task
stringclasses
5 values
input
stringlengths
89
339
functional_group
### Instruction: Does the molecule contain a phenol group? COc1ccc(Cl)cc1NCCC(=O)N(C)CC#N ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. O=S1(=O)CCN(CC1)CC(=O)N1CC(CC1)(C)C ### Response: CC1(C)CCN(C(=O)CN2CCS(=O)(=O)CC2)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(nc(Cl)ncc1Cl)N(C)CCC(F)(F)F ### Response: CN(CCC(F)(F)F)c1nc(Cl)ncc1Cl
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(-c2nnc(NC(c3c(cccc3)[N+]([O-])=O)=O)s2)c(OC)cc1OC ### Response: COc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(OC)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O[C@H](Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[NH2+]C[C@@]1(c2ccc(C)c(C)c2)CCC[C@H]1C ### Response: 1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CC1(C)CCC[C@@H](Sc2ccc(F)cc2F)[C@H]1[NH3+] ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C/C=C/c1ccc(OCc2nc(C(C)(C)C)no2)c(OC)c1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cc(S(=O)(=O)N([5*])C)ccc1C Fragment 2: [15*]C1CCCC1 ### Response: Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC1CCCC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1=N[C@@H](C(=O)N2CCC(CC(=O)NCc3ccco3)CC2)C(C)=C1C ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccccc1CC1([NH3+])CC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](CSC)N(C)C(=O)NCc1sc(-c2ccccc2)nc1C ### Response: 4
functional_group
### Instruction: Does the molecule contain a nitrile group? N#C[C@@H]1CNCCN1C(=O)N1CCCCCC1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N#CCN(CC#N)c1ncnc(Nc2cccc3ncccc23)c1N ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@@H]1C[C@@H]1C Fragment 2: [14*]c1nc2ccccc2o1 ### Response: C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCCc2nc3ccccc3o2)CC1
functional_group
### Instruction: Does the molecule contain a halide group? COc1ccc(OC)c(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2cccs2)c1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(N)=O ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(-n2nc(C)c3c2C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. NC(=O)c1cccc([C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CC=C(c2ccc(Cl)cc2)CC1 Fragment 2: [1*]C(=O)[C@H]1CSC(=O)N1 ### Response: O=C1N[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CS1
canonicalization
### Instruction: Canonicalize the following SMILES string. c12ccccc1c(c(co2)C[NH+]1CCC[C@H]1c1onc(n1)-c1ncccc1)=O ### Response: O=c1c(C[NH+]2CCC[C@H]2c2nc(-c3ccccn3)no2)coc2ccccc12
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C(C)(C)N1CCC(CC1)[NH+](C)C)NC(Nc1ccc(cc1)C#N)=O ### Response: C[NH+](C)C1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)cc2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)c(F)c1 Fragment 2: [5*]N[C@@H]1CCC[C@H]1C ### Response: COC[C@H](NC(=O)N[C@@H]1CCC[C@H]1C)c1ccc(F)c(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c2Oc3ccc(Cl)cc3N(C(c2ccc1)=O)CC(NC(C)C)=O ### Response: CC(C)NC(=O)CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
functional_group
### Instruction: Does the molecule contain a carboxyl group? Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. [O-]C([C@H](C)[NH+]1C[C@@H]2N(CCCC2)CC1)=O ### Response: C[C@@H](C(=O)[O-])[NH+]1CCN2CCCC[C@@H]2C1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(Nc1cccc(c1)N1CCCCC1)N1[C@@H](C(C)C)C(NCC1)=O ### Response: CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(N2CCCCC2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1csc(N2CCCN(C(=O)c3c(C)oc(C)c3C)CC2)n1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a halide group? Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1C(C)C ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc2cc(CNc3ncc(C(N)=O)cc3Cl)ccc2c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccccc1[C@@H](C#N)NC(=O)CCC(=O)c1ccc(Cl)s1 ### Response: 4
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[C@H]1CN(C(=O)c2cncc(Br)c2)c2ccccc2N1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H](C(=O)Nc2ccccn2)C1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CCN(CCN1S(=O)(=O)C)C(=O)/C=C/c1cc(OC)c(OC)c(c1)OC ### Response: COc1cc(/C=C/C(=O)N2CCCN(S(C)(=O)=O)CC2)cc(OC)c1OC
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)o1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@@H]1CCCn2nc(CC)nc21 Fragment 2: [1*]C(=O)CS[11*] ### Response: CCc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1ccc(Cl)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccccc1-n1cc([O-])c(C(N[C@]2(CCS(=O)(C2)=O)C)=O)n1 ### Response: C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCS(=O)(=O)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cc(Cl)ccc1C Fragment 2: [5*]Nc1cc(Cl)ccc1C ### Response: Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a nitrile group? O=[N+]([O-])c1cc(C[NH+]2CCCC[C@H]2c2cn[nH]c2)ccc1O ### Response: No
functional_group
### Instruction: Does the molecule contain a ether group? C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1Cl ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OC/C(N)=N\O[3*] Fragment 2: [3*]O/N=C(/N)C[4*] ### Response: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)O/N=C(/N)COc1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(N)=O Fragment 2: [5*]Nc1ccc([16*])cc1N ### Response: CC1(C)CCC[C@@H]1Nc1ccc(C(N)=O)cc1N
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1c(Cl)cnnc1-c1ccccc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amide group? O=C(c1scnc1C1CC1)N1CCO[C@@H](c2ccsc2)C1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(c(c(c1)O)C(N(C)Cc1nc(cs1)C)=O)O ### Response: Cc1csc(CN(C)C(=O)c2c(O)cccc2O)n1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NCC1CCCCC1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2N=CNC2=N3)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? O=S1(=O)C[C@@H]2[NH+]=C([S-])N(c3cccc(Br)c3)[C@H]2C1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@]12(C)[C@@H]3[C@H](C(=O)N(C3=O)c3cc(C(=O)OC)c(Cl)cc3)[C@@](C=C1)(C)O2 ### Response: COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@@]3(C)O2)ccc1Cl
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [4*]Cc1cn(C)nc1[14*] ### Response: Cn1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)c(C(C)(C)C)n1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=CC[NH+](CC(=O)NC1CC1)Cc1cccs1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccccc1 Fragment 2: [1*]C(=O)N1CCN([5*])CC1 ### Response: O=C(NCc1ccc(-n2cccn2)cc1)N1CCN(Cc2ccccc2)CC1
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ncccc1N1CC(=O)NCC1=O ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccc(OC)cc1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(cc(C#N)cc1)S(NCc1ccc(C#N)cc1)(=O)=O ### Response: N#Cc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(C)OC(=O)N/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C ### Response: 3
functional_group
### Instruction: Does the molecule contain a carboxyl group? COc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1ccco1 Fragment 2: [6*]C(C)=O ### Response: CC(=O)c1cnc2nc(-c3ccco3)nn2c1/C=C/N(C)C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CC(F)(F)F Fragment 2: [9*]n1cnc(N)n1 ### Response: Nc1ncn(CC(F)(F)F)n1
functional_group
### Instruction: Does the molecule contain a ketone group? O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccncc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a phenol group? C[C@H](C(=O)NC1CC1)[NH+](C)Cc1cnn(C)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@@H]([8*])CC Fragment 2: [16*]c1ccccc1 ### Response: CC[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1
functional_group
### Instruction: Does the molecule contain a ether group? Cc1nccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH+]1CCNC(=O)CC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a thiol group? O=C1OCCN1CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)N1CCc2ccccc21 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC=C Fragment 2: [1*]C(=O)c1cccc(N[5*])c1 ### Response: C=CCOC(=O)c1cccc(NC(C)=O)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]SCc1cc(C)cc(C)c1 Fragment 2: [16*]c1ccc(F)cc1 ### Response: Cc1cc(C)cc(CS[C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NC1=NCCS1)c1ccc(CSc2nc3ccccc3s2)cc1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN[C@]1(C#N)CCC[C@@H](N2CCn3cnnc3C2)C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(-n2cc(C)cn2)cc1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(c4nc5ccc([N+](=O)[O-])cc5nc42)C3(C)C)cc1OC ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Clc1ccc2c(c1)[C@H](NCc1nc(C3CC3)cs1)CCC2 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C(CCN(C1)C(c1cc2C[C@@H](C(C)(C)C)CCc2s1)=O)O ### Response: CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(O)CC3)cc2C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@H]([8*])CCO Fragment 2: [16*]c1ccoc1 ### Response: C[NH+](Cc1ccoc1)[C@@H](CCO)c1ccccc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C(C)(C)c1ccc(OCCN2CC[NH2+]CC2)cc1)C ### Response: CCC(C)(C)c1ccc(OCCN2CC[NH2+]CC2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(#C)CNC(N[C@H](C)c1cc(c(OC)c(OC)c1)OC)=O ### Response: C#CCNC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCn2c(nn(C)c2=O)C1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)c2sc(N3CCN(C(=O)c4cc(C)on4)CC3)nc2c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C[C@H](C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1nccn1C ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. Clc1cc(F)ccc1CN1c2ccccc2S[C@@H](C1=O)[C@@H](C)C(NCc1cccnc1)=O ### Response: C[C@@H](C(=O)NCc1cccnc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCN(C(=O)C1CC=CC1)[C@@H]1CCc2ccccc2C1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1ccc2c(c1)CCC2 Fragment 2: [5*]Nc1ccccc1 ### Response: O=C(CNc1ccccc1)NNC(=O)CSc1ccc2c(c1)CCC2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(NC[C@@H]1CCCO1)c1cc2ccc(O)cc2o/c1=[NH+]\c1ccccc1Cl ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1CN(c2ccc(Br)cc2N)C[C@@H]1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N([5*])c1nc(C[7*])cs1 Fragment 2: [7*]Cc1csc([14*])n1 ### Response: CC(=O)N(c1ccc(F)cc1)c1nc(/C=C/C(=O)c2ccc(F)cc2)cs1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccccc2)CC1=O ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc2c(c1)CCC(=O)N2 Fragment 2: [1*]C(=O)OC ### Response: COC(=O)Nc1ccc2c(c1)CCC(=O)N2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCC[7*] Fragment 2: [4*]CCC ### Response: CCC[NH2+]CC/C=C(/C)Cc1ccncc1Cl
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)CNC(=O)[C@](C)(N)C(F)(F)F ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ### Response: 7