instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1616>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1616>. | **Token:** <BB_1616>
**SMILES:** O=Cc1ccc(-c2ccc(Cl)cc2)nc1
**Molecular Formula:** C12H8ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1617>. | O=C(O)C1OCCOC12CCC2 | |
What is the building block token for the following molecule? | O=C(O)C1OCCOC12CCC2 | <BB_1617> |
What is the molecular formula for <BB_1617>? | The molecular formula for <BB_1617> (O=C(O)C1OCCOC12CCC2) is C8H12O4. | |
Describe the ring structures in building block <BB_1617>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1617>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1617>. | **Token:** <BB_1617>
**SMILES:** O=C(O)C1OCCOC12CCC2
**Molecular Formula:** C8H12O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1618>. | c1ccc(Cn2ccnc2-c2nnn[nH]2)cc1 | |
What is the building block token for the following molecule? | c1ccc(Cn2ccnc2-c2nnn[nH]2)cc1 | <BB_1618> |
What is the molecular formula for <BB_1618>? | The molecular formula for <BB_1618> (c1ccc(Cn2ccnc2-c2nnn[nH]2)cc1) is C11H10N6. | |
Describe the ring structures in building block <BB_1618>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1618>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1618>. | **Token:** <BB_1618>
**SMILES:** c1ccc(Cn2ccnc2-c2nnn[nH]2)cc1
**Molecular Formula:** C11H10N6
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1619>. | Cc1ccc(C(O)c2ccccn2)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1ccc(C(O)c2ccccn2)cc1[N+](=O)[O-] | <BB_1619> |
What is the molecular formula for <BB_1619>? | The molecular formula for <BB_1619> (Cc1ccc(C(O)c2ccccn2)cc1[N+](=O)[O-]) is C13H12N2O3. | |
Describe the ring structures in building block <BB_1619>. | 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_1619>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1619>. | **Token:** <BB_1619>
**SMILES:** Cc1ccc(C(O)c2ccccn2)cc1[N+](=O)[O-]
**Molecular Formula:** C13H12N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Nitro | |
Provide the SMILES representation for the building block token <BB_1620>. | N#Cc1ccc(Cl)c(N=C=S)c1 | |
What is the building block token for the following molecule? | N#Cc1ccc(Cl)c(N=C=S)c1 | <BB_1620> |
What is the molecular formula for <BB_1620>? | The molecular formula for <BB_1620> (N#Cc1ccc(Cl)c(N=C=S)c1) is C8H3ClN2S. | |
Describe the ring structures in building block <BB_1620>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1620>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1620>. | **Token:** <BB_1620>
**SMILES:** N#Cc1ccc(Cl)c(N=C=S)c1
**Molecular Formula:** C8H3ClN2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1621>. | CC(C)(C)OC(=O)COc1cc(Br)ccc1C=O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)COc1cc(Br)ccc1C=O | <BB_1621> |
What is the molecular formula for <BB_1621>? | The molecular formula for <BB_1621> (CC(C)(C)OC(=O)COc1cc(Br)ccc1C=O) is C13H15BrO4. | |
Describe the ring structures in building block <BB_1621>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1621>. | The molecule contains the following groups: Ester, Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1621>. | **Token:** <BB_1621>
**SMILES:** CC(C)(C)OC(=O)COc1cc(Br)ccc1C=O
**Molecular Formula:** C13H15BrO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1622>. | Cl.Cl.NCCc1cc(N)[nH]n1 | |
What is the building block token for the following molecule? | Cl.Cl.NCCc1cc(N)[nH]n1 | <BB_1622> |
What is the molecular formula for <BB_1622>? | The molecular formula for <BB_1622> (Cl.Cl.NCCc1cc(N)[nH]n1) is C5H12Cl2N4. | |
Describe the ring structures in building block <BB_1622>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1622>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1622>. | **Token:** <BB_1622>
**SMILES:** Cl.Cl.NCCc1cc(N)[nH]n1
**Molecular Formula:** C5H12Cl2N4
**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_1623>. | Cc1[nH]c(C(=O)O)c(C)c1Br | |
What is the building block token for the following molecule? | Cc1[nH]c(C(=O)O)c(C)c1Br | <BB_1623> |
What is the molecular formula for <BB_1623>? | The molecular formula for <BB_1623> (Cc1[nH]c(C(=O)O)c(C)c1Br) is C7H8BrNO2. | |
Describe the ring structures in building block <BB_1623>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1623>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1623>. | **Token:** <BB_1623>
**SMILES:** Cc1[nH]c(C(=O)O)c(C)c1Br
**Molecular Formula:** C7H8BrNO2
**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_1624>. | C1CO[C@H]2COC[C@H]2N1.Cl | |
What is the building block token for the following molecule? | C1CO[C@H]2COC[C@H]2N1.Cl | <BB_1624> |
What is the molecular formula for <BB_1624>? | The molecular formula for <BB_1624> (C1CO[C@H]2COC[C@H]2N1.Cl) is C6H12ClNO2. | |
Describe the ring structures in building block <BB_1624>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1624>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1624>. | **Token:** <BB_1624>
**SMILES:** C1CO[C@H]2COC[C@H]2N1.Cl
**Molecular Formula:** C6H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1625>. | O=C(CCl)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 | |
What is the building block token for the following molecule? | O=C(CCl)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 | <BB_1625> |
What is the molecular formula for <BB_1625>? | The molecular formula for <BB_1625> (O=C(CCl)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1) is C8H5Cl4NO2. | |
Describe the ring structures in building block <BB_1625>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1625>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1625>. | **Token:** <BB_1625>
**SMILES:** O=C(CCl)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1
**Molecular Formula:** C8H5Cl4NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1626>. | CCCNc1cccc(F)c1N | |
What is the building block token for the following molecule? | CCCNc1cccc(F)c1N | <BB_1626> |
What is the molecular formula for <BB_1626>? | The molecular formula for <BB_1626> (CCCNc1cccc(F)c1N) is C9H13FN2. | |
Describe the ring structures in building block <BB_1626>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1626>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1626>. | **Token:** <BB_1626>
**SMILES:** CCCNc1cccc(F)c1N
**Molecular Formula:** C9H13FN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1627>. | Cc1ccc2c(c1)CC(C)(C)NC2=O | |
What is the building block token for the following molecule? | Cc1ccc2c(c1)CC(C)(C)NC2=O | <BB_1627> |
What is the molecular formula for <BB_1627>? | The molecular formula for <BB_1627> (Cc1ccc2c(c1)CC(C)(C)NC2=O) is C12H15NO. | |
Describe the ring structures in building block <BB_1627>. | 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_1627>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1627>. | **Token:** <BB_1627>
**SMILES:** Cc1ccc2c(c1)CC(C)(C)NC2=O
**Molecular Formula:** C12H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1628>. | O=C1OC(CF)C(CF)O1 | |
What is the building block token for the following molecule? | O=C1OC(CF)C(CF)O1 | <BB_1628> |
What is the molecular formula for <BB_1628>? | The molecular formula for <BB_1628> (O=C1OC(CF)C(CF)O1) is C5H6F2O3. | |
Describe the ring structures in building block <BB_1628>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1628>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1628>. | **Token:** <BB_1628>
**SMILES:** O=C1OC(CF)C(CF)O1
**Molecular Formula:** C5H6F2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1629>. | Cl.NCC1CCC(C(N)=O)O1 | |
What is the building block token for the following molecule? | Cl.NCC1CCC(C(N)=O)O1 | <BB_1629> |
What is the molecular formula for <BB_1629>? | The molecular formula for <BB_1629> (Cl.NCC1CCC(C(N)=O)O1) is C6H13ClN2O2. | |
Describe the ring structures in building block <BB_1629>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1629>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1629>. | **Token:** <BB_1629>
**SMILES:** Cl.NCC1CCC(C(N)=O)O1
**Molecular Formula:** C6H13ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1630>. | CNC1CC(C(=O)OC)C1.Cl | |
What is the building block token for the following molecule? | CNC1CC(C(=O)OC)C1.Cl | <BB_1630> |
What is the molecular formula for <BB_1630>? | The molecular formula for <BB_1630> (CNC1CC(C(=O)OC)C1.Cl) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_1630>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1630>. | 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_1630>. | **Token:** <BB_1630>
**SMILES:** CNC1CC(C(=O)OC)C1.Cl
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1631>. | COC(=O)c1c[nH]c(=O)c2ncccc12 | |
What is the building block token for the following molecule? | COC(=O)c1c[nH]c(=O)c2ncccc12 | <BB_1631> |
What is the molecular formula for <BB_1631>? | The molecular formula for <BB_1631> (COC(=O)c1c[nH]c(=O)c2ncccc12) is C10H8N2O3. | |
Describe the ring structures in building block <BB_1631>. | 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_1631>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1631>. | **Token:** <BB_1631>
**SMILES:** COC(=O)c1c[nH]c(=O)c2ncccc12
**Molecular Formula:** C10H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1632>. | CC(C)(C)c1ccccc1CCC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)c1ccccc1CCC(=O)O | <BB_1632> |
What is the molecular formula for <BB_1632>? | The molecular formula for <BB_1632> (CC(C)(C)c1ccccc1CCC(=O)O) is C13H18O2. | |
Describe the ring structures in building block <BB_1632>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1632>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1632>. | **Token:** <BB_1632>
**SMILES:** CC(C)(C)c1ccccc1CCC(=O)O
**Molecular Formula:** C13H18O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1633>. | Cn1cccc1-c1cc(C(=O)O)[nH]n1 | |
What is the building block token for the following molecule? | Cn1cccc1-c1cc(C(=O)O)[nH]n1 | <BB_1633> |
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