task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C)(NC(=O)N(C)C[C@H](O)C)CCC(C)C
### Response:
CC(C)CC[C@H](C)NC(=O)N(C)C[C@@H](C)O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [1*]C(C)=O
### Response:
COc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C(N1[C@@H]2[C@H](CCCC2)CCC1)=O
### Response:
O=C(N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](c1ccncc1)[C@H]([NH3+])C1CCCC1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]CCC[NH3+])CCC[C@@]21C
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(CO)NC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(OCC(=O)N1CCOCC1)c1ccccc1F
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(N(C[C@@H]1CNC(=O)CC1CCCC1)c1ccccc1)=O
### Response:
O=C(CC1CCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)C([NH2+][C@H]2CC[C@H]([NH3+])C2)C1(C)C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(OCC(=O)N1CCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCOc1ccccc1Cl)N1CCC[C@@H]2CCCC[C@H]21
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1c(cc(C(N2CCc3c(C2)sc(NC(c2sccc2)=O)n3)=O)cc1OC)OC)C
### Response:
COc1cc(C(=O)N2CCc3nc(NC(=O)c4cccs4)sc3C2)cc(OC)c1OC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1ccc(SC[C@H](O)CO)c(N)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(cccc1)oc1c(=O)n(cnc21)CC(NC(=O)NCc1ccco1)=O
### Response:
O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC(=O)NCc1ccco1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)/C=C/N(C)[C@H]1CCC[C@@H](C)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@@H](C)CS(=O)(=O)Cc1ccccc1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)c1cccc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CCC1C(Nc1oc(nn1)[C@H]1CCCO1)=O)S(=O)(=O)c1sc(Cl)cc1
### Response:
O=C(Nc1nnc([C@H]2CCCO2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Nc1c(c(N2CCC(CC2)C(=O)OC)ncn1)N
### Response:
COC(=O)C1CCN(c2ncnc(N)c2N)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CC[C@@H](S(NC(C)C)(=O)=O)C1)NCc1cn(nc1CC)C
### Response:
CCc1nn(C)cc1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC(N([C@@H](CC)C)C)=O)cc(c1N1C(=O)CCC1)OC
### Response:
CC[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCc2c(nn(c2C1)CC(C)(O)C)C(OC)=O
### Response:
COC(=O)c1nn(CC(C)(C)O)c2c1CCCC2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(-c2nnco2)cc1NC(=O)N1CCNC(=O)[C@@H]1C(C)C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Br)c(F)ccc(c1)C[NH+]1C[C@@H](CO)CCC1
### Response:
OC[C@H]1CCC[NH+](Cc2ccc(F)c(Br)c2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C(CC)C[NH3+]
Fragment 2: [8*]C(F)(F)F
### Response:
CC/C(=C\c1cccc(C(F)(F)F)c1)C[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [5*]NC(N[5*])=[NH+]C
### Response:
C/[NH+]=C(/NC[C@H]([C@H]1CCOC1)N1CCOCC1)NC(C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)C)cc2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(N2CCCN(c3cc[nH+]c(C)c3)CC2)cc[nH+]1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](N(C)C(Nc1cccc(Cl)c1C)=O)(c1cccc(c1)O)C
### Response:
Cc1c(Cl)cccc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccs1
Fragment 2: [1*]C(=O)CS[11*]
### Response:
O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nccs1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C[C@@H]1CCCC[NH2+]1)C(=O)c1cccc2c1OCCO2
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(/C(=O)N(c2c(c(C)ccc2)C)C(S1)=S)=C/c1cc(F)ccc1
### Response:
Cc1cccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [9*]n1cc([16*])cn1
### Response:
COc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3)n2)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1CN1CCOCC1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1cccc(NNC(=O)N[C@H](c2nccs2)C2CC2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc([N+](=O)[O-])ccc1C
Fragment 2: [5*]N[C@H]1CCCn2nc(CC)nc21
### Response:
CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1cccc([N+](=O)[O-])c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2C)nn1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc2ccccc12
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCSC1=NC(=O)[C@@H]2C(=N1)N=C(C)/C(=C(\[O-])OC)[C@@H]2c1ccc(O)cc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*][NH+]1CCS[C@@H]([13*])C1
### Response:
CC(C)[C@H]1C[NH+](Cc2ncc(-c3cccs3)o2)CCS1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)C[C@@H]1CN(Cc2c(C)nn(CC(C)C)c2Cl)CCO1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
c1cnc2c(O[C@H]3CCC[NH2+]C3)cccc2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CN(C)c1cccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC(C)(Cc1c(C)cccc1)C)CSCC(F)(F)F
### Response:
Cc1ccccc1CC(C)(C)NC(=O)CSCC(F)(F)F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H]1CCC[C@H](Nc2cccnc2C)C1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(-c2nc3ccccc3s2)o1)/C=C1\SC(=S)N(C)C1=O
### Response:
CN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)CC
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
CC[C@@H](C)C(=O)NCC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(F)(F)F
Fragment 2: [16*]c1cc(N/N=C2/C(=[NH2+])N(C)N=C2[NH-])ccc1Cl
### Response:
CN1N=C([NH-])/C(=N\Nc2ccc(Cl)c(C(F)(F)F)c2)C1=[NH2+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([16*])ccn1
Fragment 2: [4*]Cc1[nH]c([14*])c[nH+]1
### Response:
CSCc1ccnc(NCc2[nH]c(-c3ccccc3)c[nH+]2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CCc2cc(F)ccc2C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C/C(=N\Nc1c([N+](=O)[O-])c(C)nn1C)c1ccc(F)cc1F
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)c(cc1)N1CCN(C(=O)c2cc(ccc2)OC)CC1=O
### Response:
COc1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCN(CC)[C@H](C[NH3+])c1ccc(C)o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(CC)(CC(=O)NNC(=O)c1cc(C)oc1C)C(=O)[O-]
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COC(=O)c1ccccc1Br)c1ccc(Br)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[C@H]1CC[NH+](Cc2cccnc2Cl)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@@](C)(O)CNC(=O)C(=O)N1C[C@@H](C)Oc2ccccc21
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [16*]c1ccc([16*])c(C)c1
### Response:
CCOC(=O)N1CCN(C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COCCN(c1cc([C@@H](C)O)cc[nH+]1)[C@@H](C)C1CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(NC(=O)c2ccco2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c2ccccc2nc(C([O-])=O)c1)Oc1ccc(cc1)C
### Response:
Cc1ccc(Oc2cc(C(=O)[O-])nc3ccccc23)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c2c([nH+]c1C(=O)[O-])ccc(c2)F)N
### Response:
Nc1cc(C(=O)[O-])[nH+]c2ccc(F)cc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [8*]CCc1ccc(OC)c(OC)c1
### Response:
COc1ccc(CCN2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2nc(N3CCC[C@H]3C(=O)NCCCc3ccccc3)nc(C)c2c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CCCC[NH+]1[5*]
Fragment 2: [5*]NCCC[8*]
### Response:
Cc1noc(CCCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)ccc1Br
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [4*]Cc1ccc(Cl)c(F)c1
### Response:
C[C@@H](CS(C)(=O)=O)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C1CCN([5*])CC1
Fragment 2: [1*]C(=O)N1CCC([NH2+][5*])CC1
### Response:
CC(C)COC(=O)N1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(Cl)c(NC(=O)NCc2cn3ccsc3n2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)C1CC1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
[NH3+]CCN1CCN(S(=O)(=O)C2CC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccccc1CCC(=O)N1C[C@H]2C[C@@H]1C(=O)N2c1cc(C)ccc1OC
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OS(=O)(=O)c1ccc(S([12*])(=O)=O)cc1
Fragment 2: [5*]N1CCC[C@H](C)C1
### Response:
COc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCn1c(SCC(=O)NCc2ccc(F)cc2F)nc2ccsc2c1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CN(c2cc3c(cc2Br)C(=O)C(=O)N3)C[C@H](C)S1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCS[C@@H]1[13*]
Fragment 2: [16*]c1cc(Br)ccc1OC
### Response:
COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cc(Br)ccc2OC)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCN(c3ccccc3)CC2)c1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1)[C@H]([C@H](CC)N1C[C@@H]2[NH+](CC1)CCCC2)[NH3+]
### Response:
CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[NH+]2CCCC[C@@H]2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(F)cc(cc1)F)C1(CC1)CNC(=O)N1C[C@H]([NH+]2CCCC2)CC1
### Response:
O=C(NCC1(c2ccc(F)cc2F)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[4*]
Fragment 2: [4*]CC1CC1
### Response:
CN(CCOCC1CC1)c1ncccc1C[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)NC(C)(C)C1=O
Fragment 2: [8*]Cc1ccc([16*])cc1
### Response:
CC1(C)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc([C@H]2CCCN2C(=O)c2ccccc2I)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N([5*])C(C)C
### Response:
CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(c(NC(Nc2ccc(cc2)C(=O)OCC)=O)c1)Cl)Cl
### Response:
CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(CCN(C2)CC#CCNC(=O)NCCOC)cc1
### Response:
COCCNC(=O)NCC#CCN1CCc2ccccc2C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CCC#N)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc([14*])cs1
Fragment 2: [16*]c1ccc(OC)c(OC)c1
### Response:
COc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1OC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[S@@](=O)c1ccc(CN2CCc3cc(Cl)cc(Cl)c3C2)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(N1c2ccc(cc2CC1)-c1ccc(cc1)C(NC1CC1)=O)CC
### Response:
CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@@H](O)[C@H](O)[C@@H]1O
### Response:
1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.