task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)C(=O)NCc2ccc(F)c(C)c2)c(Cl)n1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)Oc1ccc(/C=c2/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H](c1cccc(F)c1)N1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(COc2coc(CO)cc2=O)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1nccs1
Fragment 2: [5*]NC1=[NH+]CCC1
### Response:
C[C@@H](NC1=[NH+]CCC1)c1nccs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc([14*])o1
Fragment 2: [8*]CCO
### Response:
OCCc1ccc(-c2ccc(Cl)cc2)o1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCn1cnc2ccccc2c1=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [1*]C(=O)CS[11*]
### Response:
O=C(CSCC(=O)N1CCOCC1)NCc1ccccc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]1CN([5*])CCO1
Fragment 2: [4*]C[C@H]1CCC[C@@H](C)C1
### Response:
C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CN(C3CC3)CCO2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(SCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccnn1CC
Fragment 2: [5*]N(C)C[8*]
### Response:
CCn1nccc1CN(C)C(=O)c1ccccn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12cc(C(=O)Nc3sc(c(C)c3)C([O-])=O)ccc2ncs1
### Response:
Cc1cc(NC(=O)c2ccc3ncsc3c2)sc1C(=O)[O-] |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1nnc(Cn2ccc(C(=O)C(C)C)c2)o1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccccc1NC(=O)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[NH+]1CCC(NC(=O)NCCC(=O)N(C)C)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(O)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1CCOCC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H]([NH+](CC1)CC)CN(C)c1n(C)nc(c1N)CCC
### Response:
CCCc1nn(C)c(N(C)C[C@H]2CCC[NH+]2CC)c1N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(=O)CS[C@@H](N1c1ccc(C(C)C)cc1)c1c(OC)cccc1
### Response:
COc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(C)C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ncc(C[NH+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C([8*])CC
Fragment 2: [14*]c1n[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1
### Response:
CC[C@@H](c1ccc2c(c1)CCCC2)c1n[nH]c(=S)n1/N=C/c1cccc([N+](=O)[O-])c1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1noc(C)c1[C@H](C)NS(=O)(=O)CCCCC#N
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(c(c1)Cl)Cl)[C@@H](NC(C[NH+]1CCC2(CC1)OCCO2)=O)C
### Response:
C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)c1ccc(Cl)c(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [16*]c1ccc(Cl)cc1[16*]
### Response:
CC(=O)NCc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccccc1-c1cccc(C(=O)N(C)CCC(F)(F)F)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](OC[C@@H](O)COc1ccc2c(nccn2)c1)c1ccc(Cl)cc1
### Response:
C[C@@H](OC[C@@H](O)COc1ccc2nccnc2c1)c1ccc(Cl)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](C)CN(C)C(=O)Cn1c(-c2scnc2C)nc2ccccc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC1Oc1nccc(C[NH2+]Cc2ccc(Br)cc2)c1
### Response:
Brc1ccc(C[NH2+]Cc2ccnc(OC3CCC3)c2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1ccn(CCC(=O)Nc2cccc(c2)-c2nc3sccn3c2)c(=O)[nH]1
### Response:
O=C(CCn1ccc(=O)[nH]c1=O)Nc1cccc(-c2cn3ccsc3n2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1[16*]
Fragment 2: [8*]C(F)(F)F
### Response:
O=C(N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1cscn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)[nH]c2ccccc12
Fragment 2: [8*]CC/N=C(/c1ccc(F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O
### Response:
Cc1[nH]c2ccccc2c1CC/N=C(/c1ccc(F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc([14*])nn1C
Fragment 2: [4*]Cc1cnn([9*])c1
### Response:
CC(C)c1nc(NC(=O)NCc2cnn(-c3ccccc3)c2)n(C)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1cccc2s/c(=N\C(c3c(nn(C)c3)OC)=O)n(CCOC)c21
### Response:
COCCn1/c(=N/C(=O)c2cn(C)nc2OC)sc2cccc(F)c21 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCCC[C@@H](CC)[C@@H](Br)Cc1ccccn1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCOC(=O)C(C)(C)c1nc(-c2ccccc2)no1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1occc1-c1nnc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)o1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccn2c(c(n1)Cl)/C=C/C(=O)O[C@H]([C@H]1CCOC1)C
### Response:
C[C@H](OC(=O)/C=C/c1c(Cl)nc2ccccn12)[C@H]1CCOC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC(C)C
Fragment 2: [1*]C(=O)c1cc(C)nn1CC
### Response:
CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(CCCS(C)(=O)=O)C(=O)C[C@@H]1CCCCC1(C)C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@@H]4CCC[C@@H]43)CC2=O)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN[C@@H](c1ccccc1C)C1([NH+]2CCCC2)CCCC1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc([C@H]2CN(C(=O)c3cccs3)C[C@H]2C(=O)NCC2CC2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1C=C(c2ccc(OC)c(OC)c2)N=N1
Fragment 2: [5*]N/C(=N/c1ccccc1C)SC
### Response:
COc1ccc(C2=C[C@H](N/C(=N/c3ccccc3C)SC)N=N2)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1cccc(Cc2nnc(NC(=O)NCc3cccs3)s2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Oc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(N2CC[NH2+]C[C@@H]2C(=O)N)nn2cccc(Br)c12
### Response:
NC(=O)[C@H]1C[NH2+]CCN1c1nc2c(Br)cccn2n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]3NC(=O)CN3CCOC3=O)CC2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc([16*])cn1
Fragment 2: [7*]C([O-])C[8*]
### Response:
N#C/C(C(=O)NC1CCCC1)=C(/[O-])Cc1cnn(-c2ccccc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12N(C)C[C@H](N(C(N[C@H]3[C@H]4CCCC[NH+]4CC3)=O)Cc1cccc2)C
### Response:
C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[NH+]1CCC(CC1)N(C)Cc1cnc(Cl)s1
### Response:
CN(Cc1cnc(Cl)s1)C1CC[NH+](C)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1n[nH]c(=O)c(C(=O)Nc2ccc3c(c2)COC3)c1CC
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [14*]c1ccc(C)c[nH+]1
### Response:
Cc1ccc(N2CC[C@H](N3CCOCC3)[C@H](CCC(=O)[O-])C2)[nH+]c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(CC[C@H](C(N[C@@H](c2ccncc2)CC)=O)C)cc(c1)F
### Response:
CC[C@@H](NC(=O)[C@H](C)CCc1cccc(F)c1)c1ccncc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CCCO)NC(=O)c1cc(Br)cnc1Cl
### Response:
5 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CSC[C@@H](C)NC(=O)NCc1ccc(Br)s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC[C@@H](CSC)N(C)C(=O)c1cc(F)c(F)c(F)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(c1ccccc1Cl)N1CCN(C2CCSCC2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1OC
Fragment 2: [1*]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12
### Response:
COc1ccccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nn(C)cc1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C(F)F)c(COc2cc3c(OCO3)cc2)ncc1
### Response:
FC(F)n1ccnc1COc1ccc2c(c1)OCO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@H](C)NC(=O)C2CC=CC2)c(C)o1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(S(=O)(=O)CC(=O)NC)nc(C)c1C
Fragment 2: [15*]C1CCCCC1
### Response:
CNC(=O)CS(=O)(=O)c1nc(C)c(C)n1C1CCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nn1cnc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1nc2ccccc2nc1C(=O)Nc1ccccc1C(F)(F)F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H](O)C[8*]
Fragment 2: [10*]N1C(=O)N(C)C2(CCCCC2)C1=O
### Response:
CN1C(=O)N(C[C@H](O)COCc2ccccc2F)C(=O)C12CCCCC2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOCCCNC(=O)N[C@@H]1CCC[C@@H](CC)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(COc1c(C)cc(cc1)C)N/N=C/c1cc(I)c(OC)cc1
### Response:
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1I |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(cccc2OCc2ccc(C(=O)Nc3ccc(cc3)S(=O)(N)=O)cc2)CC(O1)(C)C
### Response:
CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)c2O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[NH2+][C@]1(CCC[C@H]1CCSc1sccn1)C([O-])=O
### Response:
C[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1CCSc1nccs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)OC(=O)[C@H]1CN(C(c2cc(ccc2N(C)C)[N+]([O-])=O)=O)CCC1
### Response:
CCOC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)c1c(Cl)cccc1Cl
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@@]2(CCCN([10*])C2=O)C1
Fragment 2: [8*]CCO
### Response:
Cc1cc2c(N3CC[C@@]4(CCCN(CCO)C4=O)C3)ncnc2s1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(C)n2nc(C(=O)N[C@@H](C)c3ccc(C)o3)nc2n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N)c(Oc2cccc(N(C)C)c2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(Cl)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCOC2(CCCC2)C1
Fragment 2: [3*]O[C@@H]1CCOC2(CCCC2)C1
### Response:
[NH3+]CC1CC(O[C@@H]2CCOC3(CCCC3)C2)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1noc(C)c1CCC[NH2+]Cc1ccc(Cl)nc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1CC)NC(c1cc(c(s1)S(=O)(N)=O)OC)=O)CC
### Response:
CCc1ccc(CC)c(NC(=O)c2cc(OC)c(S(N)(=O)=O)s2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[NH+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C([4*])(C)C
Fragment 2: [1*]C(=O)C(C)(C)O[3*]
### Response:
Cc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1nc2cc3c(cc2n1C[C@H](O)COCc1cccs1)OCCO3
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1noc(C)c1CC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@@H]2[C@H](/C(=N\O)C)C2)ccc(OC)c1
### Response:
COc1ccc([C@H]2C[C@H]2/C(C)=N\O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)Cn1c(SC)nc2ccccc21
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C(C)C)cnnc1S[C@H](c1cc(c(Cl)cc1)Cl)C
### Response:
CC(C)n1cnnc1S[C@@H](C)c1ccc(Cl)c(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1Cl
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCO
Fragment 2: [5*]N[C@@H]1CCC[C@H]1[15*]
### Response:
O=C(NCCO)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2c(=O)cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)oc2c1C
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCCCC1
Fragment 2: [14*]c1nccn1C
### Response:
COc1cc(OC)cc([C@@H](NC(=O)N(C)C2CCCCC2)c2nccn2C)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCN(CC(=O)NC)C(=O)Cc1cccc(Cl)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)cc2)C1
### Response:
No |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.