task
stringclasses
5 values
input
stringlengths
89
339
canonicalization
### Instruction: Canonicalize the following SMILES string. C(/Nc1c(OC)cc(cc1)OC)=C1\C(=O)NC(N(C1=O)c1cccc2c1cccc2)=S ### Response: COc1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c(OC)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c(C)n1CC(F)(F)F ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Fc1cccc(F)c1CN(Cc1cnc2ncccn12)C1CCCC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cc(C)cc(OC)c1O Fragment 2: [5*]NCC[C@@H]([8*])O ### Response: COc1cc(C)cc(C(=O)NCC[C@H](O)c2ccccc2)c1O
functional_group
### Instruction: Does the molecule contain a aldehyde group? COc1ccc(OC)c([C@@H](N)[C@H]2C[NH+]3CCN2CC3)c1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccccc1CCn1c(C)cc(=O)c(C(=O)N(C)Cc2ccsc2)c1C ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CCC(=O)N1c1ccc(cc1)CNC(N1CCOCC1)=O ### Response: O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCOCC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CNc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1[N+](=O)[O-] ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CCc1ccccc1O)NCCCn1cccn1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(C)c(COc2c(Br)cc(cc2N)Cl)c1 ### Response: Cc1ccccc1COc1c(N)cc(Cl)cc1Br
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H]1CCc2c(sc(NC(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)(F)F)c2C#N)C1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1C Fragment 2: [5*]N1C[C@H](C)O[C@@H](C)C1 ### Response: CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1ccccc1C
functional_group
### Instruction: Does the molecule contain a halide group? Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nccn1-c1cncc(NCCCS(=O)(=O)c2ccccc2)n1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1CC Fragment 2: [1*]C(=O)[C@H]1CC(=O)N([10*])C1 ### Response: CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccccc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)ccc2O1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@@]1(C=O)NC(=O)NC1=O Fragment 2: [8*]CCC ### Response: CCC[C@@]1(C=O)NC(=O)NC1=O
functional_group
### Instruction: Does the molecule contain a aldehyde group? Cc1ncc(-c2ccc(NC(=O)[C@H]3CSCN3C(=O)c3c[nH]c4ccccc34)cc2)o1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(ccc(C)cc1C)N(C(c1nnn(c1)C1C[NH2+]C1)=O)C ### Response: Cc1ccc(N(C)C(=O)c2cn(C3C[NH2+]C3)nn2)c(C)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCN(CC)C(=O)c1ccc(NC(=O)NCc2ccnn2C)cc1Cl ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccc2oc3c(c12)cc(OC)c(c3)NC([C@H]1COc2c(cccc2)O1)=O ### Response: COc1cc2c(cc1NC(=O)[C@H]1COc3ccccc3O1)oc1ccccc12
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@@H](CSC)N(C)C(=O)/C=C/c1cn(C)c2ccccc12 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@H](COC(c2cc3cccc(OC)c3o2)=O)O1 ### Response: COc1cccc2cc(C(=O)OC[C@H]3CO3)oc12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc(C)c1Cl ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCC(=O)NC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1nc[nH]n1 Fragment 2: [10*]N1C(=O)c2cccc3cccc(c23)C1=O ### Response: O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1nc[nH]n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1CCOC1 Fragment 2: [1*]C(=O)N1CCN([5*])CC1 ### Response: CC(C)(C#N)N1CCN(C(=O)N[C@H]2CCOC2)CC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-n2cnnn2)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1oc2ccc(Cl)cc2c1N[5*] Fragment 2: [1*]C(=O)C[4*] ### Response: CCOC(=O)c1oc2ccc(Cl)cc2c1NC(=O)C[NH+]1CCCCC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(C)c(C)c(OC(=O)[C@H](C)NC(=O)c2cccs2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCc1nc(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)[nH+]c2)no1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(NC(=O)c2cn(CC)nc2)cc([N+](=O)[O-])c1C ### Response: CCn1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[C@@H]1CC12CCOCC2 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ether group? COc1ccc(OC)c2sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)nc12 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(C(=O)c2ccccc2C1=O)CCOC(=O)COc1c(cccc1C)C ### Response: Cc1cccc(C)c1OCC(=O)OCCN1C(=O)c2ccccc2C1=O
canonicalization
### Instruction: Canonicalize the following SMILES string. C1(c2c(O)ccc(Cl)c2)C[C@@H](c2ccc(cc2)Br)NN=1 ### Response: Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc(Br)cc2)C1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](Cc2ccc(C)s2)C(C)C)C1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CC1 Fragment 2: [1*]C(=O)[C@]1(C)CC1(Cl)Cl ### Response: C[C@@]1(C(=O)OCc2nc(C3CC3)cs2)CC1(Cl)Cl
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? N#Cc1ccc(-c2noc(CNC(=O)CC3CCCCC3)n2)nc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? N#Cc1ccc(/C=C/C[NH+]2C[C@H]3CC=CC[C@H]3C2)cc1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccccc2Cl)cc1C ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc(C(=O)[C@@H](C#N)c2nnc(-c3ccccc3)n2C)c1OC ### Response: 3
functional_group
### Instruction: Does the molecule contain a hydroxyl group? COC[C@@H](O)C[NH+]1CCC(N[C@@H]2CCCc3ccc(Cl)cc32)CC1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aldehyde group? O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2cc[nH+]cc2)CC1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*][C@H](O)CC Fragment 2: [4*]Cc1nc2ccccc2n1CC ### Response: CC[C@@H](O)[C@@H]1CCCC[NH+]1Cc1nc2ccccc2n1CC
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1csc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)c1ccc(N)cc1 Fragment 2: [14*]c1cccs1 ### Response: CN(C(=O)Cc1cccs1)c1ccc(N)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCc1ccsc1-c1nnc2ccc(N)cn12 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@@H]([8*])CC Fragment 2: [16*]c1c(C)nn(C)c1C ### Response: CC[C@@H](NC(=O)N[C@@H]1CCCc2ccc(F)cc21)c1c(C)nn(C)c1C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)C1=C(C)C(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)=N[C@@H]1C ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1nnc([14*])n1N Fragment 2: [5*]Nc1cc([16*])cc([16*])c1 ### Response: Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1[nH]nc2c1CCC2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccco1 Fragment 2: [5*]N1CCC[C@@H]([15*])C1 ### Response: O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CS(=O)(=O)c1ccc(OCCOc2cccc(-n3cncn3)c2)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCOC3)CCOCC2)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1Br ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? COc1ccccc1N1CCN(C(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)CC1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1ccsc1-c1cnc(C[NH3+])o1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? CC[NH+]1CC[C@H](N(C)CC(=O)Nc2c(C)nn(C)c2C)[C@H](C)C1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC/C(=N/NC(N)=O)c1ccc(OC)c(OC)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@@H](Nn1cccc1)c1cccc(Br)c1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@@H](C)c1ccc(C#N)cc1 Fragment 2: [1*]C(=O)[C@@H](C)[NH2+][5*] ### Response: CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nc2sccn2c1C=O Fragment 2: [14*]c1ccccn1 ### Response: O=Cc1c(-c2ccccn2)nc2sccn12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N#Cc1ccc(-c2ccc(Oc3ccc4nnnn4n3)cc2)cc1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCC([15*])CC1 Fragment 2: [4*]Cc1ccncc1 ### Response: Cn1nc(C2CC[NH+](Cc3ccncc3)CC2)n(C2CCCC2)c1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccc2c(c1)NC(=O)CO2 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCN(CC1CC1)c1cc2c(cc1Cl)[C@@H]([NH2+]C)C(=O)N2 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1CCO[C@H]1C(=O)Nc1nc2c(cc1C#N)CCC2 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1c2ccccc2c2cc(/C=C/C(=O)N3C[C@H](C(N)=O)CC[C@@H]3C)ccc21 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C(NCCNc1ccc(C)nn1)(=O)Nc1ccc(cc1Cl)C ### Response: Cc1ccc(NC(=O)NCCNc2ccc(C)nn2)c(Cl)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(NC(=O)CNc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(Br)c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(CCCc2c1cccc2)NC(=O)NCc1cnn(c1)-c1ccccc1 ### Response: O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCCc2ccccc21
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CO[C@H]1CN(C(=O)COc2cccc(C)c2C)CC[C@H]1[NH3+] ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ncccc1C Fragment 2: [1*]C(=O)CCCC[8*] ### Response: Cc1cccnc1NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(=O)[O-] Fragment 2: [5*]N1CCC(C)CC1 ### Response: CC1CCN(c2[nH+]cccc2C(=O)[O-])CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)N1CCN(C(=O)[C@@H](Sc2nc3ccccc3[nH]2)C(C)C)CC1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? [NH3+]Cc1ccc(Oc2cccc(F)c2)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCOC(=O)[C@@H]([NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(C)cc1Cl Fragment 2: [6*]C(N)=O ### Response: Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(Cl)c1
functional_group
### Instruction: Does the molecule contain a amine group? COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? COCC[C@]1(CO)CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. CCNC(c1ccc(NC(C(=O)N2CCC(CC2)c2ccccc2)=O)c(c1)C)=O ### Response: CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3ccccc3)CC2)c(C)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CCCC Fragment 2: [5*]N[C@@H]1CCS(=O)(=O)C1 ### Response: CCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nc(C)c1C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)c1ccc(Cl)s1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)nc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@]([8*])(C)O Fragment 2: [4*][C@@H]([8*])c1ccccc1C ### Response: Cc1ccccc1[C@@H](NC[C@](C)(O)c1cnn(C)c1)C1CC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN(Cc1ccsc1)C(=O)c1cccnc1Cl ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccc([N+](=O)[O-])c1 Fragment 2: [1*]C(C)=O ### Response: CC(=O)NCCCS[C@H](C)c1cccc([N+](=O)[O-])c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ### Response: 0