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 |
|---|---|---|---|---|---|
295,247,030 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,031 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,032 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,033 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,034 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,035 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,036 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,037 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,038 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,039 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,040 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,041 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,042 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,043 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1cc(Cl)sc1Cl | C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,044 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1cc(Cl)sc1Cl | C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,045 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1cc(Cl)sc1Cl | C#CCCC[C@H](Nc1nc(NCc2cc(Cl)sc2Cl)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,046 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1nnc(S)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,047 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1nnc(S)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,048 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Cl.NCc1nnc(S)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(S)o2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,049 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | NCCN1C(=O)Cc2ccccc21 | C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,050 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | NCCN1C(=O)Cc2ccccc21 | C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,051 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | NCCN1C(=O)Cc2ccccc21 | C#CCCC[C@H](Nc1nc(NCCN2C(=O)Cc3ccccc32)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,052 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | NCc1ccncc1 | C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,053 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | NCc1ccncc1 | C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,054 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | NCc1ccncc1 | C#CCCC[C@H](Nc1nc(NCc2ccncc2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,055 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1cc(C(F)(F)F)ccn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy] | BRD4 |
295,247,056 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1cc(C(F)(F)F)ccn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy] | HSA |
295,247,057 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1cc(C(F)(F)F)ccn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2cc(C(F)(F)F)ccn2)n1)C(=O)N[Dy] | sEH |
295,247,058 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ccc(N2CCCCC2)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(N3CCCCC3)cc2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | BRD4 |
295,247,059 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ccc(N2CCCCC2)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(N3CCCCC3)cc2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | HSA |
295,247,060 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ccc(N2CCCCC2)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(N3CCCCC3)cc2)nc(Nc2ccc(F)c(OC)c2)n1)C(=O)N[Dy] | sEH |
295,247,061 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ccc2[nH]cnc2c1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy] | BRD4 |
295,247,062 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ccc2[nH]cnc2c1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy] | HSA |
295,247,063 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ccc2[nH]cnc2c1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2ccc3[nH]cnc3c2)n1)C(=O)N[Dy] | sEH |
295,247,064 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1cccc2cn[nH]c12 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy] | BRD4 |
295,247,065 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1cccc2cn[nH]c12 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy] | HSA |
295,247,066 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1cccc2cn[nH]c12 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2cccc3cn[nH]c23)n1)C(=O)N[Dy] | sEH |
295,247,067 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1nccnn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2nccnn2)n1)C(=O)N[Dy] | BRD4 |
295,247,068 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1nccnn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2nccnn2)n1)C(=O)N[Dy] | HSA |
295,247,069 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1nccnn1 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2nccnn2)n1)C(=O)N[Dy] | sEH |
295,247,070 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | BRD4 |
295,247,071 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | HSA |
295,247,072 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc(N)ccc1F | Nc1ncnn2cccc12 | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2ncnn3cccc23)n1)C(=O)N[Dy] | sEH |
295,247,073 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | C=Cc1ccc(N)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,074 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | C=Cc1ccc(N)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,075 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | C=Cc1ccc(N)cc1 | C#CCCC[C@H](Nc1nc(Nc2ccc(C=C)cc2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,076 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | BRD4 |
295,247,077 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | HSA |
295,247,078 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CC(O)Cn1cnc2c(N)ncnc21 | C#CCCC[C@H](Nc1nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)nc(Nc2ncnc3c2ncn3CC(C)O)n1)C(=O)N[Dy] | sEH |
295,247,079 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,080 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,081 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CC1(C)CCCC1(O)CN | C#CCCC[C@H](Nc1nc(NCC2(O)CCCC2(C)C)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,082 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,083 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,084 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COC(=O)c1cc(Cl)sc1N | C#CCCC[C@H](Nc1nc(Nc2sc(Cl)cc2C(=O)OC)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,085 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COCC1(CCN)CC1.Cl | C#CCCC[C@H](Nc1nc(NCCC2(COC)CC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,086 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COCC1(CCN)CC1.Cl | C#CCCC[C@H](Nc1nc(NCCC2(COC)CC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,087 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COCC1(CCN)CC1.Cl | C#CCCC[C@H](Nc1nc(NCCC2(COC)CC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,088 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COc1cc(N)ccc1F | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,089 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COc1cc(N)ccc1F | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,090 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COc1cc(N)ccc1F | C#CCCC[C@H](Nc1nc(Nc2ccc(F)c(OC)c2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,091 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COc1cc([N+](=O)[O-])cc(C)c1N | C#CCCC[C@H](Nc1nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,092 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COc1cc([N+](=O)[O-])cc(C)c1N | C#CCCC[C@H](Nc1nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,093 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | COc1cc([N+](=O)[O-])cc(C)c1N | C#CCCC[C@H](Nc1nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,094 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CSC1CCC(CN)CC1 | C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,095 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CSC1CCC(CN)CC1 | C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,096 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CSC1CCC(CN)CC1 | C#CCCC[C@H](Nc1nc(NCC2CCC(SC)CC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,097 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CSc1nc(N)cc(Cl)n1 | C#CCCC[C@H](Nc1nc(Nc2cc(Cl)nc(SC)n2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,098 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CSc1nc(N)cc(Cl)n1 | C#CCCC[C@H](Nc1nc(Nc2cc(Cl)nc(SC)n2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,099 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | CSc1nc(N)cc(Cl)n1 | C#CCCC[C@H](Nc1nc(Nc2cc(Cl)nc(SC)n2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,100 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,101 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,102 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1ccc(CN)c(N2CCCC2)c1.Cl.Cl | C#CCCC[C@H](Nc1nc(NCc2ccc(C)cc2N2CCCC2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,103 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl | C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,104 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl | C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,105 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1cccc(NC(=O)COc2ccc(CCN)cc2)c1.Cl | C#CCCC[C@H](Nc1nc(NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,106 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,107 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,108 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cc1ccoc1C(=O)NCCCN.Cl | C#CCCC[C@H](Nc1nc(NCCCNC(=O)c2occc2C)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,109 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1ccn2ccnc2c1 | C#CCCC[C@H](Nc1nc(NCc2ccn3ccnc3c2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,110 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1ccn2ccnc2c1 | C#CCCC[C@H](Nc1nc(NCc2ccn3ccnc3c2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,111 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1ccn2ccnc2c1 | C#CCCC[C@H](Nc1nc(NCc2ccn3ccnc3c2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,112 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1ccns1 | C#CCCC[C@H](Nc1nc(NCc2ccns2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,113 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1ccns1 | C#CCCC[C@H](Nc1nc(NCc2ccns2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,114 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1ccns1 | C#CCCC[C@H](Nc1nc(NCc2ccns2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,115 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,116 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,117 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.Cl.NCc1nnc(N2CCCC2)o1 | C#CCCC[C@H](Nc1nc(NCc2nnc(N3CCCC3)o2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,118 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCCc1ccc(S(N)(=O)=O)s1 | C#CCCC[C@H](Nc1nc(NCCc2ccc(S(N)(=O)=O)s2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,119 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCCc1ccc(S(N)(=O)=O)s1 | C#CCCC[C@H](Nc1nc(NCCc2ccc(S(N)(=O)=O)s2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,120 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCCc1ccc(S(N)(=O)=O)s1 | C#CCCC[C@H](Nc1nc(NCCc2ccc(S(N)(=O)=O)s2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,121 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,122 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,123 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCCc1csc2ccccc12 | C#CCCC[C@H](Nc1nc(NCCc2csc3ccccc23)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,124 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,125 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,126 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NC[C@H]1CC[C@H](c2ccccc2)O1 | C#CCCC[C@H](Nc1nc(NC[C@H]2CC[C@H](c3ccccc3)O2)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
295,247,127 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | BRD4 |
295,247,128 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | HSA |
295,247,129 | C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | COc1cc([N+](=O)[O-])cc(C)c1N | Cl.NCc1cc(Br)ccc1OC(F)F | C#CCCC[C@H](Nc1nc(NCc2cc(Br)ccc2OC(F)F)nc(Nc2c(C)cc([N+](=O)[O-])cc2OC)n1)C(=O)N[Dy] | sEH |
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