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1836 SMILES Strings for Mitogen-activated protein kinase 8

Compound NameSMILES String
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM11242 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM15458 COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
BDBM15909 CCOc1nc(cc(N)c1C#N)C(=O)NCc1cc(OC)ccc1OC
BDBM15910 CCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N
BDBM15911 CCOc1nc(cc(N)c1C#N)C(=O)NC
BDBM15983 CC(C)COc1nccc(Nc2ccccc2C(O)=O)n1
BDBM15984 OC(=O)c1ccccc1Nc1ccnc(OCC2CCCCC2)n1
BDBM15985 OC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)n1
BDBM15912 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1
BDBM15913 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM15914 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1S(N)(=O)=O
BDBM16018 O=C1c2ccccc2-c2n[nH]c3cccc1c23
BDBM15869 Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(F)(F)F
BDBM15871 Cn1nc(c2c1n(O)c1ccc(Cl)c(Cl)c1c2=O)C(F)(F)F
BDBM15872 Cn1nc(c2c1n(O)c1cc(Cl)c(Cl)cc1c2=O)C(F)(F)F
BDBM15915 CCOc1nc(cc(N)c1C#N)C(=O)NCc1cccnc1
BDBM15916 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O
BDBM15917 CCOc1nc(cc(N)c1C#N)C(=O)N(C)Cc1ccc(cc1)S(C)(=O)=O
BDBM15918 CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM15919 CC(C)Oc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM15920 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(Cl)n2)cc1
BDBM15921 CCOc1nc(ccc1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM15922 CCOc1nc(ccc1C#N)C(=O)NCc1cc(OC)ccc1OC
BDBM15986 CCCCNc1nccc(Nc2ccccc2C(O)=O)n1
BDBM15987 OC(=O)c1ccccc1Nc1ccnc(NCc2ccccc2)n1
BDBM15988 OC(=O)c1ccccc1Nc1ccnc(NC2CCCCC2)n1
BDBM15873 COc1cc(Cl)cc2c1n(O)c1n(C)nc(c1c2=O)C(F)(F)F
BDBM15874 CN(C)c1cc2n(O)c3n(C)nc(c3c(=O)c2cc1Cl)C(F)(F)F
BDBM15875 Cc1nn(C)c2n(O)c3ccccc3c(=O)c12
BDBM15989 OC(=O)c1ccccc1Nc1ccnc(n1)N1CCCCCC1
BDBM15990 CCN(CC)c1nccc(Nc2ccccc2C(O)=O)n1
BDBM15991 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM15876 Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1ccccc1
BDBM15877 Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1cc[nH]n1
BDBM15880 CCCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
BDBM15992 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2O)n1
BDBM15993 OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
BDBM15994 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1
BDBM15881 CC(C)On1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
BDBM15882 Cc1nn(C)c2n(OC3CCCC3)c3ccc(Cl)cc3c(=O)c12
BDBM15883 Cc1nn(C)c2n(OCc3ccccc3)c3ccc(Cl)cc3c(=O)c12
BDBM15926 CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N
BDBM15955 CC(C)Oc1nc(NC(C)=O)cc(N)c1C#N
BDBM15956 COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
BDBM15995 NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
BDBM15996 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2F)n1
BDBM15997 OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1
BDBM15884 Cc1nn(C)c2nc3ccc(Cl)cc3c(O)c12
BDBM15885 CCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15886 CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15887 CCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15927 CCOc1nc(NC(=O)Cc2ccccc2Cl)cc(N)c1C#N
BDBM15928 CCOc1nc(NC(=O)Cc2cccc(Cl)c2)cc(N)c1C#N
BDBM15929 CCOc1nc(NC(=O)Cc2ccc(Cl)cc2)cc(N)c1C#N
BDBM15962 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1
BDBM15963 COCCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
BDBM15964 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCS(C)(=O)=O)n2)c1
BDBM15998 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(F)cc2)n1
BDBM15999 Cc1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1
BDBM16000 Cc1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1F
BDBM15889 Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(C)(C)C
BDBM15890 COC(=O)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15930 CCOc1nc(NC(=O)Cc2ccccc2C)cc(N)c1C#N
BDBM15931 CCOc1nc(NC(=O)Cc2cccc(C)c2)cc(N)c1C#N
BDBM15932 CCOc1nc(NC(=O)Cc2ccc(C)cc2)cc(N)c1C#N
BDBM15965 CCCCSc1nc(NC(C)=O)cc(N)c1C#N
BDBM15966 CCNc1nc(NC(C)=O)cc(N)c1C#N
BDBM16001 Cc1c(O)cccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
BDBM16002 OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(c2)C(F)(F)F)n1
BDBM16003 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
BDBM16004 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)[N+]([O-])=O)n1
BDBM16005 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
BDBM16006 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1
BDBM16007 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1
BDBM16008 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1
BDBM16009 OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2ccccc2)n1
BDBM16010 OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2cccc(O)c2)n1
BDBM16011 OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
BDBM16012 OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F
BDBM16013 OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Br
BDBM16014 OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1Br
BDBM16016 CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
BDBM15891 Cn1nc(-c2ccc(N)cc2)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15892 COCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15893 Cn1nc(CCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15933 CCOc1nc(NC(=O)Cc2ccccc2OC)cc(N)c1C#N
BDBM15934 CCOc1nc(NC(=O)Cc2cccc(OC)c2)cc(N)c1C#N
BDBM15935 CCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N
BDBM15967 CC(C)Nc1nc(NC(C)=O)cc(N)c1C#N
BDBM15968 CC(=O)Nc1cc(N)c(C#N)c(n1)-c1ccccc1
BDBM15969 CCCc1nc(NC(C)=O)cc(N)c1C#N
BDBM15970 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(cn2)C#N)c1
BDBM15894 Cn1nc(CCCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15896 CNC(=O)CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15897 CC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15936 CCOc1nc(NC(=O)Cc2cc(C)ccc2C)cc(N)c1C#N
BDBM15937 CCOc1nc(NC(=O)Cc2cc(Br)ccc2Br)cc(N)c1C#N
BDBM15938 CCOc1nc(NC(=O)Cc2cc(OC)c(NC(C)=O)cc2OC)cc(N)c1C#N
BDBM15939 CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
BDBM15940 CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N
BDBM15941 CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)[N+]([O-])=O)cc(N)c1C#N
BDBM15971 CCOc1nc(NC(C)=O)cc(C)c1C#N
BDBM15972 CCOc1cccc(NC(C)=O)n1
BDBM15898 CCNC(=O)NCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15899 CCOC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15900 Cc1nn(CC(O)=O)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15973 CCOc1cc(NC(C)=O)nc(N)c1C#N
BDBM15974 CCCCC(=O)Nc1nc(OCC)c(C#N)c(N)c1Cl
BDBM15975 CCCCC(=O)N(C)c1cc(N)c(C#N)c(OCC)n1
BDBM15976 CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
BDBM15977 CCCCOc1nccc(Nc2ccccc2C(O)=O)n1
BDBM15978 NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
BDBM15901 CCOC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15902 CNC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15905 Cc1nn(-c2ccccc2)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15906 Cn1n2c(CCNC2=O)c2c1[n+]([O-])c1ccc(Cl)cc1c2=O
BDBM15907 CCOc1nc(NC(C)=O)cc(N)c1C#N
BDBM15908 CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
BDBM15942 CCOc1nc(NC(=O)OC)cc(N)c1C#N
BDBM15943 CCNC(=O)Nc1cc(N)c(C#N)c(OCC)n1
BDBM15944 CCOc1nc(NCCc2cc(OC)ccc2OC)cc(N)c1C#N
BDBM15945 CCOc1nc(NC(=O)CN(CC)CC)cc(N)c1C#N
BDBM15946 CCCCN(CCCC)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1
BDBM15947 CCCCNCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
BDBM15948 CCCN(CCO)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1
BDBM15949 CCOc1nc(NC(=O)CN2CCCCC2)cc(N)c1C#N
BDBM15950 CCOc1nc(NC(=O)CN2CCOCC2)cc(N)c1C#N
BDBM15951 CCOc1nc(NC(=O)CN2CCC(O)CC2)cc(N)c1C#N
BDBM15952 CCCCNC(=O)C1CCN(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)CC1
BDBM15953 CCOc1nc(NC(=O)CN2CCC(CC2)C(=O)NC(C)C)cc(N)c1C#N
BDBM15954 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(Br)n2)c1
BDBM15981 CCCCCOc1nccc(Nc2ccccc2C(O)=O)n1
BDBM15982 CCCCCCOc1nccc(Nc2ccccc2C(O)=O)n1
BDBM15868 Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15870 Cc1nn(C)c2n(O)c3ccc(Br)cc3c(=O)c12
BDBM15878 COn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
BDBM15879 CCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
BDBM15888 CC(C)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15895 Cn1nc(CCN)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15903 Cc1nn(CCO)c2n(O)c3ccc(Cl)cc3c(=O)c12
BDBM15904 CCn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
BDBM15923 CCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
BDBM15924 CCOc1nc(NC(=O)C(C)C)cc(N)c1C#N
BDBM15925 CCOc1nc(NC(=O)CC(C)C)cc(N)c1C#N
BDBM15957 CN(C)CCOc1nc(NC(C)=O)cc(N)c1C#N
BDBM15958 CC(=O)Nc1cc(N)c(C#N)c(OCCC(O)=O)n1
BDBM15959 CC(=O)Nc1cc(N)c(C#N)c(OC2CCOC2)n1
BDBM15960 CCCCOc1nc(NC(C)=O)cc(N)c1C#N
BDBM15961 COc1nc(NC(C)=O)cc(N)c1C#N
BDBM15979 CCOc1nccc(Nc2ccccc2C(O)=O)n1
BDBM15980 CCCOc1nccc(Nc2ccccc2C(O)=O)n1
BDBM16223 c1cc2cccnc2[nH]1
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM17697 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM23408 Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27809 COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27810 COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27811 COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27812 COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27813 COc1cc2CCCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27814 COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27815 COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27816 COc1cc2CCCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27783 COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
BDBM27784 COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
BDBM27785 COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
BDBM27786 COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27787 COc1cc(Cl)c(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27788 COc1ccc(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27789 COc1cc(C)c(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27790 CCCN1CCC(CC1)Oc1ccc(OC)c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c1
BDBM27791 CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl
BDBM27792 COc1ccc(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27793 COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27794 COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
BDBM27795 COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
BDBM27796 COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27797 COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27798 CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
BDBM27799 COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27800 CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
BDBM27801 CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
BDBM27802 CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
BDBM27803 COc1cc2CCN(C(=O)CN3CCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27804 COc1cc2CCN(C(=O)CN3CCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27805 COc1cc2CCN(C(=O)Cn3ccnc3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27806 COc1cc2CCN(C(=O)CN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM27808 COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
BDBM26057 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
BDBM26058 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26060 Cc1nc(Sc2nnnn2-c2ccccc2)sc1C(O)=O
BDBM26062 [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM26059 [O-][N+](=O)c1cnc(Sc2nnnn2-c2ccccc2)s1
BDBM26061 C(Sc1nnnn1-c1ccccc1)c1ccccc1
BDBM29279 CCCCSc1n[nH]c(=O)n1-c1ccccc1
BDBM29280 CCSc1n[nH]c(=O)n1-c1ccccc1
BDBM29281 O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1
BDBM29282 [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
BDBM29283 CC(C)(C)c1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
BDBM29284 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCOc3c2)s1
BDBM29315 Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM29316 [O-][N+](=O)c1cnc(Sc2nnc(NC(=O)c3ccc(F)cc3)s2)s1
BDBM29317 Nc1nnc(SCc2ccc(F)cc2)s1
BDBM29285 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)cc2)s1
BDBM29286 COc1ccc(c(OC)c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(.81,-4.43,;-.52,-3.66,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;.81,.19,;2.15,.96,;3.48,.19,;.81,-1.35,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|
BDBM29287 COc1cc(OC)cc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
BDBM29288 COc1ccc(cc1OC)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
BDBM29289 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc3ccccc23)s1 |(7.87,2.42,;7.37,3.87,;8.39,5.03,;5.86,4.18,;5.22,5.58,;3.69,5.4,;3.39,3.89,;2.23,2.88,;.77,3.38,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,;-.49,2.5,;-.52,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-3.19,-2.12,;-4.52,-1.35,;-4.52,.19,;-3.19,.96,;-1.86,.19,;4.73,3.13,)|
BDBM29290 COc1ccc(OC)c(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(-3.19,-3.66,;-3.19,-2.12,;-1.86,-1.35,;-.52,-2.12,;.81,-1.35,;.81,.19,;2.15,.96,;3.48,.19,;-.52,.96,;-1.86,.19,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|
BDBM29291 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(OC(F)(F)F)cc2)s1
BDBM29292 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)[N+]([O-])=O)s1
BDBM29293 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)c(F)c2)s1
BDBM29294 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(F)c2)s1
BDBM29295 COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
BDBM29296 COc1ccccc1-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(3.48,.19,;2.15,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|
BDBM29297 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(c2)C(F)(F)F)s1
BDBM29298 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)C(F)(F)F)s1
BDBM29299 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)s1
BDBM29300 COc1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
BDBM29301 [O-][N+](=O)c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3OCCOc3c2)s1
BDBM29302 Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl |(-4.53,5.28,;-4.53,3.74,;-5.67,2.71,;-5.03,1.3,;-3.5,1.48,;-3.19,2.98,;-1.72,3.43,;-1.22,4.89,;.32,4.86,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;-.49,2.5,;-.52,.96,;-1.86,.19,;-1.86,-1.35,;-.52,-2.12,;-.52,-3.66,;.81,-1.35,;.81,.19,;2.15,.96,)|
BDBM29303 COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)nnc1-c1ccccc1
BDBM29304 [O-][N+](=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1
BDBM29305 [O-][N+](=O)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1
BDBM29306 [O-][N+](=O)c1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1
BDBM29307 Cn1c(Cc2nc([n-][o+]2)-c2cnccn2)nnc1Sc1ncc(s1)[N+]([O-])=O
BDBM29308 C(Sc1nnc(SCc2ccccc2)s1)c1ccccc1
BDBM29309 Fc1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1
BDBM29310 COc1ccc(CSc2nnc(SCc3ccc(OC)cc3)s2)cc1
BDBM29311 [O-][N+](=O)c1cccc(CSc2nnc(SCc3cccc(c3)[N+]([O-])=O)s2)c1
BDBM29312 [O-][N+](=O)c1ccc(CSc2nnc(SCc3ccc(cc3)[N+]([O-])=O)s2)cc1
BDBM29313 [O-][N+](=O)c1cnc(Sc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)s1
BDBM29314 OC(=O)c1cnc(Sc2nnc(Sc3ncc(s3)C(O)=O)s2)s1
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM32453 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCNCC1
BDBM32454 CN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32455 CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32456 CCCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32457 CC(C)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32458 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1
BDBM32459 CC(=C)CN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32460 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1
BDBM32461 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)C1CC1
BDBM32462 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccco2)CC1
BDBM32463 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccccc2)CC1
BDBM32464 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CCc2ccccc2)CC1
BDBM32465 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)c1ccccn1
BDBM32466 CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32467 FC(F)(F)C(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32468 CC(C)(C)OC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
BDBM32469 Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1
BDBM32470 Fc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1
BDBM32471 Brc1ccc(o1)C(=O)Nc1cccc(Br)c1N1CCN(CC=C)CC1
BDBM32472 FC(F)(F)c1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1
BDBM32473 Brc1ccc(o1)C(=O)Nc1cccc(-c2ccccc2)c1N1CCN(CC=C)CC1
BDBM32474 Brc1ccc(o1)C(=O)Nc1cccc(Nc2ccccc2)c1N1CCN(CC=C)CC1
BDBM32476 Clc1cccc(NC(=O)c2cnc(Br)s2)c1N1CCN(CC=C)CC1
BDBM32477 Clc1cccc(NC(=O)c2nc(Br)cs2)c1N1CCN(CC=C)CC1
BDBM32480 Clc1cccc(NC(=O)c2ccc[nH]2)c1N1CCN(CC=C)CC1
BDBM32483 Cc1cccc(n1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1
BDBM32484 Clc1cccc(NC(=O)c2cccc(Br)c2)c1N1CCN(CC=C)CC1
BDBM32485 Clc1cccc(NC(=O)c2ncccn2)c1N1CCN(CC=C)CC1
BDBM32486 Clc1cccc(NC(=O)c2ccc(cn2)C#N)c1N1CCN(CC=C)CC1
BDBM32487 Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCC2(CC1)OCCO2
BDBM32488 Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2
BDBM32489 Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2
BDBM32490 Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2
BDBM32491 Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
BDBM32492 Cc1cccc(NC(=O)c2ccc(o2)C(F)F)c1N1CCC2(CC1)OCCO2
BDBM32493 CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
BDBM32494 CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
BDBM32495 Cc1cccc(NC(=O)c2ccc(Cc3ccccc3)o2)c1N1CCC2(CC1)OCCO2
BDBM32496 COc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
BDBM32497 CC(=O)Nc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
BDBM32498 Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)o2)c1N1CCC2(CC1)OCCO2
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50001733 Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
BDBM86638 O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
BDBM86626 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
BDBM86627 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
BDBM86628 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Oc2nccc(n2)-c2cccnc2)c1
BDBM86629 CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
BDBM86630 C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
BDBM86632 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
BDBM86633 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
BDBM86636 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
BDBM86637 CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1
BDBM100512 CNC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100621 CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:11.14,8.7,(11.34,5,;10,4.24,;10,2.69,;11.34,3.46,;8.67,5,;7.34,4.24,;7.34,2.69,;6,5,;4.67,4.24,;3.34,4.99,;2,4.24,;2,2.7,;3.34,1.94,;4.67,2.7,;.67,1.92,;-.67,2.7,;-.67,4.24,;-2,1.92,;-3.33,2.7,;-4.67,1.92,;-4.67,.39,;-6,-.39,;-6,-1.92,;-7.34,-2.69,;-7.34,-4.24,;-6,-5,;-4.67,-4.24,;-4.67,-2.69,;-7.34,.39,;-8.67,-.39,;-10,.39,;-11.34,-.39,;-10,1.92,;-8.67,2.7,;-7.34,1.92,;-6,2.7,;-6,4.24,)|
BDBM92522 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cc(OC)c1OC
BDBM92523 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(OC)c1OC
BDBM92524 COc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(C)c3)cn2)cc(OC)c1OC
BDBM92526 Cc1cncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1
BDBM92527 CN(C)c1cc(cc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1)C(=O)Nc1cncc(C)c1
BDBM92528 Cc1cncc(NC(=O)c2cc(cc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)N2CCOCC2)c1
BDBM92529 Cc1cccc(NC(=O)Nc2cnn(c2)-c2cccc(c2)C(=O)NCCN2CCOCC2)c1
BDBM100598 COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100473 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc3nc[nH]c3c1)c2=O)-c1ccccc1
BDBM100538 CC(C)(O)CNC(=O)c1ccc(cc1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100438 Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccnc(c1)N1CCOCC1)c2=O
BDBM100439 Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O
BDBM100440 NC(=O)c1ccc(cc1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100441 COC(=O)c1ccc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100442 Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(Cl)nc1)c2=O
BDBM100443 Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc(nc1)N1CCCCC1)c2=O
BDBM100444 Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccc3OCOc3c1)c2=O
BDBM100445 O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccn(Cc2ccccc2)c(=O)c1
BDBM100446 O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O)c1ccc(nc1)N1CCOCC1
BDBM100447 Cn1cc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O
BDBM100448 OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1c(-c2ncco2)n(-c2ccccc2)c2ncccc2c1=O
BDBM100449 CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100450 CN(C)C(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100451 COc1ccc(cc1)C(=O)NCc1c(C(=O)N(C)C)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100452 CN(C)C(=O)c1c(CNC(=O)c2ccc3ncsc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100453 CN(C)C(=O)c1c(CNC(=O)c2ccc(cc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100454 CN(C)C(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnco2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100455 CN(C)C(=O)c1c(CNC(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100456 CN(C)C(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100457 CN(C)C(=O)c1c(CNC(=O)c2ccc3OCCOc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100458 CN(C)C(=O)c1c(CNC(=O)c2ccn(Cc3ccccc3)c(=O)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100459 CN(C)C(=O)c1c(CNC(=O)c2cnn(C)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100460 CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCC(CO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100463 CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCC(CCO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100555 COC(=O)c1c(CNC(=O)c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100556 COC(=O)c1c(CNC(=O)c2cnc(s2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100557 COC(=O)c1c(CNC(=O)c2ccc(cc2)C(N)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100558 CNC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100559 COC(=O)c1c(CNC(=O)c2cnn(Cc3ccccc3)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100560 COC(=O)c1c(CNC(=O)c2ccc3cc[nH]c3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100561 COC(=O)c1c(CNC(=O)c2cnn(C)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100562 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cc[nH]n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100563 COC(=O)c1c(CNC(=O)c2ccc(cc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100564 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnns2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100565 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2noc(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100566 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nc(C)no2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100567 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2csc(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100568 COC(=O)c1c(CNC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100569 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnn(C)n2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100570 COC(=O)c1c(CNC(=O)C2CCN(CC2)C(C)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100571 COC(=O)c1c(CNC(=O)C2CCN(CC2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100572 COC(=O)c1c(CNC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100573 COC(=O)c1ccc(cc1)C(=O)NCc1c(C(=O)OC)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100574 COC(=O)c1c(CNC(=O)c2ccc(OC)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100542 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)-c1cn[nH]c1)c2=O)-c1ccccc1Cl
BDBM100543 Fc1ccc2c(c1)n(cc(CNC(=O)c1cnn(c1)-c1ccccc1)c2=O)-c1ccccc1F
BDBM100544 Cn1cc(cn1)C(=O)NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O
BDBM100545 Fc1ccc2c(c1)n(cc(CNC(=O)c1ccc(Cl)nc1)c2=O)-c1ccccc1F
BDBM100575 COC(=O)c1c(CNC(=O)c2cccc(OC)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100576 COC(=O)c1c(CNC(=O)c2ccncc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100577 COC(=O)c1c(CNC(=O)c2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100578 COC(=O)c1c(CNC(=O)c2cccc(F)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100579 COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100464 CN(C)C(=O)c1c(CNC(=O)c2cnc(s2)N2CCC(CO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100467 CN(C)C(=O)c1c(CNC(=O)c2cnc(s2)N2CCC(CCO)CC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100468 CN(C)C(=O)c1c(CNC(=O)c2ccc(nc2)N2CCCCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100469 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccn(Cc3ccccc3)c(=O)c1)c2=O)-c1ccccc1
BDBM100470 Cn1cc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100471 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccnc(c1)N1CCOCC1)c2=O)-c1ccccc1
BDBM100472 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccnc(c1)N1CCCC1)c2=O)-c1ccccc1
BDBM100474 Clc1ccc(Cn2ccc(cc2=O)C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM100475 COc1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100476 NS(=O)(=O)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100477 Clc1ccc2c(c1)n(cc(CNC(=O)c1cnn(c1)-c1ccccc1)c2=O)-c1ccccc1
BDBM100478 COc1cccc(Cn2ccc(cc2=O)C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)c1
BDBM100479 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccn(Cc3ccccc3Cl)c(=O)c1)c2=O)-c1ccccc1
BDBM100480 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O)-c1ccccc1
BDBM100481 CN(C)c1cc(ccn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100482 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc3scnc3c1)c2=O)-c1ccccc1
BDBM100484 Clc1cccc(Cn2ccc(cc2=O)C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)c1
BDBM100485 Cn1cnc2cc(cnc12)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100487 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(cc1)-c1cnco1)c2=O)-c1ccccc1
BDBM100488 COc1ccccc1Cn1ccc(cc1=O)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100490 NC(=O)c1ccc(cc1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100491 CC(C)(C)OC(=O)N1CCC(C1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100492 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(=O)n(Cc3ccccc3)c1)c2=O)-c1ccccc1
BDBM100493 Cn1cc(nn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100494 Cn1ccc(cc1=O)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100495 Clc1ccc2c(c1)n(cc(CNC(=O)c1cn(Cc3ccccc3)nn1)c2=O)-c1ccccc1
BDBM100496 Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(nc1)N1CCOCC1)c2=O)-c1ccccc1
BDBM100497 COc1ccc(cc1OC)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100498 Fc1cc(F)cc(c1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100499 Fc1cccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)c1F
BDBM100500 Fc1ccc(F)c(c1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100501 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(Cl)nc1)c2=O)-c1ccccc1
BDBM100502 CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |THB:5:7:12.13:10,14:13:7.8:10|
BDBM100503 OCCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100504 OCCN(CCO)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100505 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCCC1)c2=O)-c1ccccc1
BDBM100506 CN(CCO)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100507 OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100508 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCCCC1)c2=O)-c1ccccc1
BDBM100509 CS(=O)(=O)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100510 O[C@@H]1CCN(C1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r|
BDBM100511 COC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100513 NC(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100514 COCCNc1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100515 CN(C)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100516 OC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100517 OCCNc1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100518 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(NC3CCOCC3)nc1)c2=O)-c1ccccc1
BDBM100519 CN(C)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100520 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCS(=O)(=O)CC1)c2=O)-c1ccccc1
BDBM100521 CC(C)(C)OC(=O)NC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100580 COC(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100581 COC(=O)c1c(CNC(=O)c2ccc(F)c(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100582 COC(=O)c1c(CNC(=O)c2cccc(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100583 COC(=O)c1c(CNC(=O)c2ccc(OC)c(OC)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100584 COC(=O)c1c(CNC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100585 COC(=O)c1c(CNC(=O)c2ccccc2F)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100586 COC(=O)c1c(CNC(=O)c2ccccn2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100587 COC(=O)c1c(CNC(=O)C(C)C)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100588 COC(=O)c1c(CNC(=O)c2ccccc2Cl)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100589 COC(=O)c1c(CNC(=O)c2ccccc2OC)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100590 COC(=O)c1c(CNC(=O)c2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100591 COC(=O)c1c(CNC(=O)c2ccccc2)c(=O)c2ccccc2n1-c1ccccc1
BDBM100592 COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100594 COC(=O)c1c(CNC(=O)c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100595 COC(=O)c1c(CNC(=O)c2ccc(cc2)C(N)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100597 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnn(C)n2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100599 COC(=O)c1c(CNC(=O)c2ccc(Cl)c(Cl)c2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100600 COC(=O)c1c(CNC(=O)c2cccc(Cl)c2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100601 COC(=O)c1c(CNC(=O)c2cccc(OC)c2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100602 COC(=O)c1c(CNC(=O)c2ccc(F)c(F)c2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100603 COC(=O)c1c(CNC(=O)c2ccc(cc2)C(C)(C)C)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100604 COC(=O)c1c(CNC(=O)c2ccc(OC)cc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100605 COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100606 COC(=O)c1c(CNC(=O)c2ccc(F)cc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100607 COC(=O)c1c(CNC(=O)c2ccc(cc2)N(C)C)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100608 COC(=O)c1c(CNC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
BDBM100609 COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM100610 COC(=O)c1c(CNC(=O)c2ccc(Cl)nc2)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM100611 COc1cc2ncnc(NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)c2cc1OC
BDBM100612 Fc1ccc2c(NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)ncnc2c1
BDBM100613 Clc1ccc2c(c1)n(cc(CNc1cc(ncn1)N1CCCCC1)c2=O)-c1ccccc1
BDBM100615 Clc1ccc2c(c1)n(cc(CNc1nc3ccccc3s1)c2=O)-c1ccccc1
BDBM100616 Clc1ccc2c(c1)n(cc(CNc1nc3ccccc3[nH]1)c2=O)-c1ccccc1
BDBM100617 Clc1ccc2c(c1)n(cc(CN=C(NC#N)N1CCOCC1)c2=O)-c1ccccc1 |w:11.11|
BDBM100618 Clc1ccc2c(c1)n(cc(CN=C(NC#N)Nc1ccccc1)c2=O)-c1ccccc1 |w:11.11|
BDBM100619 Clc1ccc2c(c1)n(cc(CNC(=O)Oc1ccccc1)c2=O)-c1ccccc1
BDBM100522 CN1CCCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100523 OCCN1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100524 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCCC1)c2=O)-c1ccccc1
BDBM100525 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCNCC1)c2=O)-c1ccccc1
BDBM100526 NC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100527 O[C@H]1CCN(C1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r|
BDBM100528 CN1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100529 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CC3CC1CN3)c2=O)-c1ccccc1 |TLB:17:20:26.25:23|
BDBM100530 NC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100531 Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCCCC1)c2=O)-c1ccccc1
BDBM100532 CS(=O)(=O)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100533 OCC1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100534 OC1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100535 CN1CCN(CC1)c1ncc(s1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100536 Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCOCC1)c2=O)-c1ccccc1
BDBM100537 Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc(s1)N1CCS(=O)(=O)CC1)c2=O)-c1ccccc1
BDBM100539 OC12CC3CC(C1)C(NC(=O)c1ccc(cc1)C(=O)NCc1cn(-c4ccccc4)c4cc(Cl)ccc4c1=O)C(C3)C2 |TLB:4:3:41:7.5.6,4:5:41:3.2.40,8:7:41:3.2.40,8:7:3.4.40:41.1.6,THB:2:3:7:41.1.6,2:1:7:3.4.40,(9.09,6.34,;9.09,4.8,;10.42,4.03,;10.42,2.49,;9.52,.57,;8.32,1.23,;8.33,3.63,;6.92,.59,;6.92,-.95,;5.59,-1.72,;5.59,-3.26,;4.25,-.95,;2.92,-1.72,;1.59,-.95,;1.59,.59,;2.92,1.36,;4.25,.59,;.25,1.36,;.25,2.9,;-1.08,.59,;-2.41,1.36,;-3.75,.59,;-3.75,-.95,;-5.08,-1.72,;-5.08,-3.26,;-6.42,-4.03,;-6.42,-5.57,;-5.08,-6.34,;-3.75,-5.57,;-3.75,-4.03,;-6.42,-.95,;-7.75,-1.72,;-9.08,-.95,;-10.42,-1.72,;-9.08,.59,;-7.75,1.36,;-6.42,.59,;-5.08,1.36,;-5.08,2.9,;7.76,2.49,;9.09,1.72,;7.76,4.03,)|
BDBM100620 Clc1ccc2c(c1)n(cc(CNC(=O)N1CCN(CC1)c1ccccc1)c2=O)-c1ccccc1
BDBM100623 CC(C)(C)OC(=O)N1CCC(C1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100624 Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCCC1)c2=O)-c1ccccc1
BDBM100625 COC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:7.10,4.3,(10,4.24,;8.67,3.47,;7.34,4.24,;7.34,5.78,;6,3.47,;4.67,4.24,;3.33,3.47,;3.33,1.93,;4.67,1.16,;6,1.93,;2,1.16,;.67,1.93,;.67,3.47,;-.67,1.16,;-2,1.93,;-3.33,1.15,;-3.33,-.39,;-4.67,-1.16,;-4.67,-2.7,;-6,-3.47,;-6,-5.01,;-4.67,-5.78,;-3.33,-5.01,;-3.33,-3.47,;-6,-.39,;-7.34,-1.16,;-8.67,-.39,;-10,-1.16,;-8.67,1.15,;-7.34,1.92,;-6,1.15,;-4.67,1.92,;-4.67,3.46,)|
BDBM100626 Clc1ccc2c(c1)n(cc(CNC(=O)N1CCCC1)c2=O)-c1ccccc1
BDBM100627 CN1CCN(CC1)C(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100628 Clc1ccc2c(c1)n(cc(CNC(=O)N1CCNCC1)c2=O)-c1ccccc1
BDBM100629 COC(=O)[C@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:7.10,wD:4.3,(10,4.23,;8.67,3.47,;7.34,4.23,;7.34,5.78,;6,3.47,;4.67,4.24,;3.33,3.47,;3.33,1.93,;4.67,1.15,;6,1.93,;2,1.15,;.67,1.93,;.67,3.47,;-.67,1.15,;-2,1.93,;-3.33,1.15,;-3.33,-.38,;-4.67,-1.15,;-4.67,-2.69,;-6,-3.47,;-6,-5,;-4.67,-5.78,;-3.33,-5,;-3.33,-3.47,;-6,-.38,;-7.34,-1.15,;-8.67,-.38,;-10,-1.15,;-8.67,1.15,;-7.34,1.93,;-6,1.15,;-4.67,1.93,;-4.67,3.47,)|
BDBM100630 Clc1ccc2c(c1)n(cc(CNC(=O)N1CCC(CC1)c1ccccc1)c2=O)-c1ccccc1
BDBM100540 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(cc1)N1CCOCC1)c2=O)-c1ccccc1Cl
BDBM100541 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(Br)nc1)c2=O)-c1ccccc1Cl
BDBM100546 OCC1CCN(CC1)c1ccc(cn1)C(=O)NCc1cn(-c2ccccc2F)c2cc(F)ccc2c1=O
BDBM100547 Fc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCS(=O)(=O)CC1)c2=O)-c1ccccc1F
BDBM100548 Fc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCOCC1)c2=O)-c1ccccc1F
BDBM100549 COC(=O)c1c(CNC(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100550 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cnco2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100551 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2nnc[nH]2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100552 COC(=O)c1c(CNC(=O)c2ccc(nc2)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100553 COC(=O)c1c(CNC(=O)c2ccc3scnc3c2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100437 Clc1ccc2c(c1)n(-c1ccccc1)c(-c1ncco1)c(CNC(=O)c1ccn(Cc3ccccc3)c(=O)c1)c2=O
BDBM100622 CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:11.14,wD:8.7,(11.34,5,;10,4.24,;10,2.69,;11.34,3.46,;8.67,5,;7.34,4.24,;7.34,2.69,;6,5,;4.67,4.24,;3.34,4.99,;2,4.24,;2,2.7,;3.34,1.94,;4.67,2.7,;.67,1.92,;-.67,2.7,;-.67,4.24,;-2,1.92,;-3.33,2.7,;-4.67,1.92,;-4.67,.39,;-6,-.39,;-6,-1.92,;-7.34,-2.69,;-7.34,-4.24,;-6,-5,;-4.67,-4.24,;-4.67,-2.69,;-7.34,.39,;-8.67,-.39,;-10,.39,;-11.34,-.39,;-10,1.92,;-8.67,2.7,;-7.34,1.92,;-6,2.7,;-6,4.24,)|
BDBM100489 Clc1ccc2c(c1)n(cc(CNC(=O)c1cnc3nc[nH]c3c1)c2=O)-c1ccccc1
BDBM100593 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM100483 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(cc1)-c1nnc[nH]1)c2=O)-c1ccccc1
BDBM100486 Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc3cc[nH]c3c1)c2=O)-c1ccccc1
BDBM100596 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2cc[nH]n2)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM102570 CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-2.41,-5.01,;-3.75,-4.24,;-5.08,-5.01,;-6.41,-4.24,;-7.75,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)|
BDBM102571 CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-2.41,-5.01,;-3.75,-4.24,;-5.08,-5.01,;-6.41,-4.24,;-7.75,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)|
BDBM102572 C[C@@H]1CN(CCN1c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1)C(C)=O |r,wU:22.24,wD:25.31,1.0,(2.55,1.74,;2.95,.25,;4.43,-.15,;4.83,-1.64,;3.74,-2.73,;2.26,-2.33,;1.86,-.84,;.37,-.44,;-.77,-1.47,;-2.24,-1,;-2.56,.51,;-1.41,1.54,;-1.41,3.08,;.05,3.56,;.95,2.31,;.05,1.06,;-2.75,3.85,;-2.75,5.39,;-4.08,6.16,;-5.42,5.39,;-5.42,3.85,;-6.75,3.08,;-6.75,1.54,;-5.42,.77,;-5.42,-.77,;-6.75,-1.54,;-8.08,-.77,;-8.08,.77,;-6.75,-3.08,;-8.08,-3.85,;-5.42,-3.85,;-5.42,-5.39,;-4.08,-6.16,;-2.75,-5.39,;-1.41,-6.16,;-2.75,-3.85,;-4.08,-3.08,;-4.08,3.08,;6.32,-2.04,;6.72,-3.52,;7.41,-.95,)|
BDBM102573 CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:32.34,wD:35.41,(10.7,-6.58,;9.21,-6.18,;8.12,-7.27,;9.61,-4.7,;8.81,-4.7,;7.32,-4.3,;6.24,-5.39,;6.93,-2.81,;5.44,-2.41,;5.04,-.92,;6.13,.17,;3.55,-.53,;2.46,-1.61,;.98,-1.22,;.58,.27,;1.67,1.36,;3.15,.96,;-.91,.67,;-2.06,-.36,;-3.52,.12,;-3.84,1.62,;-2.7,2.65,;-2.7,4.19,;-1.23,4.67,;-.33,3.42,;-1.23,2.18,;-4.03,4.96,;-4.03,6.5,;-5.36,7.27,;-6.7,6.5,;-6.7,4.96,;-8.03,4.19,;-8.03,2.65,;-6.7,1.88,;-6.7,.34,;-8.03,-.43,;-9.36,.34,;-9.36,1.88,;-8.03,-1.97,;-9.36,-2.74,;-10.7,-1.97,;-9.36,-4.28,;-8.03,-3.51,;-5.36,4.19,)|
BDBM102574 CN(C)CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.29,wD:30.36,(7.03,-6.13,;6.63,-4.64,;5.15,-4.24,;7.72,-3.55,;7.32,-2.07,;8.41,-.98,;5.84,-1.67,;4.75,-2.76,;3.26,-2.36,;2.86,-.87,;3.95,.22,;5.44,-.18,;1.37,-.47,;.23,-1.5,;-1.24,-1.03,;-1.56,.48,;-.41,1.51,;-.41,3.05,;1.05,3.53,;1.96,2.28,;1.05,1.03,;-1.74,3.82,;-1.74,5.36,;-3.08,6.13,;-4.41,5.36,;-4.41,3.82,;-5.75,3.05,;-5.75,1.51,;-4.41,.74,;-4.41,-.8,;-5.75,-1.57,;-7.08,-.8,;-7.08,.74,;-5.75,-3.11,;-7.08,-3.88,;-8.41,-3.11,;-7.08,-5.42,;-5.75,-4.65,;-3.08,3.05,)|
BDBM102575 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CN |r,wU:8.11,wD:5.4,(-8.41,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-5.75,-5.01,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;8.41,-1.33,;7.72,-3.91,;6.63,-5,)|
BDBM102576 O[C@@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1 |r,wU:9.12,wD:6.5,1.0,(-13.08,1.6,;-12.31,2.94,;-12.78,4.4,;-11.54,5.31,;-10.29,4.4,;-8.96,5.17,;-7.63,4.4,;-7.63,2.86,;-6.29,2.09,;-4.96,2.86,;-4.96,4.4,;-6.29,5.17,;-3.62,2.09,;-2.29,2.86,;-2.29,4.4,;-.96,5.17,;.38,4.4,;.38,2.86,;-.96,2.09,;1.71,2.09,;3.17,2.57,;4.08,1.32,;3.17,.08,;3.49,-1.43,;2.35,-2.46,;.89,-1.98,;.57,-.48,;1.71,.55,;4.98,-1.83,;5.38,-3.32,;6.87,-3.71,;7.96,-2.62,;7.56,-1.14,;6.07,-.74,;9.44,-3.02,;10.53,-1.93,;9.84,-4.51,;11.33,-4.91,;12.82,-5.31,;-10.77,2.94,)|
BDBM102577 CN(C)CCN([C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N)S(C)(=O)=O |r,wU:9.12,wD:6.5,(-3.01,-6.51,;-3.41,-5.02,;-2.32,-3.93,;-4.9,-4.62,;-5.3,-3.13,;-6.78,-2.73,;-6.78,-1.19,;-5.45,-.42,;-5.45,1.12,;-6.78,1.89,;-8.12,1.12,;-8.12,-.42,;-6.78,3.43,;-5.45,4.2,;-5.45,5.74,;-4.12,6.51,;-2.78,5.74,;-2.78,4.2,;-4.12,3.43,;-1.45,3.43,;.01,3.9,;.92,2.66,;.01,1.41,;.33,-.1,;-.81,-1.13,;-2.27,-.65,;-2.59,.86,;-1.45,1.89,;1.82,-.49,;2.22,-1.98,;3.71,-2.38,;4.8,-1.29,;4.4,.2,;2.91,.59,;6.28,-1.69,;7.37,-.6,;6.68,-3.18,;8.17,-3.58,;9.66,-3.98,;-8.12,-3.5,;-8.12,-5.04,;-9.66,-3.5,;-8.12,-1.96,)|
BDBM102578 OC[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:5.8,wD:2.1,(-5.68,-4.22,;-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)|
BDBM102579 O[C@H]1CCN(C[C@H]2CC[C@@H](CC2)Nc2nccc(n2)-n2ccc3c(cccc23)N2CCN(CC2)C(=O)CC#N)C1 |r,wU:9.12,1.0,wD:6.5,(-9.73,-6.68,;-8.96,-5.35,;-9.86,-4.1,;-8.96,-2.85,;-7.49,-3.33,;-6.16,-2.56,;-6.16,-1.02,;-4.83,-.25,;-4.83,1.29,;-6.16,2.06,;-7.49,1.29,;-7.49,-.25,;-6.16,3.6,;-4.83,4.37,;-4.83,5.91,;-3.49,6.68,;-2.16,5.91,;-2.16,4.37,;-3.49,3.6,;-.83,3.6,;.64,4.08,;1.54,2.83,;.64,1.58,;.96,.08,;-.19,-.95,;-1.65,-.48,;-1.97,1.03,;-.83,2.06,;2.45,-.32,;2.85,-1.81,;4.33,-2.21,;5.42,-1.12,;5.02,.37,;3.54,.77,;6.91,-1.52,;8,-.43,;7.31,-3,;8.8,-3.4,;9.19,-4.89,;-7.49,-4.87,)|
BDBM102580 CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](CN3CC[C@@H](O)C3)CC2)n1 |r,wU:24.26,wD:27.30,32.35,(7.99,-3,;7.6,-1.52,;8.68,-.43,;6.11,-1.12,;5.02,-2.21,;3.53,-1.81,;3.13,-.32,;4.22,.77,;5.71,.37,;1.65,.08,;.5,-.95,;-.96,-.48,;-1.28,1.03,;-.14,2.06,;-.14,3.6,;1.32,4.08,;2.23,2.83,;1.32,1.58,;-1.47,4.37,;-1.47,5.91,;-2.81,6.68,;-4.14,5.91,;-4.14,4.37,;-5.47,3.6,;-5.47,2.06,;-4.14,1.29,;-4.14,-.25,;-5.47,-1.02,;-5.47,-2.56,;-6.81,-3.33,;-8.27,-2.85,;-9.18,-4.1,;-8.27,-5.35,;-9.04,-6.68,;-6.81,-4.87,;-6.81,-.25,;-6.81,1.29,;-2.81,3.6,)|
BDBM102581 CCOC1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:14.18,wD:11.11,(-5.89,-12.04,;-6.29,-10.56,;-5.2,-9.47,;-5.6,-7.98,;-7.09,-7.58,;-7.49,-6.09,;-6.4,-5.01,;-4.91,-5.4,;-4.51,-6.89,;-6.8,-3.52,;-8.29,-3.12,;-5.71,-2.43,;-4.22,-2.83,;-3.13,-1.74,;-3.53,-.25,;-5.02,.15,;-6.11,-.94,;-2.44,.84,;-2.84,2.33,;-4.33,2.72,;-4.73,4.21,;-3.64,5.3,;-2.15,4.9,;-1.75,3.41,;-1.06,5.99,;-1.06,7.53,;.4,8.01,;1.31,6.76,;2.84,6.6,;3.47,5.19,;2.56,3.95,;1.03,4.11,;.4,5.51,;3.93,7.69,;5.42,7.29,;6.51,8.38,;6.11,9.87,;4.62,10.27,;3.53,9.18,;7.2,10.96,;8.29,12.04,;6.11,12.04,;8.29,9.87,)|
BDBM102561 CC(=O)OCC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:28.30,wD:31.37,(9.75,-5.64,;8.27,-5.24,;7.18,-6.33,;7.87,-3.75,;6.38,-3.35,;5.98,-1.87,;7.07,-.78,;4.49,-1.47,;3.41,-2.56,;1.92,-2.16,;1.52,-.67,;2.61,.42,;4.1,.02,;.03,-.27,;-1.11,-1.3,;-2.58,-.83,;-2.9,.68,;-1.75,1.71,;-1.75,3.25,;-.29,3.73,;.62,2.48,;-.29,1.23,;-3.09,4.02,;-3.09,5.56,;-4.42,6.33,;-5.75,5.56,;-5.75,4.02,;-7.09,3.25,;-7.09,1.71,;-5.75,.94,;-5.75,-.6,;-7.09,-1.37,;-8.42,-.6,;-8.42,.94,;-7.09,-2.91,;-8.42,-3.68,;-9.75,-2.91,;-8.42,-5.22,;-7.09,-4.45,;-4.42,3.25,)|
BDBM102562 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CO |r,wU:8.11,wD:5.4,(-8.81,-3.47,;-7.48,-4.24,;-7.48,-5.78,;-6.14,-5.01,;-6.14,-3.47,;-6.14,-1.93,;-4.81,-1.16,;-4.81,.38,;-6.14,1.15,;-7.48,.38,;-7.48,-1.16,;-6.14,2.69,;-4.81,3.46,;-4.81,5,;-3.48,5.78,;-2.14,5,;-2.14,3.46,;-3.48,2.69,;-.81,2.69,;.66,3.17,;1.56,1.92,;.66,.68,;.98,-.83,;-.17,-1.86,;-1.63,-1.38,;-1.95,.12,;-.81,1.15,;2.46,-1.23,;2.86,-2.71,;4.35,-3.11,;5.44,-2.02,;5.04,-.54,;3.55,-.14,;6.93,-2.42,;8.01,-1.33,;7.32,-3.91,;8.81,-4.31,)|
BDBM102563 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(5.57,-4.44,;6.66,-3.35,;7.75,-2.27,;7.06,-4.84,;5.17,-2.96,;4.08,-4.04,;2.59,-3.65,;2.19,-2.16,;3.28,-1.07,;4.77,-1.47,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;-2.41,2.53,;-2.41,4.07,;-3.75,4.84,;-5.08,4.07,;-5.08,2.53,;-6.41,1.76,;-6.41,.22,;-5.08,-.55,;-5.08,-2.09,;-6.41,-2.86,;-6.41,-4.4,;-7.75,-2.09,;-7.75,-.55,;-3.75,1.76,)|
BDBM102564 CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-3.75,-3.47,;-5.08,-4.24,;-5.08,-5.78,;-6.41,-3.47,;-6.41,-1.93,;-5.08,-1.16,;-5.08,.38,;-6.41,1.15,;-7.75,.38,;-7.75,-1.16,;-6.41,2.69,;-5.08,3.46,;-5.08,5,;-3.75,5.78,;-2.41,5,;-2.41,3.46,;-3.75,2.69,;-1.08,2.69,;.39,3.17,;1.29,1.92,;.39,.68,;.71,-.83,;-.44,-1.86,;-1.9,-1.38,;-2.22,.12,;-1.08,1.15,;2.19,-1.23,;2.59,-2.71,;4.08,-3.11,;5.17,-2.02,;4.77,-.54,;3.28,-.14,;6.66,-2.42,;5.57,-3.51,;7.75,-1.33,;7.06,-3.91,)|
BDBM102565 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-7.75,-5.01,;-6.41,-4.24,;-5.08,-3.47,;-5.08,-5.01,;-6.41,-2.7,;-5.08,-1.93,;-5.08,-.39,;-6.41,.38,;-7.75,-.39,;-7.75,-1.93,;-6.41,1.92,;-5.08,2.69,;-5.08,4.23,;-3.75,5.01,;-2.41,4.23,;-2.41,2.69,;-3.75,1.92,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;2.19,-2,;2.59,-3.48,;4.08,-3.88,;5.17,-2.79,;4.77,-1.31,;3.28,-.91,;6.66,-3.19,;5.57,-4.28,;7.75,-2.1,;7.06,-4.68,)|
BDBM102566 CN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:10.13,wD:7.6,(-2.21,-4.72,;-3.75,-4.72,;-2.98,-6.06,;-5.08,-3.95,;-5.08,-5.49,;-3.75,-3.18,;-6.41,-3.18,;-6.41,-1.64,;-5.08,-.87,;-5.08,.67,;-6.41,1.44,;-7.75,.67,;-7.75,-.87,;-6.41,2.98,;-5.08,3.75,;-5.08,5.29,;-3.75,6.06,;-2.41,5.29,;-2.41,3.75,;-3.75,2.98,;-1.08,2.98,;.39,3.45,;1.29,2.21,;.39,.96,;.71,-.55,;-.44,-1.58,;-1.9,-1.1,;-2.22,.41,;-1.08,1.44,;2.19,-.94,;2.59,-2.43,;4.08,-2.83,;5.17,-1.74,;4.77,-.25,;3.28,.15,;6.66,-2.14,;5.57,-3.23,;7.75,-1.05,;7.06,-3.63,)|
BDBM102567 C[C@]1(O)CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:5.8,1.0,wD:1.1,(-5.08,-3.63,;-6.41,-2.86,;-6.41,-4.4,;-5.08,-2.09,;-5.08,-.55,;-6.41,.22,;-7.75,-.55,;-7.75,-2.09,;-6.41,1.76,;-5.08,2.53,;-5.08,4.07,;-3.75,4.84,;-2.41,4.07,;-2.41,2.53,;-3.75,1.76,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;2.19,-2.16,;2.59,-3.65,;4.08,-4.04,;5.17,-2.96,;4.77,-1.47,;3.28,-1.07,;6.66,-3.35,;5.57,-4.44,;7.75,-2.27,;7.06,-4.84,)|
BDBM102568 C[C@@]1(O)CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:1.1,5.8,wD:1.0,(-5.08,-3.63,;-6.41,-2.86,;-6.41,-4.4,;-5.08,-2.09,;-5.08,-.55,;-6.41,.22,;-7.75,-.55,;-7.75,-2.09,;-6.41,1.76,;-5.08,2.53,;-5.08,4.07,;-3.75,4.84,;-2.41,4.07,;-2.41,2.53,;-3.75,1.76,;-1.08,1.76,;.39,2.24,;1.29,.99,;.39,-.25,;.71,-1.76,;-.44,-2.79,;-1.9,-2.31,;-2.22,-.81,;-1.08,.22,;2.19,-2.16,;2.59,-3.65,;4.08,-4.04,;5.17,-2.96,;4.77,-1.47,;3.28,-1.07,;6.66,-3.35,;5.57,-4.44,;7.75,-2.27,;7.06,-4.84,)|
BDBM102569 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:25.27,wD:28.34,(5.57,-3.13,;6.66,-2.04,;7.75,-.95,;7.06,-3.52,;5.17,-1.64,;4.08,-2.73,;2.59,-2.33,;2.19,-.84,;3.28,.25,;4.77,-.15,;.71,-.44,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;-2.41,3.85,;-2.41,5.39,;-3.75,6.16,;-5.08,5.39,;-5.08,3.85,;-6.41,3.08,;-6.41,1.54,;-5.08,.77,;-5.08,-.77,;-6.41,-1.54,;-7.75,-.77,;-7.75,.77,;-6.41,-3.08,;-7.75,-3.85,;-5.08,-3.85,;-5.08,-5.39,;-3.75,-6.16,;-2.41,-5.39,;-1.08,-6.16,;-2.41,-3.85,;-3.75,-3.08,;-3.75,3.08,)|
BDBM102552 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCNCC1 |r,wU:8.11,wD:5.4,(-5.79,-5.78,;-5.79,-4.24,;-7.12,-3.47,;-4.46,-5.01,;-4.46,-3.47,;-4.46,-1.93,;-3.12,-1.16,;-3.12,.38,;-4.46,1.15,;-5.79,.38,;-5.79,-1.16,;-4.46,2.69,;-3.12,3.46,;-3.12,5,;-1.79,5.78,;-.46,5,;-.46,3.46,;-1.79,2.69,;.88,2.69,;2.34,3.17,;3.25,1.92,;2.34,.68,;2.66,-.83,;1.52,-1.86,;.05,-1.38,;-.27,.12,;.88,1.15,;4.15,-1.23,;4.55,-2.71,;6.04,-3.11,;7.12,-2.02,;6.73,-.54,;5.24,-.14,)|
BDBM102553 O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCCCC1 |r,wU:4.7,wD:1.0,(-5.12,-4.62,;-5.12,-3.08,;-3.79,-2.31,;-3.79,-.77,;-5.12,,;-6.46,-.77,;-6.46,-2.31,;-5.12,1.54,;-3.79,2.31,;-3.79,3.85,;-2.46,4.62,;-1.12,3.85,;-1.12,2.31,;-2.46,1.54,;.21,1.54,;1.68,2.02,;2.58,.77,;1.68,-.48,;2,-1.98,;.85,-3.01,;-.61,-2.54,;-.93,-1.03,;.21,,;3.48,-2.38,;3.88,-3.87,;5.37,-4.27,;6.46,-3.18,;6.06,-1.69,;4.57,-1.29,)|
BDBM102554 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-8.41,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-5.75,-5.01,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,;6.24,-3.51,)|
BDBM102555 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(O)CC1 |r,wU:8.11,wD:5.4,(-5.87,-5.01,;-4.53,-4.24,;-4.53,-5.78,;-3.2,-3.47,;-5.87,-3.47,;-5.87,-1.93,;-4.53,-1.16,;-4.53,.38,;-5.87,1.15,;-7.2,.38,;-7.2,-1.16,;-5.87,2.69,;-4.53,3.46,;-4.53,5,;-3.2,5.78,;-1.87,5,;-1.87,3.46,;-3.2,2.69,;-.53,2.69,;.93,3.17,;1.84,1.92,;.93,.68,;1.25,-.83,;.11,-1.86,;-1.36,-1.38,;-1.68,.12,;-.53,1.15,;2.74,-1.23,;3.14,-2.71,;4.63,-3.11,;5.71,-2.02,;7.2,-2.42,;5.32,-.54,;3.83,-.14,)|
BDBM102556 CN([C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(C)=O)S(C)(=O)=O |r,wU:5.8,wD:2.1,(-4.41,-4.24,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,;-7.08,-4.24,;-8.41,-3.47,;-7.08,-5.78,;-7.85,-2.9,)|
BDBM102557 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-6.41,-5.01,;-5.08,-4.24,;-5.08,-5.78,;-3.75,-3.47,;-6.41,-3.47,;-6.41,-1.93,;-5.08,-1.16,;-5.08,.38,;-6.41,1.15,;-7.75,.38,;-7.75,-1.16,;-6.41,2.69,;-5.08,3.46,;-5.08,5,;-3.75,5.78,;-2.41,5,;-2.41,3.46,;-3.75,2.69,;-1.08,2.69,;.39,3.17,;1.29,1.92,;.39,.68,;.71,-.83,;-.44,-1.86,;-1.9,-1.38,;-2.22,.12,;-1.08,1.15,;2.19,-1.23,;2.59,-2.71,;4.08,-3.11,;5.17,-2.02,;4.77,-.54,;3.28,-.14,;6.66,-2.42,;5.57,-3.51,;7.75,-1.33,;7.06,-3.91,)|
BDBM102558 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(N)=O |r,wU:8.11,wD:5.4,(-8.41,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-5.75,-5.01,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.16,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.16,;-5.75,2.69,;-4.41,3.46,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.46,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;2.86,-1.23,;3.26,-2.71,;4.75,-3.11,;5.84,-2.02,;5.44,-.54,;3.95,-.14,;7.32,-2.42,;7.72,-3.91,;8.41,-1.33,)|
BDBM102559 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)S(N)(=O)=O |r,wU:8.11,wD:5.4,(-8.64,-3.47,;-7.3,-4.24,;-7.3,-5.78,;-5.97,-5.01,;-5.97,-3.47,;-5.97,-1.93,;-4.64,-1.16,;-4.64,.38,;-5.97,1.15,;-7.3,.38,;-7.3,-1.16,;-5.97,2.69,;-4.64,3.46,;-4.64,5,;-3.3,5.78,;-1.97,5,;-1.97,3.46,;-3.3,2.69,;-.64,2.69,;.83,3.17,;1.73,1.92,;.83,.68,;1.15,-.83,;0,-1.86,;-1.46,-1.38,;-1.78,.12,;-.64,1.15,;2.64,-1.23,;3.03,-2.71,;4.52,-3.11,;5.61,-2.02,;5.21,-.54,;3.72,-.14,;7.1,-2.42,;7.5,-3.91,;8.19,-1.33,;8.64,-2.42,)|
BDBM102560 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-9.56,-3.47,;-8.22,-4.24,;-8.22,-5.78,;-6.89,-5.01,;-6.89,-3.47,;-6.89,-1.93,;-5.55,-1.16,;-5.55,.38,;-6.89,1.15,;-8.22,.38,;-8.22,-1.16,;-6.89,2.69,;-5.55,3.46,;-5.55,5,;-4.22,5.78,;-2.89,5,;-2.89,3.46,;-4.22,2.69,;-1.55,2.69,;-.09,3.17,;.82,1.92,;-.09,.68,;.23,-.83,;-.91,-1.86,;-2.38,-1.38,;-2.7,.12,;-1.55,1.15,;1.72,-1.23,;2.12,-2.71,;3.61,-3.11,;4.69,-2.02,;4.3,-.54,;2.81,-.14,;6.18,-2.42,;7.27,-1.33,;6.58,-3.91,;8.07,-4.31,;9.56,-4.71,)|
BDBM100632 CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100633 Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)C(=O)Oc1ccccc1)c2=O)-c1ccccc1
BDBM100634 Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)C(=O)c1ccccc1)c2=O)-c1ccccc1
BDBM100635 Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)C(=O)OCc1ccccc1)c2=O)-c1ccccc1
BDBM100636 Clc1ccc2c(c1)n(cc(CNC(=O)NC1CCN(CC1)S(=O)(=O)c1ccccc1)c2=O)-c1ccccc1
BDBM100637 CS(=O)(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100638 CC(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100639 CS(=O)(=O)C1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O
BDBM100640 Clc1ccc2c(c1)n(cc(CNC(=O)N1CCOCC1)c2=O)-c1ccccc1
BDBM100641 Clc1ccc2c(c1)n(cc(CNC(=O)Nc1ccccc1)c2=O)-c1ccccc1
BDBM100642 CN(C)c1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM100643 COc1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM100644 Fc1cc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)ccc1Cl
BDBM100645 FC(F)(F)Oc1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM100646 COC(=O)c1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM100647 COC(=O)c1c(CNc2nccc3ccccc23)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100648 COC(=O)c1c(CNc2ncnc3ccccc23)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100649 COC(=O)c1c(CNC(=O)N2CCOCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100650 COC(=O)c1c(CNC(=O)Oc2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM100651 COC(=O)c1c(CN(C)C(=O)c2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM103906 COc1cc(ccc1OCC(C)(C)O)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
BDBM103907 COc1cc(ccc1OCC(C)(C)O)-n1ccc(SCc2ccc(Cl)cc2)cc1=O
BDBM103908 NOOSc1ccc(CC[N]23CC4=CC=CC=[N]4[Re+]2[N]2=C(C3)C=CC=C2)cc1 |c:14,16,21,25,27,t:12|
BDBM103909 NOOSc1ccc(CC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:17,21,23|
BDBM103910 CN1C=C[N]2=C1C[N]1(CCc3ccc(SOON)cc3)CC3=[N](C=CN3C)[Re+]21 |c:2,4,25,t:23|
BDBM102598 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN(CC2)C2CC2)n1 |r,wU:25.27,wD:28.34,(8.28,11.5,;7.2,10.41,;6.11,11.5,;8.28,9.32,;6.11,9.32,;6.51,7.83,;5.42,6.75,;3.93,7.14,;3.53,8.63,;4.62,9.72,;2.84,6.06,;3.47,4.65,;2.56,3.4,;1.03,3.56,;.4,4.97,;-1.06,5.45,;-1.06,6.99,;.4,7.46,;1.31,6.22,;-2.15,4.36,;-3.64,4.76,;-4.73,3.67,;-4.33,2.18,;-2.84,1.78,;-2.44,.29,;-3.53,-.8,;-3.13,-2.28,;-4.22,-3.37,;-5.71,-2.97,;-6.11,-1.49,;-5.02,-.4,;-6.8,-4.06,;-8.28,-3.66,;-6.4,-5.55,;-7.49,-6.64,;-7.09,-8.13,;-5.6,-8.52,;-4.51,-7.44,;-4.91,-5.95,;-5.2,-10.01,;-5.6,-11.5,;-4.11,-11.1,;-1.75,2.87,)|
BDBM102599 CC(C)(C)N1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:15.19,wD:12.12,(-4.8,-11.5,;-5.2,-10.01,;-5.6,-11.5,;-4.11,-11.1,;-5.6,-8.52,;-4.51,-7.44,;-4.91,-5.95,;-6.4,-5.55,;-7.49,-6.64,;-7.09,-8.13,;-6.8,-4.06,;-8.28,-3.66,;-5.71,-2.97,;-4.22,-3.37,;-3.13,-2.28,;-3.53,-.8,;-5.02,-.4,;-6.11,-1.49,;-2.44,.29,;-2.84,1.78,;-4.33,2.18,;-4.73,3.67,;-3.64,4.76,;-2.15,4.36,;-1.75,2.87,;-1.06,5.45,;-1.06,6.99,;.4,7.46,;1.31,6.22,;2.84,6.06,;3.47,4.65,;2.56,3.4,;1.03,3.56,;.4,4.97,;3.93,7.14,;5.42,6.75,;6.51,7.83,;6.11,9.32,;4.62,9.72,;3.53,8.63,;7.2,10.41,;8.28,11.5,;6.11,11.5,;8.28,9.32,)|
BDBM102600 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN(CC2)C2CCC2)n1 |r,wU:25.27,wD:28.34,(8.29,11.81,;7.2,10.72,;6.11,11.81,;8.29,9.63,;6.11,9.63,;6.51,8.14,;5.42,7.05,;3.93,7.45,;3.53,8.94,;4.62,10.03,;2.84,6.36,;3.47,4.96,;2.56,3.71,;1.03,3.87,;.4,5.28,;-1.06,5.75,;-1.06,7.29,;.4,7.77,;1.31,6.52,;-2.15,4.67,;-3.64,5.06,;-4.73,3.98,;-4.33,2.49,;-2.84,2.09,;-2.44,.6,;-3.53,-.49,;-3.13,-1.98,;-4.22,-3.06,;-5.71,-2.67,;-6.11,-1.18,;-5.02,-.09,;-6.8,-3.75,;-8.29,-3.36,;-6.4,-5.24,;-7.49,-6.33,;-7.09,-7.82,;-5.6,-8.22,;-4.51,-7.13,;-4.91,-5.64,;-5.2,-9.7,;-5.97,-11.04,;-4.64,-11.81,;-3.87,-10.47,;-1.75,3.18,)|
BDBM102582 CCO[C@@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,3.2,wD:10.10,(-11.52,-3.43,;-9.98,-3.43,;-9.21,-4.77,;-7.67,-4.77,;-6.76,-6.01,;-5.3,-5.54,;-5.3,-4,;-6.76,-3.52,;-3.96,-3.23,;-2.63,-4,;-3.96,-1.69,;-2.63,-.92,;-2.63,.62,;-3.96,1.39,;-5.3,.62,;-5.3,-.92,;-3.96,2.93,;-2.63,3.7,;-2.63,5.24,;-1.3,6.01,;.04,5.24,;.04,3.7,;-1.3,2.93,;1.37,2.93,;2.83,3.41,;3.74,2.16,;2.83,.92,;3.16,-.59,;2.01,-1.62,;.55,-1.14,;.23,.36,;1.37,1.39,;4.64,-.99,;5.04,-2.48,;6.53,-2.87,;7.62,-1.79,;7.22,-.3,;5.73,.1,;9.11,-2.18,;9.5,-3.67,;10.19,-1.09,;8.02,-3.27,)|
BDBM102583 CCO[C@H]1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,3.2,(-11.03,-3.43,;-9.49,-3.43,;-8.72,-4.77,;-7.18,-4.77,;-6.28,-6.01,;-4.81,-5.54,;-4.81,-4,;-6.28,-3.52,;-3.48,-3.23,;-2.14,-4,;-3.48,-1.69,;-2.14,-.92,;-2.14,.62,;-3.48,1.39,;-4.81,.62,;-4.81,-.92,;-3.48,2.93,;-2.14,3.7,;-2.14,5.24,;-.81,6.01,;.52,5.24,;.52,3.7,;-.81,2.93,;1.86,2.93,;3.32,3.41,;4.23,2.16,;3.32,.92,;3.64,-.59,;2.5,-1.62,;1.03,-1.14,;.71,.36,;1.86,1.39,;5.13,-.99,;5.53,-2.48,;7.02,-2.87,;8.1,-1.79,;7.71,-.3,;6.22,.1,;9.59,-2.18,;9.99,-3.67,;10.68,-1.09,;8.5,-3.27,)|
BDBM102584 O=C(CC#N)O[C@@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102585 O[C@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102586 O[C@@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102587 O=C(CC#N)O[C@H]1CCC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102588 CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(NC2CCCCC2)n1
BDBM102589 O=C(CC#N)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(NC2CCCCC2)n1
BDBM102590 COCCO[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(C)=O |r,wU:8.11,wD:5.4,(-8.41,-6.93,;-8.41,-5.39,;-7.08,-4.62,;-7.08,-3.08,;-5.75,-2.31,;-5.75,-.77,;-4.41,,;-4.41,1.54,;-5.75,2.31,;-7.08,1.54,;-7.08,,;-5.75,3.85,;-4.41,4.62,;-4.41,6.16,;-3.08,6.93,;-1.74,6.16,;-1.74,4.62,;-3.08,3.85,;-.41,3.85,;1.05,4.33,;1.96,3.08,;1.05,1.83,;1.37,.33,;.23,-.7,;-1.24,-.23,;-1.56,1.28,;-.41,2.31,;2.86,-.07,;3.26,-1.56,;4.75,-1.96,;5.84,-.87,;5.44,.62,;3.95,1.02,;7.32,-1.27,;8.41,-.18,;7.72,-2.75,)|
BDBM102591 COCCO[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-9.7,-6.93,;-9.7,-5.39,;-8.37,-4.62,;-8.37,-3.08,;-7.03,-2.31,;-7.03,-.77,;-5.7,,;-5.7,1.54,;-7.03,2.31,;-8.37,1.54,;-8.37,,;-7.03,3.85,;-5.7,4.62,;-5.7,6.16,;-4.37,6.93,;-3.03,6.16,;-3.03,4.62,;-4.37,3.85,;-1.7,3.85,;-.23,4.33,;.67,3.08,;-.23,1.83,;.09,.33,;-1.06,-.7,;-2.52,-.23,;-2.84,1.28,;-1.7,2.31,;1.57,-.07,;1.97,-1.56,;3.46,-1.96,;4.55,-.87,;4.15,.62,;2.66,1.02,;6.04,-1.27,;6.43,-2.75,;7.12,-.18,;8.61,-.58,;9.7,.51,)|
BDBM102592 CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1 |r,wU:24.26,wD:27.30,(8.41,-1.33,;7.32,-2.42,;7.72,-3.91,;5.84,-2.02,;4.75,-3.11,;3.26,-2.71,;2.86,-1.23,;3.95,-.14,;5.44,-.54,;1.37,-.83,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,;-.41,2.69,;1.05,3.17,;1.96,1.92,;1.05,.68,;-1.74,3.46,;-1.74,5,;-3.08,5.78,;-4.41,5,;-4.41,3.46,;-5.75,2.69,;-5.75,1.15,;-4.41,.38,;-4.41,-1.16,;-5.75,-1.93,;-5.75,-3.47,;-7.08,-4.24,;-7.08,-5.78,;-8.41,-3.47,;-8.41,-5.01,;-7.08,-1.16,;-7.08,.38,;-3.08,2.69,)|
BDBM102593 CS(=O)(=O)C[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:8.11,wD:5.4,(-8.37,-5.78,;-8.37,-4.24,;-9.7,-3.46,;-9.7,-5.01,;-7.03,-3.47,;-7.03,-1.93,;-5.7,-1.16,;-5.7,.38,;-7.03,1.15,;-8.37,.38,;-8.37,-1.16,;-7.03,2.69,;-5.7,3.46,;-5.7,5,;-4.37,5.78,;-3.03,5,;-3.03,3.46,;-4.37,2.69,;-1.7,2.69,;-.23,3.17,;.67,1.92,;-.23,.68,;.09,-.83,;-1.06,-1.86,;-2.52,-1.38,;-2.84,.12,;-1.7,1.15,;1.57,-1.23,;1.97,-2.71,;3.46,-3.11,;4.55,-2.02,;4.15,-.54,;2.66,-.14,;6.04,-2.42,;6.43,-3.91,;7.12,-1.33,;8.61,-1.73,;9.7,-.64,)|
BDBM102594 CC(=O)N1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(C)(C)O)n1 |r,wU:24.26,wD:27.33,(7.75,-2.1,;6.66,-3.19,;7.06,-4.68,;5.17,-2.79,;4.08,-3.88,;2.59,-3.48,;2.19,-2,;3.28,-.91,;4.77,-1.31,;.71,-1.6,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,;-1.08,1.92,;.39,2.4,;1.29,1.15,;.39,-.09,;-2.41,2.69,;-2.41,4.23,;-3.75,5.01,;-5.08,4.23,;-5.08,2.69,;-6.41,1.92,;-6.41,.38,;-5.08,-.39,;-5.08,-1.93,;-6.41,-2.7,;-7.75,-1.93,;-7.75,-.39,;-6.41,-4.24,;-7.75,-5.01,;-7.75,-3.47,;-5.08,-5.01,;-3.75,1.92,)|
BDBM102595 CS(=O)(=O)N(CCO)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:11.14,wD:8.7,(-8.37,-5.39,;-8.37,-3.85,;-9.7,-3.08,;-9.7,-4.62,;-7.03,-3.08,;-5.7,-3.85,;-5.7,-5.39,;-4.37,-6.16,;-7.03,-1.54,;-5.7,-.77,;-5.7,.77,;-7.03,1.54,;-8.37,.77,;-8.37,-.77,;-7.03,3.08,;-5.7,3.85,;-5.7,5.39,;-4.37,6.16,;-3.03,5.39,;-3.03,3.85,;-4.37,3.08,;-1.7,3.08,;-.23,3.56,;.67,2.31,;-.23,1.06,;.09,-.44,;-1.06,-1.47,;-2.52,-1,;-2.84,.51,;-1.7,1.54,;1.57,-.84,;1.97,-2.33,;3.46,-2.73,;4.55,-1.64,;4.15,-.15,;2.66,.25,;6.04,-2.04,;6.43,-3.52,;7.12,-.95,;8.61,-1.35,;9.7,-.26,)|
BDBM102596 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:7.10,wD:4.3,(-9.03,-5.01,;-7.7,-4.24,;-9.03,-3.47,;-6.37,-5.01,;-7.7,-2.7,;-6.37,-1.93,;-6.37,-.39,;-7.7,.38,;-9.03,-.39,;-9.03,-1.93,;-7.7,1.92,;-6.37,2.69,;-6.37,4.23,;-5.03,5.01,;-3.7,4.23,;-3.7,2.69,;-5.03,1.92,;-2.37,1.92,;-.9,2.4,;0,1.15,;-.9,-.09,;-.58,-1.6,;-1.73,-2.63,;-3.19,-2.15,;-3.51,-.65,;-2.37,.38,;.91,-2,;1.3,-3.48,;2.79,-3.88,;3.88,-2.79,;3.48,-1.31,;2,-.91,;5.37,-3.19,;5.77,-4.68,;6.46,-2.1,;7.95,-2.5,;9.03,-1.41,)|
BDBM102597 CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,(-6.29,-11.3,;-5.2,-10.21,;-5.6,-8.72,;-7.09,-8.33,;-7.49,-6.84,;-6.4,-5.75,;-4.91,-6.15,;-4.51,-7.64,;-6.8,-4.26,;-8.29,-3.86,;-5.71,-3.17,;-4.22,-3.57,;-3.13,-2.48,;-3.53,-.99,;-5.02,-.6,;-6.11,-1.69,;-2.44,.09,;-2.84,1.58,;-4.33,1.98,;-4.73,3.47,;-3.64,4.56,;-2.15,4.16,;-1.75,2.67,;-1.06,5.25,;-1.06,6.79,;.4,7.26,;1.31,6.02,;2.84,5.86,;3.47,4.45,;2.56,3.2,;1.03,3.36,;.4,4.77,;3.93,6.94,;5.42,6.55,;6.51,7.64,;6.11,9.12,;4.62,9.52,;3.53,8.43,;7.2,10.21,;8.29,11.3,;6.11,11.3,;8.29,9.12,)|
BDBM102601 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN3CCCCC3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.96,;7.2,9.87,;6.11,10.96,;8.29,8.78,;6.11,8.78,;6.51,7.29,;5.42,6.2,;3.93,6.6,;3.53,8.09,;4.62,9.18,;2.84,5.51,;3.47,4.1,;2.56,2.86,;1.03,3.02,;.4,4.43,;-1.06,4.9,;-1.06,6.44,;.4,6.92,;1.31,5.67,;-2.15,3.81,;-3.64,4.21,;-4.73,3.12,;-4.33,1.64,;-2.84,1.24,;-2.44,-.25,;-3.53,-1.34,;-3.13,-2.83,;-4.22,-3.92,;-5.71,-3.52,;-6.11,-2.03,;-5.02,-.94,;-6.8,-4.61,;-8.29,-4.21,;-6.4,-6.09,;-7.49,-7.18,;-7.09,-8.67,;-5.6,-9.07,;-5.2,-10.56,;-3.72,-10.96,;-2.63,-9.87,;-3.03,-8.38,;-4.51,-7.98,;-4.91,-6.49,;-1.75,2.33,)|
BDBM102602 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3c(C2)nnc3C(F)(F)F)n1 |r,wU:25.27,wD:28.34,(8.29,12.12,;7.2,11.03,;6.11,12.12,;8.29,9.94,;6.11,9.94,;6.51,8.46,;5.42,7.37,;3.93,7.77,;3.53,9.25,;4.62,10.34,;2.84,6.68,;3.47,5.27,;2.56,4.03,;1.03,4.19,;.4,5.59,;-1.06,6.07,;-1.06,7.61,;.4,8.08,;1.31,6.84,;-2.15,4.98,;-3.64,5.38,;-4.73,4.29,;-4.33,2.8,;-2.84,2.4,;-2.44,.92,;-3.53,-.17,;-3.13,-1.66,;-4.22,-2.75,;-5.71,-2.35,;-6.11,-.86,;-5.02,.23,;-6.8,-3.44,;-8.29,-3.04,;-6.4,-4.93,;-7.65,-5.83,;-7.48,-7.36,;-6.08,-7.99,;-4.83,-7.09,;-4.99,-5.55,;-3.59,-7.99,;-4.06,-9.46,;-5.6,-9.46,;-6.37,-10.79,;-5.6,-12.12,;-7.91,-10.79,;-7.14,-9.46,;-1.75,3.49,)|
BDBM102603 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCN3CCCC3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)|
BDBM102604 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3cnnc3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)|
BDBM102605 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3ccnc3C2)n1 |r,wU:25.27,wD:28.34,(8.29,10.79,;7.2,9.7,;6.11,10.79,;8.29,8.61,;6.11,8.61,;6.51,7.12,;5.42,6.03,;3.93,6.43,;3.53,7.92,;4.62,9.01,;2.84,5.34,;3.47,3.94,;2.56,2.69,;1.03,2.85,;.4,4.26,;-1.06,4.74,;-1.06,6.28,;.4,6.75,;1.31,5.51,;-2.15,3.65,;-3.64,4.04,;-4.73,2.96,;-4.33,1.47,;-2.84,1.07,;-2.44,-.42,;-3.53,-1.51,;-3.13,-2.99,;-4.22,-4.08,;-5.71,-3.68,;-6.11,-2.2,;-5.02,-1.11,;-6.8,-4.77,;-8.29,-4.38,;-6.4,-6.26,;-7.64,-7.17,;-7.48,-8.7,;-6.08,-9.32,;-5.6,-10.79,;-4.06,-10.79,;-3.59,-9.32,;-4.83,-8.42,;-4.99,-6.89,;-1.75,2.16,)|
BDBM102606 O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:4.7,wD:1.0,(-7.01,-3.45,;-7.01,-1.91,;-5.68,-1.14,;-5.68,.4,;-7.01,1.17,;-8.34,.4,;-8.34,-1.14,;-7.01,2.71,;-5.68,3.48,;-5.68,5.02,;-4.34,5.79,;-3.01,5.02,;-3.01,3.48,;-4.34,2.71,;-1.68,2.71,;-.21,3.18,;.69,1.94,;-.21,.69,;.11,-.82,;-1.04,-1.85,;-2.5,-1.37,;-2.82,.13,;-1.68,1.17,;1.6,-1.22,;2,-2.7,;3.48,-3.1,;4.57,-2.01,;4.17,-.53,;2.69,-.13,;6.06,-2.41,;7.15,-1.32,;6.46,-3.9,;7.95,-4.3,;8.34,-5.79,)|
BDBM102607 CCN1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:13.17,wD:10.10,(-11.01,-5.39,;-9.68,-6.16,;-8.34,-5.39,;-8.34,-3.85,;-7.01,-3.08,;-5.68,-3.85,;-5.68,-5.39,;-7.01,-6.16,;-4.34,-3.08,;-3.01,-3.85,;-4.34,-1.54,;-3.01,-.77,;-3.01,.77,;-4.34,1.54,;-5.68,.77,;-5.68,-.77,;-4.34,3.08,;-3.01,3.85,;-3.01,5.39,;-1.68,6.16,;-.34,5.39,;-.34,3.85,;-1.68,3.08,;.99,3.08,;2.46,3.56,;3.36,2.31,;2.46,1.06,;2.78,-.44,;1.63,-1.47,;.17,-1,;-.15,.51,;.99,1.54,;4.26,-.84,;4.66,-2.33,;6.15,-2.73,;7.24,-1.64,;6.84,-.15,;5.35,.25,;8.73,-2.04,;9.82,-.95,;9.13,-3.52,;10.61,-3.92,;11.01,-5.41,)|
BDBM102608 O[C@H]1CC[C@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r,wU:4.7,1.0,(-7.55,-4,;-7.55,-2.46,;-8.89,-1.69,;-8.89,-.15,;-7.55,.62,;-6.22,-.15,;-6.22,-1.69,;-7.55,2.16,;-6.22,2.93,;-6.22,4.47,;-4.89,5.24,;-3.55,4.47,;-3.55,2.93,;-4.89,2.16,;-2.22,2.16,;-.76,2.64,;.15,1.39,;-.76,.14,;-.44,-1.36,;-1.58,-2.39,;-3.04,-1.92,;-3.36,-.41,;-2.22,.62,;1.05,-1.76,;1.45,-3.25,;2.94,-3.65,;4.03,-2.56,;3.63,-1.07,;2.14,-.67,;5.51,-2.96,;6.6,-1.87,;5.91,-4.44,;7.4,-4.84,;8.89,-5.24,)|
BDBM102609 O[C@@H]1CC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102610 O[C@H]1CC[C@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102611 O[C@H]1CC[C@@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102612 O[C@@H]1CC[C@H](C1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CC#N |r|
BDBM102613 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@@H]2CC[C@H](O)CC2)n1 |r,wD:28.31,25.27,(10.57,2.8,;9.24,2.03,;8.47,3.36,;10.01,.69,;7.91,1.26,;7.91,-.28,;6.57,-1.05,;5.24,-.28,;5.24,1.26,;6.57,2.03,;3.91,-1.05,;3.91,-2.59,;2.57,-3.36,;1.24,-2.59,;1.24,-1.05,;.09,-.02,;.72,1.39,;2.25,1.22,;2.57,-.28,;-1.24,.75,;-1.24,2.29,;-2.57,3.06,;-3.91,2.29,;-3.91,.75,;-5.24,-.02,;-6.57,.75,;-7.91,-.02,;-9.24,.75,;-9.24,2.29,;-10.57,3.06,;-7.91,3.06,;-6.57,2.29,;-2.57,-.02,)|
BDBM102614 CC(=O)N1CCN(CC1)c1cccc2n(cc(C(N)=O)c12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.29,wD:30.33,(8.1,-1.52,;7.33,-.18,;8.1,1.15,;5.79,-.18,;5.02,-1.52,;3.48,-1.52,;2.71,-.18,;3.48,1.15,;5.02,1.15,;1.17,-.18,;.4,-1.52,;-1.14,-1.52,;-1.91,-.18,;-1.14,1.15,;-1.61,2.62,;-.37,3.52,;.88,2.62,;2.21,3.39,;3.54,2.62,;2.21,4.93,;.4,1.15,;-3.1,3.01,;-3.5,4.5,;-4.99,4.9,;-6.08,3.81,;-5.68,2.32,;-6.77,1.23,;-6.77,-.31,;-5.43,-1.08,;-5.43,-2.62,;-6.77,-3.39,;-6.77,-4.93,;-8.1,-2.62,;-8.1,-1.08,;-4.19,1.93,)|
BDBM102615 CC(=O)N1CCN(CC1)c1cccc2n(cc(C(N)=O)c12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1 |r,wU:27.29,wD:30.33,(8.77,-.46,;8,.87,;8.77,2.2,;6.46,.87,;5.69,-.46,;4.15,-.46,;3.38,.87,;4.15,2.2,;5.69,2.2,;1.84,.87,;1.07,-.46,;-.47,-.46,;-1.24,.87,;-.47,2.2,;-.95,3.67,;.3,4.57,;1.54,3.67,;2.88,4.44,;4.21,3.67,;2.88,5.98,;1.07,2.2,;-2.44,4.07,;-2.83,5.55,;-4.32,5.95,;-5.41,4.86,;-5.01,3.38,;-6.1,2.29,;-6.1,.75,;-4.77,-.02,;-4.77,-1.56,;-6.1,-2.33,;-6.1,-3.87,;-7.43,-4.64,;-8.77,-3.87,;-8.2,-5.98,;-6.66,-5.98,;-7.43,-1.56,;-7.43,-.02,;-3.52,2.98,)|
BDBM102616 CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ncc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(-11.67,-5.51,;-11.27,-4.02,;-9.78,-3.62,;-9.38,-2.14,;-10.47,-1.05,;-7.9,-1.74,;-6.81,-2.83,;-5.32,-2.43,;-4.92,-.94,;-6.01,.15,;-7.5,-.25,;-3.43,-.54,;-2.66,.79,;-3.43,2.13,;-2.66,3.46,;-1.12,3.46,;-.35,2.13,;-1.12,.79,;1.19,2.13,;1.81,3.53,;3.35,3.37,;3.67,1.87,;5,1.1,;5,-.44,;3.67,-1.21,;2.33,-.44,;2.33,1.1,;6.33,1.87,;7.67,1.1,;9,1.87,;9,3.41,;7.67,4.18,;6.33,3.41,;10.33,4.18,;11.67,4.95,;9.56,5.51,;11.1,2.84,)|
BDBM102617 CS(=O)(=O)C1CCN(CC1)c1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(10.53,3.6,;9.19,2.83,;8.42,4.17,;9.96,1.5,;7.86,2.06,;7.86,.52,;6.52,-.25,;5.19,.52,;5.19,2.06,;6.52,2.83,;3.86,-.25,;3.86,-1.79,;2.52,-2.56,;1.19,-1.79,;1.19,-.25,;.04,.78,;.67,2.19,;2.2,2.03,;2.52,.52,;-1.5,.78,;-2.27,2.12,;-3.81,2.12,;-4.58,.78,;-3.81,-.55,;-4.58,-1.88,;-6.06,-2.28,;-6.46,-3.77,;-7.95,-4.17,;-9.04,-3.08,;-10.53,-3.48,;-8.64,-1.59,;-7.15,-1.19,;-2.27,-.55,)|
BDBM104968 CS(=O)(=O)CCCOc1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(6.01,5.4,;4.92,4.31,;3.43,4.71,;6.4,3.91,;5.32,2.82,;4.23,1.74,;4.63,.25,;3.54,-.84,;2.05,-.44,;.9,-1.47,;-.56,-1,;-.88,.51,;.26,1.54,;.26,3.08,;1.73,3.56,;2.63,2.31,;1.73,1.06,;-1.07,3.85,;-1.07,5.39,;-2.4,6.16,;-3.74,5.39,;-3.74,3.85,;-5.07,3.08,;-5.07,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-6.4,-.77,;-6.4,.77,;-5.07,-3.08,;-6.4,-3.85,;-3.74,-3.85,;-3.72,-5.39,;-2.39,-6.16,;-1.05,-5.39,;.28,-6.16,;-1.05,-3.85,;-2.39,-3.08,;-2.4,3.08,)|
BDBM104969 OC1CCN(CC1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:12.16,wD:9.9,(-1.06,-6.16,;-2.39,-5.39,;-3.73,-6.16,;-5.06,-5.39,;-5.08,-3.85,;-3.73,-3.08,;-2.39,-3.85,;-6.41,-3.08,;-7.75,-3.85,;-6.41,-1.54,;-5.08,-.77,;-5.08,.77,;-6.41,1.54,;-7.75,.77,;-7.75,-.77,;-6.41,3.08,;-5.08,3.85,;-5.08,5.39,;-3.75,6.16,;-2.41,5.39,;-2.41,3.85,;-3.75,3.08,;-1.08,3.08,;.39,3.56,;1.29,2.31,;.39,1.06,;.71,-.44,;2.19,-.84,;3.28,.25,;4.77,-.15,;5.17,-1.64,;6.66,-2.04,;7.75,-.95,;7.35,.54,;5.86,.94,;-.44,-1.47,;-1.9,-1,;-2.22,.51,;-1.08,1.54,)|
BDBM104970 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:8.11,wD:5.4,(-7.08,-5.78,;-7.08,-4.23,;-8.41,-3.47,;-5.75,-5,;-5.75,-3.47,;-5.75,-1.93,;-4.41,-1.15,;-4.41,.38,;-5.75,1.15,;-7.08,.38,;-7.08,-1.15,;-5.75,2.69,;-4.41,3.47,;-4.41,5,;-3.08,5.78,;-1.74,5,;-1.74,3.47,;-3.08,2.69,;-.41,2.69,;1.05,3.17,;1.96,1.93,;1.05,.68,;1.37,-.83,;2.86,-1.23,;3.95,-.14,;5.44,-.54,;5.84,-2.02,;7.32,-2.42,;8.41,-1.33,;8.01,.15,;6.53,.55,;.23,-1.86,;-1.24,-1.38,;-1.56,.12,;-.41,1.15,)|
BDBM104971 CCOC(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:8.11,wD:5.4,(-2.41,-5,;-3.75,-4.23,;-5.08,-5,;-6.41,-4.23,;-7.75,-5,;-6.41,-2.69,;-5.08,-1.93,;-5.08,-.38,;-6.41,.38,;-7.75,-.38,;-7.75,-1.93,;-6.41,1.93,;-5.08,2.69,;-5.08,4.23,;-3.75,5,;-2.41,4.23,;-2.41,2.69,;-3.75,1.93,;-1.08,1.93,;.39,2.4,;1.29,1.15,;.39,-.09,;.71,-1.6,;2.19,-2,;3.28,-.91,;4.77,-1.31,;5.17,-2.79,;6.66,-3.19,;7.75,-2.1,;7.35,-.62,;5.86,-.22,;-.44,-2.63,;-1.9,-2.15,;-2.22,-.65,;-1.08,.38,)|
BDBM104972 O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(OCc3ccccc3)cccn12 |r,wU:4.7,wD:1.0,(-6.41,-4.62,;-6.41,-3.08,;-5.08,-2.31,;-5.08,-.77,;-6.41,,;-7.75,-.77,;-7.75,-2.31,;-6.41,1.54,;-5.08,2.31,;-5.08,3.85,;-3.75,4.62,;-2.41,3.85,;-2.41,2.31,;-3.75,1.54,;-1.08,1.54,;.39,2.02,;1.29,.77,;.39,-.48,;.71,-1.98,;2.19,-2.38,;3.28,-1.29,;4.77,-1.69,;5.17,-3.18,;6.66,-3.58,;7.75,-2.49,;7.35,-1,;5.86,-.6,;-.44,-3.01,;-1.9,-2.54,;-2.22,-1.03,;-1.08,,)|
BDBM104973 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12 |r,wU:8.11,wD:5.4,(-3.85,-5.78,;-3.85,-4.23,;-2.52,-5,;-5.19,-3.47,;-2.52,-3.47,;-2.52,-1.93,;-1.18,-1.15,;-1.18,.38,;-2.52,1.15,;-3.85,.38,;-3.85,-1.15,;-2.52,2.69,;-1.18,3.47,;-1.18,5,;.15,5.78,;1.48,5,;1.48,3.47,;.15,2.69,;2.82,2.69,;4.28,3.17,;5.19,1.93,;4.28,.68,;4.6,-.83,;3.46,-1.86,;1.99,-1.38,;1.67,.12,;2.82,1.15,)|
BDBM104974 O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2ccccn12 |r,wU:4.7,wD:1.0,(-3.19,-4.62,;-3.19,-3.08,;-1.85,-2.31,;-1.85,-.77,;-3.19,,;-4.52,-.77,;-4.52,-2.31,;-3.19,1.54,;-1.85,2.31,;-1.85,3.85,;-.52,4.62,;.82,3.85,;.82,2.31,;-.52,1.54,;2.15,1.54,;3.61,2.02,;4.52,.77,;3.61,-.48,;3.93,-1.98,;2.79,-3.01,;1.32,-2.54,;1,-1.03,;2.15,,)|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50008705 O=C(NCc1ccccc1)c1cccnc1Oc1ccccc1
BDBM50059889 CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50071873 CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50089126 CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
BDBM50091935 CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(n1)-c1cccc(N)c1
BDBM50105742 COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50115295 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC
BDBM50115297 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OC
BDBM50115298 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC
BDBM50118826 COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc4OCOc4c3)c2cc1OC
BDBM50118831 COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1OC
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50136008 CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
BDBM50151347 Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
BDBM50148690 OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
BDBM50148692 CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
BDBM50148694 CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50169959 N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
BDBM50172918 Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
BDBM50172919 NC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50172920 Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
BDBM50172921 Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1
BDBM50172922 OC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50172923 CN(C)CCNC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50172925 N(c1ccccc1)c1ccc2c(n[nH]c2c1)-c1ccccc1
BDBM50172927 OC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50173609 CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
BDBM50178825 CC(=O)N1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
BDBM50178827 Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1
BDBM50178828 O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1cccnc1
BDBM50178829 COCCC(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
BDBM50178830 Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1
BDBM50178832 O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1
BDBM50178836 O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOCC1
BDBM50178837 O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1ccco1
BDBM50178838 CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
BDBM50178839 CO[C@H]1CC[C@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,2.1,(17.63,-11.64,;17.64,-10.1,;16.3,-9.32,;14.97,-10.09,;13.64,-9.32,;13.64,-7.78,;14.97,-7,;16.31,-7.78,;12.31,-7.01,;12.31,-5.47,;10.98,-7.78,;9.64,-7.01,;9.64,-5.47,;8.31,-4.7,;6.98,-5.46,;6.97,-7.01,;8.31,-7.78,;8.32,-3.16,;9.65,-2.4,;9.66,-.87,;8.33,-.08,;6.99,-.85,;5.66,-.08,;4.32,-.84,;4.33,-2.38,;2.99,-3.15,;1.66,-2.38,;.32,-3.14,;1.67,-.83,;3,-.07,;6.99,-2.39,)|
BDBM50178841 COC1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1 |(21.55,-31.69,;21.56,-30.15,;20.22,-29.37,;18.89,-30.14,;17.56,-29.37,;17.56,-27.83,;18.89,-27.06,;20.23,-27.83,;16.23,-27.06,;16.23,-25.52,;14.9,-27.83,;13.56,-27.06,;13.56,-25.52,;12.23,-24.75,;10.9,-25.51,;10.89,-27.06,;12.23,-27.83,;12.24,-23.21,;13.57,-22.45,;13.58,-20.92,;12.25,-20.13,;10.91,-20.9,;9.58,-20.13,;8.24,-20.9,;8.25,-22.43,;6.91,-23.2,;5.58,-22.43,;5.59,-20.88,;6.92,-20.12,;10.91,-22.44,)|
BDBM50178842 CC(=O)N1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
BDBM50178843 CC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
BDBM50178844 Cc1cnc(cn1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
BDBM50178846 CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
BDBM50178847 CO[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 |wU:5.8,wD:2.1,(7.68,-6.41,;7.68,-4.87,;6.35,-4.1,;6.35,-2.56,;5.02,-1.78,;3.69,-2.55,;3.68,-4.09,;5.01,-4.86,;2.35,-1.78,;2.35,-.24,;1.02,-2.55,;-.31,-1.79,;-.32,-.24,;-1.65,.53,;-2.98,-.23,;-2.99,-1.78,;-1.65,-2.56,;-1.64,2.06,;-.3,2.82,;-.29,4.36,;-1.63,5.14,;-2.97,4.38,;-4.3,5.15,;-5.63,4.38,;-5.63,2.84,;-6.96,2.08,;-8.3,2.85,;-9.63,2.09,;-8.29,4.4,;-6.95,5.16,;-2.97,2.84,)|
BDBM50181532 COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50194668 Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50194671 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F
BDBM50194856 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CC3)n2)cc1
BDBM50194857 CCOc1nc(cc(N)c1C#CCO)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194858 CCOc1nc(cc(N)c1\C=C\C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194859 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCNC(N)=O)n2)cc1
BDBM50194860 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(O)c2)cc1
BDBM50194861 CCOc1nc(cc(N)c1C#CCCO)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194862 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1
BDBM50194863 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(Cl)c2)cc1
BDBM50194864 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cncnc2)cc1
BDBM50194865 CC(C)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194866 CCOc1nc(cc(N)c1C#Cc1ccsc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194867 CC(C)[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194868 C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r|
BDBM50194869 CC(=O)NCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194870 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCC3)n2)cc1
BDBM50194871 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccc(s2)C(O)=O)cc1
BDBM50194872 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCC(N)=O)n2)cc1
BDBM50194873 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCCO)n2)cc1
BDBM50194874 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCO)n2)cc1
BDBM50194875 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CC3)n2)cc1
BDBM50194876 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(CCC(O)=O)n2)cc1
BDBM50194877 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCc3ccccc3)n2)cc1
BDBM50194878 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\C(O)=O)n2)cc1
BDBM50194879 C[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194880 CCOc1nc(cc(N)c1C(N)=O)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194881 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCc3ccccc3)n2)cc1
BDBM50194882 CC(C)NC(=O)c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194883 CCCCC#Cc1c(N)cc(nc1OCC)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194884 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccnc2)cc1
BDBM50194885 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CCCC3)n2)cc1
BDBM50194886 C\C=C\c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194887 CCCNC(=O)c1c(N)cc(nc1OCC)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194888 CCOc1nc(cc(N)c1\C=C\C(C)(C)C)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194889 CCOc1nc(cc(N)c1C#C\C=C\CO)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194890 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(c2)S(C)(=O)=O)cc1
BDBM50194891 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC(CO)CO)n2)cc1
BDBM50194892 CN(C)CCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194893 COc1ccc(Oc2nc(cc(N)c2C#N)C(=O)NCc2ccc(cc2)S(C)(=O)=O)cc1
BDBM50194894 CCOc1nc(cc(N)c1\C=C\c1ccccc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194895 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCN)n2)cc1
BDBM50194896 CC(C)COc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194897 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccoc2)cc1
BDBM50194898 CCOc1nc(cc(N)c1\C=C\C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194899 CCOc1nc(cc(N)c1C=C)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194900 C\C=C/c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194901 CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194902 CCOc1nc(cc(N)c1C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194903 COCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194904 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCCC3)n2)cc1
BDBM50194905 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\CCO)n2)cc1
BDBM50194906 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2CO)cc1
BDBM50194907 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2CNCc2ccccc2)cc1
BDBM50194908 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2)cc1
BDBM50194909 COc1cccc(c1)-c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50194910 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccncc2)cc1
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50196992 COc1cc[nH]c1\C=C1/C(=O)Nc2cccc(C#CC(O)c3ccc(OCCCN(C)C)cc3)c12 |w:19.20|
BDBM50196993 CCOc1nc(cc(N)c1C#N)C(=O)NCc1cnccc1Cl
BDBM50196994 CCOc1nc(cc(N)c1C#N)C(=O)NCCNc1ccc(cn1)[N+]([O-])=O
BDBM50196995 CC(C)Oc1nc(cc(N)c1C#N)C(=O)N(C)Cc1ccc(cc1)S(C)(=O)=O
BDBM50196996 CC(C)Oc1nc(cc(O)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50196997 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(=O)c1ccccc1
BDBM50196998 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50204832 Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1
BDBM50211428 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1
BDBM50211429 CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211430 CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211431 CCNC(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1c[nH]c2cc(F)ccc12
BDBM50211432 CN(C)CC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211433 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)C(C)C
BDBM50211434 CCOC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211435 CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-n1ccc2ccccc12
BDBM50211436 CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211437 CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
BDBM50211438 CN(C)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211439 CCNC(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211440 CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1cnc2ccccn12
BDBM50211441 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c[nH]c2ccccc12
BDBM50211442 CC1CCN(CC1)NC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211443 CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211444 CC(=O)NCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211445 CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
BDBM50211446 CNCC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211447 CNC(=O)CN1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211303 COc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
BDBM50211306 CN(C)CCNC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
BDBM50211423 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
BDBM50211424 CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211425 CCNC(=O)N1CC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211426 CNC(=O)CN1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
BDBM50211427 CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
BDBM50229961 CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
BDBM50240093 C1CC(CCN1)Nc1nccc(n1)-c1cnc2ccccn12
BDBM50240612 O=C1c2ccccc2-n2c1nc1ccccc1c2=O
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50252778 Cc1ccc(cc1-c1ccc2c(nncc2c1)N1CCOCC1)C(=O)NC1CC1
BDBM50252779 C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r|
BDBM50252780 O=C(NC1CC1)c1cccc(c1)-c1ccc2c(nncc2c1)N1CCOCC1
BDBM50252781 CC(C)Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50252739 Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1
BDBM50252740 Cc1ccc(cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1)C(=O)NC1CC1
BDBM50252782 C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
BDBM50256750 Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50260228 CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
BDBM50260229 CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)|
BDBM50253152 C[C@@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|
BDBM50253153 Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1)C(=O)NC1CC1
BDBM50253154 Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1
BDBM50246461 COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
BDBM50241256 O=C(Nc1sc2CCCCc2c1C#N)c1ccccc1
BDBM50277872 CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCCO1
BDBM50277873 CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
BDBM50277946 OC1CCCC(C1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
BDBM50277947 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:8.11,wD:5.4,(22.41,-2.51,;22.42,-.98,;20.88,-.96,;23.96,-1,;22.44,.56,;23.79,1.31,;25.11,.52,;26.46,1.27,;26.48,2.81,;25.16,3.6,;23.82,2.85,;27.94,3.29,;28.41,4.76,;29.95,4.76,;30.43,3.3,;29.2,2.4,;29.2,.86,;27.87,.09,;27.87,-1.46,;29.21,-2.23,;30.54,-1.46,;31.88,-2.23,;31.88,-3.77,;30.64,-4.66,;31.11,-6.13,;32.66,-6.12,;33.13,-4.66,;30.54,.09,)|
BDBM50277948 CC(=O)N[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:7.10,wD:4.3,(-8.79,-14.61,;-7.44,-13.86,;-7.42,-12.32,;-6.12,-14.65,;-4.78,-13.9,;-3.45,-14.69,;-2.1,-13.94,;-2.09,-12.4,;-3.41,-11.62,;-4.75,-12.36,;-.63,-11.92,;-.15,-10.45,;1.39,-10.45,;1.87,-11.91,;.63,-12.82,;.63,-14.36,;-.69,-15.13,;-.7,-16.67,;.64,-17.44,;1.97,-16.67,;3.31,-17.44,;3.31,-18.98,;2.07,-19.88,;2.55,-21.34,;4.09,-21.34,;4.56,-19.87,;1.97,-15.12,)|
BDBM50277905 CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCOCC1
BDBM50277906 CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCCNC1
BDBM50277907 CC(C)Nc1nccc(n1)-c1cn[nH]c1C1CCN(CC1)S(C)(=O)=O
BDBM50277908 CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(C)nc1
BDBM50277909 C1CCC(C1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1
BDBM50277910 O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)|
BDBM50310143 COc1ccc(CNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1
BDBM50310144 [O-][N+](=O)c1cnc(Sc2nnc(NCC3CCCO3)s2)s1
BDBM50293532 NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
BDBM50271602 C1CC(CCN1)Nc1cccc(n1)-c1n[nH]c2ccccc12
BDBM50270670 OC(=O)CCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
BDBM50270671 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
BDBM50270672 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NCC(=O)NCC(=O)NCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12 |r|
BDBM50270641 CC1(C)CC(CC(C)(C)N1O)NC(=O)CCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
BDBM50277835 Cc1ccnc(=S)[nH]1
BDBM50277836 CC(C)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
BDBM50277837 Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CC2)n1
BDBM50277838 Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCCC2)n1
BDBM50277868 C[C@H](CC(O)=O)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1 |r|
BDBM50277869 Clc1ccc(cc1)-c1n[nH]cc1-c1ccnc(NC2CCCC2)n1
BDBM50277870 CN1CCC(CC1)Nc1nccc(n1)-c1c[nH]nc1-c1ccc(Cl)cc1
BDBM50277871 CC(C)Nc1nccc(n1)-c1cn[nH]c1
BDBM50296636 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50303636 NC(=O)c1ccc(Nc2nccc(n2)-c2ccccc2)cc1
BDBM50303637 C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
BDBM50303638 CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
BDBM50303639 CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-n2ccnn2)n1
BDBM50303640 Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
BDBM50303641 Cc1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
BDBM50303642 Cn1nnc(n1)-c1ccc(Nc2nccc(n2)-c2cc(cc(c2)N2CCOCC2)C#N)cc1
BDBM50303643 C1CN(CCO1)c1cccc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1
BDBM50303644 N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2ccccn2)n1)N1CCOCC1
BDBM50303645 CN1CCN(CC1)c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cc(F)cc(c2)N2CCOCC2)cc1
BDBM50303646 Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
BDBM50299081 Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
BDBM50299083 CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
BDBM50297455 Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
BDBM50298225 CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
BDBM50310343 Nc1nn(cc1-c1ccc2C(=O)NCCc2c1)-c1cccc(c1)-c1ccc2cc[nH]c2c1
BDBM50310142 CCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50310145 CCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50310146 COc1ccc(CCNc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)cc1OC
BDBM50310147 CCC(C)Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50310148 COCCNc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
BDBM50312057 CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50314147 CN(C)c1c(cnn1Cc1ccccc1)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.26,wD:21.22,(-.4,-38.39,;-1.54,-37.36,;-1.22,-35.86,;-3.01,-37.84,;-4.26,-36.93,;-5.5,-37.84,;-5.03,-39.31,;-3.49,-39.3,;-2.7,-40.63,;-3.46,-41.97,;-5,-41.98,;-5.75,-43.32,;-4.97,-44.65,;-3.42,-44.62,;-2.67,-43.29,;-4.26,-35.39,;-5.59,-34.62,;-5.59,-33.07,;-4.26,-32.3,;-2.92,-33.06,;-1.6,-32.29,;-.26,-33.06,;-.26,-34.6,;1.07,-35.36,;2.4,-34.59,;3.74,-35.36,;2.4,-33.05,;1.07,-32.28,;-2.92,-34.62,)|
BDBM50314148 O[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cn[nH]c1C1CCCOC1 |r,wU:1.0,wD:4.7,(27.93,-38.08,;26.61,-37.31,;25.27,-38.08,;23.94,-37.31,;23.94,-35.78,;25.26,-34.99,;26.6,-35.77,;22.6,-35.02,;21.27,-35.79,;19.93,-35.03,;18.61,-35.8,;18.61,-37.34,;19.94,-38.11,;21.28,-37.34,;19.94,-39.66,;21.19,-40.56,;20.71,-42.02,;19.17,-42.02,;18.7,-40.56,;17.37,-39.78,;16.04,-40.55,;14.72,-39.77,;14.72,-38.23,;16.07,-37.47,;17.38,-38.24,)|
BDBM50314149 CN(C)CCCC(=O)Nc1cc(cc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12)C(O)=O
BDBM50314150 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50314070 Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50339006 Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
BDBM50338873 COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
BDBM50332040 COC(=O)c1sccc1NC(=O)Cc1cccs1
BDBM50332041 COC(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50332042 COC(=O)c1sccc1NC(=O)Cc1ccncc1
BDBM50332043 COC(=O)c1sccc1NC(=O)Cc1ccc(OC)cc1
BDBM50332044 COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)-c1ccncc1
BDBM50332045 COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)-n1ccnc1
BDBM50332046 COC(=O)c1sccc1NC(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50332047 COC(=O)c1sccc1NC(=O)Cc1ccc2ccccc2c1
BDBM50332048 COC(=O)c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM50332049 COC(=O)c1sccc1NC(=O)Cc1ccccc1-c1c[nH]nn1
BDBM50332050 COC(=O)c1sccc1NC(=O)Cc1cccc2cnccc12
BDBM50332051 COC(=O)c1sccc1NC(=O)Cc1cccc2ncccc12
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332052 CC(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50332053 CCOC(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50332054 CC(C)OC(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50332056 COCCNC(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50332057 COC(=O)c1nnsc1NC(=O)Cc1cccc2ccccc12
BDBM50332058 COC(=O)c1nonc1NC(=O)Cc1cccc2ccccc12
BDBM50332059 CCOC(=O)c1c(C)nsc1NC(=O)Cc1cccc2ccccc12
BDBM50332060 COC(=O)c1scnc1NC(=O)Cc1cccc2ccccc12
BDBM50332061 COC(=O)c1cccnc1NC(=O)Cc1cccc2ccccc12
BDBM50332062 Cc1ccncc1NC(=O)Cc1cccc2ccccc12
BDBM50332063 COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
BDBM50332064 COC(=O)c1cscc1NC(=O)Cc1cccc2ccccc12
BDBM50332065 COC(=O)c1[nH]ncc1NC(=O)Cc1cccc2ccccc12
BDBM50332066 COC(=O)c1cnccc1NC(=O)Cc1cccc2ccccc12
BDBM50332067 O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnco1
BDBM50332068 O=C(Cc1cccc2ccccc12)Nc1ccsc1-n1ccnc1
BDBM50332069 O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1cc[nH]n1
BDBM50332070 O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1nnc[nH]1
BDBM50332071 Cc1nnc(o1)-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM50332072 Cn1ccc(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM50332073 Cc1nnc([nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM50332074 Cc1nc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n(C)n1
BDBM50332075 Cc1cc(n[nH]1)-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM50332076 COc1ccc(CC(=O)Nc2ccsc2-n2cncn2)cc1
BDBM50332077 COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1
BDBM50332078 COc1ccc(CC(=O)Nc2ccsc2N2CCOC2=O)cc1
BDBM50332079 COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
BDBM50332080 COc1ccc(CC(=O)Nc2ccsc2-c2nnc(N)[nH]2)cc1
BDBM50332081 COc1ccc(CC(=O)Nc2ccsc2-c2cn(C)cn2)cc1
BDBM50332082 COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1
BDBM50332083 COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]c(C)n2)cc1
BDBM50332084 COc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1
BDBM50332085 O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1nnc[nH]1
BDBM50332086 O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
BDBM50332087 COC(=O)c1ncsc1NC(=O)Cc1cccc2cnccc12
BDBM50332088 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1nnc[nH]1
BDBM50332089 Cn1ncnc1-c1ncsc1NC(=O)Cc1cccc2cnccc12
BDBM50332090 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
BDBM50332091 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cscn1
BDBM50338262 Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1
BDBM50338263 Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nnc[nH]1
BDBM50338264 O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50338265 Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
BDBM50338266 Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
BDBM50338267 O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50338268 COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1
BDBM50338269 CCc1csc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)OC
BDBM50338270 CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C1CC1
BDBM50338271 CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C(F)(F)F
BDBM50338272 CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#N
BDBM50338273 CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)scc1C#C
BDBM50338274 COC(=O)c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
BDBM50338275 COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1
BDBM50338276 COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
BDBM50338277 COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCC2)cc1
BDBM50338278 COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cc[nH]c12
BDBM50338279 COC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12
BDBM50338280 COC(=O)c1c(C)csc1NC(=O)Cc1cccc2ncccc12
BDBM50338281 COC(=O)c1c(C)csc1NC(=O)Cc1cccc2cnccc12
BDBM50338282 COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
BDBM50338283 COc1ccc(CC(=O)Nc2scc(C)c2-c2nnc(C)[nH]2)cc1
BDBM50338284 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
BDBM50338285 Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1nnc(C)[nH]1
BDBM50338286 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
BDBM50338287 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
BDBM50338288 Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1nnc[nH]1
BDBM50338289 Cc1nnc([nH]1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
BDBM50338290 Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
BDBM50338291 Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
BDBM50338292 Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1
BDBM50338293 O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50342335 NC(=O)c1ccsc1NC(=O)Cc1c(F)cccc1F
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50342338 NC(=O)c1ccsc1NC(=O)Cc1cccnc1
BDBM50342339 NC(=O)c1ccsc1NC(=O)Cc1cc(F)cc(F)c1
BDBM50342377 NC(=O)c1ccsc1NC(=O)CN1CCOCC1
BDBM50342340 NC(=O)c1ccsc1NC(=O)Cc1ccccc1F
BDBM50342341 NC(=O)c1ccsc1NC(=O)Cc1cccc(F)c1
BDBM50342342 NC(=O)c1ccsc1NC(=O)Cc1c[nH]c2ccccc12
BDBM50342349 Cc1sc(NC(=O)Cc2cccc3ccccc23)c(C(N)=O)c1C
BDBM50341372 CC(C)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
BDBM50342343 NC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1F
BDBM50342344 NC(=O)c1ccsc1NC(=O)Cc1ccc(F)c(F)c1
BDBM50342345 COc1ccccc1CC(=O)Nc1sccc1C(N)=O
BDBM50342301 NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
BDBM50342302 NC(=O)c1ccsc1NC(=O)Cc1ccccc1Cl
BDBM50342303 NC(=O)c1ccsc1NC(=O)Cc1ccc2OCOc2c1
BDBM50342306 CCOc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1
BDBM50342307 NC(=O)c1ccsc1NC(=O)Cc1cc(Cl)c2OCCCOc2c1
BDBM50342308 COc1ccc(C)cc1CC(=O)Nc1sccc1C(N)=O
BDBM50342309 NC(=O)c1ccsc1NC(=O)Cc1ccc2CCCc2c1
BDBM50342310 NC(=O)c1ccsc1NC(=O)Cc1csc2nc(cn12)-c1cccs1
BDBM50342311 Cc1cnc2sc(CC(=O)Nc3sccc3C(N)=O)cn12
BDBM50342346 NC(=O)c1ccsc1NC(=O)Cc1c(F)cccc1Cl
BDBM50342347 NC(=O)c1ccsc1NC(=O)Cc1ccc(Cl)cc1
BDBM50342348 NC(=O)c1ccsc1NC(=O)Cc1cccc(c1)C#N
BDBM50342351 NC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
BDBM50342352 NC(=O)c1ccsc1NC(=O)CN1CCN(CC1)C(=O)C1CC1
BDBM50342353 NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
BDBM50342354 OC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12
BDBM50342355 COC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12
BDBM50342356 O=C(Cc1cccc2ccccc12)Nc1sccc1C#N
BDBM50342357 NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)s1
BDBM50342304 NC(=O)c1ccsc1NC(=O)Cc1cccc(Br)c1
BDBM50342305 NC(=O)c1ccsc1NC(=O)Cc1cccc(I)c1
BDBM50342315 NC(=O)c1ccsc1NC(=O)Cc1ccc2OCCOc2c1
BDBM50342350 CC1CN(CC(=O)Nc2sccc2C(N)=O)CC(C)O1
BDBM50342312 NC(=O)c1ccsc1NC(=O)Cc1cccc(Cl)c1
BDBM50342313 COc1cccc(CC(=O)Nc2sccc2C(N)=O)c1
BDBM50342314 Cc1cc(C)cc(CC(=O)Nc2sccc2C(N)=O)c1
BDBM50342316 NC(=O)c1ccsc1NC(=O)Cc1ccccc1Br
BDBM50342317 NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)[N+]([O-])=O
BDBM50342318 COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1
BDBM50342358 NC(=O)c1ccsc1NC(=O)CCc1ccccc1
BDBM50342359 NC(=O)c1ccsc1NC(=O)\C=C\c1ccccc1
BDBM50342360 Cc1csc(NC(=O)Cc2cccc3ccccc23)c1C(N)=O
BDBM50342361 Cc1cc(C(N)=O)c(NC(=O)Cc2cccc3ccccc23)s1
BDBM50342362 COc1ccc2c(CC(=O)Nc3sccc3C(N)=O)c(Br)ccc2c1
BDBM50342363 COc1ccc2cc(Br)ccc2c1CC(=O)Nc1sccc1C(N)=O
BDBM50342364 NC(=O)c1ccsc1NC(=O)Cc1ccc2ccccc2c1
BDBM50342365 NC(=O)c1ccsc1NC(=O)Cc1nc(cs1)-c1cccs1
BDBM50342366 CC(C)Cc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1
BDBM50342367 NC(=O)c1ccsc1NC(=O)Cc1csc(n1)-c1ccccc1
BDBM50342368 NC(=O)c1ccsc1NC(=O)Cc1coc2ccccc12
BDBM50342369 NC(=O)c1ccsc1NC(=O)Cc1nc2ccccc2[nH]1
BDBM50342319 NC(=O)c1ccsc1NC(=O)Cc1cccs1
BDBM50342320 NC(=O)c1ccsc1NC(=O)Cc1ccccc1I
BDBM50342321 NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)C#N
BDBM50342322 NC(=O)c1ccsc1NC(=O)Cc1ccccc1
BDBM50342323 NC(=O)c1ccsc1NC(=O)Cc1ccc2CCCCc2c1
BDBM50342324 Cc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1
BDBM50342325 NC(=O)c1ccsc1NC(=O)Cc1cc(F)cc2COCOc12
BDBM50342326 NC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1
BDBM50342327 NC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12
BDBM50342328 Cc1cccc(CC(=O)Nc2sccc2C(N)=O)c1
BDBM50342329 COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1
BDBM50342330 NC(=O)c1ccsc1NC(=O)Cc1ccc(OC(F)(F)F)cc1
BDBM50342331 NC(=O)c1ccsc1NC(=O)Cc1cc(F)ccc1F
BDBM50342370 NC(=O)c1ccsc1NC(=O)Cc1ccc(Br)cc1
BDBM50342371 NC(=O)c1ccsc1NC(=O)Cc1cccc(c1)[N+]([O-])=O
BDBM50342372 CC(C)c1ccc(CC(=O)Nc2sccc2C(N)=O)cc1
BDBM50342373 COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1OC
BDBM50342374 NC(=O)c1ccsc1NC(=O)Cc1ccc2ccc3cccc4ccc1c2c34
BDBM50342375 NC(=O)c1ccsc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F
BDBM50342376 NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)-c1ccccc1
BDBM50341342 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50341346 C[C@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1 |r|
BDBM50342332 NC(=O)c1ccsc1NC(=O)c1ccccc1
BDBM50342333 Cc1ccccc1CC(=O)Nc1sccc1C(N)=O
BDBM50342334 NC(=O)c1ccsc1NC(=O)Cc1ccc(cc1)C(F)(F)F
BDBM50342336 NC(=O)c1ccsc1NC(=O)Cc1cccc(c1)C(F)(F)F
BDBM50342337 NC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccco2)CC1
BDBM50334268 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50333980 O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333981 O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
BDBM50333982 O=c1[nH]nc(-c2ccnc(Nc3ccccn3)c2)n1-c1ccc2ccccc2c1
BDBM50333983 Clc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50333984 O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)C1CC1
BDBM50333985 O=c1[nH]nc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333986 O=c1[nH]nc(-c2ccnc(NC3CC3)c2)n1-c1ccc2ccccc2c1
BDBM50333987 O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1
BDBM50333988 O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCNCC1
BDBM50333989 FC(F)(F)CN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
BDBM50333990 Fc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50333991 O=c1[nH]nc(-c2ccnc(Nc3nccs3)c2)n1-c1ccc2ccccc2c1
BDBM50333992 O=c1[nH]nc(-c2ccnc(NC3CCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333993 O=c1[nH]nc(-c2ccnc(Nc3cccnc3)c2)n1-c1ccc2ccccc2c1
BDBM50333994 O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
BDBM50333995 CCN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
BDBM50333996 O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
BDBM50333997 COC(=O)N1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O
BDBM50333998 Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50333999 CC(=O)Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1
BDBM50334000 O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334001 O=c1n(nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1)C1CCOCC1
BDBM50334002 Brc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50334003 O=c1[nH]nc(-c2ccnc(Nc3ccccc3)c2)n1-c1ccc2ccccc2c1
BDBM50334004 Nc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50334005 O=C(Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1
BDBM50334006 Nc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1
BDBM50334007 O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334008 O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50334009 O=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50332055 NC(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50334010 C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
BDBM50343673 NS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50343674 O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1
BDBM50340599 Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1
BDBM50340600 C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3ccc(cc3n2)-c2cn[nH]c2)cc1
BDBM50340607 Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1
BDBM50340608 Cc1ccc(cn1)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12
BDBM50340609 Cn1cc(cn1)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12
BDBM50340610 COc1ccc(cc1F)-c1cccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12
BDBM50340611 C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4nccs4)c3n2)cc1
BDBM50340612 C1CN(CCO1)c1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4ccccc4)c3n2)cc1
BDBM50340614 Cc1ncn(n1)-c1ccc(Nc2ncc3cccc(-c4nccs4)c3n2)cc1
BDBM50352601 Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12
BDBM50352602 Fc1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
BDBM50352603 Fc1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2cccnc2c1
BDBM50352604 FC(F)(F)c1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
BDBM50352605 FC(F)(F)c1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2cccnc2c1
BDBM50352606 FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2nnc[nH]2)c2cccnc12
BDBM50352607 Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nnc[nH]1
BDBM50352608 O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nnc[nH]1
BDBM50352609 Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1nnc[nH]1
BDBM50352610 FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2cn1
BDBM50352611 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2n1
BDBM50352612 Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1nnc[nH]1
BDBM50352613 FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccn2n1
BDBM50352614 Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2cc1F
BDBM50352615 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
BDBM50352616 FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
BDBM50352617 FC(F)(F)c1cccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc12
BDBM50352618 FC(F)(F)Oc1ccc2n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c(=O)ccc2c1
BDBM50352619 FC(F)(F)Oc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3nnc[nH]3)c2c1
BDBM50352620 Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1
BDBM50352621 Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1
BDBM50352622 Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncco1
BDBM50352623 Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1
BDBM50352624 Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12
BDBM50352625 O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nccs1
BDBM50352626 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3ncco3)c(=O)ccc2c1
BDBM50352627 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3nccs3)c(=O)ccc2c1
BDBM50352628 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cscn3)c(=O)ccc2c1
BDBM50352629 CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)CCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O |r,wU:73.77,118.121,48.50,138.141,160.163,4.4,96.99,63.65,178.181,64.68,wD:40.42,107.110,129.132,77.80,56.58,149.152,57.61,169.172,(-33.39,-2.84,;-32.09,-2.03,;-30.72,-2.76,;-32.13,-.49,;-30.83,.31,;-30.84,1.85,;-32.2,2.57,;-33.52,1.77,;-32.25,4.11,;-33.62,4.83,;-33.65,6.37,;-32.34,7.18,;-35.01,7.09,;-35.02,8.63,;-33.67,9.37,;-32.35,8.59,;-33.67,10.92,;-32.31,11.68,;-32.32,13.21,;-30.98,13.98,;-30.95,15.52,;-32.28,16.28,;-29.61,16.28,;-29.61,17.82,;-28.26,18.58,;-26.94,17.79,;-26.94,16.27,;-28.28,15.5,;-25.61,18.57,;-24.2,17.94,;-23.15,19.06,;-23.92,20.39,;-23.44,21.86,;-24.45,23.02,;-25.97,22.7,;-26.45,21.24,;-25.43,20.11,;-29.47,-.41,;-28.16,.39,;-29.42,-1.95,;-28.06,-2.67,;-26.76,-1.87,;-25.41,-2.6,;-24.11,-1.79,;-25.37,-4.14,;-28.03,-4.22,;-29.33,-5.03,;-26.68,-4.95,;-26.65,-6.49,;-27.94,-7.29,;-27.89,-8.81,;-29.22,-9.63,;-26.56,-9.55,;-25.29,-7.2,;-23.99,-6.39,;-25.2,-8.74,;-23.85,-9.49,;-22.54,-8.68,;-22.6,-7.15,;-21.17,-9.42,;-23.79,-11.04,;-25.11,-11.84,;-22.43,-11.75,;-22.38,-13.29,;-23.68,-14.1,;-25.05,-13.36,;-23.63,-15.62,;-21.03,-14.02,;-19.72,-13.2,;-20.97,-15.56,;-22.05,-16.65,;-21.32,-18.02,;-19.82,-17.74,;-19.61,-16.22,;-18.24,-15.51,;-18.28,-13.98,;-16.91,-16.29,;-15.59,-15.51,;-15.61,-13.96,;-14.28,-13.18,;-14.31,-11.63,;-12.99,-10.84,;-12.96,-9.3,;-14.34,-8.56,;-11.69,-8.53,;-14.25,-16.26,;-14.23,-17.8,;-12.92,-15.47,;-11.57,-16.21,;-10.26,-15.41,;-10.27,-13.87,;-8.92,-16.17,;-7.6,-15.38,;-6.24,-16.13,;-6.22,-17.66,;-4.92,-15.34,;-3.58,-16.1,;-3.56,-17.65,;-2.21,-18.4,;-2.2,-19.93,;-.86,-20.68,;-.86,-22.22,;-2.17,-23.02,;.49,-22.98,;-2.25,-15.32,;-2.29,-13.77,;-.93,-16.1,;.4,-15.32,;.38,-13.77,;1.7,-12.99,;1.68,-11.44,;3,-10.66,;2.99,-9.12,;1.65,-8.35,;4.25,-8.34,;1.75,-16.07,;1.76,-17.61,;3.06,-15.26,;4.43,-15.97,;4.43,-17.51,;5.79,-18.26,;5.81,-19.81,;7.13,-20.6,;7.18,-22.14,;5.83,-22.94,;8.49,-22.91,;5.74,-15.18,;5.73,-13.65,;7.06,-15.97,;8.38,-15.18,;8.37,-13.65,;9.68,-12.86,;9.67,-11.32,;8.28,-10.6,;10.99,-10.52,;9.73,-15.94,;9.75,-17.47,;11.04,-15.14,;12.4,-15.88,;12.42,-17.41,;13.77,-18.16,;13.78,-19.69,;15.1,-20.47,;15.16,-22.01,;13.8,-22.83,;16.47,-22.78,;13.72,-15.08,;13.7,-13.55,;15.06,-15.83,;16.38,-15.03,;16.36,-13.5,;17.68,-12.71,;17.65,-11.16,;18.97,-10.38,;18.96,-8.84,;17.62,-8.11,;20.3,-8.06,;17.72,-15.79,;17.74,-17.32,;19.05,-15.01,;20.39,-15.76,;20.42,-17.29,;21.75,-18.04,;21.78,-19.59,;23.13,-20.34,;23.14,-21.9,;21.7,-14.98,;21.7,-13.43,;23.05,-15.73,;24.36,-14.92,;24.34,-13.38,;25.66,-12.59,;25.65,-11.05,;26.98,-10.26,;26.96,-8.74,;25.7,-15.67,;25.73,-17.2,;27.03,-14.89,;28.37,-15.64,;28.38,-17.17,;29.74,-17.92,;29.75,-19.45,;31.1,-20.2,;31.12,-21.74,;29.81,-22.52,;32.46,-22.49,;29.69,-14.85,;29.67,-13.3,;31.03,-15.6,;32.35,-14.8,;33.7,-15.55,;35.02,-14.78,;33.72,-17.09,)|
BDBM50352630 [#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@H](-[#6@H](-[#6])-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
BDBM50352631 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12 |r|
BDBM50352633 NCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50345597 Clc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50345598 NNc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50345599 Clc1nnn(c1-c1ccc2ccccc2c1)-c1ccncc1
BDBM50345600 c1nnn(c1-c1ccc2ccccc2c1)-c1ccncc1
BDBM50345601 c1cc(-c2ccc3ccccc3c2)n(n1)-c1ccncc1
BDBM50345602 c1cc(-c2ccncc2)n(n1)-c1ccc2ccccc2c1
BDBM50345603 c1ccc2cc(ccc2c1)-c1nnnn1-c1ccncc1
BDBM50345604 c1cn(c(n1)-c1ccncc1)-c1ccc2ccccc2c1
BDBM50345605 c1nnn(c1-c1ccncc1)-c1ccc2ccccc2c1
BDBM50345606 c1ccc2cc(ccc2c1)-c1[nH]nnc1-c1ccncc1
BDBM50345607 c1[nH]nc(c1-c1ccncc1)-c1ccc2ccccc2c1
BDBM50345608 c1ccc2cc(ccc2c1)-c1ncncc1-c1ccncc1
BDBM50345609 S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50345610 S=c1[nH]nc(-c2ccncc2)n1-c1cnc2ccccc2c1
BDBM50345611 Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
BDBM50345612 Cc1cc(ccn1)-c1n[nH]c(=S)n1-c1cnc2ccccc2c1
BDBM50345613 Fc1cnccc1-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
BDBM50345614 Brc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
BDBM50345615 S=c1[nH]nc(-c2ccncc2)n1-c1ccc2ncccc2c1
BDBM50345616 Nc1cc(ccn1)-c1n[nH]c(=S)n1-c1ccc2ccccc2c1
BDBM50345617 S=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
BDBM50345618 S=c1[nH]nc(-c2ccnc(NCC3CC3)c2)n1-c1ccc2ccccc2c1
BDBM50345619 FC(F)(F)c1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50345620 c1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50345621 Cc1nnc(-c2ccncc2)n1-c1ccc2ccccc2c1
BDBM50345622 c1ccc2cc(ccc2c1)-n1nnnc1-c1ccncc1
BDBM50358497 COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1
BDBM50358498 COc1ccc(Oc2cc(Nc3ccccc3-c3nnc[nH]3)c(Cl)cn2)cc1
BDBM50358499 CNC(=O)c1ccccc1Nc1cc(Oc2ccc(OC)cc2)ncc1Cl
BDBM50358509 NC(=O)c1ccccc1Nc1cc(Oc2ccc(cc2)-c2cccnc2)ncc1C(F)(F)F
BDBM50358512 NC(=O)c1ccccc1Nc1cc(Oc2ccc3OCOc3c2)ncc1C(F)(F)F
BDBM50358514 NC(=O)c1ccccc1Nc1cc(Oc2cccc3ccccc23)ncc1C(F)(F)F
BDBM50358515 COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c(Cl)c1
BDBM50358516 NC(=O)c1ccccc1Nc1cc(Oc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F
BDBM50358518 NC(=O)c1ccccc1Nc1cc(Oc2ccc(Br)cc2)ncc1C(F)(F)F
BDBM50358519 NC(=O)c1ccccc1Nc1cc(Oc2ccc(F)cc2)ncc1C(F)(F)F
BDBM50358520 CC(C)(C)Oc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
BDBM50358521 CCCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
BDBM50358522 CCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
BDBM50358523 NC(=O)c1ccccc1Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F
BDBM50358524 COc1ccccc1Oc1cc(Nc2ccccc2C(N)=O)c(cn1)C(F)(F)F
BDBM50358525 COc1cccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)c1
BDBM50358526 COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(cn2)C(F)(F)F)cc1
BDBM50358527 COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(Cl)cn2)cc1
BDBM50358528 COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1
BDBM50358529 NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(cc2)N2CCNCC2)c1
BDBM50358530 NC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)c1
BDBM50358531 COc1ccc(Oc2cc(N(C)c3ccccc3C(N)=O)c(Cl)cn2)cc1
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50358430 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50348880 Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50363446 COc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50363447 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)cc1
BDBM50363448 COc1ccc(Nc2ncc3nc(Nc4ccccc4Cl)n(C4CCCC4)c3n2)cc1
BDBM50363449 COc1ccc(Nc2ncc3nc(Nc4ccc(F)cc4F)n(C4CCCC4)c3n2)cc1
BDBM50363450 COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1
BDBM50363451 CNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
BDBM50363452 CCNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
BDBM50363453 CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1
BDBM50363454 Fc1ccccc1Nc1nc2cnc(NC3CCCCC3)nc2n1C1CCCC1
BDBM50363455 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-11.53,-21.51,;-10.75,-20.18,;-11.51,-18.84,;-10.74,-17.51,;-9.2,-17.52,;-8.43,-18.84,;-9.2,-20.18,;-8.44,-16.18,;-6.9,-16.18,;-6.13,-14.85,;-4.59,-14.85,;-3.83,-16.18,;-2.33,-16.49,;-2.17,-18.02,;-.84,-18.79,;.49,-18.03,;1.83,-18.8,;3.16,-18.02,;3.16,-16.47,;1.82,-15.71,;.5,-16.48,;-.84,-15.71,;-3.58,-18.65,;-3.58,-20.19,;-4.83,-21.09,;-4.36,-22.55,;-2.82,-22.56,;-2.34,-21.1,;-4.6,-17.51,;-6.13,-17.51,)|
BDBM50363456 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(6.38,-21.6,;7.16,-20.27,;6.39,-18.93,;7.16,-17.6,;8.7,-17.61,;9.48,-18.94,;8.7,-20.27,;9.47,-16.28,;11.01,-16.28,;11.78,-14.94,;13.31,-14.95,;14.07,-16.28,;15.58,-16.59,;15.73,-18.12,;17.06,-18.89,;18.4,-18.12,;19.73,-18.89,;21.07,-18.12,;21.06,-16.57,;19.73,-15.8,;18.4,-16.57,;17.07,-15.8,;14.33,-18.75,;14.33,-20.28,;13.08,-21.18,;13.55,-22.65,;15.09,-22.65,;15.57,-21.19,;13.3,-17.6,;11.77,-17.6,)|
BDBM50363457 CCn1c(Nc2ccccc2F)nc2cnc(Nc3ccc(OC)cc3)nc12
BDBM50363458 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1
BDBM50363459 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1
BDBM50363460 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1
BDBM50363461 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@H]4CC[C@H](N)CC4)c3n2)cc1 |r,wU:22.22,wD:25.26,(-13.48,-37.94,;-11.94,-37.94,;-11.16,-36.6,;-11.95,-35.27,;-11.17,-33.93,;-9.63,-33.94,;-8.86,-32.6,;-7.31,-32.6,;-6.54,-31.27,;-5.01,-31.27,;-4.25,-32.6,;-2.74,-32.92,;-2.59,-34.45,;-1.25,-35.22,;.08,-34.45,;1.42,-35.22,;2.76,-34.45,;2.75,-32.89,;1.41,-32.13,;.08,-32.9,;-1.25,-32.13,;-3.99,-35.07,;-4,-36.61,;-2.67,-37.37,;-2.68,-38.91,;-4.01,-39.68,;-4.02,-41.22,;-5.34,-38.9,;-5.33,-37.37,;-5.02,-33.93,;-6.55,-33.93,;-8.85,-35.26,;-9.61,-36.6,)|
BDBM50363462 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@H](O)CC4)c3n2)cc1 |r,wU:22.22,25.26,(4.81,-38.68,;6.35,-38.68,;7.12,-37.34,;6.35,-36.01,;7.12,-34.67,;8.66,-34.68,;9.43,-33.35,;10.97,-33.34,;11.74,-32.01,;13.27,-32.01,;14.04,-33.34,;15.54,-33.66,;15.7,-35.19,;17.03,-35.96,;18.37,-35.19,;19.7,-35.96,;21.04,-35.19,;21.04,-33.64,;19.7,-32.87,;18.37,-33.64,;17.03,-32.87,;14.29,-35.82,;14.29,-37.35,;12.95,-38.11,;12.94,-39.64,;14.27,-40.42,;14.26,-41.96,;15.61,-39.66,;15.62,-38.11,;13.26,-34.67,;11.74,-34.67,;9.43,-36,;8.67,-37.34,)|
BDBM50363463 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCOCC4)c3n2)cc1
BDBM50363464 COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@@H]4CC[C@@H](CC4)C(N)=O)c3n2)cc1 |r,wU:22.22,25.29,(14.63,-45.79,;16.17,-45.79,;16.94,-44.45,;16.17,-43.11,;16.94,-41.78,;18.48,-41.79,;19.25,-40.45,;20.79,-40.45,;21.56,-39.12,;23.09,-39.12,;23.86,-40.45,;25.36,-40.76,;25.52,-42.29,;26.85,-43.06,;28.19,-42.29,;29.52,-43.07,;30.86,-42.29,;30.85,-40.74,;29.52,-39.98,;28.19,-40.75,;26.85,-39.98,;24.11,-42.92,;24.11,-44.46,;22.77,-45.21,;22.77,-46.74,;24.09,-47.52,;25.43,-46.76,;25.44,-45.22,;24.08,-49.06,;25.41,-49.84,;22.74,-49.83,;23.08,-41.77,;21.56,-41.77,;19.25,-43.11,;18.49,-44.44,)|
BDBM50363465 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cccc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-8.05,-2.1,;-7.28,-.77,;-5.74,-.77,;-4.96,.56,;-5.74,1.89,;-7.27,1.89,;-8.04,.57,;-4.97,3.22,;-3.43,3.22,;-2.66,4.56,;-1.12,4.55,;-.36,3.22,;1.14,2.91,;1.29,1.38,;2.63,.61,;3.96,1.38,;3.96,2.92,;2.63,3.69,;5.29,3.7,;6.63,2.93,;6.63,1.38,;5.3,.61,;5.3,-.93,;-.11,.75,;-.11,-.78,;-1.36,-1.68,;-.89,-3.15,;.65,-3.15,;1.13,-1.69,;-1.14,1.9,;-2.66,1.9,)|
BDBM50363466 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(9.91,-2.33,;10.68,-1,;12.22,-1.01,;13,.33,;12.22,1.65,;10.69,1.66,;9.92,.33,;12.99,2.99,;14.53,2.99,;15.3,4.32,;16.83,4.32,;17.6,2.99,;19.1,2.68,;19.25,1.15,;20.59,.38,;21.92,1.15,;21.92,2.69,;20.59,3.46,;23.25,3.46,;24.59,2.7,;25.92,3.47,;24.59,1.15,;23.26,.38,;23.25,-1.16,;17.85,.52,;17.85,-1.02,;16.6,-1.92,;17.07,-3.38,;18.61,-3.39,;19.09,-1.93,;16.82,1.67,;15.3,1.67,)|
BDBM50363467 N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-5.55,-13.29,;-4.78,-11.95,;-3.24,-11.96,;-2.46,-10.62,;-3.24,-9.3,;-4.78,-9.29,;-5.55,-10.62,;-2.47,-7.96,;-.93,-7.96,;-.16,-6.63,;1.37,-6.63,;2.13,-7.96,;3.64,-8.27,;3.79,-9.8,;5.12,-10.57,;6.46,-9.8,;7.79,-10.58,;9.13,-9.8,;9.12,-8.25,;10.46,-7.48,;7.79,-7.49,;6.46,-8.26,;5.13,-7.49,;2.39,-10.43,;2.39,-11.97,;1.14,-12.87,;1.61,-14.33,;3.15,-14.34,;3.63,-12.88,;1.36,-9.29,;-.16,-9.28,)|
BDBM50364369 Fc1ccc(Nc2nc3cnc(nc3n2C2CCCC2)C2CCOCC2)c(F)c1
BDBM50364370 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:4.3,wD:7.10,(12.24,-16.76,;13.78,-16.76,;13,-18.08,;14.55,-18.1,;14.55,-15.43,;13.78,-14.09,;14.55,-12.76,;16.09,-12.76,;16.87,-14.09,;16.09,-15.43,;16.85,-11.43,;18.39,-11.42,;19.15,-10.09,;20.69,-10.09,;21.46,-11.42,;22.96,-11.73,;23.12,-13.25,;24.46,-14.02,;25.79,-13.24,;27.12,-14.02,;28.45,-13.24,;28.45,-11.7,;29.78,-10.92,;27.1,-10.94,;25.78,-11.71,;24.44,-10.95,;21.73,-13.88,;21.25,-15.34,;19.78,-15.8,;19.76,-17.34,;21.22,-17.83,;22.14,-16.6,;20.7,-12.74,;19.16,-12.74,)|
BDBM50364371 CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:4.3,wD:7.10,(-5.78,-30.64,;-4.24,-30.65,;-5.02,-31.97,;-3.47,-31.98,;-3.47,-29.31,;-4.23,-27.97,;-3.47,-26.64,;-1.93,-26.64,;-1.15,-27.97,;-1.92,-29.31,;-1.16,-25.31,;.38,-25.3,;1.14,-23.97,;2.68,-23.97,;3.45,-25.3,;4.95,-25.61,;5.11,-27.13,;6.45,-27.9,;7.78,-27.12,;9.11,-27.9,;10.44,-27.12,;10.44,-25.58,;11.77,-24.8,;9.09,-24.82,;7.77,-25.59,;6.43,-24.83,;3.72,-27.76,;2.99,-29.12,;1.45,-29.15,;.72,-30.5,;1.53,-31.82,;3.07,-31.78,;3.81,-30.42,;2.69,-26.63,;1.14,-26.62,)|
BDBM50364372 CCO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:3.2,wD:6.9,(15.15,-29.94,;15.92,-31.28,;17.46,-31.28,;18.23,-29.95,;17.47,-28.61,;18.23,-27.28,;19.77,-27.28,;20.55,-28.61,;19.78,-29.95,;20.54,-25.94,;22.08,-25.94,;22.84,-24.61,;24.38,-24.6,;25.15,-25.93,;26.65,-26.25,;26.81,-27.77,;28.15,-28.53,;29.48,-27.76,;30.81,-28.53,;32.14,-27.76,;32.14,-26.22,;33.47,-25.44,;30.79,-25.45,;29.47,-26.23,;28.13,-25.47,;25.42,-28.4,;24.69,-29.75,;23.15,-29.79,;22.42,-31.14,;23.23,-32.45,;24.77,-32.41,;25.51,-31.05,;24.39,-27.26,;22.84,-27.26,)|
BDBM50364373 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:5.4,wD:8.11,(-9.55,-42.42,;-8.78,-43.75,;-8.38,-45.23,;-9.88,-44.84,;-7.24,-43.75,;-6.46,-42.42,;-7.23,-41.08,;-6.47,-39.75,;-4.93,-39.75,;-4.15,-41.08,;-4.92,-42.42,;-4.16,-38.42,;-2.62,-38.41,;-1.86,-37.08,;-.32,-37.08,;.45,-38.41,;1.95,-38.72,;2.11,-40.24,;3.45,-41.01,;4.78,-40.23,;6.12,-41.01,;7.45,-40.23,;7.44,-38.69,;8.77,-37.91,;6.1,-37.92,;4.77,-38.7,;3.43,-37.94,;.72,-40.87,;-.01,-42.23,;-1.55,-42.26,;-2.28,-43.61,;-1.47,-44.93,;.07,-44.88,;.81,-43.53,;-.31,-39.73,;-1.85,-39.73,)|
BDBM50364374 C[C@]1(O)CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.1,wD:5.8,1.0,(18.03,-43.32,;17.64,-41.84,;16.29,-42.6,;16.87,-40.5,;17.64,-39.17,;19.17,-39.17,;19.96,-40.5,;19.18,-41.84,;19.94,-37.83,;21.48,-37.83,;22.24,-36.5,;23.79,-36.5,;24.56,-37.83,;26.05,-38.14,;26.22,-39.66,;27.55,-40.43,;28.89,-39.65,;30.22,-40.43,;31.55,-39.65,;31.55,-38.11,;32.88,-37.33,;30.2,-37.34,;28.87,-38.12,;27.53,-37.36,;24.82,-40.29,;24.09,-41.65,;22.56,-41.68,;21.83,-43.03,;22.63,-44.35,;24.17,-44.3,;24.91,-42.95,;23.79,-39.15,;22.25,-39.15,)|
BDBM50364375 CC(C)(O)[C@H]1CC[C@H](C1)c1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r|
BDBM50364376 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CCOC3)c2n1 |r,wU:25.26,1.0,wD:4.7,(16.86,-3.04,;17.63,-1.71,;16.86,-.37,;17.63,.96,;19.17,.96,;19.95,-.37,;19.17,-1.71,;19.93,2.3,;21.47,2.3,;22.23,3.63,;23.77,3.63,;24.54,2.3,;26.04,1.99,;26.2,.47,;27.54,-.3,;28.87,.48,;28.86,2.01,;27.52,2.77,;30.18,2.79,;31.53,2.02,;32.86,2.8,;31.53,.48,;30.2,-.29,;30.2,-1.83,;24.81,-.16,;24.36,-1.63,;22.91,-2.14,;22.94,-3.68,;24.41,-4.13,;25.3,-2.86,;23.78,.98,;22.24,.98,)|
BDBM50364377 CNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:4.3,wD:28.29,7.10,(11.28,-17.55,;12.05,-16.21,;13.59,-16.22,;14.36,-17.55,;14.36,-14.88,;13.6,-13.55,;14.36,-12.22,;15.9,-12.22,;16.68,-13.54,;15.9,-14.88,;16.66,-10.88,;18.2,-10.88,;18.96,-9.55,;20.51,-9.54,;21.27,-10.87,;22.77,-11.19,;22.93,-12.71,;24.27,-13.47,;25.6,-12.7,;25.59,-11.17,;24.25,-10.41,;26.91,-10.39,;28.26,-11.16,;29.59,-10.38,;28.26,-12.7,;26.93,-13.47,;26.93,-15.01,;21.54,-13.33,;21.09,-14.81,;19.64,-15.31,;19.67,-16.85,;21.15,-17.3,;22.03,-16.04,;20.51,-12.2,;18.97,-12.2,)|
BDBM50364378 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
BDBM50364379 CC(C)Nc1ncc2nc(Nc3c(F)cccc3F)n([C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,23.24,(16.31,-.3,;17.85,-.29,;18.62,1.04,;18.63,-1.63,;20.16,-1.62,;20.92,-.29,;22.47,-.29,;23.24,-1.62,;24.73,-1.93,;24.9,-3.45,;26.23,-4.22,;27.56,-3.44,;27.55,-1.91,;26.21,-1.15,;28.87,-1.13,;30.22,-1.9,;30.22,-3.44,;28.89,-4.22,;28.89,-5.76,;23.5,-4.08,;22.76,-5.42,;21.21,-5.45,;20.47,-6.79,;21.26,-8.11,;20.51,-9.46,;22.8,-8.08,;23.55,-6.73,;22.48,-2.94,;20.93,-2.94,)|
BDBM50364380 CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(N)=O)c2n1 |r,wU:21.21,24.28,(-6.14,-14,;-4.6,-14,;-3.83,-12.66,;-3.82,-15.33,;-2.28,-15.33,;-1.52,-14,;.02,-13.99,;.79,-15.32,;2.28,-15.64,;2.45,-17.16,;3.78,-17.92,;5.12,-17.15,;5.1,-15.62,;3.76,-14.86,;6.43,-14.84,;7.77,-15.61,;9.1,-14.83,;7.78,-17.15,;6.45,-17.92,;6.45,-19.46,;1.05,-17.78,;.31,-19.13,;-1.23,-19.15,;-1.98,-20.49,;-1.19,-21.82,;.35,-21.79,;1.11,-20.44,;-1.94,-23.16,;-3.48,-23.19,;-1.15,-24.48,;.03,-16.65,;-1.52,-16.65,)|
BDBM50364381 CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)NC3CC3)c2n1 |r,wU:21.21,24.28,(15.56,-14.27,;17.1,-14.26,;17.87,-12.93,;17.88,-15.59,;19.42,-15.59,;20.18,-14.26,;21.72,-14.26,;22.49,-15.59,;23.98,-15.9,;24.15,-17.42,;25.48,-18.18,;26.81,-17.41,;26.8,-15.88,;25.46,-15.12,;28.13,-15.1,;29.47,-15.87,;30.8,-15.09,;29.48,-17.41,;28.14,-18.18,;28.14,-19.72,;22.75,-18.05,;22.01,-19.39,;20.47,-19.41,;19.72,-20.76,;20.51,-22.08,;22.05,-22.05,;22.81,-20.7,;19.76,-23.42,;20.55,-24.75,;18.22,-23.45,;17.43,-22.13,;17.4,-20.59,;16.08,-21.38,;21.73,-16.91,;20.18,-16.91,)|
BDBM50364382 CC(C)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@@H]3CC[C@@H](CC3)C(=O)N3CCOCC3)c2n1 |r,wU:21.21,24.28,(-4.33,-32.66,;-2.79,-32.66,;-2.03,-31.32,;-2.02,-33.99,;-.48,-33.98,;.28,-32.66,;1.82,-32.65,;2.59,-33.98,;4.09,-34.29,;4.25,-35.81,;5.59,-36.58,;6.92,-35.8,;6.91,-34.28,;5.57,-33.52,;8.23,-33.5,;9.58,-34.26,;10.91,-33.49,;9.58,-35.8,;8.25,-36.58,;8.25,-38.12,;2.86,-36.44,;2.11,-37.78,;.57,-37.81,;-.17,-39.15,;.62,-40.47,;2.16,-40.45,;2.91,-39.1,;-.13,-41.82,;.66,-43.14,;-1.67,-41.84,;-2.46,-40.52,;-3.99,-40.54,;-4.75,-41.89,;-3.96,-43.21,;-2.42,-43.19,;1.83,-35.31,;.29,-35.31,)|
BDBM50364383 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.84,-5.68,;-5.07,-4.34,;-5.84,-3.01,;-5.08,-1.68,;-3.54,-1.68,;-2.76,-3.01,;-3.53,-4.34,;-2.77,-.34,;-1.23,-.34,;-.47,.99,;1.07,1,;1.84,-.33,;3.33,-.65,;3.5,-2.17,;4.83,-2.93,;6.16,-2.16,;7.49,-2.93,;8.83,-2.16,;8.82,-.62,;10.15,.16,;7.48,.15,;6.15,-.63,;4.81,.13,;2.1,-2.79,;1.57,-4.24,;.09,-4.65,;.03,-6.19,;1.47,-6.73,;2.43,-5.52,;1.08,-1.66,;-.47,-1.66,)|
BDBM50364384 O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3ccc(F)cc3F)n(C3CCOCC3)c2n1 |r,wU:1.0,wD:4.7,(13.36,-4.29,;14.13,-2.95,;13.36,-1.62,;14.13,-.29,;15.66,-.29,;16.45,-1.62,;15.67,-2.95,;16.43,1.05,;17.97,1.06,;18.73,2.39,;20.28,2.39,;21.04,1.06,;22.54,.75,;22.71,-.77,;24.04,-1.54,;25.38,-.77,;26.71,-1.54,;28.04,-.77,;28.03,.78,;29.37,1.55,;26.69,1.54,;25.36,.76,;24.02,1.52,;21.31,-1.4,;20.55,-2.75,;19.02,-2.75,;18.26,-4.09,;19.04,-5.42,;20.59,-5.41,;21.35,-4.06,;20.28,-.27,;18.74,-.27,)|
BDBM50373198 CCCCc1ccc2c(c1)c(-c1ccccc1)c(C(=O)OC)n(Cc1ccccc1)c2=O
BDBM50373199 COC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1Cc1ccccc1
BDBM50373200 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NC(=O)CCC(O)=O)cc1
BDBM50373201 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
BDBM50373202 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(C)(=O)=O)cc1
BDBM50373203 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(N)cc1
BDBM50373204 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O
BDBM50373205 COC(=O)c1ccc(Cn2c(C(=O)OC)c(-c3ccccc3)c3cc(Br)ccc3c2=O)cc1
BDBM50373206 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(OC)cc1
BDBM50373207 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1cccc(OC)c1
BDBM50373208 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1OC
BDBM50373209 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCc1ccccc1
BDBM50373210 OCc1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1
BDBM50373211 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1
BDBM50373212 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1
BDBM50373213 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCCc1ccccc1
BDBM50373214 OC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1
BDBM50373215 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50373216 COC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50373217 COC(=O)c1c(-c2ccccc2)c2cc(C)ccc2c(=O)n1Cc1ccccc1
BDBM50373218 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)cc1
BDBM50373219 COC(=O)c1cccc(Cn2c(C(=O)OC)c(-c3ccccc3)c3cc(Br)ccc3c2=O)c1
BDBM50373193 COC(=O)c1c(-c2cccc(CO)c2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50373194 COC(=O)c1c(-c2ccc(CO)cc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50373195 COC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50373196 COC(=O)c1c(-c2ccccc2)c2cc(ccc2c(=O)n1Cc1ccccc1)C(O)=O
BDBM50373197 COC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2c(=O)n1Cc1ccccc1
BDBM50376110 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(CC(F)F)n1
BDBM50376111 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC2CC2)n(C)n1
BDBM50376112 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(CC)n1
BDBM50376113 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)N(C)C)n(C)n1
BDBM50376114 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(=O)NC)n(C)n1
BDBM50376115 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(C(N)=O)n(C)n1
BDBM50376116 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n[nH]1)C(=O)NC
BDBM50376117 CCNC(=O)n1cc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1
BDBM50376118 CCNC(=O)n1ccc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)n1
BDBM50376119 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cn(C(=O)NC)c(C)n1
BDBM50376120 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)C(O)=O
BDBM50376121 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50376122 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(N)=O)n1)S(C)(=O)=O
BDBM50376123 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(C)=O)n1)S(C)(=O)=O
BDBM50376124 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CCC(C)(C)O)n1)S(C)(=O)=O
BDBM50376125 CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O
BDBM50365995 O=C(Cc1ccccc1)Nc1sc2CCCCc2c1C#N
BDBM50365426 COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50379277 CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)cc(C)n1
BDBM50390259 CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
BDBM50390260 CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
BDBM50390262 NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
BDBM50389154 COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
BDBM50389241 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50392989 COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1
BDBM50392990 COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(1.04,-20.36,;-.3,-19.58,;-.29,-18.04,;1.04,-17.28,;-1.62,-17.27,;-1.62,-15.72,;-.28,-14.95,;-.29,-13.41,;1.04,-12.64,;1.04,-11.1,;-.3,-10.34,;-1.63,-11.12,;-1.62,-12.65,;-.3,-8.8,;1.03,-8.02,;-1.64,-8.03,;-1.64,-6.49,;-2.98,-5.73,;-2.98,-4.19,;-1.65,-3.42,;-1.65,-1.88,;-.31,-4.19,;-.31,-5.72,;-2.97,-14.93,;-2.97,-13.39,;-4.31,-15.71,;-5.64,-14.95,;-6.97,-15.72,;-6.97,-17.26,;-8.31,-18.03,;-5.64,-18.03,;-4.31,-17.27,;-2.97,-18.04,;-2.97,-19.57,;-4.31,-20.34,;-4.32,-21.88,;-2.98,-22.65,;-1.64,-21.88,;-1.65,-20.34,)|
BDBM50392991 COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2cccnc2n1-c1ccccc1
BDBM50392992 COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](N)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18|
BDBM50392984 COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1 |r|
BDBM50392985 COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18|
BDBM50392986 COC(=O)c1c(Cc2ccc(cc2)C(=O)NCC(C)(C)O)c(=O)c2cccnc2n1-c1ccccc1
BDBM50392982 COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM50392983 COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18|
BDBM50392987 COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2cccnc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(13.6,-20.56,;12.27,-19.79,;12.27,-18.25,;13.61,-17.48,;10.94,-17.47,;10.94,-15.92,;12.28,-15.15,;12.27,-13.61,;13.61,-12.85,;13.61,-11.31,;12.28,-10.54,;10.94,-11.31,;10.95,-12.85,;12.28,-9,;13.61,-8.23,;10.94,-8.23,;10.94,-6.69,;9.61,-5.93,;9.61,-4.38,;10.95,-3.61,;10.95,-2.07,;12.28,-4.39,;12.28,-5.92,;9.59,-15.13,;9.59,-13.59,;8.25,-15.91,;6.92,-15.15,;5.59,-15.92,;5.59,-17.47,;6.92,-18.24,;8.25,-17.47,;9.59,-18.24,;9.59,-19.78,;8.25,-20.54,;8.24,-22.08,;9.58,-22.86,;10.92,-22.08,;10.91,-20.55,)|
BDBM50392988 COC(=O)c1c(Cc2ccc(cc2)C(=O)NC(C)(C)CO)c(=O)c2cccnc2n1-c1ccccc1
BDBM50391643 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
BDBM50386693 CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50401285 CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50404281 C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
BDBM50402847 CCn1c(=O)n(-c2ccccc2)c2ccccc2c1=O
BDBM50402825 COC(=O)c1c(CN2CC[C@H](C2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 |r|
BDBM50402826 COC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM50402020 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
BDBM50402827 COC(=O)c1c(CN2CC[C@@H](C2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 |r|
BDBM50402828 COC(=O)c1c(CN2CCN(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM50402830 COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM50402831 COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)CCO)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM50402832 COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCC(O)CC2)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM50402834 COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
BDBM50402835 CNS(=O)(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM50402836 COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM50402837 CCNC(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1
BDBM50402838 CCNC(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3nc(C)ccc3c2=O)cc1
BDBM50402839 COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1
BDBM50402840 COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(C)nc2n1-c1ccccc1
BDBM50402841 COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM50402842 COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1
BDBM50402843 COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(C)nc2n1-c1ccccc1
BDBM50402844 O=c1n(Cc2ccccc2)c(=O)c2ccccc2n1-c1ccccc1
BDBM50402845 Clc1ccc2c(c1)n(-c1ccccc1)c(=O)n(Cc1ccccc1)c2=O
BDBM50402846 COC(=O)c1c(Cc2ccccc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM50415620 COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
BDBM50415616 COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
BDBM50411405 O=C(Nc1sc2N(CCCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
BDBM50411406 O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
BDBM50411407 O=C(Nc1sc2N(CCCc2c1C#N)C(=O)c1ccn[nH]1)c1cccc2ccccc12
BDBM50411408 CS(=O)(=O)c1ccc(CN2CCCc3c2sc(NC(=O)c2cccc4ccccc24)c3C#N)cc1
BDBM50411410 O=C(Nc1sc2CN(CCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
BDBM50412093 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCCC(O)=O)n2)cc1
BDBM50412094 CC(CO)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50412095 CC(C)[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50411413 Fc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N
BDBM50411414 Fc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C#N
BDBM50411415 O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
BDBM50411416 Brc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N
BDBM50411417 O=C(Nc1sc2N(Cc3cccnc3)CCCc2c1C#N)c1cccc2ccccc12
BDBM50411419 Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc12
BDBM50411421 CN(C)CC(=O)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
BDBM50420398 CCOc1nc(NCCc2ccccc2)cc(N)c1C#N
BDBM50420400 CCOc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
BDBM50420401 CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
BDBM50432373 OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
BDBM50433093 Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cc(ccn1)C(=O)NCCN1CCOCC1
BDBM50433916 O=C1c2ccccc2-c2[nH]nc3cccc1c23
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50430333 COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
BDBM50430339 CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
BDBM50430345 COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
BDBM50430348 NCc1ccc(cc1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
BDBM50430357 COc1cc(cc2c1nc([nH]c2=O)C(N)c1cccc(Cl)c1)-c1cn[nH]c1
BDBM50430359 NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
BDBM50430367 COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|
BDBM50430368 COc1cc(cc2c1nc([nH]c2=O)[C@H](N)Cc1cccc(F)c1)-c1cn[nH]c1 |r|
BDBM50430370 N[C@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
BDBM50430371 N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
BDBM50430373 N[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
BDBM50430374 O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
BDBM50430376 CN(C)CC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
BDBM50430377 Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
BDBM50420399 CCOc1nc(Nc2ccccc2)cc(N)c1C#N
BDBM50422600 COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)c1
BDBM50422601 COc1ccc(OC)c(CNc2[nH]nc3ccc(c(Oc4ccccc4)c23)[N+]([O-])=O)c1
BDBM50422602 CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)cc1
BDBM50422603 COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(cc4)S(C)(=O)=O)c23)c1
BDBM50422604 Clc1cccc(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1
BDBM50422605 COc1ccc(OC)c(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)c1
BDBM50422606 Fc1ccccc1Oc1ncccc1C(=O)NCc1ccccc1Cl
BDBM50422607 CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccccc4)c23)cc1
BDBM50422608 COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1
BDBM50422609 Clc1ccccc1CNC(=O)c1ccccc1Oc1ccccc1
BDBM50422610 [O-][N+](=O)c1ccc2[nH]nc(NCc3ccccc3Cl)c2c1Oc1ccccc1
BDBM50422611 Clc1ccc(Cl)c(CNc2[nH]nc3cccc(Oc4ccccc4)c23)c1
BDBM50422612 COc1ccc(OC)c(CNC(=O)c2cccnc2Oc2ccccc2)c1
BDBM50422613 Clc1ccccc1CNC(=O)c1cccnc1Oc1ccccc1
BDBM50422614 Nc1ccc2[nH]nc(NCc3ccccc3Cl)c2c1Oc1ccccc1
BDBM50422615 C[C@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccccc1
BDBM50422616 CC(=O)Nc1ccc(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)cc1
BDBM50422617 COc1ccc(Oc2ncccc2C(=O)NCc2ccccc2Cl)cc1
BDBM50422618 CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(cc4)S(C)(=O)=O)c23)cc1
BDBM100631 OC12CC3CC(C1)C(NC(=O)NCc1cn(-c4ccccc4)c4cc(Cl)ccc4c1=O)C(C3)C2 |TLB:8:7:33:3.2.32,8:7:3.4.32:33.1.6,4:3:33:7.5.6,4:5:33:3.2.32,THB:2:3:7:33.1.6,2:1:7:3.4.32,(6.52,7.49,;6.52,5.95,;7.85,5.19,;7.85,3.65,;6.96,1.72,;5.75,2.39,;5.77,4.79,;4.36,1.75,;4.36,.21,;3.02,-.56,;3.02,-2.1,;1.69,.21,;.15,.21,;-1.18,-.56,;-1.18,-2.1,;-2.52,-2.87,;-2.52,-4.41,;-3.85,-5.18,;-3.85,-6.72,;-2.52,-7.49,;-1.18,-6.72,;-1.18,-5.18,;-3.85,-2.1,;-5.19,-2.87,;-6.52,-2.1,;-7.85,-2.87,;-6.52,-.56,;-5.19,.21,;-3.85,-.56,;-2.52,.21,;-2.52,1.75,;5.19,3.65,;6.52,2.88,;5.19,5.19,)|
BDBM100554 COC(=O)c1c(CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM50024294 Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
BDBM50089238 CC(C)n1c2nc(N[C@H]3CC[C@H](N)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
BDBM50089240 CC[C@H](C)[C@@H](CO)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50059650 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)N1CCOCC1
BDBM50059652 NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCC2=O)ncc1Cl
BDBM50059654 Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
BDBM50059655 COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
BDBM50059656 O\N=C1\c2ccccc2-c2nc3ccccc3nc12
BDBM50059659 COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
BDBM50059660 COc1cc(NC(=O)c2cccc(c2)-n2ncc3cc(Nc4ccccc4F)ccc23)cc(OC)c1OC
BDBM50059661 CN(C)c1ccc(cc1)-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1
BDBM50059663 Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.62,5.38,;-8.75,6.43,;-10.27,6.2,;-11.04,4.86,;-10.48,3.43,;-9.01,2.98,)|
BDBM50059664 Clc1ccccc1Nc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCCN1CCN(CC1)C1CCC1
BDBM50059665 COc1ccc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)cc1
BDBM50059190 FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
BDBM50032746 Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cc(C)n1
BDBM50032752 Cc1nn(C)cc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50032753 Cn1nccc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50032750 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCC1CCNCC1
BDBM50059649 NC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl
BDBM50059657 O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
BDBM50059662 Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:15.17,wD:18.24,(4.88,5.24,;3.83,4.58,;3.72,3.05,;2.23,2.7,;1.41,3.98,;2.4,5.16,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-9.05,3.07,;-10.39,3.83,;-10.39,5.37,;-9.06,6.15,;-7.72,5.38,)|
BDBM50032745 Cc1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)ccn1
BDBM50032747 Cc1ccc(CNC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032748 CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032749 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNCC1
BDBM50032751 Cn1cnc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1
BDBM50032754 Cn1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1
BDBM50032755 Cn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032756 Cc1ncc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032777 Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c(C)n1
BDBM50032799 Cc1ncccc1NC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50032806 Cc1ccc(NC(=O)c2cccc(c2F)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032807 Cc1ccc(NC(=O)c2cc(ccc2F)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032809 Cc1ccc(NC(=O)c2ccc(F)c(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032811 Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccc(F)cc3)cn2)cn1
BDBM50032812 Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3cccc(F)c3)cn2)cn1
BDBM50032813 Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3F)cn2)cn1
BDBM50032816 Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032817 Cc1ccc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3)cn2)cn1
BDBM50032818 CN(C)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032819 CCN(CC)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032820 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(CCN2CCCC2)c1
BDBM50032821 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
BDBM50032822 CCN(CC)CCNC(=O)c1cccc(c1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50032823 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCCCN1CCCC1
BDBM50032825 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CNC1
BDBM50032826 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NC1CCNC1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50134593 Cn1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134596 Cn1c2nc(Nc3ccc(cc3)N3CCC(O)CC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134597 Cn1c2nc(NCc3cccc(c3)C(F)(F)F)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134598 CN1CCN(CCCNc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)CC1
BDBM50110178 CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
BDBM50134599 Cn1c2nc(NC3CCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134601 Cn1c2nc(NCCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134603 CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)cc1
BDBM50134604 Cn1c2nc(NCc3ccccn3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134605 COc1nc2nc(NC3CC3)ncc2cc1Oc1ccc(F)cc1F
BDBM50134606 Cn1c2nc(NC3CCOCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134607 Cn1c2nc(NC3CCCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134609 Cn1c2nc(NCCNS(C)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134610 CN1CCN(CC1)c1ccc(Nc2ncc3cc(Oc4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
BDBM50134612 Cn1c2nc(NC3CC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134613 Cn1c2nc(NCCN3CCOCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134615 Cn1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134616 Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCC(O)C1
BDBM50134618 Cn1c2nc(NCCN3CCOCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134619 Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(O)C1
BDBM50134621 Cn1c2nc(NCCc3ccccn3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134622 Cn1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134624 Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCCC(O)C1
BDBM50134625 Cn1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134627 Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCC(CO)CC1
BDBM50134628 CN(C)CCNc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
BDBM50134629 Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCCCC1CO
BDBM50134630 Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCC(O)CC1
BDBM50134631 Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(CO)CC1
BDBM50134632 Cn1c2nc(Nc3ccc(cc3)N3CCCC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134595 Cn1c2nc(NC3CCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50102607 Cc1cc(C)c(NC(=O)c2cc([nH]n2)-c2ccccc2)c(C)c1
BDBM50102611 CC(=O)c1cccc(NC(=O)c2cc([nH]n2)-c2ccccc2)c1
BDBM50102612 O=C(NCc1ccccc1)c1cc([nH]n1)-c1ccccc1
BDBM50102615 Fc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1
BDBM50102616 COc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1
BDBM50102617 COc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1OC
BDBM50102618 O=C(NCc1ccco1)c1cc([nH]n1)-c1ccccc1
BDBM50102619 COc1ccc(cc1)-c1cc(NC(=O)c2cc([nH]n2)-c2ccccc2)no1
BDBM50102620 Sc1nc2cc(NC(=O)c3cc([nH]n3)-c3ccccc3)ccc2[nH]1
BDBM50102622 O=C(NC1CC1)c1cc([nH]n1)-c1ccccc1
BDBM50102625 O=C(Nc1ccccc1)c1cc([nH]n1)-c1ccccc1
BDBM50102626 Clc1ccc(Cl)c(NC(=O)c2cc([nH]n2)-c2ccccc2)c1
BDBM50102627 [O-][N+](=O)c1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1
BDBM50102628 COc1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1
BDBM50102629 Brc1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1
BDBM50134608 Cn1c2nc(Nc3ccc(cc3)N3CCC(O)CC3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50134614 Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(O)CC1
BDBM50134617 Cn1c2nc(NCc3ccccn3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134623 Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCCC(O)C1
BDBM50134594 Cn1c2nc(NC3CCNCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134600 Cn1c2nc(NC3CCCCCC3)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50134602 Cn1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Oc2ccc(F)cc2F)c1=O
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50089222 O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)C1CC1 |r,wU:4.7,wD:1.0,(-4,-7.39,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.46,-1.49,;4.68,-2.83,)|
BDBM50089223 CC(C)n1c2nc(N[C@H]3CC[C@H](O)CC3)ncc2ccc1=O |r,wU:8.7,wD:11.11,(2.41,-3.7,;1.34,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.69,-.77,;-4.02,-1.54,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.01,-6.17,;-4,-7.41,;-5.35,-5.41,;-5.35,-3.86,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,)|
BDBM50089224 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCOCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;,-.77,;-1.33,-1.54,)|
BDBM50089225 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)|
BDBM50089226 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.33,-2.77,;,-.77,;-1.33,-1.54,)|
BDBM50089227 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)[nH]c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;,-.77,;-1.33,-1.54,)|
BDBM50089228 CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
BDBM50089230 CCNC(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089231 CC(C)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-5.35,-5.41,;-5.35,-3.86,;-4.02,-3.09,;-2.68,-3.86,;-2.67,-5.4,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089232 CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)|
BDBM50089233 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089234 CCNC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.67,-12.05,;-6.67,-10.81,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089235 CC(C)C(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:9.12,wD:6.5,(-6.41,-10.66,;-5.34,-10.04,;-4.27,-10.65,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)|
BDBM50089236 CC(C)n1c2nc(NC3CCOCC3)ncc2ccc1=O
BDBM50089237 CC(C)NC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
BDBM50089239 CC(C)C[C@@H](Nc1ncc2ccc(=O)n(C(C)C)c2n1)C(O)=O |r|
BDBM50089241 CC(C)n1c2nc(ncc2ccc1=O)N1CCC(CO)CC1
BDBM50089242 CC(C)c1nc2nc(N[C@H]3CC[C@H](O)CC3)ncc2c(=O)[nH]1 |r,wU:9.8,wD:12.12,(5.06,-.92,;4,-1.54,;4,-2.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-4,-7.39,;-5.34,-5.4,;-5.34,-3.86,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;2.66,.77,)|
BDBM50089243 O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)N1CCCC1 |r,wU:4.7,wD:1.0,(-4,-7.4,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.38,-.9,;6.41,-2.05,;5.64,-3.38,;4.14,-3.06,)|
BDBM50089244 CC(C)n1c2nc(NC3CCNCC3)ncc2ccc1=O
BDBM50134620 Cn1c2nc(ncc2cc(Oc2ccc(F)cc2F)c1=O)N1CCCC(CO)C1
BDBM50134626 Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCCC(CO)C1
BDBM50102613 Clc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1Cl
BDBM50102621 O=C(Nc1nccs1)c1cc([nH]n1)-c1ccccc1
BDBM50102623 O=C(Nc1ccccn1)c1cc([nH]n1)-c1ccccc1
BDBM50102632 Fc1cc(NC(=O)c2cc([nH]n2)-c2ccccc2)ccc1Cl
BDBM50134611 Cn1c2nc(NCCc3ccccn3)ncc2cc(Oc2c(Cl)cccc2Cl)c1=O
BDBM50089229 CC(C)C(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
BDBM50134592 CCOC(=O)N1CCC(CC1)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
BDBM50128294 N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
BDBM241338 CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
BDBM241235 COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1 |r|
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
BDBM351596 FC(F)(F)c1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
BDBM351659 FC(F)(F)c1ccc2n(CC(=O)Nc3sc(Cl)cc3-c3ncn[nH]3)c(=O)ccc2c1
BDBM351601 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1
BDBM50235816 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
BDBM50235820 FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
BDBM50235830 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
BDBM50235833 Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
BDBM50235817 FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
BDBM351572 COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)-c2ccncc2)cc1
BDBM351573 COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1
BDBM351574 Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1
BDBM351575 O=C(CN1C(=O)CCc2ccccc12)Nc1sccc1-c1ncn[nH]1
BDBM351576 Clc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1ncn[nH]1
BDBM351577 Clc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1
BDBM351578 O=C(Cc1ccc2OCCOc2c1)Nc1ccsc1-c1ncn[nH]1
BDBM351701 Clc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nc[nH]n1
BDBM351703 Cn1cnc(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
BDBM351704 Clc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1ncn[nH]1
BDBM351707 Clc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1nccs1
BDBM351708 O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nc2ccccc2s1
BDBM351709 Cc1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
BDBM351710 CN(C)CCCn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F
BDBM351579 Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1
BDBM351580 Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc2OCCOc2c1
BDBM351581 O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1ncn[nH]1
BDBM351582 Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1cccc2ncccc12
BDBM351583 Cc1csc(NC(=O)Cc2cccc3nccnc23)c1-c1ncn[nH]1
BDBM351584 Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
BDBM351585 Cc1csc(NC(=O)Cc2ccc(OCCCN3CCCCC3)cc2)c1-c1ncn[nH]1
BDBM351711 CN1CCN(CCCn2cnc(n2)-c2c(Cl)csc2NC(=O)Cn2c3ccc(cc3ccc2=O)C(F)(F)F)CC1
BDBM351712 CCc1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
BDBM351713 CN(C)CCn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F
BDBM351714 CN(C)CCN(C(=O)Cn1c2ccc(cc2ccc1=O)C(F)(F)F)c1scc(Cl)c1-c1nc[nH]n1
BDBM351715 O=C(CN1C(=O)CCc2ncccc12)Nc1scc(C#N)c1-c1nc[nH]n1
BDBM351716 Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccnn2ccc1=O
BDBM351586 Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
BDBM351587 Cc1csc(NC(=O)Cc2ccc(OCCn3ccnc3)cc2)c1-c1ncn[nH]1
BDBM351588 Brc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1ncn[nH]1
BDBM351589 Brc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1
BDBM351590 Brc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1
BDBM351717 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn(CCCN4CCOCC4)n3)c(=O)ccc2c1
BDBM351718 FC(F)(F)c1ccc2n(CC(=O)N(CCCN3CCCC3)c3scc(Cl)c3-c3nc[nH]n3)c(=O)ccc2c1
BDBM351719 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn(CCCN4CCCC4)n3)c(=O)ccc2c1
BDBM351720 Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2ccc(nc2ccc1=O)C(F)(F)F
BDBM351721 FC(F)(F)c1ccc(CC(=O)Nc2scc(Cl)c2-c2ncn[nH]2)c2cccnc12
BDBM351591 O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1ncn[nH]1
BDBM351592 O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1ncn[nH]1
BDBM351593 Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc(cc1)N1CCCC1=O
BDBM351597 Fc1ccc2N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)C(=O)CCc2c1
BDBM351598 Fc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
BDBM351722 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-n3nccn3)c(=O)ccc2c1
BDBM351723 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccc2n1
BDBM351724 CC(C)c1n[nH]c(n1)-c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ncccc12
BDBM351725 Brc1csc(NC(=O)Cn2c3ccc(Br)cc3ccc2=O)c1-c1nc[nH]n1
BDBM351726 Cn1cnc(n1)-c1c(NC(=O)CN2C(=O)CCc3ncccc23)scc1C#N
BDBM351727 Clc1csc(NC(=O)Cn2c3ccc(Br)cc3ccc2=O)c1-c1nc[nH]n1
BDBM351728 Clc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nc[nH]n1
BDBM351599 Clc1ccc2CCC(=O)N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
BDBM351600 Fc1cc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2cc1F
BDBM351602 Fc1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1
BDBM351603 Cc1csc(n1)-c1sccc1NC(=O)Cc1cccc2cnccc12
BDBM351605 O=C(CN1C(=O)CCc2cnccc12)Nc1ccsc1-c1cscn1
BDBM351606 O=C(CN1C(=O)CCc2ccccc12)Nc1ccsc1-c1cscn1
BDBM351729 FC(F)(F)c1cc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccn2n1
BDBM351730 FC(F)(F)c1cc2n(CC(=O)Nc3scc(Cl)c3-c3nc[nH]n3)c(=O)ccc2cn1
BDBM351731 Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2cc(nn2ccc1=O)C(F)(F)F
BDBM351732 Cn1cnc(n1)-c1c(Cl)csc1NC(=O)Cn1c2cc(ncc2ccc1=O)C(F)(F)F
BDBM351607 COc1nc(cs1)-c1sccc1NC(=O)Cc1cccc2cnccc12
BDBM351608 Clc1nc(cs1)-c1sccc1NC(=O)Cc1cccc2cnccc12
BDBM351609 O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1nccs1
BDBM351610 Cc1cnc(s1)-c1sccc1NC(=O)Cc1cccc2cnccc12
BDBM351611 O=C(Cc1ccc(OCCCN2CCCCC2)cc1)Nc1ccsc1-c1cscn1
BDBM351612 Cc1csc(NC(=O)Cc2cccc3cnccc23)c1-c1nc2ccccc2s1
BDBM351614 O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1ncco1
BDBM351615 COc1ccc(CC(=O)Nc2sccc2-c2noc(C)n2)cc1
BDBM351617 COc1ccc(CC(=O)Nc2ccsc2-c2nnc(C)o2)cc1
BDBM351618 COc1ccc(CC(=O)Nc2ccsc2-c2nnc(o2)C(C)C)cc1
BDBM351620 Cc1noc(n1)-c1c(C)csc1NC(=O)Cc1cccc2ccccc12
BDBM351621 Cc1noc(n1)-c1c(C)csc1NC(=O)Cc1ccc(cc1)-c1ccncc1
BDBM351622 Cc1noc(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM351623 O=C(Cc1cccc2cnccc12)Nc1scnc1-c1ncn[nH]1
BDBM351626 COc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1
BDBM351627 COc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1
BDBM351631 COc1ccc(CC(=O)Nc2sccc2-c2nn[nH]n2)cc1
BDBM351632 COc1ccc(CC(=O)Nc2sccc2-c2nnn(C)n2)cc1
BDBM351633 COCn1nnnc1-c1ccsc1NC(=O)Cc1ccc(OC)cc1
BDBM351634 Cn1ccnc1-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM351636 COc1ccc(CC(=O)Nc2ccsc2-c2c[nH]cn2)cc1
BDBM351637 O=C(CN1C(=O)CCc2ccccc12)Nc1ccsc1-c1c[nH]cn1
BDBM351639 Cc1nc(c[nH]1)-c1sccc1NC(=O)CN1C(=O)CCc2ccccc12
BDBM351645 Brc1csc(NC(=O)CN2C(=O)CCc3ccc(Br)cc23)c1-c1ncn[nH]1
BDBM351646 Brc1csc(NC(=O)Cc2ccnc3ccccc23)c1-c1nnc[nH]1
BDBM351648 Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2ccncc12
BDBM351649 Brc1csc(NC(=O)Cn2c3ccncc3ccc2=O)c1-c1ncn[nH]1
BDBM351650 Fc1ccc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc12
BDBM351652 FC(F)(F)c1cc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)cc2ncccc12
BDBM351653 Brc1csc(NC(=O)Cn2c3cccnc3ccc2=O)c1-c1ncn[nH]1
BDBM351654 Brc1csc(NC(=O)CN2C(=O)CCc3cnccc23)c1-c1ncn[nH]1
BDBM351655 Brc1csc(NC(=O)CN2C(=O)CCc3ncccc23)c1-c1ncn[nH]1
BDBM351656 Clc1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2c1
BDBM351657 Fc1cccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc12
BDBM351658 Fc1cnc2c(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cccc2c1
BDBM351660 Clc1cc(c(NC(=O)Cc2cncc3ccccc23)s1)-c1ncn[nH]1
BDBM351662 Fc1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)c2c1
BDBM351664 Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1ncn[nH]1
BDBM351665 Brc1csc(NC(=O)Cc2cccc3ccncc23)c1-c1ncn[nH]1
BDBM351666 Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1ncn[nH]1
BDBM351668 FC(F)(F)c1cccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc12
BDBM351669 FC(F)(F)c1ccc2N(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)C(=O)CCc2c1
BDBM351670 Cn1cnc(n1)-c1c(NC(=O)Cc2cccc3ncccc23)scc1C#N
BDBM351671 FC(F)(F)c1ccc2ccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cc2n1
BDBM351672 Fc1cc(CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c2cccnc2c1
BDBM351673 FC(F)(F)c1cnc2cccc(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)c2c1
BDBM351674 Fc1ccc2ncccc2c1CC(=O)Nc1scc(Br)c1-c1ncn[nH]1
BDBM351675 Fc1cc2cccnc2cc1CC(=O)Nc1scc(Br)c1-c1ncn[nH]1
BDBM351676 Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#C)c1-c1ncn[nH]1
BDBM351677 FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2cn1
BDBM351678 Brc1csc(NC(=O)Cn2c3ccnn3ccc2=O)c1-c1ncn[nH]1
BDBM351679 FC(F)(F)c1cnc2c(CC(=O)Nc3scc(Br)c3-c3nc[nH]n3)cccc2c1
BDBM351680 Cc1cn2c(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)csc2n1
BDBM351681 FC(F)(F)c1ccc2n(CC(=O)Nc3ccsc3-c3cscn3)c(=O)ccc2c1
BDBM351682 O=C(Cc1cccc2ncccc12)Nc1scc(C#N)c1-c1cnccn1
BDBM351683 O=C(Cn1c2ccncc2ccc1=O)Nc1ccsc1-c1cscn1
BDBM351557 O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ncn[nH]1
BDBM351558 Cc1n[nH]c(n1)-c1sccc1NC(=O)Cc1cccc2ccccc12
BDBM351560 COc1ccc(CC(=O)Nc2ccsc2-c2nc(C)n[nH]2)cc1
BDBM351561 COc1ccc(CC(=O)Nc2ccsc2-c2ncn[nH]2)cc1
BDBM351563 COc1ccc(CC(=O)Nc2scc(C)c2-c2nc(C)n[nH]2)cc1
BDBM351684 FC1(F)C(=O)N(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccccc12
BDBM351685 Brc1csc(NC(=O)Cc2cccc3ncsc23)c1-c1ncn[nH]1
BDBM351686 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Cl)c3-c3ncn[nH]3)c(=O)ccc2c1
BDBM351688 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2n1
BDBM351689 Fc1cc2ccc(=O)n(CC(=O)Nc3sccc3-c3ncon3)c2cc1F
BDBM351691 FC(F)(F)c1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccn2n1
BDBM351693 Brc1csc(NC(=O)Cc2cccc3nccn23)c1-c1ncn[nH]1
BDBM351565 COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C2CC2)cc1
BDBM351566 CCc1n[nH]c(n1)-c1sccc1NC(=O)Cc1ccc(OC)cc1
BDBM351567 COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C(C)(C)C)cc1
BDBM351568 COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C2CCCO2)cc1
BDBM351569 COc1ccc(CC(=O)Nc2ccsc2-c2nc(n[nH]2)C(F)(F)F)cc1
BDBM351570 Cc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1ncn[nH]1
BDBM351571 Cc1n[nH]c(n1)-c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc12
BDBM351694 Fc1cc2n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c(=O)ccc2cc1C(F)(F)F
BDBM351696 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-c3cncs3)c(=O)ccc2c1
BDBM351697 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3ccnn3)c(=O)ccc2c1
BDBM351698 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3nnc4ccccc34)c(=O)ccc2c1 |(9.34,.77,;8,,;8.77,-1.33,;7.23,1.33,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;1.33,-6.93,;,-7.7,;-1.41,-7.07,;-2.44,-8.22,;-1.67,-9.55,;-2.29,-10.96,;-2.92,-12.37,;-.16,-9.23,;.98,-10.26,;2.49,-9.94,;3.26,-11.28,;2.23,-12.42,;2.39,-13.95,;1.14,-14.86,;-.26,-14.23,;-.42,-12.7,;.82,-11.79,;1.33,-2.31,;,-3.08,;1.33,-.77,;2.67,,;4,-.77,;5.33,,)|
BDBM351699 Fc1cc2ccncc2cc1CC(=O)Nc1scc(Br)c1-n1nccn1
BDBM351700 FC(F)(F)c1ccc2n(CC(=O)Nc3scc(C#N)c3-n3nccn3)c(=O)ccc2c1
BDBM50264841 COc1cc(ccc1Nc1nc(NC2CCCCC2)c2cc[nH]c2n1)N1CCOCC1
BDBM50271207 [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
BDBM50271212 [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
BDBM50271752 CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271776 CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271775 COc1ccccc1Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C(C)C
BDBM50271731 COc1ccccc1Nc1ncc(Cl)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C
BDBM50271741 CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
BDBM50271728 CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271781 COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O
BDBM50271729 Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271782 COc1ccccc1Nc1nccc(n1)-c1ccc(cc1)C(O)=O
BDBM50271753 COc1ccccc1Nc1nccc(n1)-c1ccc(C(N)=O)c(c1)C(C)C
BDBM50271756 OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1
BDBM50271755 NC(=O)c1ccc(cc1)-c1ccnc(Nc2cc(ccc2F)-c2ccccc2)n1
BDBM50271738 COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(O)=O)c(c1)C(C)C
BDBM50271739 CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271740 Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271742 Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
BDBM50271777 COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271779 Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271748 COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1
BDBM50271780 CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
BDBM50271730 CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271733 Cc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1
BDBM50271734 CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
BDBM50271735 Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
BDBM50271743 COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C
BDBM50271744 Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271745 NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1
BDBM50271750 Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271774 CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
BDBM50271778 Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271751 CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
BDBM50271757 COc1ccc(cc1Nc1nccc(n1)-c1ccc(cc1)C(N)=O)-c1ccccc1
BDBM50463479 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
BDBM50463484 CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
BDBM50465109 CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1c(C)onc1-c1ccccc1 |r,wU:7.10,wD:4.3,(23.5,-20.17,;22.74,-18.84,;23.52,-17.51,;21.21,-18.83,;20.45,-17.49,;21.22,-16.17,;20.46,-14.83,;18.93,-14.84,;18.15,-16.16,;18.91,-17.48,;18.16,-13.5,;16.62,-13.5,;15.85,-12.16,;14.3,-12.16,;13.53,-13.5,;14.31,-14.83,;15.85,-14.84,;13.53,-16.16,;14.01,-17.63,;15.48,-18.11,;12.76,-18.54,;11.51,-17.63,;11.99,-16.16,;11.08,-14.93,;11.72,-13.52,;10.81,-12.27,;9.27,-12.43,;8.65,-13.85,;9.56,-15.09,)|
BDBM50462709 O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM50452728 COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
BDBM50468557 S=C(Nc1ccccc1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(OCc2ccccc2)cc1 |c:11|
BDBM50468565 COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9|
BDBM50468570 Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:8|
BDBM50495024 Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2C)cc1
BDBM50495027 Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cc[nH]n2)cc1
BDBM50495028 Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2C)cc1
BDBM50495031 Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
BDBM50495033 Fc1ccc(cc1)-c1conc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
BDBM50492029 CS(=O)(=O)CCCOc1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.24,wD:26.28,(24.35,-15.74,;23.55,-17.06,;23.51,-18.6,;24.86,-17.86,;22.01,-17.02,;21.21,-18.34,;19.67,-18.3,;18.87,-19.62,;17.33,-19.59,;16.54,-20.9,;14.99,-20.86,;14.26,-19.51,;15.06,-18.2,;14.61,-16.74,;15.88,-15.86,;17.11,-16.79,;16.6,-18.24,;13.16,-16.23,;13.16,-14.69,;11.82,-13.92,;10.49,-14.69,;10.5,-16.22,;9.16,-16.99,;9.16,-18.53,;10.49,-19.31,;10.49,-20.85,;9.16,-21.61,;9.16,-23.15,;7.83,-20.85,;7.83,-19.31,;11.83,-17,)|
BDBM50492030 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCCCC1 |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.74,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.67,;21.22,-42.13,;19.89,-41.35,;18.56,-42.13,;18.56,-43.67,;19.89,-39.81,;21.23,-39.04,;21.22,-37.51,;22.55,-36.74,;23.89,-37.51,;23.89,-39.05,;22.56,-39.82,;25.34,-39.56,;26.61,-38.68,;27.84,-39.61,;27.33,-41.06,;28.06,-42.41,;27.27,-43.72,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,;29.6,-42.44,;30.37,-43.77,;31.91,-43.77,;32.68,-42.44,;31.91,-41.11,;30.37,-41.11,)|
BDBM50492031 CCOC1CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(CC1)S(C)(=O)=O |r,wU:13.17,wD:10.10,(54.24,-52.52,;55.78,-52.68,;56.68,-51.44,;58.21,-51.6,;58.98,-52.93,;60.49,-52.61,;60.65,-51.07,;59.24,-50.45,;61.98,-50.3,;63.32,-51.07,;61.98,-48.76,;63.31,-48,;63.31,-46.46,;61.98,-45.68,;60.66,-46.46,;60.66,-48,;61.98,-44.14,;63.32,-43.37,;63.31,-41.84,;64.64,-41.07,;65.98,-41.84,;65.98,-43.38,;64.65,-44.15,;67.44,-43.89,;68.7,-43.01,;69.93,-43.94,;69.42,-45.39,;70.15,-46.74,;69.36,-48.05,;67.81,-48.01,;67.08,-46.66,;67.88,-45.35,;71.69,-46.77,;72.43,-48.12,;73.96,-48.16,;74.77,-46.85,;74.03,-45.49,;72.49,-45.45,;76.31,-46.89,;77.04,-48.24,;77.66,-46.15,;76.35,-45.35,)|
BDBM50492032 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(OCC3CCS(=O)(=O)C3)cccc12 |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;29.6,-42.44,;30.37,-43.77,;31.91,-43.77,;32.81,-42.52,;34.28,-43,;34.28,-44.54,;34.9,-45.95,;35.81,-44.7,;32.81,-45.02,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,)|
BDBM50495035 CNc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
BDBM50495036 Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2cn[nH]c2)cc1
BDBM50495037 Cc1ncn(n1)-c1ccc(Nc2cc(ccn2)-c2nocc2-c2c(C)n[nH]c2C)cc1 |(19.63,-50.34,;18.1,-50.18,;17.33,-48.85,;15.83,-49.17,;15.67,-50.7,;17.07,-51.33,;14.34,-51.48,;13,-50.71,;11.67,-51.48,;11.67,-53.03,;10.34,-53.8,;9,-53.02,;9.01,-51.48,;7.68,-50.71,;6.34,-51.48,;6.35,-53.03,;7.68,-53.79,;7.69,-49.18,;8.94,-48.27,;8.46,-46.81,;6.92,-46.81,;6.44,-48.27,;4.93,-48.51,;4.22,-49.88,;4.91,-51.25,;2.7,-49.64,;2.46,-48.12,;3.83,-47.42,;4.07,-45.9,;13,-53.8,;14.34,-53.03,)|
BDBM50492033 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCC(C1)S(C)(=O)=O |r,wU:8.11,wD:5.4,(17.22,-45.97,;18.56,-46.73,;17.79,-48.07,;19.33,-48.07,;19.89,-45.97,;19.89,-44.43,;21.22,-43.66,;21.22,-42.12,;19.89,-41.35,;18.56,-42.12,;18.56,-43.66,;19.89,-39.81,;21.22,-39.04,;21.22,-37.51,;22.55,-36.73,;23.89,-37.5,;23.89,-39.04,;22.56,-39.81,;25.34,-39.55,;26.61,-38.67,;27.83,-39.61,;27.33,-41.06,;28.06,-42.4,;27.26,-43.71,;25.72,-43.68,;24.99,-42.33,;25.79,-41.02,;29.6,-42.44,;30.47,-43.71,;31.95,-43.27,;31.99,-41.73,;30.54,-41.22,;33.26,-40.86,;34.65,-41.52,;33.92,-39.47,;32.39,-39.59,)|
BDBM50499634 OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
BDBM435720 COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1
BDBM435721 Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCNS(=O)(=O)c2ccc(F)cc2)n1
BDBM50506712 O\N=C1\c2ccccc2-c2nc3cc(Cl)ccc3nc12
BDBM50506713 OC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
BDBM50506714 O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O
BDBM50506715 Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C
BDBM50506721 CCOC(=O)CO\N=C1/c2ccccc2-c2nc3ccccc3nc12
BDBM50515269 C1c2ccccc2-c2n[nH]c3cccc1c23
BDBM50515270 Cc1c(Cl)cccc1\N=C1\NC(=O)\C(S1)=C1\C(=O)Nc2ccccc12
BDBM50505541 [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
BDBM50505542 [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
BDBM50506717 O\N=C1/c2ccccc2-c2nc3ccccc3nc12
BDBM50506719 O\N=C1\c2ccccc2-c2nc3ncc(Cl)cc3nc12
BDBM50506720 O\N=C1\c2ccccc2-c2nc3ccncc3nc12
BDBM50506722 Cc1cccc2nc3\C(=N/O)c4ccccc4-c3nc12
BDBM50506723 O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)[N+]([O-])=O
BDBM50506724 OCCO\N=C1/c2ccccc2-c2nc3ccccc3nc12
BDBM50506725 O\N=C1\c2ccccc2-c2nc3ncccc3nc12
BDBM50506726 CCOc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
BDBM50515259 Fc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3ccccc3Cl)c2c1
BDBM50515263 O=C(\C=C1/Nc2ccccc2NC1=O)c1cccc2ccccc12
BDBM50515271 Brc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3cccc4ccccc34)c2c1
BDBM444543 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM50512318 C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)|
BDBM50506716 Cc1ccc2nc3\C(=N/O)c4ccccc4-c3nc2c1
BDBM50531922 CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)ncnc12
BDBM50531923 CC(C1CC1)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(NCCN(C)C)nc12
BDBM50532181 COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|
BDBM50506718 O\N=C1/c2ccccc2-n2c1nc1ccccc1c2=O
BDBM50526695 Oc1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc2OCCOc2c1
BDBM50528817 CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50536675 FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50536678 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
BDBM50536679 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
BDBM50536681 Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
BDBM50537742 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50550127 Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
BDBM50550129 COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
BDBM50550131 Clc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
BDBM50550132 COc1ccc2cc(ccc2c1)C(C)C(=O)Nc1cc(C)ccn1
BDBM50550133 COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Nc1cc(C)ccn1 |r|
BDBM50559418 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cc(cs1)C(=O)NC1CNC1
BDBM50559419 Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|
BDBM50559420 Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)NC1COC1
BDBM50559421 Fc1ccc(NC(=O)Nc2cnn(c2)-c2csc(c2)C(=O)NC2COC2)c(Cl)c1
BDBM50559422 Fc1cccc(Cl)c1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1
BDBM50559423 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCOCC1
BDBM50559424 CN1CCC[C@H]1CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
BDBM50559425 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC[C@H]1CCOC1 |r|
BDBM50559426 CN1CC[C@H](CNC(=O)c2cc(cs2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)C1 |r|
BDBM50559427 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NCC1CCNCC1
BDBM50559428 CN1CCC(CNC(=O)c2cc(cs2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)CC1
BDBM50559429 CC1(COC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50559430 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1COC1
BDBM50559431 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCOC1 |r|
BDBM50559432 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CCOCC1
BDBM50559433 CN1CCC(CC1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50559434 CC(C)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
BDBM50559435 CN1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
BDBM50559436 [2H]C([2H])([2H])N1CC[C@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
BDBM50559437 CN1CC[C@H](C1)NC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1 |r|
BDBM50559438 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)N[C@@H]1CCNC1 |r|
BDBM50559439 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CC1
BDBM50559440 CNC(=O)c1cc(cs1)-n1cc(NC(=O)Nc2ccccc2Cl)cn1
BDBM50559441 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1csc(c1)C(=O)NC1CNC1
BDBM50559442 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1ccc(s1)C(=O)NC1CNC1
BDBM50559443 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1nc(cs1)C(=O)NC1CNC1
BDBM50565131 O=C(\C=C1/Nc2cc(ccc2NC1=O)C#N)c1cccc2ccccc12
BDBM50577624 Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1CCOCC1
BDBM50577625 [2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|
BDBM50577626 CC(=O)N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12 |r|
BDBM50577627 CC(C)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
BDBM50577629 COCCNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
BDBM50578353 C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC2(C)CC2)ncc1C(N)=O |r|
BDBM50578354 C[C@@H]1CC[C@H](C[C@H]1O)Nc1nc(NC(C)(C)C)ncc1C(N)=O |r|
BDBM50578356 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H]2O)n1 |r,wU:5.8,18.18,wD:2.1,23.25,(63.02,-38.91,;64.36,-38.15,;65.69,-38.92,;65.68,-40.46,;67.02,-41.24,;68.34,-40.47,;68.35,-38.93,;67.03,-38.16,;69.68,-41.24,;71.01,-40.47,;71.01,-38.93,;72.34,-38.16,;73.68,-38.92,;75.01,-38.14,;76.35,-38.91,;75,-36.6,;73.69,-40.46,;75.02,-41.23,;75.03,-42.77,;73.7,-43.54,;73.7,-45.07,;75.04,-45.84,;76.37,-45.07,;76.37,-43.52,;77.7,-42.75,;72.35,-41.24,)|
BDBM50578357 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)|
BDBM50578358 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)|
BDBM50578359 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NCCC(C)(C)O)n1 |r,wU:5.8,wD:2.1,(41.91,-4.37,;43.24,-3.6,;44.57,-4.38,;44.57,-5.92,;45.9,-6.7,;47.23,-5.93,;47.24,-4.39,;45.91,-3.62,;48.56,-6.7,;49.9,-5.93,;49.9,-4.39,;51.23,-3.62,;52.56,-4.38,;53.89,-3.6,;55.23,-4.37,;53.88,-2.06,;52.57,-5.92,;53.91,-6.69,;53.92,-8.23,;55.25,-8.99,;55.26,-10.53,;56.6,-11.3,;53.93,-11.31,;55.24,-12.06,;51.23,-6.7,)|
BDBM50578360 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)|
BDBM50578361 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)|
BDBM50578362 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC(F)(F)C2)n1 |r,wU:5.8,18.18,wD:2.1,(20.63,-18.13,;21.97,-17.36,;23.3,-18.14,;23.3,-19.68,;24.63,-20.46,;25.96,-19.69,;25.97,-18.15,;24.64,-17.38,;27.29,-20.46,;28.62,-19.69,;28.63,-18.15,;29.96,-17.37,;31.29,-18.14,;32.62,-17.36,;33.96,-18.12,;32.61,-15.82,;31.3,-19.68,;32.64,-20.45,;32.64,-21.99,;31.31,-22.75,;31.32,-24.29,;32.65,-25.06,;33.98,-24.28,;35.52,-24.28,;34.75,-25.62,;33.98,-22.74,;29.96,-20.46,)|
BDBM50578363 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)(C)C)n1 |r,wU:5.8,wD:2.1,(41.72,-18.67,;43.06,-17.9,;44.39,-18.68,;44.39,-20.22,;45.72,-21,;47.05,-20.23,;47.05,-18.69,;45.73,-17.92,;48.38,-21,;49.71,-20.23,;49.72,-18.68,;51.04,-17.91,;52.38,-18.68,;53.71,-17.9,;55.05,-18.66,;53.7,-16.36,;52.39,-20.22,;53.73,-20.98,;53.73,-22.52,;52.4,-23.3,;55.07,-23.29,;53.72,-24.06,;51.05,-21,)|
BDBM50578364 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1 |r,wU:5.8,wD:2.1,(64.75,-19.37,;66.09,-18.6,;67.42,-19.38,;67.42,-20.92,;68.75,-21.7,;70.08,-20.93,;70.09,-19.39,;68.76,-18.62,;71.41,-21.7,;72.75,-20.93,;72.75,-19.38,;74.08,-18.61,;75.41,-19.38,;76.74,-18.6,;78.08,-19.36,;76.73,-17.06,;75.42,-20.92,;76.76,-21.68,;76.76,-23.22,;75.68,-24.31,;76.78,-25.4,;77.86,-24.3,;76.29,-24.27,;74.08,-21.7,)|
BDBM50578365 NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)|
BDBM50578366 NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)|
BDBM50578367 NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)|
BDBM50578368 NC(=O)c1cnc(NC2CCCCC2)nc1N[C@@H]1CCC[C@H](O)C1 |r|
BDBM50578369 NC(=O)c1cnc(NC2CCC(F)(F)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r|
BDBM50578342 COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC
BDBM50578344 CC(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:8.7,wD:11.11,(72.97,-12.27,;71.63,-11.52,;70.3,-12.3,;71.63,-9.98,;70.29,-9.21,;68.95,-9.99,;67.61,-9.22,;66.28,-9.99,;64.95,-9.22,;63.62,-9.99,;62.29,-9.21,;62.29,-7.67,;60.96,-6.89,;63.63,-6.91,;64.96,-7.68,;67.62,-7.68,;68.94,-6.91,;70.28,-7.67,;71.61,-6.89,;72.95,-7.66,;71.6,-5.35,)|
BDBM50578345 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC(C)C)n1 |r,wU:5.8,wD:2.1,(3.78,-21.45,;5.12,-20.68,;6.45,-21.46,;6.44,-23,;7.78,-23.78,;9.1,-23.01,;9.11,-21.47,;7.79,-20.7,;10.44,-23.78,;11.77,-23.01,;11.77,-21.47,;13.1,-20.7,;14.44,-21.46,;15.77,-20.68,;17.1,-21.45,;15.76,-19.14,;14.45,-23,;15.78,-23.77,;15.79,-25.31,;17.13,-26.06,;14.46,-26.09,;13.1,-23.78,)|
BDBM50578346 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)|
BDBM50578347 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)|
BDBM50578348 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,22.23,wD:2.1,18.18,(60.6,-22.65,;61.93,-21.88,;63.26,-22.66,;63.26,-24.2,;64.59,-24.98,;65.92,-24.21,;65.93,-22.67,;64.6,-21.9,;67.25,-24.98,;68.59,-24.21,;68.59,-22.66,;69.92,-21.89,;71.25,-22.66,;72.58,-21.88,;73.92,-22.64,;72.57,-20.34,;71.26,-24.2,;72.6,-24.96,;72.6,-26.5,;71.28,-27.27,;71.28,-28.81,;72.61,-29.58,;73.95,-28.8,;75.28,-29.57,;73.95,-27.26,;69.92,-24.98,)|
BDBM50578349 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,wD:2.1,18.18,22.23,(2.15,-36.93,;3.48,-36.16,;4.81,-36.94,;4.81,-38.48,;6.14,-39.26,;7.47,-38.49,;7.48,-36.95,;6.15,-36.18,;8.8,-39.26,;10.14,-38.49,;10.14,-36.94,;11.47,-36.17,;12.8,-36.94,;14.13,-36.16,;15.47,-36.92,;14.13,-34.62,;12.81,-38.48,;14.15,-39.24,;14.16,-40.78,;12.83,-41.55,;12.83,-43.09,;14.16,-43.86,;15.5,-43.08,;16.83,-43.85,;15.5,-41.54,;11.47,-39.26,)|
BDBM50578350 CC(C)(C)Nc1nc(N[C@H]2CC[C@H](O)CC2)ncc1C(N)=O |r,wU:9.8,wD:12.12,(14.02,-12,;15.35,-11.23,;16.69,-11.99,;15.34,-12.76,;15.34,-9.69,;14,-8.93,;12.66,-9.7,;11.33,-8.93,;9.99,-9.7,;8.66,-8.93,;7.33,-9.7,;6,-8.93,;6,-7.38,;4.67,-6.61,;7.34,-6.62,;8.67,-7.39,;11.33,-7.39,;12.66,-6.62,;13.99,-7.38,;15.32,-6.61,;16.66,-7.37,;15.32,-5.07,)|
BDBM50578351 NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2 |r,wU:8.7,wD:11.11,(35.38,-6.44,;34.05,-5.67,;34.04,-4.13,;32.72,-6.45,;31.38,-5.69,;30.05,-6.46,;30.05,-8,;28.72,-8.77,;27.38,-8,;26.06,-8.77,;24.72,-7.99,;24.73,-6.45,;23.4,-5.67,;26.07,-5.69,;27.39,-6.46,;31.38,-8.77,;32.73,-7.99,;34.06,-8.76,;34.07,-10.3,;32.99,-11.38,;34.08,-12.47,;35.17,-11.38,;33.65,-11.15,)|
BDBM50578352 NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2 |r|
BDBM50578343 NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)|
BDBM50578355 CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](C2)OC)n1 |r,wU:5.8,18.18,22.25,wD:2.1,(43.08,-37.57,;44.42,-36.81,;45.75,-37.58,;45.74,-39.12,;47.08,-39.9,;48.4,-39.13,;48.41,-37.59,;47.09,-36.82,;49.74,-39.9,;51.07,-39.13,;51.07,-37.59,;52.4,-36.82,;53.74,-37.58,;55.07,-36.81,;56.4,-37.57,;55.06,-35.27,;53.75,-39.12,;55.08,-39.89,;55.09,-41.43,;53.76,-42.2,;53.76,-43.73,;55.1,-44.5,;56.43,-43.73,;56.43,-42.18,;57.76,-44.5,;59.1,-43.73,;52.4,-39.9,)|
BDBM50577628 FC(F)CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
BDBM50577620 Clc1ccccc1Nc1cc2cnn(-c3csc(c3)C(=O)NC3COC3)c2cn1
BDBM50577621 Clc1ccccc1Nc1cnc2n(ncc2c1)-c1csc(c1)C(=O)NC1COC1
BDBM50577622 Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1COC1
BDBM50577623 Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)N[C@H]1CCOC1 |r|
BDBM50577630 Fc1cc2n(ncc2cc1Nc1ccccc1Cl)-c1csc(c1)C(=O)NC1CC1
BDBM50577631 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
BDBM50577632 [2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|
BDBM50577633 CC(C)N1CC[C@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)ccc12 |r|
BDBM50577634 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(OC)cc12
BDBM50577635 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(F)cc12
BDBM50577636 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3OC)c(F)cc12
BDBM50577637 CNC(=O)c1cc(cs1)-n1ncc2cc(Oc3ccccc3Cl)ccc12
BDBM50577638 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)cnc12
BDBM50578370 CC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r|
BDBM50578371 NC(=O)c1cnc(NC23CC(C2)C3)nc1N[C@@H]1CCC[C@H](O)C1 |r|
BDBM50577639 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)ncc12
BDBM50577640 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)cnc12
BDBM50577641 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3c(F)cccc3Cl)c(C)nc12
BDBM50577642 CNC(=O)c1cc(cs1)-n1ncc2cc(Nc3cccc(OC)c3Cl)c(C)nc12
BDBM50577643 Cc1nc2n(ncc2cc1Nc1cccc(F)c1Cl)-c1csc(c1)C(=O)NC1COC1
BDBM50577644 Cc1nc2n(ncc2cc1Nc1ccc(F)cc1Cl)-c1csc(c1)C(=O)NC1COC1
BDBM50577645 Cc1nc2n(ncc2cc1Nc1cc(F)ccc1Cl)-c1csc(c1)C(=O)NC1COC1
BDBM50567686 NS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
BDBM50567687 Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
BDBM50577646 Cc1nc2n(ncc2cc1Nc1c(F)cccc1Cl)-c1csc(c1)C(=O)NC1COC1
BDBM50585081 Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
BDBM50585046 CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
BDBM50582077 CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
BDBM50585092 CN1CCN(CCNc2nccc(n2)-c2c(nc3sccn23)-c2cccc(O)c2)S1(=O)=O
BDBM50585069 COc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1
BDBM50588525 COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1
BDBM50590873 FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
BDBM50592745 COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
BDBM50592452 Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1
BDBM50599933 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
BDBM50599934 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
BDBM50599925 Oc1cc(cc(O)c1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
BDBM50599926 OCc1cc(cc(O)c1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
BDBM50601418 N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
CHEMBL5281283 C[C@@H]1CCN(C[C@@H]1n1ccc2cnc3[nH]ccc3c12)C(=O)CC#N |r|
CHEMBL5270581 O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
CHEMBL5288565 Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
CHEMBL5278465 Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1