task
stringclasses
5 values
input
stringlengths
89
339
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(OC)cc1 Fragment 2: [1*]C(=O)C[4*] ### Response: CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2[nH]c(C)c(C)c2c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(OCc1nnsc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]Cc1ccc(F)cc1 Fragment 2: [1*]C(=O)c1ccc(=O)n(C[8*])n1 ### Response: O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1
functional_group
### Instruction: Does the molecule contain a amide group? C=C(C)C[NH+](CC)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)s1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccc(F)cc1F Fragment 2: [16*]c1ccc(F)cc1F ### Response: O=C(COc1ccc(F)cc1F)NCc1ccc(Cl)s1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CC1 Fragment 2: [5*]N1/C(=N/C([6*])=O)S[C@@H]2CS(=O)(=O)C[C@H]21 ### Response: O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)C1CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC1(CO)CCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(ccc1)C1(NC(=O)CN2C[C@@H](NC(OCC)=O)CCC2)CCC1 ### Response: CCOC(=O)N[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(OC)c(F)c1 Fragment 2: [5*]N1CCN([5*])CC1 ### Response: COc1ccc(N2CCN(C(=O)CCc3ccccc3O)CC2)cc1F
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(C)sc(c1C)C(=O)N1[C@@H](c2c(nn(c2OC)C)C)CCC1 ### Response: COc1c([C@H]2CCCN2C(=O)c2sc(C)nc2C)c(C)nn1C
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1F ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cc[nH]n1 Fragment 2: [7*]Cc1ccc2cccc(O)c2n1 ### Response: O=C(Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1)c1cc[nH]n1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@H]1COCCN1C(=O)c1cccc(C(F)(F)F)c1F ### Response: 0
functional_group
### Instruction: Does the molecule contain a amine group? CC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1cccnc1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [11*]Sc1ccc(C)cc1 ### Response: Cc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CC[C@@H](c2noc([C@H]3C=C[C@@H]([NH3+])C3)n2)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]([NH2+]C[C@H](C(=O)N1CCOCC1)c1ccccc1)C1CCC1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](c1ccncc1)N(C)C(=O)NCCn1cccc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@H](C)c1ccc2c(c1)OCO2 Fragment 2: [16*]c1ccccc1 ### Response: CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)[C@H]1[C@@H](c2ccccc2)c2sc([S-])nc2S[C@@H]1C(=O)OCC ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnc(N3CCOCC3)nc2)c1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(Cn1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc21)NC[C@H]1CCCO1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccccc1N1CCN(C(=O)CSCc2nnnn2C2CCCC2)CC1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)C[C@H]([NH2+][C@H]1CS[C@H](C)C1)C(=O)N(C)C ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCc1csc([14*])n1 Fragment 2: [1*]C(=O)c1nc2ncccn2n1 ### Response: O=C(NCc1csc(-c2ccccc2)n1)c1nc2ncccn2n1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc(C(=O)N(C)Cc2ccccc2Br)cc(Cl)c1OC ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)cc(-c2nnc(Sc3cc(C)c([N+](=O)[O-])cn3)o2)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc([N+](=O)[O-])c(OC)c1 Fragment 2: [5*]N1C[C@@H](C)O[C@@H]([13*])C1 ### Response: COc1cc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-]
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(C)(C)CNC(=O)COC1CCCC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitro group? O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1[N+](=O)[O-] ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C1NC(=O)/C(=C\c2cccc(Cl)c2)N1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@H]1CCC[C@@H]1O Fragment 2: [1*]C(=O)c1c(C)nn2cccnc12 ### Response: Cc1nn2cccnc2c1C(=O)NC[C@H]1CCC[C@@H]1O
functional_group
### Instruction: Does the molecule contain a nitrile group? C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2ccccc2c1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccsc3)n2)cc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(OCCCOc2ccc(C#N)cc2)nc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CN[5*] Fragment 2: [1*]C(=O)[C@H](C)CC ### Response: C#Cc1cc(F)c(NC(=O)CNC(=O)[C@H](C)CC)c(F)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1c(NC(=O)N[C@H](C)c2cc3ccccc3o2)cccc1C(=O)N1CCOCC1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccc(C)cc1)C2 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)cc(=O)[nH]1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccc(N[5*])c1 Fragment 2: [3*]OCc1nc2ccccc2s1 ### Response: CC(=O)Nc1cccc(C(=O)OCc2nc3ccccc3s2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)C1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCCC1 Fragment 2: [4*][C@](C)(CC)[C@H](C[8*])NC ### Response: CC[C@](C)([C@H](Cc1ccc(F)cc1F)NC)[NH+]1CCCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CC[C@@H]([C@H](C1)CC)[C@@H](C(OCC)OCC)O ### Response: CCOC(OCC)[C@@H](O)[C@H]1CCCC[C@@H]1CC
canonicalization
### Instruction: Canonicalize the following SMILES string. C(NC[C@@]1(O)CCSC1)([C@@H](C)Oc1c(C)cc(Cl)cc1)=O ### Response: Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@]1(O)CCSC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(c2c([nH]1)nc(SC)nc2)-c1ccccc1 ### Response: CSc1ncc2c(-c3ccccc3)n[nH]c2n1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@@H](C)c1cnccn1 Fragment 2: [5*][NH2+]CC(C)(C)C[C@@H](C)O ### Response: C[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cnccn1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(NC(N[C@H](CO)C)=O)c(OCCn2cc[nH+]c2)ccc1 ### Response: C[C@@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)C=C1CCSCC1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a ether group? CCOC(=O)c1nc([C@H]([NH3+])c2ccc(F)c(Br)c2)no1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a carboxyl group? O=C(NCCc1cccc(O)c1)NC[C@]1(O)CCCc2ccccc21 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@]1(O)([C@@]2(CC[C@H]3[C@@H](CCC4[C@@]3(C)CCC(=O)C=4)[C@@H]2CC1)C)C ### Response: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)(C)NC(=O)NC(=O)CCSc1nccc(C(F)(F)F)n1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? CC(=O)c1cccc(OCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)c1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1noc(C)c1CCCNC(=O)c1cnn(C)c1-n1cccc1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(CCc1ccsc1)N1CCCC[C@@H]1c1nc[nH]n1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. NC(=O)[C@H]1CN(Cc2cnc(C3CCCC3)s2)CCO1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Clc1cccc(C[NH2+]Cc2ccc3nccnc3c2)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc(C2(C(=O)N[C@@H]3C[C@@H]3C)CC2)ccc1C ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(cc1O)C[C@H](c1cc(Br)cc(F)c1)O ### Response: Oc1cccc(C[C@@H](O)c2cc(F)cc(Br)c2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCOc1ccc(-c2nc(N)ccc2[N+](=O)[O-])cc1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(Cc2ccncc2)n1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@H]([8*])C[NH3+] Fragment 2: [5*][NH+]1CCC(C)(C)C1 ### Response: CC1CCC([C@H](C[NH3+])[NH+]2CCC(C)(C)C2)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(c1cc(cnc1ON)[N+]([O-])=O)N ### Response: NOc1ncc([N+](=O)[O-])cc1C(N)=O
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C)(C)(C[NH2+][C@@H]1CCO[C@]2(C1)COCC2)[NH+](C)C ### Response: C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. Cc1ccc(C(O[C@@H](C(NCc2ccc(cc2)OC)=O)C)=O)cc1 ### Response: COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(C)cc2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2cc[nH]c2n1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(O)CNC(=O)c1cc(Cl)cc(Cl)c1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(Oc2ccccc2)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1ncnc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccco2)CC1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH+]1(Cc2c(C)cc(C)cc2-n2cccn2)[C@@H]2CCNC[C@H]1CC2 ### Response: Cc1cc(C)c(C[NH+]2[C@@H]3CCNC[C@H]2CC3)c(-n2cccn2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(F)cc1NC(=O)N(C)Cc1ccc(Br)o1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C[S@@](=O)c1ccc(C[NH2+]CCC2CCCC2)cc1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O ### Response: 2
functional_group
### Instruction: Does the molecule contain a halide group? COC(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc([C@H](O)C[C@@H]2CCCCC[NH2+]2)c1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCC[C@@H]1[13*] Fragment 2: [1*]C(=O)C[4*] ### Response: O=C(C[NH+]1CCC[C@@H]1C(=O)[O-])NCc1ccc(Cl)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCCCCC1 Fragment 2: [1*]C(=O)CN[5*] ### Response: O=C(CNC(=O)C1CCCC1)Nc1nc(C[NH+]2CCCCCC2)cs1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CCCCC1NS(=O)(=O)c1ccc(cc1)OCC(=O)N ### Response: NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? N#Cc1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cc(OC)cc(OC)c1 Fragment 2: [11*]Sc1ccccc1Cl ### Response: COc1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc(OC)c1
functional_group
### Instruction: Does the molecule contain a amide group? NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCc1cc(NCc2cc(F)cc3cccnc23)n(C)n1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(OCC)c1c(C)c([nH]c1C)C(=O)CSc1nnc2cc(c3c(cccc3)n21)C ### Response: CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3cc(C)c4ccccc4n23)c1C
functional_group
### Instruction: Does the molecule contain a hydroxyl group? O=C(NCCNC(=O)c1ccco1)Nc1cnn(C[C@@H]2CCCO2)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccc(N)c(OC)n1 Fragment 2: [16*]c1cccc(Br)c1 ### Response: COc1nc(Oc2cccc(Br)c2)ccc1N
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccncc1 Fragment 2: [1*]C(=O)C(C)(C)C ### Response: C[C@@H](NC(=O)C(C)(C)C)c1ccncc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(/C=C\C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]c2ccccc12 ### Response: 5
canonicalization
### Instruction: Canonicalize the following SMILES string. C(NC(=O)[C@H]1Cc2c(sc(C(N(C)C)=O)c2)CC1)Cc1ccccc1 ### Response: CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)NCCc1ccccc1)C2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC(C)(CC)CC Fragment 2: [1*]C(=O)c1cnc2sc(C)cn2c1=O ### Response: CCC(C)(CC)NC(=O)c1cnc2sc(C)cn2c1=O