instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1100>. | CC1(S(N)(=O)=O)CCCC1 | |
What is the building block token for the following molecule? | CC1(S(N)(=O)=O)CCCC1 | <BB_1100> |
What is the molecular formula for <BB_1100>? | The molecular formula for <BB_1100> (CC1(S(N)(=O)=O)CCCC1) is C6H13NO2S. | |
Describe the ring structures in building block <BB_1100>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1100>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1100>. | **Token:** <BB_1100>
**SMILES:** CC1(S(N)(=O)=O)CCCC1
**Molecular Formula:** C6H13NO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1101>. | CCOS(=O)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | CCOS(=O)c1ccc(Cl)cc1 | <BB_1101> |
What is the molecular formula for <BB_1101>? | The molecular formula for <BB_1101> (CCOS(=O)c1ccc(Cl)cc1) is C8H9ClO2S. | |
Describe the ring structures in building block <BB_1101>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1101>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1101>. | **Token:** <BB_1101>
**SMILES:** CCOS(=O)c1ccc(Cl)cc1
**Molecular Formula:** C8H9ClO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1102>. | Cc1cc(Cl)nc(N)c1C(=O)O | |
What is the building block token for the following molecule? | Cc1cc(Cl)nc(N)c1C(=O)O | <BB_1102> |
What is the molecular formula for <BB_1102>? | The molecular formula for <BB_1102> (Cc1cc(Cl)nc(N)c1C(=O)O) is C7H7ClN2O2. | |
Describe the ring structures in building block <BB_1102>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1102>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1102>. | **Token:** <BB_1102>
**SMILES:** Cc1cc(Cl)nc(N)c1C(=O)O
**Molecular Formula:** C7H7ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1103>. | CC1(C)OCC1N.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | CC1(C)OCC1N.O=C(O)C(F)(F)F | <BB_1103> |
What is the molecular formula for <BB_1103>? | The molecular formula for <BB_1103> (CC1(C)OCC1N.O=C(O)C(F)(F)F) is C7H12F3NO3. | |
Describe the ring structures in building block <BB_1103>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1103>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1103>. | **Token:** <BB_1103>
**SMILES:** CC1(C)OCC1N.O=C(O)C(F)(F)F
**Molecular Formula:** C7H12F3NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1104>. | COC(=O)c1sc2cc(F)ccc2c1N | |
What is the building block token for the following molecule? | COC(=O)c1sc2cc(F)ccc2c1N | <BB_1104> |
What is the molecular formula for <BB_1104>? | The molecular formula for <BB_1104> (COC(=O)c1sc2cc(F)ccc2c1N) is C10H8FNO2S. | |
Describe the ring structures in building block <BB_1104>. | 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_1104>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1104>. | **Token:** <BB_1104>
**SMILES:** COC(=O)c1sc2cc(F)ccc2c1N
**Molecular Formula:** C10H8FNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1105>. | O=C(CCl)Nc1ccon1 | |
What is the building block token for the following molecule? | O=C(CCl)Nc1ccon1 | <BB_1105> |
What is the molecular formula for <BB_1105>? | The molecular formula for <BB_1105> (O=C(CCl)Nc1ccon1) is C5H5ClN2O2. | |
Describe the ring structures in building block <BB_1105>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1105>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1105>. | **Token:** <BB_1105>
**SMILES:** O=C(CCl)Nc1ccon1
**Molecular Formula:** C5H5ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1106>. | CCn1cc(Br)nc1C | |
What is the building block token for the following molecule? | CCn1cc(Br)nc1C | <BB_1106> |
What is the molecular formula for <BB_1106>? | The molecular formula for <BB_1106> (CCn1cc(Br)nc1C) is C6H9BrN2. | |
Describe the ring structures in building block <BB_1106>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1106>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1106>. | **Token:** <BB_1106>
**SMILES:** CCn1cc(Br)nc1C
**Molecular Formula:** C6H9BrN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1107>. | BrCCOCCc1ccccc1 | |
What is the building block token for the following molecule? | BrCCOCCc1ccccc1 | <BB_1107> |
What is the molecular formula for <BB_1107>? | The molecular formula for <BB_1107> (BrCCOCCc1ccccc1) is C10H13BrO. | |
Describe the ring structures in building block <BB_1107>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1107>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1107>. | **Token:** <BB_1107>
**SMILES:** BrCCOCCc1ccccc1
**Molecular Formula:** C10H13BrO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1108>. | Cl.NCC1CCC2CC2C1 | |
What is the building block token for the following molecule? | Cl.NCC1CCC2CC2C1 | <BB_1108> |
What is the molecular formula for <BB_1108>? | The molecular formula for <BB_1108> (Cl.NCC1CCC2CC2C1) is C8H16ClN. | |
Describe the ring structures in building block <BB_1108>. | 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_1108>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1108>. | **Token:** <BB_1108>
**SMILES:** Cl.NCC1CCC2CC2C1
**Molecular Formula:** C8H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1109>. | O[B-](O)(O)c1ncc(C(F)(F)F)cc1Cl.[Li+] | |
What is the building block token for the following molecule? | O[B-](O)(O)c1ncc(C(F)(F)F)cc1Cl.[Li+] | <BB_1109> |
What is the molecular formula for <BB_1109>? | The molecular formula for <BB_1109> (O[B-](O)(O)c1ncc(C(F)(F)F)cc1Cl.[Li+]) is C6H5BClF3LiNO3. | |
Describe the ring structures in building block <BB_1109>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1109>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1109>. | **Token:** <BB_1109>
**SMILES:** O[B-](O)(O)c1ncc(C(F)(F)F)cc1Cl.[Li+]
**Molecular Formula:** C6H5BClF3LiNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1110>. | NC(=O)CN=C=S | |
What is the building block token for the following molecule? | NC(=O)CN=C=S | <BB_1110> |
What is the molecular formula for <BB_1110>? | The molecular formula for <BB_1110> (NC(=O)CN=C=S) is C3H4N2OS. | |
Describe the ring structures in building block <BB_1110>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1110>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1110>. | **Token:** <BB_1110>
**SMILES:** NC(=O)CN=C=S
**Molecular Formula:** C3H4N2OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1111>. | COc1c(O)ccnc1F | |
What is the building block token for the following molecule? | COc1c(O)ccnc1F | <BB_1111> |
What is the molecular formula for <BB_1111>? | The molecular formula for <BB_1111> (COc1c(O)ccnc1F) is C6H6FNO2. | |
Describe the ring structures in building block <BB_1111>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1111>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1111>. | **Token:** <BB_1111>
**SMILES:** COc1c(O)ccnc1F
**Molecular Formula:** C6H6FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1112>. | Cc1ncsc1-c1ccc(CN)c(O)c1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1ncsc1-c1ccc(CN)c(O)c1.Cl.Cl | <BB_1112> |
What is the molecular formula for <BB_1112>? | The molecular formula for <BB_1112> (Cc1ncsc1-c1ccc(CN)c(O)c1.Cl.Cl) is C11H14Cl2N2OS. | |
Describe the ring structures in building block <BB_1112>. | 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_1112>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1112>. | **Token:** <BB_1112>
**SMILES:** Cc1ncsc1-c1ccc(CN)c(O)c1.Cl.Cl
**Molecular Formula:** C11H14Cl2N2OS
**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_1113>. | CN[C@H]1CCC[C@]1(C)O | |
What is the building block token for the following molecule? | CN[C@H]1CCC[C@]1(C)O | <BB_1113> |
What is the molecular formula for <BB_1113>? | The molecular formula for <BB_1113> (CN[C@H]1CCC[C@]1(C)O) is C7H15NO. | |
Describe the ring structures in building block <BB_1113>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1113>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1113>. | **Token:** <BB_1113>
**SMILES:** CN[C@H]1CCC[C@]1(C)O
**Molecular Formula:** C7H15NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_1114>. | O=C(NC1CC1)C(Br)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(NC1CC1)C(Br)c1ccc(F)cc1 | <BB_1114> |
What is the molecular formula for <BB_1114>? | The molecular formula for <BB_1114> (O=C(NC1CC1)C(Br)c1ccc(F)cc1) is C11H11BrFNO. | |
Describe the ring structures in building block <BB_1114>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1114>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1114>. | **Token:** <BB_1114>
**SMILES:** O=C(NC1CC1)C(Br)c1ccc(F)cc1
**Molecular Formula:** C11H11BrFNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1115>. | CCOC(=O)c1cc(Cl)c(Cl)cc1N | |
What is the building block token for the following molecule? | CCOC(=O)c1cc(Cl)c(Cl)cc1N | <BB_1115> |
What is the molecular formula for <BB_1115>? | The molecular formula for <BB_1115> (CCOC(=O)c1cc(Cl)c(Cl)cc1N) is C9H9Cl2NO2. | |
Describe the ring structures in building block <BB_1115>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1115>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1115>. | **Token:** <BB_1115>
**SMILES:** CCOC(=O)c1cc(Cl)c(Cl)cc1N
**Molecular Formula:** C9H9Cl2NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1116>. | O=C([O-])c1ncnn2cccc12.[K+] | |
What is the building block token for the following molecule? | O=C([O-])c1ncnn2cccc12.[K+] | <BB_1116> |
What is the molecular formula for <BB_1116>? | The molecular formula for <BB_1116> (O=C([O-])c1ncnn2cccc12.[K+]) is C7H4KN3O2. | |
Describe the ring structures in building block <BB_1116>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. |
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