task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cnc(n1C)S(CCCCC#N)(=O)=O
### Response:
Cn1ccnc1S(=O)(=O)CCCCC#N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(OC)cc1-c1cc(C(=O)N2C[C@]3(CC2)CCCN(C3=O)C)ccc1
### Response:
COc1cccc(-c2cccc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)c2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C)c2nc(N3CCN(C(=O)[C@@H]4CCCCN4S(C)(=O)=O)CC3)sc2c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OCCCC)ccc(cc1)CN1CCOC[C@@H]1C#N
### Response:
CCCCOc1ccc(CN2CCOC[C@@H]2C#N)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cnc2nc(Cc3ccsc3)[nH]c2c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(CN(C)C(=O)[C@H]2CCCCC[C@@H]2[NH3+])c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCC[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)CC)CCO1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)c1cccc(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)c1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nnc2n1CCCCC2
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@@H](C)NC(=O)N[C@H](C)C(=O)NCc1ccco1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
s1ccn(Cc2ccccc2)/c1=N/C(c1ccc(OC(C)=O)cc1)=O
### Response:
CC(=O)Oc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC(=O)COC(=O)/C=C/c1ccc(Br)o1)c1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1ccc(NC(COC(=O)c2c(Cc3ccccc3)cccc2)=O)cc1
### Response:
O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)/N=C(\[O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C([8*])C#N
Fragment 2: [16*]c1ccc(C#N)cc1
### Response:
N#C/C(=C/c1cc(Br)cs1)c1nc(-c2ccc(C#N)cc2)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)c1cc(OC)ccc1Br
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2ccccc2s1
Fragment 2: [1*]C(=O)C1CC1
### Response:
CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1C=CS(=O)(=O)C1
Fragment 2: [5*]N[C@H]1C=CS(=O)(=O)C1
### Response:
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)N[C@H]1C=CS(=O)(=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)cc2)[C@H](C)[C@@H]1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)c1c(ncn3nc(-c4cccs4)nc13)O2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(OCC)(NC1=c2c(OC)cccc2=[NH+][C@H]1C(OC)=O)=O
### Response:
CCOC(=O)NC1=c2c(OC)cccc2=[NH+][C@H]1C(=O)OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(nc(c2c1nc(-c1ccncc1)nc2NC[C@@H]1COCCO1)C)C
### Response:
Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@@H]3COCCO3)c12 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC1(C)CCC[C@H]1N1C(=O)c2cccc(N)c2C1=O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nn(CC)cc1Br
Fragment 2: [5*]Nc1nc2c(s1)C[C@@H](C)CC2
### Response:
CCn1cc(Br)c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2[nH+]c(CN(C)Cc3ccc(OC(F)F)cc3)cn2c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [8*]CCc1ccc(OC)c(OC)c1
### Response:
COc1ccc(CCn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(=O)n([C@H](C)C(=O)N2CCCc3ccccc32)n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [8*]CCC(O)CC[8*]
### Response:
O[C@@H](CCc1ccccc1)CC[C@@H]1[C@@H]2C[C@H](O)O[C@@H]2C[C@@H]1O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(Cc1ccccn1)Cc1cc2ccccc2s1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cccn2c(=O)cc(CS(=O)(=O)CCC3C[C@@H](C)C[C@@H](C)C3)nc12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(C1CCCCC1)N1CCN(Cn2cc(Br)cn2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COC(=O)C1(CCCC1)NC(c1ccc(cc1)C)=O
### Response:
COC(=O)C1(NC(=O)c2ccc(C)cc2)CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccsc2c1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)C1CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CN(c2ccc(Br)cc2N)C[C@@H]1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(CC[NH+](CC1)C[C@@H](O)COC)NCc1ccc(cc1)F
### Response:
COC[C@H](O)C[NH+]1CCC(NCc2ccc(F)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C
Fragment 2: [15*][C@H]1CCc2ccccc2C1
### Response:
Cc1ccccc1-c1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(N2CCOCC2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1nc(CC)cc(=O)[nH]1
Fragment 2: [1*]C(=O)C[4*]
### Response:
CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(C)=O)c2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ncc(C)s1
Fragment 2: [5*]NCC[C@@H]([8*])O
### Response:
Cc1cnc(CNC(=O)NCC[C@H](O)c2ccccc2)s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc2sc(CCOC3CC[NH2+]CC3)nc12
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H](CO)NC(=O)c1ccc(F)c(F)c1F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1CCC[NH+](C)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
FC(F)n1ccnc1CN1CC[NH+](CCN2CCOCC2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[S@@](=O)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(F)cc(CNC(=O)CN2CC[NH+]([C@H](COC)C)CC2)cc1)C
### Response:
COC[C@H](C)[NH+]1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSC[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)cs1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1c2OCOc2c(c(C[C@@H](C)Cl)c1/C=N\NC(=S)N)OC
### Response:
COc1c(/C=N\NC(N)=S)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccn1)C[NH+]1CCC[C@@H]1c1cc(CCC(=O)N)cc(n1)C
### Response:
Cc1cc(CCC(N)=O)cc([C@H]2CCC[NH+]2Cc2cccnc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(nnc(C)n1C)C[NH+](C)C1CCC(CC1)c1ccc(O)cc1
### Response:
Cc1nnc(C[NH+](C)C2CCC(c3ccc(O)cc3)CC2)n1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cnn(C[8*])c1
Fragment 2: [5*]Nc1cnn([9*])c1
### Response:
CC(=O)c1c(C)[nH]c(C(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H]1[13*]
Fragment 2: [10*]N1C(=O)CN(C)C1=O
### Response:
CN1CC(=O)N(CCCC(=O)N2CCC[C@H]2c2ccccc2)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1ccc(C2C[C@@H](C[C@@]3(C[NH2+]CCC3)C(=O)NCCOC)ON=2)cc1
### Response:
COCCNC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[NH2+]C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c(C(=O)Nc2ccc3c(c2)COC3)cccc1[N+](=O)[O-]
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H](CNC(=O)COc1ccc(Cl)cc1)C[C@H](C)O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(C)c(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c(Cl)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4F)cc3)nc2s1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4C[C@H](C)C[C@@H](C)C4)c(F)cc3c2=O)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(nn1)-c1cccs1)N1CCC[C@H](C(=O)Nc2cc(ccc2OC)Cl)C1
### Response:
COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)c1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CN2CCN1CC2
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1ccc(S(=O)(N)=O)cc1)COc1ccc(cc1)Cl
### Response:
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccc(F)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCC(=O)Oc1ccc2c(C)c(C[C@H](C)O)c(=O)oc2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCNC(=O)CN(C)c1cc(C)c(N)c(C(=O)OC)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(C)c2c(s1)nc(SCC(Nc1sc3CCCCc3c1C#N)=O)n(c2=O)C)C
### Response:
Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n(C)c(=O)c2c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1ccc(cc1NC(N1CCO[C@H](c2ccc(C)o2)C1)=O)F
### Response:
COc1ccc(F)cc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCN(Cc1ccnc(/C(N)=N/O)c1)Cc1ccccn1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(F)(F)F
Fragment 2: [10*]N1C[C@@H](/C([O-])=N/c2nc([14*])n[nH]2)CC1=O
### Response:
COc1ccc(N2C[C@@H](/C([O-])=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#CC1=C(N)C(C#N)(C#N)C2(CCC3(CC2)OCCO3)[C@@H]2CC3(CC=C12)OCCO3
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[8*]
Fragment 2: [16*]c1cccc(F)c1/C(N)=N/O
### Response:
C[NH+]1CCC[C@@H]1CCOc1cccc(F)c1/C(N)=N/O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(Cl)cc(C)cc1)NC(C(=O)NCc1c(cccc1)C)=O
### Response:
Cc1ccc(NC(=O)C(=O)NCc2ccccc2C)c(Cl)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CC(=O)N(c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)C1=O
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1C2(C[C@@H](CC1)Nc1cccc(C(C)C)c1)CCOCC2
### Response:
CC(C)c1cccc(N[C@@H]2CCOC3(CCOCC3)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)NNC([6*])=O
Fragment 2: [5*]NCCCCC
### Response:
CCCCCNC(=O)NNC(=O)c1cccc(-n2cccn2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(Cl)ccc1C#N
Fragment 2: [1*]C(=O)C[4*]
### Response:
N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2C#N)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1F
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(-c2cccc(c2)C)cccc(c1)NC([C@H]1CCCN(C1)C(=O)CCSC)=O
### Response:
CSCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [8*]C[NH+]1CCC(C)CC1
### Response:
COc1ccc(OCc2nn(C[NH+]3CCC(C)CC3)c(=S)n2C)cc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C[C@@H](C(N(C)C[C@@H](C2CC2)O)=O)n2nnnc2C)ccccc1
### Response:
Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H](C)[NH2+][C@@H](C)C(Nc1ccc(C#N)c(c1)Cl)=O)(C)C
### Response:
CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(C)cc1S(=O)(=O)Nc1cc(C(C)(C)C)on1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC[C@H](O)c1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(OC)cc(N2Cc3cc(Br)ccc3OCC2=O)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CC[NH+]1Cc1cccc(CNC(=O)NCCC)c1)C
### Response:
CCCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c2nn(-c3ccccc3)c(-n3cccc3)c2c1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccc2scnc2c1)c1ccc2c(c1)OCO2
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)C[C@@H]12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ncn(C2CC2)c1-c1sc(C(C)=O)c(C)n1
### Response:
CC(=O)c1sc(-c2cncn2C2CC2)nc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C)C(C[C@](O)(c1n(ccn1)C)C(F)(F)F)=O)c1cc(OC)ccc1
### Response:
COc1cccc(CN(C)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H]1O[C@@H]([C@H](NC(C)=O)[C@@H]([C@H]1O)O)Oc1c(C)ccc(c1)C)O
### Response:
CC(=O)N[C@H]1[C@@H](Oc2cc(C)ccc2C)O[C@H](CO)[C@H](O)[C@H]1O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]c1cccc(N[5*])c1
Fragment 2: [1*]C(=O)CC
### Response:
CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cnn(CC)c2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNc1nnc(S[C@H](C)C(=O)NC(=O)Nc2ccccc2)s1
### Response:
3 |
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