task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1ccc(-c2ncc(-c3cccc(Cl)c3)cn2)cc1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@@H]1CCCC1(C)C Fragment 2: [5*]Nc1ccc(C)c(C)c1 ### Response: Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCCC2(C)C)cc1C
canonicalization
### Instruction: Canonicalize the following SMILES string. C(Oc1ccc(cc1)Cl)CNC(=O)c1ccc(Cl)c(c1)S(=O)(N1CCCC1)=O ### Response: O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(CCOCC1CC1)C(=O)c1cnc([C@@H]2CCCO2)s1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cn([9*])nc1[14*] Fragment 2: [5*][NH+]1CCNC(=O)CC1 ### Response: Cc1ccc(-n2cc(C[NH+]3CCNC(=O)CC3)c(-c3cccc(C)c3)n2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=S(N1C[C@@H](CC)[C@@H](N[C@@H](C)C(N2CCCC2)=O)CC1)(=O)C ### Response: CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@@H](C)C(=O)N1CCCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(Nc1c(cccc1)OC(C)(C)C)N(C)C[C@H]1CCOC1 ### Response: CN(C[C@H]1CCOC1)C(=O)Nc1ccccc1OC(C)(C)C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH2+]CC[7*] Fragment 2: [4*]C/C=C/c1ccc(C#N)cc1 ### Response: C[S@](=O)CC[NH2+]C/C=C/c1ccc(C#N)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(-c2nnc(C[NH+]3CCC(C)(C)C3)o2)cc1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCCO2)C1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [5*]Nc1ccc(Br)cn1 ### Response: CCN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cn1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(ccc(SCC(Nc2sc3cc(ccc3n2)SC)=O)c1)Cl ### Response: CSc1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1
canonicalization
### Instruction: Canonicalize the following SMILES string. O([C@@H](C)c1ccc[nH]1)C[C@@H]1CCCN(C(OC(C)(C)C)=O)C1 ### Response: C[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [5*]Nc1ccccc1Cl ### Response: CC[NH+]1CCC(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccccc1-c1nc2nccc(-c3ccsc3)n2n1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC1CC[NH+]([C@H](C)CNC(=O)C2=CCCCO2)CC1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a nitrile group? CCC[C@H](c1ccccc1)[C@@](C)(O)C(=O)[O-] ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN1c2ccccc2NC(=O)[C@H]2COC[C@@H]21 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? C[C@@H](CO)CSc1nc2ccccc2cc1/C(N)=N/O ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NNC(=O)[C@]13CC[C@](C)(C(=O)C1)C3(C)C)C2 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCSc1ccc(NC(=O)C(=O)NCc2nc3ccccc3s2)cn1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. N(C(c1ccc(C(C)(C)C)cc1)=O)n1c(C)nc2ccccc2c1=O ### Response: Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(C(C)(C)C)cc1
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(C)cc1Cl Fragment 2: [5*]N1C[C@@H](C)S[C@H](C)C1 ### Response: Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)S[C@H](C)C2)c(Cl)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCNS(=O)(=O)N1CCC[C@@H](C)C1 Fragment 2: [5*][NH+](CC)CC ### Response: CC[NH+](CC)CCNS(=O)(=O)N1CCC[C@@H](C)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+](C)Cc2ncnn2C)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amine group? CCN(c1cc(C(N)=S)ccn1)C(C)C ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1ccc(O)cc1 ### Response: 4
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc2sc(N(CC[NH+](C)C)C(=O)CN3C(=O)c4ccccc4C3=O)nc12 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC1(C)Oc2ccc(NC(=O)NCCc3cn4ccccc4n3)cc2O1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCC2(CC1)CC(=O)N(C)C2 Fragment 2: [16*]c1ccc(F)c(F)c1 ### Response: CN1CC2(CC[NH+](C3CCN(c4ccc(F)c(F)c4)CC3)CC2)CC1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cn1ccnc1[C@H](NC(=O)CN1CCSC1=O)c1cccc(F)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1ccc(N2CCC[C@@H](C(F)(F)F)C2)cc1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)s1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(c1ncnc2sccc12)C1CCC([NH3+])CC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1csc(CSCCCN2C(=O)CNC2=O)n1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cc([16*])ccc1OC Fragment 2: [1*]C(=O)c1ccc(CC)cc1 ### Response: CCc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCO[C@H]([C@@H]2CCCO2)C1 Fragment 2: [4*]Cc1ccc(C#N)o1 ### Response: N#Cc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)o1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)OCC3(C)C)ccc21 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a halide group? COC(=O)[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)c(F)c1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C(/C(C)C)(=C\c1cccc(c1)C)C[NH2+]C(C)C ### Response: Cc1cccc(/C=C(\C[NH2+]C(C)C)C(C)C)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cc([14*])no1 Fragment 2: [4*]C[C@H]1CCCO1 ### Response: c1ccc(-c2cc(CSC[C@H]3CCCO3)on2)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C1C[C@H](C2CC2)C[C@H]([NH+]2CC[C@]3(CCOC3)C2)C1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(Br)cc1CNC(=O)Nc1cc(C)nn1C ### Response: 1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? Cc1cscc1C[NH2+][C@H](C)CS(C)(=O)=O ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. CN(C)c1nc(N)nc(n1)CN1[C@@H](CCC1)c1cccc(c1)OC ### Response: COc1cccc([C@@H]2CCCN2Cc2nc(N)nc(N(C)C)n2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1c(S[C@@H](C)C#N)nc2cc(S(N)(=O)=O)ccc21 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C(=C\c1ccccc1)/CSc1nnc(-c2ccncc2)o1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCc1ccc(SC)cc1 Fragment 2: [12*]S(C)(=O)=O ### Response: CSc1ccc(CNC(=O)CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2C)cc1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ether group? Cc1ccc(C(=O)Oc2ccc3nccnc3c2)cc1F ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccn(C)n1 Fragment 2: [14*]c1ccco1 ### Response: Cn1ccc(C(=O)OCC(=O)c2ccco2)n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(c1scnc1C1CC1)N1CCO[C@@H](c2ccsc2)C1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [4*]Cc1nc([14*])oc1C ### Response: Cc1oc(-c2cccs2)nc1COc1nnc(-c2ccccc2)o1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)OCCCNC(=O)N[C@@H]1CCC[C@@H]1CO ### Response: 3
functional_group
### Instruction: Does the molecule contain a phenol group? CCO/C([O-])=C1/C(C)=NC(=O)[C@]1(NC(=O)c1cccnc1)C(F)(F)F ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccc2ccc(nc12)C(=O)Nc1ccc2CCN(C(=O)C3CCCC3)c2c1 ### Response: O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc2ccccc2n1
functional_group
### Instruction: Does the molecule contain a amide group? CCS[C@H]1CCCC[C@H]1NC(=O)N(C)CCc1ccccn1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCOCC1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ketone group? Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@@H]1CCCCC[C@H]1[NH3+] Fragment 2: [5*]Nc1cncc([16*])c1 ### Response: [NH3+][C@@H]1CCCCC[C@H]1C(=O)Nc1cncc(C(=O)[O-])c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccnc1 Fragment 2: [5*][NH+]1CC[C@H]([15*])C1 ### Response: CC(C)[NH+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1
functional_group
### Instruction: Does the molecule contain a thiol group? COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2C)cc(OC)c1OC ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@@H]1CSCN1[5*] Fragment 2: [12*]S(=O)(=O)c1cccc(F)c1 ### Response: CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c(C)n1C1CC1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COc1ccc(F)cc1NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@@H]([NH+](C)CC1)CN(c1nc(CC)c(CO)s1)C ### Response: CCc1nc(N(C)C[C@H]2CCC[NH+]2C)sc1CO
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)cc(CS(=O)(=O)CCC[C@@H](C)[NH3+])c1 ### Response: 5
functional_group
### Instruction: Does the molecule contain a ether group? COc1cc(N)ccc1SCC[NH+]1CCCC1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(OCC)c(-c2cc(C(=O)N3CC[C@@H](C3)CO)ccc2)cc1 ### Response: CCOc1ccccc1-c1cccc(C(=O)N2CC[C@H](CO)C2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cc([16*])ccc1C Fragment 2: [1*]C(=O)c1cccc(Cl)c1 ### Response: CCC(=O)Nc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1C
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(N(CC(C)C)C1CCCC1)c1nnc(NN)cc1 ### Response: CC(C)CN(C(=O)c1ccc(NN)nn1)C1CCCC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Nc1cccc(OCCCOc2cccc(Br)c2)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]C/C=C/c1ccc(C#N)cc1 Fragment 2: [5*][NH+]1C[C@H]2CC=CC[C@H]2C1 ### Response: N#Cc1ccc(/C=C/C[NH+]2C[C@H]3CC=CC[C@H]3C2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N#C[C@@H]1C2=C(CCCC2)S[C@H]1/N=C/C1=c2ccccc2=[NH+]C1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(CC(NC2CCCCC2)=O)cccc1CNC(c1nn2ncccc2c1)=O ### Response: O=C(Cc1cccc(CNC(=O)c2cc3cccnn3n2)c1)NC1CCCCC1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(-c2csc(CC(=O)N(C)C)n2)c(C)n1NC(=O)c1ccccc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1=C(CN=C1C(N1CCN(c2nccnc2)CC1)=O)C(=O)C ### Response: CC(=O)C1=CC(C(=O)N2CCN(c3cnccn3)CC2)=NC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COC(=O)c1cc(CNC(=O)c2cc3cccc(OC)c3o2)oc1C ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitro group? COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CN(C[C@@H](C(=O)Nc2ccc(c(C)c2)C)C1)S(=O)(c1ccc(C)s1)=O ### Response: Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1cc(N2CC[C@H](C)[C@H](O)C2)nc(C)[nH+]1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=S(N1[C@@H](C)CCC[C@H]1C)(c1ccc(CC#N)cc1)=O ### Response: C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(CC#N)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(c2cccc(F)c2)CCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)c1ccc(NC(=O)CN2CCSc3ccc(Cl)cc32)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a hydroxyl group? CCOCCN(C)C(=O)N[C@@H](CC)c1cccs1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCO)cc21 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(-c2ccc3c(c2)NC(=O)CN3CC)nc(-c2ccccc2OC)no1 ### Response: CCN1CC(=O)Nc2cc(-c3nc(-c4ccccc4OC)no3)ccc21
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1nnc(C)s1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a ether group? COc1cc(F)cc(CNC(=O)C(=O)Nc2cccc3cccnc23)c1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc2oc([14*])nc2c1 Fragment 2: [1*]C(=O)N1C[C@H]2CCCC[C@H]2C1 ### Response: O=C(Nc1ccc2oc(C3CC3)nc2c1)N1C[C@H]2CCCC[C@H]2C1
functional_group
### Instruction: Does the molecule contain a amide group? COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCn1c(N(C)Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cnc(NC(=O)c2cccnc2Sc2ccc3c(c2)OCCO3)s1 ### Response: 1