task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C1(C[NH3+])CCC(CC)CC1
Fragment 2: [5*][NH+](C)[C@@H](C)CC
### Response:
CCC1CCC(C[NH3+])([NH+](C)[C@@H](C)CC)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(sc1CN(C)C(=O)c1ccc(cc1)COC)Cl
### Response:
COCc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccc(F)cc2)CC1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Cc1ccccn1)CC(=O)N[C@@H]1C[C@H]([NH+](C)C)CC1
### Response:
C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCCc2ccccn2)C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1CN(C)C(=O)Nc1ccc(N2CCOC2=O)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)cc1[C@H](C)[NH2+]C1C(C)(C)C1(C)C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)c(C(OC(C)C)=O)c(NC(=O)/C=C/c2ccc3c(OCO3)c2)sc1C(=O)N
### Response:
Cc1c(C(N)=O)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[NH+](Cc2occc2)C[C@H](C1)COCC
### Response:
CCOC[C@H]1CCC[NH+](Cc2ccco2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CCCC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cn1ccc2cccnc21
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
O=C(NCC(=O)N1CCC(Cn2ccc3cccnc32)CC1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(oc1-c1ccccc1)cc([nH]2)C(N1CCC(C(=O)NCCc2ccccc2)CC1)=O
### Response:
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccnc(-n2nc(-c3ccccc3)nc2C2(C(N)=O)CC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C)c(C)c(CNC(=O)Nc2ccc(N(C)CCCC)cc2)cn1
### Response:
CCCCN(C)c1ccc(NC(=O)NCc2cnn(C)c2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCS1(=O)=O
Fragment 2: [12*]S(=O)(=O)c1ccc(F)c(Cl)c1
### Response:
O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(Cl)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)(C)[C@@H](CS)C[NH+]1CCN(c2ccccc2Cl)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [4*]CC(=O)[O-]
### Response:
CCCN(CC)C(=O)N(CC(=O)[O-])C(C)(C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1ccncc1NC[C@@H]1C[C@@]12CCc1ccccc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1c(Br)c(C)nn1CC
Fragment 2: [8*]CN1C[C@H]2C[NH2+]CCN2C1=O
### Response:
CCn1nc(C)c(Br)c1CN1C[C@H]2C[NH2+]CCN2C1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [1*]C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([13*])N2
### Response:
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)cc1)N2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CNC(=O)c1ccccc1)N[C@@H](CO)Cc1c[nH]c2ccccc12
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(O)c(C[NH+](C)Cc2cc(Br)cs2)cc1C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2ccccc21
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(S[11*])nc2c1c(=O)[nH]c(=O)n2C
Fragment 2: [16*]c1ccccc1
### Response:
CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)c2[C@@H](c3c(OC)cc(cc3)OC)c3c(n(c(=O)n(C)c3Nc2[nH]n1)C)=O
### Response:
COc1ccc([C@@H]2c3c(C)n[nH]c3Nc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1c(C(=O)NCc2ccccc2)cn(C)n1)C
### Response:
COc1nn(C)cc1C(=O)NCc1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(C)C
Fragment 2: [13*][C@@H]1NC(=O)C[C@@H]1[15*]
### Response:
Cc1c([C@H]2CC(=O)N[C@H]2CC(C)C)cnn1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)NCCC1=c2ccccc2=[NH+][C@@H]1/C=C1\C(=O)N(c2ccc(C)cc2)C(=S)N=C1[O-]
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(C(N[C@H]2C[C@H]2CCC)=O)[n+]1[O-]
### Response:
CCC[C@@H]1C[C@@H]1NC(=O)c1cccc[n+]1[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)NNC(=O)C(C)(C)CC(C)C
Fragment 2: [14*]c1ccc(C)s1
### Response:
Cc1ccc(C(=O)NNC(=O)C(C)(C)CC(C)C)s1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)CN(CC(F)(F)F)C(=O)c1cc(C#N)cs1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1c(ccc(C2CC([O-])C2)c1)OCCCC)C
### Response:
CCCCOc1ccc(C2CC([O-])C2)cc1OC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)o1)C2=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccc(C#N)c1
Fragment 2: [16*]c1cccc(C#N)c1
### Response:
N#Cc1cccc(OC[C@@H](O)C[NH+]2CCSCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ccc(-c2ccccc2)cc1Br)NC[C@@H]1CCCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)Oc1c2c(c(cc1)NC(NCCCCC)=O)cccn2
### Response:
CCCCCNC(=O)Nc1ccc(OC(F)F)c2ncccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1c2C[C@H](CCc2n(n1)C)NCc1oc(cc1)C)N1CCCCCC1
### Response:
Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCCC4)nn3C)C2)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1O[C@H](C)C[NH2+][C@@H]1C
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
C[C@@H]1C[NH2+][C@H](C)[C@H](c2ccc(Cl)cc2)O1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1c[nH+]c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(CN2CCOC2=O)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(COc2c(C1)cc(F)cc2)C(=O)N[C@H](c1ncccc1)c1ccccc1
### Response:
O=C(N[C@@H](c1ccccc1)c1ccccn1)[C@H]1COc2ccc(F)cc2C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCNC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@H]2CCCC[NH+]2CC2=CCCOC2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1CC[C@@H](C(=O)Nc2cccc3ccncc23)CN1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCNC3=O)cc12
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]CC#CC
Fragment 2: [5*][NH2+]C[C@H]1CN2CCC[C@@H]2CO1
### Response:
CC#CC[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(cc1)C(=O)OC)CNc1ccccc1CN1C[C@@H](C)O[C@@H](C1)C
### Response:
COC(=O)c1ccccc1CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1OC
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)C[C@@H](c1ccccc1C1CC1)C(C)(C)[NH3+]
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@@]1(CO)CCC[C@H](SC2CCCCC2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [14*]c1ccc(Cl)s1
### Response:
Cc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](OC(=O)c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCN1CCO[C@@H](C(=O)c2cccc3ccccc23)C1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCC[C@H]1C[NH+]1CCCCCC1)CC(=O)N(OC)C
### Response:
CON(C)C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCCC1
Fragment 2: [4*]C(C)(C)[C@H](N)C[8*]
### Response:
CC[C@@H](C)n1ccc(C[C@@H](N)C(C)(C)[NH+]2CCCCC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)CCO1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1cc(Cl)c(cc1)Cn1c2c(c(n(Cc3ncccc3)c1=O)=O)nccc2
### Response:
O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccccn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [11*]Sc1nc2ccccc2s1
### Response:
Cc1noc(C)c1[C@@H](C)NC(=O)CSc1nc2ccccc2s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1COC1CCN(C(=O)c2cccnc2OCC(C)C)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCC[NH+](CCC)[C@@H]1CCC(=O)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(-c2n[nH]c(n2)/N=C(/[C@H]2CN(C(=O)CC)CCC2)[O-])sc(c1)C
### Response:
CCC(=O)N1CCC[C@@H](/C([O-])=N/c2nc(-c3ccc(C)s3)n[nH]2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](O)CN(C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(F)C(=O)OCCNc1ncccn1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COC[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)Cn1ncc2cc(C(=O)N3CCOC[C@@H]3C(N)=O)cnc21
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(NC(COCC)=O)C(=O)Cc1cc(Br)c(cc1)F
### Response:
CCOCC(=O)NNC(=O)Cc1ccc(F)c(Br)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [16*]c1cccc(Cl)c1
### Response:
CCC[NH2+]C[C@@H](Cc1csc(C)n1)c1cccc(Cl)c1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1nnnc1COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C(=C/C(=O)N(C)C[C@H]1CC[NH+](C)C1)c1ccc(F)cc1F
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1SC
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCn1cc[nH+]c1CC(=O)[C@@](C)(CC)N1CCOCC1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)[NH3+]
Fragment 2: [5*]N1CC[C@]2(CC[C@H](CCl)C2)C1
### Response:
C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@H](CCl)C2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@H]1CN(Cc2ccccc2)c2ccccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC[NH+](C)C2)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccoc1)[NH+]1CCC[C@H](Cn2ccnn2)C1
### Response:
c1cn(C[C@H]2CCC[NH+](Cc3ccoc3)C2)nn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1cccc(c1)SC)CSc1nnc(n1C)-c1c(Cl)cccc1
### Response:
CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCn1cc(C(=O)Nc2ccc(Br)c(C)c2)c(=O)c2ccc(C)nc21
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CNC([C@H]2C(=O)N(CC2)c2ccccc2Br)=O)cc(ccc1)C(NC)=O
### Response:
CNC(=O)c1cccc(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCCCO)C(=O)C2
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CNC(c1ccc(CNS(c2ccc(cc2F)F)(=O)=O)cc1)=O
### Response:
CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(nn(C)c1)C(C)(C)C)C(=O)N([C@@H]1C[C@@H]([NH+](CC1)C)C)C
### Response:
C[C@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2C(C)(C)C)CC[NH+]1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C/C=C/c1ccccc1[N+](=O)[O-]
Fragment 2: [5*]N1C[C@H](C)OC[C@H]1C
### Response:
C[C@@H]1CO[C@@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)(F)c1cc(NC(C[C@H]2S/C(=N/N=C(/c3ccc(cc3)[N+]([O-])=O)C)NC2=O)=O)ccc1
### Response:
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC[NH+](C[C@@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+]1(CC2CC2)CCN(CC1)C[C@H](CC(C)C)C[NH3+]
### Response:
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=Cc1ccc(OCC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccs2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)[C@H](CNC(=O)NNc1cccnn1)CC
### Response:
CC[C@@H](CNC(=O)NNc1cccnn1)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Fc1ccc(C[NH+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN([5*])[5*]
Fragment 2: [4*]CCC
### Response:
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cncc(Br)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC#N
Fragment 2: [4*][C@H](C(=O)[O-])C(C)(C)C
### Response:
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([16*])ccc1C
Fragment 2: [15*]C1[C@@H](C)CCC[C@@H]1C
### Response:
Cc1ccc(C(N)=O)cc1NC(=O)NC1[C@@H](C)CCC[C@@H]1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc([C@@H](N)C(F)(F)C(F)F)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1cnn(C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1Cl)[C@H](O)C1CCN(C(=O)Nc2ccccc2)CC1
### Response:
O=C(Nc1ccccc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [1*]C(=O)[C@H]1C=C(C#N)O[C@@H]([13*])C1
### Response:
CCOC(=O)[C@H]1C=C(C#N)O[C@@H](c2ccc(C)cc2)C1 |
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