instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1983>? | The molecular formula for <BB_1983> (C1COCCOCCOCCOCCO1) is C10H20O5. | |
Describe the ring structures in building block <BB_1983>. | The molecule contains 1 ring(s): an aliphatic ring of size 15. | |
List the primary functional groups present in <BB_1983>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1983>. | **Token:** <BB_1983>
**SMILES:** C1COCCOCCOCCOCCO1
**Molecular Formula:** C10H20O5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 15.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1984>. | Cl.Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1 | |
What is the building block token for the following molecule? | Cl.Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1 | <BB_1984> |
What is the molecular formula for <BB_1984>? | The molecular formula for <BB_1984> (Cl.Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1) is C9H13ClN2O4S. | |
Describe the ring structures in building block <BB_1984>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1984>. | The molecule contains the following groups: Carboxylic Acid, Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1984>. | **Token:** <BB_1984>
**SMILES:** Cl.Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1
**Molecular Formula:** C9H13ClN2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1985>. | O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3 | |
What is the building block token for the following molecule? | O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3 | <BB_1985> |
What is the molecular formula for <BB_1985>? | The molecular formula for <BB_1985> (O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3) is C11H8F3N3O2. | |
Describe the ring structures in building block <BB_1985>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1985>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1985>. | **Token:** <BB_1985>
**SMILES:** O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3
**Molecular Formula:** C11H8F3N3O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1986>. | CCOC(=O)c1c[nH]c(C#N)c1 | |
What is the building block token for the following molecule? | CCOC(=O)c1c[nH]c(C#N)c1 | <BB_1986> |
What is the molecular formula for <BB_1986>? | The molecular formula for <BB_1986> (CCOC(=O)c1c[nH]c(C#N)c1) is C8H8N2O2. | |
Describe the ring structures in building block <BB_1986>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1986>. | The molecule contains the following groups: Ester, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1986>. | **Token:** <BB_1986>
**SMILES:** CCOC(=O)c1c[nH]c(C#N)c1
**Molecular Formula:** C8H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1987>. | CNC(=O)C1CCN(C(=O)CCl)CC1 | |
What is the building block token for the following molecule? | CNC(=O)C1CCN(C(=O)CCl)CC1 | <BB_1987> |
What is the molecular formula for <BB_1987>? | The molecular formula for <BB_1987> (CNC(=O)C1CCN(C(=O)CCl)CC1) is C9H15ClN2O2. | |
Describe the ring structures in building block <BB_1987>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1987>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1987>. | **Token:** <BB_1987>
**SMILES:** CNC(=O)C1CCN(C(=O)CCl)CC1
**Molecular Formula:** C9H15ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1988>. | COC(=O)[C@H]1CC[C@@H](C(=O)CCl)C1 | |
What is the building block token for the following molecule? | COC(=O)[C@H]1CC[C@@H](C(=O)CCl)C1 | <BB_1988> |
What is the molecular formula for <BB_1988>? | The molecular formula for <BB_1988> (COC(=O)[C@H]1CC[C@@H](C(=O)CCl)C1) is C9H13ClO3. | |
Describe the ring structures in building block <BB_1988>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1988>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1988>. | **Token:** <BB_1988>
**SMILES:** COC(=O)[C@H]1CC[C@@H](C(=O)CCl)C1
**Molecular Formula:** C9H13ClO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1989>. | Cl.NCc1cccc2nonc12 | |
What is the building block token for the following molecule? | Cl.NCc1cccc2nonc12 | <BB_1989> |
What is the molecular formula for <BB_1989>? | The molecular formula for <BB_1989> (Cl.NCc1cccc2nonc12) is C7H8ClN3O. | |
Describe the ring structures in building block <BB_1989>. | 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_1989>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1989>. | **Token:** <BB_1989>
**SMILES:** Cl.NCc1cccc2nonc12
**Molecular Formula:** C7H8ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1990>. | NC(=O)C1CN(C(=O)CCl)c2ccccc2O1 | |
What is the building block token for the following molecule? | NC(=O)C1CN(C(=O)CCl)c2ccccc2O1 | <BB_1990> |
What is the molecular formula for <BB_1990>? | The molecular formula for <BB_1990> (NC(=O)C1CN(C(=O)CCl)c2ccccc2O1) is C11H11ClN2O3. | |
Describe the ring structures in building block <BB_1990>. | 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_1990>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1990>. | **Token:** <BB_1990>
**SMILES:** NC(=O)C1CN(C(=O)CCl)c2ccccc2O1
**Molecular Formula:** C11H11ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1991>. | CC(C)(C)OC(=O)NCCC1(O)CNC1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCC1(O)CNC1.Cl | <BB_1991> |
What is the molecular formula for <BB_1991>? | The molecular formula for <BB_1991> (CC(C)(C)OC(=O)NCCC1(O)CNC1.Cl) is C10H21ClN2O3. | |
Describe the ring structures in building block <BB_1991>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1991>. | The molecule contains the following groups: Secondary Amine, Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1991>. | **Token:** <BB_1991>
**SMILES:** CC(C)(C)OC(=O)NCCC1(O)CNC1.Cl
**Molecular Formula:** C10H21ClN2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1992>. | CCOC(=O)Cc1c[nH]n(C)c1=O | |
What is the building block token for the following molecule? | CCOC(=O)Cc1c[nH]n(C)c1=O | <BB_1992> |
What is the molecular formula for <BB_1992>? | The molecular formula for <BB_1992> (CCOC(=O)Cc1c[nH]n(C)c1=O) is C8H12N2O3. | |
Describe the ring structures in building block <BB_1992>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1992>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1992>. | **Token:** <BB_1992>
**SMILES:** CCOC(=O)Cc1c[nH]n(C)c1=O
**Molecular Formula:** C8H12N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1993>. | C#CC(CC(=O)O)c1ccccc1 | |
What is the building block token for the following molecule? | C#CC(CC(=O)O)c1ccccc1 | <BB_1993> |
What is the molecular formula for <BB_1993>? | The molecular formula for <BB_1993> (C#CC(CC(=O)O)c1ccccc1) is C11H10O2. | |
Describe the ring structures in building block <BB_1993>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1993>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1993>. | **Token:** <BB_1993>
**SMILES:** C#CC(CC(=O)O)c1ccccc1
**Molecular Formula:** C11H10O2
**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_1994>. | COCc1ccc(C2CCCN2)o1 | |
What is the building block token for the following molecule? | COCc1ccc(C2CCCN2)o1 | <BB_1994> |
What is the molecular formula for <BB_1994>? | The molecular formula for <BB_1994> (COCc1ccc(C2CCCN2)o1) is C10H15NO2. | |
Describe the ring structures in building block <BB_1994>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1994>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1994>. | **Token:** <BB_1994>
**SMILES:** COCc1ccc(C2CCCN2)o1
**Molecular Formula:** C10H15NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1995>. | Cn1c(-c2ccc(C(=O)O)cc2)n[nH]c1=O | |
What is the building block token for the following molecule? | Cn1c(-c2ccc(C(=O)O)cc2)n[nH]c1=O | <BB_1995> |
What is the molecular formula for <BB_1995>? | The molecular formula for <BB_1995> (Cn1c(-c2ccc(C(=O)O)cc2)n[nH]c1=O) is C10H9N3O3. | |
Describe the ring structures in building block <BB_1995>. | 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_1995>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1995>. | **Token:** <BB_1995>
**SMILES:** Cn1c(-c2ccc(C(=O)O)cc2)n[nH]c1=O
**Molecular Formula:** C10H9N3O3
**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_1996>. | Cc1cccc(N)c1OCC(C)C | |
What is the building block token for the following molecule? | Cc1cccc(N)c1OCC(C)C | <BB_1996> |
What is the molecular formula for <BB_1996>? | The molecular formula for <BB_1996> (Cc1cccc(N)c1OCC(C)C) is C11H17NO. | |
Describe the ring structures in building block <BB_1996>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1996>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1996>. | **Token:** <BB_1996>
**SMILES:** Cc1cccc(N)c1OCC(C)C
**Molecular Formula:** C11H17NO
**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_1997>. | CCN(CC)C(CN)Cc1ccccc1 | |
What is the building block token for the following molecule? | CCN(CC)C(CN)Cc1ccccc1 | <BB_1997> |
What is the molecular formula for <BB_1997>? | The molecular formula for <BB_1997> (CCN(CC)C(CN)Cc1ccccc1) is C13H22N2. | |
Describe the ring structures in building block <BB_1997>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1997>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1997>. | **Token:** <BB_1997>
**SMILES:** CCN(CC)C(CN)Cc1ccccc1
**Molecular Formula:** C13H22N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1998>. | O=C1COCCN1C1CCNCC1 | |
What is the building block token for the following molecule? | O=C1COCCN1C1CCNCC1 | <BB_1998> |
What is the molecular formula for <BB_1998>? | The molecular formula for <BB_1998> (O=C1COCCN1C1CCNCC1) is C9H16N2O2. | |
Describe the ring structures in building block <BB_1998>. | 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_1998>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1998>. | **Token:** <BB_1998>
**SMILES:** O=C1COCCN1C1CCNCC1
**Molecular Formula:** C9H16N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1999>. | Cc1ccc(CO)c(Cl)n1.Cl | |
What is the building block token for the following molecule? | Cc1ccc(CO)c(Cl)n1.Cl | <BB_1999> |
What is the molecular formula for <BB_1999>? | The molecular formula for <BB_1999> (Cc1ccc(CO)c(Cl)n1.Cl) is C7H9Cl2NO. | |
Describe the ring structures in building block <BB_1999>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1999>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1999>. | **Token:** <BB_1999>
**SMILES:** Cc1ccc(CO)c(Cl)n1.Cl
**Molecular Formula:** C7H9Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) |
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