task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CCC(C(=O)Oc2cc3c(cc2)OCO3)(CC1)c1ccccc1
### Response:
O=C(Oc1ccc2c(c1)OCO2)C1(c2ccccc2)CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])c1ccc([16*])cc1
Fragment 2: [16*]c1ccccc1
### Response:
C[NH+]1CCC(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [14*]c1nc2ncc3c(=O)n(N4CC[NH+](C)CC4)ccc3n2n1
### Response:
C[NH+]1CCN(n2ccc3c(cnc4nc(-c5ccncc5)nn43)c2=O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CCO1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc([16*])c1
Fragment 2: [3*]OC(F)F
### Response:
O=C(c1ccoc1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1C[C@H]2CC[C@@H]1CN(C(c1ccccn1)=O)C2)CCc1n[nH]c(c1C)C
### Response:
Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN1CCO[C@@H](COc2ccc(C(=O)[O-])cc2OC)C1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](O/N=C(/N)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC1=C(N)C(=O)c2ncccc2C1=O
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1C(=O)NNC(=O)NCC1(C)Cc2ccccc2C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CCC([C@H]2OCCC[C@H]2C[NH2+]C(C)C)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cn(C)c2ccccc12
Fragment 2: [1*]C(=O)C[8*]
### Response:
CN(C(=O)Cc1cn(C)c2ccccc12)[C@H]1CCc2ccccc2C1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1nnc(SCc2ccnc(Cl)c2)n1CC(N)=O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccn1)-c1ccc([C@@H](NC(=O)N[C@H]2CC[NH+](C2)CC2CC2)C)cc1
### Response:
C[C@H](NC(=O)N[C@H]1CC[NH+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([16*])cc1
Fragment 2: [5*]N1CCN([10*])C(=O)[C@@H]([15*])C1
### Response:
C=CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nccnc1N
Fragment 2: [16*]c1cccc(Cl)c1
### Response:
Nc1nccnc1C(=O)NC1(c2cccc(Cl)c2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@@H](O)CCNC(=O)NCc1nc(-c2ccccc2)cs1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1[C@H](NC(CCc1oc(C)cc1)=O)C)N1CCOCC1
### Response:
Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)o1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](Oc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1)C(=O)c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)N1CCC[C@@H](Cc2ccc(NCCN3CCCC3=O)n[nH+]2)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Brc1cc(C[NH2+]CCSc2ccccc2)cs1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](c1ccc(c(c1)C)OC)([NH3+])[C@@]1(C)OCCC1
### Response:
COc1ccc([C@H]([NH3+])[C@]2(C)CCCO2)cc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH2+]Cc1ccc(-c2cc(C)ccc2F)s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(O)CC2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)c(C(N(CC)c2ccc(F)cc2)=O)c(F)ccc1N
### Response:
CCN(C(=O)c1c(F)ccc(N)c1F)c1ccc(F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C)n(CCCn2cc(-c3ccc(CO)o3)nn2)n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(c1cc(-c2ccc(C)o2)nc2c1cccc2)=O)c1cc(C)ccc1OC
### Response:
COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
[NH3+]Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)o1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1c(NC(=O)[C@@H](C)n2c(C)cc(C)nc2=O)sc(C)c1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CN(C(=O)CSc1nnc(-c2ccccc2F)n1C)[C@H]1CCCc2ccccc21
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@](C)(C1CCCCC1)NC(NCc1cc(on1)C)=O)O
### Response:
Cc1cc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)no1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCC[C@H](CC(=O)OC)NC(=O)c1ccc(C#N)[n-]1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+]Cc1cnn(Cc2ccccc2)c1C(F)(F)F
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H]1CN(Cc2cc(F)cc(C#CC[NH3+])c2)CC[NH+]1C
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1noc([14*])n1
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
Cn1cc[nH+]c1CN1CCC(c2nc(-c3ccccn3)no2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C#C)cc(NC(=O)N[C@@H]2CCS(=O)(C2)=O)c1
### Response:
C#Cc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cc([C@H](C)NC(=O)NCCc2nnc3n2CCCCC3)c(C)s1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C1CC1)Oc1cc2c(cc1)C(=O)/C(=C/c1cc(ccc1OC)Br)O2
### Response:
COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cncc([16*])c1
Fragment 2: [4*]Cc1cccn1C
### Response:
Cn1cccc1CNc1cncc(-c2nncn2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]COC
Fragment 2: [3*]Oc1cccc([16*])c1
### Response:
CC[NH2+][C@@]1(CO)CCC[C@H](Oc2cccc(COC)c2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C#CCN(CC)C1CCC([NH3+])CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC[C@H](C[C@H](O)c2ccco2)N(C([C@@H]2[C@@H](C2)c2c(C)cccc2)=O)C1
### Response:
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H]([C@@H]1[C@@H](c2cc(ccc2)C(F)(F)F)C1)O
### Response:
C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1n[nH]c(C)c1NC(=O)NC1(c2ccc(F)cc2F)CCOCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CCOC2(CCC2)C1)n1ncc(C[C@H](CC)[NH3+])c1
### Response:
CC[C@H]([NH3+])Cc1cnn([C@H]2CCOC3(CCC3)C2)c1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1cc2c(c(=O)n1CC[NH+](C)C)[C@@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCO[C@H](C)C(=O)OCC(=O)NC(C)C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC([C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)CO)c1c(cccn1)C)C
### Response:
Cc1cccnc1[C@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)C(C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN[C@@]1(C(=O)[O-])CC[C@@H]([NH+]2CCC(C)(CC)CC2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc2c(c1)OCO2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C[8*]
Fragment 2: [12*]S(C)(=O)=O
### Response:
C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]C1CCN(S(C)(=O)=O)CC1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1cccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N(CC(F)(F)F)C(=O)N(CC(=O)[O-])C(C)(C)C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(C(=O)CNc2cccc3c2CCCC3)C[C@@H](C)O1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc[nH]2)cc1OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ccnc1[C@@H](NC(=O)c1nccc2ccccc12)c1ccc(F)c(F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2cc(N(C)C)ncn2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCN(CC(C)(C)C[NH3+])c1ncnc2ccsc12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(=C(C(OCC)=O)[C@H](CC(N1)=O)c1ccc([N+]([O-])=O)cc1)C(F)(F)F
### Response:
CCOC(=O)C1=C(C(F)(F)F)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1[C@H](C)NC(=O)CCc1nncn1-c1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [5*]N1CC[NH+]([5*])C[C@H]1[13*]
### Response:
Cc1cc(F)ccc1N1CCC([NH+]2CCN(C(C)C)[C@H](CCO)C2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)N[5*]
Fragment 2: [15*]C1CCCC1
### Response:
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C2CCCC2)C2CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN1C[C@H](C(=O)NCc2ccncc2)CC1=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#C[C@H](COC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C([O-])c1nc2ccc(Cl)cc2cc1F
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1c2n(c(-c3cccc(c3)NS(=O)(c3ccccc3)=O)nn2)CCCC1
### Response:
O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(C)c1cccc(NC(=O)NC[C@H]2COc3ccccc3O2)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H](c3ccco3)C2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2)nc2c(F)cccc12
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC/[NH+]=C(\NC[C@H]1CCCO1)NC[C@H](C)C#N
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(NC([C@H](C)Nc2ccc(N3C(OCC3)=O)cc2)=O)cc1F
### Response:
C[C@H](Nc1ccc(N2CCOC2=O)cc1)C(=O)Nc1cccc(F)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-c2nnnn2C2CC2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC=C
Fragment 2: [5*]N([5*])CC=C
### Response:
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1csc(NC(=O)c2cnc3sccn3c2=O)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
[NH3+][C@@H]1CCC[C@H](Oc2ccccc2C(F)(F)F)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Cc2noc(-c3ccc(-c4ccc(OC)nc4)nc3)n2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C([C@@](C)([NH3+])CC)=O)c1c(C[NH+](CC)CC)cccc1
### Response:
CC[NH+](CC)Cc1ccccc1NC(=O)[C@@](C)([NH3+])CC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnc2ccccc21
Fragment 2: [14*]c1ccc([16*])cn1
### Response:
O=C([O-])c1ccc(-n2cnc3ccccc32)nc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cn1c(=O)[nH]c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)cc3)ccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1-c1ccccc1)NC(=O)N[C@@H]1[C@@H](C(N)=O)CCCC1
### Response:
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2ccccc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(CCNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
Fragment 2: [14*]c1ccccn1
### Response:
CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCc1ccc(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)c2[nH]c(=O)c(cc2c1C)CN(S(=O)(=O)c1ccc(cc1)F)Cc1ccc(cc1)C
### Response:
Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1c2c(cc(C)o2)[C@H](NC(N2CCN(CC2)c2ncccn2)=O)CC1(C)C
### Response:
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCN(c2ncccn2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]1CCO[C@@H]1[13*]
Fragment 2: [16*]c1ccccc1
### Response:
C[C@H]1CCC[C@@H](N(C)C(=O)NC[C@@H]2CCO[C@@H]2c2ccccc2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1CSCN1[5*]
Fragment 2: [5*]N(C)C[8*]
### Response:
CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccco1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)cc12
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [5*]NCc1cccc(OC)c1O
### Response:
COc1cccc(CNC(=O)Cc2cccc(F)c2F)c1O |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C(COc1ccc(I)cc1)N[C@H]1CCOc2ccc(Br)cc21
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@H]1CCCN(S(=O)(=O)NCc2cccnc2-n2cncn2)C1
### Response:
Yes |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.