task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCc2cc(Br)ccc21
Fragment 2: [1*]C(=O)c1cncc(C)c1
### Response:
Cc1cncc(C(=O)N2CCCCc3cc(Br)ccc32)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(F)(F)F
Fragment 2: [5*]Nc1ccc([16*])cc1[N+](=O)[O-]
### Response:
CC[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](=C(/N[C@H]1C[C@@H](C(F)(F)F)CCC1)NCCc1c(C)nc(s1)C)/C
### Response:
C/[NH+]=C(/NCCc1sc(C)nc1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@H](Oc2ccc(c(c2)F)F)C[C@@]1([NH2+]CC)C(N)=O
### Response:
CC[NH2+][C@]1(C(N)=O)CC[C@H](Oc2ccc(F)c(F)c2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(c(N[C@](CO)(C)CC)ncn2)cc(cc1)F
### Response:
CC[C@](C)(CO)Nc1ncnc2ccc(F)cc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)CCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
s1cc(C(C)C)nc1NC(=O)Cc1ccc(cc1)-n1cnnn1
### Response:
CC(C)c1csc(NC(=O)Cc2ccc(-n3cnnn3)cc2)n1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc(NCC(=O)N/N=C\c2cccs2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)C(=O)NCCC(=O)Nc1ccc(C#N)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@@H](C)C[NH+](CC)CC(=O)c1ccc(Br)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N([C@@H](c1cccc(Cl)c1)C)C(C(=O)Nc1ccc(OC(C)C)cc1)=O
### Response:
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n(ccc1)-c1c(sc2c1c(C)cc(C)n2)C(=O)N1CCN(CC1)S(=O)(=O)N(CC)CC
### Response:
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C)cc1[C@H](C)NCc1cnc(-c2cccs2)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [1*]C(=O)c1c(C)[nH]c2ccccc12
### Response:
Cc1[nH]c2ccccc2c1C(=O)N1CCC[NH+](Cc2ccccc2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(/C(N)=N\OCc2cc(-c3ccccc3)on2)c(OC)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(nc(CN3CCN(CC3)C(C)=O)[nH]c2=O)sc2c1CC[C@H](C(C)(C)C)C2
### Response:
CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1cc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)ccc1Br
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(O)C[C@H](C)CNC(N[C@@H]1C[C@@H](CCC1)[S@](=O)CC)=O
### Response:
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C)CCO)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](CC(F)(F)F)C(=C)C
Fragment 2: [5*][NH2+]CC
### Response:
C=C(C)[C@H](CC(F)(F)F)[NH2+]CC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH2+][C@@H](C)c1ccccc1N(CC)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(/N=C(\[N-]c1ccc(Br)cc1)C(F)(F)F)c1ccccc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [5*]Nc1nnc(S[11*])s1
### Response:
O=C(CSc1nnc(NC(=O)C2CCC2)s1)c1ccc(F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]([NH3+])c1ccn(CCCc2ccccc2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CCN(C([1*])=O)CC1
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NCCS2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=[N+]([O-])c1ccccc1NCc1cn(-c2ccccc2)nn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1cn(C)nc1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C(=O)N2CCN(CN3C(=O)[C@H]4CCC[C@H]43)CC2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(C)c(C)ccc1)/C=C(\C([O-])=O)F
### Response:
Cc1cccc(/C=C(/F)C(=O)[O-])c1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1nnc(CNC(=O)c2ccc(Cl)c(Cl)c2)s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)[C@@H]1CN(C(=O)CCc2cccnc2)CCS1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-]
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
[NH3+][C@@H]1CCCC[C@H](c2cscc2Br)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1[C@@H](NC(CN1CCCc3c(cccc31)[N+](=O)[O-])=O)CCO2
### Response:
O=C(CN1CCCc2c1cccc2[N+](=O)[O-])N[C@H]1CCOc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1cc(ccc1)COc1c(Cl)cc(/C=C2\C(=NOC2=O)C)cc1OCC
### Response:
CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CNC(=O)CCCn2c(c3c(c(ccc3)C)nc2)=O)ccc(cc1)C(=O)N1CCOCC1
### Response:
Cc1cccc2c(=O)n(CCCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cnc12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2ncnc3c2cnn3C)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)NC(=O)[C@H](CC)n1c(=O)c(N(C)C(C)=O)nc2c1cccc2
### Response:
CC[C@@H](C(=O)Nc1ccccc1)n1c(=O)c(N(C)C(C)=O)nc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccnc([14*])c1
Fragment 2: [15*][C@@H]1CCCC[C@@H]1CO
### Response:
O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N[C@@H]1CCCC[C@@H]1CO |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)CNC1=O
Fragment 2: [8*]Cc1nc(C2=N[C@@H](C)C(C(C)=O)=C2C)cs1
### Response:
CC(=O)C1=C(C)C(c2csc(CN3C(=O)CNC3=O)n2)=N[C@H]1C |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cc(C[NH+]2CCC[C@@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1cccc(C(=O)Nc2c(C(=O)N3CCN(c4ccccc4OC)CC3)oc3ccccc23)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(c2ccc(F)cc2)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH+](CC)CC(=O)NN1c2ccccc2CCc2ccccc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCOc1ccccc1)Nc1cccc(Cl)c1-n1cncn1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(O[C@H](C)c1n(c2c(n1)cccc2)C)=O)c1nn2c(cc(C)nc2n1)C
### Response:
Cc1cc(C)n2nc(CC(=O)O[C@H](C)c3nc4ccccc4n3C)nc2n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1ccc(cc1)N1C[C@H](c2onc(n2)-c2ccc(Br)cc2)CC1=O)C
### Response:
COc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [13*][C@@H]1Oc2ccccc2C2=C1[C@@H]([13*])N1NC=NC1=N2
### Response:
COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1CCC(C)CC1
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
CC1CCC(NC(=O)C(=O)Nc2cc(C(C)C)on2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1O[C@H](CN(CCOc2cc(ccc2)C)C1)CC(=O)[O-]
### Response:
Cc1cccc(OCCN2CCO[C@@H](CC(=O)[O-])C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCCCC#N
Fragment 2: [5*]N[C@H]1CCC[C@H]1[15*]
### Response:
N#CCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccncc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH+](CC)CCNC(=O)c1cc(C)n(C)n1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c2c(cccc2cc1)C(Nc1ccc(cc1)-c1ncc(C(C)C)o1)=O
### Response:
CC(C)c1cnc(-c2ccc(NC(=O)c3cccc4cc[nH]c34)cc2)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(C1)NC(C[S@@](=O)Cc1c(C)oc(-c2ccc(OC)cc2)n1)=O
### Response:
COc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCC3)c(C)o2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Nc1ccc(F)cc1I)C1CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)[C@@H]1COCCN1Cc1csc(-c2ccc(Cl)cc2)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[NH+](C1)C(C)([C@@H](c1ccc(s1)Cl)O)C
### Response:
CC(C)([C@H](O)c1ccc(Cl)s1)[NH+]1CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[NH+](CC)CC1
Fragment 2: [16*]c1ccc(C)cc1
### Response:
CC[NH+]1CCN(CCc2nc(-c3ccc(C)cc3)no2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(C)c1
Fragment 2: [1*]C(=O)c1ccc([16*])cc1
### Response:
CCN(CC)C(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(NC(=O)C(=O)NCc2ccc(F)cc2)no1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(COC(=O)C1=NCC(Br)=C1)Nc1ccc2c(c1)CCC2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CCC[C@@H]([NH2+][C@H]2CS(=O)(CCC2)=O)C1)S(=O)(C)=O
### Response:
CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(NC2CC[NH+](C[C@@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(C2(C(=O)N3CCOC[C@@H](O)C3)CCCC2)cc1OC
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1CCCC[C@@H]1n1c(N)nc2c(OC)ncnc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCN(C)C(=O)[C@H]1CCC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nnc2ccc(N3CCOC[C@@H]3CC(C)C)nn12
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1ccc(C(=O)NCCCc2c(C)noc2C)c(O)c1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(CSc2nnc(C(C)C)n2C2CC2)on1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(CC)n[nH]1
Fragment 2: [1*]C(=O)CC[8*]
### Response:
CCc1cc(NC(=O)CCc2c[nH]c3ccc(C)cc23)[nH]n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Brc1cn2ccnc2c(N[C@H]2CCCOC2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCCSc1c[nH]c2ccccc12)c1cnn2c1OCCC2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C1C[C@H](c2ccccc2C(F)(F)F)[C@H]2C(=O)N=C(c3ccccc3)N=C2N1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1F
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(C)c(CNCCc2cccc(Cl)c2)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4)nc3C#N)CC2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccc(O)c(NC(=O)c2ccc(-n3cccn3)cc2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ncnc1CNC(=O)N[C@@H]1CCCc2ccccc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2sc(cc2c(F)c1)C(N[C@H](c1ccccn1)C)=O
### Response:
C[C@H](NC(=O)c1cc2c(F)cccc2s1)c1ccccn1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCCCNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
ClCc1cncc(Oc2ccc(Cl)c3ccccc23)n1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1CCC[C@H](OC(=O)/C=C/c2ccc(OCC#N)cc2)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(Cl)nc1
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1cncc(NC(=O)Cc2ccc(Cl)nc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[C@H]1C(=O)NC(=O)C[C@H]1c1ccc(CC)s1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCC(C1)C(OCc1nc(-c2sccc2)no1)=O)C(c1cccs1)=O
### Response:
O=C(OCc1nc(-c2cccs2)no1)C1CCN(C(=O)c2cccs2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [16*]c1ccsc1
### Response:
Cc1occc1COC(=O)CCc1ccsc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@]12CCC(=O)N1[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CS2
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)[C@H]1c1cccnc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1C#N)NC(N1CCN(C(CCC2CCCCC2)=O)CC1)=O
### Response:
N#Cc1ccc(NC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C([8*])(C)C(C)C
Fragment 2: [16*]c1ccc(O)cc1
### Response:
CC(C)[C@@](C)(c1ccc(O)cc1)c1cccc(F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(Br)cc1C[C@@H](O)c1ccc(F)cn1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(c1ccccc1Cl)NCCNC(=O)N1[C@H](CCCC1)CC
### Response:
CC[C@H]1CCCCN1C(=O)NCCNC(=O)c1ccccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C(=C\c1ccccc1)/CSc1nnc(-c2ccncc2)o1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)no1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC(C)C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C[C@@H](c1ccccc1OC)C)NC[C@@H]1CN2[C@@H](CO1)CCCC2
### Response:
COc1ccccc1[C@@H](C)CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.