task
stringclasses
5 values
input
stringlengths
89
339
canonicalization
### Instruction: Canonicalize the following SMILES string. C1OCCC2(OCC[C@@H](C2)[C@H](O)c2ccccc2OC)C1 ### Response: COc1ccccc1[C@@H](O)[C@H]1CCOC2(CCOCC2)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccccc1-c1nn2c(=O)cc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2s1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. N#C[C@H](c1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ### Response: CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1Cc2n(nc(C(=O)Nc3scc(-c4ccc(cc4)CNC(C)=O)n3)c2C1)-c1ccc(F)cc1 ### Response: CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)n2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(cc(ccc1F)OCC(=O)N1C[C@@H](c2nc(C)no2)CCC1)Cl ### Response: Cc1noc([C@H]2CCCN(C(=O)COc3ccc(F)c(Cl)c3)C2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc([16*])cc1 Fragment 2: [3*]Oc1ccc(N[5*])cc1 ### Response: C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)N1CCNC1=O
functional_group
### Instruction: Does the molecule contain a halide group? CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc2c(c1)C[NH2+]CCC2 Fragment 2: [8*]C(C)C ### Response: CC(C)c1ccc2c(c1)C[NH2+]CCC2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a aldehyde group? Cn1cc(-c2ccccc2)c2ncnc(Cl)c21 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)cc1F ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cn1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3C2=O)c1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@H]1[NH+]=c2ccccc2=[NH+]C1=O Fragment 2: [1*]C(=O)C(C)C ### Response: CC(C)C(=O)Nc1ccccc1[C@H]1[NH+]=c2ccccc2=[NH+]C1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc(C[NH+]2CC[C@@H]([NH+]3CCCC3)C2)ccc1OCC(=O)N1CCCC1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[S@@](=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(=O)ccc(-c2cccc([N+]([O-])=O)c2)nn1CC(N[C@H]1CCC[C@H]([C@H]1C)C)=O ### Response: C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O
functional_group
### Instruction: Does the molecule contain a ether group? O=C(CN1CCCOC1=O)Nc1ccc(Cl)cc1F ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc2c(c1)CCc1sc(/N=C/c3cccnc3)nc1-2 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(F)c(c1)C(NC[C@H](CC)Oc1cccc(c1)F)=O ### Response: CC[C@@H](CNC(=O)c1ccccc1F)Oc1cccc(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. Fc1ccc(N(CC)S(=O)(C[C@H](CCl)C)=O)cc1 ### Response: CCN(c1ccc(F)cc1)S(=O)(=O)C[C@@H](C)CCl
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCCCC#N Fragment 2: [1*]C(=O)[C@H]1CC[C@H](C[NH3+])O1 ### Response: N#CCCCNC(=O)[C@H]1CC[C@H](C[NH3+])O1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+](C)[C@@H]([8*])C Fragment 2: [4*][C@H](C)c1sc(CC)nc1C ### Response: CCc1nc(C)c([C@@H](C)[NH+](C)Cc2c(C)nc3sccn23)s1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@H](CO)NC(=O)Nc1ccccc1OC(F)(F)F ### Response: 4
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(=O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c[nH]1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ether group? Cc1cc(C)c2nc(N3CCC(C(=O)NCCCOC(C)C)CC3)sc2c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cc(Cl)ccc1/N=C/c1cc(Br)ccc1O ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C(\C)c1ccc(F)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CCN[5*] Fragment 2: [5*]NC(C)C ### Response: CC(C)NC(=O)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCO[C@H]([13*])C1 Fragment 2: [1*]C(=O)c1c2c(nn1C)CCCC2 ### Response: COc1cccc(-c2noc([C@@H]3CN(C(=O)c4c5c(nn4C)CCCC5)CCO3)n2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 Fragment 2: [4*]Cc1ccc([S@@](C)=O)cc1 ### Response: C[C@@H]1C[NH+]=C(N2CCN(Cc3ccc([S@@](C)=O)cc3)CC2)S1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(Br)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCC[C@@H](COC)NC(=O)N1CCOC[C@H]1C1CC1 ### Response: 6
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cc([N+](=O)[O-])ccc1OC Fragment 2: [5*]NC(=S)N[5*] ### Response: COc1ccc([N+](=O)[O-])cc1NC(=S)NC(C)C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1cnn(C)c1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCn1nc(C)cc1C(=O)N1C[C@@H](C)CC[C@H]1C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. Clc1c(C(N(C)CC(Nc2ccc(c(Cl)c2)Cl)=O)=O)cccc1 ### Response: CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1Cl
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CS[C@H]1CC[C@@H](NC(=O)c2cc(F)ccc2NC(=O)[C@H]2C[C@@H]2C)C1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1cc(F)ccc1F ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCOCC1 Fragment 2: [3*]OCC([6*])=O ### Response: O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CCC1 Fragment 2: [5*][NH+]1CC[C@]2(CCCN([10*])C2=O)C1 ### Response: Cc1[nH+]ccn1CC[NH+]1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [15*][C@@H]1CCS(=O)(=O)C1 ### Response: O=C([O-])[C@@H](CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC(=S)NNC(=O)C[C@H](C)C(C)C Fragment 2: [15*]C1CCCCC1 ### Response: CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(O)c(C(=O)OCC(=O)C2=c3ccccc3=[NH+]C2)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1cc(Br)ccc1C(=O)NC1CCCCC1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCCCC2)c1C ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCN(Cc1cccc(C)n1)c1[nH+]c(C)cc(C)c1CO ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)[O-])s3)c2C)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(F)ccc([C@@H](CNC(=O)N[C@@H](CC)c2c(C)nn(c2C)C)C)cc1F ### Response: CC[C@H](NC(=O)NC[C@@H](C)c1ccc(F)c(F)c1)c1c(C)nn(C)c1C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC[C@@H]1[13*] Fragment 2: [8*]C(C)C ### Response: Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)sc1/C=C/C(=O)[O-]
canonicalization
### Instruction: Canonicalize the following SMILES string. C1(N)=C([C@H](c2c(c3c(sc2=O)cccc3)O1)c1c(Cl)cccc1)C#N ### Response: N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cccc2ccccc12 Fragment 2: [5*]N[C@H]1C(=O)N=C(S[11*])NC1=O ### Response: CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)NC1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc(OC)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C=CCN/C(C)=[NH+]/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOC(=O)c1cnc(-c2cccnc2)nc1Cl ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCn1c(=O)n(CC(=O)NCc2ccc(F)c(C)c2)c2ccccc21 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amine group? CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? NC(=O)[C@@H]1COCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=S(=O)(NCCO)c1cccc2cccnc12 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cnc(C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cn1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](SC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc(OC)c(OC)c1 Fragment 2: [14*]c1ccc([14*])nn1 ### Response: CCOc1ccc(-c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)nn1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? COc1ccc(CCc2nc3nccc(-c4cccnc4)n3n2)cc1OC ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H]1CCC[NH+](CCNC(=O)C(=O)Nc2ccc3ncccc3c2)C1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [16*]c1ccccc1 ### Response: O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[8*] Fragment 2: [4*][C@@H](C)CN[5*] ### Response: CCN1CCN(CC(=O)NC[C@H](C)[NH+](C)C2CC2)C(=O)C1=O
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc(C(=O)N[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[C@@H](NC(=O)N(Cc1cccnc1)C(C)C)c1ccccn1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cc(C#N)ccc1F Fragment 2: [5*]N[C@H](C)CCC ### Response: CCC[C@@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2cc(C#N)ccc2F)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@H](OC2CCCC2)[C@@H](CCC1)NC(Cc1cc([nH]n1)C)=O ### Response: Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)n[nH]1
functional_group
### Instruction: Does the molecule contain a thiol group? O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc(F)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](CCc1ccco1)NC(=O)c1cccn1CC(=O)[O-] ### Response: 4
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(cc(c(c1Br)OCC#N)OC)/C=C1\NC(=O)NC1=O ### Response: COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCC#N
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1sccn1 ### Response: COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1nccs1
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@H]1CN(C(=O)C(C)(C)/C(N)=N/O)C[C@H]1C ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN)c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)CC(C)C ### Response: 4
functional_group
### Instruction: Does the molecule contain a ketone group? O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2[nH]c1=O ### Response: No
functional_group
### Instruction: Does the molecule contain a phenol group? CCCc1cc(=O)n2ncc(-c3ccc(OC)cc3)c2[nH]1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COC(=O)Nc1ccc(-c2cnc(C)o2)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc([C@@H](C)NC(=O)C(=O)Nc2cccnc2N2CCOCC2)c(C)o1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCCCO Fragment 2: [5*]NCc1cccc([16*])c1 ### Response: O=C(NCCCO)NCc1cccc(Oc2ccccc2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)OC(C)C)ccc34)c(=O)oc12 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H](C(=O)NCc1ccco1)n1nc(-c2ccc(F)cc2)ccc1=O ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@H]1(C[C@@H](CC1)Nc1ccc(cc1)C(OCCC)=O)[NH3+] ### Response: CCCOC(=O)c1ccc(N[C@@H]2CC[C@H]([NH3+])C2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1c(C)cc(Cl)cc1C=O Fragment 2: [1*]C(=O)C[4*] ### Response: COc1ccc(CNC(=O)COc2c(C)cc(Cl)cc2C=O)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCO[C@H]([13*])C1 Fragment 2: [14*]c1cnc([14*])s1 ### Response: O=C(Nc1cnc(-c2ccccc2)s1)N1CCO[C@H](c2ccccc2)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. S(=O)(c1cccc2c1nccc2)(=O)NC[C@@H](O)C1CCCCC1 ### Response: O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc2cccnc12
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)n1c(N)c(C(=O)CCl)c(=O)[nH]c1=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a amine group? CC(=O)Nc1ccc(NCc2cn3c(C)cc(C)nc3n2)c(Cl)c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSCc1ccc(Cl)cc1 ### Response: 2