task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@H](O)c3ccccc3)no2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [16*]c1cc(C)ccc1OC
### Response:
COc1ccc(C)cc1CC(=O)N1CC[NH+](C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(OC)nn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CC[C@@H](C1)NC(=O)NCCC(Nc1ccc(C)cc1Cl)=O)[NH+](C)C
### Response:
Cc1ccc(NC(=O)CCNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH2+]C[C@H](CC1)NC(=O)c1c(C)cccc1
### Response:
Cc1ccccc1C(=O)N[C@H]1CCC[NH2+]C1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccsc1[C@H](C)N[C@H]1CCN(c2cccc[nH+]2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+]CC[NH2+][C@@H]1CCO[C@]2(CCSC2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](CN(C)c1ncnc2c1c(Br)nn2C)c1ccccc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc([C@@H](O)Cc2ccc(C)c(C)c2)ccc1Cl
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)F
Fragment 2: [5*]NCc1cccc([16*])c1
### Response:
O=C(NCc1cccc(OC(F)F)c1)NC[C@H](O)c1ccc2ccccc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1[16*]
Fragment 2: [1*]C(=O)c1cccnc1[14*]
### Response:
CN(C)c1ncccc1C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H]([8*])c1cccc([16*])c1
Fragment 2: [5*]N[C@@H]([8*])c1cccc([16*])c1
### Response:
O=C(NCc1ccc(O)cc1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1c(C)n(C)n([9*])c1=O
Fragment 2: [5*]Nc1ccc(Cl)cc1C
### Response:
Cc1cc(Cl)ccc1NCc1c(C)n(C)n(-c2ccccc2)c1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1N[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CS1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(C)(C)CCCCC
Fragment 2: [5*]Nc1cccc[nH+]1
### Response:
CCCCCC(C)(C)CNc1cccc[nH+]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(C)C
Fragment 2: [5*]N1CCC[C@@H]2C[NH+]([5*])CC[C@H]21
### Response:
COc1cc(C[NH+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1OC(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CS(=O)(CC1)=O)N(Cc1ccc(cc1)F)C(=O)c1sc2c(ccc(c2)Cl)c1Cl
### Response:
O=C(c1sc2cc(Cl)ccc2c1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H](CS1(=O)=O)Nc1c(c(F)c(cc1)C(=O)[O-])F
### Response:
O=C([O-])c1ccc(N[C@@H]2CCCS(=O)(=O)C2)c(F)c1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)c(OC)c1
Fragment 2: [14*]c1nc2ccc(C)cc2s1
### Response:
COc1ccc(Nc2nc3ccc(C)cc3s2)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCN[5*]
Fragment 2: [5*]Nc1ncccc1C#N
### Response:
N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(Cl)cc1F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(O)c(C[NH+](C)[C@@H](C)Cc2cccs2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(CNC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccncc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc([C@H](C)N2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)o1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(C[C@H]1CCOC1)C(=O)c1cc(C)n(-c2ccc(OC)cc2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CC[C@@H]([NH+]2CCCN3CCCC[C@@H]3C2)C[C@@H]1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nc([14*])c2c(C)onc2c1=O
Fragment 2: [16*]c1cccc(OC)c1
### Response:
COc1ccc(-c2nn(Cc3cccc(OC)c3)c(=O)c3noc(C)c23)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)c(S(=O)(=O)N[5*])c1
Fragment 2: [16*]c1ccc(Br)cc1
### Response:
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cncn1
Fragment 2: [1*]C(=O)CCO[3*]
### Response:
O=C(CCOc1ccccc1)Nc1cccc(Cl)c1-n1cncn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1ccc(NC(=O)c2cnc3ccoc3c2)cc1)Nc1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CC([O-])=O)CNC(N(CC)CC(O)(C)C)=O
### Response:
CCN(CC(C)(C)O)C(=O)NCCCC(=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH2+]Cc1cccc2cccnc12)c1ccc(Cl)s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(c1cc(O[C@@H]2CC[C@@](C2)(CO)[NH2+]C)c(cc1)C)C
### Response:
C[NH2+][C@]1(CO)CC[C@@H](Oc2cc(C(C)C)ccc2C)C1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1-c1ccccn1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc2ccc(OC(=O)c3cccnc3N3CCCCC3)cc2c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(ccc1)N(CC2)C(c1c(nccc1)NCC[NH+](C)C1CC1)=O
### Response:
C[NH+](CCNc1ncccc1C(=O)N1CCc2ccccc21)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(SCc2ccc(cc2)C)n(C/C=C(/C)Cl)c2c(n1)n(c([nH]c2=O)=O)C
### Response:
C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[4*]
Fragment 2: [11*]Sc1nnc(CC)n1N
### Response:
CCc1nnc(SCCC(=O)Nc2cc(Cl)ccc2Cl)n1N |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCNC(=S)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(NC[C@H](O)c1ccc(Cl)cc1)NC(C1CC1)C1CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(=O)c1ccc2nc(N)sc2c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1cc(Br)cc1C(=O)Nc1cc(Cl)c(Cl)cn1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [16*]c1cccc(F)c1
### Response:
O=C(CCc1cccc(F)c1)NC[C@H]1C[C@]12CCc1ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](C)C(=O)N(C)OC
Fragment 2: [10*]N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2
### Response:
CON(C)C(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(CN[C@H](c1ccccc1Cl)C)Nc1ccc(N2CCOCC2)cc1
### Response:
C[C@H](NCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(Cl)c(C(=O)Nc2n3c(cccc3)nn2)c1)F
### Response:
O=C(Nc1nnc2ccccn12)c1ccc(F)cc1Cl |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cn1ccnc1S(=O)(=O)CC(=O)N1CCC[C@H]1c1cccs1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN(Cc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(N(C)C(/C=C/c2ccnc3ccccc23)=O)ncc(Cl)cc1
### Response:
CN(C(=O)/C=C/c1ccnc2ccccc12)c1ccc(Cl)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nnnc1C
Fragment 2: [16*]c1cccc(F)c1
### Response:
CCN(Cc1ccccn1)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1ccc(N[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1occc1C
Fragment 2: [14*]c1occc1C
### Response:
Cc1ccoc1[C@H](C)[NH2+]Cc1cccc(Br)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[NH2+]Cc1ccc(N(C)C[C@H]2CCC[NH+]2C)nc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [1*]C(=O)C[4*]
### Response:
COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2OC)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cccc(Cl)c1Cl
Fragment 2: [5*]Nc1ccc2c(c1)NC(=O)CO2
### Response:
O=C(/C=C/c1cccc(Cl)c1Cl)Nc1ccc2c(c1)NC(=O)CO2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CSC[C@@](C)(O)CNC(=O)c1c(C)nc2ccccn12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C1CN(C(=O)COC(=O)c2ccccc2O)c2ccccc2N1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCCCS[C@H](C)c1cccc([N+](=O)[O-])c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc([nH+]1)N1CCN(C(Nc2ccccc2Br)=O)CC1
### Response:
O=C(Nc1ccccc1Br)N1CCN(c2cccc[nH+]2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1)CC[NH+](C)Cc1c([nH]c2ncccc12)[C@@H]1CCC[NH2+]C1
### Response:
C[NH+](CCc1ccccc1)Cc1c([C@@H]2CCC[NH2+]C2)[nH]c2ncccc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COCCOC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@](O)(CNC(=O)Cn1c(C2CC2)nc2ccccc21)CN1CCOCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [12*]S(=O)(=O)c1ccc([16*])c(Br)c1
### Response:
CCOc1ccc(S(=O)(=O)Nc2c[nH]nc2C)cc1Br |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3)c3cccc(F)c3)cn12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(c1cn(nc1CC)C)NC[C@H]1SCCC1
### Response:
CCc1nn(C)cc1C(=O)NC[C@@H]1CCCS1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccccc1CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CCCC[NH+]1[5*]
Fragment 2: [4*]Cc1cccnc1
### Response:
C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1)C2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc(OC)cc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(S([12*])(=O)=O)ccc1C
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1c(F)c(F)c(F)c(F)c1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCN1C(=O)CSC1=S
Fragment 2: [10*]N1C(=O)CSC1=S
### Response:
O=C1CSC(=S)N1CCN1C(=O)CSC1=S |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Br)cc1CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#C[C@H](C(=O)c1ccccc1Cl)C1[NH+]=c2ccccc2=[NH+]1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@@H](C(=O)[O-])[NH+]1CCN2CCCC[C@@H]2C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1CO
Fragment 2: [5*]N1CCCc2cc(C)ccc21
### Response:
Cc1ccc2c(c1)CCCN2c1ccc(F)cc1CO |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2CCCn2cc[nH+]c2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1OC
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN[C@]1(C(=O)OC)CC[C@@H](Sc2nc(C)c(C)c(C)n2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(Cl)c(Cl)c1
Fragment 2: [1*]C(=O)[C@H](C)O[3*]
### Response:
CCS(=O)(=O)CCN(C)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(=O)NC
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CNC(=O)Cc1ccc(NC(=O)CCCNC(C)=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1csc([14*])n1
Fragment 2: [1*]C(=O)N1CCc2nn(C)c(=O)cc2C1
### Response:
Cn1nc2c(cc1=O)CN(C(=O)NCc1csc(C3CC3)n1)CC2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COCCN1[C@H](C)CN(C(=O)C[NH+](C)C2CC2)C[C@@H]1C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])c1ccccc1
Fragment 2: [5*]N(C)C
### Response:
Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C)nc(n(c1=O)C(C)C)[C@@H]1CCCN(C1)C(c1cc(N(C)C)ccc1)=O
### Response:
CC(C)n1c([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)nn(C)c1=O |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCCc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(C)n1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC(F)(F)F
Fragment 2: [5*]Nc1cccnc1
### Response:
O=C(Nc1cccnc1)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccoc1
Fragment 2: [8*]C[C@H]([8*])Cl
### Response:
Cc1cccnc1C[C@@H](Cl)c1ccoc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(CN2CCN3C(=O)NC[C@@H]3C2)cc(C)c1OC(F)F
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cccc2c1CC[C@H]2NC(=O)NCCC(F)(F)F
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)c1nn(C)c(N2CCOCC2)c1CN1CCN(C(=O)[C@H]2C[C@H]2C)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1[C@H](O)CO
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)OCCC(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccc(OC(F)(F)F)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CNc1n2ncnc2nc(c1C)C)c1cc(ccc1)C(N(C)C)=O
### Response:
Cc1nc2ncnn2c(NCCc2cccc(C(=O)N(C)C)c2)c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(c(N)c(nc1)N1CCN(CC1)c1cccc(c1)Cl)Oc1c(OC)cccc1
### Response:
COc1ccccc1Oc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1N |
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