task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@](C)(C(=O)Cc1cccc(F)c1)N1CCOCC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C)c2ccc(OC[C@@H](O)CNc3cccc[nH+]3)cc2oc1=O
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1ccc(/C=C/C(=O)OCC)cc1)N[C@@H](C)[C@@H]1OCCC1
### Response:
CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1c(ccc(S(=O)(N(C)C(C)C)=O)c1)C)CC1CCCC1
### Response:
Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)CC1CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cncc(c1N/N=C(/C([O-])=O)C)[N+](=O)[O-]
### Response:
C/C(=N\Nc1ccncc1[N+](=O)[O-])C(=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1cc(c(CC(=O)NC[C@@H](C([O-])=O)C)cc1)F
### Response:
C[C@@H](CNC(=O)Cc1ccc(F)cc1F)C(=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@@H](C)N(C)C(=O)CCn1cnc2c(C)cccc2c1=O
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSCC[C@@H]([NH3+])c1nc2ccc(Cl)cc2s1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [4*]Cc1cc(OC)nc2ccccc12
### Response:
COc1cc(CNC(=O)N(C)Cc2ncnn2C)c2ccccc2n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[NH+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H](C)CC#C
Fragment 2: [14*]c1nc2nc(C)cc(C)n2n1
### Response:
C#CC[C@H](C)OC(=O)Cc1nc2nc(C)cc(C)n2n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [6*]C(=O)NNC(=O)CC[8*]
### Response:
O=C(CCc1ccccc1)NNC(=O)c1nc(C2CC2)n2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(F)c1C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
c1csc(-c2noc([C@H]3CC[NH+](CC4CCCCC4)C3)n2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1cc(C)c([C@@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1cccc(C)c1NC(=O)CCCN1CCOC[C@@H]1C1CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(CN2CCN(C(=S)N[C@@H](C34CC5CC(CC(C3)C5)C4)C)CC2)cc2c(OCO2)c1
### Response:
C[C@@H](NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1)C12CC3CC(CC(C3)C1)C2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)s1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)N1CCCC1=O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(=O)[nH]c(ncc1S(=O)(N(Cc1ccccc1)Cc1ccccc1)=O)[O-]
### Response:
O=c1[nH]c([O-])ncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@H](C)c1cccc(Oc2ccc3ccccc3c2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1cc(C2OCCCO2)ccc1F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1nc([14*])no1
Fragment 2: [16*]c1cccc(OC)c1
### Response:
COc1cccc(-c2noc([C@@H](C)NC(=O)NCC3([O-])CCC3)n2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)NCC(NCc2ccco2)=O)c(c(C)c(cc1)C)O
### Response:
Cc1ccc(C(=O)NCC(=O)NCc2ccco2)c(O)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1nc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccccc2c1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COc1cccc(CN2C[C@@H](C(=O)N(C)Cc3cccc4cnccc34)CCC2=O)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC1CCC(N2Cc3ccccc3C[C@H]2c2nnc(C)o2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(=O)c2[nH]c(/N=N/Nc3ccccc3)nc2n(C)c1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2n[nH]c(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1)c(=O)n(C)c(=O)n2C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@H]2N=C(CS[C@@H]3N=NC(=O)c4cc(-c5cccs5)nn43)[C@H](C)O2)c(OC)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+](C)CC[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1[nH]ncc1[16*]
Fragment 2: [5*]N1CCC[C@@H]([15*])C1
### Response:
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCNC(N)=O)C2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1cc(c(C)cc1)OCC)N[C@H]1CCC[C@H](C1)[S@](CC)=O
### Response:
CCOc1cc(NC(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)ccc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(Cl)ccc2OC)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCC[C@H](CCNC(=O)CN2CCCOC2=O)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n12c(cc(nc2c(cn1)C(N(C)OC)=O)C)C
### Response:
CON(C)C(=O)c1cnn2c(C)cc(C)nc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(C2[C@@H](c3ccccc3)n3c(c(C(=O)N)cn3)NC=2C1)=O
### Response:
NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cn2c(c(C(N3C[C@@H]([NH+](C)C)[C@@H](C3)C)=O)n1)ncc2
### Response:
C[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1[NH+](C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ncc2ccccc2c1=O
Fragment 2: [1*]C(=O)C[8*]
### Response:
C=CCNC(=O)c1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1[nH]nc(-c2sccc2)c1C[NH+]1CCC[C@@H]1C[C@H](O)c1ccco1
### Response:
O[C@@H](C[C@H]1CCC[NH+]1Cc1c[nH]nc1-c1cccs1)c1ccco1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)[C@@](C(F)(F)F)(O)CNC(CCc1ccccc1)=O
### Response:
O=C(CCc1ccccc1)NC[C@](O)(c1ccccc1)C(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H](c1ccco1)N(C)C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(O[C@H](C)CNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](CO)C(C)C
Fragment 2: [5*][NH2+][C@@H]1CCC[NH+](C)CC1
### Response:
CC(C)[C@@H](CO)[NH2+][C@@H]1CCC[NH+](C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@@H]1CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](c2ccc(F)cc2)O1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C)c(NC(=O)[C@@H]2CCO[C@@H]2C)cc1OC
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)c1ccc(C(=O)N[C@H]2CCN3CCCc4cccc2c43)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CN[C@H](c2cccc(C3CC3)c2)S1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-c2nc(no2)-c2ccc(C)cc2)c2n(c1)c(n(CC(=O)Nc1cc(Cl)ccc1OC)n2)=O
### Response:
COc1ccc(Cl)cc1NC(=O)Cn1nc2c(-c3nc(-c4ccc(C)cc4)no3)cccn2c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)CC2=O)cc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCSc3c(F)cccc32)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2ccccc2C1=O
Fragment 2: [4*][C@H](C)c1ccc(F)cn1
### Response:
C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cn1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@@H]1C[C@]2(C[NH+]=C(N)N2c2ccc(Cl)cc2)CS1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)N(C)C3CCCCC3)C2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1(O)CCCC1
Fragment 2: [5*]N(C)C1CCCCC1
### Response:
CN(C(=O)c1ccc(NC(=O)CC2(O)CCCC2)cc1)C1CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(CCl)nc2c(CC)nn(C)c21
Fragment 2: [15*]C1CCC(CC)CC1
### Response:
CCc1nn(C)c2c1nc(CCl)n2C1CCC(CC)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1[13*]
Fragment 2: [14*]c1ccco1
### Response:
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)O[C@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(F)cc2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)C1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)Sc1ccccc1C(=O)NNc1cc(C#N)cc(Cl)n1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
s1c([S-])nnc1[N-]S(=O)(=O)c1cc(ccc1)N
### Response:
Nc1cccc(S(=O)(=O)[N-]c2nnc([S-])s2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CC(C)(N(C(=O)[C@H]2CN(C(=O)COc3ccccc3)CCC2)C[C@H]1C)C
### Response:
C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C(C)(C)CO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(F)cc3)[nH]n2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([16*])c(C)c1
Fragment 2: [3*]OC(F)F
### Response:
COc1ccc(CNC(=O)Nc2ccc(N(C)C)c(C)c2)cc1OC(F)F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc2occ(c1=O)CN(Cc1ccncc1)C1CC(C)([NH2+]C(C)(C)C1)C
### Response:
CC1(C)CC(N(Cc2ccncc2)Cc2coc3ccccc3c2=O)CC(C)(C)[NH2+]1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@H](Cc1ccccc1)[NH2+]Cc1nncn1C1CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)c(ccc(c1)C)NC(C[NH+]1C[C@H](C)S[C@@H](C)C1)=O
### Response:
Cc1ccc(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nc(C)sc1C(=O)N1C[C@H](CO)[C@H](C[NH+](C)CCO)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1[C@@]1(C(N2)=O)SCC(N1CC(=O)OCC)=O
### Response:
CCOC(=O)CN1C(=O)CS[C@@]12C(=O)Nc1ccccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+](CC(C)(C[C@@H](O)C)C)[C@@H](C)c1sc(nc1C)-c1c(F)cccc1
### Response:
Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)C1(Nc2ccccc2)CC[NH2+]CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(CCN(C(C(=O)Nc2c(F)ccc(c2)Cl)=O)CC1)C
### Response:
CC1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2F)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])[C@H](F)[C@H](O)c1cccc(Oc2ccccc2)c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
FC(F)(F)[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc2ccc(NC(=O)CSC2N=C([O-])[C@H](C(OC)=O)[C@H](C=2C#N)c2ccc(C)cc2)c1
### Response:
COC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2nc(oc2cc(C(N(C)Cc2ncccc2C)=O)c1)Cc1ccccc1F
### Response:
Cc1cccnc1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1CC1
Fragment 2: [1*]C(=O)c1cnc(NC)c(Cl)c1
### Response:
CNc1ncc(C(=O)NCCC(=O)NC2CC2)cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1C/C(=N/NC(=O)c1c([nH]c([nH]c1)=O)=O)C
### Response:
C/C(Cc1ccccc1)=N\NC(=O)c1c[nH]c(=O)[nH]c1=O |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1CCC[C@@]([NH3+])([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CN(c2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)C[C@H](C)O1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]C[C@@H]1CCCCN1c1nc2c([N+](=O)[O-])cccc2o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1cc(C(=O)N(C)C2CCCCC2)c2cnn(-c3ccccc3F)c2n1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(c1cccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CC[NH+](C2CCCCC2)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]1CC[NH2+]C1
Fragment 2: [5*]N(C)S(=O)(=O)c1ccc(Br)s1
### Response:
CN(C[C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OCC[NH+](C)C)c(c(OC(C)C)ncn1)N
### Response:
CC(C)Oc1ncnc(OCC[NH+](C)C)c1N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H](C)NC(=O)c2c(Cl)ccc(Cl)n2)sc(cc1)Cl
### Response:
C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(Cl)s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cc1ccc(F)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)NC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1cccc(F)c1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(n2c(n1)nc(-c1c(OC)cccc1)n2)-c1ccsc1
### Response:
COc1ccccc1-c1nc2nccc(-c3ccsc3)n2n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1nccnc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1C[C@H]1C
Fragment 2: [7*]Cc1ccc([14*])o1
### Response:
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)OCc2nnc(-c3ccccc3)o2)o1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.