task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=C(C)[C@H](CC(F)(F)F)[NH2+]CC
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
FC(F)(F)c1cccc2c1CCCC2
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cn2c(=O)cc(C)[nH]c2n1
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C)c(Br)c1
Fragment 2: [5*]Nc1ccc(S(=O)(=O)N[5*])cc1
### Response:
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCCC[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2CC2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(-c2ccc(N3CCC(C(=O)[O-])CC3)nn2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(nc(NC(=O)c3ccc(o3)C)s2)ccc1C
### Response:
Cc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1C[C@H](CN(C)Cc2[nH+]cc(C)c(OC)c2C)Oc2ccccc21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1cccc(N2C[C@H](C(=O)Nc3nc4c(s3)COCC4)CC2=O)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C[C@H](O)c1c(F)cccc1F)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc(N2CCOC2=O)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1cccnc1[14*]
Fragment 2: [3*]OCC
### Response:
CCOc1ncccc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccnc1[14*]
Fragment 2: [5*]N([5*])C(C)C
### Response:
CC(C)Oc1ncccc1CNC(=O)N(C[C@@H]1C[C@@H]1C)C(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OC)c(O)c(ccc1)CNC(N[C@@H]1[C@@H](C1)CCC)=O
### Response:
CCC[C@@H]1C[C@@H]1NC(=O)NCc1cccc(OC)c1O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(CC)nc32)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCC[C@]1(C(=O)[O-])CCN(c2cncc(C(=O)OC)n2)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(c2ccc(cc2)F)CC[NH+](CC1)C[C@H](O)COc1ccc(cc1)Cl
### Response:
O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1Cl
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc(C(CO)(CO)Cc2ccc(F)cc2Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cc(C)ccc2OC)c1C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc[nH+]c1
Fragment 2: [5*]N1CCC[C@H]([15*])C1
### Response:
Cn1nnc2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)ccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S([C@H]1C[C@]([NH2+]C2CC2)(CCC1)C(=O)[O-])c1ncn[nH]1
### Response:
O=C([O-])[C@@]1([NH2+]C2CC2)CCC[C@@H](Sc2ncn[nH]2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CCc2scc(C[NH+]3CCC[C@@H]3C(=O)N(C)C)n2)ccccc1
### Response:
CN(C)C(=O)[C@H]1CCC[NH+]1Cc1csc(CCc2ccccc2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CCCCC[C@H]1[15*]
Fragment 2: [1*]C(=O)c1cc(C)nc2c1cnn2[9*]
### Response:
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C)nc2c1cnn2C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]Cc1scnc1C
Fragment 2: [4*]Cc1scnc1C
### Response:
CCn1c(C)cc(C[NH2+]Cc2scnc2C)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC(=S)N1CCOCC1
Fragment 2: [16*]c1ccccc1F
### Response:
Fc1ccccc1NC(=S)N1CCOCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCN1C[C@]2(CCC[NH+](Cc3ccc(SC)cc3)C2)CCC1=O
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1NC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(CC)CC
Fragment 2: [16*]c1ccc2c(c1)OCCCO2
### Response:
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(Br)ccc1COC(=O)CCc1nc(C2CC2)no1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCC2=CCCCC2)cn1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCn1ncnc1C[C@H](O)[C@@H]1C[NH+](C)CCN1C
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc2c(c1)OCO2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)OC(C)C)[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)CO)C
### Response:
CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(O[3*])nc1
Fragment 2: [3*]OCC(F)F
### Response:
N#Cc1ccc(N(C(=O)c2ccc(OCC(F)F)nc2)C2CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1ccccc1Br
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=C1CCCC(C)(C)[C@]12CC=C(C)CC2
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1=NN(C(=S)Cc2ccccc2)[C@@](C)(O)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(=C\c1cc(Br)ccc1O)/NC(=O)[C@H]1N=NC(=C1)c1ccccc1
### Response:
O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1C=C(c2ccccc2)N=N1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccc(/N=C2/COCCN2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1
Fragment 2: [8*]Cc1ccccc1
### Response:
Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nnc(Cc4ccccc4)s3)CCCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@@H](O)c1ccc(Br)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Nc1nnc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(NCc1ccccc1)N[C@@H]1CCc2cccnc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(N[5*])cc1C#N
Fragment 2: [3*]Oc1ccc([16*])cc1C#N
### Response:
C[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [4*]CCC[8*]
### Response:
COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Cl)cc1Cl
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1ccc(C(NC[C@H]2C(N=C(C=C2C)C)=O)=O)c(F)c1)C
### Response:
COc1ccc(C(=O)NC[C@H]2C(=O)N=C(C)C=C2C)c(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCCc1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1nc(cs1)COc1cccc(c1)C(N1S(=O)(CCC1)=O)=O
### Response:
Cc1nc(COc2cccc(C(=O)N3CCCS3(=O)=O)c2)cs1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@]12C[C@H](NC(=S)N1c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1-c1cccc(CN2CCn3c(nnc3C(F)(F)F)C2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCN[C@@]1(C#N)CC[C@@H](n2nc(C)c(CC)c2C)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)Nc2cc(C(NCC)=O)c3ccccc3n2)c(nn(CC)c1Cl)C
### Response:
CCNC(=O)c1cc(NC(=O)c2c(C)nn(CC)c2Cl)nc2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(N[C@@H]2C[C@@H](C)Nc3cc(OC)c(OC)cc32)cc1OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1CCC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](Cc1ccc(cc1)OC)(c1[nH]c2ccccc2n1)/C(N)=N/O
### Response:
COc1ccc(C[C@@H](/C(N)=N/O)c2nc3ccccc3[nH]2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2N)cc1F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccc(CC(=O)Nc2nnc(-c3ccccc3OC)o2)cc1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCOC(=O)NC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CC[C@H](C)C2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1OC
Fragment 2: [3*]OCc1cc([14*])no1
### Response:
COc1ccccc1-c1cc(COC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)on1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C([O-])c1cc(/C=C/c2cccc3ccccc23)ncn1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1nnc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCn1nc(-c2ccc(C)s2)ccc1=O
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)[C@@H]1[C@H](CCCC1)[NH2+]Cc1ccc(c(OCC)c1)O
### Response:
CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2CC)ccc1O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)c1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)o1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(=O)[nH]c([O-])n1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COCC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2)C1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCO[C@@H](C)[C@@H]1C
Fragment 2: [5*]NCc1c(CC)nn(C)c1OC
### Response:
CCc1nn(C)c(OC)c1CNC(=O)N1CCO[C@@H](C)[C@@H]1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H]([8*])CN[5*]
Fragment 2: [14*]c1ccco1
### Response:
CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1ccco1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccccn1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(c1cccc(c1C)C)=O)C(OC1CCCCC1)=O
### Response:
Cc1cccc(C(=O)NCC(=O)OC2CCCCC2)c1C |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCc1c[nH]c2ccccc12)Nn1cnc2c(cnn2-c2ccccc2)c1=O
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c2c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(OC)cc(OC)c1
Fragment 2: [16*]c1cccc([N+](=O)[O-])c1
### Response:
COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(N)=O
Fragment 2: [1*]C(=O)C[4*]
### Response:
C[C@@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc(F)cc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@H]1CCCN1S(=O)(=O)N1CCOCC1
Fragment 2: [13*][C@H]1CCCN1S(=O)(=O)N1CCOCC1
### Response:
O=S(=O)(N1CCOCC1)N1CCC[C@@H]1Cn1ccnc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSC1CCCC1)Nc1cccc2ncccc12
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCC[NH2+][C@@H]1CCC[C@H]1CC[NH+](C)C1CCOCC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC(N[5*])=[NH+]C
Fragment 2: [4*]Cc1cccc(C)c1
### Response:
C/[NH+]=C(\NCc1cccc(C)c1)NCc1ccc(C)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)(F)F
Fragment 2: [1*]C(=O)[C@@H]1C[C@H]1[15*]
### Response:
COC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C[C@H](CC1)C(NCc1ccccc1F)=O)c1sc2nc(cc(n2n1)=O)C
### Response:
Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)sc2n1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nn(C)c(C)c1OS(=O)(=O)c1cccc(Br)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C)C(=O)C[NH+](C)Cc1nc2c(N)cccc2o1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCNC(=O)[C@H]1[13*]
Fragment 2: [4*]Cc1cc(F)c(F)cc1F
### Response:
O=C1NCCN(Cc2cc(F)c(F)cc2F)[C@@H]1c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C1CC2(CCC2)NC(=O)N1C1CCCC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(-n2[nH]c(C(=O)N[C@@H](C)c3ccc(Cl)s3)cc2=O)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCOc1ccc(-c2[nH+]ccn2CCc2ccncc2)cc1CO
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [4*]Cc1sc(C)nc1C
### Response:
Cc1nc(C)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(N)=O
Fragment 2: [11*]Sc1nc2ccccc2cc1C#N
### Response:
N#Cc1cc2ccccc2nc1SCC(N)=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc([C@@H]2[C@H](C(Nc3cccc(c3C(=O)N)C)=O)C2)cc1Cl
### Response:
Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)c1C(N)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1
### Response:
3 |
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