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HoangHa
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belka-smiles-test-raw

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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
295,246,830
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
C=Cc1ccc(N)cc1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,831
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
C=Cc1ccc(N)cc1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,832
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
C=Cc1ccc(N)cc1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,833
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CC(O)Cn1cnc2c(N)ncnc21
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
BRD4
295,246,834
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CC(O)Cn1cnc2c(N)ncnc21
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
HSA
295,246,835
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CC(O)Cn1cnc2c(N)ncnc21
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
sEH
295,246,836
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,837
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,838
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,839
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
BRD4
295,246,840
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
HSA
295,246,841
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
sEH
295,246,842
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CSC1CCC(CN)CC1
C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,843
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CSC1CCC(CN)CC1
C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,844
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
CSC1CCC(CN)CC1
C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,845
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,846
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,847
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,848
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl
C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,849
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl
C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,850
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl
C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,851
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1ccoc1C(=O)NCCCN.Cl
C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,852
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1ccoc1C(=O)NCCCN.Cl
C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,853
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cc1ccoc1C(=O)NCCCN.Cl
C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,854
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.Cl.NCc1nnc(N2CCCC2)o1
C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,855
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.Cl.NCc1nnc(N2CCCC2)o1
C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,856
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.Cl.NCc1nnc(N2CCCC2)o1
C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,857
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCCc1csc2ccccc12
C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,858
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCCc1csc2ccccc12
C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,859
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCCc1csc2ccccc12
C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,860
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NC[C@H]1CC[C@H](c2ccccc2)O1
C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,861
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NC[C@H]1CC[C@H](c2ccccc2)O1
C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,862
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NC[C@H]1CC[C@H](c2ccccc2)O1
C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,863
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1cc(Br)ccc1OC(F)F
C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,864
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1cc(Br)ccc1OC(F)F
C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,865
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1cc(Br)ccc1OC(F)F
C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,866
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1cc(Cl)sc1Cl
C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,867
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1cc(Cl)sc1Cl
C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,868
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1cc(Cl)sc1Cl
C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,869
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1nnc(S)o1
C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,870
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1nnc(S)o1
C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,871
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Cl.NCc1nnc(S)o1
C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,872
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
NCCN1C(=O)Cc2ccccc21
C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,873
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
NCCN1C(=O)Cc2ccccc21
C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,874
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
NCCN1C(=O)Cc2ccccc21
C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,875
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
NCc1ccncc1
C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
BRD4
295,246,876
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
NCc1ccncc1
C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
HSA
295,246,877
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
NCc1ccncc1
C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(C=C)cc2)n1)C(=O)N[Dy]
sEH
295,246,878
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1cc(C(F)(F)F)ccn1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy]
BRD4
295,246,879
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1cc(C(F)(F)F)ccn1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy]
HSA
295,246,880
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1cc(C(F)(F)F)ccn1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy]
sEH
295,246,881
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ccc(N2CCCCC2)cc1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(N3CCCCC3)cc2)n1)C(=O)N[Dy]
BRD4
295,246,882
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ccc(N2CCCCC2)cc1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(N3CCCCC3)cc2)n1)C(=O)N[Dy]
HSA
295,246,883
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ccc(N2CCCCC2)cc1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc(N3CCCCC3)cc2)n1)C(=O)N[Dy]
sEH
295,246,884
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ccc2[nH]cnc2c1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy]
BRD4
295,246,885
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ccc2[nH]cnc2c1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy]
HSA
295,246,886
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ccc2[nH]cnc2c1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy]
sEH
295,246,887
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1cccc2cn[nH]c12
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy]
BRD4
295,246,888
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1cccc2cn[nH]c12
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy]
HSA
295,246,889
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1cccc2cn[nH]c12
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy]
sEH
295,246,890
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1nccnn1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2nccnn2)n1)C(=O)N[Dy]
BRD4
295,246,891
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1nccnn1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2nccnn2)n1)C(=O)N[Dy]
HSA
295,246,892
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1nccnn1
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2nccnn2)n1)C(=O)N[Dy]
sEH
295,246,893
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
BRD4
295,246,894
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
HSA
295,246,895
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C=Cc1ccc(N)cc1
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
sEH
295,246,896
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
CC(O)Cn1cnc2c(N)ncnc21
C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
BRD4
295,246,897
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
CC(O)Cn1cnc2c(N)ncnc21
C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
HSA
295,246,898
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
CC(O)Cn1cnc2c(N)ncnc21
C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
sEH
295,246,899
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
BRD4
295,246,900
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
HSA
295,246,901
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
sEH
295,246,902
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
BRD4
295,246,903
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
HSA
295,246,904
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
sEH
295,246,905
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
BRD4
295,246,906
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
HSA
295,246,907
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy]
sEH
295,246,908
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
BRD4
295,246,909
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
HSA
295,246,910
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC(O)Cn1cnc2c(N)ncnc21
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2ncnc3c2ncn3CC(C)O)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
sEH
295,246,911
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy]
BRD4
295,246,912
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy]
HSA
295,246,913
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy]
sEH
295,246,914
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy]
BRD4
295,246,915
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy]
HSA
295,246,916
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(NCC2(O)CCCC2(C)C)n1)C(=O)N[Dy]
sEH
295,246,917
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
BRD4
295,246,918
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
HSA
295,246,919
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
CC1(C)CCCC1(O)CN
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
sEH
295,246,920
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
BRD4
295,246,921
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
HSA
295,246,922
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
CC1(C)CCCC1(O)CN
C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
sEH
295,246,923
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
BRD4
295,246,924
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
HSA
295,246,925
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
COC(=O)c1cc(Cl)sc1N
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
sEH
295,246,926
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
BRD4
295,246,927
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
HSA
295,246,928
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl
C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2sc(Cl)cc2C(=O)OC)n1)C(=O)N[Dy]
sEH
295,246,929
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
COC(=O)c1cc(Cl)sc1N
Nc1ncnn2cccc12
C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy]
BRD4
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