instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9616>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9616>. | **Token:** <BB_9616>
**SMILES:** O=C1CCCC(CBr)C1
**Molecular Formula:** C7H11BrO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9617>. | Cl.NCc1ncsn1 | |
What is the building block token for the following molecule? | Cl.NCc1ncsn1 | <BB_9617> |
What is the molecular formula for <BB_9617>? | The molecular formula for <BB_9617> (Cl.NCc1ncsn1) is C3H6ClN3S. | |
Describe the ring structures in building block <BB_9617>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9617>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9617>. | **Token:** <BB_9617>
**SMILES:** Cl.NCc1ncsn1
**Molecular Formula:** C3H6ClN3S
**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_9618>. | Cn1nccc1[C@H]1[C@H](N)CCC(=O)N1C1CC1 | |
What is the building block token for the following molecule? | Cn1nccc1[C@H]1[C@H](N)CCC(=O)N1C1CC1 | <BB_9618> |
What is the molecular formula for <BB_9618>? | The molecular formula for <BB_9618> (Cn1nccc1[C@H]1[C@H](N)CCC(=O)N1C1CC1) is C12H18N4O. | |
Describe the ring structures in building block <BB_9618>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9618>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9618>. | **Token:** <BB_9618>
**SMILES:** Cn1nccc1[C@H]1[C@H](N)CCC(=O)N1C1CC1
**Molecular Formula:** C12H18N4O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9619>. | O=c1cc(N2CCN(CCO)CC2)nc[nH]1 | |
What is the building block token for the following molecule? | O=c1cc(N2CCN(CCO)CC2)nc[nH]1 | <BB_9619> |
What is the molecular formula for <BB_9619>? | The molecular formula for <BB_9619> (O=c1cc(N2CCN(CCO)CC2)nc[nH]1) is C10H16N4O2. | |
Describe the ring structures in building block <BB_9619>. | 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_9619>. | The molecule contains the following groups: Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9619>. | **Token:** <BB_9619>
**SMILES:** O=c1cc(N2CCN(CCO)CC2)nc[nH]1
**Molecular Formula:** C10H16N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9620>. | Clc1cc2c(nn1)-c1cc(Br)ccc1C2 | |
What is the building block token for the following molecule? | Clc1cc2c(nn1)-c1cc(Br)ccc1C2 | <BB_9620> |
What is the molecular formula for <BB_9620>? | The molecular formula for <BB_9620> (Clc1cc2c(nn1)-c1cc(Br)ccc1C2) is C11H6BrClN2. | |
Describe the ring structures in building block <BB_9620>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9620>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9620>. | **Token:** <BB_9620>
**SMILES:** Clc1cc2c(nn1)-c1cc(Br)ccc1C2
**Molecular Formula:** C11H6BrClN2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9621>. | CN1CCC(O)(C(=O)O)CC1.Cl | |
What is the building block token for the following molecule? | CN1CCC(O)(C(=O)O)CC1.Cl | <BB_9621> |
What is the molecular formula for <BB_9621>? | The molecular formula for <BB_9621> (CN1CCC(O)(C(=O)O)CC1.Cl) is C7H14ClNO3. | |
Describe the ring structures in building block <BB_9621>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9621>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9621>. | **Token:** <BB_9621>
**SMILES:** CN1CCC(O)(C(=O)O)CC1.Cl
**Molecular Formula:** C7H14ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9622>. | NNC(=O)Cn1nc(C(F)F)cc1C(F)F | |
What is the building block token for the following molecule? | NNC(=O)Cn1nc(C(F)F)cc1C(F)F | <BB_9622> |
What is the molecular formula for <BB_9622>? | The molecular formula for <BB_9622> (NNC(=O)Cn1nc(C(F)F)cc1C(F)F) is C7H8F4N4O. | |
Describe the ring structures in building block <BB_9622>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9622>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9622>. | **Token:** <BB_9622>
**SMILES:** NNC(=O)Cn1nc(C(F)F)cc1C(F)F
**Molecular Formula:** C7H8F4N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9623>. | CCC(C)(COC)C(=O)O | |
What is the building block token for the following molecule? | CCC(C)(COC)C(=O)O | <BB_9623> |
What is the molecular formula for <BB_9623>? | The molecular formula for <BB_9623> (CCC(C)(COC)C(=O)O) is C7H14O3. | |
Describe the ring structures in building block <BB_9623>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9623>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9623>. | **Token:** <BB_9623>
**SMILES:** CCC(C)(COC)C(=O)O
**Molecular Formula:** C7H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9624>. | Cc1cc(C(=O)O)nc(N2CCCCC2)n1 | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)nc(N2CCCCC2)n1 | <BB_9624> |
What is the molecular formula for <BB_9624>? | The molecular formula for <BB_9624> (Cc1cc(C(=O)O)nc(N2CCCCC2)n1) is C11H15N3O2. | |
Describe the ring structures in building block <BB_9624>. | 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_9624>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9624>. | **Token:** <BB_9624>
**SMILES:** Cc1cc(C(=O)O)nc(N2CCCCC2)n1
**Molecular Formula:** C11H15N3O2
**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 | |
Provide the SMILES representation for the building block token <BB_9625>. | OCc1noc2c1CC(F)(F)CC2 | |
What is the building block token for the following molecule? | OCc1noc2c1CC(F)(F)CC2 | <BB_9625> |
What is the molecular formula for <BB_9625>? | The molecular formula for <BB_9625> (OCc1noc2c1CC(F)(F)CC2) is C8H9F2NO2. | |
Describe the ring structures in building block <BB_9625>. | 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_9625>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9625>. | **Token:** <BB_9625>
**SMILES:** OCc1noc2c1CC(F)(F)CC2
**Molecular Formula:** C8H9F2NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9626>. | O=C1CCC2CN(Cc3ccccc3)CC2C1 | |
What is the building block token for the following molecule? | O=C1CCC2CN(Cc3ccccc3)CC2C1 | <BB_9626> |
What is the molecular formula for <BB_9626>? | The molecular formula for <BB_9626> (O=C1CCC2CN(Cc3ccccc3)CC2C1) is C15H19NO. | |
Describe the ring structures in building block <BB_9626>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9626>. | The molecule contains the following groups: Tertiary Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9626>. | **Token:** <BB_9626>
**SMILES:** O=C1CCC2CN(Cc3ccccc3)CC2C1
**Molecular Formula:** C15H19NO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_9627>. | C#CCS(=O)(=O)[O-].[Na+] | |
What is the building block token for the following molecule? | C#CCS(=O)(=O)[O-].[Na+] | <BB_9627> |
What is the molecular formula for <BB_9627>? | The molecular formula for <BB_9627> (C#CCS(=O)(=O)[O-].[Na+]) is C3H3NaO3S. | |
Describe the ring structures in building block <BB_9627>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9627>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9627>. | **Token:** <BB_9627>
**SMILES:** C#CCS(=O)(=O)[O-].[Na+]
**Molecular Formula:** C3H3NaO3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9628>. | COC(=O)c1ccc2[nH]cc(I)c2c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc2[nH]cc(I)c2c1 | <BB_9628> |
What is the molecular formula for <BB_9628>? | The molecular formula for <BB_9628> (COC(=O)c1ccc2[nH]cc(I)c2c1) is C10H8INO2. | |
Describe the ring structures in building block <BB_9628>. | 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_9628>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9628>. | **Token:** <BB_9628>
**SMILES:** COC(=O)c1ccc2[nH]cc(I)c2c1
**Molecular Formula:** C10H8INO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9629>. | COCn1ccc(C(=O)O)n1 | |
What is the building block token for the following molecule? | COCn1ccc(C(=O)O)n1 | <BB_9629> |
What is the molecular formula for <BB_9629>? | The molecular formula for <BB_9629> (COCn1ccc(C(=O)O)n1) is C6H8N2O3. | |
Describe the ring structures in building block <BB_9629>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9629>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9629>. | **Token:** <BB_9629>
**SMILES:** COCn1ccc(C(=O)O)n1
**Molecular Formula:** C6H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9630>. | Cl.Cl.NCCc1c[nH]c2ccncc12 | |
What is the building block token for the following molecule? | Cl.Cl.NCCc1c[nH]c2ccncc12 | <BB_9630> |
What is the molecular formula for <BB_9630>? | The molecular formula for <BB_9630> (Cl.Cl.NCCc1c[nH]c2ccncc12) is C9H13Cl2N3. | |
Describe the ring structures in building block <BB_9630>. | 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_9630>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9630>. | **Token:** <BB_9630>
**SMILES:** Cl.Cl.NCCc1c[nH]c2ccncc12
**Molecular Formula:** C9H13Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9631>. | CCCCN(C)C[C@@H](C)N | |
What is the building block token for the following molecule? | CCCCN(C)C[C@@H](C)N | <BB_9631> |
What is the molecular formula for <BB_9631>? | The molecular formula for <BB_9631> (CCCCN(C)C[C@@H](C)N) is C8H20N2. | |
Describe the ring structures in building block <BB_9631>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9631>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9631>. | **Token:** <BB_9631>
**SMILES:** CCCCN(C)C[C@@H](C)N
**Molecular Formula:** C8H20N2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9632>. | O=C1NC2(C(=O)O)CC3CC1C2C3 | |
What is the building block token for the following molecule? | O=C1NC2(C(=O)O)CC3CC1C2C3 | <BB_9632> |
What is the molecular formula for <BB_9632>? | The molecular formula for <BB_9632> (O=C1NC2(C(=O)O)CC3CC1C2C3) is C9H11NO3. | |
Describe the ring structures in building block <BB_9632>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9632>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9632>. | **Token:** <BB_9632>
**SMILES:** O=C1NC2(C(=O)O)CC3CC1C2C3
**Molecular Formula:** C9H11NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9633>. | CS(=O)(=NC(N)=S)c1cccc(Br)c1 | |
What is the building block token for the following molecule? | CS(=O)(=NC(N)=S)c1cccc(Br)c1 | <BB_9633> |
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