task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)c1ccccc1NC(=O)c1ccc(SCc2cccnc2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Sc2ncccn2)cc(C)c(NC(=O)N(C)C2CC2)c1
### Response:
Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)C1CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc(CN(C)Cc2cc(Cl)ccc2F)n1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=C(/C=C/[C@H]1CC=CCC1)Oc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2sccc2[C@H]1CC
Fragment 2: [1*]C(=O)C[8*]
### Response:
CC[C@@H]1c2ccsc2CCN1C(=O)Cn1ccc(=O)c2sccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
FC(F)(F)c1cccc2c1CCCC2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1cccc(Br)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(/C=C/C1CC1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1OC
Fragment 2: [1*]C(=O)NCC[4*]
### Response:
COc1cccc(F)c1[C@H](C)NC(=O)NCC[NH+]1CCC(OC)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CCN1CCOCC1)NC(=O)[C@H]1CN(C)CCO1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn([9*])c1C
Fragment 2: [1*]C(=O)CN([5*])C
### Response:
Cc1c(C(=O)N(C)CC(=O)OC(C)(C)C)cnn1-c1ccc(Br)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [1*]C(=O)[C@]1([NH2+][5*])CCC[C@@H](S[11*])C1
### Response:
CCOC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](SC(C)C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ccnn1C(C)C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[NH+]([5*])C
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
CCCC[NH+](C)CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCNc1cnc2ccccc2n1)N1CCCCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1/C=C/C[NH2+][C@H]1CCN(c2ccc(cc2)C)C1=O)C#N
### Response:
Cc1ccc(N2CC[C@H]([NH2+]C/C=C/c3ccc(C#N)cc3)C2=O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CCC(=O)N3)o2)s1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C(=O)/C=C/c2ccccc2C)ccc1O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CC[C@H]([15*])C1
Fragment 2: [5*]N([5*])Cc1ccco1
### Response:
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
c1ccc2c(c1)CCCN2[C@H]1CCC[NH2+]C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1OC(F)F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)C(C)(C)C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cc2ccccc2nc1Cl
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ncnc(N)c1C[NH+]1CCC(c2cnn(C)c2)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Clc1ccc(CNc2ncccc2Cl)cn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(CCOc1ccccc1)C(c1nnn(C[C@H]2CCCO2)c1)=O
### Response:
O=C(NCCOc1ccccc1)c1cn(C[C@H]2CCCO2)nn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(NC(=O)N(C)C(=C1C(=O)OCC=C)C)c1c(cccc1)I
### Response:
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2c(c1)[C@@]([NH3+])(Cc1cccs1)CCC2
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCNS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2cccc(OC)c2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(Br)cc2C[C@H]1C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1csc([C@@H](NC(=O)N2c3ccccc3C[C@H]2C)C2CC2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1Oc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccccc3Cl)c(C)cc2NC1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cnccn4)CC3)ccc21
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1OC1CCCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)CC(C)(C)C(=O)N(C)CCNS(C)(=O)=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC[C@@H]1[13*]
Fragment 2: [14*]c1nc(N)ncc1[16*]
### Response:
COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1[C@@H]([C@H](CC1)C(=O)NC[C@@H](c1c(cccc1F)F)O)C
### Response:
C[C@H]1OCC[C@@H]1C(=O)NC[C@H](O)c1c(F)cccc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1O[C@@H](C)C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CC[C@@H]1CCCN1C(=O)c1scnc1C1CC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C(C)(C)CC(C)C
Fragment 2: [5*]NC(C)C
### Response:
CC(C)CC(C)(C)C(=O)Nc1ccc(C(=O)NC(C)C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(C1)Oc1cc(C[NH2+]Cc2ccco2)ccc1
### Response:
c1cc(C[NH2+]Cc2ccco2)cc(OC2CCCC2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc2c(c1)Cc1ccccc1-2
Fragment 2: [5*][NH+]1CC[C@@]2(CCCN(C)C2=O)C1
### Response:
CN1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1c(C(=S)N)c(N[C@@H]2CCCc3ccccc32)ccc1
### Response:
NC(=S)c1c(F)cccc1N[C@@H]1CCCc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(Cl)c(NC(=O)c2cnc3ccc(cn3c2=O)C)cc1
### Response:
Cc1ccc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n2c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1C=CC[NH2+]1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(C[NH2+]CC)[C@@H](c2ccc(cc2)CC(C)C)OCCC1
### Response:
CC[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(CC(C)C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)SC)CCCO2
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1OC
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(C)c(C)cc1O
Fragment 2: [5*][NH+]1CCc2ccccc2C1
### Response:
Cc1cc(O)c(C[NH+]2CCc3ccccc3C2)cc1C |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=C(Cc1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NCCC1=CCCCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2c(c1)NC(=O)[C@H](C(=O)N1CCN(c3ccccc3F)CC1)O2
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CNC(=O)NCCc1cccnc1)C[NH+]1CCCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCN(C[C@H](C)C#N)c1ncnc2ccc(C)cc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[NH+](CC)[C@@H]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1ccccc1-c1noc(Cc2nnc(-c3ccc(Cl)cc3)o2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc2ccc(NC(=O)N3CCC[C@@H](C)CC3)cc2o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC)[C@H]1CC[NH+](Cc2nnc(C(C)(C)C)o2)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)[C@@H]2C=C[C@H]1C2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)on1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]1CCCCC[C@@H]1C[C@H]([NH2+]C[C@H](COC)C)C
### Response:
COC[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1ccncc1)NCc1cc(Cl)c2c(c1)OCCO2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(c2ccccc2)SC(NCc2c(C)csc2)=[NH+]C1
### Response:
Cc1cscc1CNC1=[NH+]C[C@@H](c2ccccc2)S1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1)S(=O)(=O)N(c1cccc(C)c1)CC(N1CC[NH+](CC1)C)=O
### Response:
Cc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[S@@](=O)Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)C(=O)Nc1ccccn1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCOCC1)NC(CCc1c([nH]c2ccccc21)-c1ccc(F)cc1)=O
### Response:
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NN1CCOCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(Cl)cn2c1nc(C(N1CCc3c(C1)nc(N(C)C)[nH]c3=O)=O)c2
### Response:
CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cn3cc(Cl)ccc3n1)C2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(Cl)cc1N[5*]
Fragment 2: [5*]N[C@H]1CCN(C)C1=O
### Response:
CCNC(=O)c1ccc(Cl)cc1N[C@H]1CCN(C)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cnc([C@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)s1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1F
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(c(c1)C)N1CCN(C(c2c(cc(cc2)Cl)OC)=O)CC1)C
### Response:
COc1cc(Cl)ccc1C(=O)N1CCN(c2ccc(C)cc2C)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)/C=C/NNC([6*])=O
Fragment 2: [16*]c1ccccc1O
### Response:
COc1ccc(C(=O)/C=C/NNC(=O)c2ccccc2O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COC(=O)[C@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CN(C)C[C@H](C)N1C(=O)CCC(F)(F)F
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(F)c1
Fragment 2: [5*]NCC(C)(C)O
### Response:
CC(C)(O)CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [9*]n1nc([14*])c2c(c1=O)CCCC2
### Response:
COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1ccc(N[C@@H]2C[C@H](C)N(c3ccccc3)C2)[nH+]n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1[NH2+]CCNC1=O
### Response:
COc1ccc(NC(=O)C[C@@H]2[NH2+]CCNC2=O)cc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCc1ccc(OCc2nc3cc(C)ccc3[nH]2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C(F)F)c2ccccc2nc1-c1ccc(cc1)[N-]S(=O)(=O)c1ccsc1C([O-])=O
### Response:
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(S(=O)(N[C@@H]2C=C[C@H](C2)C(=O)[O-])=O)cn(C)c(C(N)=O)c1
### Response:
Cn1cc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1C(N)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc([C@@H](C)NCCc2ccccc2)cs1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CN(c1ccc2sc(C(=O)N3CCOCC3)cc2c1)S(C)(=O)=O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2ccccc2cc1N[5*]
Fragment 2: [5*]N([5*])CCC
### Response:
CCCN(CCC)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1c(F)cccc1F
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
NC(=O)c1ccsc1NC(=O)CCSc1ncccc1Cl
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)nc1
Fragment 2: [5*]N1CCC[C@@H](CC)C1
### Response:
CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)nc2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[NH+]([5*])CC1
Fragment 2: [4*]Cc1ccc([S@](C)=O)cc1
### Response:
C[S@](=O)c1ccc(C[NH+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [5*]N[C@H](C)CCC(C)(C)C
### Response:
Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C)CCC(C)(C)C)cc2)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N(C)S(=O)(=O)c1cccs1
### Response:
C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [1*]C(=O)c1cc(C)nc2c1c(=O)[nH]n2C
### Response:
Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2c(=O)[nH]n(C)c2n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[NH+](C)[C@@H]1C[C@@H](C)CC[C@H]1C#N
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1[C@@H](C)CC(=O)N1CCCC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C1=C(O)C(=O)N([C@H]1c1ccc(c(OC)c1)O)c1sc(C)nn1)c1oc2c(c1)cccc2
### Response:
COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)ccc1O |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.