instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1566>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1566>. | **Token:** <BB_1566>
**SMILES:** OCC(F)(F)c1ccc(Br)nc1
**Molecular Formula:** C7H6BrF2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1567>. | Cl.Cn1ncc2c(CCl)cccc21 | |
What is the building block token for the following molecule? | Cl.Cn1ncc2c(CCl)cccc21 | <BB_1567> |
What is the molecular formula for <BB_1567>? | The molecular formula for <BB_1567> (Cl.Cn1ncc2c(CCl)cccc21) is C9H10Cl2N2. | |
Describe the ring structures in building block <BB_1567>. | 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_1567>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1567>. | **Token:** <BB_1567>
**SMILES:** Cl.Cn1ncc2c(CCl)cccc21
**Molecular Formula:** C9H10Cl2N2
**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_1568>. | Nc1nnc2ccccc2n1 | |
What is the building block token for the following molecule? | Nc1nnc2ccccc2n1 | <BB_1568> |
What is the molecular formula for <BB_1568>? | The molecular formula for <BB_1568> (Nc1nnc2ccccc2n1) is C7H6N4. | |
Describe the ring structures in building block <BB_1568>. | 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_1568>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1568>. | **Token:** <BB_1568>
**SMILES:** Nc1nnc2ccccc2n1
**Molecular Formula:** C7H6N4
**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_1569>. | Cc1c(N)cnn1C(C)C.Cl.Cl | |
What is the building block token for the following molecule? | Cc1c(N)cnn1C(C)C.Cl.Cl | <BB_1569> |
What is the molecular formula for <BB_1569>? | The molecular formula for <BB_1569> (Cc1c(N)cnn1C(C)C.Cl.Cl) is C7H15Cl2N3. | |
Describe the ring structures in building block <BB_1569>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1569>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1569>. | **Token:** <BB_1569>
**SMILES:** Cc1c(N)cnn1C(C)C.Cl.Cl
**Molecular Formula:** C7H15Cl2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1570>. | NC(CO)C12CC3CC(CC(C3)C1)C2 | |
What is the building block token for the following molecule? | NC(CO)C12CC3CC(CC(C3)C1)C2 | <BB_1570> |
What is the molecular formula for <BB_1570>? | The molecular formula for <BB_1570> (NC(CO)C12CC3CC(CC(C3)C1)C2) is C12H21NO. | |
Describe the ring structures in building block <BB_1570>. | The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1570>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1570>. | **Token:** <BB_1570>
**SMILES:** NC(CO)C12CC3CC(CC(C3)C1)C2
**Molecular Formula:** C12H21NO
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_1571>. | CC(C)(C)OC(=O)N(CC1CCNCC1)C1CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N(CC1CCNCC1)C1CC1 | <BB_1571> |
What is the molecular formula for <BB_1571>? | The molecular formula for <BB_1571> (CC(C)(C)OC(=O)N(CC1CCNCC1)C1CC1) is C14H26N2O2. | |
Describe the ring structures in building block <BB_1571>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1571>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1571>. | **Token:** <BB_1571>
**SMILES:** CC(C)(C)OC(=O)N(CC1CCNCC1)C1CC1
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1572>. | CC(=O)Cc1ccc(F)cc1Cl | |
What is the building block token for the following molecule? | CC(=O)Cc1ccc(F)cc1Cl | <BB_1572> |
What is the molecular formula for <BB_1572>? | The molecular formula for <BB_1572> (CC(=O)Cc1ccc(F)cc1Cl) is C9H8ClFO. | |
Describe the ring structures in building block <BB_1572>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1572>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1572>. | **Token:** <BB_1572>
**SMILES:** CC(=O)Cc1ccc(F)cc1Cl
**Molecular Formula:** C9H8ClFO
**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_1573>. | CC(=O)c1cccc2c1OC(F)(F)O2 | |
What is the building block token for the following molecule? | CC(=O)c1cccc2c1OC(F)(F)O2 | <BB_1573> |
What is the molecular formula for <BB_1573>? | The molecular formula for <BB_1573> (CC(=O)c1cccc2c1OC(F)(F)O2) is C9H6F2O3. | |
Describe the ring structures in building block <BB_1573>. | 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_1573>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1573>. | **Token:** <BB_1573>
**SMILES:** CC(=O)c1cccc2c1OC(F)(F)O2
**Molecular Formula:** C9H6F2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1574>. | Nc1ccc(Br)nc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Nc1ccc(Br)nc1[N+](=O)[O-] | <BB_1574> |
What is the molecular formula for <BB_1574>? | The molecular formula for <BB_1574> (Nc1ccc(Br)nc1[N+](=O)[O-]) is C5H4BrN3O2. | |
Describe the ring structures in building block <BB_1574>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1574>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1574>. | **Token:** <BB_1574>
**SMILES:** Nc1ccc(Br)nc1[N+](=O)[O-]
**Molecular Formula:** C5H4BrN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1575>. | C[C@@H]1CN(Cc2cccc(N)c2)C[C@H](C)O1 | |
What is the building block token for the following molecule? | C[C@@H]1CN(Cc2cccc(N)c2)C[C@H](C)O1 | <BB_1575> |
What is the molecular formula for <BB_1575>? | The molecular formula for <BB_1575> (C[C@@H]1CN(Cc2cccc(N)c2)C[C@H](C)O1) is C13H20N2O. | |
Describe the ring structures in building block <BB_1575>. | 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_1575>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1575>. | **Token:** <BB_1575>
**SMILES:** C[C@@H]1CN(Cc2cccc(N)c2)C[C@H](C)O1
**Molecular Formula:** C13H20N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1576>. | Cc1cccc(OCc2ccc(C(=O)NN)o2)c1 | |
What is the building block token for the following molecule? | Cc1cccc(OCc2ccc(C(=O)NN)o2)c1 | <BB_1576> |
What is the molecular formula for <BB_1576>? | The molecular formula for <BB_1576> (Cc1cccc(OCc2ccc(C(=O)NN)o2)c1) is C13H14N2O3. | |
Describe the ring structures in building block <BB_1576>. | 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_1576>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1576>. | **Token:** <BB_1576>
**SMILES:** Cc1cccc(OCc2ccc(C(=O)NN)o2)c1
**Molecular Formula:** C13H14N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1577>. | CC(C)(C)OC(=O)N1CC(C(=O)N2CC(N)C2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(C(=O)N2CC(N)C2)C1 | <BB_1577> |
What is the molecular formula for <BB_1577>? | The molecular formula for <BB_1577> (CC(C)(C)OC(=O)N1CC(C(=O)N2CC(N)C2)C1) is C12H21N3O3. | |
Describe the ring structures in building block <BB_1577>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1577>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1577>. | **Token:** <BB_1577>
**SMILES:** CC(C)(C)OC(=O)N1CC(C(=O)N2CC(N)C2)C1
**Molecular Formula:** C12H21N3O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1578>. | CC(C)C1(N)CCOCC1.Cl | |
What is the building block token for the following molecule? | CC(C)C1(N)CCOCC1.Cl | <BB_1578> |
What is the molecular formula for <BB_1578>? | The molecular formula for <BB_1578> (CC(C)C1(N)CCOCC1.Cl) is C8H18ClNO. | |
Describe the ring structures in building block <BB_1578>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1578>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1578>. | **Token:** <BB_1578>
**SMILES:** CC(C)C1(N)CCOCC1.Cl
**Molecular Formula:** C8H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1579>. | CN(C)c1oc(CC#N)nc1C#N | |
What is the building block token for the following molecule? | CN(C)c1oc(CC#N)nc1C#N | <BB_1579> |
What is the molecular formula for <BB_1579>? | The molecular formula for <BB_1579> (CN(C)c1oc(CC#N)nc1C#N) is C8H8N4O. | |
Describe the ring structures in building block <BB_1579>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1579>. | The molecule contains the following groups: Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1579>. | **Token:** <BB_1579>
**SMILES:** CN(C)c1oc(CC#N)nc1C#N
**Molecular Formula:** C8H8N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_1580>. | Br.O=C(CBr)c1ccncc1Br | |
What is the building block token for the following molecule? | Br.O=C(CBr)c1ccncc1Br | <BB_1580> |
What is the molecular formula for <BB_1580>? | The molecular formula for <BB_1580> (Br.O=C(CBr)c1ccncc1Br) is C7H6Br3NO. | |
Describe the ring structures in building block <BB_1580>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1580>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1580>. | **Token:** <BB_1580>
**SMILES:** Br.O=C(CBr)c1ccncc1Br
**Molecular Formula:** C7H6Br3NO
**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_1581>. | CCOc1ccc2cc(C(=O)OC)[nH]c2c1 | |
What is the building block token for the following molecule? | CCOc1ccc2cc(C(=O)OC)[nH]c2c1 | <BB_1581> |
What is the molecular formula for <BB_1581>? | The molecular formula for <BB_1581> (CCOc1ccc2cc(C(=O)OC)[nH]c2c1) is C12H13NO3. | |
Describe the ring structures in building block <BB_1581>. | 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_1581>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1581>. | **Token:** <BB_1581>
**SMILES:** CCOc1ccc2cc(C(=O)OC)[nH]c2c1
**Molecular Formula:** C12H13NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1582>. | OCc1cn(C2CCCNC2)nn1 | |
What is the building block token for the following molecule? | OCc1cn(C2CCCNC2)nn1 | <BB_1582> |
What is the molecular formula for <BB_1582>? | The molecular formula for <BB_1582> (OCc1cn(C2CCCNC2)nn1) is C8H14N4O. | |
Describe the ring structures in building block <BB_1582>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1582>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1582>. | **Token:** <BB_1582>
**SMILES:** OCc1cn(C2CCCNC2)nn1
**Molecular Formula:** C8H14N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_1583>. | O=CC1(n2cc(Br)cn2)CC1 | |
What is the building block token for the following molecule? | O=CC1(n2cc(Br)cn2)CC1 | <BB_1583> |
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