task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)c1ccc([S-])c([N+](=O)[O-])c1-c1ccccn1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1cc(OC)c(NC(=O)CSc2ccccc2C)cc1F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COC(=O)c1ccc(COc2ccc([C@@H]3C(C#N)=C(N)O[C@@H]4N=NC(C)=C34)cc2OC)o1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C(=O)N1CCC[C@H](NC([C@@H](C)Cc2c(n[nH]c2C)C)=O)C1)C
### Response:
COC(=O)N1CCC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCC[C@@](C(=O)c2ccc(F)c(F)c2F)([NH+](C)C)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C#CCN1CCC(CC1)C(=O)N[C@H]1CCCc2ccc(F)cc21
### Response:
C#CCN1CCC(C(=O)N[C@H]2CCCc3ccc(F)cc32)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC1([NH3+])CC(NCCCO)=O
### Response:
[NH3+]C1(CC(=O)NCCCO)CCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [15*][C@]1(C#N)CC[C@H](CC)C1
### Response:
CC[C@H]1CC[C@@](C#N)([C@H](O)C2CC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1N[5*]
Fragment 2: [4*]Cc1ccccc1[16*]
### Response:
CC(C)CCCNC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@]1(CO)CCC[NH2+]C1
Fragment 2: [8*]C[C@H]1COc2ccccc21
### Response:
OC[C@]1(C[C@H]2COc3ccccc32)CCC[NH2+]C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nnc(Br)s1
Fragment 2: [3*]OCC
### Response:
CCOCCCc1nnc(Br)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1F
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
NC(=O)c1ccc(NC2CCCCCCC2)c(N)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CNC(=O)c1cn[nH]c1[C@]1(C)CCCN(C(=O)Cn2cccn2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@]12(CC[C@H](C1(C)C)C[C@H]2OC(=O)CSc1nc2ccccc2o1)C
### Response:
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CSc1nc3ccccc3o1)C2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [1*]C(=O)c1cccc(S([12*])(=O)=O)c1
### Response:
CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc(OC)c1OC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(NC(=O)NCC[NH+](C)C)(CC(=O)[O-])CCC1
### Response:
C[NH+](C)CCNC(=O)NC1(CC(=O)[O-])CCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccnc([14*])c1
Fragment 2: [4*]Cc1cccnc1
### Response:
O=C(NCc1cccnc1)NCc1ccnc(OCC(F)F)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc2ccccc2c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cccc(C#N)c2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cn1nc(cc1)NC(=O)C(N1Cc2ccccc2CC1)=O
### Response:
Cn1ccc(NC(=O)C(=O)N2CCc3ccccc3C2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(C#N)ccc1Cl
Fragment 2: [1*]C(=O)[C@H](C)O[3*]
### Response:
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C#N)ccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)cccc(c1OCc1onc(c1)C(N[C@@H](c1c(Cl)cccc1)C)=O)F
### Response:
C[C@@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-c2nn(c(N)n2)S(=O)(C)=O)ccc1OC
### Response:
COc1ccc(-c2nc(N)n(S(C)(=O)=O)n2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C(=O)N(C2CCCC2)C2CC2)sc2nc(C(F)(F)F)ccc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NC(=O)COC(=O)c2oc(C)cc2C)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C
Fragment 2: [1*]C(=O)C1=C(CCC)OC(N)=C(C#N)[C@H]1[15*]
### Response:
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C(C#N)=C(N)O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(=O)/C=C(\C)c2ccc(OC)cc2)[C@@H](CCO)CCC1
### Response:
COc1ccc(/C(C)=C/C(=O)N2CCCC[C@@H]2CCO)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(cc(c(c1)NC(c1ccc(cc1)SC(F)F)=O)C(N)=O)F)C
### Response:
Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)c(C(N)=O)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1C)C)SCC[C@H]1[C@@](CCC1)(C(=O)OC)N
### Response:
COC(=O)[C@]1(N)CCC[C@H]1CCSc1ccc(C)c(C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1ncnc1NC(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1OC
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[NH2+][C@@H](C(=O)[O-])c1c[nH]c2ccc(Br)cc12
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCN(C2CC2)C1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(CSc1nnc(C2CC2)s1)N[C@@H](c1ccccc1)C1CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1ncc2c(C(=O)N3C[C@H]4CCC[C@H]4C3)cc(C3CC3)nc21
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnsc1C(=O)N1CCC[C@@H]([C@@H]2CC(=O)c3cc(F)ccc3O2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CCC(=O)Nc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#Cc1ccc(-c2noc(CNC(=O)CC3CCCCC3)n2)nc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1NC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(CCn1ccnc1)N[C@H]1C=C[C@@H](C(=O)[O-])C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)cc(Cl)c1OCC(N)=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)c1nc(-c2ccccc2)no1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(oc(c1)C(OCCn1c([N+]([O-])=O)cnc1C)=O)CC
### Response:
CCc1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)o1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1ccc(Oc2cc(C[NH3+])ccn2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(OCc1ccccn1)c1ccc(-n2cncn2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)n[nH]c1C
Fragment 2: [5*]NS(=O)(=O)c1cccc(CC)c1
### Response:
CCc1cccc(S(=O)(=O)Nc2c(C)n[nH]c2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1=C(C)Nc2nc([14*])nn2[C@@H]1c1cccc(OC)c1OC
Fragment 2: [5*]Nc1cccnc1
### Response:
COc1ccccc1-c1nc2n(n1)[C@H](c1cccc(OC)c1OC)C(C(=O)Nc1cccnc1)=C(C)N2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(C)Sc1nnc(NC(=O)C(F)(F)F)s1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N2C(=O)N=C([O-])/C(=C\c3c(O)ccc4ccccc34)C2=O)cc1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC1CCC(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1[N+](=O)[O-]
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1C[C@H]1[15*]
Fragment 2: [5*]Nc1ncc([16*])cc1Cl
### Response:
NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]c1cccc(N[5*])c1
Fragment 2: [12*]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
### Response:
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1noc(C)c1C(=O)Nc1ccc2ccccc2c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCc1ccc(OC)cc1
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@]12C[C@H](NC(=S)N1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O2
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]S[C@H](C)/C([O-])=N/c1nc([14*])n[nH]1
Fragment 2: [4*]Cc1ccccc1
### Response:
C[C@@H](SCc1ccccc1)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cn1ccc(CNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])n1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](=O)c1c(C)ccc([C@@H](C)[NH2+]C2CCC(NS(C)(=O)=O)CC2)c1
### Response:
Cc1ccc([C@@H](C)[NH2+]C2CCC(NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC(C)C
Fragment 2: [12*]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
### Response:
CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(S(=O)(N(C)Cc2cc(ccc2)OC)=O)ccc1C(C)C
### Response:
COc1cccc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N[C@@](C)(C#N)C(C)C
### Response:
CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2n1CCCCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(N[C@@H](C)C(NCC(C)C)=O)c(C)c(Cl)c1
### Response:
Cc1c(Cl)cccc1N[C@@H](C)C(=O)NCC(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(cc(c1)C)OC)OC([C@H](NC(=O)c1ccoc1)C)=O
### Response:
COc1cc(C)ccc1OC(=O)[C@@H](C)NC(=O)c1ccoc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)c1ccc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-]
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c2c(nc(C)c1CC(=O)Nc1c3c(cccc3)cnc1)[nH]n(c2=O)C)C
### Response:
Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)Nc1cncc2ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]([5*])Cc1cnn2c1NCCC2
Fragment 2: [4*]C(CC)CC
### Response:
CCC(CC)[NH+](Cc1cnn2c1NCCC2)CC(C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CN([C@@H](C[NH3+])c2cncn2C)C[C@@H]1C
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)c([N+](=O)[O-])c1)n2CCOC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CO[C@H]([C@H]1[C@H]([NH2+]C)c1cc(OC)c(cc1)OC)C
### Response:
C[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1CCO[C@H]1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCO1)c1cccn[nH+]1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [1*]C(=O)N1CCC([15*])CC1
### Response:
Cc1nc(C2CCN(C(=O)NCc3cccc(N(C)C)c3)CC2)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+](C(C)C)CCS(=O)(=O)NCC1C(C)(C1(C)C)C
### Response:
CC(C)[NH2+]CCS(=O)(=O)NCC1C(C)(C)C1(C)C |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C1CC[C@@H](C(=O)N[C@H]2CCSc3c(F)cccc32)O1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c(=O)[nH]1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(c(cc1)O)NC(=O)C[C@H](c1cc(ccc1)F)O)F
### Response:
O=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(F)ccc1O |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCc1nn(C)cc1NC(=O)N[C@@H](CC)[C@@H]1CCCO1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1nc(N)sc1C(=O)N[C@H](C)CCCO
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1csc(C)n1
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1nc(CC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CN(CC1CCCC1)C(=O)C(=O)Nc1cccc(SC(F)F)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[8*]
Fragment 2: [1*]C(=O)N1CCC(O[3*])CC1
### Response:
CCS[C@H]1CC[C@@H](NC(=O)N2CCC(OCCc3ccccc3)CC2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2Cl)NC(=S)N1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [1*]C(=O)c1ccco1
### Response:
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccco2)[C@@H](O)[C@H]1O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH2+][C@@H](C1CC1)[C@@]1(C)CCCO1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1
Fragment 2: [13*]C1SCCCS1
### Response:
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C3SCCCS3)c2)cc1[N+](=O)[O-] |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc(Cl)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C#N)cccc1OC[C@H](O)C[NH2+]C1COC1
### Response:
N#Cc1cccc(OC[C@H](O)C[NH2+]C2COC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(CC)c2ccccc2)s1
### Response:
3 |
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