instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9600>. | Cc1n[nH]c(C)c1C(C)N.Cl.Cl | |
What is the building block token for the following molecule? | Cc1n[nH]c(C)c1C(C)N.Cl.Cl | <BB_9600> |
What is the molecular formula for <BB_9600>? | The molecular formula for <BB_9600> (Cc1n[nH]c(C)c1C(C)N.Cl.Cl) is C7H15Cl2N3. | |
Describe the ring structures in building block <BB_9600>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9600>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9600>. | **Token:** <BB_9600>
**SMILES:** Cc1n[nH]c(C)c1C(C)N.Cl.Cl
**Molecular Formula:** C7H15Cl2N3
**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_9601>. | CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O | <BB_9601> |
What is the molecular formula for <BB_9601>? | The molecular formula for <BB_9601> (CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O) is C12H16ClNO4S. | |
Describe the ring structures in building block <BB_9601>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9601>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9601>. | **Token:** <BB_9601>
**SMILES:** CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O
**Molecular Formula:** C12H16ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9602>. | N[C@@H]1CCCC[C@H]1O | |
What is the building block token for the following molecule? | N[C@@H]1CCCC[C@H]1O | <BB_9602> |
What is the molecular formula for <BB_9602>? | The molecular formula for <BB_9602> (N[C@@H]1CCCC[C@H]1O) is C6H13NO. | |
Describe the ring structures in building block <BB_9602>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9602>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9602>. | **Token:** <BB_9602>
**SMILES:** N[C@@H]1CCCC[C@H]1O
**Molecular Formula:** C6H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9603>. | CCC1(N)CC1(C)C.Cl | |
What is the building block token for the following molecule? | CCC1(N)CC1(C)C.Cl | <BB_9603> |
What is the molecular formula for <BB_9603>? | The molecular formula for <BB_9603> (CCC1(N)CC1(C)C.Cl) is C7H16ClN. | |
Describe the ring structures in building block <BB_9603>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9603>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9603>. | **Token:** <BB_9603>
**SMILES:** CCC1(N)CC1(C)C.Cl
**Molecular Formula:** C7H16ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9604>. | CC12CCCC(CO)(C1)C2 | |
What is the building block token for the following molecule? | CC12CCCC(CO)(C1)C2 | <BB_9604> |
What is the molecular formula for <BB_9604>? | The molecular formula for <BB_9604> (CC12CCCC(CO)(C1)C2) is C9H16O. | |
Describe the ring structures in building block <BB_9604>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9604>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9604>. | **Token:** <BB_9604>
**SMILES:** CC12CCCC(CO)(C1)C2
**Molecular Formula:** C9H16O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9605>. | O=S1(=O)CCc2cc(Br)ccc21 | |
What is the building block token for the following molecule? | O=S1(=O)CCc2cc(Br)ccc21 | <BB_9605> |
What is the molecular formula for <BB_9605>? | The molecular formula for <BB_9605> (O=S1(=O)CCc2cc(Br)ccc21) is C8H7BrO2S. | |
Describe the ring structures in building block <BB_9605>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9605>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9605>. | **Token:** <BB_9605>
**SMILES:** O=S1(=O)CCc2cc(Br)ccc21
**Molecular Formula:** C8H7BrO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9606>. | CNCCN1CCC2(CCCCC2)CC1 | |
What is the building block token for the following molecule? | CNCCN1CCC2(CCCCC2)CC1 | <BB_9606> |
What is the molecular formula for <BB_9606>? | The molecular formula for <BB_9606> (CNCCN1CCC2(CCCCC2)CC1) is C13H26N2. | |
Describe the ring structures in building block <BB_9606>. | 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_9606>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9606>. | **Token:** <BB_9606>
**SMILES:** CNCCN1CCC2(CCCCC2)CC1
**Molecular Formula:** C13H26N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9607>. | O=C1CC(=O)C(c2ccccc2)N1 | |
What is the building block token for the following molecule? | O=C1CC(=O)C(c2ccccc2)N1 | <BB_9607> |
What is the molecular formula for <BB_9607>? | The molecular formula for <BB_9607> (O=C1CC(=O)C(c2ccccc2)N1) is C10H9NO2. | |
Describe the ring structures in building block <BB_9607>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9607>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9607>. | **Token:** <BB_9607>
**SMILES:** O=C1CC(=O)C(c2ccccc2)N1
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_9608>. | Cc1cccnc1N=[N+]=[N-] | |
What is the building block token for the following molecule? | Cc1cccnc1N=[N+]=[N-] | <BB_9608> |
What is the molecular formula for <BB_9608>? | The molecular formula for <BB_9608> (Cc1cccnc1N=[N+]=[N-]) is C6H6N4. | |
Describe the ring structures in building block <BB_9608>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9608>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9608>. | **Token:** <BB_9608>
**SMILES:** Cc1cccnc1N=[N+]=[N-]
**Molecular Formula:** C6H6N4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9609>. | CO[C@@H]1CNC[C@H]1F.Cl | |
What is the building block token for the following molecule? | CO[C@@H]1CNC[C@H]1F.Cl | <BB_9609> |
What is the molecular formula for <BB_9609>? | The molecular formula for <BB_9609> (CO[C@@H]1CNC[C@H]1F.Cl) is C5H11ClFNO. | |
Describe the ring structures in building block <BB_9609>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9609>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9609>. | **Token:** <BB_9609>
**SMILES:** CO[C@@H]1CNC[C@H]1F.Cl
**Molecular Formula:** C5H11ClFNO
**Ring System:** The molecule contains 1 ring(s): 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_9610>. | CCn1c(C(=O)O)c(C=O)c2cc(Br)ccc21 | |
What is the building block token for the following molecule? | CCn1c(C(=O)O)c(C=O)c2cc(Br)ccc21 | <BB_9610> |
What is the molecular formula for <BB_9610>? | The molecular formula for <BB_9610> (CCn1c(C(=O)O)c(C=O)c2cc(Br)ccc21) is C12H10BrNO3. | |
Describe the ring structures in building block <BB_9610>. | 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_9610>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9610>. | **Token:** <BB_9610>
**SMILES:** CCn1c(C(=O)O)c(C=O)c2cc(Br)ccc21
**Molecular Formula:** C12H10BrNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9611>. | N[C@H](CO)CC(F)(F)F | |
What is the building block token for the following molecule? | N[C@H](CO)CC(F)(F)F | <BB_9611> |
What is the molecular formula for <BB_9611>? | The molecular formula for <BB_9611> (N[C@H](CO)CC(F)(F)F) is C4H8F3NO. | |
Describe the ring structures in building block <BB_9611>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9611>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9611>. | **Token:** <BB_9611>
**SMILES:** N[C@H](CO)CC(F)(F)F
**Molecular Formula:** C4H8F3NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9612>. | Cl.Nc1ccc2c(c1)CS(=O)(=O)N2 | |
What is the building block token for the following molecule? | Cl.Nc1ccc2c(c1)CS(=O)(=O)N2 | <BB_9612> |
What is the molecular formula for <BB_9612>? | The molecular formula for <BB_9612> (Cl.Nc1ccc2c(c1)CS(=O)(=O)N2) is C7H9ClN2O2S. | |
Describe the ring structures in building block <BB_9612>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9612>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9612>. | **Token:** <BB_9612>
**SMILES:** Cl.Nc1ccc2c(c1)CS(=O)(=O)N2
**Molecular Formula:** C7H9ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9613>. | Cc1ccc(S(N)(=O)=O)cc1N(C)C | |
What is the building block token for the following molecule? | Cc1ccc(S(N)(=O)=O)cc1N(C)C | <BB_9613> |
What is the molecular formula for <BB_9613>? | The molecular formula for <BB_9613> (Cc1ccc(S(N)(=O)=O)cc1N(C)C) is C9H14N2O2S. | |
Describe the ring structures in building block <BB_9613>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9613>. | The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9613>. | **Token:** <BB_9613>
**SMILES:** Cc1ccc(S(N)(=O)=O)cc1N(C)C
**Molecular Formula:** C9H14N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9614>. | C1CNc2nonc2N1 | |
What is the building block token for the following molecule? | C1CNc2nonc2N1 | <BB_9614> |
What is the molecular formula for <BB_9614>? | The molecular formula for <BB_9614> (C1CNc2nonc2N1) is C4H6N4O. | |
Describe the ring structures in building block <BB_9614>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9614>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9614>. | **Token:** <BB_9614>
**SMILES:** C1CNc2nonc2N1
**Molecular Formula:** C4H6N4O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9615>. | CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 | |
What is the building block token for the following molecule? | CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1 | <BB_9615> |
What is the molecular formula for <BB_9615>? | The molecular formula for <BB_9615> (CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1) is C11H12N2O4. | |
Describe the ring structures in building block <BB_9615>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9615>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9615>. | **Token:** <BB_9615>
**SMILES:** CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
**Molecular Formula:** C11H12N2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9616>. | O=C1CCCC(CBr)C1 | |
What is the building block token for the following molecule? | O=C1CCCC(CBr)C1 | <BB_9616> |
What is the molecular formula for <BB_9616>? | The molecular formula for <BB_9616> (O=C1CCCC(CBr)C1) is C7H11BrO. | |
Describe the ring structures in building block <BB_9616>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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