task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [10*]N1C(=O)c2ccccc2C1=O Fragment 2: [1*]C(C)=O ### Response: CSc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1NC(C)=O
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCc1ccc(F)cc1 Fragment 2: [1*]C(=O)N([5*])C ### Response: C[C@H](NC(=O)N(C)CCc1ccc(F)cc1)c1cccc(-n2cccn2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@]([8*])(C)O Fragment 2: [16*]c1ccc(F)cc1 ### Response: Cc1c(C(=O)NC[C@](C)(O)c2ccc(F)cc2)cccc1[N+](=O)[O-]
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cn1ccnc1[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccc(F)cc1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(C)(C)C(=O)NN ### Response: Yes
functional_group
### Instruction: Does the molecule contain a halide group? C[C@H]1CSCCN1[C@H](C[NH3+])CC(=O)N1CCCC1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. N#Cc1c(F)cccc1N1CCN(Cc2cnc[nH]2)CC1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. Fc1c(c(N2N=C(C(C2=O)(Br)Br)c2ccccc2)c(c(F)c1F)F)F ### Response: O=C1N(c2c(F)c(F)c(F)c(F)c2F)N=C(c2ccccc2)C1(Br)Br
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C#CCNC(=O)Nc1cccc(C)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN(C)c1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1-n1cnnn1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1CCN(C([1*])=O)CC1 Fragment 2: [1*]C(=O)C1CCN([5*])CC1 ### Response: Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)n1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CSc1nc2ccccc2o1)N/N=C\c1cc(Br)cc(Br)c1[O-] ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccnn1C1CCCCC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC[C@@H](CS)CN1CCO[C@@H](CC)C1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(C[C@@H]1C=CCC1)Nc1ccc(-n2cncn2)nc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCCc1ccccc1)NCCc1csc2nc(-c3cccs3)nn12 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [5*]NC1CCCC1 ### Response: O=C(C[NH+]1CCc2ccccc2C1)NC1CCCC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[C@@H]1O ### Response: 1
functional_group
### Instruction: Does the molecule contain a aldehyde group? CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c12ccc(cc2CCCCN1C([C@@H]1CN(CC1)C(C)=O)=O)Br ### Response: CC(=O)N1CC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1Cl ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C([C@@H](c1ccc(cc1)F)NC(=O)N[C@H]1C[C@H]([NH+](C1)C1CC1)C)C(F)(F)F ### Response: C[C@@H]1C[C@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C[NH+]1C1CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(C(=O)Cn2c(cccc2)=O)CCC[C@H]1C(=O)N(C)C ### Response: CN(C)C(=O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(OC)c(-c2cc(C3CCN(c4[nH+]cccc4[N+](=O)[O-])CC3)[nH]n2)c1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(C(N[C@H](c2n3c(nn2)CC[NH+](Cc2ccc(cc2)CC(C)C)CC3)C)=O)c(oc1)C ### Response: Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[NH+](Cc1ccc(CC(C)C)cc1)CC2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C#Cc1cc(F)c(NC(=O)N2CC[S@](=O)C(C)(C)C2)c(F)c1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(=O)Nc1ccc(C)cc1NC(=O)CCNC(=O)C1CCCCC1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(C)noc1C)S(=O)([N-]c1ccc(c(c1)F)N1CCOCC1)=O ### Response: Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(ccc(cc1)OC)NC(=O)Nc1ccn(n1)Cc1c(cccc1)F ### Response: COc1ccc(NC(=O)Nc2ccn(Cc3ccccc3F)n2)cc1
functional_group
### Instruction: Does the molecule contain a aldehyde group? CCOC(=O)CC[C@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)C1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(N2CC[C@@H](N[C@@H](C)c3ccc(-n4cnnn4)cc3)C2=O)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1c[nH]c2ccccc12 Fragment 2: [1*]C(=O)c1ccc([N+](=O)[O-])o1 ### Response: O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])o1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC[C@]2(CC1)CNC(=O)O2 Fragment 2: [1*]C(=O)c1cc2c(s1)CCCCC2 ### Response: O=C1NC[C@@]2(CCCN(C(=O)c3cc4c(s3)CCCCC4)CC2)O1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(S(C)(=O)=O)cc1C(=O)/N=c1/sccn1Cc1ccccc1Cl ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[C@@H](C)CNC(=O)c1nc[nH]n1 ### Response: 4
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@H](CCO)CNC(=O)Cc1cccc(Br)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@@H]([8*])CO Fragment 2: [4*][C@@H]([8*])CO ### Response: Cc1n[nH]c(C)c1NC(=O)N[C@H](CO)c1ccc(Cl)cc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C([O-])c1ccc(-c2ccsc2)cc1O ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](Cn1cccn1)[NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CS(=O)(=O)C[8*] Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: CC[C@@H](C)c1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C)n2C)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. O(c1cc(ccc1C)NC(C[C@H](O)c1ccccc1)=O)CC(F)F ### Response: Cc1ccc(NC(=O)C[C@H](O)c2ccccc2)cc1OCC(F)F
functional_group
### Instruction: Does the molecule contain a nitrile group? CCC[C@@H](C)NC(=O)[C@@H]1CCC[NH+](Cc2cc(C#N)ccc2F)C1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. n1[nH]ncc1SCCCC(C#N)(C)C ### Response: CC(C)(C#N)CCCSc1cn[nH]n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+](C)C Fragment 2: [1*]C(=O)c1ccc(S(=O)(=O)c2ccccc2)o1 ### Response: C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1
functional_group
### Instruction: Does the molecule contain a thiol group? Cc1cn(-c2ccccc2Cl)nc1NC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]C[C@H](C)[NH2+][5*] Fragment 2: [4*][C@@H](C)c1nc2cc(Cl)ccc2n1C ### Response: C[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1nc2cc(Cl)ccc2n1C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCOc1ccc(NC(=O)CC[C@@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CCCC[C@@H]1Oc1ccc(C=O)o1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O ### Response: 3
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(C)(C)C2(C)C)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a nitro group? [NH3+][C@H]1C=C[C@@H](C(=O)N2CCCc3ccccc3C2)C1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCOC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCn1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)cn1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cc([14*])nn1C Fragment 2: [5*]N1CCC[C@H]1[13*] ### Response: CCCc1cc(NC(=O)N2CCC[C@H]2CSC)n(C)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)CC[8*] Fragment 2: [4*]CC[NH+]1CCCC1 ### Response: Cc1ccc(CCN(C)CC[NH+]2CCCC2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccnc2)C1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. Clc1c(c2c([C@H]3C=CC[C@@H]3[C@@H](N2)c2cc(c(OC)c(c2)OC)OC)cc1)C ### Response: COc1cc([C@@H]2Nc3c(ccc(Cl)c3C)[C@H]3C=CC[C@@H]32)cc(OC)c1OC
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(C(=O)NC)ccc(c1)CN(C(N[C@@H]1C[C@@H]([NH+](C)C)CC1)=O)Cc1occc1 ### Response: CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1
functional_group
### Instruction: Does the molecule contain a amide group? CC1CCN(C(=S)SCC(=O)N(C)C)CC1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a phenol group? C[C@@H](C(=O)NCc1cccs1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CCCCC1 Fragment 2: [4*]Cc1nc2cc(N)ccc2o1 ### Response: CC[NH+](Cc1nc2cc(N)ccc2o1)C1CCCCC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCN(Cc1ccc(Br)s1)C(=O)Cn1cnc(C#N)n1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1C[C@H](C)O[C@@H](C)C1 Fragment 2: [5*]N1CCN([5*])CC1 ### Response: C[C@H]1CC(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C[C@H](C)O1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cscn1 Fragment 2: [5*][NH+]([5*])C1CCCCC1 ### Response: Oc1ccccc1C[NH+](Cc1cscn1)C1CCCCC1
functional_group
### Instruction: Does the molecule contain a ether group? Cc1ccsc1CNC(=O)C[NH+]1CCC[C@H]1CN1CCOCC1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(CCC[NH+]1CC)CNC(c1onc(n1)COc1c(ccoc1C)=O)=O ### Response: CC[NH+]1CCC[C@@H]1CNC(=O)c1nc(COc2c(C)occc2=O)no1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nc(C[NH+]2CCC[C@H]2[C@@H]2CCCCC2=O)cs1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a phenol group? Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1C[C@@H](CC(C)(C)C)CC2 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. OC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(c2)C)cc1 ### Response: Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)CO)cc2)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)C[C@H]([NH3+])c1nc(-c2ncc[nH]2)no1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? CC(C)N(C(=O)Cc1coc(-c2cccs2)n1)C1CCC1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a phenol group? O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccc(C)c(F)c1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. CC1(C)C[C@H](C)C[C@@]([NH2+]CC(=O)NC(C)C)(C1)CO ### Response: CC(C)NC(=O)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1nc2c(c(=O)[nH]c(=O)n2C)n1[9*] Fragment 2: [4*]Cc1ccccc1 ### Response: CCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cc(Br)ccc1O Fragment 2: [4*]Cc1sccc1C ### Response: CC[C@H]([NH2+]Cc1sccc1C)c1cc(Br)ccc1O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@@H]1CCCC[NH+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1CC Fragment 2: [5*]NC(=S)N[5*] ### Response: CCCCNC(=S)Nc1ccccc1CC
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C1\C(=O)Nc2ccccc21 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(C(Nc2cccc(Cl)c2)=O)ccc1/N=C1\N[C@H]2[C@@H](CS(=O)(=O)C2)S1 ### Response: O=C(Nc1cccc(Cl)c1)c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. S=c1n(CN2CCOCC2)cnn1CN1CCOCC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1occc1C Fragment 2: [1*]C(=O)C(F)(F)F ### Response: Cc1ccoc1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)CC[8*] Fragment 2: [4*]CC[NH+]1CCCC1 ### Response: CN(CC[C@@H]1CCC[C@]1(N)C#N)CC[NH+]1CCCC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccccc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H]1CCc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)csc2C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)N1C[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1=O ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc2c(c1)N(C(=O)[C@@H](C)OCC1CC1)CCO2 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)[NH2+]CC1(C[C@@H]2C[C@H]3CC[C@@H]2C3)CCCCC1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CNc1cc[nH+]c(CN2CCC[C@H](C)C2)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)Cc1nc(-c2ccoc2)no1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1c(C)cc(C[NH2+]Cc2n[nH]c(-c3ccco3)n2)cc1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccc(OC)c1 Fragment 2: [16*]c1ccccc1 ### Response: COc1cccc(C(=O)NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c2cccc(F)c12 ### Response: 2
functional_group
### Instruction: Does the molecule contain a sulfonyl group? COc1ccc2c(c1)sc1nc([O-])cc(=O)n12 ### Response: No