instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_683>? | The molecular formula for <BB_683> (Cc1ccc2ccc(N)c(O)c2n1) is C10H10N2O. | |
Describe the ring structures in building block <BB_683>. | 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_683>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_683>. | **Token:** <BB_683>
**SMILES:** Cc1ccc2ccc(N)c(O)c2n1
**Molecular Formula:** C10H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_684>. | CC(Br)C(=O)c1cccc(Cl)c1 | |
What is the building block token for the following molecule? | CC(Br)C(=O)c1cccc(Cl)c1 | <BB_684> |
What is the molecular formula for <BB_684>? | The molecular formula for <BB_684> (CC(Br)C(=O)c1cccc(Cl)c1) is C9H8BrClO. | |
Describe the ring structures in building block <BB_684>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_684>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_684>. | **Token:** <BB_684>
**SMILES:** CC(Br)C(=O)c1cccc(Cl)c1
**Molecular Formula:** C9H8BrClO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_685>. | COc1ncnc(N(C)C)c1N | |
What is the building block token for the following molecule? | COc1ncnc(N(C)C)c1N | <BB_685> |
What is the molecular formula for <BB_685>? | The molecular formula for <BB_685> (COc1ncnc(N(C)C)c1N) is C7H12N4O. | |
Describe the ring structures in building block <BB_685>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_685>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_685>. | **Token:** <BB_685>
**SMILES:** COc1ncnc(N(C)C)c1N
**Molecular Formula:** C7H12N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_686>. | O=S(=O)(Cl)c1cnn(-c2ccccc2)c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cnn(-c2ccccc2)c1 | <BB_686> |
What is the molecular formula for <BB_686>? | The molecular formula for <BB_686> (O=S(=O)(Cl)c1cnn(-c2ccccc2)c1) is C9H7ClN2O2S. | |
Describe the ring structures in building block <BB_686>. | 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_686>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_686>. | **Token:** <BB_686>
**SMILES:** O=S(=O)(Cl)c1cnn(-c2ccccc2)c1
**Molecular Formula:** C9H7ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_687>. | CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl | |
What is the building block token for the following molecule? | CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl | <BB_687> |
What is the molecular formula for <BB_687>? | The molecular formula for <BB_687> (CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl) is C9H16ClNO2. | |
Describe the ring structures in building block <BB_687>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_687>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_687>. | **Token:** <BB_687>
**SMILES:** CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_688>. | CCC(O)CCc1cccnc1 | |
What is the building block token for the following molecule? | CCC(O)CCc1cccnc1 | <BB_688> |
What is the molecular formula for <BB_688>? | The molecular formula for <BB_688> (CCC(O)CCc1cccnc1) is C10H15NO. | |
Describe the ring structures in building block <BB_688>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_688>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_688>. | **Token:** <BB_688>
**SMILES:** CCC(O)CCc1cccnc1
**Molecular Formula:** C10H15NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_689>. | CC(C)(C)OC(=O)NCC1CNCCCO1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCC1CNCCCO1 | <BB_689> |
What is the molecular formula for <BB_689>? | The molecular formula for <BB_689> (CC(C)(C)OC(=O)NCC1CNCCCO1) is C11H22N2O3. | |
Describe the ring structures in building block <BB_689>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_689>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_689>. | **Token:** <BB_689>
**SMILES:** CC(C)(C)OC(=O)NCC1CNCCCO1
**Molecular Formula:** C11H22N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_690>. | O=C(O)Cc1sncc1Br | |
What is the building block token for the following molecule? | O=C(O)Cc1sncc1Br | <BB_690> |
What is the molecular formula for <BB_690>? | The molecular formula for <BB_690> (O=C(O)Cc1sncc1Br) is C5H4BrNO2S. | |
Describe the ring structures in building block <BB_690>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_690>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_690>. | **Token:** <BB_690>
**SMILES:** O=C(O)Cc1sncc1Br
**Molecular Formula:** C5H4BrNO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_691>. | O=C(O)c1ccc(Cl)c(N2CCOCC2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(Cl)c(N2CCOCC2)c1 | <BB_691> |
What is the molecular formula for <BB_691>? | The molecular formula for <BB_691> (O=C(O)c1ccc(Cl)c(N2CCOCC2)c1) is C11H12ClNO3. | |
Describe the ring structures in building block <BB_691>. | 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_691>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_691>. | **Token:** <BB_691>
**SMILES:** O=C(O)c1ccc(Cl)c(N2CCOCC2)c1
**Molecular Formula:** C11H12ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_692>. | CC(C)(C)OC(=O)NCCC1CNCCCO1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCC1CNCCCO1 | <BB_692> |
What is the molecular formula for <BB_692>? | The molecular formula for <BB_692> (CC(C)(C)OC(=O)NCCC1CNCCCO1) is C12H24N2O3. | |
Describe the ring structures in building block <BB_692>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_692>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_692>. | **Token:** <BB_692>
**SMILES:** CC(C)(C)OC(=O)NCCC1CNCCCO1
**Molecular Formula:** C12H24N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_693>. | CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1 | <BB_693> |
What is the molecular formula for <BB_693>? | The molecular formula for <BB_693> (CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1) is C10H14F2O3. | |
Describe the ring structures in building block <BB_693>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_693>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_693>. | **Token:** <BB_693>
**SMILES:** CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1
**Molecular Formula:** C10H14F2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_694>. | CCOC(=O)C1CNCC12CCC2 | |
What is the building block token for the following molecule? | CCOC(=O)C1CNCC12CCC2 | <BB_694> |
What is the molecular formula for <BB_694>? | The molecular formula for <BB_694> (CCOC(=O)C1CNCC12CCC2) is C10H17NO2. | |
Describe the ring structures in building block <BB_694>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_694>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_694>. | **Token:** <BB_694>
**SMILES:** CCOC(=O)C1CNCC12CCC2
**Molecular Formula:** C10H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_695>. | Cl.NC1COC2(CCOC2)C1 | |
What is the building block token for the following molecule? | Cl.NC1COC2(CCOC2)C1 | <BB_695> |
What is the molecular formula for <BB_695>? | The molecular formula for <BB_695> (Cl.NC1COC2(CCOC2)C1) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_695>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_695>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_695>. | **Token:** <BB_695>
**SMILES:** Cl.NC1COC2(CCOC2)C1
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_696>. | Nc1ncc(Br)nc1OC1CCC1 | |
What is the building block token for the following molecule? | Nc1ncc(Br)nc1OC1CCC1 | <BB_696> |
What is the molecular formula for <BB_696>? | The molecular formula for <BB_696> (Nc1ncc(Br)nc1OC1CCC1) is C8H10BrN3O. | |
Describe the ring structures in building block <BB_696>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_696>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_696>. | **Token:** <BB_696>
**SMILES:** Nc1ncc(Br)nc1OC1CCC1
**Molecular Formula:** C8H10BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_697>. | O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2 | |
What is the building block token for the following molecule? | O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2 | <BB_697> |
What is the molecular formula for <BB_697>? | The molecular formula for <BB_697> (O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2) is C12H9F3O4. | |
Describe the ring structures in building block <BB_697>. | 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_697>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_697>. | **Token:** <BB_697>
**SMILES:** O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2
**Molecular Formula:** C12H9F3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_698>. | O=S(=O)(Cl)CC1(CC(F)F)CCC1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)CC1(CC(F)F)CCC1 | <BB_698> |
What is the molecular formula for <BB_698>? | The molecular formula for <BB_698> (O=S(=O)(Cl)CC1(CC(F)F)CCC1) is C7H11ClF2O2S. | |
Describe the ring structures in building block <BB_698>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_698>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_698>. | **Token:** <BB_698>
**SMILES:** O=S(=O)(Cl)CC1(CC(F)F)CCC1
**Molecular Formula:** C7H11ClF2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_699>. | COc1cnc(C(=O)O)nc1Cl | |
What is the building block token for the following molecule? | COc1cnc(C(=O)O)nc1Cl | <BB_699> |
What is the molecular formula for <BB_699>? | The molecular formula for <BB_699> (COc1cnc(C(=O)O)nc1Cl) is C6H5ClN2O3. | |
Describe the ring structures in building block <BB_699>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_699>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_699>. | **Token:** <BB_699>
**SMILES:** COc1cnc(C(=O)O)nc1Cl
**Molecular Formula:** C6H5ClN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) |
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