task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN3CCOCC3)c2C)cc1[N+](=O)[O-] ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(C)c1OC[C@@H](O)CN1CCN(CC(N)=O)CC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cccc(N[5*])c1 Fragment 2: [1*]C(=O)c1cnccn1 ### Response: O=C(Nc1cccc(Nc2ccccc2)c1)c1cnccn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a ether group? C[NH+](C)CCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC[C@@H](O)C[NH+](C)Cc1cc(C(N)=O)cs1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(COC(=O)/C=C/c1ccc(cc1)Cl)N[C@H](C)c1ccccc1 ### Response: C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(C[C@H]2[C@@H]([C@@H]([NH2+]C)CC2)C)ccc1O ### Response: C[NH2+][C@H]1CC[C@@H](Cc2ccc(O)cc2)[C@@H]1C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc2c(c1)OCCO2 Fragment 2: [3*]OCC ### Response: CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C#CCN(CC(=O)[O-])c1ncccc1C(=O)OCC ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@](O)(CNC(=O)Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CC[C@H]([NH+](Cc2ccncc2)C1)C(NCCCc1onc(n1)C)=O ### Response: Cc1noc(CCCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCOC(=O)c1noc2ncn([C@@H](C)C(=O)N(C)c3cccc(C)c3)c(=O)c12 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCN(CCNC(=O)c1ccc(N2CCOC2=O)cc1)c1cccc(C)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? NC1=NC(=O)[C@](Cc2cccs2)(c2cccs2)N1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amine group? Nc1ccccc1C[NH+]1CC2(CCC2)C1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[C@H](C)C(=O)OC Fragment 2: [3*]Oc1ccc2nccnc2c1 ### Response: COC(=O)[C@@H](C)CC(=O)Oc1ccc2nccnc2c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(CCC(=O)NC(=O)Nc1ccccc1)Cc1ncnn1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccccc1Cl Fragment 2: [1*]C(=O)[C@H]([4*])CC ### Response: CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(SC)ns1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)C[8*] Fragment 2: [4*]Cc1nnnn1[9*] ### Response: CCCn1nnnc1CN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1
functional_group
### Instruction: Does the molecule contain a nitrile group? CCc1cccc(C)c1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 ### Response: 5
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cccc(C(=O)Oc2ccc(SC)cc2)c1OC ### Response: 0
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccncc1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Nc1ccccc1OCC1CC1)c1cnccn1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccsc1C[NH+]1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CS(=O)C[8*] Fragment 2: [16*]c1cc(C)cc(C)c1 ### Response: Cc1cc(C)cc(C[S@](=O)Cc2coc(-c3cccc(Cl)c3)n2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)NC(C)C)n1C ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(oc1)CC[C@H](C)[NH2+]C[C@@H]1Cc2c(S1)cccc2 ### Response: C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1Cc2ccccc2S1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCOCC1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccccc1-n1c(C[C@H](NC(NCc2cc(F)cc(OC)c2)=O)C)cc(C)n1 ### Response: COc1cc(F)cc(CNC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. Fc1c(N2N=C(C(=O)OCC)C[C@@H]2C(=O)[O-])ccc(Cl)c1 ### Response: CCOC(=O)C1=NN(c2ccc(Cl)cc2F)[C@@H](C(=O)[O-])C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc(NCc2ccc3ccccc3c2)ccc1NC(C)=O ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1=C[C@H](C[C@@H]1C([O-])=O)NC(Nc1cccc(SC)c1)=O ### Response: CSc1cccc(NC(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1(C)CCC[C@](C#N)(Cc2ccccc2F)C1=O ### Response: 1
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/c1cnccc1C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]COC Fragment 2: [8*][C@@H](O)[C@H](C)CC ### Response: CC[C@@H](C)[C@H](O)c1ccc(COC)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1nn([9*])c(C)cc1=O Fragment 2: [5*][NH+](C)C ### Response: Cc1cc(=O)c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)nn1-c1cccc(Cl)c1
functional_group
### Instruction: Does the molecule contain a ketone group? C[NH+]1CCN(NC(=O)CCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc(C([1*])=O)cc1 Fragment 2: [5*]N(C)C ### Response: CO[C@@H](C)c1cccc(NC(=O)c2ccc(C(=O)N(C)C)cc2)c1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)S[C@H](C)C2 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCC(=O)NC[C@@H]1CCC[NH+](Cn2nc(N(C)C)sc2=S)C1 ### Response: 4
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ### Response: 4
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1c(C)cc(C(=O)N2CCC[C@H]2Cn2cccn2)c1C ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)c1nnc(-c2ccccc2)o1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(CCOC)CCN(C(=O)c2c[nH]cc2)CC1=O ### Response: COCCN1CCN(C(=O)c2cc[nH]c2)CC1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](C(=O)N[C@@H](CO)c1ccco1)[NH+](C)C ### Response: 4
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCc1nc(CN2CCN(c3ncccn3)CC2)cs1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a phenol group? C[C@@H](c1ccco1)N(C)C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? NN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(C)[C@@](CCC1)(C#N)c1ccc(F)cc1 ### Response: C[C@H]1CCC[C@]1(C#N)c1ccc(F)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(Cl)cc1 Fragment 2: [4*]C[C@H]1Nc2ccccc2C(=O)N1[10*] ### Response: O=C1c2ccccc2N[C@H](CSC2=NC=NC3=NC=N[C@@H]32)N1c1ccc(Cl)cc1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? CCc1ccccc1NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=c1oc(-c2cccs2)nn1CN1CCN(c2ccc(F)cn2)CC1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N#CC(C#N)=CNCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C12=C([C@@H](c3c([nH]c(C)nc3=O)N1)c1ccc(OC)cc1)C(CC(C)(C)C2)=O ### Response: COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(C)nc(=O)c32)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@@]([C@]2(COCC2)O)(C[NH3+])Cc2c(O1)cccc2 ### Response: [NH3+]C[C@]1([C@]2(O)CCOC2)COc2ccccc2C1
functional_group
### Instruction: Does the molecule contain a ester group? C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]C[C@@H]([8*])CC Fragment 2: [16*]c1cccc(S(N)(=O)=O)c1 ### Response: CC[C@@H](CNC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C([O-])c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a ether group? CNC(=O)c1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)nn1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? O=C(CSc1ccncc1)N1CCc2ccccc2C1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cccc(OC)c1 Fragment 2: [5*]Nc1ccccc1 ### Response: COc1cccc(Nc2ccccc2)c1
functional_group
### Instruction: Does the molecule contain a ether group? CC[C@@H]1N=NC2=C1CN(C(=O)CCC(=O)Nc1cc(C)ccn1)CC2 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(C)c1nc(C/[NH+]=C(\N)NC2CCCCCC2)cs1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(CCCN(C(=O)c2cnccc2)C1)c1nc(ncc1S(C)(=O)=O)-c1ccncc1 ### Response: CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cccnc2)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2cc(F)ccc2s1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(F)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a sulfonyl group? O=C(Cn1cncn1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cnc(C)s1 Fragment 2: [3*]OCC[4*] ### Response: Cc1ncc([C@H](C)[NH2+]CCOc2ccccc2C)s1
functional_group
### Instruction: Does the molecule contain a halide group? CN1CCC[NH+](Cc2cc(Cl)ccc2N)CC1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ether group? COc1ccc(/C=C/C(=O)NCc2cnn3ccccc23)cc1OC ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(C)cc(C)cc2[C@]3(C(Nc21)=O)N(C)C(c1c(cccc1)N3)=O ### Response: Cc1cc(C)c2c(c1)[C@]1(Nc3ccccc3C(=O)N1C)C(=O)N2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CC[8*] Fragment 2: [14*]c1ccc[nH]1 ### Response: O=C(CCC1CCOCC1)NCCc1ccc[nH]1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(Cc1ccc(F)c(F)c1)Nn1cnc2ccccc2c1=O ### Response: Yes
functional_group
### Instruction: Does the molecule contain a halide group? CC[N+](CC)=C1S[C@H]2CS(=O)(=O)C[C@H]2S1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3N2)cc1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12)c1ccccc1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCOCCCNC(=O)[C@H](C)N1CCCC2(C1)OCCO2 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ether group? C[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)[NH+]1CCC(O)CC1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@H]([8*])Cc1cccc(OC)c1 Fragment 2: [5*][NH2+][C@H]1CC=CCC1 ### Response: COc1cccc(C[C@H]([NH2+][C@H]2CC=CCC2)C2CC2)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C1C2(CC)CN3CC1(CC)CN(C(c1c(cccc1)C3=O)=O)C2 ### Response: CCC12CN3CC(CC)(CN(C1)C(=O)c1ccccc1C3=O)C2=O
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CC[C@H]2CCCC[C@@H]21 Fragment 2: [3*]OCCOC ### Response: COCCOCC[NH+]1CC[C@H]2CCCC[C@@H]21
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@](C)(C#N)[C@]1(O)CCS(=O)(=O)C1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C[C@H](CC)[NH+](CC)CC[C@@H](c1cc(cc(F)c1)F)N ### Response: CC[C@@H](C)[NH+](CC)CC[C@H](N)c1cc(F)cc(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CC[NH+]([C@@H]1C(=O)Nc1ccc(NC(=O)C)cc1)Cc1ccc(cc1)F ### Response: CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [5*]N1CCN([5*])CC1 ### Response: O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(cccc1S(N1CC(c2[nH]c3c(cccc3)n2)C1)(=O)=O)Cl)C ### Response: Cc1c(Cl)cccc1S(=O)(=O)N1CC(c2nc3ccccc3[nH]2)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[S@@](=O)CC(=O)Nc1cc(Cl)ccc1Cl ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)c1[nH]ncc1C[NH+](C)[C@H]1C[C@@](C)(OC)C1(C)C ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NS(=O)(=O)c1cccc(C#N)c1 Fragment 2: [4*]Cc1ccc(C#N)cc1 ### Response: N#Cc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. N(c1c(cccc1)N1CC[NH+](CC1)C)C(NCCN1CCOCC1)=O ### Response: C[NH+]1CCN(c2ccccc2NC(=O)NCCN2CCOCC2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1ccco1 Fragment 2: [5*]NCC([8*])([8*])O ### Response: COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)C1CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(-c2n[nH]cc2CNc2ccccc2C[NH+]2CCSCC2)o1 ### Response: 1