task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C([O-])CCCC2=N1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC1CCCCCC1)N[C@H]1CCSc2c(F)cccc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC2(C[NH2+]C2)C1
Fragment 2: [4*]Cc1ccccc1
### Response:
c1ccc(CN2CCCC3(C[NH2+]C3)C2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CC(C(=O)Nc2ccccc2N(C)C2CCCC2)C[C@H](C)O1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]C[C@@H](C)C(=O)N(C)c1ccc(F)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [5*]NCC[8*]
### Response:
C[C@@H]1OCC[C@@H]1C(=O)NCCc1cccc(OCc2ccccc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)(F)Cl
Fragment 2: [16*]c1ccccc1
### Response:
FC(F)(Cl)Oc1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(N2CCN(C(=O)NCc3ncn(C)n3)CC2)c1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(N2CCCC2)c(ccc1)NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
### Response:
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccnc1N1CCCC1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCN(C(=O)[C@@H](C)SCc1nc(-c2cccs2)no1)c1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccsc1CNC(=O)CCCC[NH3+]
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(c(c1)F)F)CSc1nc(cc(n1C)=O)C(C)(C)C
### Response:
Cn1c(SCc2ccc(F)c(F)c2)nc(C(C)(C)C)cc1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Brc1cc2c(cc1)[NH2+]C[C@H]1CCC[C@H]1N2
### Response:
Brc1ccc2c(c1)N[C@@H]1CCC[C@@H]1C[NH2+]2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1nnc2n1CCC2
Fragment 2: [1*]C(=O)C[C@H]1CCc2ccccc21
### Response:
O=C(C[C@H]1CCc2ccccc21)NCc1nnc2n1CCC2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCCc3ccccc32)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(/C=N/NC(=O)c2ccc(cc2)[N+](=O)[O-])oc(-c2c(ccc(c2)[N+]([O-])=O)C)c1
### Response:
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N[C@@](C(F)(F)F)(OC)C(OCC)=O)(Nc1nc(C)ccc1)=O
### Response:
CCOC(=O)[C@@](NC(=O)Nc1cccc(C)n1)(OC)C(F)(F)F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc(-n2ccn(CC(=O)NC3CCC(C)CC3)c(=O)c2=O)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1
Fragment 2: [5*]N(C)C
### Response:
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H]([NH2+]Cc2cnccc2)c2ncccc2)ccccc1
### Response:
c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccccn2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C(=O)c1ccc(F)cc1O)[C@H]1CCCN(c2ccccc2)C1=O
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(N(CC)Cc2ccc(cc2)O)ccc1N
### Response:
CCN(Cc1ccc(O)cc1)c1ccc(N)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)C(C)C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H]2[C@@H](C[C@@H](N2C(=O)Nc2cccc(c2)CS(=O)(=O)C(C)C)C)CCC1
### Response:
CC(C)S(=O)(=O)Cc1cccc(NC(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C#CCOc1c(c2ccccc2cc1)CN1C[C@H](NCC1)C(N(C)C)=O
### Response:
C#CCOc1ccc2ccccc2c1CN1CCN[C@H](C(=O)N(C)C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c([14*])nc2cccnc21
Fragment 2: [8*][C@H](C)C(N)=O
### Response:
C[C@H](C(N)=O)n1c(CCCl)nc2cccnc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(CC#N)ccc(S(=O)(=O)N2[C@@H](C[NH2+]C[C@H]2C)C)c1
### Response:
C[C@@H]1C[NH2+]C[C@@H](C)N1S(=O)(=O)c1ccc(CC#N)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1sc(C)c(C)c1C#N
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1sc(NC(=O)CN(Cc2ccccc2)C2CC[NH+](C)CC2)c(C#N)c1C |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@@H]1Oc2ccccc2N(CCC(=O)Oc2ccccc2)C1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccs1
Fragment 2: [1*]C(=O)c1cccc(C)c1OC
### Response:
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CCN1C(N(C)[C@@H]1CSCC1)=O)C(=O)[O-]
### Response:
CN(C(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCSC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1OCCC(Sc2c(c(nc(F)c2F)F)F)C1
### Response:
Fc1nc(F)c(F)c(SC2CCOCC2)c1F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COC(=O)COc1ccc(N[C@@H]2CS[C@H](C)C2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CC[NH+](C)CC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)cc(C)cc1C
Fragment 2: [10*]N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
### Response:
Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C2)c(C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(C(=O)/C(C#N)=C/c2oc(cc2)-c2ccc(cc2)[N+](=O)[O-])c1)OC
### Response:
COc1ccc(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](C(=O)NCC1)[NH2+][C@H](c1ccc(OC)cc1OCc1ccccc1)C
### Response:
COc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2=O)c(OCc2ccccc2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)C1(CC1)CNC(NC1CCN(CC1)c1cccc(C)[nH+]1)=O
### Response:
CCC1(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n2ccc(c(c2nc1)F)C(F)(F)F
### Response:
Fc1c(C(F)(F)F)ccn2ccnc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)Oc2ccccc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Cl)cc1N1/C(=N/C(=O)Cc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCN1C(=O)/C(=N\NC(=S)Nc2c(C)cc(C)cc2C)c2ccccc21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[NH+](CC(=O)Nc1ccccc1F)C1CCCC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2cc(C)on2)n1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H](CCCC)[C@@](C)(O)c1ccccc1Cl)(=O)OC
### Response:
CCCC[C@@H](C(=O)OC)[C@@](C)(O)c1ccccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(OC)c([N+](=O)[O-])c1
Fragment 2: [5*]N1CCOC[C@H]1[13*]
### Response:
COc1ccc(CN2CCOC[C@H]2C(N)=O)cc1[N+](=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@]([NH3+])(CC)C)(=O)Nc1ccc(c(c1)C)OC
### Response:
CC[C@@](C)([NH3+])C(=O)Nc1ccc(OC)c(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1nc(CN2CCOC[C@H]2C)cs1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cn1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](C)C(=O)/N=c1\[nH]nc2cc(C)ccn12
Fragment 2: [16*]c1ccc(CC)cc1
### Response:
CCc1ccc([C@H](C)C(=O)/N=c2\[nH]nc3cc(C)ccn23)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1Sc2ccccc2NC1=O
Fragment 2: [5*]NCC[8*]
### Response:
Cc1cccc(CCNC(=O)[C@@H](C)[C@@H]2Sc3ccccc3NC2=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCc1nc2ccccc2s1
Fragment 2: [11*]Sc1nnc([14*])o1
### Response:
Cc1cc(C)c(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)c(C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CN([5*])C1
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
COC(=O)c1ccc(NC(=O)C2CN(C(=O)c3cc(C)on3)C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CC[NH+]3CCCCC3)C2=O)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccc2ncccc2c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1c([14*])nn(C)c1[14*]
Fragment 2: [1*]C(=O)[C@H]1C[C@H]1C
### Response:
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ncc([14*])s1
Fragment 2: [5*]NCC[8*]
### Response:
Cc1c(CCNCc2ncc(-c3ccccc3)s2)cnn1C |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(CC(=O)NC)cc1)NC(=O)CCCNC(C)=O
### Response:
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)Oc1cccc(CNC(=O)N2CCC(C)(C)C2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CO)[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1c(C)nn(C/C=C/CS)c1C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccncc1)NC1(c2ccc(F)cc2F)CCOCC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Brc1cccc(c1)CNCCC[NH2+]C
### Response:
C[NH2+]CCCNCc1cccc(Br)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)no1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C[C@@H]1CCC(C)(C)C1=O)c1ccc(F)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1)N1CC[NH+](C)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1n(C)cc(c1CC)C(=O)O[C@H](c1ncccc1)CC#C
### Response:
C#CC[C@H](OC(=O)c1cn(C)nc1CC)c1ccccn1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC1(C)CN(C(=O)c2ccc(-n3ccnn3)cc2)CCS1(=O)=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH+](CC(=O)NCC(=O)c1ccccc1)[C@H]1CCSC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1ccc(/C=C2\SC(=S)N(CC(Nc3ccc(C(=O)C)cc3)=O)C2=O)cc1OC
### Response:
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CCC#N)S(=O)(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCOc1c(Cl)cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)c2ccccc23)cc1OC
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCS2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC(C)(C)c1nc(C[NH+]2CCCN(C(=O)[C@H]3CO[C@@H]4C=CC=C[C@@H]4O3)CC2)cs1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c([C@@H](C)NCCc2nncn2C2CC2)cnn1-c1ccc(F)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC[C@@H]1CCC[C@]1([4*])C#N
Fragment 2: [5*]NCC
### Response:
CCN[C@]1(C#N)CCC[C@H]1CC[NH+]1C[C@H](C)C[C@H](C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)N1C[C@H](C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(OC)cc2)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC([N+](=O)[O-])CC2)[C@H]([N+](=O)[O-])C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=[S@@](c1ccccc1F)[C@@H]1CCOC2(CCSCC2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1([NH2+][C@H](CCO)C)Cc2c([nH]c3c2cccc3)CC1
### Response:
C[C@@H](CCO)[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc([14*])nn1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
CCC(CC)C(=O)N1CCN(c2ccc(N3CCCC3)nn2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)[C@@H](CNC(=O)c1ccn2cncc2c1)Oc1ccc(F)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CN(Cc1cccnc1)c1ccc(-c2nc(COc3ccccc3)no2)c[nH+]1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(C[NH2+]CC)c1)O[C@H](C)C(=O)NC(C)(C)C
### Response:
CC[NH2+]Cc1ccccc1O[C@H](C)C(=O)NC(C)(C)C |
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