instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_400>. | CC(=O)c1cc(Br)c(C)cc1F | |
What is the building block token for the following molecule? | CC(=O)c1cc(Br)c(C)cc1F | <BB_400> |
What is the molecular formula for <BB_400>? | The molecular formula for <BB_400> (CC(=O)c1cc(Br)c(C)cc1F) is C9H8BrFO. | |
Describe the ring structures in building block <BB_400>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_400>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_400>. | **Token:** <BB_400>
**SMILES:** CC(=O)c1cc(Br)c(C)cc1F
**Molecular Formula:** C9H8BrFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_401>. | CC(=O)Nc1ccc(O)cc1F | |
What is the building block token for the following molecule? | CC(=O)Nc1ccc(O)cc1F | <BB_401> |
What is the molecular formula for <BB_401>? | The molecular formula for <BB_401> (CC(=O)Nc1ccc(O)cc1F) is C8H8FNO2. | |
Describe the ring structures in building block <BB_401>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_401>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_401>. | **Token:** <BB_401>
**SMILES:** CC(=O)Nc1ccc(O)cc1F
**Molecular Formula:** C8H8FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_402>. | CCNS(C)(=O)=O | |
What is the building block token for the following molecule? | CCNS(C)(=O)=O | <BB_402> |
What is the molecular formula for <BB_402>? | The molecular formula for <BB_402> (CCNS(C)(=O)=O) is C3H9NO2S. | |
Describe the ring structures in building block <BB_402>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_402>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_402>. | **Token:** <BB_402>
**SMILES:** CCNS(C)(=O)=O
**Molecular Formula:** C3H9NO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_403>. | C#Cc1ccnn1C1CC1(F)F | |
What is the building block token for the following molecule? | C#Cc1ccnn1C1CC1(F)F | <BB_403> |
What is the molecular formula for <BB_403>? | The molecular formula for <BB_403> (C#Cc1ccnn1C1CC1(F)F) is C8H6F2N2. | |
Describe the ring structures in building block <BB_403>. | 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_403>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_403>. | **Token:** <BB_403>
**SMILES:** C#Cc1ccnn1C1CC1(F)F
**Molecular Formula:** C8H6F2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_404>. | CC1NCCc2c(Br)ccc(F)c21.Cl | |
What is the building block token for the following molecule? | CC1NCCc2c(Br)ccc(F)c21.Cl | <BB_404> |
What is the molecular formula for <BB_404>? | The molecular formula for <BB_404> (CC1NCCc2c(Br)ccc(F)c21.Cl) is C10H12BrClFN. | |
Describe the ring structures in building block <BB_404>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_404>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_404>. | **Token:** <BB_404>
**SMILES:** CC1NCCc2c(Br)ccc(F)c21.Cl
**Molecular Formula:** C10H12BrClFN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_405>. | C[C@H]1COC[C@H]1O | |
What is the building block token for the following molecule? | C[C@H]1COC[C@H]1O | <BB_405> |
What is the molecular formula for <BB_405>? | The molecular formula for <BB_405> (C[C@H]1COC[C@H]1O) is C5H10O2. | |
Describe the ring structures in building block <BB_405>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_405>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_405>. | **Token:** <BB_405>
**SMILES:** C[C@H]1COC[C@H]1O
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_406>. | Cl.NC1(c2ccc(Br)c3ccccc23)CC1 | |
What is the building block token for the following molecule? | Cl.NC1(c2ccc(Br)c3ccccc23)CC1 | <BB_406> |
What is the molecular formula for <BB_406>? | The molecular formula for <BB_406> (Cl.NC1(c2ccc(Br)c3ccccc23)CC1) is C13H13BrClN. | |
Describe the ring structures in building block <BB_406>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_406>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_406>. | **Token:** <BB_406>
**SMILES:** Cl.NC1(c2ccc(Br)c3ccccc23)CC1
**Molecular Formula:** C13H13BrClN
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_407>. | CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl | |
What is the building block token for the following molecule? | CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl | <BB_407> |
What is the molecular formula for <BB_407>? | The molecular formula for <BB_407> (CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl) is C12H20Cl2N4O. | |
Describe the ring structures in building block <BB_407>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_407>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_407>. | **Token:** <BB_407>
**SMILES:** CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl
**Molecular Formula:** C12H20Cl2N4O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_408>. | Cc1ccc(C(C)N=C=O)s1 | |
What is the building block token for the following molecule? | Cc1ccc(C(C)N=C=O)s1 | <BB_408> |
What is the molecular formula for <BB_408>? | The molecular formula for <BB_408> (Cc1ccc(C(C)N=C=O)s1) is C8H9NOS. | |
Describe the ring structures in building block <BB_408>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_408>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_408>. | **Token:** <BB_408>
**SMILES:** Cc1ccc(C(C)N=C=O)s1
**Molecular Formula:** C8H9NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_409>. | CC(C)n1ccnc1Br | |
What is the building block token for the following molecule? | CC(C)n1ccnc1Br | <BB_409> |
What is the molecular formula for <BB_409>? | The molecular formula for <BB_409> (CC(C)n1ccnc1Br) is C6H9BrN2. | |
Describe the ring structures in building block <BB_409>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_409>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_409>. | **Token:** <BB_409>
**SMILES:** CC(C)n1ccnc1Br
**Molecular Formula:** C6H9BrN2
**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_410>. | O=C(O)c1c(Br)cc(Br)cc1Br | |
What is the building block token for the following molecule? | O=C(O)c1c(Br)cc(Br)cc1Br | <BB_410> |
What is the molecular formula for <BB_410>? | The molecular formula for <BB_410> (O=C(O)c1c(Br)cc(Br)cc1Br) is C7H3Br3O2. | |
Describe the ring structures in building block <BB_410>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_410>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_410>. | **Token:** <BB_410>
**SMILES:** O=C(O)c1c(Br)cc(Br)cc1Br
**Molecular Formula:** C7H3Br3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_411>. | Cl.FC1(F)CCC2(CC1)COCCN2 | |
What is the building block token for the following molecule? | Cl.FC1(F)CCC2(CC1)COCCN2 | <BB_411> |
What is the molecular formula for <BB_411>? | The molecular formula for <BB_411> (Cl.FC1(F)CCC2(CC1)COCCN2) is C9H16ClF2NO. | |
Describe the ring structures in building block <BB_411>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_411>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_411>. | **Token:** <BB_411>
**SMILES:** Cl.FC1(F)CCC2(CC1)COCCN2
**Molecular Formula:** C9H16ClF2NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_412>. | Fc1cc(F)c2[nH]c(Cl)nc2c1 | |
What is the building block token for the following molecule? | Fc1cc(F)c2[nH]c(Cl)nc2c1 | <BB_412> |
What is the molecular formula for <BB_412>? | The molecular formula for <BB_412> (Fc1cc(F)c2[nH]c(Cl)nc2c1) is C7H3ClF2N2. | |
Describe the ring structures in building block <BB_412>. | 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_412>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_412>. | **Token:** <BB_412>
**SMILES:** Fc1cc(F)c2[nH]c(Cl)nc2c1
**Molecular Formula:** C7H3ClF2N2
**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_413>. | O=C1OC(CI)CC12CCCC2 | |
What is the building block token for the following molecule? | O=C1OC(CI)CC12CCCC2 | <BB_413> |
What is the molecular formula for <BB_413>? | The molecular formula for <BB_413> (O=C1OC(CI)CC12CCCC2) is C9H13IO2. | |
Describe the ring structures in building block <BB_413>. | 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_413>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_413>. | **Token:** <BB_413>
**SMILES:** O=C1OC(CI)CC12CCCC2
**Molecular Formula:** C9H13IO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_414>. | CC(C=O)=Cc1ccccc1C(F)(F)F | |
What is the building block token for the following molecule? | CC(C=O)=Cc1ccccc1C(F)(F)F | <BB_414> |
What is the molecular formula for <BB_414>? | The molecular formula for <BB_414> (CC(C=O)=Cc1ccccc1C(F)(F)F) is C11H9F3O. | |
Describe the ring structures in building block <BB_414>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_414>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_414>. | **Token:** <BB_414>
**SMILES:** CC(C=O)=Cc1ccccc1C(F)(F)F
**Molecular Formula:** C11H9F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_415>. | CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl | |
What is the building block token for the following molecule? | CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl | <BB_415> |
What is the molecular formula for <BB_415>? | The molecular formula for <BB_415> (CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl) is C11H23BClNO2. | |
Describe the ring structures in building block <BB_415>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_415>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_415>. | **Token:** <BB_415>
**SMILES:** CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl
**Molecular Formula:** C11H23BClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_416>. | CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1 | |
What is the building block token for the following molecule? | CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1 | <BB_416> |
What is the molecular formula for <BB_416>? | The molecular formula for <BB_416> (CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1) is C13H12N4O2. | |
Describe the ring structures in building block <BB_416>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3. |
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