id
int64 | buildingblock1_smiles
string | buildingblock2_smiles
string | buildingblock3_smiles
string | molecule_smiles
string | protein_name
string | binds
int64 |
|---|---|---|---|---|---|---|
295,246,400 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(=O)[nH]c(=O)[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=O)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,401 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(=O)[nH]c(=S)[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=S)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,402 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(=O)[nH]c(=S)[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=S)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,403 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(=O)[nH]c(=S)[nH]1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(=O)[nH]c(=S)[nH]2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,404 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Br)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Br)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,405 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Br)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Br)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,406 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Br)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Br)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,407 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Br)cn2ccnc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,408 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Br)cn2ccnc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,409 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Br)cn2ccnc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc(Br)cn3ccnc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,410 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,411 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,412 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,413 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C(F)(F)F)cnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,414 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C(F)(F)F)cnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,415 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C(F)(F)F)cnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C(F)(F)F)cnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,416 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C2CC2)[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,417 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C2CC2)[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,418 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(C2CC2)[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,419 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(CO)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(CO)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,420 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(CO)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(CO)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,421 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(CO)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(CO)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,422 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)c(O)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,423 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)c(O)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,424 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)c(O)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,425 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)c([N+](=O)[O-])cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c([N+](=O)[O-])cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,426 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)c([N+](=O)[O-])cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c([N+](=O)[O-])cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,427 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)c([N+](=O)[O-])cn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)c([N+](=O)[O-])cn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,428 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,429 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,430 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,431 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)c2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,432 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)c2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,433 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-] | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)c2[N+](=O)[O-])nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,434 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nc(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,435 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nc(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,436 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nc(Cl)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nc(Cl)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,437 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,438 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,439 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(Cl)nnc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(Cl)nnc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,440 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)c(F)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,441 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)c(F)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,442 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)c(F)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,443 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)c(F)cc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,444 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)c(F)cc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,445 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)c(F)cc1Br | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)c(F)cc2Br)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,446 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)cc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,447 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)cc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,448 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)cc(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)cc(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,449 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,450 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,451 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc(F)ccn1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc(F)ccn2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,452 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc2cccnc2c2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,453 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc2cccnc2c2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,454 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc2cccnc2c2ncccc12 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2noc3ccc(F)cc23)nc(Nc2cc3cccnc3c3ncccc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,455 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]c(=O)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,456 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]c(=O)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,457 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]c(=O)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,458 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]c(=O)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,459 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]c(=O)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,460 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]c(=O)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]c(=O)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,461 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,462 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,463 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1cc[nH]n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2cc[nH]n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,464 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(-c2cnco2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3cnco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,465 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(-c2cnco2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3cnco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,466 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(-c2cnco2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3cnco3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,467 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(-c2ncc[nH]2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3ncc[nH]3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,468 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(-c2ncc[nH]2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3ncc[nH]3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,469 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(-c2ncc[nH]2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(-c3ncc[nH]3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,470 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Br)c(F)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Br)c(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,471 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Br)c(F)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Br)c(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,472 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Br)c(F)n1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Br)c(F)n2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,473 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(C(=O)N2CCOCC2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,474 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(C(=O)N2CCOCC2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,475 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(C(=O)N2CCOCC2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,476 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(CC2COC(=O)N2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(CC3COC(=O)N3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,477 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(CC2COC(=O)N2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(CC3COC(=O)N3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,478 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(CC2COC(=O)N2)cc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(CC3COC(=O)N3)cc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,479 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,480 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,481 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)c(F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)c(F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,482 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)cc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,483 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)cc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,484 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)cc1F | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)cc2F)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,485 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,486 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,487 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)nc1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,488 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)nc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,489 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)nc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,490 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(Cl)nc1Cl | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(Cl)nc2Cl)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,491 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,492 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,493 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c(C(F)(F)F)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(C(F)(F)F)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,494 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,495 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,496 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c(Cl)c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |
295,246,497 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c([N+](=O)[O-])c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | BRD4 | 0 |
295,246,498 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c([N+](=O)[O-])c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | HSA | 0 |
295,246,499 | [N-]=[N+]=NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | Nc1noc2ccc(F)cc12 | Nc1ccc(F)c([N+](=O)[O-])c1 | [N-]=[N+]=NCCC[C@H](Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)nc(Nc2noc3ccc(F)cc23)n1)C(=O)N[Dy] | sEH | 0 |