task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1noc(CC)c1CC(=O)N[C@@H](c1ccccc1C)C(C)C ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@@H]([8*])c1ccc2c(c1)CCCO2 Fragment 2: [1*]C(=O)C1C[C@H](C)O[C@@H](C)C1 ### Response: C[C@H]1CC(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)C[C@H](C)O1
functional_group
### Instruction: Does the molecule contain a aldehyde group? COc1cccc(N(C)C(=O)c2n[nH]c(C(C)C)n2)c1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC=CCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC[C@@H]1CCC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(S(C)(=O)=O)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a aldehyde group? COCC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)N1CCOCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(N2CC[C@H](C(N)=O)C2)c2c(-c3cccs3)csc2n1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C=CCN(Cc1csc(COc2ccc(C)cc2)n1)C(C)=O ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)C Fragment 2: [1*]C(=O)C[8*] ### Response: CCc1ccccc1NC(=O)C[C@@H]1SC([N-]c2ccc(N(C)C)cc2)=NC1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCC(=O)NCCSc1ccccc1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCc1nn(C)cc1NC(=O)Nc1ccc(N2CCSCC2)cc1C ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2cccnc2)n1N ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1C Fragment 2: [5*]N[C@@H]1OC(=O)c2ccccc21 ### Response: Cc1ccccc1N[C@@H]1OC(=O)c2ccccc21
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nc(Cc2nc(-c3ccc(F)cc3)cs2)cs1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc([C@H](C)NC(=O)CCl)cc1C ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@@H](C)C[C@H](C)CC1[NH+]1CCC(N2CCNC2=O)CC1 ### Response: C[C@@H]1CC([NH+]2CCC(N3CCNC3=O)CC2)C[C@@H](C)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(ccc(C)cc1N1CCN(CC1)C(=O)CCCc1nnc2c(n(-c3cccc(c3)F)ccn12)=O)C ### Response: Cc1ccc(C)c(N2CCN(C(=O)CCCc3nnc4c(=O)n(-c5cccc(F)c5)ccn34)CC2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@H](CC(C)C)C(=O)N1N=C(C)C[C@]1(C)O Fragment 2: [1*]C(=O)c1ccccc1 ### Response: CC1=NN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2)[C@@](C)(O)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C([C@H]1[C@@H](C)OCC1)N(Cc1c(ccc([N+]([O-])=O)c1)Cl)C ### Response: C[C@H]1OCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl
functional_group
### Instruction: Does the molecule contain a halide group? CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1ccc(NC(=O)NC(=O)CN(C)CC[NH+]2CCCC2)c(C)c1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C[C@H](Nc1nc(ncc1)C)C)C[NH3+] ### Response: Cc1nccc(N[C@H](C)CCC[NH3+])n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@H]1Nc2cc(F)ccc2S(=O)(=O)N1 Fragment 2: [3*]OCC ### Response: CCOC(=O)c1ccc(NC(=O)[C@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(N)c(C#N)c(-c2cc3c(OCCO3)cc2OC)c2c1C[C@@H]1N[C@H]2CC1 ### Response: COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@@H]1CC[C@H](C3)N1)OCCO2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1c(Br)cc(C[NH2+]Cc2ccco2)cc1Br ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(=C)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ### Response: C=CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCCC1 Fragment 2: [4*]Cc1oc2ccc(F)cc2c1C ### Response: C/[NH+]=C(/NCc1oc2ccc(F)cc2c1C)N1CC[C@H]([NH+]2CCCC2)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc(C(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC(=O)c1ccc(F)c(F)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2)no1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CC(C)CC[NH+]1Cc1c(cc(C#N)cc1)F ### Response: CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1C Fragment 2: [8*][C@H](CC(=C)CC)C(=O)[O-] ### Response: C=C(CC)C[C@H](C(=O)[O-])c1ccccc1C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1nccs1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a sulfonyl group? Cc1ccncc1NC(=O)/C=C/SCc1ccco1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H]1CN(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CCO1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](O)C1 ### Response: 5
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCc1cc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)no1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=[N+](c1ccc(cc1)O[C@H](C)C(NC(CC)CC)=O)[O-] ### Response: CCC(CC)NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)CC(=O)Nc1ccccc1C(F)(F)F ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cccc(C)c1NC1=CC(=O)N(CCO)C1=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a carboxyl group? Cc1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)nn1-c1ccc(F)cc1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(C[C@H](c2c(C)cccc2)C[C@@H]1C)C([C@@H](C)Sc1ccccn1)=O ### Response: Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)Sc2ccccn2)C1
functional_group
### Instruction: Does the molecule contain a amine group? Cn1ncc2c1CCc1sc(NC(=O)COc3cccc(F)c3)nc1-2 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(c1cccc(c1)NC(CSC1N=C2[C@@H](C(N=1)=O)SC(N2c1c(C)cccc1)=S)=O)C ### Response: CC(=O)c1cccc(NC(=O)CSC2=NC(=O)[C@H]3SC(=S)N(c4ccccc4C)C3=N2)c1
functional_group
### Instruction: Does the molecule contain a nitro group? Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(C1CC(C)(C)[NH2+]C(C)(C)C1)CO2 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. S(C)(=O)(=O)CCNC(=O)N[C@@H](C1CCC1)c1ccccc1 ### Response: CS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C1CCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [10*]N1CCCC1=O Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@H]([8*])C Fragment 2: [9*]n1nc(C)cc1C ### Response: Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)[C@@H]1N=N[C@H](NC(=O)CSC2[NH+]=c3ccccc3=[NH+]2)S1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitrile group? Nc1c(Br)cc(F)cc1C(F)(F)F ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC[C@@H](O)C1 Fragment 2: [1*]C(=O)c1cc2ccc(OC)cc2[nH]1 ### Response: COc1ccc2cc(C(=O)N3CCC[C@@H](O)C3)[nH]c2c1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=c1n(C)c(c2nc(C[NH+](C)C[C@@H]3CCN(C3)C(C)=O)nc-2n1C)[O-] ### Response: CC(=O)N1CC[C@@H](C[NH+](C)Cc2nc3c([O-])n(C)c(=O)n(C)c-3n2)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)ccc1C ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1([C@@H]2C[C@@H]2C[NH3+])c(cc(F)cc1)F ### Response: [NH3+]C[C@H]1C[C@H]1c1ccc(F)cc1F
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCC1(Cc2c(C)cc(C)cc2C)C[NH2+]C1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1C Fragment 2: [3*]Oc1ccccc1C ### Response: C[NH2+][C@@]1(CO)CCC[C@@H](Oc2ccccc2C)C1
functional_group
### Instruction: Does the molecule contain a nitrile group? COCc1nc2ccccc2n1Cc1noc(-c2ccco2)n1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NS(=O)(=O)CC Fragment 2: [12*]S(=O)(=O)CC ### Response: CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3)C2)c1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(NCCO)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1[nH+]cn(C[C@@H](C)[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)c1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1noc([14*])n1 Fragment 2: [13*][C@]1(C)CCCO1 ### Response: C[C@@H](Cl)c1nc([C@]2(C)CCCO2)no1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc2c(c1)=C(CCN/C(=N\C(C)=O)Nc1nc(C)cc(C)n1)C[NH+]=2 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1c(Br)cccc1C(=O)NCCC[NH+](C)CC(F)(F)F ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccc(F)cc2Cl)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1sc([S-])nc1C Fragment 2: [1*]C(=O)C[8*] ### Response: Cc1nc([S-])sc1CC(=O)N1CCC(C)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(C(=O)CCN2CCOCC2(C)C)cc1F ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. O(C)/N=C\C(=C/c1cnccc1)C#N ### Response: CO/N=C\C(C#N)=C/c1cccnc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)OC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@H](C(N)=O)[C@@H]1c1ccccc1C(F)(F)F ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? CCCCC[NH+]1CCN(C(=O)N(C)C)CC1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc2c(=C(C(=O)Nc3c(cccc3CC)C)CC(=O)[NH+]=2)c1 ### Response: CCc1cccc(C)c1NC(=O)C1=c2ccccc2=[NH+]C(=O)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C=CCN(C(=O)c1cccc(NC(C)=O)c1)c1nc(-c2ccccc2)cs1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c([C@@H](C)NC([C@H](Sc2nc(cc(n2)N)N)CC)=O)cccc1 ### Response: CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H](C)c1ccccc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [1*]C(=O)[C@@H]1C[C@H]1[15*] ### Response: O=C1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)N1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(O)c(C(=O)c2c[nH]c(-c3nnc4n3CCCCC4)c2)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[C@@](C)(Cc1nc([C@H]2CN(C)CCO2)no1)C(=O)[O-] ### Response: 4
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C1C[C@@H]([NH2+]Cc2cccnc2)C(=O)N1c1ccc(Cl)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccnc2ccccc12 Fragment 2: [5*]N1CCCCC1 ### Response: O=C(NCCC(=O)N1CCCCC1)c1ccnc2ccccc12
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc2oc(=O)[nH]c2c1 Fragment 2: [1*]C(=O)c1ccc2nc(C)c(C)nc2c1 ### Response: Cc1nc2ccc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cc2nc1C
canonicalization
### Instruction: Canonicalize the following SMILES string. O(c1cc(ccc1NC(C(=O)N[C@H]1[C@@H]2[NH+](CC1)CCCC2)=O)C)CC ### Response: CCOc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)c1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n[nH]1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1ccc([C@@H](C)NCc2nc3c(s2)CCC3)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a phenol group? CN(Cc1ccc(Cl)nc1)C(=O)Nc1cccc2ccccc12 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. [NH3+]CCCC(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amide group? O=C1CN(C(=O)CN2CCc3ccccc32)CCN1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)c(C#N)c(C)c1C ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](CCl)CS(=O)(=O)N(C)Cc1ccncc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc2c(c1)COC2 Fragment 2: [4*]CCO ### Response: O=C(Nc1ccc2c(c1)COC2)N(CCO)[C@@H]1CCCc2ccccc21
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1O ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1cccc(F)c1 Fragment 2: [14*]c1nc2ccccc2s1 ### Response: Fc1cccc(Oc2nc3ccccc3s2)c1