instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_200>. | CCCC[Sn](Cl)(CCCC)CCCC | |
What is the building block token for the following molecule? | CCCC[Sn](Cl)(CCCC)CCCC | <BB_200> |
What is the molecular formula for <BB_200>? | The molecular formula for <BB_200> (CCCC[Sn](Cl)(CCCC)CCCC) is C12H27ClSn. | |
Describe the ring structures in building block <BB_200>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_200>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_200>. | **Token:** <BB_200>
**SMILES:** CCCC[Sn](Cl)(CCCC)CCCC
**Molecular Formula:** C12H27ClSn
**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_201>. | CNC(=O)c1ccc(N)c(Cl)c1 | |
What is the building block token for the following molecule? | CNC(=O)c1ccc(N)c(Cl)c1 | <BB_201> |
What is the molecular formula for <BB_201>? | The molecular formula for <BB_201> (CNC(=O)c1ccc(N)c(Cl)c1) is C8H9ClN2O. | |
Describe the ring structures in building block <BB_201>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_201>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_201>. | **Token:** <BB_201>
**SMILES:** CNC(=O)c1ccc(N)c(Cl)c1
**Molecular Formula:** C8H9ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_202>. | Cl.Cl.Fc1ccc(-n2cnc3c2CCNC3)cc1 | |
What is the building block token for the following molecule? | Cl.Cl.Fc1ccc(-n2cnc3c2CCNC3)cc1 | <BB_202> |
What is the molecular formula for <BB_202>? | The molecular formula for <BB_202> (Cl.Cl.Fc1ccc(-n2cnc3c2CCNC3)cc1) is C12H14Cl2FN3. | |
Describe the ring structures in building block <BB_202>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_202>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_202>. | **Token:** <BB_202>
**SMILES:** Cl.Cl.Fc1ccc(-n2cnc3c2CCNC3)cc1
**Molecular Formula:** C12H14Cl2FN3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, 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_203>. | Cl.O=C1CCCC[C@]1(NCCO)c1ccccc1 | |
What is the building block token for the following molecule? | Cl.O=C1CCCC[C@]1(NCCO)c1ccccc1 | <BB_203> |
What is the molecular formula for <BB_203>? | The molecular formula for <BB_203> (Cl.O=C1CCCC[C@]1(NCCO)c1ccccc1) is C14H20ClNO2. | |
Describe the ring structures in building block <BB_203>. | 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_203>. | The molecule contains the following groups: Secondary Amine, Ketone, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_203>. | **Token:** <BB_203>
**SMILES:** Cl.O=C1CCCC[C@]1(NCCO)c1ccccc1
**Molecular Formula:** C14H20ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ketone, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_204>. | COc1cc(CN2CCNCC2)cc(OC)c1 | |
What is the building block token for the following molecule? | COc1cc(CN2CCNCC2)cc(OC)c1 | <BB_204> |
What is the molecular formula for <BB_204>? | The molecular formula for <BB_204> (COc1cc(CN2CCNCC2)cc(OC)c1) is C13H20N2O2. | |
Describe the ring structures in building block <BB_204>. | 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_204>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_204>. | **Token:** <BB_204>
**SMILES:** COc1cc(CN2CCNCC2)cc(OC)c1
**Molecular Formula:** C13H20N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_205>. | OCc1ccc(C(F)F)cn1 | |
What is the building block token for the following molecule? | OCc1ccc(C(F)F)cn1 | <BB_205> |
What is the molecular formula for <BB_205>? | The molecular formula for <BB_205> (OCc1ccc(C(F)F)cn1) is C7H7F2NO. | |
Describe the ring structures in building block <BB_205>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_205>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_205>. | **Token:** <BB_205>
**SMILES:** OCc1ccc(C(F)F)cn1
**Molecular Formula:** C7H7F2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_206>. | NCc1cccc(CN2CCOCC2)c1 | |
What is the building block token for the following molecule? | NCc1cccc(CN2CCOCC2)c1 | <BB_206> |
What is the molecular formula for <BB_206>? | The molecular formula for <BB_206> (NCc1cccc(CN2CCOCC2)c1) is C12H18N2O. | |
Describe the ring structures in building block <BB_206>. | 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_206>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_206>. | **Token:** <BB_206>
**SMILES:** NCc1cccc(CN2CCOCC2)c1
**Molecular Formula:** C12H18N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_207>. | O=CC12CC3CC(CC(C3)C1)C2 | |
What is the building block token for the following molecule? | O=CC12CC3CC(CC(C3)C1)C2 | <BB_207> |
What is the molecular formula for <BB_207>? | The molecular formula for <BB_207> (O=CC12CC3CC(CC(C3)C1)C2) is C11H16O. | |
Describe the ring structures in building block <BB_207>. | 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_207>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_207>. | **Token:** <BB_207>
**SMILES:** O=CC12CC3CC(CC(C3)C1)C2
**Molecular Formula:** C11H16O
**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:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_208>. | O=CC1CCCCO1 | |
What is the building block token for the following molecule? | O=CC1CCCCO1 | <BB_208> |
What is the molecular formula for <BB_208>? | The molecular formula for <BB_208> (O=CC1CCCCO1) is C6H10O2. | |
Describe the ring structures in building block <BB_208>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_208>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_208>. | **Token:** <BB_208>
**SMILES:** O=CC1CCCCO1
**Molecular Formula:** C6H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_209>. | CC(C)Oc1ccc(CNC(=O)CCl)cc1 | |
What is the building block token for the following molecule? | CC(C)Oc1ccc(CNC(=O)CCl)cc1 | <BB_209> |
What is the molecular formula for <BB_209>? | The molecular formula for <BB_209> (CC(C)Oc1ccc(CNC(=O)CCl)cc1) is C12H16ClNO2. | |
Describe the ring structures in building block <BB_209>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_209>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_209>. | **Token:** <BB_209>
**SMILES:** CC(C)Oc1ccc(CNC(=O)CCl)cc1
**Molecular Formula:** C12H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_210>. | CNCc1nc(C(F)(F)F)cs1 | |
What is the building block token for the following molecule? | CNCc1nc(C(F)(F)F)cs1 | <BB_210> |
What is the molecular formula for <BB_210>? | The molecular formula for <BB_210> (CNCc1nc(C(F)(F)F)cs1) is C6H7F3N2S. | |
Describe the ring structures in building block <BB_210>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_210>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_210>. | **Token:** <BB_210>
**SMILES:** CNCc1nc(C(F)(F)F)cs1
**Molecular Formula:** C6H7F3N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_211>. | Oc1cccc(Cl)c1O | |
What is the building block token for the following molecule? | Oc1cccc(Cl)c1O | <BB_211> |
What is the molecular formula for <BB_211>? | The molecular formula for <BB_211> (Oc1cccc(Cl)c1O) is C6H5ClO2. | |
Describe the ring structures in building block <BB_211>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_211>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_211>. | **Token:** <BB_211>
**SMILES:** Oc1cccc(Cl)c1O
**Molecular Formula:** C6H5ClO2
**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_212>. | Fc1c(I)cccc1OC1CC1 | |
What is the building block token for the following molecule? | Fc1c(I)cccc1OC1CC1 | <BB_212> |
What is the molecular formula for <BB_212>? | The molecular formula for <BB_212> (Fc1c(I)cccc1OC1CC1) is C9H8FIO. | |
Describe the ring structures in building block <BB_212>. | 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_212>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_212>. | **Token:** <BB_212>
**SMILES:** Fc1c(I)cccc1OC1CC1
**Molecular Formula:** C9H8FIO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_213>. | CSc1cnn(C)c1C(=O)O | |
What is the building block token for the following molecule? | CSc1cnn(C)c1C(=O)O | <BB_213> |
What is the molecular formula for <BB_213>? | The molecular formula for <BB_213> (CSc1cnn(C)c1C(=O)O) is C6H8N2O2S. | |
Describe the ring structures in building block <BB_213>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_213>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_213>. | **Token:** <BB_213>
**SMILES:** CSc1cnn(C)c1C(=O)O
**Molecular Formula:** C6H8N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_214>. | OCc1cscc1F | |
What is the building block token for the following molecule? | OCc1cscc1F | <BB_214> |
What is the molecular formula for <BB_214>? | The molecular formula for <BB_214> (OCc1cscc1F) is C5H5FOS. | |
Describe the ring structures in building block <BB_214>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_214>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_214>. | **Token:** <BB_214>
**SMILES:** OCc1cscc1F
**Molecular Formula:** C5H5FOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_215>. | Cc1cc(C(F)(F)F)nc2sc(C#N)c(N)c12 | |
What is the building block token for the following molecule? | Cc1cc(C(F)(F)F)nc2sc(C#N)c(N)c12 | <BB_215> |
What is the molecular formula for <BB_215>? | The molecular formula for <BB_215> (Cc1cc(C(F)(F)F)nc2sc(C#N)c(N)c12) is C10H6F3N3S. | |
Describe the ring structures in building block <BB_215>. | 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_215>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_215>. | **Token:** <BB_215>
**SMILES:** Cc1cc(C(F)(F)F)nc2sc(C#N)c(N)c12
**Molecular Formula:** C10H6F3N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_216>. | Nc1nc2cc(Br)cc(Cl)c2o1 | |
What is the building block token for the following molecule? | Nc1nc2cc(Br)cc(Cl)c2o1 | <BB_216> |
What is the molecular formula for <BB_216>? | The molecular formula for <BB_216> (Nc1nc2cc(Br)cc(Cl)c2o1) is C7H4BrClN2O. | |
Describe the ring structures in building block <BB_216>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. |
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