task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]S[C@H](C)CC
Fragment 2: [4*]C[C@H]([8*])[NH2+]C
### Response:
CC[C@@H](C)SC[C@@H]([NH2+]C)c1cscc1Br |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(C)nc([N+](=O)[O-])c1Br
Fragment 2: [8*]CCn1c(C)nc([N+](=O)[O-])c1Br
### Response:
Cc1nc([N+](=O)[O-])c(Br)n1CCN1C(=O)c2ccccc2C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C)c(O)c2)C1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CCCN([5*])C1
Fragment 2: [1*]C(=O)[C@@H](C)C[8*]
### Response:
COC(=O)N1CCC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(CNC(=O)c1ccc(Oc2nccs2)cc1)NC1CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Cl)ccc1Cl
Fragment 2: [6*]C(N)=O
### Response:
CC1(C)Cc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C(C)(C)[NH2+]1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC[C@H](NC(=O)C(=O)Nc1ccccc1F)c1ccc(OC)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCC1
Fragment 2: [1*]C(=O)CN[5*]
### Response:
Cc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCCCC3)CCC2=O)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cn(nc1-c1ccncc1)C)CN1CCOCC21CCC2
### Response:
Cn1cc(CN2CCOCC23CCC3)c(-c2ccncc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c2ccc(F)cc2c(c1C)CC(/N=c1/n2ccc(cc2n[nH]1)C)=O
### Response:
Cc1ccn2/c(=N/C(=O)Cc3c(C)[nH]c4ccc(F)cc34)[nH]nc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CCC[C@@H]1SC)NC(=O)N1CCC2(O[C@@H](C)CO2)CC1
### Response:
CS[C@H]1CCC[C@@H]1NC(=O)N1CCC2(CC1)OC[C@H](C)O2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H](NC[C@@H]1CSc2ccccc21)c1ccco1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNc1ncnc(NCc2ccc(C)cc2)c1[N+](=O)[O-]
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccccc1-n1nnnc1[C@H](N(C)Cc1cccc(c1)[N+](=O)[O-])c1ccccc1
### Response:
Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [16*]c1ccccc1
### Response:
CCOC(=O)N[C@H]1CCCN(CC(=O)NC2(c3ccccc3)CCC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@](C)([NH3+])CNCc1ccc(Cl)s1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cn([9*])nn1
Fragment 2: [1*]C(=O)c1cn(C[8*])nn1
### Response:
O=C(NCCOc1ccccc1)c1cn(C[C@@H]2CCCO2)nn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(N2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)NC3=O)CC2)c(C)c[nH+]1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@H]1CC[C@H]([NH3+])[C@H](N2CC[NH+]3CCC[C@@H]3C2)C1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1cc(CNC(=O)N2CCC[C@H]2CN2CCOCC2)cn1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1cccc(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCC[C@H](CNc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C)C(=O)Nc1cccc(CNS(=O)(=O)CC2CCC2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)[C@@](C)(C(=O)[O-])[C@@]12CC[C@@H]2C(=O)NCc1ccco1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(F)c([16*])c(F)c1
Fragment 2: [8*]CC[NH3+]
### Response:
[NH3+]CCc1cc(F)c(OC[C@@H]2CCOC2)c(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CNC(=O)NCc1cccc(C#N)c1)[NH+]1CCc2ccccc2C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc(S[C@H](C)C(=O)N2CCOCC2)n1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccnc1[14*]
Fragment 2: [5*]NCc1ccc([16*])cc1
### Response:
O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1cccnc1-n1ccnc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1OCCCNC(=O)c1cc(F)ccc1F
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(cc(C(=O)NC[C@H](C)Oc2ccccc2)n1CC)C(C)C
### Response:
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [4*][C@H]([8*])CCO
### Response:
CCn1cc(NC(=O)N[C@@H](CCO)c2cccs2)ccc1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CC[C@](C#N)(C2(O)CCOCC2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CCCc1ccccc1)C(=O)CC1(O)CCCC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@@H]1[13*]
Fragment 2: [16*]c1cccc(F)c1
### Response:
Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(NC1CCCC1)=O)C(=O)CNc1cccc(c1C)[N+]([O-])=O
### Response:
Cc1c(NCC(=O)NC(=O)NC2CCCC2)cccc1[N+](=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](O)C1)Cc1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NN1CCOCC1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@H](C)[NH3+]
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([16*])c(C=O)c1
Fragment 2: [16*]c1ccccc1
### Response:
CC[C@H](C)Oc1ccc(-c2ccccc2)cc1C=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Cl)c2c(c1)OCCCO2
Fragment 2: [5*]NCC[8*]
### Response:
O=C(NCCc1ccc2c(c1)OCO2)c1cc(Cl)c2c(c1)OCCCO2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC)c1ncnc(Cl)c1[N+](=O)[O-]
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1-c1c2c(n[nH]1)OC(N)=C(C#N)[C@@H]2c1c(OCCCC)cccc1
### Response:
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21 |
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*]NCCCC
### Response:
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(=O)c2cn(c(c(C#N)c2)=O)C(C)C)c(cc1)OCC(=O)Nc1ccc(c(Cl)c1)Cl
### Response:
CC(C)n1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C#N)c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Cc1cccc(F)c1)NC(=O)/C=C/C1CC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](CCC(=O)[O-])NC(=O)c1ccc(C[NH3+])o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)N1CCc2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3cnnc3c2C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H]1Cc2ccc(CC(C)C)cc2C(=O)N1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(=O)n2cc(C)sc2n1
Fragment 2: [11*]Sc1ccccc1[16*]
### Response:
Cc1cn2c(=O)cc(CSc3ccccc3C(=O)[O-])nc2s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN[5*]
Fragment 2: [9*]n1ncn(C)c1=O
### Response:
Cc1cccc(C(=O)NCC(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@@H]1C[C@@H](c2nc(C3CC3)no2)[NH+](Cc2c[nH]c3ccccc23)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
N#CCN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]1CCCCN1[5*]
Fragment 2: [1*]C(=O)N1CCCC[C@H]1C[4*]
### Response:
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccnc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc([14*])no1
Fragment 2: [5*]N1CCC[C@H]1[13*]
### Response:
Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(CCOC1)C(=O)N[C@@H]1C[NH2+]CC1
### Response:
O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCOC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(N[C@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(SCC(=O)Nc2c(cc(Cl)cc2)F)nn(-c2ccc(cc2)OC)c(cc1)=O
### Response:
COc1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3F)ccc2=O)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C[NH+]2C[C@H]3CC[C@@H]2CN(C)C3)c(OC)c1OC
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1coc(c1)C(=O)NNC(COc1c2c(ccc1)cccc2)=O
### Response:
O=C(COc1cccc2ccccc12)NNC(=O)c1ccco1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)c1ccc(Cl)cc1NCC(=O)NCc1ccccc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)CC(C)C
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(c1cncc(C[NH3+])n1)[C@H](C)COC
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])c1ccccc1
Fragment 2: [1*]C(=O)[C@@H]([4*])C
### Response:
COc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C[C@@H]1[15*]
Fragment 2: [8*]C(F)(F)F
### Response:
COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COC(=O)CNC(=O)CCc1ccc(F)c(F)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+]1(CCC(CC1)Cn1cc(nn1)CNC(N)=O)C[C@H](C)c1ccccc1
### Response:
C[C@@H](C[NH+]1CCC(Cn2cc(CNC(N)=O)nn2)CC1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(CS(=O)(CC2CCN(CC2)C(=O)OC(C)(C)C)=O)cn1)Cl
### Response:
CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)Cc2ccc(Cl)nc2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](CCl)CS(=O)(=O)N1CCc2ccccc21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=C/c1cccc([N+](=O)[O-])c1)/C=N/NC(N)=S
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([N+]([O-])=O)c(c(Cl)cc1)N1CCN(CC1)C(=O)/C=C/c1cc(c(cc1)Cl)[N+]([O-])=O
### Response:
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(F)c3)sc(=S)c2C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C[C@@H]1O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C(=C/c1ccc(SC#N)cc1)[N+](=O)[O-]
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O[C@H]1CSc2nc(-c3ccccc3)nn2C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc([16*])c1
Fragment 2: [5*]NC(=S)N([5*])C
### Response:
CC[C@H](C)Oc1cccc(C(=O)NC(=S)N(C)c2ccccc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(/N=C/c2ccc(Cl)c(Cl)c2)CCN1Cc1c(Cl)cccc1
### Response:
Clc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@@H]1C[NH+](Cc2ccccc2)CC1=O
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)c1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2C)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c2ccccc2c(c1)C[C@H](NC(C(C)C)=O)C(NCC(O)(C)C)=O
### Response:
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)(C)O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC[C@@H](CN(C(Cc1nc(N)sc1)=O)CC)C
### Response:
CC[C@H](C)CN(CC)C(=O)Cc1csc(N)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccc2c(c1)COC2)C(c1ccccc1)c1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)c1nc(-c2ccccc2Cl)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(C)nc2ccccc12
Fragment 2: [5*]Nc1cc(C)nn1[9*]
### Response:
Cc1cc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [4*]Cc1cc(N[5*])[nH]n1
### Response:
C[NH+](C)Cc1cc(NC(=O)[C@@H]2CO[C@H]3C=CC=C[C@@H]3O2)[nH]n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](c1c(S(=O)(=O)NCCc2ccccc2F)n(C)cn1)=O
### Response:
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)NCCc1ccccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2cc(Cl)ccc2o1
Fragment 2: [16*]c1cc(N)c(OC)c(N)c1
### Response:
COc1c(N)cc(-c2nc3cc(Cl)ccc3o2)cc1N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(N2CC[C@@H](N(Cc3noc(C(C)C)n3)C(C)=O)C2)C(OCC1)=O
### Response:
CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN([C@@H]2CCOC2=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1cc(F)cc(C(=O)NNC(=O)c2cc(Br)cn2C)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](c1ccc2c(c1)[nH]c([nH]2)=O)(C)N[C@@H]([C@@H](C)N1CCOCC1)C
### Response:
C[C@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccc2[nH]c(=O)[nH]c2c1 |
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