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727 SMILES Strings for Mitogen-activated protein kinase 9

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
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|
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|
BDBM15240 C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |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
BDBM15459 C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
BDBM15754 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
BDBM15909 CCOc1nc(cc(N)c1C#N)C(=O)NCc1cc(OC)ccc1OC
BDBM15911 CCOc1nc(cc(N)c1C#N)C(=O)NC
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
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
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
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
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
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
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
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
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
BDBM15868 Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
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
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|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24466 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
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
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26057 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31825 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
BDBM31828 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C
BDBM31831 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
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
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
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
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
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
BDBM104964 CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@H](CS(C)(=O)=O)CC2)n1 |r,wU:19.20,wD:22.24,(6.18,-.14,;5.09,-1.23,;4,-2.31,;5.49,-2.71,;3.61,-.83,;2.46,-1.86,;1,-1.38,;.68,.12,;1.82,1.15,;1.82,2.69,;3.28,3.17,;4.19,1.93,;3.28,.68,;.49,3.47,;.49,5,;-.85,5.78,;-2.18,5,;-2.18,3.47,;-3.51,2.69,;-3.51,1.15,;-2.18,.38,;-2.18,-1.15,;-3.51,-1.93,;-3.51,-3.47,;-4.85,-4.23,;-4.85,-5.78,;-6.18,-3.47,;-3.51,-5,;-4.85,-1.15,;-4.85,.38,;-.85,2.69,)|
BDBM104965 CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:19.20,wD:22.27,(5.51,.25,;4.43,-.84,;3.34,-1.93,;4.82,-2.33,;2.94,-.44,;1.79,-1.47,;.33,-1,;.01,.51,;1.15,1.54,;1.15,3.08,;2.62,3.56,;3.52,2.31,;2.62,1.06,;-.18,3.85,;-.18,5.39,;-1.51,6.16,;-2.85,5.39,;-2.85,3.85,;-4.18,3.08,;-4.18,1.54,;-2.85,.77,;-2.85,-.77,;-4.18,-1.54,;-5.51,-.77,;-5.51,.77,;-4.18,-3.08,;-5.51,-3.85,;-2.85,-3.85,;-2.83,-5.39,;-1.5,-6.16,;-.16,-5.39,;1.17,-6.16,;-.16,-3.85,;-1.5,-3.08,;-1.51,3.08,)|
BDBM104966 CC(C)(O)c1cccn2c(cnc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:19.20,wD:22.27,(6.18,-.14,;5.09,-1.23,;4,-2.31,;5.49,-2.71,;3.61,-.83,;2.46,-1.86,;1,-1.38,;.68,.12,;1.82,1.15,;1.82,2.69,;3.28,3.17,;4.19,1.93,;3.28,.68,;.49,3.47,;.49,5,;-.85,5.78,;-2.18,5,;-2.18,3.47,;-3.51,2.69,;-3.51,1.15,;-2.18,.38,;-2.18,-1.15,;-3.51,-1.93,;-4.85,-1.15,;-4.85,.38,;-3.51,-3.47,;-4.85,-4.23,;-4.85,-5.78,;-6.18,-3.47,;-3.51,-5,;-.85,2.69,)|
BDBM104967 CN(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-c1cnc2c(cccn12)C(C)(C)O |r,wU:10.13,wD:7.6,(-6.18,-6.16,;-4.85,-5.39,;-3.51,-6.16,;-4.85,-3.85,;-6.18,-3.08,;-3.51,-4.62,;-3.51,-3.08,;-3.51,-1.54,;-2.18,-.77,;-2.18,.77,;-3.51,1.54,;-4.85,.77,;-4.85,-.77,;-3.51,3.08,;-2.18,3.85,;-2.18,5.39,;-.85,6.16,;.49,5.39,;.49,3.85,;-.85,3.08,;1.82,3.08,;3.28,3.56,;4.19,2.31,;3.28,1.06,;3.61,-.44,;2.46,-1.47,;1,-1,;.68,.51,;1.82,1.54,;5.09,-.84,;6.18,.25,;4,-1.93,;5.49,-2.33,)|
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|
BDBM50053410 Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
BDBM103302 O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
BDBM50071867 CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50071873 CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM50077951 COc1ccc(CNc2nccc(n2)-c2nc([nH]c2-c2ccccc2)-c2ccccc2)cc1
BDBM50077953 C[C@@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
BDBM50077954 c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncn1
BDBM50077957 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCCCC1
BDBM50077958 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCNCC1
BDBM50077962 Nc1nccc(n1)-c1nc([nH]c1-c1ccccc1)-c1ccccc1
BDBM50077963 c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
BDBM50077965 Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
BDBM50077969 C[C@@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
BDBM50077970 COc1ccc(CNc2nccc(n2)-c2nc([nH]c2-c2cccc(c2)C(F)(F)F)C2CCNCC2)cc1
BDBM50077975 C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
BDBM50077977 CNc1nccc(n1)-c1nc([nH]c1-c1ccccc1)-c1ccccc1
BDBM50077979 Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCCNC1
BDBM50089126 CN1CCC(O)(CC1)c1nc(c(o1)-c1ccncc1)-c1ccc(F)cc1
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
BDBM50110104 C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCOCC1)c1ccccc1
BDBM50115209 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
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
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
BDBM50148708 COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
BDBM50148709 COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
BDBM50158551 Clc1ccc(cc1)C(=O)NCc1ccc(s1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50169959 N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
BDBM50175998 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12)C#CC(C)(C)O
BDBM50176000 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12)C#CC(C)(C)N
BDBM50176007 COc1ccc(cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12)C#CC(C)(C)N
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
BDBM50194858 CCOc1nc(cc(N)c1\C=C\C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O
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
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
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
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
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|
BDBM50195777 Fc1ccc(Nc2ccc3n(CC4CCCCC4)c(=O)[nH]c3c2)c(F)c1
BDBM50204832 Fc1ccc(Br)cc1-c1nc(Nc2ccncc2C(=O)NCCCN2CCCC2=O)c2nccnc2n1
BDBM50206421 CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
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
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
BDBM50215481 COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
BDBM50215483 COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
BDBM50215054 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
BDBM50218682 COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50240029 O=c1cc(OCc2ccccc2)ccn1Cc1ccccc1
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|
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|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
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
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
BDBM50271602 C1CC(CCN1)Nc1cccc(n1)-c1n[nH]c2ccccc12
BDBM50277623 COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
BDBM50296636 Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50303646 Fc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)N2CCOCC2)n1)N1CCOCC1
BDBM50303587 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
BDBM50303590 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
BDBM50303591 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ccnc3ccc(N)cc23)cc1)C(C)(C)C
BDBM50303597 Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r|
BDBM50297455 Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
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
BDBM50310952 Ic1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310953 Fc1ccc(Cn2ccc(OCc3ccc(Cl)cc3)c(Br)c2=O)cc1
BDBM50310954 Fc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)cc1
BDBM50310955 Fc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2Br)c(F)c1
BDBM50310956 C=Cc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310957 CCc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310958 Cc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50310959 Fc1cccc(Cn2ccc(OCc3ccccc3)c(c2=O)C(F)(F)F)c1
BDBM50310960 Fc1ccc(COc2ccn(Cc3cccc(F)c3)c(=O)c2C#N)c(F)c1
BDBM50310961 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C#N
BDBM50310962 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(c1)C#N
BDBM50310963 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(cc1)C#N
BDBM50310964 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1C(N)=O
BDBM50310965 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(c1)C(N)=O
BDBM50310966 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(cc1)C(N)=O
BDBM50310967 CN(C)C(=O)c1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
BDBM50310968 CN(C)C(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
BDBM50310969 CN(C)C(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)cc1
BDBM50310970 CN=CC(=O)c1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1 |w:1.0|
BDBM50310971 CN=CC(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1 |w:1.0|
BDBM50310972 Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccccn1
BDBM50310973 Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1cccnc1
BDBM50310974 Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccncc1
BDBM50310975 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccnc1
BDBM50310976 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccncc1
BDBM50310977 Cc1cnc(cn1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50310978 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1
BDBM50310979 Cc1ncc(cn1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50310980 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccccc1CN
BDBM50310981 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CN)c1
BDBM50310982 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CN)cc1
BDBM50310983 CN(C)Cc1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
BDBM50310984 CN(C)Cc1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cc1
BDBM50310985 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
BDBM50310986 Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
BDBM50310987 Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CNC(=O)CO)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
BDBM50318033 Brc1c(OCc2ccccc2)cnn(-c2ccccc2)c1=O
BDBM50318034 Fc1ccc(COc2cnn(-c3ccccc3)c(=O)c2Br)c(F)c1
BDBM50318035 Clc1cccc(Cl)c1-n1ncc(OCc2ccccc2)c(Br)c1=O |(1.93,-16.96,;1.94,-18.5,;3.27,-19.26,;3.28,-20.81,;1.95,-21.58,;.61,-20.82,;-.72,-21.59,;.61,-19.27,;-.72,-18.51,;-.72,-16.96,;-2.06,-16.19,;-3.39,-16.96,;-4.72,-16.19,;-6.05,-16.96,;-7.39,-16.19,;-7.38,-14.65,;-8.71,-13.88,;-10.05,-14.65,;-10.04,-16.2,;-8.71,-16.96,;-3.39,-18.51,;-4.72,-19.28,;-2.05,-19.28,;-2.05,-20.82,)|
BDBM50318036 Clc1cccc(Cl)c1-n1ncc(NCc2ccccc2)c(Br)c1=O |(17.67,-16.85,;17.67,-18.39,;19.01,-19.15,;19.01,-20.69,;17.68,-21.47,;16.35,-20.7,;15.01,-21.47,;16.35,-19.16,;15.02,-18.39,;15.01,-16.84,;13.68,-16.08,;12.35,-16.85,;11.01,-16.08,;9.68,-16.85,;8.35,-16.08,;8.35,-14.54,;7.02,-13.77,;5.69,-14.54,;5.69,-16.09,;7.02,-16.85,;12.35,-18.39,;11.01,-19.16,;13.68,-19.16,;13.68,-20.7,)|
BDBM50318037 Clc1cccc(Cl)c1-n1ncc(OCCc2ccccc2)c(Br)c1=O |(33.87,-16.67,;33.88,-18.21,;35.22,-18.97,;35.22,-20.52,;33.89,-21.29,;32.56,-20.52,;31.22,-21.29,;32.56,-18.98,;31.23,-18.21,;31.22,-16.66,;29.89,-15.9,;28.56,-16.67,;27.22,-15.9,;25.89,-16.67,;24.56,-15.9,;23.22,-16.67,;21.89,-15.9,;20.56,-16.67,;20.56,-18.21,;21.9,-18.98,;23.23,-18.2,;28.56,-18.21,;27.22,-18.98,;29.89,-18.98,;29.89,-20.52,)|
BDBM50318038 Clc1cccc(Cl)c1-n1ncc(NCCc2ccccc2)c(Br)c1=O |(2.65,-25.17,;2.66,-26.71,;4,-27.47,;4,-29.02,;2.67,-29.79,;1.34,-29.02,;0,-29.79,;1.34,-27.48,;.01,-26.71,;0,-25.16,;-1.33,-24.4,;-2.66,-25.17,;-4,-24.4,;-5.33,-25.17,;-6.66,-24.4,;-8,-25.17,;-9.33,-24.4,;-10.66,-25.17,;-10.66,-26.71,;-9.32,-27.48,;-7.99,-26.7,;-2.66,-26.71,;-4,-27.48,;-1.33,-27.48,;-1.33,-29.02,)|
BDBM50318039 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)cc1 |(4.96,-22.83,;6.3,-23.59,;7.63,-22.82,;8.97,-23.59,;8.96,-25.13,;10.29,-25.9,;11.63,-25.13,;12.96,-25.9,;14.29,-25.13,;15.62,-25.9,;15.63,-27.45,;16.96,-28.21,;18.28,-27.44,;18.28,-25.9,;19.62,-28.2,;19.62,-29.75,;18.29,-30.52,;16.96,-29.75,;15.62,-30.52,;14.29,-28.22,;14.29,-29.76,;12.96,-27.45,;11.62,-28.21,;7.64,-25.9,;6.3,-25.14,)|
BDBM50318040 Fc1ccc(CNc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)cc1 |(20.13,-21.95,;21.47,-22.72,;22.8,-21.95,;24.13,-22.72,;24.13,-24.26,;25.46,-25.03,;26.8,-24.26,;28.13,-25.03,;29.46,-24.26,;30.79,-25.02,;30.8,-26.57,;32.13,-27.34,;33.45,-26.57,;33.45,-25.03,;34.79,-27.33,;34.79,-28.88,;33.46,-29.65,;32.13,-28.88,;30.79,-29.65,;29.46,-27.34,;29.46,-28.88,;28.13,-26.57,;26.79,-27.34,;22.81,-25.03,;21.47,-24.27,)|
BDBM50318041 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1 |(-10.18,-31.86,;-8.85,-32.63,;-7.51,-31.86,;-6.18,-32.63,;-6.19,-34.17,;-4.86,-34.94,;-3.52,-34.17,;-2.19,-34.94,;-.86,-34.17,;.48,-34.93,;.48,-36.48,;1.81,-37.25,;3.14,-36.47,;3.13,-34.93,;4.47,-37.24,;4.48,-38.78,;3.14,-39.56,;1.81,-38.79,;.48,-39.56,;-.86,-37.25,;-.86,-38.79,;-2.19,-36.48,;-3.52,-37.25,;-7.51,-34.94,;-7.51,-36.48,;-8.84,-34.17,)|
BDBM50318042 Fc1cc(F)c(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1 |(6.2,-32.89,;7.54,-33.66,;7.54,-35.2,;8.88,-35.97,;8.88,-37.51,;10.2,-35.2,;11.53,-35.97,;12.87,-35.19,;14.2,-35.96,;15.53,-35.19,;16.86,-35.96,;16.87,-37.51,;18.2,-38.27,;19.52,-37.5,;19.52,-35.96,;20.86,-38.26,;20.86,-39.81,;19.53,-40.58,;18.2,-39.82,;16.86,-40.59,;15.53,-38.28,;15.53,-39.82,;14.2,-37.51,;12.86,-38.28,;10.2,-33.65,;11.54,-32.89,;8.87,-32.88,)|
BDBM50318043 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)cc1F |(22.41,-32.44,;23.74,-33.21,;25.08,-32.44,;26.41,-33.21,;26.41,-34.75,;27.74,-35.52,;29.07,-34.75,;30.41,-35.52,;31.73,-34.75,;33.07,-35.51,;33.08,-37.06,;34.4,-37.83,;35.73,-37.06,;35.72,-35.52,;37.06,-37.82,;37.07,-39.37,;35.74,-40.14,;34.4,-39.37,;33.07,-40.14,;31.74,-37.83,;31.74,-39.37,;30.4,-37.06,;29.07,-37.83,;25.08,-35.52,;23.75,-34.76,;22.42,-35.53,)|
BDBM50318044 Fc1ccc(COc2cnn(-c3c(Cl)cccc3Cl)c(=O)c2Br)c(F)c1F |(-10.45,-42.22,;-9.12,-42.99,;-7.78,-42.22,;-6.45,-42.99,;-6.45,-44.53,;-5.12,-45.3,;-3.79,-44.53,;-2.45,-45.3,;-1.12,-44.53,;.21,-45.29,;.22,-46.84,;1.55,-47.61,;2.87,-46.84,;2.86,-45.3,;4.21,-47.6,;4.21,-49.15,;2.88,-49.92,;1.55,-49.15,;.21,-49.92,;-1.12,-47.61,;-1.12,-49.15,;-2.45,-46.84,;-3.79,-47.61,;-7.78,-45.3,;-7.77,-46.84,;-9.11,-44.54,;-10.44,-45.31,)|
BDBM50318045 Fc1cc(Cl)ccc1COc1cnn(-c2c(Cl)cccc2Cl)c(=O)c1Br |(10.55,-47.08,;10.55,-45.54,;9.21,-44.78,;9.21,-43.23,;7.87,-42.46,;10.54,-42.46,;11.88,-43.23,;11.87,-44.77,;13.2,-45.54,;14.54,-44.77,;15.87,-45.54,;17.2,-44.77,;18.54,-45.53,;18.54,-47.08,;19.87,-47.85,;21.2,-47.08,;21.19,-45.54,;22.53,-47.84,;22.54,-49.39,;21.2,-50.16,;19.87,-49.39,;18.54,-50.16,;17.2,-47.85,;17.2,-49.39,;15.87,-47.08,;14.54,-47.85,)|
BDBM50318046 Fc1ccc(COc2cnn(-c3c(Cl)cncc3Cl)c(=O)c2Br)c(F)c1 |(22.4,-41.65,;23.74,-42.42,;25.07,-41.65,;26.41,-42.42,;26.4,-43.96,;27.73,-44.73,;29.07,-43.96,;30.4,-44.73,;31.73,-43.96,;33.06,-44.72,;33.07,-46.27,;34.4,-47.04,;35.72,-46.27,;35.72,-44.73,;37.06,-47.03,;37.07,-48.58,;35.73,-49.35,;34.4,-48.58,;33.07,-49.35,;31.73,-47.05,;31.73,-48.59,;30.4,-46.27,;29.06,-47.04,;25.08,-44.73,;25.08,-46.27,;23.74,-43.97,)|
BDBM50318047 Fc1ccc(COc2cnn(-c3c(F)cccc3F)c(=O)c2Br)c(F)c1 |(-9.8,6.09,;-8.47,5.32,;-7.13,6.09,;-5.8,5.32,;-5.81,3.78,;-4.47,3.01,;-3.14,3.78,;-1.81,3.01,;-.48,3.78,;.86,3.02,;.86,1.47,;2.19,.7,;3.52,1.47,;3.51,3.01,;4.85,.71,;4.86,-.84,;3.52,-1.61,;2.19,-.84,;.86,-1.61,;-.47,.69,;-.48,-.85,;-1.81,1.47,;-3.14,.7,;-7.13,3.01,;-7.12,1.47,;-8.46,3.77,)|
BDBM50318048 COC(=O)c1ccc(C)c(c1)-n1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50318049 CNC(=O)c1ccc(C)c(c1)-n1ncc(OCc2ccc(F)cc2F)c(Br)c1=O
BDBM50318050 Brc1c(OCc2ccccc2)ccn(Cc2ccccc2)c1=O
BDBM50318051 Brc1c(OCc2ccccc2)cnn(Cc2ccccc2)c1=O
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326198 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
BDBM50326206 CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
BDBM50326208 CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
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|
BDBM50314071 NC(=O)N(c1ccc(C(N)=O)c(n1)-c1ccc(F)cc1F)c1c(F)cccc1F
BDBM50314073 CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
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,)|
BDBM50314070 Cn1c2nc(NC(CCO)CCO)ncc2cc(Oc2ccc(F)cc2F)c1=O
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
BDBM50332092 COCCN(C)C(=O)c1sccc1NC(=O)Cc1ccccc1
BDBM50332093 Cc1nccnc1NC(=O)Cc1cccc2ccccc12
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
BDBM50342301 NC(=O)c1ccsc1NC(=O)Cc1csc2ccccc12
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|
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
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
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50346919 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(C)c1=O)C(=O)NCCO
BDBM50346920 CCc1c(OCc2ccc(F)cc2F)ncn(-c2cc(ccc2C)C(=O)NCCO)c1=O
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
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,)|
BDBM50348495 COCCOc1cncc(c1)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
BDBM50348524 O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
BDBM50348525 COc1ccc(cc1F)-c1cc2c3[nH]c4CCC(=O)c4c3ccc2cn1
BDBM50348526 O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
BDBM50348527 O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
BDBM50348528 O=C1NCCCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
BDBM50348529 COCCOc1cncc(c1)-c1cc2c3[nH]c4CCCNC(=O)c4c3ccc2cn1
BDBM50348533 COc1ccc(cc1)-c1cc2c3[nH]c4CN(C)NC(=O)c4c3ccc2cn1
BDBM50348534 O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
BDBM50348535 O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
BDBM50348536 O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
BDBM50348537 Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1
BDBM50348539 Fc1ccccc1-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
BDBM50348541 O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
BDBM50348542 O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12
BDBM50348543 COCCOc1cncc(c1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1
BDBM50348545 O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12
BDBM50348546 O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12
BDBM50348547 COc1ccc(cc1F)-c1cc2c3[nH]c4CCNC(=O)c4c3ccc2cn1
BDBM50348548 O=C1NCCc2[nH]c3c(ccc4cnc(cc34)-c3cccc(OCCN4CCOCC4)c3)c12
BDBM50348549 O=C1NCCCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12
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|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
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,)|
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,)|
BDBM50373215 COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O
BDBM50374608 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 |(-5.07,-9.29,;-3.87,-8.32,;-4.12,-6.8,;-2.92,-5.83,;-1.48,-6.38,;-1.24,-7.9,;-2.43,-8.87,;-.29,-5.41,;1.15,-5.96,;2.35,-4.99,;2.11,-3.47,;3.3,-2.5,;3.06,-.98,;4.25,-.01,;4.01,1.51,;2.57,2.06,;1.38,1.09,;1.62,-.43,;-.06,1.64,;-.3,3.16,;-1.82,3.4,;-2.52,2.03,;-4.01,1.63,;-4.41,.14,;-3.32,-.95,;-1.83,-.55,;-1.43,.94,;.89,4.13,;.65,5.65,;-.79,6.2,;-1.98,5.23,;-1.03,7.72,;.17,8.7,;1.6,8.15,;1.85,6.62,;3.28,6.07,;2.33,3.58,;3.53,4.55,;.67,-2.92,;-.53,-3.89,)|
BDBM50383191 COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
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
BDBM50392857 [O-][N+](=O)c1cnc(NC(=O)c2cccc(c2)[N+]([O-])=O)s1
BDBM50392858 [O-][N+](=O)c1ccc(\C=N\N2CC(CN3CCOCC3)OC2=O)o1
BDBM50392859 Cc1ccc(cc1)N=Nc1c(N)nn2cc3CCCCc3nc12 |w:8.9|
BDBM50392860 COc1ccc(cc1)N=Nc1c(N)nn2cc3CCCc3nc12 |w:9.10|
BDBM50392849 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1
BDBM50392850 C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc2OCOc2c1)c1ccc2OCOc2c1 |r|
BDBM50392851 Nc1[nH]n2c(nc(N)c3c(N)nnc23)c1NNc1ccc(Br)cc1
BDBM50392852 COc1ccc(cc1)-c1nnc2sc3c(ccc4ccccc34)n12
BDBM50392853 OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1
BDBM50392854 C[C@H]1[C@@H](C)[C@@H](O[C@H]1c1ccc2OCOc2c1)c1ccc2OCOc2c1
BDBM50392855 NC(=S)NN=C1NC(=O)C(S1)=Cc1ccc2OCOc2c1 |w:4.3,11.12|
BDBM50392856 COc1cccc(C2C(C)C(NCCO)Oc3cc4OCOc4cc23)c1OC
BDBM50392982 COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
BDBM50395262 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)|
BDBM50396845 Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
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
BDBM50402829 COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
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
BDBM50402833 COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-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|
BDBM50411406 O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
BDBM50411415 O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
BDBM50431812 [O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|
BDBM50432394 Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCNC2)c1 |r|
BDBM50433916 O=C1c2ccccc2-c2[nH]nc3cccc1c23
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|
BDBM50024294 Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
BDBM50046045 Nc1onc(c1-c1ccncn1)-c1ccc(F)cc1
BDBM50046049 Fc1ccc(cc1)-c1noc(NC(=O)Cc2c(F)cccc2Cl)c1-c1ccncn1
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
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
BDBM50059658 CNC(=O)c1ccccc1Nc1cc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
BDBM50059659 COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
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,)|
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
BDBM50032750 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)NCC1CCNCC1
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
BDBM50032809 Cc1ccc(NC(=O)c2ccc(F)c(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032818 CN(C)CCn1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
BDBM50032821 Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
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,)|
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BDBM50089228 CCNC(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
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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,)|
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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,)|
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BDBM50089236 CC(C)n1c2nc(NC3CCOCC3)ncc2ccc1=O
BDBM50089229 CC(C)C(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1
BDBM50128294 N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
BDBM241235 COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1 |r|
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|