instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9183>? | The molecular formula for <BB_9183> (Cl.FC12CCC(CN1)C2) is C6H11ClFN. | |
Describe the ring structures in building block <BB_9183>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9183>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9183>. | **Token:** <BB_9183>
**SMILES:** Cl.FC12CCC(CN1)C2
**Molecular Formula:** C6H11ClFN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9184>. | N#CC1CC12CCC(=O)CC2 | |
What is the building block token for the following molecule? | N#CC1CC12CCC(=O)CC2 | <BB_9184> |
What is the molecular formula for <BB_9184>? | The molecular formula for <BB_9184> (N#CC1CC12CCC(=O)CC2) is C9H11NO. | |
Describe the ring structures in building block <BB_9184>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9184>. | The molecule contains the following groups: Ketone, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9184>. | **Token:** <BB_9184>
**SMILES:** N#CC1CC12CCC(=O)CC2
**Molecular Formula:** C9H11NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Ketone, Nitrile | |
Provide the SMILES representation for the building block token <BB_9185>. | O=Cc1nccc2ccc(Br)cc12 | |
What is the building block token for the following molecule? | O=Cc1nccc2ccc(Br)cc12 | <BB_9185> |
What is the molecular formula for <BB_9185>? | The molecular formula for <BB_9185> (O=Cc1nccc2ccc(Br)cc12) is C10H6BrNO. | |
Describe the ring structures in building block <BB_9185>. | 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_9185>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9185>. | **Token:** <BB_9185>
**SMILES:** O=Cc1nccc2ccc(Br)cc12
**Molecular Formula:** C10H6BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9186>. | COc1ccc(C(C)C)cc1O | |
What is the building block token for the following molecule? | COc1ccc(C(C)C)cc1O | <BB_9186> |
What is the molecular formula for <BB_9186>? | The molecular formula for <BB_9186> (COc1ccc(C(C)C)cc1O) is C10H14O2. | |
Describe the ring structures in building block <BB_9186>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9186>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9186>. | **Token:** <BB_9186>
**SMILES:** COc1ccc(C(C)C)cc1O
**Molecular Formula:** C10H14O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9187>. | CC(O)c1ncc(C=O)s1 | |
What is the building block token for the following molecule? | CC(O)c1ncc(C=O)s1 | <BB_9187> |
What is the molecular formula for <BB_9187>? | The molecular formula for <BB_9187> (CC(O)c1ncc(C=O)s1) is C6H7NO2S. | |
Describe the ring structures in building block <BB_9187>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9187>. | The molecule contains the following groups: Aldehyde, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9187>. | **Token:** <BB_9187>
**SMILES:** CC(O)c1ncc(C=O)s1
**Molecular Formula:** C6H7NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Alcohol | |
Provide the SMILES representation for the building block token <BB_9188>. | BrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3 | |
What is the building block token for the following molecule? | BrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3 | <BB_9188> |
What is the molecular formula for <BB_9188>? | The molecular formula for <BB_9188> (BrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3) is C10H12Br4. | |
Describe the ring structures in building block <BB_9188>. | The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9188>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9188>. | **Token:** <BB_9188>
**SMILES:** BrC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3
**Molecular Formula:** C10H12Br4
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9189>. | c1nc(-c2nnn[nH]2)cs1 | |
What is the building block token for the following molecule? | c1nc(-c2nnn[nH]2)cs1 | <BB_9189> |
What is the molecular formula for <BB_9189>? | The molecular formula for <BB_9189> (c1nc(-c2nnn[nH]2)cs1) is C4H3N5S. | |
Describe the ring structures in building block <BB_9189>. | 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_9189>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9189>. | **Token:** <BB_9189>
**SMILES:** c1nc(-c2nnn[nH]2)cs1
**Molecular Formula:** C4H3N5S
**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_9190>. | O=C(O)[C@H]1C[C@H]1C(=O)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)[C@H]1C[C@H]1C(=O)c1ccccc1 | <BB_9190> |
What is the molecular formula for <BB_9190>? | The molecular formula for <BB_9190> (O=C(O)[C@H]1C[C@H]1C(=O)c1ccccc1) is C11H10O3. | |
Describe the ring structures in building block <BB_9190>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9190>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9190>. | **Token:** <BB_9190>
**SMILES:** O=C(O)[C@H]1C[C@H]1C(=O)c1ccccc1
**Molecular Formula:** C11H10O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_9191>. | C=CCC(C)(C(=O)[O-])N(C)C.[K+] | |
What is the building block token for the following molecule? | C=CCC(C)(C(=O)[O-])N(C)C.[K+] | <BB_9191> |
What is the molecular formula for <BB_9191>? | The molecular formula for <BB_9191> (C=CCC(C)(C(=O)[O-])N(C)C.[K+]) is C8H14KNO2. | |
Describe the ring structures in building block <BB_9191>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9191>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9191>. | **Token:** <BB_9191>
**SMILES:** C=CCC(C)(C(=O)[O-])N(C)C.[K+]
**Molecular Formula:** C8H14KNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9192>. | Oc1ccc(F)nc1C(F)(F)F | |
What is the building block token for the following molecule? | Oc1ccc(F)nc1C(F)(F)F | <BB_9192> |
What is the molecular formula for <BB_9192>? | The molecular formula for <BB_9192> (Oc1ccc(F)nc1C(F)(F)F) is C6H3F4NO. | |
Describe the ring structures in building block <BB_9192>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9192>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9192>. | **Token:** <BB_9192>
**SMILES:** Oc1ccc(F)nc1C(F)(F)F
**Molecular Formula:** C6H3F4NO
**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_9193>. | COc1cc2[nH]nnc2cc1C(=O)O | |
What is the building block token for the following molecule? | COc1cc2[nH]nnc2cc1C(=O)O | <BB_9193> |
What is the molecular formula for <BB_9193>? | The molecular formula for <BB_9193> (COc1cc2[nH]nnc2cc1C(=O)O) is C8H7N3O3. | |
Describe the ring structures in building block <BB_9193>. | 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_9193>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9193>. | **Token:** <BB_9193>
**SMILES:** COc1cc2[nH]nnc2cc1C(=O)O
**Molecular Formula:** C8H7N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9194>. | O=C(O)c1ccc(OC2CC2)c(F)n1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(OC2CC2)c(F)n1 | <BB_9194> |
What is the molecular formula for <BB_9194>? | The molecular formula for <BB_9194> (O=C(O)c1ccc(OC2CC2)c(F)n1) is C9H8FNO3. | |
Describe the ring structures in building block <BB_9194>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9194>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9194>. | **Token:** <BB_9194>
**SMILES:** O=C(O)c1ccc(OC2CC2)c(F)n1
**Molecular Formula:** C9H8FNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9195>. | C=CC(=O)N[C@@H](C)C(=O)O | |
What is the building block token for the following molecule? | C=CC(=O)N[C@@H](C)C(=O)O | <BB_9195> |
What is the molecular formula for <BB_9195>? | The molecular formula for <BB_9195> (C=CC(=O)N[C@@H](C)C(=O)O) is C6H9NO3. | |
Describe the ring structures in building block <BB_9195>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9195>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9195>. | **Token:** <BB_9195>
**SMILES:** C=CC(=O)N[C@@H](C)C(=O)O
**Molecular Formula:** C6H9NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9196>. | CC1CCC(=O)Cc2ccccc21 | |
What is the building block token for the following molecule? | CC1CCC(=O)Cc2ccccc21 | <BB_9196> |
What is the molecular formula for <BB_9196>? | The molecular formula for <BB_9196> (CC1CCC(=O)Cc2ccccc21) is C12H14O. | |
Describe the ring structures in building block <BB_9196>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9196>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9196>. | **Token:** <BB_9196>
**SMILES:** CC1CCC(=O)Cc2ccccc21
**Molecular Formula:** C12H14O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9197>. | COC(=O)CC[C@@H](N)C(C)C.Cl | |
What is the building block token for the following molecule? | COC(=O)CC[C@@H](N)C(C)C.Cl | <BB_9197> |
What is the molecular formula for <BB_9197>? | The molecular formula for <BB_9197> (COC(=O)CC[C@@H](N)C(C)C.Cl) is C8H18ClNO2. | |
Describe the ring structures in building block <BB_9197>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9197>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9197>. | **Token:** <BB_9197>
**SMILES:** COC(=O)CC[C@@H](N)C(C)C.Cl
**Molecular Formula:** C8H18ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9198>. | OB(O)c1cccc2c1CCCC2 | |
What is the building block token for the following molecule? | OB(O)c1cccc2c1CCCC2 | <BB_9198> |
What is the molecular formula for <BB_9198>? | The molecular formula for <BB_9198> (OB(O)c1cccc2c1CCCC2) is C10H13BO2. | |
Describe the ring structures in building block <BB_9198>. | 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_9198>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9198>. | **Token:** <BB_9198>
**SMILES:** OB(O)c1cccc2c1CCCC2
**Molecular Formula:** C10H13BO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9199>. | COc1ccc(S(=O)(=O)Cl)cc1C(=O)O | |
What is the building block token for the following molecule? | COc1ccc(S(=O)(=O)Cl)cc1C(=O)O | <BB_9199> |
What is the molecular formula for <BB_9199>? | The molecular formula for <BB_9199> (COc1ccc(S(=O)(=O)Cl)cc1C(=O)O) is C8H7ClO5S. | |
Describe the ring structures in building block <BB_9199>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9199>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9199>. | **Token:** <BB_9199>
**SMILES:** COc1ccc(S(=O)(=O)Cl)cc1C(=O)O
**Molecular Formula:** C8H7ClO5S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) |
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