task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc2nnc(C)n2n1
Fragment 2: [3*]OCc1ccc(C)cc1
### Response:
Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4c3cnn4-c3ccc4nnc(C)n4n3)cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Clc1ccc(OCCCCSc2ncccn2)cc1Cl
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C1=NN=C(C1)C12CC3CC(CC(C2)C3)C1)N/N=C/C=C/c1ccccc1
### Response:
O=C(N/N=C/C=C/c1ccccc1)C1=NN=C(C23CC4CC(CC(C4)C2)C3)C1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3c[nH]c[nH+]3)[C@@H]2O)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c([C@@H](C([O-])=O)CC(=C)CC)c1)C
### Response:
C=C(CC)C[C@H](C(=O)[O-])c1ccccc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCC#N
Fragment 2: [16*]c1ccccc1
### Response:
N#CCCn1cc(CN2CCO[C@H](C#N)C2)c(-c2ccccc2)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(c1cccc(C)c1)c1ccc(S(=O)(=O)N(C)C)cn1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc([16*])c2noc3c2c1C(=O)c1ccccc1-3
Fragment 2: [5*]N1CCCCC1
### Response:
C[NH+]1CCN(c2cc(N3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cncn1
Fragment 2: [5*]Nc1ccc(=O)n(C[8*])c1
### Response:
C[C@@H](C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)n1cncn1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1cccc2c1OCC[C@H]2N[C@@H]1CCCn2nc(C)nc21
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc([16*])c1
Fragment 2: [14*]c1ncon1
### Response:
COCCn1c(C(=O)Nc2cccc(-c3ncon3)c2)cc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(C(OCc3ccc(Cl)cc3)=O)cn(-c3ccc(F)cc3)c(c2ccc1)=O
### Response:
O=C(OCc1ccc(Cl)cc1)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([N-]S(=O)(=O)c2cc(C(=O)NCC=C)ccc2)cncc1C
### Response:
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C)c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1cccc(OC[C@@H](O)CN2CC[NH+](C)CC2)c1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CN(Cc1ccccc1F)C(=O)CNc1ccc(Br)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C[NH3+])(Cc1sc(C)c(C)n1)c1ccc(cc1)Cl
### Response:
Cc1nc(C[C@@H](C[NH3+])c2ccc(Cl)cc2)sc1C |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCc1nc(CCNC(=O)N[C@@H](CC)c2cc(F)ccc2F)cs1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1n[nH]cc1CN1CCOC[C@@H]1C#N
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC[C@H](C)[NH2+]C)Cc1cccc(C)n1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]([4*])[8*]
Fragment 2: [4*]CC(=O)[O-]
### Response:
Cc1ccc([C@@H](C(=O)N(CC(=O)[O-])C2CC[NH+](C)CC2)N(C)C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(I)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](S(=O)(=O)NC)CC[NH+]1CC(C)(C)C
### Response:
CNS(=O)(=O)[C@@H]1CC[NH+](CC(C)(C)C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[4*]
Fragment 2: [5*]N(C)C1CCCCC1
### Response:
CN(C(=O)CCNS(C)(=O)=O)C1CCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1c(C(C)C)cc(n1)C(=O)NC[C@H](C)C(OC(C)C)=O
### Response:
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(C(C)C)[nH]n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(C)o1
Fragment 2: [14*]c1sc(C)nc1C
### Response:
Cc1ccc(C[NH+](C)[C@@H](C)c2sc(C)nc2C)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C(C)C
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(c(C)cc(C)c1)N(c1scc(CSc2[nH]ncn2)n1)C(=O)C
### Response:
CC(=O)N(c1nc(CSc2ncn[nH]2)cs1)c1c(C)cc(C)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(CC)=O)cc2[C@H]3C=CC[C@H]3[C@@H](c3cccc(c3)Cl)Nc2c1
### Response:
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(S[11*])nc2c(c1=O)S[C@H](C)C2
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c(c2=O)S[C@H](C)C3)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@](c2nc(c3c(CCCCC3)n2)NC)(C)O1
### Response:
CNc1nc([C@]2(C)CCCO2)nc2c1CCCCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1COc2c(cc(cc2O1)/C=C/C(=O)Nc1sc(Cc2ccccc2)nn1)OC
### Response:
COc1cc(/C=C/C(=O)Nc2nnc(Cc3ccccc3)s2)cc2c1OCCO2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC2(C)COC2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccc2c(c1)CCO2)N1CCC[C@H]1c1nc2ccccc2[nH]1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(c1Br)OCC(=O)N([C@@H]1CCS(C1)(=O)=O)Cc1cccs1
### Response:
O=C(COc1ccccc1Br)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCOc1ccc(C[NH2+]C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1Cl
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1ccc2ncc(C[NH+]3CC[C@H]4OCCC[C@@H]4C3)n2c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(ncc(-c2ccoc2)c1-c1ccc(C)cc1)N(C)Cc1n(C)cc[nH+]1
### Response:
Cc1ccc(-c2nc(N(C)Cc3[nH+]ccn3C)ncc2-c2ccoc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])Cc1cc(O)ccc1[N+](=O)[O-]
Fragment 2: [5*]N([5*])C(C)C
### Response:
CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC
Fragment 2: [4*]CCC
### Response:
CCCN[C@@H](c1cc(Cl)cnc1N)[C@H]1C[NH+]2CCN1CC2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cccc2[C@H]1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(C)c(F)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2ccc([N+](=O)[O-])cc21
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)c1cccc(Br)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc(C)cc1
Fragment 2: [15*][C@@H]1CCCC[C@@H]1O
### Response:
Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CCCC[C@@H]1[S@](=O)CC
Fragment 2: [1*]C(=O)[C@@H]1Cc2ccccc2C(=O)O1
### Response:
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(CS(CC(=O)Nc2cc(C)cc(C)c2)(=O)=O)ccc(C(N)=O)c1
### Response:
Cc1cc(C)cc(NC(=O)CS(=O)(=O)Cc2ccc(C(N)=O)cc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC[NH+](CCO)Cc1cc(C)c(Br)s1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)cc(-c2cccc(Cl)c2C(=O)[O-])c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC(=O)N([10*])C[C@@H]1C[8*]
Fragment 2: [5*]N1CC(=O)N([10*])C[C@@H]1[13*]
### Response:
COCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCNc1cc(C)ccc1C(=O)N[C@@H](C)c1nccs1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Cc1nc(-c2cnccc2)sc1)NCc1n2CCCCCc2nn1
### Response:
O=C(Cc1csc(-c2cccnc2)n1)NCc1nnc2n1CCCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(CNC(=O)c2nn(C)c3ccccc3c2=O)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnsc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(SC)ccc(c1)CNC(=S)NC(c1ccc(cc1)[N+]([O-])=O)=O
### Response:
CSc1ccc(CNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccs1
Fragment 2: [5*]NC1CCC([NH2+]C)CC1
### Response:
C[NH2+]C1CCC(NC(=O)c2cccs2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN(c1c(c(F)ccc1)C#N)Cc1cc(c(OC)cc1)F
### Response:
COc1ccc(CN(C)c2cccc(F)c2C#N)cc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(F)cc1F
Fragment 2: [5*]NCC[8*]
### Response:
O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc(C)cc1
Fragment 2: [5*]N([5*])c1cc(Cl)cc(Cl)c1
### Response:
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(CN1C(=O)CCn2nc(cc12)C)NC(C)C
### Response:
Cc1cc2n(n1)CCC(=O)N2CC(=O)NC(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C[C@H](c1ccccc1)NC(=O)N[C@H](C)c1oc2ccccc2c1C)CO
### Response:
Cc1c([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)oc2ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN([5*])C
Fragment 2: [16*]c1ccc(C)cc1C
### Response:
Cc1ccc(NC(=O)NC(=O)CN(C)CC[NH+]2CCCC2)c(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc2)co1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1[S@](CCSc1nnc(-c2occc2)n1C)=O
### Response:
Cn1c(SCC[S@](=O)c2ccccc2)nnc1-c1ccco1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NC(=O)N[C@H](C)CCCO)n(C)n1
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)cc(n2c([nH]1)nc(-c1ccc(Cl)cc1)c2)=O
### Response:
Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nncn1C
Fragment 2: [4*]Cc1ccc2c(c1)OCO2
### Response:
CC/[NH+]=C(\NCc1ccc2c(c1)OCO2)NCc1nncn1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(C)C[C@@H]2C)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@](C)(C#N)NS(=O)(=O)c1ccc(OC2CCCC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1cn(CC)cn1
Fragment 2: [8*]C[NH2+]C
### Response:
CCn1cnc(S(=O)(=O)N2CCCC[C@H]2C[NH2+]C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(C(=O)N2C[C@H](C)OC[C@@H]2C)c1OC
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccs1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C([C@@H](Oc1cc(Cl)ccc1)CC)=O)[C@@H](c1ccc(cc1)C)CC
### Response:
CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1NC(=O)NC(C)C)CNC(=O)N([C@@H](C)c1cccc(O)c1)C
### Response:
CC(C)NC(=O)Nc1ccc(CNC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1ccc(NC(=O)C2CC2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3ccccc31)C2=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCN(c3ncccn3)C2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(Cl)c1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=C(NCc1ccco1)c1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCC2
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(/N=C(\[O-])CCc1cccc(Cl)c1)c1ccc(Cl)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1csc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)(C)SCCOc1cccc(C#N)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1OCC[C@H]1Sc1nnc(Nc2cccc(F)c2)s1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nnc(-c2ccc(NC(=O)NCc3ccnc(OC(C)(C)C)c3)cc2)o1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C[NH+](C)[C@H](C)C2CC2)ccc1OC(F)F
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(C)c(c(C)c(c1C)S(=O)(NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)=O)C)C
### Response:
COc1ccc(N2CC[NH+](CCNS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)cc1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.