task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)NC(=O)O[C@@H]1CC[C@@H]([NH3+])C1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](OC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-n2nc(C(=O)N[C@H](C)[C@H](CO)SC)cc2C)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cnn(CC(C)C)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1ccc(C(F)(F)F)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc2c1=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCO[C@@]2(CCSC2)C1
Fragment 2: [6*]C(=O)CCC(F)(F)F
### Response:
O=C(CCC(F)(F)F)[C@@H]1CCO[C@@]2(CCSC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[4*]
Fragment 2: [4*]CC[NH+]1CCN([5*])CC1
### Response:
Cc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc([16*])ccc1=O
Fragment 2: [5*]NCc1cccs1
### Response:
C[C@@H](C(=O)NCc1cccs1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC1c1cc(no1)C(=O)N1CCOC[C@H]1C[NH+](C)C
### Response:
C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc(C2CC2)on1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC(=O)/C(=C\c2c(OC)ccc(c2)Cl)C#N)cc(C)cc(c1)C
### Response:
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1ccc(C[NH+](C)[C@@H](C)c2sc(C)nc2C)o1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCN(C(=O)CNC(=O)NCC1CCCC1)c1nc(C)cs1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccnc([14*])c1
Fragment 2: [5*]N(C)C[8*]
### Response:
CN(C[C@@H]1CC[NH+](C)C1)C(=O)NCc1ccnc(OCC(F)F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccccc1
Fragment 2: [5*]Nc1ccccc1[16*]
### Response:
CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)c1cc(CNC(=O)C(C)(C)c2ccccc2)cc[nH+]1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC[NH+]([C@H](CNC1c2c(S(N=1)(=O)=O)cccc2)c1cscc1)CC
### Response:
CC[NH+](CC)[C@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccsc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)NC(C)=O)/C=C/C(Oc1cc(C(=O)N(CC)C)ccc1)=O
### Response:
CCN(C)C(=O)c1cccc(OC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCC[C@@H](C#N)[C@](O)(CC)COC
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)N[C@H]3N=NC(O)=C23)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [1*]C(=O)c1ccc([16*])cc1
### Response:
CCOC(=O)c1ccc(-c2ccc([C@H]3C(C#N)=C(N)Oc4cc(N)ccc43)o2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1cc(C)c2cc(S([12*])(=O)=O)ccc2n1
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1Br
Fragment 2: [8*]Cc1ccccc1
### Response:
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)C1=NC=CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-c2nc(C(NC[C@@H]3CCOC3)=O)cs2)oc1
### Response:
O=C(NC[C@@H]1CCOC1)c1csc(-c2ccco2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N[C@@H](CO)c1cc(c(cc1)Cl)F)NCc1ncsc1
### Response:
O=C(NCc1cscn1)N[C@@H](CO)c1ccc(Cl)c(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc([16*])c1
Fragment 2: [1*]C(=O)c1cccc(N[5*])c1
### Response:
Cc1cc(N2CCN(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)nc(C)[nH+]1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1ccccc1)c1cccc(OC(=O)c2ncn(-c3ccccc3)n2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nn(C)c(Cl)c1CN1CCC(N2CCO[C@H](C)C2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [4*]Cc1ccc(OC)c(O)c1
### Response:
COc1ccc(CN(C)C(=O)NCCc2c(Cl)cccc2Cl)cc1O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ncnc2c1nc([S-])n2[C@@H](C)c1ccc(Cl)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@]1(c2cccc(Cl)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ncnc1CCNC(=O)CSc1cccc2cccc(Cl)c12
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
c1ccc([C@@H]([NH2+]C2COC2)C2CCCCC2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(C)c(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCn1nnc2ccccc2c1=O)NCC(F)(F)F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1noc(CC)n1
Fragment 2: [4*]Cc1cc(Cl)c(OC)c(OC)c1
### Response:
CCc1nc(CN2CC[NH+](Cc3cc(Cl)c(OC)c(OC)c3)CC2)no1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)(F)c1cc(CCOC([C@H](C)N2C(NC3(CCCC3)C2=O)=O)=O)ccc1
### Response:
C[C@@H](C(=O)OCCc1cccc(C(F)(F)F)c1)N1C(=O)NC2(CCCC2)C1=O |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C/[NH+]=C(/NCCc1csc(C)n1)NCc1ccsc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1CCOC2(CCOCC2)C1
Fragment 2: [12*]S(=O)(=O)c1ccc(OC)cc1
### Response:
COc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](c1cc(c(cc1)C)F)(NC(=O)CN(C(=O)OC(C)(C)C)C)C
### Response:
Cc1ccc([C@H](C)NC(=O)CN(C)C(=O)OC(C)(C)C)cc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC[C@@H]1C[C@@H]1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2c(F)cccc2[nH]1
Fragment 2: [5*]N(C)[C@H]1CCC[C@@H](C)C1
### Response:
C[C@@H]1CCC[C@H](N(C)C(=O)c2cc3c(F)cccc3[nH]2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)C[C@H]1CCCCCN1C(=O)N1CCCCCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nncn2CC)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1n[nH]c(C(=O)N(C)CC(=O)[O-])n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(O)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[n+]1c(-c2ccccc2)cn2ccccc21)c1cccc([N+](=O)[O-])c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1cccc2ccccc12
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1ccc(S(=O)(=O)/C(C#N)=C\C=C\c2ccccc2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccn2c(=O)c(C(=O)N[C@H]3CCN(C(=O)C(C)C)C3)cnc12
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@](C)(NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1ccccc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCn1nnnc1NCc1c(Cl)cccc1Cl
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NC(C)(C)c1noc(-c2ccc([S@@](C)=O)cc2)n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C[C@H]([15*])CN([5*])C1
Fragment 2: [3*]OCC
### Response:
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccccc3)CN(C(=O)c3cccc(F)c3)C2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1C(c2c(cc(cc2)C(O[C@H](C(=O)Nc2ccc(F)cc2)C)=O)C1=O)=O)c1occc1
### Response:
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(OCc2nccn2C)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1c(ccc(-n2nnnc2)c1)N1CCCC1)Cc1ccccc1
### Response:
O=C(Cc1ccccc1)Nc1cc(-n2cnnn2)ccc1N1CCCC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(Cc1ccccn1)C(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C(CSc1ccc(C(=O)N2CCCC2)cn1)N1CCc2ccccc2C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCCc1cnc(C)nc1N1CCC([NH2+]C[C@H](O)c2ccccc2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1[C@H]2C=C[C@]3(CN([10*])C(=O)[C@@H]13)O2
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccco3)[C@@H]4C2=O)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C)c2c(=O)cc(CS[C@@H]3NN[C@@H](c4ccco4)[NH+]3C)[nH]c2c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)n1ncc2c(C(=O)N3C[C@H]4CCC[C@H]4C3)cc(C3CC3)nc21
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](NC(=O)NCCc1ccccn1)c1nnc2ccccn12
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([nH]c([O-])nc2c1c(C)cc(C(=O)N(CCCC=C)C)n2)=O
### Response:
C=CCCCN(C)C(=O)c1cc(C)c2c(=O)[nH]c([O-])nc2n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1CCSCC1
Fragment 2: [1*]C(=O)C[7*]
### Response:
O=C(C=C1CCSCC1)NC[C@H](O)C[NH+]1CCc2ccccc2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(N(c2c(cccc2Cl)Cl)c2c(/C1=C\C(=C(/N)NCCO)C#N)cccc2)=O
### Response:
N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCCO |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCOc1c([N+]([O-])=O)nc(Br)c(c1)OCC
### Response:
CCOc1cc(OCC)c([N+](=O)[O-])nc1Br |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)S[C@@H]1NN=C(c2ccccc2F)N1C1CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc2ccccc2n1CCNC(=O)NNC(=O)[C@H]1CCCO1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C[NH2+][C@@H](Cc1ncccc1C)c1ccc(Br)c(F)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCc1nnc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)cc(ccc1NC(N[C@H]1CCC[C@H]1C(OC)=O)=O)Cl
### Response:
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCC1(NC(=O)c1ccccc1OC(F)F)c1noc(C)n1
### Response:
Cc1nc(C2(NC(=O)c3ccccc3OC(F)F)CCCC2)no1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccnn1-c1ccc(C(=O)Nc2nncs2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(F)(c1c(cccc1)NC(CN(C(=O)c1ccc2c(=O)n(c(nc2c1)[S-])CC=C)C)=O)(F)F
### Response:
C=CCn1c([S-])nc2cc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)ccc2c1=O |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=C(Br)CN1CCN(c2cc(C)[nH+]c(C)n2)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CCC[C@@H]1C[NH+](CC(=O)N1CCCC1)Cc1ccc(cc1)CC
### Response:
CCc1ccc(C[NH+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)c1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1C
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
N#Cc1ccc(NC2CCN(c3ccc(C#N)cn3)CC2)nc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccccc1OCC(=O)Nc1onc2c1C[C@@H](C)CC2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Cn1cccn1)OC(=O)[C@H](C)N1CCc2ccccc2C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1CCO[C@@H](c2ncc(CNCCOC)cn2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CN2C(=O)c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3C2=O)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccncc1Cl
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
COc1cccc(Oc2ccc(NC(=O)c3ccncc3Cl)cc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(Cl)ccc(N2C(=S)S/C(C2=O)=C2/C(N(c3ccccc32)CC(=O)OCC)=O)c1)Cl
### Response:
CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)CS(=O)(=O)[N-]c1ccc(cc1[N+]([O-])=O)Cl
### Response:
CCCS(=O)(=O)[N-]c1ccc(Cl)cc1[N+](=O)[O-] |
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