instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1183>? | The molecular formula for <BB_1183> (O=C(O)[C@@H]1C[C@H]1C1CC1) is C7H10O2. | |
Describe the ring structures in building block <BB_1183>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1183>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1183>. | **Token:** <BB_1183>
**SMILES:** O=C(O)[C@@H]1C[C@H]1C1CC1
**Molecular Formula:** C7H10O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1184>. | Fc1c(Br)ccc2ccncc12 | |
What is the building block token for the following molecule? | Fc1c(Br)ccc2ccncc12 | <BB_1184> |
What is the molecular formula for <BB_1184>? | The molecular formula for <BB_1184> (Fc1c(Br)ccc2ccncc12) is C9H5BrFN. | |
Describe the ring structures in building block <BB_1184>. | 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_1184>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1184>. | **Token:** <BB_1184>
**SMILES:** Fc1c(Br)ccc2ccncc12
**Molecular Formula:** C9H5BrFN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1185>. | O=C(O)C1CCCCN1 | |
What is the building block token for the following molecule? | O=C(O)C1CCCCN1 | <BB_1185> |
What is the molecular formula for <BB_1185>? | The molecular formula for <BB_1185> (O=C(O)C1CCCCN1) is C6H11NO2. | |
Describe the ring structures in building block <BB_1185>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1185>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1185>. | **Token:** <BB_1185>
**SMILES:** O=C(O)C1CCCCN1
**Molecular Formula:** C6H11NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1186>. | C[C@H](N)c1ccncc1O.Cl.Cl | |
What is the building block token for the following molecule? | C[C@H](N)c1ccncc1O.Cl.Cl | <BB_1186> |
What is the molecular formula for <BB_1186>? | The molecular formula for <BB_1186> (C[C@H](N)c1ccncc1O.Cl.Cl) is C7H12Cl2N2O. | |
Describe the ring structures in building block <BB_1186>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1186>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1186>. | **Token:** <BB_1186>
**SMILES:** C[C@H](N)c1ccncc1O.Cl.Cl
**Molecular Formula:** C7H12Cl2N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1187>. | CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1=O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1=O | <BB_1187> |
What is the molecular formula for <BB_1187>? | The molecular formula for <BB_1187> (CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1=O) is C14H23NO3. | |
Describe the ring structures in building block <BB_1187>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1187>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1187>. | **Token:** <BB_1187>
**SMILES:** CC(C)(C)OC(=O)N1CCC2(CCCCC2)C1=O
**Molecular Formula:** C14H23NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1188>. | COC(=O)c1nccc(N)c1Cl | |
What is the building block token for the following molecule? | COC(=O)c1nccc(N)c1Cl | <BB_1188> |
What is the molecular formula for <BB_1188>? | The molecular formula for <BB_1188> (COC(=O)c1nccc(N)c1Cl) is C7H7ClN2O2. | |
Describe the ring structures in building block <BB_1188>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1188>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1188>. | **Token:** <BB_1188>
**SMILES:** COC(=O)c1nccc(N)c1Cl
**Molecular Formula:** C7H7ClN2O2
**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_1189>. | Brc1ccccc1Oc1cnccn1 | |
What is the building block token for the following molecule? | Brc1ccccc1Oc1cnccn1 | <BB_1189> |
What is the molecular formula for <BB_1189>? | The molecular formula for <BB_1189> (Brc1ccccc1Oc1cnccn1) is C10H7BrN2O. | |
Describe the ring structures in building block <BB_1189>. | 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_1189>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1189>. | **Token:** <BB_1189>
**SMILES:** Brc1ccccc1Oc1cnccn1
**Molecular Formula:** C10H7BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1190>. | CCC(C(C)=O)C(C)=O | |
What is the building block token for the following molecule? | CCC(C(C)=O)C(C)=O | <BB_1190> |
What is the molecular formula for <BB_1190>? | The molecular formula for <BB_1190> (CCC(C(C)=O)C(C)=O) is C7H12O2. | |
Describe the ring structures in building block <BB_1190>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1190>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1190>. | **Token:** <BB_1190>
**SMILES:** CCC(C(C)=O)C(C)=O
**Molecular Formula:** C7H12O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1191>. | C=CCN(CC=C)C(=O)c1ccc(N)cc1 | |
What is the building block token for the following molecule? | C=CCN(CC=C)C(=O)c1ccc(N)cc1 | <BB_1191> |
What is the molecular formula for <BB_1191>? | The molecular formula for <BB_1191> (C=CCN(CC=C)C(=O)c1ccc(N)cc1) is C13H16N2O. | |
Describe the ring structures in building block <BB_1191>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1191>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1191>. | **Token:** <BB_1191>
**SMILES:** C=CCN(CC=C)C(=O)c1ccc(N)cc1
**Molecular Formula:** C13H16N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1192>. | Cc1nc(C(=O)O)nn1-c1ccccn1 | |
What is the building block token for the following molecule? | Cc1nc(C(=O)O)nn1-c1ccccn1 | <BB_1192> |
What is the molecular formula for <BB_1192>? | The molecular formula for <BB_1192> (Cc1nc(C(=O)O)nn1-c1ccccn1) is C9H8N4O2. | |
Describe the ring structures in building block <BB_1192>. | 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_1192>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1192>. | **Token:** <BB_1192>
**SMILES:** Cc1nc(C(=O)O)nn1-c1ccccn1
**Molecular Formula:** C9H8N4O2
**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_1193>. | CC(Cl)c1ccon1 | |
What is the building block token for the following molecule? | CC(Cl)c1ccon1 | <BB_1193> |
What is the molecular formula for <BB_1193>? | The molecular formula for <BB_1193> (CC(Cl)c1ccon1) is C5H6ClNO. | |
Describe the ring structures in building block <BB_1193>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1193>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1193>. | **Token:** <BB_1193>
**SMILES:** CC(Cl)c1ccon1
**Molecular Formula:** C5H6ClNO
**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_1194>. | FC(F)(F)c1ccc(Br)c(C(F)(F)F)n1 | |
What is the building block token for the following molecule? | FC(F)(F)c1ccc(Br)c(C(F)(F)F)n1 | <BB_1194> |
What is the molecular formula for <BB_1194>? | The molecular formula for <BB_1194> (FC(F)(F)c1ccc(Br)c(C(F)(F)F)n1) is C7H2BrF6N. | |
Describe the ring structures in building block <BB_1194>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1194>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1194>. | **Token:** <BB_1194>
**SMILES:** FC(F)(F)c1ccc(Br)c(C(F)(F)F)n1
**Molecular Formula:** C7H2BrF6N
**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_1195>. | COC(=O)c1n[nH]c2cccc(C)c12 | |
What is the building block token for the following molecule? | COC(=O)c1n[nH]c2cccc(C)c12 | <BB_1195> |
What is the molecular formula for <BB_1195>? | The molecular formula for <BB_1195> (COC(=O)c1n[nH]c2cccc(C)c12) is C10H10N2O2. | |
Describe the ring structures in building block <BB_1195>. | 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_1195>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1195>. | **Token:** <BB_1195>
**SMILES:** COC(=O)c1n[nH]c2cccc(C)c12
**Molecular Formula:** C10H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1196>. | O=C(O)c1nn(C(F)F)cc1Cl | |
What is the building block token for the following molecule? | O=C(O)c1nn(C(F)F)cc1Cl | <BB_1196> |
What is the molecular formula for <BB_1196>? | The molecular formula for <BB_1196> (O=C(O)c1nn(C(F)F)cc1Cl) is C5H3ClF2N2O2. | |
Describe the ring structures in building block <BB_1196>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1196>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1196>. | **Token:** <BB_1196>
**SMILES:** O=C(O)c1nn(C(F)F)cc1Cl
**Molecular Formula:** C5H3ClF2N2O2
**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_1197>. | Cl.O=C1COCC(=O)N1C1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C1COCC(=O)N1C1CCNCC1 | <BB_1197> |
What is the molecular formula for <BB_1197>? | The molecular formula for <BB_1197> (Cl.O=C1COCC(=O)N1C1CCNCC1) is C9H15ClN2O3. | |
Describe the ring structures in building block <BB_1197>. | 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_1197>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1197>. | **Token:** <BB_1197>
**SMILES:** Cl.O=C1COCC(=O)N1C1CCNCC1
**Molecular Formula:** C9H15ClN2O3
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1198>. | Cn1c(C#N)cnc1Cl | |
What is the building block token for the following molecule? | Cn1c(C#N)cnc1Cl | <BB_1198> |
What is the molecular formula for <BB_1198>? | The molecular formula for <BB_1198> (Cn1c(C#N)cnc1Cl) is C5H4ClN3. | |
Describe the ring structures in building block <BB_1198>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1198>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1198>. | **Token:** <BB_1198>
**SMILES:** Cn1c(C#N)cnc1Cl
**Molecular Formula:** C5H4ClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1199>. | COCCN1CCNCC1C | |
What is the building block token for the following molecule? | COCCN1CCNCC1C | <BB_1199> |
What is the molecular formula for <BB_1199>? | The molecular formula for <BB_1199> (COCCN1CCNCC1C) is C8H18N2O. | |
Describe the ring structures in building block <BB_1199>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1199>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1199>. | **Token:** <BB_1199>
**SMILES:** COCCN1CCNCC1C
**Molecular Formula:** C8H18N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether |
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