id
int64 295M
297M
| buildingblock1_smiles
stringclasses 341
values | buildingblock2_smiles
stringlengths 7
54
| buildingblock3_smiles
stringlengths 7
43
| molecule_smiles
stringlengths 40
127
| protein_name
stringclasses 3
values |
|---|---|---|---|---|---|
296,921,630 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(-c2cccnc2)n1
|
NCC1CCN(c2ccncc2)CC1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2nccc(-c3cccnc3)n2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,631 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(-c2cccnc2)n1
|
NCC1CCN(c2ccncc2)CC1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2nccc(-c3cccnc3)n2)n1)C(=O)N[Dy]
|
HSA
|
296,921,632 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(-c2cccnc2)n1
|
NCC1CCN(c2ccncc2)CC1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCN(c3ccncc3)CC2)nc(Nc2nccc(-c3cccnc3)n2)n1)C(=O)N[Dy]
|
sEH
|
296,921,633 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(Cl)n1
|
Cl.NCC1(O)C2C3CC4C5C3CC2C5C41
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(O)C3C4CC5C6C4CC3C6C52)nc(Nc2nccc(Cl)n2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,634 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(Cl)n1
|
Cl.NCC1(O)C2C3CC4C5C3CC2C5C41
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(O)C3C4CC5C6C4CC3C6C52)nc(Nc2nccc(Cl)n2)n1)C(=O)N[Dy]
|
HSA
|
296,921,635 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(Cl)n1
|
Cl.NCC1(O)C2C3CC4C5C3CC2C5C41
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(O)C3C4CC5C6C4CC3C6C52)nc(Nc2nccc(Cl)n2)n1)C(=O)N[Dy]
|
sEH
|
296,921,636 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(Cl)n1
|
Nc1cc2cccnc2c2ncccc12
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(Cl)n2)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy]
|
BRD4
|
296,921,637 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(Cl)n1
|
Nc1cc2cccnc2c2ncccc12
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(Cl)n2)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy]
|
HSA
|
296,921,638 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc(Cl)n1
|
Nc1cc2cccnc2c2ncccc12
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nccc(Cl)n2)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy]
|
sEH
|
296,921,639 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc2cccnc12
|
Cn1ccc(S(=O)(=O)NCCN)c1
|
Cn1ccc(S(=O)(=O)NCCNc2nc(Nc3nccc4cccnc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1
|
BRD4
|
296,921,640 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc2cccnc12
|
Cn1ccc(S(=O)(=O)NCCN)c1
|
Cn1ccc(S(=O)(=O)NCCNc2nc(Nc3nccc4cccnc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1
|
HSA
|
296,921,641 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccc2cccnc12
|
Cn1ccc(S(=O)(=O)NCCN)c1
|
Cn1ccc(S(=O)(=O)NCCNc2nc(Nc3nccc4cccnc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1
|
sEH
|
296,921,642 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2C=O)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
BRD4
|
296,921,643 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2C=O)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
HSA
|
296,921,644 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2C=O)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
sEH
|
296,921,645 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2C=O)n1)C(=O)N[Dy]
|
BRD4
|
296,921,646 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2C=O)n1)C(=O)N[Dy]
|
HSA
|
296,921,647 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2C=O)n1)C(=O)N[Dy]
|
sEH
|
296,921,648 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2C=O)n1)C(=O)N[Dy]
|
BRD4
|
296,921,649 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2C=O)n1)C(=O)N[Dy]
|
HSA
|
296,921,650 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1C=O
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2C=O)n1)C(=O)N[Dy]
|
sEH
|
296,921,651 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
CC1(F)CCN(CCN)C1.Cl.Cl
|
CC1(F)CCN(CCNc2nc(Nc3ncccc3CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)C1
|
BRD4
|
296,921,652 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
CC1(F)CCN(CCN)C1.Cl.Cl
|
CC1(F)CCN(CCNc2nc(Nc3ncccc3CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)C1
|
HSA
|
296,921,653 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
CC1(F)CCN(CCN)C1.Cl.Cl
|
CC1(F)CCN(CCNc2nc(Nc3ncccc3CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)C1
|
sEH
|
296,921,654 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
CCn1cc2cc(N)ccc2n1
|
CCn1cc2cc(Nc3nc(Nc4ncccc4CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc2n1
|
BRD4
|
296,921,655 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
CCn1cc2cc(N)ccc2n1
|
CCn1cc2cc(Nc3nc(Nc4ncccc4CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc2n1
|
HSA
|
296,921,656 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
CCn1cc2cc(N)ccc2n1
|
CCn1cc2cc(Nc3nc(Nc4ncccc4CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc2n1
|
sEH
|
296,921,657 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCN)n2)cc1
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1
|
BRD4
|
296,921,658 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCN)n2)cc1
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1
|
HSA
|
296,921,659 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCN)n2)cc1
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1
|
sEH
|
296,921,660 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
BRD4
|
296,921,661 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
HSA
|
296,921,662 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2CO)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
sEH
|
296,921,663 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
BRD4
|
296,921,664 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
HSA
|
296,921,665 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
sEH
|
296,921,666 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cl.NCCNC(=O)c1ccc(Cl)cc1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2ccc(Cl)cc2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
BRD4
|
296,921,667 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cl.NCCNC(=O)c1ccc(Cl)cc1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2ccc(Cl)cc2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
HSA
|
296,921,668 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
Cl.NCCNC(=O)c1ccc(Cl)cc1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCCNC(=O)c2ccc(Cl)cc2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
sEH
|
296,921,669 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
BRD4
|
296,921,670 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
HSA
|
296,921,671 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1CO
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2CO)n1)C(=O)N[Dy]
|
sEH
|
296,921,672 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCN)n2)cc1
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1
|
BRD4
|
296,921,673 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCN)n2)cc1
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1
|
HSA
|
296,921,674 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCN)n2)cc1
|
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4ncccc4F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)n2)cc1
|
sEH
|
296,921,675 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
BRD4
|
296,921,676 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
HSA
|
296,921,677 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cc1nnsc1CN
|
Cc1nnsc1CNc1nc(Nc2ncccc2F)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
|
sEH
|
296,921,678 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
BRD4
|
296,921,679 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
HSA
|
296,921,680 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Cl.Cl.NCc1ccc2scnc2c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc3scnc3c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
sEH
|
296,921,681 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
BRD4
|
296,921,682 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
HSA
|
296,921,683 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
NCc1cnns1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnns2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
sEH
|
296,921,684 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Nc1cccc(OC(F)F)c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
BRD4
|
296,921,685 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Nc1cccc(OC(F)F)c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
HSA
|
296,921,686 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncccc1F
|
Nc1cccc(OC(F)F)c1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2ncccc2F)n1)C(=O)N[Dy]
|
sEH
|
296,921,687 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccnc1Br
|
Cl.NCc1ccc(CN2C(=O)CNC2=O)cc1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3C(=O)CNC3=O)cc2)nc(Nc2nccnc2Br)n1)C(=O)N[Dy]
|
BRD4
|
296,921,688 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccnc1Br
|
Cl.NCc1ccc(CN2C(=O)CNC2=O)cc1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3C(=O)CNC3=O)cc2)nc(Nc2nccnc2Br)n1)C(=O)N[Dy]
|
HSA
|
296,921,689 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccnc1Br
|
Cl.NCc1ccc(CN2C(=O)CNC2=O)cc1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2ccc(CN3C(=O)CNC3=O)cc2)nc(Nc2nccnc2Br)n1)C(=O)N[Dy]
|
sEH
|
296,921,690 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccnc1Cl
|
Cc1nc(CCN)sc1C
|
Cc1nc(CCNc2nc(Nc3nccnc3Cl)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)sc1C
|
BRD4
|
296,921,691 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccnc1Cl
|
Cc1nc(CCN)sc1C
|
Cc1nc(CCNc2nc(Nc3nccnc3Cl)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)sc1C
|
HSA
|
296,921,692 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nccnc1Cl
|
Cc1nc(CCN)sc1C
|
Cc1nc(CCNc2nc(Nc3nccnc3Cl)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)sc1C
|
sEH
|
296,921,693 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncco1
|
NCc1cnc(-c2ccccc2)o1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2ncco2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,694 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncco1
|
NCc1cnc(-c2ccccc2)o1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2ncco2)n1)C(=O)N[Dy]
|
HSA
|
296,921,695 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncco1
|
NCc1cnc(-c2ccccc2)o1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2ncco2)n1)C(=O)N[Dy]
|
sEH
|
296,921,696 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncco1
|
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2ncco2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,697 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncco1
|
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2ncco2)n1)C(=O)N[Dy]
|
HSA
|
296,921,698 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncco1
|
Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2ncco2)n1)C(=O)N[Dy]
|
sEH
|
296,921,699 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncnc2c1ncn2C1CCCCO1
|
Nc1cc(Br)cn2ccnc12
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3C2CCCCO2)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy]
|
BRD4
|
296,921,700 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncnc2c1ncn2C1CCCCO1
|
Nc1cc(Br)cn2ccnc12
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3C2CCCCO2)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy]
|
HSA
|
296,921,701 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncnc2c1ncn2C1CCCCO1
|
Nc1cc(Br)cn2ccnc12
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3C2CCCCO2)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy]
|
sEH
|
296,921,702 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncnc2c1ncn2C1CCCCO1
|
Nc1cn2nc(Cl)ccc2n1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2ncnc3c2ncn3C2CCCCO2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,703 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncnc2c1ncn2C1CCCCO1
|
Nc1cn2nc(Cl)ccc2n1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2ncnc3c2ncn3C2CCCCO2)n1)C(=O)N[Dy]
|
HSA
|
296,921,704 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncnc2c1ncn2C1CCCCO1
|
Nc1cn2nc(Cl)ccc2n1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cn3nc(Cl)ccc3n2)nc(Nc2ncnc3c2ncn3C2CCCCO2)n1)C(=O)N[Dy]
|
sEH
|
296,921,705 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncncc1Br
|
Cl.Cl.NCC1(c2ccncc2)CC1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(c3ccncc3)CC2)nc(Nc2ncncc2Br)n1)C(=O)N[Dy]
|
BRD4
|
296,921,706 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncncc1Br
|
Cl.Cl.NCC1(c2ccncc2)CC1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(c3ccncc3)CC2)nc(Nc2ncncc2Br)n1)C(=O)N[Dy]
|
HSA
|
296,921,707 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1ncncc1Br
|
Cl.Cl.NCC1(c2ccncc2)CC1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2(c3ccncc3)CC2)nc(Nc2ncncc2Br)n1)C(=O)N[Dy]
|
sEH
|
296,921,708 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nnc(S)s1
|
NCC1CCC2CC2C1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nnc(S)s2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,709 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nnc(S)s1
|
NCC1CCC2CC2C1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nnc(S)s2)n1)C(=O)N[Dy]
|
HSA
|
296,921,710 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nnc(S)s1
|
NCC1CCC2CC2C1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nnc(S)s2)n1)C(=O)N[Dy]
|
sEH
|
296,921,711 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nncs1
|
Cn1ncc2cc(N)ccc21
|
Cn1ncc2cc(Nc3nc(Nc4nncs4)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc21
|
BRD4
|
296,921,712 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nncs1
|
Cn1ncc2cc(N)ccc21
|
Cn1ncc2cc(Nc3nc(Nc4nncs4)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc21
|
HSA
|
296,921,713 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nncs1
|
Cn1ncc2cc(N)ccc21
|
Cn1ncc2cc(Nc3nc(Nc4nncs4)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n3)ccc21
|
sEH
|
296,921,714 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nncs1
|
NCC1CCC2CC2C1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nncs2)n1)C(=O)N[Dy]
|
BRD4
|
296,921,715 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nncs1
|
NCC1CCC2CC2C1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nncs2)n1)C(=O)N[Dy]
|
HSA
|
296,921,716 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1nncs1
|
NCC1CCC2CC2C1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCC2CCC3CC3C2)nc(Nc2nncs2)n1)C(=O)N[Dy]
|
sEH
|
296,921,717 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
COC(=O)c1ccnc(N)c1
|
COC(=O)c1ccnc(Nc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1
|
BRD4
|
296,921,718 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
COC(=O)c1ccnc(N)c1
|
COC(=O)c1ccnc(Nc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1
|
HSA
|
296,921,719 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
COC(=O)c1ccnc(N)c1
|
COC(=O)c1ccnc(Nc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)c1
|
sEH
|
296,921,720 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
COC1CCC(CCN)CC1
|
COC1CCC(CCNc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)CC1
|
BRD4
|
296,921,721 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
COC1CCC(CCN)CC1
|
COC1CCC(CCNc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)CC1
|
HSA
|
296,921,722 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
COC1CCC(CCN)CC1
|
COC1CCC(CCNc2nc(Nc3noc4ccc(F)cc34)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n2)CC1
|
sEH
|
296,921,723 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
NCc1cccs1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
|
BRD4
|
296,921,724 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
NCc1cccs1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
|
HSA
|
296,921,725 |
[N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
|
Nc1noc2ccc(F)cc12
|
NCc1cccs1
|
[N-]=[N+]=NCCC[C@H](Nc1nc(NCc2cccs2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy]
|
sEH
|
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