task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=[NH2+])N21 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCCCN(C)c1nc(C(C)C)c(CO)s1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(Cl)cc1CN(C)C(=O)NCc1nnc2n1CCC2 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCc1nc([C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c2ccccc2)no1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c12cnn(C)c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 ### Response: Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(-c2ccccc2C[C@@]2(C(N)=O)CCN(C(=O)C3CCC3)C2)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CC[C@H]([15*])[C@@H]1C Fragment 2: [1*]C(=O)N1CC[C@H]([15*])[C@@H]1C ### Response: Cc1cc([C@H](C)NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)s1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)nn(CC(=O)NC(C)(C)C)c2C)C1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a hydroxyl group? CC[C@H](C(=O)NC1CCCCC1)n1ccc(C(=O)NC2CCCCC2)n1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C([C@@]2(O)CCO[C@@H](C)C2)(C[NH3+])CCC(C1)C ### Response: CC1CCC(C[NH3+])([C@@]2(O)CCO[C@@H](C)C2)CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Cc1c(F)cccc1F)Nc1ccc(OC[C@@H]2CCCO2)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(c2c(O[C@H](C1)C(N1CCOCC1)=O)cccc2)C(=O)CCN1C(=O)C(C)(NC1=O)C ### Response: CC1(C)NC(=O)N(CCC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(C(=O)N[C@@H](C)C(N)=O)sc1C#CCN ### Response: 1
functional_group
### Instruction: Does the molecule contain a phenol group? Cc1cc(=O)c(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c[nH]1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C(=O)NNC(c1ccccc1Br)=O)Oc1ccccc1 ### Response: O=C(COc1ccccc1)NNC(=O)c1ccccc1Br
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1c(=O)[nH]c2ccccc21 Fragment 2: [5*][NH+]1CCC([15*])CC1 ### Response: CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)OCc1cccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C1S(C[C@@H](C1)N(Cc1occc1)C(C1CCC(CCCC)CC1)=O)(=O)=O ### Response: CCCCC1CCC(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)CC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@]12CCCC[C@]13NCC(=O)CN3c1ccccc12 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [5*]N1CCC([15*])CC1 ### Response: CCOc1ccc(CCC2CCN(c3nccn(CC)c3=O)CC2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nc([14*])c(C)o1 Fragment 2: [1*]C(=O)C[8*] ### Response: CS[C@H]1CC[C@@H](NC(=O)Cc2nc(-c3ccsc3)oc2C)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(C)(C)C(=O)C1CCC(C)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC[C@](C)(NC(=O)c1cccc2ncccc12)C(=O)[O-] ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC1(C)CCCN1C(=O)NCCc1cccc(C(N)=O)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? Cc1nn([C@@H](C)c2nn3c(-c4ccncc4)nnc3s2)cc1Br ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1COC([C@H]2N(C(=O)Cc3c(cccc3)O)CCCC2)O1 ### Response: O=C(Cc1ccccc1O)N1CCCC[C@H]1C1OCCO1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CON(C)C(=O)c1ccc2nccnc2c1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(cccc(c1)C)OC[C@H](CNC(=O)NC[C@@H]1Oc2ccccc2C1)O ### Response: Cc1cccc(OC[C@@H](O)CNC(=O)NC[C@H]2Cc3ccccc3O2)c1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [10*]N1C(=O)N[C@@]([13*])(C)C1=O Fragment 2: [16*]c1cc(F)ccc1F ### Response: C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CCCCO2)C1=O
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)N1CCC[C@H](C)[C@@H]1CO Fragment 2: [16*]c1ccc2ccccc2c1 ### Response: C[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)[C@H]1CO
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(S(=O)(=O)N[C@@H](C)CCC(C)(C)C)cn1C ### Response: 6
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc2c(c1C)NC(=O)/C2=N\NC(=O)COc1ccccc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a aldehyde group? CCc1cc(OCCn2cc(C#N)cn2)ccc1Cl ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@@H]1OC[C@@]2(CO)CC=C(C)[C@@H]1C2 Fragment 2: [8*]C(C)(C)CO ### Response: CC1=CC[C@]2(CO)CO[C@@H](C(C)(C)CO)[C@H]1C2
functional_group
### Instruction: Does the molecule contain a amine group? Cc1nc(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(=O)[nH]c1C ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[C@H]1C[C@@H]1NC(=O)COc1ccc(C=O)cc1Br ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? c1ccc([C@H]2CN(Cc3nc(-c4cccnc4)no3)CCO2)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cc2ccccc2o1 Fragment 2: [16*]c1ccccc1 ### Response: Cc1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)no1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(Cc1ccn[nH]1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC[C@H]([15*])C1 Fragment 2: [12*]S(=O)(=O)c1ncn(C)c1Cl ### Response: Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(S(=O)(=O)N)ccc([C@@H](NC(=O)CC2CCC2)C)c1 ### Response: C[C@H](NC(=O)CC1CCC1)c1ccc(S(N)(=O)=O)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CC=C Fragment 2: [5*][NH2+]CC=C ### Response: C=CC[NH2+]CC(=O)Nc1ccccc1-n1cccn1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C2(NC(NC(=O)[C@@H](N3CCN(C(=O)OCC)CC3)C)=O)CC3CC(CC1C3)C2 ### Response: CCOC(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)c(Cl)cc1Cl ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH+]1([C@H]2CC[NH+](C2)Cc2cccc3OCOc23)CCCC1 ### Response: c1cc(C[NH+]2CC[C@H]([NH+]3CCCC3)C2)c2c(c1)OCO2
canonicalization
### Instruction: Canonicalize the following SMILES string. CCC1(C(Nc2cc(c(C)cc2)S(=O)(=O)N)=O)CCCC1 ### Response: CCC1(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CCCC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1ccc2nc(CN3CCCc4ccccc43)oc2c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? CN1C(=O)C[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1OC Fragment 2: [1*]C(=O)c1cc([14*])on1 ### Response: COc1ccccc1-c1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)no1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC[4*] Fragment 2: [4*]CCN1C[C@@H](C)OC(C)(C)C1 ### Response: C[C@@H]1CN(CCOC(C)(C)C)CC(C)(C)O1
functional_group
### Instruction: Does the molecule contain a amide group? CCc1nn(C)cc1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)c(C)c1N(C)S(C)(=O)=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? C[C@@H](O/N=C(/N)Cc1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@@H](C[C@H](C1)N(C)Cc1ccccc1C)[NH2+]CC ### Response: CC[NH2+][C@H]1CC[C@H](N(C)Cc2ccccc2C)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1c2ccccc2C[C@@H]1C Fragment 2: [1*]C(=O)[C@H]([4*])C ### Response: C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(C3CC3)no2)C1=O ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C(c1cccc([C@@H](CCNC(NC[C@H]2C[C@H](CCC2)O)=O)C)c1)(F)(F)F ### Response: C[C@H](CCNC(=O)NC[C@@H]1CCC[C@H](O)C1)c1cccc(C(F)(F)F)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)c1nc(C(=O)NCCC2CCCCC2)n[nH]1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCC[C@H](CC[8*])C1 Fragment 2: [16*]c1ccc(F)c(F)c1 ### Response: Fc1ccc(CC[C@H]2CCC[NH+](CCCn3cnnn3)C2)cc1F
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C([O-])[C@H]1CN(C(=O)c2cccs2)CC[NH2+]1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [8*][C@@H]([NH3+])CO ### Response: CC(C)(C)c1cc([C@@H]([NH3+])CO)c(O)c([N+](=O)[O-])c1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1(CC[NH+](CC1)[C@@H]1[C@H](O)CCCC1)NC(c1ccc(cc1)-n1ccnn1)=O ### Response: O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-n2ccnn2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. S(CCC(NCc1ccc(Cl)cc1)=O)(=O)(c1ccc2N([C@H](Cc2c1)C)C(=O)CC)=O ### Response: CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc2C[C@@H]1C
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(C2=NO[C@@H](C(=O)Nc3sc(C)cn3)C2)cc1F ### Response: Cc1cnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(=O)c1cccc(C[NH+]2CC[C@]3(CCC[NH+](Cc4cccc(C)c4)C3)C2)c1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C(CC(N)=O)CCN(C1)c1snc(CC)n1 ### Response: CCc1nsc(N2CCC(CC(N)=O)CC2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1C(C)(C)C1(C)C Fragment 2: [1*]C(=O)OC ### Response: COC(=O)N1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)c1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@]1([NH3+])(C[C@H](CCC1)SC1CCCCC1)CO ### Response: [NH3+][C@@]1(CO)CCC[C@H](SC2CCCCC2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCC Fragment 2: [3*]OC[C@@H]([NH3+])C([4*])(C)C ### Response: CCCOC[C@@H]([NH3+])C(C)(C)N(C)C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC(F)(F)F)o2)cc1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccc4ccccc4n3)ccc21 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@H]1CCCN1[5*] Fragment 2: [1*]C(=O)c1ccccc1[16*] ### Response: O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F
functional_group
### Instruction: Does the molecule contain a halide group? CCN(CC)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(C)ccc2F)CC1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amine group? Cc1occc1CN(C)Cc1cccc(Cl)n1 ### Response: No
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CC1=CC(C)(C)Nc2ccc(/C(Cl)=C(\Cl)c3ncc(Cl)cn3)cc21 ### Response: No
functional_group
### Instruction: Does the molecule contain a ketone group? CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cn[nH]c1C ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(CC(=O)c2cc(Cl)ccc2Cl)nc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(cccc1)S[C@@H](C(NCc1ccc(c(c1)F)-n1cncc1)=O)c1ccccc1 ### Response: O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H](Sc1ccccc1)c1ccccc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C=CCN1C(=O)/C(=C/c2c(N[C@@H](CC)CO)nc3ccccn3c2=O)SC1=S ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a nitrile group? COc1cccc(CNc2ccc(Br)cn2)c1O ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C[C@@H]1CO[C@H](C)CN1CCC1(CCC1)[NH3+] ### Response: C[C@@H]1CN(CCC2([NH3+])CCC2)[C@H](C)CO1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cn1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCCN[5*] Fragment 2: [16*]c1ccc(F)cc1 ### Response: COc1cccc2cc(C(=O)NCCOc3ccc(F)cc3)c(=O)oc12
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CC[8*] Fragment 2: [3*]O[C@@H]1CCC[C@H](C)C1 ### Response: CC(=O)NC1(c2noc(CCC(=O)O[C@@H]3CCC[C@H](C)C3)n2)CCCCCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [5*]N1CCO[C@H]([13*])C1 ### Response: c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC(F)F)cc3)ccc12 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ether group? C[C@H]1CCN(C(=O)NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc([C@H]2CCCCCN2C(=O)CCn2nc(-c3cccs3)oc2=O)cc1 ### Response: 1