task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H]1CC[C@H](C(C)(C)c2ccc(Cl)cc2F)[C@H](O)C1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[8*] Fragment 2: [16*]c1ccc(F)cc1F ### Response: CC[C@](C)(NC(=O)Cc1ccc(F)cc1F)c1nccs1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(NS(c2cc(c(cc2)OC)Br)(=O)=O)c(ccc1)OCC ### Response: CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1c[nH]c2ccccc12 Fragment 2: [1*]C(C)=O ### Response: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N=c1[nH]c2ccccc2[nH]1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N#C/N=C(\[O-])[C@H]1COc2ccccc2O1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2ccco2)n1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H](CO)c1ccco1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(c1cccc(-c2ccoc2)c1)N(CC1CC1)c1cccnc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc2cccc(C(=O)N3[C@H](C)CCC[C@@H]3C)c2n1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1nn([9*])c(=O)cc1OC Fragment 2: [5*]Nc1ccc(C)c(Cl)c1 ### Response: COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(C)c(Cl)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccccc1[16*] Fragment 2: [1*]C(=O)C[4*] ### Response: CC(C)c1ccccc1OCC(=O)Nc1nc2c(F)cccc2s1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [14*]c1ccnc([14*])n1 ### Response: C[C@@H]1CN(c2ccnc(C(C)(C)C)n2)C[C@H](C)O1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=CCOc1ccc(C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc2[nH]cc(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)c(=O)c2c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=CCn1c([S-])nnc1CC1=N[C@@H](NC(=O)c2cnn(-c3ccccc3)n2)SC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC[8*] Fragment 2: [3*]O[C@@H]1CCS(=O)(=O)C1 ### Response: O=S1(=O)CC[C@@H](OCCc2ccccn2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1CCO[C@]2(CCOC2)C1 Fragment 2: [8*][C@@H]([NH2+]C)C(OC)OC ### Response: C[NH2+][C@@H](C(OC)OC)[C@H]1CCO[C@]2(CCOC2)C1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? Cc1ccc2ncnc(N(C)C[C@@H](O)CN3CC[NH+](C)CC3)c2c1 ### Response: No
functional_group
### Instruction: Does the molecule contain a halide group? COC(=O)C1(N(C)C(=O)CCc2nc(C)no2)CCCCC1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)ccc2C1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C1(=O)/C(=C\c2ccccc2[S-])N=C(N1c1c(C([O-])=O)ccc(c1)S(=O)([O-])=O)c1ccccc1 ### Response: O=C([O-])c1ccc(S(=O)(=O)[O-])cc1N1C(=O)/C(=C\c2ccccc2[S-])N=C1c1ccccc1
functional_group
### Instruction: Does the molecule contain a nitro group? O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCO ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCN1CCO[C@@H](COC(=O)c2cc(N)ccc2F)C1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c12c(ccc(N)c2)[C@@H](CC1)NC(=O)[C@H]1c2ccccc2C1 ### Response: Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1Cc2ccccc21
canonicalization
### Instruction: Canonicalize the following SMILES string. CC(NC[C@@H]1CCCN(C(=O)Cn2ccc3c2ccc(OC)c3)C1)=O ### Response: COc1ccc2c(ccn2CC(=O)N2CCC[C@@H](CNC(C)=O)C2)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)c1nc(C(=O)Nc2cccc(Cl)c2Cl)n[nH]1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a phenol group? COCCC[NH2+][C@H](C)[C@H]1CCC[NH+](C)C1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(OCCCC(=O)N[C@H]2C[C@H]2C)ccc1Cl ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@H](C(C)=O)O4 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. Cc1cc(no1)CS(Nc1ccnn1Cc1cccnc1)(=O)=O ### Response: Cc1cc(CS(=O)(=O)Nc2ccnn2Cc2cccnc2)no1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc2cc[nH]c12 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ether group? CC(C)(C)OCc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. O=[N+]([O-])c1cc(c(F)cc1)/N=C1\NCCCCC1 ### Response: O=[N+]([O-])c1ccc(F)c(/N=C2/CCCCCN2)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(Cl)ccc1-c1csc(NC(=O)[C@]2(C(Nc3c(cccc3)O2)=O)C)c1C(OCC)=O ### Response: CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@]1(C)Oc2ccccc2NC1=O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. NC(=O)[C@@H]1CCC[NH+]1[C@H](C(=O)[O-])c1c[nH]c2cc(NC(=O)c3ccccc3)ccc12 ### Response: 2
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC1=NN(C(=O)Cn2nc(C)cc2C)[C@@](O)(C(F)(F)F)C1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C([O-])c1cnc2c(ccn2C2CCCCC2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(Br)cn1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](O)[C@@H]1CCCC[NH+]1Cc1nc2ccccc2n1CC ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@@H](CSC)[NH+](C)Cn1nc(-c2ccccc2F)n(C)c1=S ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc([C@H](c2cc(F)ccc2)NCc2onc(n2)C)cc1 ### Response: Cc1noc(CN[C@H](c2ccccc2)c2cccc(F)c2)n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@H](C)N(C)C(=O)c1cc(F)ccc1N ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1c[nH]nc1C Fragment 2: [8*]Cc1ccc(OC)cc1 ### Response: COc1ccc(CC2CC[NH+](Cc3c[nH]nc3C)CC2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1CCC(C(=O)[C@H](C)[C@H](C)C(=O)[O-])CC1 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [3*]OCC ### Response: CCOC(=O)C[C@@H](Br)c1ccccc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(C([6*])=O)cc1 Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN1N=C(C(=O)N2CCOC[C@@H]2C2CC2)CCC1=O ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. o1c2cc(C)ccc2c(cc1=O)CS/C(=[NH+]/C(C)(C)C)N ### Response: Cc1ccc2c(CS/C(N)=[NH+]/C(C)(C)C)cc(=O)oc2c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc2N(C(=O)[C@@]3(N(N=C(NC(C)=O)S3)C(=O)C)c2cc1Cl)CCC(C)C ### Response: CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCC(C)C)c1ccc(Cl)cc12
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@@H]1C[C@@H]1C Fragment 2: [5*]Nc1cc([16*])ccc1C ### Response: Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1C[C@@H]1C
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc(/N=C2/C=C([O-])[C@@H](NO)c3ccccc32)cc1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C(/NCC[NH2+]C(C)(C)C)(=[NH+]\C)N[C@H]1CCC[C@@H](C)C1 ### Response: C/[NH+]=C(/NCC[NH2+]C(C)(C)C)N[C@H]1CCC[C@@H](C)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C1CCC(=O)N1CCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1F ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1sc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. CCc1ccccc1NC(=O)Cc1csc(n1)NC(=O)c1occc1 ### Response: CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1
functional_group
### Instruction: Does the molecule contain a ether group? [NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2ccc3c(c2)CCC3)C1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COCCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cccc(F)c21 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCCS1(=O)=O Fragment 2: [1*]C(=O)[C@@H]([4*])CCCC ### Response: CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccc(-c2nc(n(CC(Nc3c(C)cccc3C)=O)c3ccc(Cl)cc23)=O)c1 ### Response: Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC[C@H](C)[C@H](O)C1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? Cc1nnc(NCCNC(=O)OC(C)(C)C)c(C#N)c1C ### Response: No
functional_group
### Instruction: Does the molecule contain a ether group? CCc1ccc(CC)c(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@H]2CC(N(c3cc(ccc3[N+]([O-])=O)C)C)C[C@@H](C1)[NH2+]2 ### Response: Cc1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN1CCO[C@@H](CN(C)C2(C[NH3+])CCCCC2)C1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3ccccc3c2)c1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CSc1ccc(C(=O)Nc2c(C)ccc(N)c2C)cc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. N(C(=O)c1c(n(C2CC2)c(c1)C)C)CCc1ccc(c(OC)c1)OC ### Response: COc1ccc(CCNC(=O)c2cc(C)n(C3CC3)c2C)cc1OC
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH2+][C@H](C)c1cc(F)ccc1OCc1cc(C)on1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. N1C(C[C@]2(CCN(C2)C(=O)CCn2ncc(Cl)c2)C1=O)=O ### Response: O=C1C[C@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C(=O)N1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](C)NC(=O)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ### Response: 4
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)c1cc(C)n[nH]1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@H](Nc1ccn(C)n1)c1cc(F)ccc1O ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@]1(SC)[C@@H]2C=C[C@H]1[C@@](O)(C1=CCCC1)C2 Fragment 2: [6*]C(=O)OC ### Response: COC(=O)[C@]1(SC)[C@@H]2C=C[C@H]1[C@@](O)(C1=CCCC1)C2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1nc([14*])oc1=O Fragment 2: [8*]C(F)(F)F ### Response: COc1ccccc1-c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(CN2CC(=O)N3C[C@H](c4ccc(Cl)cc4)C4=c5ccccc5=[NH+][C@@H]4[C@@]3(C)C2=O)cccc1 ### Response: C[C@]12C(=O)N(Cc3ccccc3)CC(=O)N1C[C@H](c1ccc(Cl)cc1)C1=c3ccccc3=[NH+][C@@H]12
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CO)c3ccco3)c2C)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)[C@H](C)n1nnc2ccccc21 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CN(C(=O)C(C)(C)/C(N)=N/O)C[C@H]1C ### Response: 3
functional_group
### Instruction: Does the molecule contain a amine group? Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C(CS(=O)(c1ccc(OC)cc1)=O)(N1CCN(CC1)c1nc2c(cc(cc2)CC)s1)=O ### Response: CCc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccc(OC)cc4)CC3)sc2c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cnn(CCCNC(=O)NC2[C@H](C)CCC[C@@H]2C)c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)cc(OCC(=O)c2c(C)c(C#N)c(=O)n(C(C)C)c2[O-])c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(Cl)c(C=O)sc1Oc1ccccc1 ### Response: O=Cc1sc(Oc2ccccc2)nc1Cl
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCc1cc(C(=O)NNC(=O)c2sccc2C)[nH]n1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc(I)cc1 Fragment 2: [3*]O/N=C(\N)C(C)C ### Response: CC(C)/C(N)=N/OC(=O)c1ccc(I)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc(OC)c1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. NC(=O)NN=C1CCCCCCC[C@@H]2C[C@@H]21 ### Response: NC(=O)NN=C1CCCCCCC[C@@H]2C[C@H]12
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(C(=O)N2C[C@@H]([C@@H](C2)N2CCOCC2)C)onc(c1)C(CC)CC ### Response: CCC(CC)c1cc(C(=O)N2C[C@@H](N3CCOCC3)[C@@H](C)C2)on1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C[C@@H](c1nc(C2CC2)no1)N1CCc2ccccc2C1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a thiol group? CCOC(=O)/C([O-])=N/c1nnc([C@@H]2CC(=O)N(c3ccccc3CC)C2)s1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH2+][C@@H](c1ccc(Cl)cc1F)[C@@H]1CCc2ccccc21 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCN([5*])CC1 Fragment 2: [4*]Cc1scnc1C ### Response: Cc1ncsc1CN1CCN(Cc2scnc2C)CC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(=O)N1CC[C@@H](C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. OC[C@@H](NCc1cnc(-c2cccnc2)s1)c1ccco1 ### Response: 2