instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1933>? | The molecular formula for <BB_1933> (CCOC1CCCNC1) is C7H15NO. | |
Describe the ring structures in building block <BB_1933>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1933>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1933>. | **Token:** <BB_1933>
**SMILES:** CCOC1CCCNC1
**Molecular Formula:** C7H15NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1934>. | Cc1cc(C(=O)O)c(C)n1Cc1ccncc1 | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)c(C)n1Cc1ccncc1 | <BB_1934> |
What is the molecular formula for <BB_1934>? | The molecular formula for <BB_1934> (Cc1cc(C(=O)O)c(C)n1Cc1ccncc1) is C13H14N2O2. | |
Describe the ring structures in building block <BB_1934>. | 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_1934>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1934>. | **Token:** <BB_1934>
**SMILES:** Cc1cc(C(=O)O)c(C)n1Cc1ccncc1
**Molecular Formula:** C13H14N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1935>. | Nc1ccc(N2CCCS2(=O)=O)cc1 | |
What is the building block token for the following molecule? | Nc1ccc(N2CCCS2(=O)=O)cc1 | <BB_1935> |
What is the molecular formula for <BB_1935>? | The molecular formula for <BB_1935> (Nc1ccc(N2CCCS2(=O)=O)cc1) is C9H12N2O2S. | |
Describe the ring structures in building block <BB_1935>. | 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_1935>. | The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1935>. | **Token:** <BB_1935>
**SMILES:** Nc1ccc(N2CCCS2(=O)=O)cc1
**Molecular Formula:** C9H12N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1936>. | CC(C)(C)c1cc(Cl)nc(N)n1 | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(Cl)nc(N)n1 | <BB_1936> |
What is the molecular formula for <BB_1936>? | The molecular formula for <BB_1936> (CC(C)(C)c1cc(Cl)nc(N)n1) is C8H12ClN3. | |
Describe the ring structures in building block <BB_1936>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1936>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1936>. | **Token:** <BB_1936>
**SMILES:** CC(C)(C)c1cc(Cl)nc(N)n1
**Molecular Formula:** C8H12ClN3
**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_1937>. | O=C(O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 | |
What is the building block token for the following molecule? | O=C(O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 | <BB_1937> |
What is the molecular formula for <BB_1937>? | The molecular formula for <BB_1937> (O=C(O)c1cn(-c2cccc(C(F)(F)F)c2)nn1) is C10H6F3N3O2. | |
Describe the ring structures in building block <BB_1937>. | 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_1937>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1937>. | **Token:** <BB_1937>
**SMILES:** O=C(O)c1cn(-c2cccc(C(F)(F)F)c2)nn1
**Molecular Formula:** C10H6F3N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_1938>. | COC(=O)C1=CCCC1(C)C | |
What is the building block token for the following molecule? | COC(=O)C1=CCCC1(C)C | <BB_1938> |
What is the molecular formula for <BB_1938>? | The molecular formula for <BB_1938> (COC(=O)C1=CCCC1(C)C) is C9H14O2. | |
Describe the ring structures in building block <BB_1938>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1938>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1938>. | **Token:** <BB_1938>
**SMILES:** COC(=O)C1=CCCC1(C)C
**Molecular Formula:** C9H14O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1939>. | CS(C)(=O)=NC(=O)C(=O)O | |
What is the building block token for the following molecule? | CS(C)(=O)=NC(=O)C(=O)O | <BB_1939> |
What is the molecular formula for <BB_1939>? | The molecular formula for <BB_1939> (CS(C)(=O)=NC(=O)C(=O)O) is C4H7NO4S. | |
Describe the ring structures in building block <BB_1939>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1939>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1939>. | **Token:** <BB_1939>
**SMILES:** CS(C)(=O)=NC(=O)C(=O)O
**Molecular Formula:** C4H7NO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1940>. | CCN(CC)C(=O)CS | |
What is the building block token for the following molecule? | CCN(CC)C(=O)CS | <BB_1940> |
What is the molecular formula for <BB_1940>? | The molecular formula for <BB_1940> (CCN(CC)C(=O)CS) is C6H13NOS. | |
Describe the ring structures in building block <BB_1940>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1940>. | The molecule contains the following groups: Amide, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1940>. | **Token:** <BB_1940>
**SMILES:** CCN(CC)C(=O)CS
**Molecular Formula:** C6H13NOS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Thiol | |
Provide the SMILES representation for the building block token <BB_1941>. | CCN1C(=C2C=NN(C)C2=N)Nc2ccccc21 | |
What is the building block token for the following molecule? | CCN1C(=C2C=NN(C)C2=N)Nc2ccccc21 | <BB_1941> |
What is the molecular formula for <BB_1941>? | The molecular formula for <BB_1941> (CCN1C(=C2C=NN(C)C2=N)Nc2ccccc21) is C13H15N5. | |
Describe the ring structures in building block <BB_1941>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1941>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1941>. | **Token:** <BB_1941>
**SMILES:** CCN1C(=C2C=NN(C)C2=N)Nc2ccccc21
**Molecular Formula:** C13H15N5
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1942>. | COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C | |
What is the building block token for the following molecule? | COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C | <BB_1942> |
What is the molecular formula for <BB_1942>? | The molecular formula for <BB_1942> (COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C) is C12H17N3O4. | |
Describe the ring structures in building block <BB_1942>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1942>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1942>. | **Token:** <BB_1942>
**SMILES:** COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1nccn1C
**Molecular Formula:** C12H17N3O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1943>. | Cc1ccc(Cl)cc1CC(=O)O | |
What is the building block token for the following molecule? | Cc1ccc(Cl)cc1CC(=O)O | <BB_1943> |
What is the molecular formula for <BB_1943>? | The molecular formula for <BB_1943> (Cc1ccc(Cl)cc1CC(=O)O) is C9H9ClO2. | |
Describe the ring structures in building block <BB_1943>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1943>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1943>. | **Token:** <BB_1943>
**SMILES:** Cc1ccc(Cl)cc1CC(=O)O
**Molecular Formula:** C9H9ClO2
**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_1944>. | Cc1cc(S(=O)(=O)Cl)c(C)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1cc(S(=O)(=O)Cl)c(C)cc1[N+](=O)[O-] | <BB_1944> |
What is the molecular formula for <BB_1944>? | The molecular formula for <BB_1944> (Cc1cc(S(=O)(=O)Cl)c(C)cc1[N+](=O)[O-]) is C8H8ClNO4S. | |
Describe the ring structures in building block <BB_1944>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1944>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1944>. | **Token:** <BB_1944>
**SMILES:** Cc1cc(S(=O)(=O)Cl)c(C)cc1[N+](=O)[O-]
**Molecular Formula:** C8H8ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1945>. | OCCOCCOCC1CCCO1 | |
What is the building block token for the following molecule? | OCCOCCOCC1CCCO1 | <BB_1945> |
What is the molecular formula for <BB_1945>? | The molecular formula for <BB_1945> (OCCOCCOCC1CCCO1) is C9H18O4. | |
Describe the ring structures in building block <BB_1945>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1945>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1945>. | **Token:** <BB_1945>
**SMILES:** OCCOCCOCC1CCCO1
**Molecular Formula:** C9H18O4
**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_1946>. | Cl.O=C1CC2(CCCC2)C(=O)N1C1CCCNC1 | |
What is the building block token for the following molecule? | Cl.O=C1CC2(CCCC2)C(=O)N1C1CCCNC1 | <BB_1946> |
What is the molecular formula for <BB_1946>? | The molecular formula for <BB_1946> (Cl.O=C1CC2(CCCC2)C(=O)N1C1CCCNC1) is C13H21ClN2O2. | |
Describe the ring structures in building block <BB_1946>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1946>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1946>. | **Token:** <BB_1946>
**SMILES:** Cl.O=C1CC2(CCCC2)C(=O)N1C1CCCNC1
**Molecular Formula:** C13H21ClN2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1947>. | CC(C)(C)OC(=O)N1CCC(C(=N)N)CC1.Cl.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(C(=N)N)CC1.Cl.Cl | <BB_1947> |
What is the molecular formula for <BB_1947>? | The molecular formula for <BB_1947> (CC(C)(C)OC(=O)N1CCC(C(=N)N)CC1.Cl.Cl) is C11H23Cl2N3O2. | |
Describe the ring structures in building block <BB_1947>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1947>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1947>. | **Token:** <BB_1947>
**SMILES:** CC(C)(C)OC(=O)N1CCC(C(=N)N)CC1.Cl.Cl
**Molecular Formula:** C11H23Cl2N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1948>. | COC(=O)C(O)c1ccc(F)c(I)c1 | |
What is the building block token for the following molecule? | COC(=O)C(O)c1ccc(F)c(I)c1 | <BB_1948> |
What is the molecular formula for <BB_1948>? | The molecular formula for <BB_1948> (COC(=O)C(O)c1ccc(F)c(I)c1) is C9H8FIO3. | |
Describe the ring structures in building block <BB_1948>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1948>. | The molecule contains the following groups: Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1948>. | **Token:** <BB_1948>
**SMILES:** COC(=O)C(O)c1ccc(F)c(I)c1
**Molecular Formula:** C9H8FIO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1949>. | COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 | |
What is the building block token for the following molecule? | COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 | <BB_1949> |
What is the molecular formula for <BB_1949>? | The molecular formula for <BB_1949> (COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12) is C9H7N3O4. | |
Describe the ring structures in building block <BB_1949>. | 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_1949>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1949>. | **Token:** <BB_1949>
**SMILES:** COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
**Molecular Formula:** C9H7N3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro |
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