instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1600>. | O=C(O)CC1CCCS1(=O)=O | |
What is the building block token for the following molecule? | O=C(O)CC1CCCS1(=O)=O | <BB_1600> |
What is the molecular formula for <BB_1600>? | The molecular formula for <BB_1600> (O=C(O)CC1CCCS1(=O)=O) is C6H10O4S. | |
Describe the ring structures in building block <BB_1600>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1600>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1600>. | **Token:** <BB_1600>
**SMILES:** O=C(O)CC1CCCS1(=O)=O
**Molecular Formula:** C6H10O4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1601>. | CC(=O)CC(C)(C)C | |
What is the building block token for the following molecule? | CC(=O)CC(C)(C)C | <BB_1601> |
What is the molecular formula for <BB_1601>? | The molecular formula for <BB_1601> (CC(=O)CC(C)(C)C) is C7H14O. | |
Describe the ring structures in building block <BB_1601>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1601>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1601>. | **Token:** <BB_1601>
**SMILES:** CC(=O)CC(C)(C)C
**Molecular Formula:** C7H14O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1602>. | O=C1CCC2(CCCCO2)CC1 | |
What is the building block token for the following molecule? | O=C1CCC2(CCCCO2)CC1 | <BB_1602> |
What is the molecular formula for <BB_1602>? | The molecular formula for <BB_1602> (O=C1CCC2(CCCCO2)CC1) is C10H16O2. | |
Describe the ring structures in building block <BB_1602>. | 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_1602>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1602>. | **Token:** <BB_1602>
**SMILES:** O=C1CCC2(CCCCO2)CC1
**Molecular Formula:** C10H16O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1603>. | CCOC(=O)[C@@]12CCCCC[C@@H]1NCC2.Cl | |
What is the building block token for the following molecule? | CCOC(=O)[C@@]12CCCCC[C@@H]1NCC2.Cl | <BB_1603> |
What is the molecular formula for <BB_1603>? | The molecular formula for <BB_1603> (CCOC(=O)[C@@]12CCCCC[C@@H]1NCC2.Cl) is C12H22ClNO2. | |
Describe the ring structures in building block <BB_1603>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1603>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1603>. | **Token:** <BB_1603>
**SMILES:** CCOC(=O)[C@@]12CCCCC[C@@H]1NCC2.Cl
**Molecular Formula:** C12H22ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1604>. | Br.CN(C)CC(C(=O)O)N(C)C | |
What is the building block token for the following molecule? | Br.CN(C)CC(C(=O)O)N(C)C | <BB_1604> |
What is the molecular formula for <BB_1604>? | The molecular formula for <BB_1604> (Br.CN(C)CC(C(=O)O)N(C)C) is C7H17BrN2O2. | |
Describe the ring structures in building block <BB_1604>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1604>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1604>. | **Token:** <BB_1604>
**SMILES:** Br.CN(C)CC(C(=O)O)N(C)C
**Molecular Formula:** C7H17BrN2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1605>. | COC(=O)Cc1cc(I)ccc1Cl | |
What is the building block token for the following molecule? | COC(=O)Cc1cc(I)ccc1Cl | <BB_1605> |
What is the molecular formula for <BB_1605>? | The molecular formula for <BB_1605> (COC(=O)Cc1cc(I)ccc1Cl) is C9H8ClIO2. | |
Describe the ring structures in building block <BB_1605>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1605>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1605>. | **Token:** <BB_1605>
**SMILES:** COC(=O)Cc1cc(I)ccc1Cl
**Molecular Formula:** C9H8ClIO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1606>. | CC(C)(CCC(O)C(=O)O)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CC(C)(CCC(O)C(=O)O)NC(=O)OC(C)(C)C | <BB_1606> |
What is the molecular formula for <BB_1606>? | The molecular formula for <BB_1606> (CC(C)(CCC(O)C(=O)O)NC(=O)OC(C)(C)C) is C12H23NO5. | |
Describe the ring structures in building block <BB_1606>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1606>. | The molecule contains the following groups: Carboxylic Acid, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1606>. | **Token:** <BB_1606>
**SMILES:** CC(C)(CCC(O)C(=O)O)NC(=O)OC(C)(C)C
**Molecular Formula:** C12H23NO5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1607>. | CC(C)(C)OC(=O)N1CCN[C@@H](CO)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCN[C@@H](CO)C1 | <BB_1607> |
What is the molecular formula for <BB_1607>? | The molecular formula for <BB_1607> (CC(C)(C)OC(=O)N1CCN[C@@H](CO)C1) is C10H20N2O3. | |
Describe the ring structures in building block <BB_1607>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1607>. | The molecule contains the following groups: Secondary Amine, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1607>. | **Token:** <BB_1607>
**SMILES:** CC(C)(C)OC(=O)N1CCN[C@@H](CO)C1
**Molecular Formula:** C10H20N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1608>. | CC(C)(C)OC(=O)N1CCCN(S(C)(=N)=O)CC1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCN(S(C)(=N)=O)CC1.Cl | <BB_1608> |
What is the molecular formula for <BB_1608>? | The molecular formula for <BB_1608> (CC(C)(C)OC(=O)N1CCCN(S(C)(=N)=O)CC1.Cl) is C11H24ClN3O3S. | |
Describe the ring structures in building block <BB_1608>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1608>. | The molecule contains the following groups: Tertiary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1608>. | **Token:** <BB_1608>
**SMILES:** CC(C)(C)OC(=O)N1CCCN(S(C)(=N)=O)CC1.Cl
**Molecular Formula:** C11H24ClN3O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Tertiary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1609>. | Cc1cc(C#N)ccc1NC1CCC(O)CC1 | |
What is the building block token for the following molecule? | Cc1cc(C#N)ccc1NC1CCC(O)CC1 | <BB_1609> |
What is the molecular formula for <BB_1609>? | The molecular formula for <BB_1609> (Cc1cc(C#N)ccc1NC1CCC(O)CC1) is C14H18N2O. | |
Describe the ring structures in building block <BB_1609>. | 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_1609>. | The molecule contains the following groups: Secondary Amine, Alcohol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1609>. | **Token:** <BB_1609>
**SMILES:** Cc1cc(C#N)ccc1NC1CCC(O)CC1
**Molecular Formula:** C14H18N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Nitrile | |
Provide the SMILES representation for the building block token <BB_1610>. | CCOc1ccc(CN)cc1OCC | |
What is the building block token for the following molecule? | CCOc1ccc(CN)cc1OCC | <BB_1610> |
What is the molecular formula for <BB_1610>? | The molecular formula for <BB_1610> (CCOc1ccc(CN)cc1OCC) is C11H17NO2. | |
Describe the ring structures in building block <BB_1610>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1610>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1610>. | **Token:** <BB_1610>
**SMILES:** CCOc1ccc(CN)cc1OCC
**Molecular Formula:** C11H17NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1611>. | COc1cccc(O)c1N.Cl | |
What is the building block token for the following molecule? | COc1cccc(O)c1N.Cl | <BB_1611> |
What is the molecular formula for <BB_1611>? | The molecular formula for <BB_1611> (COc1cccc(O)c1N.Cl) is C7H10ClNO2. | |
Describe the ring structures in building block <BB_1611>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1611>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1611>. | **Token:** <BB_1611>
**SMILES:** COc1cccc(O)c1N.Cl
**Molecular Formula:** C7H10ClNO2
**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_1612>. | Cl.Cl.NC(=O)CC1(N)CCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.NC(=O)CC1(N)CCNCC1 | <BB_1612> |
What is the molecular formula for <BB_1612>? | The molecular formula for <BB_1612> (Cl.Cl.NC(=O)CC1(N)CCNCC1) is C7H17Cl2N3O. | |
Describe the ring structures in building block <BB_1612>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1612>. | The molecule contains the following groups: Amine, Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1612>. | **Token:** <BB_1612>
**SMILES:** Cl.Cl.NC(=O)CC1(N)CCNCC1
**Molecular Formula:** C7H17Cl2N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1613>. | Cl.NC[C@@H]1C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | Cl.NC[C@@H]1C[C@H]1C(=O)O | <BB_1613> |
What is the molecular formula for <BB_1613>? | The molecular formula for <BB_1613> (Cl.NC[C@@H]1C[C@H]1C(=O)O) is C5H10ClNO2. | |
Describe the ring structures in building block <BB_1613>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1613>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1613>. | **Token:** <BB_1613>
**SMILES:** Cl.NC[C@@H]1C[C@H]1C(=O)O
**Molecular Formula:** C5H10ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1614>. | Cl.Cl.N#Cc1ccccc1NC1CCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.N#Cc1ccccc1NC1CCNCC1 | <BB_1614> |
What is the molecular formula for <BB_1614>? | The molecular formula for <BB_1614> (Cl.Cl.N#Cc1ccccc1NC1CCNCC1) is C12H17Cl2N3. | |
Describe the ring structures in building block <BB_1614>. | 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_1614>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1614>. | **Token:** <BB_1614>
**SMILES:** Cl.Cl.N#Cc1ccccc1NC1CCNCC1
**Molecular Formula:** C12H17Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1615>. | CC(C)(C)OC(=O)NC(C[C@@H]1CCCO1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(C[C@@H]1CCCO1)C(=O)O | <BB_1615> |
What is the molecular formula for <BB_1615>? | The molecular formula for <BB_1615> (CC(C)(C)OC(=O)NC(C[C@@H]1CCCO1)C(=O)O) is C12H21NO5. | |
Describe the ring structures in building block <BB_1615>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1615>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1615>. | **Token:** <BB_1615>
**SMILES:** CC(C)(C)OC(=O)NC(C[C@@H]1CCCO1)C(=O)O
**Molecular Formula:** C12H21NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1616>. | O=Cc1ccc(-c2ccc(Cl)cc2)nc1 | |
What is the building block token for the following molecule? | O=Cc1ccc(-c2ccc(Cl)cc2)nc1 | <BB_1616> |
What is the molecular formula for <BB_1616>? | The molecular formula for <BB_1616> (O=Cc1ccc(-c2ccc(Cl)cc2)nc1) is C12H8ClNO. | |
Describe the ring structures in building block <BB_1616>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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