task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CC[C@H]1c1ccc(F)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH+](CCNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)Cc1ccccc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(CCNC(=O)c1ccc(O)c(Cl)c1)Nc1ccncc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1F ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C1S(=O)(CC[C@@H]1NC(COc1ccc(Br)cc1)=O)=O ### Response: O=C(COc1ccc(Br)cc1)N[C@H]1CCS(=O)(=O)C1
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1n[nH]cc1NC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC(=O)Nc1c(C)cc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1C ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@@H](C)C1CC1 Fragment 2: [5*]N(C)[C@H]([8*])C ### Response: C[C@@H](C1CC1)N(C)C(=O)NCC(=O)N1CCCCC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC[C@](O)(CCN1CCOCC1)c1ccc(OC)cc1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c12cc(cc(c2sc(N(Cc2cccnc2)C(c2cc(oc2C)C)=O)n1)C)C ### Response: Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3cc(C)oc3C)nc2c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccccc1NC(=O)[C@H](C)Sc1nncs1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)ccc1O ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c12c(oc(cc1=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c(C)ccc2 ### Response: Cc1cccc2c(=O)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)oc12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? OCc1ncoc1C[C@H]1CCCO1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? CCC(=O)Oc1ccc2c(C)c(C[C@H](C)O)c(=O)oc2c1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 Fragment 2: [4*]CCCC ### Response: CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cn1ncc2c1CCC[C@@H]2[NH+](C)Cc1c(Cl)nc2sccn12 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(N2CCN(C(c3occc3)=O)CC2)ccc(NC(=O)c2c(cc3c(c2)cccc3)OC)cc1 ### Response: COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(O)cc1 Fragment 2: [7*]Cc1cc(C)n([9*])c1C ### Response: Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C[C@@]1(C[NH3+])CCC[C@@H](CC)C1 Fragment 2: [14*]c1nc(C)c(C)s1 ### Response: CC[C@@H]1CCC[C@](C[NH3+])(Cc2nc(C)c(C)s2)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCOc1ccc(C[NH+](C)C(C)(C)CO)c(O)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(C)cc2)ccc1=O ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1noc(C)c1CN(C)C(=O)[C@@H]1CC[C@@H](C[NH3+])O1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(c1ccc(F)c(COC)c1)(=O)[O-] ### Response: COCc1cc(C(=O)[O-])ccc1F
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccc(F)cc1[16*] Fragment 2: [3*]Oc1ccc(F)cc1N[5*] ### Response: O=C(Nc1cc(F)ccc1Oc1ccccc1)N1CCCC[C@H]1CO
functional_group
### Instruction: Does the molecule contain a thiol group? COCC(=O)N1CCCN(Cc2cnc(-c3ccccn3)nc2)CC1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@@H]1CCCO1 Fragment 2: [1*]C(=O)C[8*] ### Response: O=C(C[C@@H]1CCCO1)OCc1ccc(-n2ccnc2)nc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN(CC(=O)NC[C@H]1C[C@@]12CCc1ccccc12)S(C)(=O)=O ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CC(C)C Fragment 2: [8*]CCC ### Response: CCC[C@H]1C(=N)NC(=O)N1CC(C)C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [15*][C@H]1C[C@@]2(O)NC(=O)[C@](C#N)([C@@H]2C)C1(C#N)C#N ### Response: C[C@@H]1[C@@]2(O)C[C@H](c3ccccc3)C(C#N)(C#N)[C@]1(C#N)C(=O)N2
canonicalization
### Instruction: Canonicalize the following SMILES string. N(C(c1c(cccc1)Cl)=O)CCNc1ncc(c(n1)N)[N+](=O)[O-] ### Response: Nc1nc(NCCNC(=O)c2ccccc2Cl)ncc1[N+](=O)[O-]
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? CC(C)[C@H]1c2cccn2CCN1C(=O)Nc1ccccc1Cl ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)c1nc2cccnc2n1C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a aldehyde group? COC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@@H](CCCNC1=O)[NH+](CC1CC[NH2+]CC1)C1CC1 ### Response: O=C1C[C@H]([NH+](CC2CC[NH2+]CC2)C2CC2)CCCN1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(Cl)ccc(cc1)OCC(O[C@H]1C(OCC1)=O)=O ### Response: O=C(COc1ccc(Cl)cc1)O[C@@H]1CCOC1=O
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cc(C=O)ccc4OC)CC3)c2c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1c(C)cccc1C Fragment 2: [7*]Cc1cc(C)n([9*])c1C ### Response: CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)Nc1c(C)cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccsc1 Fragment 2: [5*]N1CCN([5*])CC1 ### Response: Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)no1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COc1ccc2ncc(C#N)c(Nc3ccc(C)c(C)c3)c2c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@@H]1CCCC[C@@H]1OCC(=O)NCC(C1CC1)C1CC1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a ether group? C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCS[C@H]2CCCC[C@@H]21 Fragment 2: [4*]Cc1cc(C#N)cs1 ### Response: N#Cc1csc(CN2CCS[C@H]3CCCC[C@@H]32)c1
functional_group
### Instruction: Does the molecule contain a amine group? O[C@@H]1c2cc(Br)ccc2-c2c(F)cc(Br)cc21 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(NC(=O)C(=O)N[C@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(C)c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. S(c1cc(C)c(N)cn1)Cc1ccccc1 ### Response: Cc1cc(SCc2ccccc2)ncc1N
functional_group
### Instruction: Does the molecule contain a amine group? O=C(O[C@@H]1CCOC1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCCC Fragment 2: [7*]Cc1ccc(F)cc1 ### Response: CCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1
functional_group
### Instruction: Does the molecule contain a amine group? CCc1ccc([C@H](C)C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1cn(C)nc1C ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc2c1OC[C@@H](NC(=O)N1CCC3(CC1)OCCO3)C2 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(C2=NO[C@@H]([C@H]3C=C(c4ccc(F)cc4)N=N3)N2)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(N)c(OC)n1 Fragment 2: [4*]CCCC ### Response: CCCCNc1ccc(N)c(OC)n1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1N(CCO[C@@H]1c1noc(n1)C1(C(OC)=O)CC1)CCC ### Response: CCCN1CCO[C@H](c2noc(C3(C(=O)OC)CC3)n2)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(oc(C)c1C)C[NH+](C)[C@@H]1CN(CCC1)Cc1nc(CC)on1 ### Response: CCc1nc(CN2CCC[C@H]([NH+](C)Cc3nc(C)c(C)o3)C2)no1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@](O)(C(=O)[O-])[C@H]1CCCc2ccccc21 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [1*]C(=O)C1=C(C)N=C(C)[C@H]1S(=O)(=O)[N-][5*] ### Response: CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1C(C)=NC(C)=C1C(=O)N1CCCCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(ccc(C(C)(C)NC(=O)C2CCN(CC2)C(=O)c2ccoc2)cc1)CC ### Response: CCc1ccc(C(C)(C)NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C([NH+](CC)C[C@@H](CC)C)c1ccc(C[NH3+])o1 ### Response: CC[C@@H](C)C[NH+](CC)Cc1ccc(C[NH3+])o1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)Nc1nccs1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=c1c(C[NH+]2CCC[C@H]2c2nc(-c3ccccn3)no2)coc2ccccc12 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(F)c(CCNC(C(=O)Nc2ccc(C)cc2C)=O)c1 ### Response: Cc1ccc(NC(=O)C(=O)NCCc2ccccc2F)c(C)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCCS(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(C)=O Fragment 2: [1*]C(=O)c1cccn1C ### Response: CC(=O)c1sc(NC(=O)c2cccn2C)nc1-c1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cccc(F)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? Cc1cccc(N(CCC#N)C(=O)Cc2cccnc2)c1C ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C(NCCOCCC(C)C)(N1CCN(CC1)CC#C)=O ### Response: C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1
functional_group
### Instruction: Does the molecule contain a nitrile group? CN(CC(=O)OC1CCN(CC(F)(F)F)CC1)C(=O)c1ccccc1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. Clc1cc([C@@H](Nc2[nH+]c(C)ccc2)C)c(O)cc1 ### Response: Cc1cccc(N[C@@H](C)c2cc(Cl)ccc2O)[nH+]1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(NCC1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitro group? CC(C)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)CCC1=O ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Cc1ccccc1O)N1CCCC[C@H]1C1OCCO1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [5*]Nc1cccc2ncccc12 ### Response: Cc1ccc(NC(=O)CSCC(=O)Nc2cccc3ncccc23)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. COC([C@H]1[C@@H](CC2=C([C@H](CC(=O)N2)c2ccc(cc2Cl)Cl)C1=O)C)=O ### Response: COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H]1[C@H](C(=O)[O-])CC[NH+]1Cc1ccc(Br)cc1F ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCC Fragment 2: [3*]OCC ### Response: CCC[NH2+][C@@H](COCC)[C@@H]1CCO[C@]2(CCOC2)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@H](C)C(=O)Nc1cc(Br)ccc1I ### Response: 4
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COCC[NH2+]Cc1ncoc1-c1ccc(C)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc(-n2nc3c(c2NC(=O)C(C)C)C[S@@](=O)C3)cc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc([C@H](C)CC)c(c1)NC([C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-])=O ### Response: CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
functional_group
### Instruction: Does the molecule contain a aldehyde group? C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)Nc1ccc(Cl)cn1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C#CCCO)ccc1OCc1ccc(O)cc1 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]Cc1ccccc1 Fragment 2: [16*]c1ccccc1 ### Response: COCCn1nc(C)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1CO ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CC[C@@H]1CCCO1)CCC(F)(F)F ### Response: 6
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]O[C@@H]([8*])CC#C Fragment 2: [14*]c1ccc(C)o1 ### Response: C#CC[C@@H](OC(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccn1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@H]([C@H](C#N)c2ccccc2)N(C(CCCN(C)C(OC)=O)=O)CC1 ### Response: COC(=O)N(C)CCCC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1
functional_group
### Instruction: Does the molecule contain a ether group? CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CC)ccc21 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? [NH3+][C@@H]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCc1ccc(S(=O)(=O)NCC#CCOc2cccc3cccnc23)cc1 ### Response: 4
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CC1 Fragment 2: [14*]c1ccco1 ### Response: C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(C(=O)/C=C\c1ccc(OCC#N)cc1)C1CCCCCC1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCC[C@H](NC(=O)C(=O)Nc1cc(C)cc2cccnc12)C1CCC1 ### Response: 2