task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cn1c(C[NH3+])nnc1S[C@@H]1CCOC2(CCCC2)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)cc1C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc([C@@H]2C(C(OCC)=O)=C(NC3=NC(=NC(=O)[C@H]32)SCC=C)C)cc1 ### Response: C=CCSC1=NC(=O)[C@@H]2C(=N1)NC(C)=C(C(=O)OCC)[C@H]2c1ccccc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1c(C)nc2ccccc21 Fragment 2: [1*]C(=O)c1ccc(F)c(F)c1 ### Response: Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccc(F)c(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CN(CCN1c1ccc(cc1)O)c1c2c(sc(C(OC)=O)c2C)nc(C)n1 ### Response: COC(=O)c1sc2nc(C)nc(N3CCN(c4ccc(O)cc4)CC3)c2c1C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a aldehyde group? COc1c2c(cc3c1[C@H](C#C[C@](C)(O)CCC=C(C)C)N(C)CC3)OCO2 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](c1ccc(NC(=O)c2c(O)cccc2O)cc1)N1CCOCC1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(S[C@@H](C)CCO)CCCCCC[C@H]1[NH2+]CCC ### Response: CCC[NH2+][C@@H]1CCCCCC[C@H]1S[C@@H](C)CCO
functional_group
### Instruction: Does the molecule contain a ether group? C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3cccs3)cc2C1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? Cc1c(OC(=O)c2cccnc2)ccc2c1O/C(=C\c1ccncc1)C2=O ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cn1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(-c2ccccc2)n1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aldehyde group? CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc2c(c1)c(=O)c1ccoc1n2C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1ncn[nH]1 Fragment 2: [1*]C(=O)c1ccccc1C[4*] ### Response: COc1ccc(F)c(NC(=O)c2ccccc2CSc2ncn[nH]2)c1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? COc1ccc(C(=O)NC(=S)NNC(=O)Cn2ccc3ccccc32)cc1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1ccccn1 Fragment 2: [5*][NH+](C)C ### Response: C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCCc2ccccn2)C1
functional_group
### Instruction: Does the molecule contain a ester group? Cc1ccc(C(=O)/N=C(/NCc2cccnc2)Nc2ccc(Br)cc2)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a phenol group? Cc1ncccc1NCc1ccc(O)cc1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(C)c(C(=O)Cn2nnc(-c3ccccc3)n2)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]S[C@@H]1CCC[C@](C#N)(NC)C1 Fragment 2: [11*]Sc1ncccc1Cl ### Response: CN[C@@]1(C#N)CCC[C@@H](Sc2ncccc2Cl)C1
functional_group
### Instruction: Does the molecule contain a amide group? C[C@H](NC(=O)NCC(C)(C)[NH+](C)C)C(=O)N1CCCC[C@H]1C ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccncc12 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](Cc1ccc(C2CC2)cc1)C(=O)[O-] ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C=CCNC(=O)CN1CCN(c2ccc(OCC)cc2)C1=O ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(C)ccc1-c1scc(n1)CC(=O)NCc1cc(CC)no1 ### Response: CCc1cc(CNC(=O)Cc2csc(-c3ccc(C)cc3)n2)on1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(C2CC2)n2c(c1C(=O)N(C[C@@H](COC)O)C)cccc2 ### Response: COC[C@@H](O)CN(C)C(=O)c1nc(C2CC2)n2ccccc12
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCCC1 Fragment 2: [15*]C1([NH3+])CCC1 ### Response: C[C@@H](CNC(=O)CC1([NH3+])CCC1)C[NH+]1CCCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CC[NH+]([5*])CC1 Fragment 2: [4*]Cc1cc(=O)oc2cc(N[5*])ccc12 ### Response: COC[C@@H](C)N1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OCc3nc(N)nc(N)n3)cc12 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CN1C(=O)CNC(=O)[C@H]1C Fragment 2: [10*]N1C(=O)CNC(=O)[C@H]1C ### Response: C[C@@H]1C(=O)NCC(=O)N1C[C@@H]1CN(C)CCO1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN(C(=O)[C@H]1C[C@H]2CC[C@@H]1O2)C1CCOCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCO[C@H]1C[C@@H]([O-])C12CC[NH+](Cc1nnc(C3CC3)o1)CC2 ### Response: 2
functional_group
### Instruction: Does the molecule contain a nitrile group? COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)OC)c1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[NH+](C)CC(=O)Nc1cc(N)ccc1Cl ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C[C@H](C)[C@H](O)CN1C(=O)c1ccc2c(C(N(C)C2=O)=O)c1 ### Response: C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC(=O)N1CCC([NH+](C)Cc2ccc(SC)c(OC)c2)CC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)NNC(=O)C[8*] Fragment 2: [5*]NCc1cn(C)nc1CC ### Response: CCc1nn(C)cc1CNC(=O)NNC(=O)Cc1cn2ccccc2n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCO/C([O-])=C1\C(=O)N=C(SC)[C@@H](C#N)[C@H]1c1ccccc1OC ### Response: 2
functional_group
### Instruction: Does the molecule contain a sulfonyl group? O=S(=O)(/N=C(\[O-])C[C@H]1CCOc2ccccc21)C1CCCC1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. c1ccc2nc(NCCCc3nc4ccccc4[nH]3)cnc2c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aldehyde group? Cc1cccc2nc(C(=O)N3CCN(CCc4ccccc4)CC3)cn12 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(S(CC=C)(=O)=O)c2ccccc2c(c1)Cl ### Response: C=CCS(=O)(=O)c1ccc(Cl)c2ccccc12
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)CNC(=O)[C@@H](C)Oc1ccc(F)cc1[C@@H](C)O ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1cccc(C#N)c1 Fragment 2: [1*]C(=O)[C@H](C)O[3*] ### Response: C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1Cl
canonicalization
### Instruction: Canonicalize the following SMILES string. Cn1ncc(CNC(=O)Nc2c(C)[nH+]c(cc2)N2CCOCC2)c1C ### Response: Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1cnn(C)c1C
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc([C@@H](CN2C(=O)N[C@](c3ccc4c(CCC4)c3)(C2=O)C)O)cc1C(F)(F)F ### Response: C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CCOc1ccc(F)c(C(=O)OC[C@H]2CCCCO2)c1F ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(NCCO)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitrile group? CCCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1ccccc1NC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC2CC2)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a nitro group? CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C12CCC2 ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccc([16*])cc1C Fragment 2: [1*]C(=O)c1ccc(=O)[nH]c1 ### Response: Cc1ccc(-c2ccc(OC(=O)c3ccc(=O)[nH]c3)c(C)c2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CS[11*] Fragment 2: [4*][C@H](C)C(=O)[O-] ### Response: C[C@@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)[O-]
functional_group
### Instruction: Does the molecule contain a halide group? O=C(NNc1ccccc1Cl)Nc1ccccc1-n1cccn1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(C)cc2)n1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nn(C2CCCCC2)c2[nH]c(-c3ccccn3)nc12 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@@H]1CSCC[NH2+]1 Fragment 2: [1*]C(=O)C[8*] ### Response: C[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCN(C/C(N)=N/O)C(=O)[C@H]1CSc2ccccc21 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CC([8*])(C)C Fragment 2: [16*]c1c(C)noc1CC ### Response: CCc1onc(C)c1NC(=O)NCC(C)(C)c1ccc(Cl)cc1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=c1c2c3n(c(SCc4ccccc4)nc-2nn1-c1ccccc1)CCCCC3 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. N1CCN(c2ccc(cn2)C#N)[C@@H](CC1=O)C ### Response: C[C@@H]1CC(=O)NCCN1c1ccc(C#N)cn1
canonicalization
### Instruction: Canonicalize the following SMILES string. C[NH+]1Cc2cnc(C3CCN(CC3)C(c3cc[nH]n3)=O)nc2CC1 ### Response: C[NH+]1CCc2nc(C3CCN(C(=O)c4cc[nH]n4)CC3)ncc2C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C([8*])CC Fragment 2: [5*]N1CCC[C@H]1[13*] ### Response: CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C#N)cs1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(C(=O)Nc2ccc(Cl)cc2)s1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C12CC3CC(CC(C3)C1)C2 Fragment 2: [1*]C(=O)C[8*] ### Response: C[C@H](CC(N)=S)NC(=O)CC12CC3CC(CC(C3)C1)C2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c(C)c1 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1nc([14*])c2c1NC(=O)C[C@@H]2c1ccc(OC)cc1OC Fragment 2: [16*]c1ccccc1 ### Response: COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c(OC)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccc2ccccc12 Fragment 2: [1*]C(=O)C[8*] ### Response: O=C(Cc1cccc2ccccc12)NCCOc1ccc2c(c1)OCO2
functional_group
### Instruction: Does the molecule contain a ketone group? Nc1c(Cl)cnn1CCO ### Response: No
functional_group
### Instruction: Does the molecule contain a amine group? CC/[NH+]=C(/NCCc1sc(C)nc1C)N1CC[C@@H]([NH+]2CCCC2)C1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(CN(C)c2ccc(Cl)c(CCl)n2)n1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN1CC(=O)N(CCCC(=O)Nc2ccccc2N2CCCC2=O)C1=O ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [1*]C(C)=O ### Response: CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Cl
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nc(N2C[C@@H](C)[C@H](C)C2)sc1C[NH3+] ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nn2c([14*])nnc2s1 Fragment 2: [8*]Cc1nnc2sc([14*])nn12 ### Response: Cc1nc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)co1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCCOc2c(Br)cccc21 ### Response: 1
functional_group
### Instruction: Does the molecule contain a phenol group? CCCn1c(C)c(C(=O)N(C)Cc2nnc3n2CCC3)c2cc(OC)ccc21 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC1(C)C[NH+](Cn2nc3n(c2=S)CCCCC3)CCS1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(CC(=O)N2CCN(C(=O)c3cc(C)cc(F)c3)CC2)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a thiol group? CC(C)N(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCn1nc(C)c(CN(C)[C@@H]2CCCN(c3ccccc3)C2)c1C ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC[C@H](C)NC(=O)NCC[NH+]1CCCC[C@@H]1C ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C(N(C)C(=O)C1[C@@H]2CCC[C@H]12)[C@H](C#N)C ### Response: C[C@@H](C#N)CN(C)C(=O)C1[C@H]2CCC[C@@H]12
canonicalization
### Instruction: Canonicalize the following SMILES string. C=CC[NH+](C[C@]1(C(N(CCC2CCCCC2)CCC1)=O)O)C ### Response: C=CC[NH+](C)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC1=C(C(=O)OC(C)C)[C@H](C)C(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)=N1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(c1nccnc1)N([C@H](C(Nc1ccc(F)cc1)=O)c1ccccc1C)Cc1ccc(C)cc1 ### Response: Cc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2C)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@H](C)C2 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)CCc1noc([C@H]2Cc3[nH+]c[nH]c3CN2)n1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC1CC[NH+]([C@@H](C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCOC[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(CSc1nnc(-c2cc(Br)ccc2)n1N)Nc1cc(OC)ccc1OC ### Response: COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [1*]C(=O)c1cc([14*])[nH]n1 ### Response: C[C@H]1CCCC[NH+]1CCCCNC(=O)c1cc(C(C)(C)C)[nH]n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3 Fragment 2: [1*]C(=O)[C@H](C)N[5*] ### Response: CCn1cc(C(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)c(=O)c2cc3c(cc21)OCO3
functional_group
### Instruction: Does the molecule contain a halide group? O=C(CCn1cnc2sccc2c1=O)N1CCCSCC1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C([C@@H](Oc1ccc(F)cc1)C)NCc1ccccn1 ### Response: C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccn1