task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12[nH]c3nc(nnc3c1cccc2)N/N=C1\C(N(c2c1cc(Br)cc2)C)=O
### Response:
CN1C(=O)/C(=N\Nc2nnc3c(n2)[nH]c2ccccc23)c2cc(Br)ccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](Cc1ccc(C)cc1)NC(=O)NNC(=O)Nc1ccccc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)ccc(cc1)CNC(=O)C1CCN(CC1)c1nnc(-n2cccc2)s1
### Response:
O=C(NCc1ccc(F)cc1)C1CCN(c2nnc(-n3cccc3)s2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC(=O)Nc1cccc(CNc2nc(-c3ccccn3)nc(C)c2C)c1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1ccc2cc3c(-c4ccc(F)cc4)coc3cc2o1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1([15*])CCCC1
Fragment 2: [8*]CC(C)C
### Response:
CC[C@@H]1CN(CC2(CC(C)C)CCCC2)[C@H](CC)C[NH2+]1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4F)on3)CC2=O)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(=C\c1oc(cc1)-c1c(cccc1)[N+](=O)[O-])/NC(=O)c1ccc(F)cc1
### Response:
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)C1CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC
Fragment 2: [1*]C(=O)C[NH+]([5*])C
### Response:
CCCNC(=O)C[NH+](C)Cc1cn2c(C)cccc2[nH+]1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(C)[NH+](C)CCNCc1cnc(-c2cccs2)s1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H](NC(=O)C2CC=CC2)CCCC)ccc(OC)cc1
### Response:
CCCC[C@@H](NC(=O)C1CC=CC1)c1ccc(OC)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1Cl
Fragment 2: [5*]N1C(N)=[NH+]C[C@@]1([13*])C
### Response:
C[C@]1(c2ccccc2Cl)C[NH+]=C(N)N1c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(CSc1ccccc1Cl)Nc1ccc(C(OC)=O)cc1
### Response:
COC(=O)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1OCCCc1cccc(F)c1C(N)=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CCCO[C@@H]1C(C)C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC(=O)NC1(C)Cc2ccccc2C1)c1nnc2ccccn12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(CNC(=O)CSc2ncn(-c3ccccc3)n2)s1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CC)c1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SC)=NC(=O)[C@@H]32)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC1CCC(C)CC1
Fragment 2: [1*]C(=O)c1nc([14*])ncc1Cl
### Response:
CCN(CC)c1ncc(Cl)c(C(=O)NCC2CCC(C)CC2)n1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CS[C@@H](C)c1cccc(NC(=O)NCCc2sc(C)nc2C)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])c1ccc([16*])cc1
Fragment 2: [3*]OCC
### Response:
CCOc1ccc([C@H](NC(=O)c2cccnc2)c2ccc3cccnc3c2O)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)N[C@@H](CC(=O)Nc1ccccc1I)c1ccccc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(C2=CCN(C(=O)c3ncncc3Cl)CC2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1OCc1cccnc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Cl)c(Cl)n1C
Fragment 2: [5*]NCCCC(=O)OC
### Response:
COC(=O)CCCNC(=O)c1cc(Cl)c(Cl)n1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CN1CCc2cc(F)ccc2C1)NCCc1ccc(F)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)Cc1noc(CS[C@H](C)C(=O)Nc2ccc(F)cc2F)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(N2CCN(C)C(=O)C2(C)C)c([C@@H](C)[NH3+])cc1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC[8*]
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1ccc(F)cc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1cccc2cc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc12
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]12
Fragment 2: [16*]c1ccc([16*])cc1
### Response:
COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)c2ccc(Cl)cc2)CCO3)CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1N(C[C@@H](C)S2)C(c1ccc(OCCCOC)cc1)=O
### Response:
COCCCOc1ccc(C(=O)N2C[C@@H](C)Sc3ccccc32)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)C1(NC(=O)c2ccc(Cl)cc2Cl)CCCC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1cnc(s1)-c1ccccc1C)[NH+]1CCCn2c(C1)cc(n2)C#N
### Response:
Cc1ccccc1-c1ncc(C[NH+]2CCCn3nc(C#N)cc3C2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(CN(C(=O)Cn2c3c(cccc3)ncc2=O)CCC1)C
### Response:
C[C@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
OCc1cn2c(n1)OC(Cl)=CC2
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C1N=C(N2CCCCC2)S/C1=C1/C(=O)Nc2ccccc21
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1[NH2+]CC[C@@H]1c1nc(Cc2ccc(Cl)c(Cl)c2)no1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn(C)c1C
Fragment 2: [4*]CCC(C)C
### Response:
Cc1c(C(=O)N2CC[C@H](OCCC(C)C)C2)cnn1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
OC[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(c1sccc1)=O)CC(=O)N(Cc1cc(F)c(cc1)OC)C
### Response:
COc1ccc(CN(C)C(=O)CCC(=O)c2cccs2)cc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1CCN(C(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)CC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]1CCC[C@H](NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(-c2csc(CC(=O)N(C)C)n2)c(C)n1NC(=O)c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1ccc(c(NS(=O)(C)=O)c1)C)N(C)[C@@H](C)c1sc2c(n1)cccc2
### Response:
Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1NS(C)(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccc(NC(=O)CSCC(=O)Nc2cccc3ncccc23)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccccc1COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nnnn32)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cn(-c2ccccc2Cl)nc1NC(=O)NC[C@H]1CC[NH+](CC(C)C)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCCCn1nnc(-c2cc(OC)ccc2Br)n1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCC1CCN(C(=O)c2ccno2)CC1)Oc1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
c1cncc(-c2ncc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)s2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)[NH2+]Cc1cccc(Oc2ncccn2)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c2c(cc(F)cc2)c(C)c1CN/C(=[NH+]/C)N1CC[C@@H](C1)[NH+]1CCCC1
### Response:
C/[NH+]=C(/NCc1oc2ccc(F)cc2c1C)N1CC[C@H]([NH+]2CCCC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C(=O)Nc1cccnc1-c1ccc([C@@H](C)N2CCOCC2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C)c1ccc([C@H](O)CNC(=O)c2ccccc2[N+](=O)[O-])cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cn1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc2cc([C@@H](C)NC(=O)N3CCC(CC[NH+](C)C)CC3)oc12
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CCCNc1c2c(nc(n1)-c1ccccc1)nc(o2)-c1ccccc1)C
### Response:
COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(NC2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc(OC)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](NC(=O)c1ccccc1SCC=C(C)C)c1nccs1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2ccc(C)cn2n1
Fragment 2: [15*]C1C[NH2+]C1
### Response:
Cc1ccc2nc(N3CCN(C4C[NH2+]C4)CC3)nn2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1[13*]
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc([C@H]2[C@H](C(=O)NCCc3ncnn3C)CCC(=O)N2C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C[NH+](C)Cc1ccccc1)(Nc1nc(cnc1)C(=O)N)C
### Response:
C[NH+](Cc1ccccc1)CC(C)(C)Nc1cncc(C(N)=O)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1n(ncc1)Cc1c(cc(Cl)cc1)Cl)c1scnc1C
### Response:
Cc1ncsc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCN(Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C(C)(C)C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1ccc(cc1)C[C@H]([NH+]1CCN(C(=O)OCC)CC1)C
### Response:
CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)C
Fragment 2: [1*]C(=O)C[C@H]1CSc2nc([14*])cc(=O)n21
### Response:
COc1ccc(C)cc1NC(=O)C[C@H]1CSc2nc(C(C)C)cc(=O)n21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+][C@@H]1CCCC[C@@H]1/N=C/[C@@H]1C(=O)N=C(S)N(c2ccccc2)C1=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccs1
Fragment 2: [1*]C(=O)[C@@H]([8*])C
### Response:
C[C@@H](C(=O)Nc1nccs1)c1ccc(Br)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CC(=O)[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4C3=CC[C@@H]2S1(=O)=O
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@](C)(CO)NC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(n1ncc(c1)C)CCNC(N1C[C@H](CCCC1)N1CC[NH+](C)CC1)=O
### Response:
Cc1cnn(CCCNC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(Oc2ccccc2NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C(=O)N[C@H](C)c2ccncc2)nnn1-c1cccc([N+](=O)[O-])c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [5*]N[C@H]([8*])c1ccccc1F
### Response:
Cc1nc([C@@H](NC(=O)[C@@H](C)c2ccsc2)c2ccccc2F)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2=C(C(=O)CS[C@@H]3OC(=NN3)C[C@@H]3CCS(C3)(=O)=O)[C@H]([NH+]=c2ccc1)c1ccccc1
### Response:
O=C(CS[C@H]1NN=C(C[C@@H]2CCS(=O)(=O)C2)O1)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NNC(Cc2ccc(cc2Cl)OC)=O)cc(C#N)cc(n1)Cl
### Response:
COc1ccc(CC(=O)NNc2cc(C#N)cc(Cl)n2)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH2+]CCC[C@H]1N(C(=O)N[C@H]1COCC1)CC(=O)N
### Response:
NC(=O)CN(C(=O)N[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@H](CN1CCN(c2ccccc2F)CC1)Cn1nnnc1-c1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc(C)c(C)s1
Fragment 2: [16*]c1ccccc1
### Response:
Cc1nc(CC(CO)(CO)Cc2ccccc2)sc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)CO)C2
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)CN1CCO[C@@H](CNC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCc1ccccc1)[C@H]1CCCN(C(=O)C2=C[C@H]3N=CC=C3C=C2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2sc3c(c2c(=O)[nH]1)CCCC3
Fragment 2: [8*]CCC(=O)[C@@H]([8*])C#N
### Response:
Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC=CCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CN(C)C(=O)Nc1cccc(CNC(=O)NCCC(F)(F)F)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc2cc(C(=O)N(C)c3ccc(OC)nc3)[nH]c2c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCCC1NC(=O)CSc1nc2c(c(n1CCn1ncc(Cl)c1)=O)cccc2
### Response:
O=C(CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1)NC1CCCCC1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(=O)N(C)CC(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1
### Response:
No |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.