instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2100>. | C=C(CC1CC1)C(=O)OC | |
What is the building block token for the following molecule? | C=C(CC1CC1)C(=O)OC | <BB_2100> |
What is the molecular formula for <BB_2100>? | The molecular formula for <BB_2100> (C=C(CC1CC1)C(=O)OC) is C8H12O2. | |
Describe the ring structures in building block <BB_2100>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2100>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2100>. | **Token:** <BB_2100>
**SMILES:** C=C(CC1CC1)C(=O)OC
**Molecular Formula:** C8H12O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2101>. | O=Cc1ccc(-c2ccccc2)cc1O | |
What is the building block token for the following molecule? | O=Cc1ccc(-c2ccccc2)cc1O | <BB_2101> |
What is the molecular formula for <BB_2101>? | The molecular formula for <BB_2101> (O=Cc1ccc(-c2ccccc2)cc1O) is C13H10O2. | |
Describe the ring structures in building block <BB_2101>. | 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_2101>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2101>. | **Token:** <BB_2101>
**SMILES:** O=Cc1ccc(-c2ccccc2)cc1O
**Molecular Formula:** C13H10O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2102>. | Cl.O=C1CC2(CCNCC2)C1 | |
What is the building block token for the following molecule? | Cl.O=C1CC2(CCNCC2)C1 | <BB_2102> |
What is the molecular formula for <BB_2102>? | The molecular formula for <BB_2102> (Cl.O=C1CC2(CCNCC2)C1) is C8H14ClNO. | |
Describe the ring structures in building block <BB_2102>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2102>. | The molecule contains the following groups: Secondary Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2102>. | **Token:** <BB_2102>
**SMILES:** Cl.O=C1CC2(CCNCC2)C1
**Molecular Formula:** C8H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2103>. | CC(C)(C)[C@@H]1C[C@H](Cl)C(=O)N1 | |
What is the building block token for the following molecule? | CC(C)(C)[C@@H]1C[C@H](Cl)C(=O)N1 | <BB_2103> |
What is the molecular formula for <BB_2103>? | The molecular formula for <BB_2103> (CC(C)(C)[C@@H]1C[C@H](Cl)C(=O)N1) is C8H14ClNO. | |
Describe the ring structures in building block <BB_2103>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2103>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2103>. | **Token:** <BB_2103>
**SMILES:** CC(C)(C)[C@@H]1C[C@H](Cl)C(=O)N1
**Molecular Formula:** C8H14ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2104>. | C#CCC(C)Br | |
What is the building block token for the following molecule? | C#CCC(C)Br | <BB_2104> |
What is the molecular formula for <BB_2104>? | The molecular formula for <BB_2104> (C#CCC(C)Br) is C5H7Br. | |
Describe the ring structures in building block <BB_2104>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2104>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2104>. | **Token:** <BB_2104>
**SMILES:** C#CCC(C)Br
**Molecular Formula:** C5H7Br
**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_2105>. | Cc1cc(C#N)cc(C)c1CO | |
What is the building block token for the following molecule? | Cc1cc(C#N)cc(C)c1CO | <BB_2105> |
What is the molecular formula for <BB_2105>? | The molecular formula for <BB_2105> (Cc1cc(C#N)cc(C)c1CO) is C10H11NO. | |
Describe the ring structures in building block <BB_2105>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2105>. | The molecule contains the following groups: Alcohol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2105>. | **Token:** <BB_2105>
**SMILES:** Cc1cc(C#N)cc(C)c1CO
**Molecular Formula:** C10H11NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Nitrile | |
Provide the SMILES representation for the building block token <BB_2106>. | CNC(=O)C1(CN)CC1.Cl | |
What is the building block token for the following molecule? | CNC(=O)C1(CN)CC1.Cl | <BB_2106> |
What is the molecular formula for <BB_2106>? | The molecular formula for <BB_2106> (CNC(=O)C1(CN)CC1.Cl) is C6H13ClN2O. | |
Describe the ring structures in building block <BB_2106>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2106>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2106>. | **Token:** <BB_2106>
**SMILES:** CNC(=O)C1(CN)CC1.Cl
**Molecular Formula:** C6H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2107>. | CC(N)(C(=O)O)c1cccnc1.Cl.Cl | |
What is the building block token for the following molecule? | CC(N)(C(=O)O)c1cccnc1.Cl.Cl | <BB_2107> |
What is the molecular formula for <BB_2107>? | The molecular formula for <BB_2107> (CC(N)(C(=O)O)c1cccnc1.Cl.Cl) is C8H12Cl2N2O2. | |
Describe the ring structures in building block <BB_2107>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2107>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2107>. | **Token:** <BB_2107>
**SMILES:** CC(N)(C(=O)O)c1cccnc1.Cl.Cl
**Molecular Formula:** C8H12Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2108>. | Nc1ccsc1-c1cccnc1 | |
What is the building block token for the following molecule? | Nc1ccsc1-c1cccnc1 | <BB_2108> |
What is the molecular formula for <BB_2108>? | The molecular formula for <BB_2108> (Nc1ccsc1-c1cccnc1) is C9H8N2S. | |
Describe the ring structures in building block <BB_2108>. | 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_2108>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2108>. | **Token:** <BB_2108>
**SMILES:** Nc1ccsc1-c1cccnc1
**Molecular Formula:** C9H8N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2109>. | N#Cc1c(N)ccc2ncccc12 | |
What is the building block token for the following molecule? | N#Cc1c(N)ccc2ncccc12 | <BB_2109> |
What is the molecular formula for <BB_2109>? | The molecular formula for <BB_2109> (N#Cc1c(N)ccc2ncccc12) is C10H7N3. | |
Describe the ring structures in building block <BB_2109>. | 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_2109>. | The molecule contains the following groups: Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2109>. | **Token:** <BB_2109>
**SMILES:** N#Cc1c(N)ccc2ncccc12
**Molecular Formula:** C10H7N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_2110>. | COc1ccc(CC2(N)CC2)cc1OC.Cl | |
What is the building block token for the following molecule? | COc1ccc(CC2(N)CC2)cc1OC.Cl | <BB_2110> |
What is the molecular formula for <BB_2110>? | The molecular formula for <BB_2110> (COc1ccc(CC2(N)CC2)cc1OC.Cl) is C12H18ClNO2. | |
Describe the ring structures in building block <BB_2110>. | 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_2110>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2110>. | **Token:** <BB_2110>
**SMILES:** COc1ccc(CC2(N)CC2)cc1OC.Cl
**Molecular Formula:** C12H18ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2111>. | NCCOc1cc(Cl)ccn1 | |
What is the building block token for the following molecule? | NCCOc1cc(Cl)ccn1 | <BB_2111> |
What is the molecular formula for <BB_2111>? | The molecular formula for <BB_2111> (NCCOc1cc(Cl)ccn1) is C7H9ClN2O. | |
Describe the ring structures in building block <BB_2111>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2111>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2111>. | **Token:** <BB_2111>
**SMILES:** NCCOc1cc(Cl)ccn1
**Molecular Formula:** C7H9ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2112>. | CC(C)c1cc(I)ccn1 | |
What is the building block token for the following molecule? | CC(C)c1cc(I)ccn1 | <BB_2112> |
What is the molecular formula for <BB_2112>? | The molecular formula for <BB_2112> (CC(C)c1cc(I)ccn1) is C8H10IN. | |
Describe the ring structures in building block <BB_2112>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2112>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2112>. | **Token:** <BB_2112>
**SMILES:** CC(C)c1cc(I)ccn1
**Molecular Formula:** C8H10IN
**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_2113>. | CC(=O)c1ccc(Cl)c(N)c1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc(Cl)c(N)c1 | <BB_2113> |
What is the molecular formula for <BB_2113>? | The molecular formula for <BB_2113> (CC(=O)c1ccc(Cl)c(N)c1) is C8H8ClNO. | |
Describe the ring structures in building block <BB_2113>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2113>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2113>. | **Token:** <BB_2113>
**SMILES:** CC(=O)c1ccc(Cl)c(N)c1
**Molecular Formula:** C8H8ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2114>. | CC(=O)OCC(C)(C)CC(=O)O | |
What is the building block token for the following molecule? | CC(=O)OCC(C)(C)CC(=O)O | <BB_2114> |
What is the molecular formula for <BB_2114>? | The molecular formula for <BB_2114> (CC(=O)OCC(C)(C)CC(=O)O) is C8H14O4. | |
Describe the ring structures in building block <BB_2114>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2114>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2114>. | **Token:** <BB_2114>
**SMILES:** CC(=O)OCC(C)(C)CC(=O)O
**Molecular Formula:** C8H14O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2115>. | Fc1nc(F)c(F)c(F)c1F | |
What is the building block token for the following molecule? | Fc1nc(F)c(F)c(F)c1F | <BB_2115> |
What is the molecular formula for <BB_2115>? | The molecular formula for <BB_2115> (Fc1nc(F)c(F)c(F)c1F) is C5F5N. | |
Describe the ring structures in building block <BB_2115>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2115>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2115>. | **Token:** <BB_2115>
**SMILES:** Fc1nc(F)c(F)c(F)c1F
**Molecular Formula:** C5F5N
**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_2116>. | CC1C(CO)CCCN1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CC1C(CO)CCCN1C(=O)OC(C)(C)C | <BB_2116> |
What is the molecular formula for <BB_2116>? | The molecular formula for <BB_2116> (CC1C(CO)CCCN1C(=O)OC(C)(C)C) is C12H23NO3. | |
Describe the ring structures in building block <BB_2116>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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