task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc(Nc2ccccc2C(=O)NC2=NCCS2)c1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1CC1 Fragment 2: [8*]Cc1noc([14*])n1 ### Response: Cc1ccccc1Cc1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? C[C@H]1CCN(C(=O)NCc2noc(C(C)(C)C)n2)C[C@H]1O ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1nc2ccccc2n2cnnc12 Fragment 2: [14*]c1nc2ccccc2n2cnnc12 ### Response: Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nn2c(C)nnc2s1 Fragment 2: [1*]C(=O)C[8*] ### Response: Cc1nnc2sc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)nn12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(C(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1C#N ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@H]1CCCO1 Fragment 2: [1*]C(=O)[C@H]([4*])C ### Response: Cc1csc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1c2c(ccc(c2)S(=O)(N[C@H]2C[C@H]3c4c2cccc4CCC3)=O)NC(=O)C1 ### Response: O=C1CCc2cc(S(=O)(=O)N[C@H]3C[C@@H]4CCCc5cccc3c54)ccc2N1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NC1CCCCCC1)[C@@H]1CSc2nccc(=O)n2C1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CCCCC1 Fragment 2: [5*]Nc1ccc(C)c(C)c1 ### Response: C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CCCCC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(N)[n+]3Cc3ccncc3)c(=O)n2c1 ### Response: 5
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1NS(C)(=O)=O ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C(=O)(N1CCN(Cc2cc(cc(c2)OC)OC)CC1)/C(=C/C)C ### Response: C/C=C(\C)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCCS[11*] Fragment 2: [5*]N(C)[C@H]([8*])C ### Response: C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCSCC(C)(C)O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccsc1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. n1n(cc(NC(=O)c2cc(nc3n(C(C)C)nc(C)c23)C)c1)CC ### Response: CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)cn1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)c1cc(Sc2ccc(O)cc2)ccc1[N+](=O)[O-] ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CSc1nc([O-])c(C(=O)/N=c2\[nH]nc3cc(C)ccn23)cc1C#N ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(C(=O)NCC(=O)N(Cc2ccc(F)cc2F)C)cc2ccccc2[nH]1 ### Response: CN(Cc1ccc(F)cc1F)C(=O)CNC(=O)c1cc2ccccc2[nH]1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a ether group? CC[C@H](C)[C@H]1OCCC[C@H]1C(=O)[O-] ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1Cl ### Response: 4
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(C)c(cc(c(c1)NC(=O)C[NH+]1CCC(CC1)C(NC)=O)OC)Cl ### Response: CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C)c(Cl)cc2OC)CC1
functional_group
### Instruction: Does the molecule contain a nitrile group? N#CCSc1cccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1Oc2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2NC1=O ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a hydroxyl group? COC(=O)[C@@H](O)[C@]1(C[NH3+])CCC[C@H](C)C1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)CCC1=O ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(CN[C@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)NC1CC1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCc1cn(C)nc1[14*] Fragment 2: [4*]Cc1ccccc1[16*] ### Response: Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2cccnc2)n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC1(C)C[NH+](CCCCC#N)C1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CN(C2CC[NH+](Cc3cnc(N4CCOCC4)nc3)CC2)C[C@@H](C)O1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H](C)O)CC1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)Cc1ccco1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)sc1C(=O)[O-] ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)(C)c1ccc(C(=O)N[C@H]2CCN3CCCc4cccc2c43)cc1 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1c(F)cccc1F Fragment 2: [5*]N[C@@H]1CC[NH2+]C[C@@H]1C ### Response: C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1c(F)cccc1F
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1cc(CN2CCS[C@H]3COCC[C@@H]32)cn1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ether group? COCCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2ccccc21 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(/C=C/c1ccsc1)NCc1coc(-c2cccs2)n1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(NCCC1=c2ccccc2=[NH+]C1)Nc1nc2ccccc2s1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccs1 Fragment 2: [5*]N[C@@H]([8*])CC(=O)[O-] ### Response: O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC(N)=O)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? NC(=O)c1cccc(CNc2ccc(OC(F)(F)F)cc2)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ketone group? CN[C@]1(C#N)CCC[C@H]1CCOc1ccc2c(c1)OCO2 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CN[5*] Fragment 2: [1*]C(=O)C1CC1 ### Response: CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CNC(=O)C2CC2)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc2C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CN(C(c2cc(C)n(n2)-c2ccc(cc2)OC)=O)C[C@@H]1[NH+](CC)CC ### Response: CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)n2)C1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1csc(C[C@H](C)N(C)C(=O)C[NH2+]CCC)c1 ### Response: CCC[NH2+]CC(=O)N(C)[C@@H](C)Cc1cccs1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CC=C(c2ccccc2)CC1 Fragment 2: [1*]C(=O)C[8*] ### Response: O=C(C[C@H]1C[NH2+]CCO1)N1CC=C(c2ccccc2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [12*]S(=O)(=O)c1ccc2c([O-])n[nH]c(=O)c2c1 Fragment 2: [5*]N1c2ccccc2C[C@H]1C ### Response: C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c([O-])n[nH]c(=O)c2c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCC Fragment 2: [5*]N([5*])CC ### Response: CCCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])o1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CS[C@H](C)C(=O)Oc1ccc(OCC2CC2)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a carboxyl group? Cc1nn(CC(C)C)c(Cl)c1CN1CCOC[C@H]1C#N ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCn1nc(C)c(CN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)c1C ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC1CC1 Fragment 2: [11*]Sc1nc(C)cs1 ### Response: Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1
functional_group
### Instruction: Does the molecule contain a ketone group? Cc1c(NP(=O)(C(C)(C)C)C(C)(C)C)c(=O)n(-c2ccccc2)n1C ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOC(=O)[C@H]1CCCC[NH+]1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1OC ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)OC[C@H](O)C[NH+]1CCC[C@H](C(F)(F)F)C1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CC[8*] Fragment 2: [16*]c1c(C)[nH]c(=O)[nH]c1=O ### Response: Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccnc1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(CC1CCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@H]3C)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ### Response: 4
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)CCC2 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C([C@@H]1CCC=CC1)NC(Nc1c(cccc1F)Br)=O ### Response: O=C(NC[C@H]1CC=CCC1)Nc1c(F)cccc1Br
functional_group
### Instruction: Does the molecule contain a amine group? Cc1ccc(NC(=O)CCNC(=O)c2cccc3cc[nH]c23)c(Cl)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(N)nc(c(c1)-c1cc(OC)ccc1)[C@H]1CCCCN1C(Cc1c2ccccc2[nH]c1)=O ### Response: COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c1
functional_group
### Instruction: Does the molecule contain a amine group? Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCN(C(=O)C4CC4)C3)c2)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1Cl ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COC(=O)c1nn(CC(C)(C)O)c2c1CCCC2 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nc2ccccc2[nH]1 Fragment 2: [16*]c1ccc(C=O)cc1[N+](=O)[O-] ### Response: O=Cc1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1
canonicalization
### Instruction: Canonicalize the following SMILES string. Cc1c(C(C2=C([O-])C(=O)N(CCOC)[C@@H]2c2cnccc2)=O)ccc(OC)c1 ### Response: COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(c1c(C)cccc1)S(C[C@@H](CC)C)(=O)=O ### Response: CC[C@@H](C)CS(=O)(=O)Cc1ccccc1C
canonicalization
### Instruction: Canonicalize the following SMILES string. c1nccc(c1)-c1noc(CCC(=O)N(C)[C@@H](C)Cc2cccs2)n1 ### Response: C[C@@H](Cc1cccs1)N(C)C(=O)CCc1nc(-c2ccncc2)no1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(cccc1NC(C)=O)C(=O)OCC(Nc1cc2c(cc1)[nH]c([nH]2)=O)=O ### Response: CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nc[nH]n1 Fragment 2: [1*]C(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ### Response: C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(-c3nc[nH]n3)c2)NC1=O
functional_group
### Instruction: Does the molecule contain a amide group? O=C1CCN(CCOC(=O)Cc2ccccc2)c2ccc(F)cc2N1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1cccc2c(=O)n([9*])ccc12 Fragment 2: [5*]Nc1cccc(F)c1 ### Response: C=CCn1ccc2c(OCC(=O)Nc3cccc(F)c3)cccc2c1=O
functional_group
### Instruction: Does the molecule contain a nitro group? Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1COc2ccccc2O1 ### Response: No
functional_group
### Instruction: Does the molecule contain a phenol group? Cc1ccc(NC(=O)NCCNc2ccc(C)nn2)c(Cl)c1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCc2cc(N)ccc21 ### Response: 3
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)CC(C)(C)C ### Response: Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1
canonicalization
### Instruction: Canonicalize the following SMILES string. s1cc(cc1)NC(NCc1ccc(N2CC[NH+](CC2)CC2CC2)cc1)=O ### Response: O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1ccsc1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(NC(=O)c2cc(C#N)cn2C)c(cc1)C(C)=O ### Response: CC(=O)c1ccccc1NC(=O)c1cc(C#N)cn1C
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccncc2)ccc1Cl ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1C(F)(F)F)C2 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc[nH]2)cc1OC ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(cccc(c1)CO[C@@H]1CC[C@@H]([NH3+])C1)[N+]([O-])=O ### Response: [NH3+][C@@H]1CC[C@@H](OCc2cccc([N+](=O)[O-])c2)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C1/C(COc2c1cc1OCOc1c2)=C/c1cc(Cl)ccc1 ### Response: O=C1/C(=C/c2cccc(Cl)c2)COc2cc3c(cc21)OCO3
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1 ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)[C@@H]1CC12CCOCC2 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)CCO)C1 ### Response: 4
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN1CCO[C@@H](CNc2cc(Cl)ccc2Cl)C1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCS(=O)(=O)c1ccc2oc(=S)n(C[NH+]3CCC[C@H](C)C3)c2c1 ### Response: 1