task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[NH+]1CCCCC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCN(CC)CC1 Fragment 2: [4*]C[C@@H]1CCCO1 ### Response: CCN1CCN(c2nc(NC[C@@H]3CCCO3)c3ccccc3[nH+]2)CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccnc1)C1CC1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amine group? O=C(NCc1ccnc(OCC(F)F)c1)NCc1cscn1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1nnc([14*])o1 Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(C(F)(F)F)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN(CC(=O)NCC(F)(F)F)C(=O)[C@](C)(N)C(F)(F)F ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc(CN(C(=O)c2cccnc2C)C(C)C)c1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1nc[nH]n1 Fragment 2: [5*]NC[C@@H]1CCC[NH+]([5*])C1 ### Response: O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2F)C1)c1nc[nH]n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C[C@H]([8*])[NH2+]C Fragment 2: [13*][C@@H]1COCCO1 ### Response: C[NH2+][C@H](Cc1ccc(C)cn1)[C@@H]1COCCO1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@H]([4*])C Fragment 2: [10*]N1CCNC1=O ### Response: COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1
canonicalization
### Instruction: Canonicalize the following SMILES string. Cc1cc(ccc1)N(C)C(c1cc(C)c(cc1)[N+]([O-])=O)=O ### Response: Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1cc(C)c(F)cc1[16*] Fragment 2: [16*]c1cc(C)c(F)cc1[16*] ### Response: C[NH2+][C@@H](C)c1cc(F)c(C)cc1Sc1cnccn1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@]([8*])(C)O Fragment 2: [15*][C@H]1CC[C@H](C)C[C@H]1C ### Response: C[C@H]1CC[C@H](NC(=O)NC[C@](C)(O)c2ccsc2)[C@H](C)C1
functional_group
### Instruction: Does the molecule contain a phenol group? Cc1oc2ncnc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)c2c1C ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C[C@H](OCC1)CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ### Response: NS(=O)(=O)NC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccs1 Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(N[5*])cc1 Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Nc2ccccc2)cc1
functional_group
### Instruction: Does the molecule contain a aldehyde group? CC(C)[NH2+]Cc1ccc(-c2cscc2Br)cc1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C1CC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CNS(=O)(=O)c1cc(-c2ccc(Nc3ccc(F)cc3F)nn2)ccc1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCCS1(=O)=O Fragment 2: [9*]n1c([14*])nc2ccccc21 ### Response: O=C(Cn1c(SC(F)F)nc2ccccc21)N1CCCS1(=O)=O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[NH2+]Cc1c(C)nn(C)c1Oc1ccccc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccs1 Fragment 2: [5*]Nc1cccc([16*])c1 ### Response: C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(-c2cn[nH]c2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1cnc2c(sc3nc([14*])cc(C)c32)c1=O Fragment 2: [8*]CC(=O)[O-] ### Response: Cc1cc(N2CCCC2)nc2sc3c(=O)n(CC(=O)[O-])cnc3c12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCS[C@H]1CC[C@@H]([NH+](C)Cc2nc3c(F)cccc3[nH]2)C1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nc(NC(=O)c2ccncc2C#CCCO)sc1C ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccccc1CC(=O)N1CCC(NC(=O)CC2CCC2)CC1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ketone group? CCOc1cccc([C@H]([NH3+])CSc2ccc(C)cc2)c1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Clc1ccc(CNc2ncccc2Cl)cn1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COCCNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1CC1 Fragment 2: [4*]Cc1ccc(C)cc1 ### Response: Cc1ccc(CN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CC2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN([C@@H]1CCC[NH+](C)C1)[C@@]1(C[NH3+])CCCC1(C)C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. Clc1c([C@@H]2N(CCCOC)C(C([O-])=C2C(=O)c2ccc3O[C@@H](C)Cc3c2)=O)ccc(c1)Cl ### Response: COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Cl)cc1Cl
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(-c2ccc(cn2)F)noc1[C@H](C)[C@@H]([NH2+]C)C ### Response: C[NH2+][C@@H](C)[C@@H](C)c1nc(-c2ccc(F)cn2)no1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1[C@@H](C)CCN1C(=O)c1cnn2cc(Br)cnc12 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc4ncccc4c32)ccc1OC(C)=O ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. N(C(=O)c1ccc(O)cc1)/N=C(/C)C1CC1 ### Response: C/C(=N/NC(=O)c1ccc(O)cc1)C1CC1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccccc1/[NH+]=c1\scc(-c2cccc([N+](=O)[O-])c2)n1CCO ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc2c(c1)OCCO2 Fragment 2: [16*]c1ccoc1 ### Response: O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccoc1
functional_group
### Instruction: Does the molecule contain a amide group? Cc1nn(C)cc1CN1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N[C@@H]1CCCC[C@H]1NCc1cnc(Cl)nc1Cl ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCCCCC1 Fragment 2: [5*]NCc1cccc(N[5*])c1 ### Response: CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C[NH+]2CCCCCC2)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)NNC(=O)Cc2c[nH]c3ccccc23)C1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C1C=CC(=O)N1c1ccc(-c2nc3ccccc3[nH]2)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C[C@H]1CCC[NH+](CCNC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1noc(C)c1CN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1C[C@H]1CCCO1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc(Cl)cc1F Fragment 2: [5*]N1CCC([15*])CC1 ### Response: O=C(c1ccc(Cl)cc1F)N1CCC(CCc2ccc(O)cc2)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1c(C)cc(CN(C)C(=O)c2ccc([S@](=O)C(C)C)cc2)cc1C ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(c1cccc(S(NCc2cccs2)(=O)=O)c1)N(C[C@H]1Oc2c(OC1)cccc2)C ### Response: CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C1CCc2cc(OCc3ccc(C(=O)Nc4cccc(NC(=O)C5CC5)c4)o3)ccc2N1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? Cc1nc(-c2ccc(OS(=O)(=O)c3ccccc3-c3ccccc3)cc2)no1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H]([NH3+])CCCc1cccc(O)c1 ### Response: 7
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(sc(n1)CC)[C@H]1NC(c2cccnc2N1)=O ### Response: CCc1ncc([C@H]2NC(=O)c3cccnc3N2)s1
functional_group
### Instruction: Does the molecule contain a ether group? Cc1cc(C)n(CCOC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C ### Response: 2
functional_group
### Instruction: Does the molecule contain a halide group? CSCC[C@H]1NC(=S)N([C@@H](C)c2ccccc2Cl)C1=O ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1Oc2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cccc2[C@@H]1C ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CO[C@H]1CCC[C@@H](OC(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ### Response: 4
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cn1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)C[C@H](NC(=O)c1csc2ncccc2c1=O)C(=O)N1CCc2ccccc21 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCN(CC)S(=O)(=O)c1ccc(NCc2cc(C#N)ccc2F)cc1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1CCS(=O)(=O)C1 Fragment 2: [5*]N([5*])[C@H]1CCS(=O)(=O)C1 ### Response: CCCCN(C(=O)N[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. [N+](c1cc(ccc1NC(NC[C@@H](c1ccc(C)o1)N1CCOCC1)=O)OC)(=O)[O-] ### Response: COc1ccc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c([N+](=O)[O-])c1
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)no1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1c(NC(=O)C(=O)NCC2(C)Cc3ccccc3C2)cccc1C(N)=O ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC[C@@H]1[13*] Fragment 2: [1*]C(=O)c1cccc(S([12*])(=O)=O)c1 ### Response: C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2)C[C@H](C)O1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(N2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)nc(C(C)C)[nH+]1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nn(CC(=O)N(C)CCOCC2CC2)c(=O)c2ccccc12 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc(Cl)c(N)c1 Fragment 2: [5*]N([5*])C(CC)CC ### Response: CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1
functional_group
### Instruction: Does the molecule contain a nitrile group? COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(C)no1)CC2 ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc(S[C@@H]2CCCCNC2=O)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a carboxyl group? CCCc1nc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2C)no1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[NH+](CCCN(C(=O)[C@H]2CCO[C@@H]2C)C1)CC(=O)N(C)C ### Response: C[C@H]1OCC[C@@H]1C(=O)N1CCC[NH+](CC(=O)N(C)C)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC[4*] Fragment 2: [8*]CC[NH3+] ### Response: C[C@@H]1C[NH+](CCOc2ccc(CC[NH3+])cc2)C[C@@H]1C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)on1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC1CCN(C(=O)c2ccc(NC[C@@H](C)C[C@@H](C)O)nc2)CC1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a nitrile group? C=CCSc1nnc(C2CCOCC2)n1N ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [7*]C/C=C1/C(=O)N([10*])C(=S)N=C1[O-] Fragment 2: [7*]C/C=C\c1ccco1 ### Response: COc1ccccc1N1C(=O)/C(=C/C=C\c2ccco2)C([O-])=NC1=S
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@@H]1CCCCNC1=O Fragment 2: [6*]C(=O)[O-] ### Response: O=C([O-])c1ccc(O[C@@H]2CCCCNC2=O)cn1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@H](C)S(=O)(=O)C(C)C Fragment 2: [5*]NCc1nc(C)sc1C ### Response: Cc1nc(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)c(C)s1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CC[NH2+][C@@H]1C[C@@H](C)C[C@H](C)[C@@H]1S(=O)(=O)c1cccc(F)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H]1CC[C@H](C)[S+]1c1cc(O)ccc1O ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1nnc([14*])n1N Fragment 2: [4*][C@H](C)C(N)=O ### Response: C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(N)=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)[NH2+]C[C@@H]1CCCO[C@@H]1c1cc(Cl)cs1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cccc(S(C)(=O)=O)c1 Fragment 2: [11*]SCCCC ### Response: CCCCS[C@@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1
functional_group
### Instruction: Does the molecule contain a halide group? CCC[NH+]1CCN(C[C@@H]2CCC(C)(C)[C@@H]2[NH2+]C)CC1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. CCC(=O)N1C[C@H](C(=O)NCc2n3CCCCc3nn2)CCC1 ### Response: CCC(=O)N1CCC[C@@H](C(=O)NCc2nnc3n2CCCC3)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CCCC Fragment 2: [9*]n1c(N)nc2cc(Br)cnc21 ### Response: CCCCn1c(N)nc2cc(Br)cnc21
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3cc(C)n(C(C)C)n3)sc2c1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccc([N+](=O)[O-])c1 Fragment 2: [16*]c1ccccc1 ### Response: O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1cccc([N+](=O)[O-])c1
functional_group
### Instruction: Does the molecule contain a amide group? CCS[C@H]1CC[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccccc1Cn1c(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ### Response: 4
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])cc1OC ### Response: 3