task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=[N+]([O-])c1ccc(CC[NH+]2CCCC[C@H]2CO)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cl
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)c1noc([C@H]2C=C[C@@H]([NH3+])C2)n1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1cccc([16*])c1
Fragment 2: [8*]COC
### Response:
COCc1cccc(CNC(=O)c2csc(Br)c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1CCCC[C@H]1NC(=O)CNc1cccc(F)c1F
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2c(C(=O)[O-])nnn2-c2ccc3c(c2)OCCO3)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc([C@@H]2CC(=O)C3=C(C2)N[C@@H]2N=NC(O)=C2[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc2c(c1)-c1onc(C(=O)N[C@H](C)C(C)C)c1CC2
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CO[C@H](C)c1nc(C)c([C@H](C)C[NH3+])c(C)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(c1)F)CNC(Cn1c(-c2nc(no2)-c2ccc(c(Br)c2)F)ccc1)=O
### Response:
O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NCc1ccccc1F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cnn(-c2ccc(C(=O)OC3(C4CC4)CC3)cc2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C([4*])(C)C
Fragment 2: [5*][NH2+]CC
### Response:
CC[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[C@H](C(=O)[O-])O1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)NC(=O)N1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc2CCC[C@@H]1[NH2+]C1CCC(CC1)NS(=O)(C)=O
### Response:
CS(=O)(=O)NC1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1ccc(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COC(=O)c1c(C)[nH]c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CC[NH+](CC1)CCCNC(=O)NC1(Cc2c(cccc2)C1)C)c1ncccn1
### Response:
CC1(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)Cc2ccccc2C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1[NH3+]
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CCN1S(=O)(=O)N1[C@@H](c2ccco2)CCC1)OC
### Response:
COC1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccco2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(C(c2ccnn2C)=O)CCC1c1n(c(nn1)C[NH+](C)C)C1CC1
### Response:
Cn1nccc1C(=O)N1CCC(c2nnc(C[NH+](C)C)n2C2CC2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCN2CCCC2=O)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc([14*])nn1[9*]
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](C)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)/C(C)=C\C
Fragment 2: [15*][C@@]1(C)CC[C@@H](O)[C@@]2(C)CC=C(C(C)C)C[C@H]21
### Response:
C/C=C(/C)C(=O)O[C@H]1[C@@H](O[C@@]2(C)CC[C@@H](O)[C@@]3(C)CC=C(C(C)C)C[C@H]32)O[C@H](C)[C@H](O)[C@H]1O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCC1
Fragment 2: [5*]N1c2ccccc2C[C@@H]1C
### Response:
C[C@H](NC(=O)CN1c2ccccc2C[C@@H]1C)C(=O)N1CCCCC1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C/C=C(\C)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)N(Cc3ccccn3)C2=O)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)o1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(C(N[C@@H](c3ccc(-c4cncnc4)cc3)C)=O)c(nn2cccn1)C
### Response:
Cc1nn2cccnc2c1C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=O)C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OCCCO2
Fragment 2: [10*]N1CCSC1=O
### Response:
C[C@@H](NC(=O)CN1CCSC1=O)c1ccc2c(c1)OCCCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C)N1CCC[C@H]1c1n(c2c(n1)cccc2)CCCOc1c(ccc(C)c1)C(C)C
### Response:
CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(CCc1ccccc1)C(=O)NC[C@H]1CCCO1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1c(N2C(=O)N=C(O)/C(C2=O)=C/c2c(cc(OC)c(OC)c2)OC)cccc1)CC
### Response:
CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2cc(OC)c(OC)cc2OC)C1=O |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCN(CC1CC1)c1cc2c(cc1Cl)[C@@H]([NH2+]C)C(=O)N2
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[8*]
Fragment 2: [9*]n1ccccc1=O
### Response:
[NH3+]Cc1ccccc1OCCn1ccccc1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc(N)cn1
Fragment 2: [5*]N1CCOCC1
### Response:
Nc1ccc(N2CCOCC2)nc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)c(NCc2cc(n3cc(Cl)ccc3n2)=O)c(cc(C)c1)C
### Response:
Cc1cc(C)c(NCc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]([C@]1(C#N)CCC[C@@H](C1)C)(c1cc(Br)c(cc1)F)O
### Response:
C[C@H]1CCC[C@@](C#N)([C@H](O)c2ccc(F)c(Br)c2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(C(=O)NCCc2nc(-c3ccccn3)cs2)c(C)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccnc(N2CCC(C(=O)N[C@@H]3C[C@@H]4CCCc5cccc3c54)CC2)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)Nc2ccc(cc2)[C@@H](C)NC(=O)c2c(cc(C)[nH]c2=O)C)ccncc1
### Response:
Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(=O)[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(S[11*])nc2c(c1=O)SCC2
Fragment 2: [4*]Cc1ccccc1
### Response:
O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Br)cc1)CCS2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CNC(C)=O)C2)c(C)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [16*]c1ccccc1F
### Response:
CN(Cc1nccs1)C(=O)NCC(C)(C)c1ccccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc(C)o1
Fragment 2: [5*]N1CC[C@H](C(N)=O)c2ccccc21
### Response:
Cc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(Cc1ccccc1)(/[NH+]=C(\C)OC)=O
### Response:
CO/C(C)=[NH+]/S(=O)(=O)Cc1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OCCO
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1C[NH2+]C[C@@H]1OC
Fragment 2: [1*]C(=O)C[8*]
### Response:
CO[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cc(C)ccc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1cccnc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N([C@@H](C(C)C)CNC(CN2C(c3c(cccc3)C2=O)=O)=O)CC[NH+](C)C1
### Response:
CC(C)[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cccc([16*])c1=O
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(N2CCCC2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-]C(c1c(cccc1)CN1C[C@H](c2n(c(C[NH+](C)C)nn2)C)CCC1)=O
### Response:
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(Cc2ccccc2C(=O)[O-])C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@H](CN(C(=O)c2cccc3c2[nH]cc3)C)C)cccc1
### Response:
C[C@@H](CN(C)C(=O)c1cccc2cc[nH]c12)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(OCCO2)cc2c1[nH]c(=O)c(c2)[C@H](c1nnnn1C1CCCC1)N1CC[NH+](CC1)CC
### Response:
CC[NH+]1CCN([C@H](c2cc3cc4c(cc3[nH]c2=O)OCCO4)c2nnnn2C2CCCC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1nc2ccccc2[nH]1)C1CCN(C(=O)C2CC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCn2c(nn(C)c2=O)C1
Fragment 2: [8*]CC(C)C
### Response:
CC(C)Cc1noc(C[NH+]2CCn3c(nn(C)c3=O)C2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@H](c3nncn3C3CC3)C2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H](C)O1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C/[NH+]=C(/NCc1cc(C)on1)NCc1ccccc1-n1ccnc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc2oc([14*])nc2c1
Fragment 2: [1*]C(=O)c1ccccc1[N+](=O)[O-]
### Response:
Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+]Cc1ccc(Oc2cccc(F)c2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(CCCC(C1)=O)N1CCC[NH2+]CC1
### Response:
O=C1CCC[C@@H](N2CCC[NH2+]CC2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1ccc(C[NH+](C[C@@H](O)c2ccccc2)C2CC2)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1nsc(Sc2nc(-c3ccncc3)n[n-]2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@@H](Sc1ncn[nH]1)C(=O)NC1CCCC1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCN1CC(=O)Nc2cc(C(=O)N(C)CCCN3CC[NH+](C)CC3)ccc21
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH+]1CCC[C@@H]1C[NH+](C)CCC(=O)[O-]
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(C)S(=O)(=O)/C(C#N)=C/Nc1cccnc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCOc1ccc(C[NH2+]C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)C1CCN(C(=O)c2cccnc2[S-])CC1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(F)c(N[C@@H]2CCOC3(CCCC3)C2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](C)C)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Br)cc2c1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=NN(c2ccccc2)[C@H](Cl)[C@@H]1/C=N/NC(=O)C[C@H]1N=NC(=O)NC1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1c(C(N(c1c(C)ccc(c1)C)C)=O)cnc2N1CCOCC1
### Response:
Cc1ccc(C)c(N(C)C(=O)c2cnc(N3CCOCC3)c3ccccc23)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(/C=C2\SC(S)=NC2=O)c(C)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(N[C@@H]1C[C@@H]2CCCc3cccc1c32)[C@]1(O)CCSC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cnn([9*])c1
Fragment 2: [16*]c1ccccc1F
### Response:
C[C@@H](CCc1ccccc1F)C(=O)Nc1cnn(-c2ncccn2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccccc1-c1ccc(C[NH2+]C2CC2)cc1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCN(c1nc(Cl)ncc1C)[C@H](C)COC
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCC1)S(=O)(=O)c1ccc(cc1)CCC(N1c2c(cccc2)C[C@@H](C1)[NH+](C)C)=O
### Response:
C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc([C@H]2C[NH2+]CC[C@]23CC(C)(C)OC3(C)C)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc2c(c1)OCCO2
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1cc(Br)c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CNCC3)c(-n2cccn2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([16*])cc1
Fragment 2: [7*]CC1=c2ccccc2=[NH+]C1
### Response:
CCN(CC)c1ccc(N2C(=O)/C(=C\C3=c4ccccc4=[NH+]C3)SC2=S)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CCN1C[C@H]([C@@H]([NH3+])C)CCC1)C
### Response:
COCCN1CCC[C@@H]([C@H](C)[NH3+])C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[NH+]([C@H](CN(C(c2nccc(c2)NN)=O)C)C1)CC
### Response:
CC[NH+]1CCC[C@H]1CN(C)C(=O)c1cc(NN)ccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(/C=C2\SC(=N)N(C)C2=O)cc1OC
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(SCc2ccccc2)nnc(s1)NC(=O)[C@@]12N(C(CC2)=O)c2ccccc2S1
### Response:
O=C1CC[C@@]2(C(=O)Nc3nnc(SCc4ccccc4)s3)Sc3ccccc3N12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CCCC[C@H]1NC(=O)CNc1c(F)c(F)ccc1)C
### Response:
C[C@H]1CCCC[C@H]1NC(=O)CNc1cccc(F)c1F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(C)s2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c1
### Response:
0 |
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