task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(C)c(F)c(C)c1
Fragment 2: [5*]NCC(=C)Cl
### Response:
C=C(Cl)CNCc1cc(C)c(F)c(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@@H](NC(=O)[C@H](C)c1ccsc1)c1ccc(N2CCOCC2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N/C(=N\[N+](=O)[O-])N/N=C/c1ccc(Cl)cc1Cl
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1c(OC)cc(OC)cc1OC
Fragment 2: [5*][NH2+]C1CC1
### Response:
COc1cc(OC)c(/C=C(/C)C[NH2+]C2CC2)c(OC)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(C(=O)N2C[C@@H](O[C@@H](C)C2)C)c1)NCc1nc(no1)-c1cc(ccc1)C
### Response:
Cc1cccc(-c2noc(CNc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C#CCN1CCN(C(=O)NC2CCN(C(=O)OCC)CC2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](C)[NH2+]C
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CC(F)(F)F)c1ccc([C@H](C)[NH2+]C)c(O)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c2ncccc2c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1nnc2ccc(-c3ccco3)nn12)c1cccs1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1cc([C@H]2N(CCC2)C(Cc2c(CC)noc2CC)=O)ccc1)(C)C
### Response:
CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1[C@@H](C(N/N=C/C=C/c2ccccc2)=O)C=C(C2CC2)N=1
### Response:
O=C(N/N=C/C=C/c1ccccc1)[C@H]1C=C(C2CC2)N=N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@H]1CCC[C@H](C)C1
Fragment 2: [4*]C[C@@H]([8*])O
### Response:
C[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)C1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCc1ncc(CN(C)c2cnccc2C#N)s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Clc1ccc(-c2csc(CN3CCOCC3)n2)c(Cl)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1ccc[nH]c1=O)N1C[C@H]2CC[C@@H]1C[NH+](CCCc1ccccc1)C2
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1c2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3c(nnc3)c2CN(C(C)C)C1
### Response:
CC(C)N1CCc2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3cnnc3c2C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C(=O)CCC(=O)Nc2ncccc2C)cc1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1nc2c(Cl)cccc2s1)c1ccno1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CCC(=O)N1C[C@H](C)O[C@@H](C)C1
### Response:
5 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC/[NH+]=C(/NCc1ccc(C#N)cc1)N[C@@H]1CCN(c2ccccc2)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC[C@H](C)NC(=O)c1cc(Br)ccc1OC(C)C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCc2ccccc21
Fragment 2: [1*]C(=O)c1cccc(S([12*])(=O)=O)c1
### Response:
C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](SCC[NH3+])c1ccc(C(=O)[O-])o1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)N1C[C@H](n2cc[nH+]c2)CCC1)n1c2ccccc2oc1=O
### Response:
O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1)CCNC(=O)CN1C(CCC1=O)=O
### Response:
O=C(CN1C(=O)CCC1=O)NCCc1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccsc1
Fragment 2: [5*]NS(=O)(=O)c1ccc(F)c(F)c1F
### Response:
O=S(=O)(NCc1ccsc1)c1ccc(F)c(F)c1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(C[NH3+])cn1
Fragment 2: [5*]N1C[C@H]2CCC[NH+]2C[C@@H]1C
### Response:
C[C@H]1C[NH+]2CCC[C@@H]2CN1Cc1ccc(C[NH3+])cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(N(C)C)=O)cnc1N1C[C@H]([C@H](c2ccc3c(c2)cccc3)CC1)O
### Response:
CN(C)C(=O)c1ccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C#CCNC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cnc([C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C2CC2)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(Cl)s1
Fragment 2: [11*]Sc1ccc(C)cc1N
### Response:
Cc1ccc(SCc2ccc(Cl)s2)c(N)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1cc(CC[NH+]2CCCC2)ccc1)Cc1ccsc1
### Response:
c1cc(CC[NH+]2CCCC2)cc(NCc2ccsc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)NC1(C(=O)N2CC[C@@H](OCCC(C)C)C2)CCCC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C
Fragment 2: [1*]C(=O)c1ccc([14*])o1
### Response:
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)OCC(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1cc(OC)c2cc(C(=O)N[C@H](C)C(=O)N=c3[nH]c4ccccc4[nH]3)n(C)c2c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(=O)OC1CC[NH+](Cc2ccc(N3CCCCCC3)cc2)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc(OCC)c([N+](=O)[O-])nc1Br
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(scc1CCl)CCCN1C(=O)C(C)(S1(=O)=O)C
### Response:
CC1(C)C(=O)N(CCCc2nc(CCl)cs2)S1(=O)=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N(C)C[8*]
### Response:
CCc1cnc(CN(C)Cn2nc(-c3cccs3)oc2=S)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cn2c(=O)c(C(=O)N[C@H]3CCC[C@@H](C4CC4)C3)cnc2s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(F)c1
Fragment 2: [16*]c1ccccc1
### Response:
CC[C@H](C(=O)NNC(=O)C[C@H](O)c1cccc(F)c1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1n(C)cc2/C=C/C(N1CCCC[C@@H]1CC(OC)=O)=O
### Response:
COC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1cn(C)c2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/[S@](=N\S(=O)(=O)c1cccc2nsnc12)c1ncccc1C(F)(F)F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1nc(C2CCCC2)sc1-c1nc(-c2ccc(C#N)cn2)no1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CC[NH2+][C@@H]1CCCS[C@H]1C)c1ccccc1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc([16*])c1
Fragment 2: [16*]c1ccccc1F
### Response:
C[NH+](Cc1cccc(-c2ccccc2F)c1)[C@H]1CCC[C@@H]1S(C)(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1cc([C@@H]2CCCN2C(=O)C2CCC(n3cccc3)CC2)cn1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
N#Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(/C=C2/N=C([S-])N(C)C2=O)cc1[O-]
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CSCCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)CCC=C
Fragment 2: [4*]CC(=O)OC
### Response:
C=CCC[C@H](C)[NH+]1CCCN(CC(=O)OC)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CCO)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cncc([14*])n1
Fragment 2: [9*]n1ccnc1C
### Response:
Cc1nccn1-c1cncc(N[C@@H]2CCC[C@H]2CO)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(N[5*])c1
Fragment 2: [4*]Cc1cccc([16*])c1
### Response:
CN(C)C(=O)Nc1cccc(CNS(=O)(=O)CC2CCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1NN
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(Nc1ccncc1)(c1ccc(cc1)F)=O
### Response:
O=S(=O)(Nc1ccncc1)c1ccc(F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)n1nnnc1SCC(=O)N([C@@H](c1cc(c(F)cc1)F)C)C
### Response:
CC(C)n1nnnc1SCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCOc1cccc(Br)c1)N1CCCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2OC)N3)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](Sc2ncc(C)cn2)C1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH+]([C@H](c2onc(CC)n2)C)CC(C)(C1)C
### Response:
CCc1noc([C@H](C)[NH+]2CCC(C)(C)C2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)c(-n2cccc2)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1NC(NCc1ccnc(c1)OCc1ccccc1)=O)OC
### Response:
COc1ccccc1NC(=O)NCc1ccnc(OCc2ccccc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)cc1
Fragment 2: [16*]c1c(Cl)cccc1Cl
### Response:
COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ccc(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N(C)C[C@H](O)C2CC2)c(C)n1[C@@H](C)c1ccccc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCC[C@@H]([15*])C1
Fragment 2: [15*][C@@H]1CCC[C@@H]([15*])C1
### Response:
O=C(NC(CO)CO)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1[C@@H]1NC(=S)NC(=C1C(N/N=C/c1cc(ccc1)Br)=O)C)[N+](=O)[O-]
### Response:
CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccc2nc([14*])ncc2c1=O
Fragment 2: [5*]N1CCCC1
### Response:
Cc1cccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc([16*])cn1
Fragment 2: [3*]Oc1ccc(Cl)cc1
### Response:
COC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ncnc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-]
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(OC)c1)[C@@H]([NH+]1CCC([C@@H](C)[C@H]1C)=O)C
### Response:
COc1ccc([C@H](C)[NH+]2CCC(=O)[C@@H](C)[C@H]2C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1sc(=O)n(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc([C@H](C)NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(C)o1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCOCCS(=O)(=O)[N-]c1cc(Br)ccc1O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S1CCC([C@@](C1)(N1CCC[C@H](C(C)C)CC1)C[NH3+])(C)C
### Response:
CC(C)[C@H]1CCCN([C@]2(C[NH3+])CSCCC2(C)C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OC
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nncn1CCNC(=O)N1CCN(c2ccc(OC)cc2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]Cc1cc2ccc(C)cc2[nH]c1=O
Fragment 2: [4*]C(C)(C)C
### Response:
Cc1ccc2cc(C[NH2+]C(C)(C)C)c(=O)[nH]c2c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[NH+]1CCC[C@@H]1CNC(=O)c1nc(COc2c(C)occc2=O)no1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(NC[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC
Fragment 2: [5*]N(CC)CC
### Response:
CCN(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc(C)o1
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(C)o2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@@H]1C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(C)=O
Fragment 2: [3*]O[C@@H]1C[C@@H]2[C@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@H]2CC[C@@H]([15*])[C@]21C
### Response:
CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@H]3C[C@@H](O)CC[C@@]32C)[C@H]2CC[C@@H](C(C)=O)[C@]21C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(CN2/C(=N/C(=O)Cc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1-c1ccc2c(c1)CCO2)NC(=O)c1ccoc1C
### Response:
Cc1occc1C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)OCCN1CCc2ccc(Cl)cc2C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C(=C\C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([S@](=O)[C@H]1C[C@H](CCC1)NC(=O)Nc1ccc(OCC)cc1)C
### Response:
CCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1-c1noc2ncnc(NC3CCCCC3)c12
### Response:
1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.