task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C(CCN(C1)c1c(COC)cc(cc1)[N+](=O)[O-])C(=O)NC ### Response: CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCNC(=O)CN1C[C@@H]([NH3+])[C@@H](C)CC1=O ### Response: 0
functional_group
### Instruction: Does the molecule contain a amine group? Cc1cc(C)c(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aldehyde group? Cc1nc2ccccc2nc1NCCC(=O)NC1CCCCC1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)OCCS(=O)(=O)NCc1ccccc1C#CCO ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(OCCCOc2ccc(C#N)cc2)nc1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CCO1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[NH2+][C@](C)(CCSc1ccncc1)C(=O)[O-] ### Response: 0
functional_group
### Instruction: Does the molecule contain a hydroxyl group? COc1cc(C)c(C[NH2+]Cc2cc(C(C)C)no2)cc1OC ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)C[C@@H](c1ccccc1)c1cn(C)c2ccccc12 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@H]1CCC[C@@H]([C@@H](Cc2ccccc2F)C(=O)[O-])C1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+](C)C Fragment 2: [5*]NCc1n[nH]c(=O)c2ccccc12 ### Response: C[NH+](C)CCCNC(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
functional_group
### Instruction: Does the molecule contain a amide group? COc1ccc(Br)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CN1C(=O)CNC1=O Fragment 2: [4*]C1(CN[5*])CCCCCC1 ### Response: C[NH+](C)C1(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)CCCCCC1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? O=C(C[C@H]1CCCO1)N1CCN(C(=O)c2ccccc2O)CC1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc(/C(C)=C/C(=O)NC(C)(C)c2nc(C)cs2)c1 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH2+]CC[8*] Fragment 2: [3*]OCC ### Response: CCOc1ccccc1CC[NH2+][C@@H](C)C1CCC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cc(C)cc(O)c1C=O ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(C)=O Fragment 2: [13*][C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([15*])O1 ### Response: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)...
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1ccccc1Br ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc(CN(C)C(=O)c2oc3ccccc3c2C[S@@](C)=O)c1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(sc(nn1)C1CCCCC1)NC(Cc1ccc(Br)cc1)=O ### Response: O=C(Cc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(C)c2[nH]c(C(=O)NCCC[NH+]3CCNC(=O)C3)c(C)c2c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCCCC[C@H](C)[C@@](C)(O)C(=O)[O-] ### Response: 9
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [16*]c1ccccc1F ### Response: COc1ccc(C(C)(C)C)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F
functional_group
### Instruction: Does the molecule contain a ester group? N#CCc1ccc(OC[C@@H](O)C[NH+]2CCc3cncnc3C2)cc1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1OC ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc2cc(C(=O)NCCOc3ccc(F)cc3)c(=O)oc12 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [7*]C1C(=O)OC(C)(C)OC1=O Fragment 2: [7*]C1C(=O)Nc2ccc(C)cc21 ### Response: Cc1ccc2c(c1)C(=C1C(=O)OC(C)(C)OC1=O)C(=O)N2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccc(C2=CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1nnc(S[11*])n1C[8*] Fragment 2: [8*]Cc1ccccc1 ### Response: CC1CCN(C(=O)[C@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@H]([8*])C Fragment 2: [1*]C(=O)C[4*] ### Response: C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccco1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CC1 Fragment 2: [5*]N1C(N)=[NH+]C[C@@]12CC[NH+]([5*])C2 ### Response: CC(C)N1C(N)=[NH+]C[C@@]12CC[NH+](C1CC1)C2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CCC[C@H]2[C@H]1N(CCO2)C([C@H]1[C@H](C)OCC1)=O ### Response: C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H]2CCCC[C@@H]21
canonicalization
### Instruction: Canonicalize the following SMILES string. s1c(ccc1C(NCC[NH+]1CCC(CC1)OC)=O)NC(C1CC1)=O ### Response: COC1CC[NH+](CCNC(=O)c2ccc(NC(=O)C3CC3)s2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCOCC1 Fragment 2: [12*]S(=O)(=O)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O ### Response: CN1C(=O)c2cccc3cc(S(=O)(=O)N4CCOCC4)cc(c23)C1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OC[C@@H]1C[C@H]1C Fragment 2: [1*]C(=O)C[NH+]([5*])C ### Response: C[C@@H]1C[C@H]1COC(=O)C[NH+](C)Cc1ccccc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C(Nc1c(C)ccc(c1)S(=O)(=O)N(C)C)=O)c1cc(Cl)c(cc1)Cl ### Response: Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1
functional_group
### Instruction: Does the molecule contain a ether group? CC1CCN(C(=O)N(CC(N)=O)[C@@H]2CC[NH2+]C2)CC1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(CC(NC[C@H]([NH+](CC)CC)C)=O)[nH]c1 ### Response: CC[NH+](CC)[C@H](C)CNC(=O)Cc1ccc[nH]1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(C)=O Fragment 2: [5*]N1/C(=N/C([6*])=O)S[C@@H]2CS(=O)(=O)C[C@H]21 ### Response: CC(=O)c1cccc(N2/C(=N/C(=O)c3ccc4c(c3)OCO4)S[C@@H]3CS(=O)(=O)C[C@H]32)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. NS(=O)(=O)c1ccccc1NC(=O)CCl ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [5*]N1CCN([5*])CC1 ### Response: CC1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(NC(=O)Cc2cc(-c3ccccc3F)on2)c2ccccc2n1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ether group? O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(-c2ccncc2)cs1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O ### Response: 2
functional_group
### Instruction: Does the molecule contain a nitrile group? C[C@H](Sc1nncn1-c1ccccc1)C(=O)NCC1CCCCC1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? C[C@H]1c2ccccc2O[C@@H]1C(=O)NCC(=O)OC1CCCCC1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [10*]N1C(=O)[C@@H]2[C@@H]([13*])N(c3ccccc3)O[C@H]2C1=O Fragment 2: [16*]c1cccc(Cl)c1 ### Response: O=C1[C@@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(Cl)c1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC/C(=C\c1cccc(Br)c1)C[NH2+]C(C)C ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(ccc(cc1)CNC(NCc1cc(OC)cc(F)c1)=O)C[NH+](C)C ### Response: COc1cc(F)cc(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)c1
functional_group
### Instruction: Does the molecule contain a amine group? CCOc1ncccc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]C[C@H]1Cc2ccccc21 Fragment 2: [5*][NH2+]C[C@@H](CC)CCCl ### Response: CC[C@@H](CCCl)C[NH2+]C[C@H]1Cc2ccccc21
functional_group
### Instruction: Does the molecule contain a ester group? CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CC[8*] Fragment 2: [1*]C(=O)[C@H]1C=c2ccccc2=[NH+]1 ### Response: O=C(CCC1CCN(C(=O)[C@H]2C=c3ccccc3=[NH+]2)CC1)NCc1cccnc1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? Cc1noc(CCC(=O)NC[C@@H]2C[C@]23CCc2ccccc23)n1 ### Response: No
functional_group
### Instruction: Does the molecule contain a carboxyl group? CCCc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)n[nH]1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC1([C@]2(C)C(=N)NC(=O)N2C2CC2)CC1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. N(Cc1ccc(OC)c(c1)OC)C(=O)[C@@H](Oc1ccc(C#N)cc1)C ### Response: COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1OC
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(-c2ccccc2)c(C#N)c(=O)n1C(=O)c1ccc(C#N)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1[C@H]2CC[C@@H]1c1cnc(C)nc1C2 Fragment 2: [4*]Cc1cnn(CC)c1C ### Response: CCn1ncc(C[NH+]2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)c1C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CC[8*] Fragment 2: [5*]N(C)C ### Response: CN(C)C(=O)CN1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)C[8*] Fragment 2: [15*]C1CCCC1 ### Response: COc1cccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4s3)CC(=O)N(C3CCCC3)C2=O)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(-c2ccccc2)sc(cn1)NC(=O)c1cccc(=O)n1C ### Response: Cn1c(C(=O)Nc2cnc(-c3ccccc3)s2)cccc1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCOc1cccc([C@H]([NH3+])Cc2cccc(F)c2F)c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C(Oc1ccc(C#N)cc1OC)C(=O)c1ccc(OCC)cc1 ### Response: CCOc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cccnc1[14*] Fragment 2: [5*]N1CCC[C@H](OC)C1 ### Response: CCOc1ncccc1CNC(=O)N1CCC[C@H](OC)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc2c(CCN2C([C@H](Sc2nnc(n2CC)-c2cccs2)C)=O)cc1 ### Response: CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cccs1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccsc1[C@@H](C)[NH2+]CC1CCC(C(N)=O)CC1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN(C)/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a hydroxyl group? C[NH+]1CCCN(CCC(=O)N2CC(C)(C)[C@@](C)(O)C2)CC1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a nitrile group? Oc1ccc(C[C@@H]2CCC[C@H](O)C2)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1cccc([N+](=O)[O-])c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(c(ccc1)C)C(NCCC(=O)NC1(CC1)c1cccc(Cl)c1)=O ### Response: Cc1ccccc1C(=O)NCCC(=O)NC1(c2cccc(Cl)c2)CC1
functional_group
### Instruction: Does the molecule contain a aldehyde group? O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a ester group? C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)Oc1ccccc1F ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [9*]n1c([14*])n[nH]c1=O ### Response: Nc1cc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)ncn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nnc(NCCCC(=O)NC2CC2)c(C(N)=S)c1C ### Response: 4
functional_group
### Instruction: Does the molecule contain a aldehyde group? C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc(C(=O)N[C@H](C)c2ccco2)c(N)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cn1c(C[C@@H]2CCCCC[C@H]2[NH3+])nc2ccccc21 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitro group? COc1ccc(CCNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CSc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2cccs2)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(C)(C)[NH+](C)C ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCc1ccc(OCc2cccnc2)cc1)NCc1ccco1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(OC)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitrile group? O=C(Cc1cccs1)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amine group? COc1cc(F)c([N+](=O)[O-])c(NCCCc2nnc3n2CCCCC3)c1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ether group? COc1nn(C)cc1C(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1CC ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc(NS(=O)(=O)c2cn(C)nc2C)cc(OC)c1OC ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@]1(/C=N/O)CS/C(=N/O)S1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCOC(=O)c1c(C)oc2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c12 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccn1[9*] Fragment 2: [16*]c1cccnc1 ### Response: O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1