task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a ether group?
CN1C[C@@H](c2nc3ccccc3n2CCCOc2cccc3ccccc23)CC1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](O)CCCS(C)(=O)=O
Fragment 2: [4*]CCC
### Response:
CCCN1CCO[C@@H]([C@H](O)CCCS(C)(=O)=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [5*]Nc1ccc(C)cc1
### Response:
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)(C)OC(=O)N1CCc2ncn(Cc3cc(F)c(F)c(F)c3)c(=O)c2C1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCCOc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CSc1ncn[nH]1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1F
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC[C@@H]1C(N)=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NCC)(=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC
### Response:
CCNC(=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1c2c(O[C@H]1CNC(c1ccccc1OC)=O)c(ccc2)F
### Response:
COc1ccccc1C(=O)NC[C@H]1Cc2cccc(F)c2O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2c(C)nn(C)c2s1
Fragment 2: [5*]N1C[C@@H](C)CC[C@H]1C
### Response:
Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH+](CCn2c(=O)ccc(c2)[N+](=O)[O-])[C@H](CC1)c1cc(cc(C)c1)C
### Response:
Cc1cc(C)cc([C@H]2CCC[NH+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cc(OC)c([16*])cc1OC
Fragment 2: [5*]N(C)C
### Response:
COc1cc(N(C)C)c(OC)cc1C=C1C=CC=C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CON(C)C(=O)CN1CCCC[C@@H]1c1[nH]cc[nH+]1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(=O)[C@H](S(CCC)(=O)=O)C)CC[C@@H](C(N)=O)c2ccccc12
### Response:
CCCS(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)CSc2nc(=O)ccn2C2CC2)c(Cl)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](O)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C/C(=N/NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(C)s2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(-c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc(OC)c1OC
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCCC1N(C)C(=O)[C@@]1(Oc2ccccc2NC1=O)C
### Response:
CN(C(=O)[C@]1(C)Oc2ccccc2NC1=O)C1CCCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCCc1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(OC)c(S(N)(=O)=O)s1
Fragment 2: [5*]Nc1cc(CC)ccc1CC
### Response:
CCc1ccc(CC)c(NC(=O)c2cc(OC)c(S(N)(=O)=O)s2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1C[C@H]([NH+]2CC[C@H](S(=O)(=O)NC3CC3)C2)CC(C)(C)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Clc1ccc(-c2cnc(CSc3ncccn3)o2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccnc1
Fragment 2: [14*]c1sc2c(c1[16*])CCCC2
### Response:
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
c1ccc(Nc2nnc(C[n+]3ccccc3)s2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n12nc(nc2NC2CCCC(C=2[C@@H]1c1ccc(OC)cc1)=O)SCc1ccc(cc1)[N+]([O-])=O
### Response:
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N([C@@H](C(=O)Nc2cccc(c2)F)C)CC[NH+](C[C@H]2CCC=CC2)C1
### Response:
C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(nc(no1)CC)C(C)(C)C(=O)OCC
### Response:
CCOC(=O)C(C)(C)c1nc(CC)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1sc(C)nc1C
Fragment 2: [4*]CCC[8*]
### Response:
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2Cl)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CCN(C(=O)c2ccccc2NC(=O)[C@H](C)c2ccsc2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC
Fragment 2: [1*]C(=O)c1ccc2c(c1SC)C(=O)c1ccccc1C2=O
### Response:
CCNC(=O)c1ccc2c(c1SC)C(=O)c1ccccc1C2=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](C(=O)Nc1ccccc1Cl)n1cc(Br)cn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ncc(Cl)n1C
Fragment 2: [5*]N(C)C[8*]
### Response:
CCc1ccc(CN(C)C(=O)C[S@@](=O)Cc2ncc(Cl)n2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cn[nH]c1
Fragment 2: [4*]Cc1cccc([16*])c1
### Response:
c1ccc(-c2cccc(C[NH+]3CCC[C@H](c4cn[nH]c4)C3)c2)nc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccccc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
OC1[C@H]2OC3(CCCCC3)O[C@@H]2C(O)[C@@H]2OC3(CCCCC3)O[C@H]12
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@]1(Cc2sccc2Br)CCCCC[NH2+]1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1noc(C)c1[C@H](C)NC(=O)CCc1nncn1-c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCC1(Sc2ccccc2)CC1)N1CCN(Cc2ccncc2)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C)cc1NC(=O)CCn1cnc2sc(C)cc2c1=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(cc1C)[C@@]1(C(N2)=O)[C@H]2[C@H](C(N(C2=O)c2c(cc([N+](=O)[O-])cc2)C)=O)[C@@H]2[NH+]1CCC2
### Response:
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[NH+]21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [1*]C(=O)C[8*]
### Response:
CNc1nc([C@H]2CCCN(C(C)=O)C2)[nH+]c2c1CN(C(=O)Cc1ccc(C)c(C)c1)CC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CCOc2cccc(NC(NCc3ccccc3C[NH+](CC)CC)=O)c12
### Response:
CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc2c1OCCO2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)C(=O)[O-]
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [5*]Nc1cc(C)nn1[9*]
### Response:
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2F)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#CCCCC(=O)c1ccccc1I
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(=O)NNc1cccc(F)c1F
Fragment 2: [16*]c1cn(CC)c2ccccc12
### Response:
CCn1cc(CC(=O)NNc2cccc(F)c2F)c2ccccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCN1C(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2C1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Cl)cc(Cl)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccccc2)CCN(C)C1=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1O[C@H]2[C@@H](N1c1ccc(cc1)OC)c1cccc3cccc2c31
### Response:
COc1ccc(N2CO[C@@H]3c4cccc5cccc(c45)[C@@H]32)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C(=O)/C(C#N)=C1\Nc2ccccc2S1
Fragment 2: [11*]Sc1nncn1C
### Response:
C[C@H](Sc1nncn1C)C(=O)/C(C#N)=C1\Nc2ccccc2S1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCC[C@@H](C)[NH+]1CCN(c2ncnc3sccc23)CC1
### Response:
6 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(N2CCCC2)nc(C[C@@H]2CCCO2)c1C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](CO)NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)CN(Cc1cc(C(N)=O)cs1)C1CCOCC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([14*])nn1C
Fragment 2: [4*]C[C@@H]1CCC[C@H](C)C1
### Response:
COCCc1cc(NC[C@@H]2CCC[C@H](C)C2)n(C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc([16*])cc1
Fragment 2: [16*]c1ccccc1Cl
### Response:
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2Cl)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C)C(=O)N12)C(=O)Nc1ccccc1OC
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)N1CCC([NH2+][C@H]2C(C)=C(C)C(=O)N2[C@@H]2CCCc3ccccc32)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(NC1CCC(Nc2snc(CC)n2)CC1)(=O)C
### Response:
CCc1nsc(NC2CCC(NS(C)(=O)=O)CC2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1cnn(-c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c1=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)Oc1ccc(F)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H]1CCOC1
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(C2CCCC2)C(=O)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(oc1)CNC(=S)Nc1cc2c(cc1)[nH+]c(N1CCN(C)CC1)cc2C
### Response:
Cc1cc(N2CCN(C)CC2)[nH+]c2ccc(NC(=S)NCc3ccco3)cc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CO[C@@]1(C)C[C@H](NC(=O)NCc2ncc(-c3ccccc3)o2)C1(C)C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1nc(O)c2c1NC1=C(C(CCC1)=O)[C@@H]2c1ccccn1
### Response:
O=C1CCCC2=C1[C@H](c1ccccn1)c1c(O)n[nH]c1N2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1c([16*])cccc1Cl
Fragment 2: [4*]C[C@H]1CCC[C@H]1O
### Response:
C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@H]2CCC[C@H]2O)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1cccnc1Cl
Fragment 2: [5*][NH2+][C@H]([8*])CO
### Response:
C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)c1cccnc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [1*]C(=O)CC[8*]
### Response:
CN(C[C@H]1CCC[NH+]1C)C(=O)CCC1CC[NH2+]CC1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COc1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1OC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CS(=O)(=O)c1cccc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC[C@H](C)C(=O)NC[C@@H](C)c1ccc(F)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC[C@](C)(O)C(C)C)(=O)[C@@H]([C@@H](CC)C)c1ccccc1
### Response:
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCN1CCO[C@H]([C@H](O)Cc2cc(C)cc(C)c2)C1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1cc(F)c(N[C@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1c[nH]c2nccc(Cl)c12
Fragment 2: [4*]C[C@@H](O)COC
### Response:
COC[C@H](O)CNS(=O)(=O)c1c[nH]c2nccc(Cl)c12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@]1([NH3+])CCOC1
Fragment 2: [5*]N[C@@H](CO)C(C)C
### Response:
CC(C)[C@H](CO)NC(=O)[C@@]1([NH3+])CCOC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@@H]1CN(c2nc(C)nc3[nH]ccc23)CCO1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](CN(CC1)S(=O)(=O)c1c(cc2c(O[C@H](C)C(N2)=O)c1)C)C(=O)Nc1ccc(cc1)OC
### Response:
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)N/N=C/c2cccs2)ccccc1NC(=O)c1occc1
### Response:
O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccco1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCC[C@]1(CC)CC(=O)NC(=O)[C@H]1c1ccccc1Br
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1c([16*])cnc2ncnn12
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(-c2nc(CN3CC[C@@]4(CCCO4)CCC3=O)c(C)o2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc2ccc([16*])cc2s1
Fragment 2: [4*]C(CC)CC
### Response:
CCOc1ccc2nc(NC(CC)CC)sc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c(C(=O)N/N=C/c2ccc(C)o2)ccc2ccccc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]NC[C@@H]1CCCN([5*])C1
### Response:
O=C(NC[C@@H]1CCCN(C(=O)C[NH+]2CCc3ccccc3C2)C1)c1ccco1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc(NC(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c(OC)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1nc(C)cc1C(=O)N1C[C@@H](C)CC[C@H]1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(c2cc(ccc2)NC(=O)C[C@H](O)c2ccccc2)CCCCC1
### Response:
O=C(C[C@H](O)c1ccccc1)Nc1cccc(N2CCCCCC2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nnc2n1CCCC2
Fragment 2: [5*]N1CC[C@]2(CCCN(C[8*])C2=O)C1
### Response:
O=C(c1nnc2n1CCCC2)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 |
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