task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2ccccc21
Fragment 2: [4*]C[C@H](O)CO
### Response:
O=C(NC[C@H](O)CO)Nc1ccccc1N1CCc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(F)c1F)[C@H]([C@H](C)N[C@H]1c2c(c(C)ccc2OCC1)C)O
### Response:
Cc1ccc2c(c1C)[C@H](N[C@@H](C)[C@H](O)c1ccc(F)c(F)c1)CCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([n+](c2ccccc2s1)CC[C@H](C)S(=O)(=O)[O-])/C=C(/C=C1\Sc2c(N1CC)cccc2)C
### Response:
CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC[C@H](C)S(=O)(=O)[O-])Sc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [5*]N1CCN2C(=O)NC(=O)[C@@H]2C1
### Response:
O=C1NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)C[C@@H]12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(C2CC2)cc(c(c1SC)C#N)C(NCC#Cc1ccccc1)=O
### Response:
CSc1nc(C2CC2)cc(C(=O)NCC#Cc2ccccc2)c1C#N |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cnc2ccc(F)cc2c1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N1CCCC[C@@H]1[13*]
### Response:
O=C(CCc1ccsc1)N1CCCC[C@@H]1c1nc[nH]n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@@H]([NH3+])c2ccc3c(c2)CC(=O)N3)sc1Br
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)[O-]
Fragment 2: [14*]c1nc2cc([16*])ccc2c(=O)[nH]1
### Response:
O=C([O-])c1ccc2c(=O)[nH]c(N3CC[NH2+]CC3)nc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Br)ccc1I
Fragment 2: [5*]Nc1cc(OC)c(OC)cc1C
### Response:
COc1cc(C)c(NC(=O)c2cc(Br)ccc2I)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [5*]N[C@@H]([8*])C[8*]
### Response:
O=C(NCCCO)N[C@H](Cc1ccc(F)cc1)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Nc1ccc(Cl)c(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(C)CC[C@H](NC(N1[C@@H](CC)COCC1)=O)C
### Response:
CC[C@H]1COCCN1C(=O)N[C@H](C)CCSC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCn1nnc2ccccc2c1=O)NCC(F)(F)F
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1csc(CSc2ccc(N)cc2Cl)n1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-]
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)CCc1ccc(F)cc1Br
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N(C)c1c(C)noc1C
### Response:
Cc1noc(C)c1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCC[C@@H]2CCCC[C@H]21
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CN(CC(=O)Nc2nccs2)C[C@H](C)S1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1noc(CN2CC[NH+](CCC(C)C)CC2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1N/C(=C2\C(=O)N(C)C(=O)N=C2[O-])C[C@@H]1c1cccc2ccccc12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)C1=C(C)N=N[C@@H]1Nc1ccc(OCC)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCOC1)c1c(C(=O)NN)cccc1
### Response:
NNC(=O)c1ccccc1N1CCOCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCn1cnc2sccc2c1=O)N1CCCSCC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCS(=O)(=O)c1ccccc1
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1coc(-c2ccccc2)n1)NCCS(=O)(=O)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCC[C@@H]1[13*]
Fragment 2: [8*]CCO
### Response:
Nc1cc(C[NH+]2CCCC[C@@H]2CCO)ccc1O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCc1cc(CNC(=O)c2ccco2)cc(OC)c1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)OC
Fragment 2: [1*]C(=O)[C@H]1[NH+]=NC(=O)c2ccccc21
### Response:
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)[C@H]1[NH+]=NC(=O)c2ccccc21 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[NH+](C)CCN(C(=O)c1cnccn1)c1nc2c(F)cc(F)cc2s1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C)cc(C(=O)N2CCC[C@H]2CSC)c1O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(Br)ccc1NC(=O)N[C@H](C)CCO
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(CCOCC1CC1)C(=O)[C@](C)(N)C(F)(F)F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC[8*]
Fragment 2: [1*]C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C
### Response:
Cc1nc(C)c(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1SCCC[C@]1(CO)[NH2+]C[C@@H]1CCCO1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1ccc([14*])nn1
Fragment 2: [1*]C(=O)C[4*]
### Response:
COc1ccccc1NC(=O)CSc1ccc(-c2ccccc2OC)nn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@H](C)O[C@@H](C)C1
Fragment 2: [1*]C(=O)C[7*]
### Response:
C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(-c2nnc3n2N=C([C@@H](C)S3)c2cc(c(cc2)F)F)ccnc1
### Response:
C[C@H]1Sc2nnc(-c3ccncc3)n2N=C1c1ccc(F)c(F)c1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(CCc1ccccc1O)NCCc1nnc(-c2ccccc2)o1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2nc(SCC(=O)NC(=O)NCC(C)C)n(c(=O)c2cc1)C1CC1
### Response:
CC(C)CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CC)C(=O)COc1ccc(NC(C)=O)cn1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1ccc(cc1OC)[C@H](CN[C@@H](c1cc(Cl)ccc1Cl)C)O
### Response:
COc1ccc([C@@H](O)CN[C@H](C)c2cc(Cl)ccc2Cl)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Oc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN1CCO[C@@H](C(=O)N2CCC(OC3CCCCC3)CC2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=Cc1ccc(OCc2ccon2)c([N+](=O)[O-])c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(s1)CCC2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S1(=O)(=O)CC[C@@]([NH+]2Cc3c(OC2)ccc2c(c(CCC(OCC)=O)c(oc32)=O)C)(C1)C
### Response:
CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)C[NH+]([C@]1(C)CCS(=O)(=O)C1)CO3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)[C@H](C)Sc1nncn1C
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCN(Cc1ccco1)C(=O)N[C@H]1CCCC[C@@H]1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(F)ccc1C1CC([O-])C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H](NC(c1cn(nc1)CC)=O)C)NC(C)(C)C
### Response:
CCn1cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(C)c(NC(=O)CCc2occc2)cc(S(N(C)C)(=O)=O)c1)C
### Response:
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCc2ccco2)c1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1OCCN1CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccccc1N[5*]
Fragment 2: [5*]NCCC(F)(F)F
### Response:
CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@@H]1CC=CCC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](SC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cscc1-c1nc(Cl)c2ccsc2n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](c1cc(sc1C)C)(C)NC(c1c(nccc1)SC(F)F)=O
### Response:
Cc1cc([C@@H](C)NC(=O)c2cccnc2SC(F)F)c(C)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(oc(N2CCN(C(=O)COc3ccc(cc3)OC)CC2)c1C#N)/C=C/c1ccccc1Cl
### Response:
COc1ccc(OCC(=O)N2CCN(c3oc(/C=C/c4ccccc4Cl)nc3C#N)CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C)c(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2C)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(c2ccccc2)=O)cc(NC(=O)Cc2ccon2)ccc1
### Response:
O=C(Cc1ccon1)Nc1cccc(C(=O)c2ccccc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cnn(CC)c1
Fragment 2: [5*][NH+]1CCc2c(F)cc(F)cc2C1
### Response:
CCn1cc(C[NH+]2CCc3c(F)cc(F)cc3C2)cn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cc(Cl)ccc1N1CCCCC1)N1CCOC[C@H]1C1CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(N2C[C@@H](C(N(Cc3cccc(c3)[N+](=O)[O-])C)=O)CC2=O)c2c(cccc2)ccc1
### Response:
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H](c1ccc(F)c(F)c1)[S@](=O)Cc1nnnn1C1CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1Cc2ccccc2S1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)N[5*]
Fragment 2: [3*]O[C@@H]1CCN([5*])C1
### Response:
CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCc1cccs1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(=O)c2ccc(cc2O[C@H]1C([O-])=O)C
### Response:
Cc1ccc2c(c1)O[C@@H](C(=O)[O-])CC2=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cncn1
Fragment 2: [5*]NCc1ccc([16*])cc1
### Response:
C[C@@](O)(CNC(=O)NCc1ccc(-n2cncn2)cc1)c1ccsc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)c3cc[nH]n3)CC2)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cccc(F)c1
Fragment 2: [7*]C1SC(=O)N([10*])C1=O
### Response:
Cc1cccc(N2C(=O)S/C(=C\c3cccc(F)c3)C2=O)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN[C@]1(C#N)CC[C@@H]([NH+]2CC[C@H](C)C2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1Nc2c(O[C@H]1C)ccc(c2)NC([C@@H](C)Oc1cc(c(Cl)cc1)Cl)=O
### Response:
C[C@@H]1Oc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)cc2NC1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(c2c(oc1=O)cccc2)C)C(=O)Nc1c(ccc(OC)c1)F
### Response:
COc1ccc(F)c(NC(=O)c2c(C)c3ccccc3oc2=O)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(CCC(=O)N2CCN(CC2)c2c(ccc[nH+]2)C)c(c(c(C)n1)C)C
### Response:
Cc1ccc[nH+]c1N1CCN(C(=O)CCn2nc(C)c(C)c2C)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
N#C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C1CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(I)cc1
Fragment 2: [14*]c1cccs1
### Response:
O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(I)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCN(C(=O)CCC(N(CC)CC)=O)CC
### Response:
CCN(CC)C(=O)CCC(=O)N(CC)CC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(C(=O)N1[C@@H](C(=O)[O-])CC[C@H]2CCCC[C@@H]21)C(C)C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cccn1
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#C[C@@H]1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [6*]C(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1
### Response:
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[S@](=O)c1ccc(C(=O)NCc2cccnc2-n2cccn2)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@@H]2C(=O)[O-])o1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCN1CCO[C@H](c2ncnc(N)n2)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1c(C)noc1C
Fragment 2: [5*]NCCOC
### Response:
COCCNC(=O)N[C@H](C)c1c(C)noc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1noc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H](CNC([C@H](Oc2ccc3c(cc(oc3c2)=O)CC)C)=O)O)ccccc1
### Response:
CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1CC[C@H](C(=O)N(CC(F)(F)F)C2CCOCC2)N1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2cc(CN(C)C(=O)CC3=c4ccccc4=[NH+]C3)ccc2c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C(=O)CCCNC(C1CC1)=O)c1cc(C)c(c(C)c1)Cl
### Response:
Cc1cc(OC(=O)CCCNC(=O)C2CC2)cc(C)c1Cl |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Br
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C=C(c3ccc(C)cc3C)N=N2)CC1
### Response:
2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.