task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](CO)([NH3+])c1ccc(cc1)N(C)C
### Response:
CN(C)c1ccc([C@H]([NH3+])CO)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3n2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccnn1Cc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(O)c(c(=O)[nH]c(n1CCCC(C)C)=O)[C@H]1c2ccc(c(OC)c2C(=O)O1)OC
### Response:
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(CCCC(C)C)c(=O)[nH]c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC(=O)c2c(cccc2)NC([C@H](CCC)C)=O)nnc(s1)CC
### Response:
CCC[C@H](C)C(=O)Nc1ccccc1C(=O)Nc1nnc(CC)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Nc1ccc(c(N2CCCS2(=O)=O)c1)C)(=O)c1noc(C)c1
### Response:
Cc1cc(C(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)no1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [4*]CCC#N
### Response:
N#CCCN(C(=O)CSc1cc(C#N)ccn1)c1cccc(Cl)c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(C)n1c(C(=O)Nc2cccc(Cl)c2)cc2sccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cc(NC([C@@H](NC(c2nc[nH]c2-c2cnccc2)=O)Cc2ccccc2)=O)ccc1
### Response:
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nc[nH]c2-c2cccnc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)Br)[C@H](CC)NC(=O)c1ccc(=O)n(C)n1
### Response:
CC[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(Br)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(C(C)C)C([C@@H]1N[C@H](C)c1cc(F)cc(F)c1)=O
### Response:
CC(C)N1CC[C@@H](N[C@H](C)c2cc(F)cc(F)c2)C1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(N[5*])c1
Fragment 2: [1*]C(=O)C1=Cc2cc(OC)ccc2OC1
### Response:
COc1ccc2c(c1)C=C(C(=O)Nc1cccc(NC(=O)C(C)C)c1)CO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)S(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)CC1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#Cc1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CC#N)N(CC(=O)N1CCCC[C@H]1C)Cc1occc1
### Response:
C[C@@H]1CCCCN1C(=O)CN(CCC#N)Cc1ccco1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCCNC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1nn2cccnc2n1)(=O)Nc1cc(Cn2cc(cn2)Br)ccc1
### Response:
O=C(Nc1cccc(Cn2cc(Br)cn2)c1)c1nc2ncccn2n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)Oc1cccc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1c(cccc1)OC)[C@H]1CC(=O)N(c2cc(cc(C)c2)C)C1
### Response:
COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C2(C(=O)Nc3ccc(C)c(F)c3)CCOCC2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(OC)[C@H]1[NH+](Cc2cccc(c2)O)CCC1
### Response:
COC[C@@H]1CCC[NH+]1Cc1cccc(O)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)C[C@H]1CCCCCN1C(=O)N1CCCCCC1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nc1N1CCCC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)[O-])c1ccccc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CC[C@@H]([NH2+][C@H]2CN(C(=O)C)CC2)C)CC1
### Response:
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](CO)NC(=O)C(=O)Nc1c(C)cc(C)cc1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(C(=O)NC2CC2)cc1NC(N1CCN(c2cc(C)[nH+]c(n2)C)CC1)=O
### Response:
Cc1cc(N2CCN(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)nc(C)[nH+]1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(NCc2nccn2Cc2ccccc2)ccc1F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2)cs1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC(=S)N[5*]
Fragment 2: [3*]Oc1cccc([16*])c1
### Response:
Cc1ccccc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Cc1csc(NC(=O)c2cnccn2)n1)Nc1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [1*]C(=O)C[8*]
### Response:
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC2(O)CCCCC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc1NC(C)=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(CCCCOc2ccc(Br)cc2Cl)C[C@H](C)O1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
N#CCCN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+]1(CC=C(CC1)c1ccc(cc1)OC)[C@H](C)c1oc(nn1)C
### Response:
COc1ccc(C2=CC[NH+]([C@H](C)c3nnc(C)o3)CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(OC)c3)C2=O)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCc1ccccn1
Fragment 2: [3*]Oc1ccc(C[7*])cc1
### Response:
CCc1onc(C)c1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)N1CCC(N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)NCCCCCC(=O)[O-]
### Response:
6 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCCN[C@]1(C#N)CCC[C@H](Sc2ccccc2C)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(N[5*])c1
Fragment 2: [4*]Cc1ccco1
### Response:
Cc1ccoc1C(=O)Nc1cccc(COCc2ccco2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](CNC(=O)N1C[C@H]2CCCC[NH+]2C[C@@H]1C)C(=O)[O-]
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)c1cc(CC(=O)N2CCN3CCNC(=O)[C@H]3C2)cs1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCc1nn(C)cc1NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1O
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1c(N)nc2cc(C(=O)N3CCC(c4cc[nH]n4)CC3)cnc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC1n1c(Sc2nc(cnc2)SCC)nnc1[C@@H]1CCC[NH2+]C1
### Response:
CCSc1cncc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)n1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)NC(=O)c1ccc(OCc2nc(-c3ccco3)cs2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCN(CC(F)(F)F)c1ccc([C@H](C)[NH2+]C)c(O)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(=O)(c1c2c(ccc1)cccn2)(NCC1CCC(C(Nc2ccc(C(C)C)cc2)=O)CC1)=O
### Response:
CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CCC[NH+](Cc2nc(-c3ccsc3)no2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCC(=O)[O-]
Fragment 2: [8*]CCC(F)(F)F
### Response:
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(F)(F)(c1ccc(c(c1)NC(=O)COC(C1CCC1)=O)N1CCCCC1)F
### Response:
O=C(COC(=O)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [1*]C(=O)[C@@H]1CCOc2ccccc21
### Response:
O=C([C@@H]1CCOc2ccccc21)N1CCCCC[C@@H]1c1ccco1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@H]1S/C(N(C(=O)C1)CC)=N\c1ccc(Br)cc1)Nc1c(cccc1)OC
### Response:
CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2OC)S/C1=N\c1ccc(Br)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)N1CCN(Cn2nc(-c3ccco3)n(C)c2=S)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@@H]1Oc2ccc(NC(=O)OCc3ccccc3)cc2CN([C@H](C)CC)C1=O
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1cc(CN(C)c2ccc3nnc(C)n3n2)ccc1OC(F)F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)c(F)cc1F
Fragment 2: [8*]CC[C@@H]([8*])[NH2+]C
### Response:
C[NH2+][C@@H](CC[C@@H]1CCCCO1)c1cc(C)c(F)cc1F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cc(C)nc([14*])n1
Fragment 2: [14*]c1ccccn1
### Response:
Cc1cc(N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)nc(-c2ccccn2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ccc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@@H]1CCC[C@H]1CCN1CCOCC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H]([C@H](CCN2C[C@@H](C)OC[C@@H]2CC)C1)[NH2+]C
### Response:
CC[C@H]1CO[C@H](C)CN1CC[C@@H]1CCC[C@@H]1[NH2+]C |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCc1cnc(CCNC(=O)/C=C/c2cc3ccccc3o2)s1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](NC(C(C)C)=O)(C)c1n2c(nn1)CC[NH+](Cc1ccc(cc1)F)CC2
### Response:
CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[NH+](Cc1ccc(F)cc1)CC2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@]([8*])(C)CC
Fragment 2: [16*]c1ccccc1
### Response:
CC[C@](C)(C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)C[C@@H]1c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1CCCCC1
Fragment 2: [5*]Nc1ccc([14*])nc1
### Response:
Cc1nccn1-c1ccc(NC(=O)C(=O)NC2CCCCC2)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2ncccc2C1
Fragment 2: [1*]C(=O)C[C@@H]1CCc2ccccc21
### Response:
O=C(C[C@@H]1CCc2ccccc21)N1CCc2ncccc2C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
[NH3+]CCOCC(=O)Nc1ccc2c(c1)OCCO2
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2C(C)(C)N1C(=O)CCl
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(S(=O)(=O)/N=C([O-])/C(C#N)=C\c2ccco2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2COc3ccccc3O2)c1C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CCN(C(=O)c2csc(C(C)C)c2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCc1ccc(Cl)s1
Fragment 2: [3*]OCC
### Response:
CCO[C@@H](C)c1nc(C(=O)OCc2ccc(Cl)s2)cs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC([15*])CC1
Fragment 2: [15*][C@@H]1CS[C@@H](C)C1
### Response:
CC(C)[NH+]1CCC(N[C@@H]2CS[C@@H](C)C2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(Br)c2c(c1)[C@@H]([NH2+]C)CCC2
Fragment 2: [3*]OCC
### Response:
CCOc1cc(Br)c2c(c1)[C@@H]([NH2+]C)CCC2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H]1C[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cn2)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)CCC([C@@H]([NH3+])c2cscc2Br)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(/C=C/SCc1ccco1)N[C@H](CO)c1ccco1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccoc1CS/C=C/C(=O)N[C@H]1C[C@H]([NH+](C)C)CCC1
### Response:
C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/SCc2ccco2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(/C(=C\C(N2C[C@H](COC)OCC2)=O)C)ccc1)OC(F)F
### Response:
COC[C@H]1CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C)C)(=O)c1c(F)ccc(NC(N(C[C@@H](CC)C)CC)=O)c1
### Response:
CC[C@@H](C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [4*]Cc1nc([14*])oc1C
### Response:
COC(=O)Nc1ccc(OCc2nc(-c3cccs3)oc2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [15*][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12[15*]
### Response:
CC1(C)C[C@H](NS(=O)(=O)c2ccccc2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H]1c1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC12CC3CC(CC(C3)C1)C2
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1cccs1
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CC[NH2+][C@H]1C1CC1)Cc1cc(O)ccc1
### Response:
Oc1cccc(CN2CC[NH2+][C@@H](C3CC3)C2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1Cl)[C@H](NC(=O)CN1C([C@](NC1=O)(c1ccc2CCCc2c1)C)=O)C
### Response:
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1C[C@H](C)C[C@@H](C)C1
Fragment 2: [5*][NH+]1CCN(CC)CC1
### Response:
CCN1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 |
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