instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2083>? | The molecular formula for <BB_2083> (O=C(O)c1coc(-c2cccs2)n1) is C8H5NO3S. | |
Describe the ring structures in building block <BB_2083>. | 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_2083>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2083>. | **Token:** <BB_2083>
**SMILES:** O=C(O)c1coc(-c2cccs2)n1
**Molecular Formula:** C8H5NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2084>. | Cl.Nc1ccc(Cl)nc1C(F)(F)F | |
What is the building block token for the following molecule? | Cl.Nc1ccc(Cl)nc1C(F)(F)F | <BB_2084> |
What is the molecular formula for <BB_2084>? | The molecular formula for <BB_2084> (Cl.Nc1ccc(Cl)nc1C(F)(F)F) is C6H5Cl2F3N2. | |
Describe the ring structures in building block <BB_2084>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2084>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2084>. | **Token:** <BB_2084>
**SMILES:** Cl.Nc1ccc(Cl)nc1C(F)(F)F
**Molecular Formula:** C6H5Cl2F3N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2085>. | OC(c1ccc(Cl)cc1)c1cccnc1 | |
What is the building block token for the following molecule? | OC(c1ccc(Cl)cc1)c1cccnc1 | <BB_2085> |
What is the molecular formula for <BB_2085>? | The molecular formula for <BB_2085> (OC(c1ccc(Cl)cc1)c1cccnc1) is C12H10ClNO. | |
Describe the ring structures in building block <BB_2085>. | 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_2085>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2085>. | **Token:** <BB_2085>
**SMILES:** OC(c1ccc(Cl)cc1)c1cccnc1
**Molecular Formula:** C12H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2086>. | CC1(CCCN)CC1 | |
What is the building block token for the following molecule? | CC1(CCCN)CC1 | <BB_2086> |
What is the molecular formula for <BB_2086>? | The molecular formula for <BB_2086> (CC1(CCCN)CC1) is C7H15N. | |
Describe the ring structures in building block <BB_2086>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2086>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2086>. | **Token:** <BB_2086>
**SMILES:** CC1(CCCN)CC1
**Molecular Formula:** C7H15N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2087>. | COc1ccc(C(O)c2ccc(Cl)cc2)cc1 | |
What is the building block token for the following molecule? | COc1ccc(C(O)c2ccc(Cl)cc2)cc1 | <BB_2087> |
What is the molecular formula for <BB_2087>? | The molecular formula for <BB_2087> (COc1ccc(C(O)c2ccc(Cl)cc2)cc1) is C14H13ClO2. | |
Describe the ring structures in building block <BB_2087>. | 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_2087>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2087>. | **Token:** <BB_2087>
**SMILES:** COc1ccc(C(O)c2ccc(Cl)cc2)cc1
**Molecular Formula:** C14H13ClO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2088>. | CC(C)(C)n1cc(CN)c(=O)[nH]c1=O.Cl | |
What is the building block token for the following molecule? | CC(C)(C)n1cc(CN)c(=O)[nH]c1=O.Cl | <BB_2088> |
What is the molecular formula for <BB_2088>? | The molecular formula for <BB_2088> (CC(C)(C)n1cc(CN)c(=O)[nH]c1=O.Cl) is C9H16ClN3O2. | |
Describe the ring structures in building block <BB_2088>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2088>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2088>. | **Token:** <BB_2088>
**SMILES:** CC(C)(C)n1cc(CN)c(=O)[nH]c1=O.Cl
**Molecular Formula:** C9H16ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2089>. | COC(=O)c1ccc(C)c(N)c1O | |
What is the building block token for the following molecule? | COC(=O)c1ccc(C)c(N)c1O | <BB_2089> |
What is the molecular formula for <BB_2089>? | The molecular formula for <BB_2089> (COC(=O)c1ccc(C)c(N)c1O) is C9H11NO3. | |
Describe the ring structures in building block <BB_2089>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2089>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2089>. | **Token:** <BB_2089>
**SMILES:** COC(=O)c1ccc(C)c(N)c1O
**Molecular Formula:** C9H11NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2090>. | Cl.NCCNC(=O)CC1CCCCC1 | |
What is the building block token for the following molecule? | Cl.NCCNC(=O)CC1CCCCC1 | <BB_2090> |
What is the molecular formula for <BB_2090>? | The molecular formula for <BB_2090> (Cl.NCCNC(=O)CC1CCCCC1) is C10H21ClN2O. | |
Describe the ring structures in building block <BB_2090>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2090>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2090>. | **Token:** <BB_2090>
**SMILES:** Cl.NCCNC(=O)CC1CCCCC1
**Molecular Formula:** C10H21ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2091>. | O[C@H]1C[C@@H](C(F)F)Oc2ccccc21 | |
What is the building block token for the following molecule? | O[C@H]1C[C@@H](C(F)F)Oc2ccccc21 | <BB_2091> |
What is the molecular formula for <BB_2091>? | The molecular formula for <BB_2091> (O[C@H]1C[C@@H](C(F)F)Oc2ccccc21) is C10H10F2O2. | |
Describe the ring structures in building block <BB_2091>. | 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_2091>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2091>. | **Token:** <BB_2091>
**SMILES:** O[C@H]1C[C@@H](C(F)F)Oc2ccccc21
**Molecular Formula:** C10H10F2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2092>. | CCC(=NO)c1ccc(O)cc1 | |
What is the building block token for the following molecule? | CCC(=NO)c1ccc(O)cc1 | <BB_2092> |
What is the molecular formula for <BB_2092>? | The molecular formula for <BB_2092> (CCC(=NO)c1ccc(O)cc1) is C9H11NO2. | |
Describe the ring structures in building block <BB_2092>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2092>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2092>. | **Token:** <BB_2092>
**SMILES:** CCC(=NO)c1ccc(O)cc1
**Molecular Formula:** C9H11NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2093>. | CNNC(=O)OCc1ccccc1.Cl | |
What is the building block token for the following molecule? | CNNC(=O)OCc1ccccc1.Cl | <BB_2093> |
What is the molecular formula for <BB_2093>? | The molecular formula for <BB_2093> (CNNC(=O)OCc1ccccc1.Cl) is C9H13ClN2O2. | |
Describe the ring structures in building block <BB_2093>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2093>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2093>. | **Token:** <BB_2093>
**SMILES:** CNNC(=O)OCc1ccccc1.Cl
**Molecular Formula:** C9H13ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2094>. | Cl.Clc1cc2c(cc1Br)NCCO2 | |
What is the building block token for the following molecule? | Cl.Clc1cc2c(cc1Br)NCCO2 | <BB_2094> |
What is the molecular formula for <BB_2094>? | The molecular formula for <BB_2094> (Cl.Clc1cc2c(cc1Br)NCCO2) is C8H8BrCl2NO. | |
Describe the ring structures in building block <BB_2094>. | 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_2094>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2094>. | **Token:** <BB_2094>
**SMILES:** Cl.Clc1cc2c(cc1Br)NCCO2
**Molecular Formula:** C8H8BrCl2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic 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_2095>. | CC(=O)c1cccc(-n2cnnn2)c1 | |
What is the building block token for the following molecule? | CC(=O)c1cccc(-n2cnnn2)c1 | <BB_2095> |
What is the molecular formula for <BB_2095>? | The molecular formula for <BB_2095> (CC(=O)c1cccc(-n2cnnn2)c1) is C9H8N4O. | |
Describe the ring structures in building block <BB_2095>. | 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_2095>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2095>. | **Token:** <BB_2095>
**SMILES:** CC(=O)c1cccc(-n2cnnn2)c1
**Molecular Formula:** C9H8N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2096>. | Cc1cccc2c1CS(=O)(=O)N2 | |
What is the building block token for the following molecule? | Cc1cccc2c1CS(=O)(=O)N2 | <BB_2096> |
What is the molecular formula for <BB_2096>? | The molecular formula for <BB_2096> (Cc1cccc2c1CS(=O)(=O)N2) is C8H9NO2S. | |
Describe the ring structures in building block <BB_2096>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2096>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2096>. | **Token:** <BB_2096>
**SMILES:** Cc1cccc2c1CS(=O)(=O)N2
**Molecular Formula:** C8H9NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2097>. | COc1cc(OC)c(OC)cc1C=O | |
What is the building block token for the following molecule? | COc1cc(OC)c(OC)cc1C=O | <BB_2097> |
What is the molecular formula for <BB_2097>? | The molecular formula for <BB_2097> (COc1cc(OC)c(OC)cc1C=O) is C10H12O4. | |
Describe the ring structures in building block <BB_2097>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2097>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2097>. | **Token:** <BB_2097>
**SMILES:** COc1cc(OC)c(OC)cc1C=O
**Molecular Formula:** C10H12O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2098>. | Cl.NC1(c2nncs2)CC1 | |
What is the building block token for the following molecule? | Cl.NC1(c2nncs2)CC1 | <BB_2098> |
What is the molecular formula for <BB_2098>? | The molecular formula for <BB_2098> (Cl.NC1(c2nncs2)CC1) is C5H8ClN3S. | |
Describe the ring structures in building block <BB_2098>. | 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_2098>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2098>. | **Token:** <BB_2098>
**SMILES:** Cl.NC1(c2nncs2)CC1
**Molecular Formula:** C5H8ClN3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2099>. | COC(=O)C1(CF)CC(F)(F)C1(F)F | |
What is the building block token for the following molecule? | COC(=O)C1(CF)CC(F)(F)C1(F)F | <BB_2099> |
What is the molecular formula for <BB_2099>? | The molecular formula for <BB_2099> (COC(=O)C1(CF)CC(F)(F)C1(F)F) is C7H7F5O2. | |
Describe the ring structures in building block <BB_2099>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2099>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2099>. | **Token:** <BB_2099>
**SMILES:** COC(=O)C1(CF)CC(F)(F)C1(F)F
**Molecular Formula:** C7H7F5O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) |
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