BindingDB logo
myBDB logout

1689 SMILES Strings for Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)

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|
BDBM128257 CNc1nc(Nc2cc3OC(C)(C)C(=O)N(C)c3cc2OC)ncc1C(F)(F)F
BDBM128258 CNc1nc(Nc2cc3oc(=O)[nH]c3cc2Cl)ncc1Cl
BDBM128260 CNc1nc(Nc2cc3CCN(C)C(=O)c3cc2OC)ncc1C(F)(F)F
BDBM128261 CNc1nc(Nc2cc3CCN(C)C(=O)c3cc2OC)ncc1C#N
BDBM128262 CNc1nc(Nc2cc3cnn(C)c(=O)c3cc2OC)ncc1C(F)(F)F
BDBM128263 CCN1Cc2c(ccc(Nc3ncc(c(NC)n3)C(F)(F)F)c2OC)C1=O
BDBM128264 CNc1nc(Nc2ccc3C(=O)N(Cc3c2OC)C(C)(C)O)ncc1C(F)(F)F
BDBM128265 CNc1nc(Nc2ccc3C(=O)N(Cc3c2OC)C2COC2)ncc1C(F)(F)F
BDBM128266 CNc1nc(Nc2cc3CN(C)C(=O)c3cc2OC)ncc1C(F)(F)F
BDBM128267 CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2Cl)ncc1C(F)(F)F
BDBM128268 CNc1nc(Nc2cc3CN(CC(C)(C)O)C(=O)c3cc2OC)ncc1C(F)(F)F
BDBM128269 CNc1nc(Nc2cc3CN(C4COC4)C(=O)c3cc2OC)ncc1C(F)(F)F
BDBM128270 CCNc1nc(Nc2cc3CN(C4COC4)C(=O)c3cc2OC)ncc1C(F)(F)F
BDBM128271 CNc1nc(Nc2cc3n(C)cc(C(=O)N(C)C)c3cc2Cl)ncc1C(F)(F)F
BDBM128246 CNc1nc(Nc2cc3OCCN(C)C(=O)c3cc2Cl)ncc1C(F)(F)F
BDBM128247 CNc1nc(Nc2cc3OC(C)(C)C(=O)N(C)c3cc2OC)ncc1Cl
BDBM128248 CNc1nc(Nc2cc3oc(cc3cc2OC)C(=O)N(C)C)ncc1C(F)(F)F
BDBM128272 CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCNCC4)c3cc2Cl)ncc1C(F)(F)F
BDBM128273 CCNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2Cl)ncc1C(F)(F)F
BDBM128274 CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCOCC4)c3cc2OC)ncc1C(F)(F)F
BDBM128275 CNc1nc(Nc2cc3n(C)cc(C(=O)N4CCN(C)CC4)c3cc2Cl)ncc1C(F)(F)F
BDBM128249 CNc1nc(Nc2cc3n(C)c(=O)n(C)c3cc2Cl)ncc1C(F)(F)F
BDBM128276 CCN1CCN(CC1)C(=O)c1cn(C)c2cc(Nc3ncc(c(NC)n3)C(F)(F)F)c(Cl)cc12
BDBM128251 CNc1nc(Nc2cc3nc(C)oc3cc2Cl)ncc1C(F)(F)F
BDBM128277 CNc1nc(Nc2cc3n(C)cc(C(=O)N4C[C@@H]5C[C@H]4CO5)c3cc2Cl)ncc1C(F)(F)F |r,TLB:13:15:21.20:18|
BDBM128252 CNc1nc(Nc2cc3C(=O)N(C)Cc3cc2OC)ncc1C(F)(F)F
BDBM128253 CNc1nc(Nc2cc3CN(C)C(=O)c3cc2Cl)ncc1Cl
BDBM128254 CNc1nc(Nc2cc3CN(C)C(=O)c3cc2Cl)ncc1C(F)(F)F
BDBM128255 CNc1nc(Nc2ccc3C(=O)N(Cc3c2OC)C2CC2)ncc1C(F)(F)F
BDBM128256 CNc1nc(Nc2ccc3C(=O)N(C)Cc3c2OC)ncc1C(F)(F)F
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,)|
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
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
BDBM14028 C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
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,)|
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
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
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
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
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
BDBM129148 CCNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129137 CCNc1nc(Nc2ccc(cc2OC(F)(F)F)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129079 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)C)ncc1C(F)(F)F
BDBM129138 CNc1nc(Nc2ccc(cc2OC(F)(F)F)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129034 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C1CC1
BDBM129091 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
BDBM128250 CNc1nc(Nc2cc3oc(=O)n(C)c3cc2Cl)ncc1C(F)(F)F
BDBM129015 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC2)ncc1Cl
BDBM129029 CNc1nc(Nc2ccc(cc2OC)C(=O)N2C3CCC2COC3)ncc1Cl
BDBM129038 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(C2)C(F)(F)F)ncc1Br
BDBM129039 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C#N)ncc1Br
BDBM129016 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(F)(F)CC2)ncc1Cl
BDBM129017 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C(C)=O)ncc1Cl
BDBM129030 COc1cc(ccc1Nc1ncc(Cl)c(OC(C)C)n1)C(=O)N1CCOCC1
BDBM129018 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC(C2)C(F)(F)F)ncc1Cl
BDBM129019 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC2C)ncc1Cl
BDBM129020 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC2)ncc1Cl
BDBM129031 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CC2CO3)ncc1Cl
BDBM129021 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)S(C)(=O)=O)ncc1Cl
BDBM129032 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CCC(C2)O3)ncc1Cl
BDBM129033 CNc1nc(Nc2ccc(cc2OC)C(=O)NCCCN)ncc1Cl
BDBM129008 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(O)CC2)ncc1F
BDBM129022 CCC1(CC)CN(CCO1)C(=O)c1ccc(Nc2ncc(Cl)c(NC)n2)c(OC)c1
BDBM129023 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2CO)ncc1Cl
BDBM129108 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC[C@H](F)C2)ncc1C#N |r|
BDBM129009 CNc1nc(Nc2ccc(cc2OC)C(=O)N(C)C)ncc1Cl
BDBM129010 CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CC2)ncc1Cl
BDBM129024 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOC(CC(C)C)C2)ncc1Cl
BDBM129011 CNc1nc(Nc2ccc(cc2OC(F)F)C(=O)N2CCOCC2)ncc1Cl
BDBM129035 COc1cc(ccc1Nc1ncc(Cl)c(NCC(C)C)n1)C(=O)N1CCOCC1
BDBM129036 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C(=O)C2CC2)ncc1Cl
BDBM129012 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN3CCCCC3C2)ncc1Cl
BDBM129013 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(C)CC(C)C2)ncc1Cl
BDBM129025 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCNCC2)ncc1Cl
BDBM129026 CCOc1cc(ccc1Nc1ncc(Cl)c(NC)n1)C(=O)N1CCOCC1
BDBM129014 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCCC2)ncc1Cl
BDBM129027 CNc1nc(Nc2ccc(cc2OC)C(N)=O)ncc1Cl
BDBM129028 CNc1nc(Nc2ccc(cc2OC)C(=O)NC(C)C)ncc1Cl
BDBM129037 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C(C)(C)O)ncc1Br
BDBM129053 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(C2)N2CCOCC2)ncc1Cl
BDBM129054 COc1cc(ccc1Nc1ncc(Cl)c(NC2(C)CCC2)n1)C(=O)N1CCOCC1
BDBM129072 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(CC2)N(C)C)ncc1Cl
BDBM129064 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)C)ncc1Cl
BDBM129040 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C2CCC2)ncc1Br
BDBM129067 CNC(=O)c1cc(Cl)c(Nc2ncc(Cl)c(NC)n2)cc1OC
BDBM129048 CNc1nc(Nc2ccc(cc2O)C(=O)N2CCOCC2)ncc1Cl
BDBM129055 COc1cc(ccc1Nc1ncc(Cl)c(NCC2CCOC2)n1)C(=O)N1CCOCC1
BDBM129065 CNc1nc(Nc2cc(OC)c(cc2Cl)C(N)=O)ncc1Cl
BDBM129075 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CC2)ncc1C(F)(F)F
BDBM129045 CNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1Cl
BDBM129047 COc1cc(ccc1Nc1ncc(Cl)c(NC2CCC2)n1)C(=O)N1CCOCC1
BDBM129076 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CCN(C)CC2)ncc1Cl
BDBM129050 COc1nc(Nc2ccc(cc2OC2CCC2)C(=O)N2CCOCC2)ncc1Br
BDBM129058 COc1cc(ccc1Nc1ncc(Cl)c(NCCC2CC2)n1)C(=O)N1CCOCC1
BDBM129068 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(F)(F)CC2)ncc1Cl
BDBM129077 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCCC2)ncc1Cl
BDBM129041 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC(F)(F)F)CC2)ncc1Br
BDBM129046 COc1cc(ccc1Nc1ncc(Cl)c(NCC2CC2)n1)C(=O)N1CCOCC1
BDBM129042 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)OC)ncc1Br
BDBM129059 COCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM129069 CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CC2)ncc1C(F)(F)F
BDBM129060 COCCNc1nc(Nc2ccc(cc2OCC(F)(F)F)C(=O)N2CCOCC2)ncc1Cl
BDBM129070 CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCCOC)ncc1C(F)(F)F
BDBM129049 CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(Br)c(OC)n2)c(OC)c1
BDBM129051 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM129061 CNc1nc(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
BDBM129071 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCNCC2)ncc1Cl
BDBM129056 COc1cc(ccc1Nc1ncc(I)c(OC)n1)C(=O)N1CCOCC1
BDBM129062 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1OC
BDBM129073 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(O)C2)ncc1Cl
BDBM129043 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC[C@@H](O)C2)ncc1Br |r|
BDBM129063 COCCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
BDBM129074 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2COC2)ncc1Cl
BDBM129044 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC2)C2COC2)ncc1Br
BDBM129052 COc1cc(ccc1Nc1ncc(Br)c(OC)n1)C(=O)N1CC(C1)N1CCOCC1
BDBM129066 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCCO)ncc1Cl
BDBM129086 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2(CC2)C#N)ncc1Cl
BDBM129093 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(C2)C#N)ncc1C(F)(F)F
BDBM129095 CNC(=O)c1cc(OC)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1F
BDBM129094 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC(C2)C#N)ncc1C(F)(F)F
BDBM129078 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC(C)(C)C)ncc1Cl
BDBM129081 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOC(CO)C2)ncc1Cl
BDBM129083 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCCOCC2)ncc1Cl
BDBM129087 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(C2)C#N)ncc1Cl
BDBM129099 COCCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1Br
BDBM129100 COCCNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1Br
BDBM129105 CNc1nc(Nc2ccc(cc2C2CC2)C(=O)N2CCOCC2)ncc1Cl
BDBM129080 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(O)CC2)ncc1Cl
BDBM129089 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
BDBM129082 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)CCO)ncc1Cl
BDBM129101 COCCOc1nc(Nc2ccc(cc2OC2CCC2)C(=O)N2CCOCC2)ncc1Cl
BDBM129084 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(CC2)C#N)ncc1Cl
BDBM129090 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2COC2)ncc1C(F)(F)F
BDBM129102 CNc1nc(Nc2ccc(cc2OC2CCCC2)C(=O)N2CC3(COC3)C2)ncc1Cl
BDBM129085 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CC(O)C2)ncc1Cl
BDBM129096 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N(C)CC(C)(C)O)ncc1C(F)(F)F
BDBM129092 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCNCC2)ncc1C(F)(F)F
BDBM129097 COc1cc(ccc1Nc1ncc(C2CC2)c(OC)n1)C(=O)N1CCOCC1
BDBM129103 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3(COC3)C2)ncc1Cl
BDBM129088 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2C[C@H](C)N[C@H](C)C2)ncc1Cl |r|
BDBM129098 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(C)=O
BDBM129104 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(F)(F)OC(F)(F)C2)ncc1C#N
BDBM129117 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(F)(F)C2)ncc1C#N
BDBM129129 CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1Cl
BDBM129107 CNc1nc(Nc2ccc(cc2OC)C(=O)NCC2CC2)ncc1C#N
BDBM129113 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCCC2)ncc1C#N
BDBM129122 CNc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129125 CNc1nc(Nc2ccc(cc2OC2CC2)C(=O)N2CCOCC2)ncc1Br
BDBM129126 COc1cc(ccc1Nc1ncc(Cl)c(NCCS(C)(=O)=O)n1)C(=O)N1CCOCC1
BDBM129110 CCN(CC)C(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
BDBM129130 CNc1nc(Nc2ccc(CC(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F
BDBM129139 CCNc1nc(Nc2cc(OC)c(cc2F)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129106 CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CC(F)(F)C2)ncc1C#N
BDBM129115 CNc1nc(Nc2ccc(cc2OC)C(=O)NC(C)(C)C)ncc1C#N
BDBM129134 COCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
BDBM129120 CNc1nc(Nc2ccc(cc2OC)C(=O)N(C)C(C)C)ncc1C#N
BDBM129116 CCN(C(C)C)C(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
BDBM129131 COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Br)c(OC)n1
BDBM129123 CCOc1cc(ccc1Nc1ncc(c(NC)n1)C(F)(F)F)C(=O)N1CCOCC1
BDBM129128 CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1Cl
BDBM129109 CNC(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
BDBM129111 CNc1nc(Nc2ccc(cc2OC)C(=O)NC(C)C)ncc1C#N
BDBM129132 CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F
BDBM129127 CNc1nc(Nc2cc(OC)c(CC(=O)N3CCOCC3)cc2OC)ncc1Br
BDBM129124 CNc1nc(Nc2ccc(cc2OC2CC2)C(=O)N2CCOCC2)ncc1Cl
BDBM129133 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NCCCN)ncc1Cl
BDBM129136 CNc1nc(Nc2ccc(cc2C)C(=O)N2CCC(O)CC2)ncc1Cl
BDBM129112 CCNC(=O)c1ccc(Nc2ncc(C#N)c(NC)n2)c(OC)c1
BDBM129121 COc1cc(ccc1Nc1ncc(Cl)c(NC2CCOC2)n1)C(=O)N1CCOCC1
BDBM129119 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC2)ncc1C#N
BDBM129135 COC(C)CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM129114 CNc1nc(Nc2ccc(cc2OC)C(=O)NCC(F)F)ncc1C#N
BDBM129149 COc1cc(ccc1Nc1ncc(Cl)c(n1)N1CCCCC1)C(=O)N1CCOCC1
BDBM129147 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)ncc1C(F)(F)F |r|
BDBM129154 COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(OC)n1)C(F)(F)F
BDBM129140 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)C)ncc1C#N
BDBM129143 CNc1nc(Nc2ccc(cc2OC)C(=O)N2C[C@H](F)[C@@H](F)C2)ncc1C#N |r|
BDBM129144 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCC(C2)OC)ncc1C(F)(F)F
BDBM129141 CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
BDBM129146 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CC(C)(C)O)ncc1C(F)(F)F
BDBM129156 COc1nc(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
BDBM129157 COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(c(OC)n1)C(F)(F)F
BDBM129152 CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129162 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)NC2(CC2)C#N)ncc1C(F)(F)F
BDBM129150 COc1cc(ccc1Nc1ncc(Cl)c(n1)N1CCCC1)C(=O)N1CCOCC1
BDBM129158 COc1cc(ccc1Nc1ncc(c(OC)n1)C(F)(F)F)C(=O)N1CCOCC1
BDBM129163 CNC(=O)c1cc(Cl)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1OC
BDBM129155 COc1cc(Nc2ncc(Cl)c(OC)n2)c(Cl)cc1C(=O)N1CCOCC1
BDBM129159 COc1cc(ccc1Nc1ncc(Cl)c(OC2CCOCC2)n1)C(=O)N1CCOCC1
BDBM129153 CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
BDBM129142 CCNc1nc(Nc2ccc(C(=O)N3C[C@@H]4C[C@H]3CO4)c(F)c2OC)ncc1C(F)(F)F |r|
BDBM129145 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC(C2)OC)ncc1C(F)(F)F
BDBM129182 CNc1nc(Nc2ccc(cc2OCC2CC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129183 CNc1nc(Nc2ccc(cc2OCC2CCC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129184 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1Br
BDBM129185 CNc1nc(Nc2ccc(cc2C2CC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129186 CNc1nc(Nc2ccc(cc2Br)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129187 CNc1nc(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129188 CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM129189 COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(Br)c(OC)n1
BDBM129190 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1Cl
BDBM129165 FC(F)(F)c1cnc(Nc2ccc(cc2Br)C(=O)N2CCOCC2)nc1N1CCCC1
BDBM129166 CNc1nc(Nc2ccc(cc2OC2CCC2)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129192 COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCCC1
BDBM129193 CCOc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC)n1)C(F)(F)F
BDBM129194 CNc1nc(Nc2ccc(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
BDBM129167 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(F)(F)C2)ncc1C(F)(F)F
BDBM129195 CCNc1nc(Nc2ccc(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
BDBM129196 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
BDBM129197 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)CCOC)ncc1C(F)(F)F
BDBM129198 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F |r|
BDBM129164 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CC(C)OC(C)C2)ncc1C(F)(F)F
BDBM129169 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CCC(C2)O3)ncc1C(F)(F)F
BDBM129170 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC3CC(C2)O3)ncc1C(F)(F)F
BDBM129199 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCC[C@H]2COC)ncc1C(F)(F)F |r|
BDBM129200 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(CC)CCOC)ncc1C(F)(F)F
BDBM129201 CCN(CCOC)C(=O)c1cc(OC)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1F
BDBM129171 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCCC2)ncc1C(F)(F)F
BDBM129172 CCN(CC)C(=O)c1ccc(Nc2ncc(c(NC)n2)C(F)(F)F)c(OC)c1
BDBM129173 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)N(C)C)ncc1C(F)(F)F
BDBM129174 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CC(C)OC(C)C2)ncc1C(F)(F)F
BDBM129175 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)C#N)ncc1C(F)(F)F
BDBM129176 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(CC(F)(F)F)CC2)ncc1C(F)(F)F
BDBM129177 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(CC2)OC)ncc1C(F)(F)F
BDBM129178 CNc1nc(Nc2ccc(cc2OC)C(=O)NCCOC)ncc1C(F)(F)F
BDBM129179 CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCN(C)CC2)ncc1C(F)(F)F
BDBM129202 CCNc1nc(Nc2cc(F)c(cc2OCC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129206 COc1cc(ccc1Nc1ncc(C#N)c(OC)n1)C(=O)N1CCOCC1
BDBM129207 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C#N
BDBM129161 CNc1nc(Nc2ccc(cc2OCCF)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM129180 CNc1nc(Nc2ccc(cc2OC)C(=O)NC2CCC(F)(F)CC2)ncc1C(F)(F)F
BDBM129208 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C#N
BDBM129209 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)ncc1C#N |r|
BDBM129210 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)ncc1C#N |r|
BDBM129168 CNc1nc(Nc2ccc(cc2OC)C(=O)NC2COC2)ncc1C(F)(F)F
BDBM129181 CNc1nc(Nc2ccc(cc2OC2COC2)C(=O)N2CCOCC2)ncc1Cl
BDBM129211 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N(C)C)ncc1C#N
BDBM105162 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cncnc3)c12
BDBM105163 N#Cc1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105164 N#Cc1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105165 CN(C)C(=O)c1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105166 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cn[nH]c3)c12
BDBM105168 CC(=O)Nc1ccccc1-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105169 CC(=O)Nc1ccc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105171 CC(=O)Nc1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105172 CC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105173 CNC(=O)c1cccc(c1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105174 CN(C)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105175 CCn1cc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105176 CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(c3)C(C)C)c12
BDBM105177 CC(C)n1cc(cc1C(=O)N1CCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105178 CC(C)Oc1nccc2[nH]nc(-c3ccnc(c3)C(=O)N3C[C@@H]4C[C@H]3CO4)c12 |r,TLB:18:20:26.25:23|
BDBM105179 O=C(N1CCCC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105180 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOC3)c12
BDBM105181 COc1nccc2[nH]nc(-c3cnn(c3)C3CCOC3)c12
BDBM105182 CNC(=O)c1cccc(c1)-c1[nH]nc2cc(C)nc(OC)c12
BDBM105183 COc1nccc2[nH]nc(-c3ccnc(c3)N3C[C@H](C)O[C@H](C)C3)c12 |r|
BDBM105126 Cc1[nH]nc2cc(nc(OC3CCCCC3)c12)C1CC1
BDBM105061 C[C@H]1CCCN(C1)C(=O)CCc1[nH]nc2ccnc(NC3CCOCC3)c12 |r|
BDBM105062 O=C(CCc1[nH]nc2ccnc(OC3CCCCC3)c12)N1CCC[C@@H](C1)c1ccccc1 |r|
BDBM105063 O=C(CCc1[nH]nc2ccnc(NC3CCCCC3)c12)N1CCN(CC1)C1CC1
BDBM105064 C1CC(CCO1)Nc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM105065 CN1CCN(CC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105096 COc1cc(ccn1)-c1n[nH]c2ccnc(OC)c12
BDBM105070 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccco3)c12
BDBM105071 C1CCC(C1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105072 C(C1CCC1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCCCC3)c12
BDBM105073 CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(c3)C(C)C)c12
BDBM105074 CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(c3)C(C)C)c12
BDBM105075 CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
BDBM105076 COc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(c3)C(C)C)c12
BDBM105077 COc1nccc2[nH]nc(-c3cc(C(=O)NC4COC4)n(c3)C(C)C)c12
BDBM105078 CC(C)n1cc(cc1C(=O)N1CCOCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105079 CC(C)n1cc(cc1C(=O)N(C)C)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105080 CC(C)n1cc(cc1C(=O)NC1COC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105081 O=C(N1CCOCC1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105082 FC(F)(F)COc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM105083 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OCC(F)(F)F)c12
BDBM105084 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC(C)C(F)(F)F)c12
BDBM105085 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(n3)N3CCOCC3)c12
BDBM105066 C1CC1c1[nH]nc2ccnc(OC3CCCCC3)c12
BDBM105067 C1CC1c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105068 CCC(C)Oc1nccc2n[nH]c(C3CC3)c12
BDBM105069 Cc1[nH]nc2ccnc(OC3CCOC3)c12
BDBM105088 COc1nccc2[nH]nc(-c3cnn(CC(F)(F)F)c3)c12
BDBM105089 COc1nccc2[nH]nc(-c3cnn(CC4(C)COC4)c3)c12
BDBM105090 C(C1CCOCC1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105091 FC(F)(F)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105092 C1CC(CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105093 Cc1cc(cc(C)n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105094 COc1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105095 Fc1c(ccnc1N1CCOCC1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105097 COc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM105098 COc1nccc2[nH]nc(-c3ccnc(c3)C(F)(F)F)c12
BDBM105099 COc1nccc2n[nH]c(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)c12
BDBM105100 C1CCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105101 CC1CCCN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105102 C1OCC1Nc1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105103 C1CN(C1)c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105104 Cn1cc(cn1)-c1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105105 COc1nccc2[nH]nc(-c3ccnc(c3)N3[C@H]4CC[C@@H]3COC4)c12 |r,THB:14:16:21.22.23:19.18|
BDBM105106 COc1nccc2[nH]nc(-c3ccnc(c3)N3C[C@@H]4C[C@H]3CO4)c12 |r|
BDBM105107 COc1nccc2[nH]nc(-c3ccnc(c3)N3CCCC3)c12
BDBM105108 COc1nccc2[nH]nc(-c3ccnc(c3)-c3cnn(C)c3)c12
BDBM105109 CC(C)n1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105110 C1OCC1n1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105111 C1OCC1n1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105112 FC1(F)CC1Cn1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105113 C1CC(CO1)n1cnc2ccc(cc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105114 C1CC(CO1)n1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105115 Clc1ccccc1C#Cc1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105116 O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105117 CN(C)C(=O)c1ccc(cc1F)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105118 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccc4cn[nH]c4c3)c12
BDBM105119 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccc4nc[nH]c4c3)c12
BDBM105120 Cn1ncc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105121 CC(C)n1cc2ccc(cc2n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105123 Cn1cnc2cc(ccc12)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105124 C1C[C@H](CO1)n1cc(cn1)-c1c[nH]c2ccnc(OC3CCOCC3)c12 |r|
BDBM105125 C1C[C@@H](CO1)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12 |r|
BDBM105128 C1CC(CCO1)Oc1nccc2[nH]nc(-c3cnc4ccccc4c3)c12
BDBM105129 N#CCc1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105130 CN(C)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105131 CC(C)NC(=O)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105132 O=C(NC1CC1)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105133 N#Cc1cncc(c1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105134 C1CC(CCO1)Oc1nccc2[nH]nc(-c3cccc4[nH]ccc34)c12
BDBM105137 C(N1CCOCC1)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105138 COc1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)ccn1
BDBM105139 C1CC(CCO1)Oc1nccc2n[nH]c(Nc3ccncc3)c12
BDBM105140 CC(C)n1cc(Nc2[nH]nc3ccnc(OC4CCOCC4)c23)cn1
BDBM105141 CS(=O)(=O)c1cccc(c1)-c1[nH]nc2ccnc(OC3CCOCC3)c12
BDBM105142 COc1nccc2n[nH]c(-c3cccc(c3)S(C)(=O)=O)c12
BDBM105143 CC(C)c1nc(n[nH]1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
BDBM105144 CNC(=O)c1cccc(c1)-c1[nH]nc2cc(C)nc(OC3CCOCC3)c12
BDBM105145 Cc1cc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c(OC2CCOCC2)n1
BDBM105146 COc1nccc2n[nH]c(-c3ccc(cc3)S(C)(=O)=O)c12
BDBM105147 N#Cc1cc(ccn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM105148 Cn1cccc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)c1=O
BDBM105150 CC(Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12)C(F)(F)F
BDBM105151 COCCOc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM105152 O=C1OCCN1CCOc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM105153 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OCCN3CCOC3=O)c12
BDBM105154 COc1nccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c12
BDBM105156 C1CC(CCO1)Oc1nccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c12
BDBM105155 COC(=O)c1[nH]nc2ccnc(NC3CCOCC3)c12
BDBM105157 Cc1[nH]nc2ccnc(NC3CCOCC3)c12
BDBM105158 C1CC(CO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM105086 COc1nccc2[nH]nc(-c3cnn(c3)C3COC3)c12
BDBM105159 Cc1[nH]nc2ccnc(OC3CCCC3)c12
BDBM105160 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3cccnc3)c12
BDBM105161 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)-c3ccncc3)c12
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM41571 Cn1cc(\C=C\c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1
BDBM41573 CN1CCc2c1cccc2-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM41572 CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(c3)C(C)C)c12
BDBM127885 CNc1nc(Nc2ccc(cc2OC)-c2nccn2C)ncc1Cl
BDBM127886 CNc1nc(Nc2ccc(cc2OC)-c2cncn2C)ncc1Cl
BDBM127887 CNc1nc(Nc2ccc(cc2OC)-c2cnnn2C)ncc1C(F)(F)F
BDBM127888 CNc1nc(Nc2ccc(cc2OC)-c2nnn(C)n2)ncc1C(F)(F)F
BDBM127889 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nccn2C)ncc1C(F)(F)F
BDBM127899 CCNc1nc(Nc2cc(F)c(cc2OC)-c2nnc(C)o2)ncc1C(F)(F)F
BDBM127876 CNc1nc(Nc2cc(F)c(cc2OC)-c2nc(C)no2)ncc1C(F)(F)F
BDBM127877 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nnc(C)o2)ncc1C(F)(F)F
BDBM127878 CNc1nc(Nc2ccc(cc2OC)-c2cncn2C)ncc1C(F)(F)F
BDBM127884 CNc1nc(Nc2ccc(cc2OC)-c2cnoc2)ncc1Cl
BDBM127902 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cnn(C)c2)ncc1C(F)(F)F
BDBM127903 CNc1nc(Nc2ccc(cc2Cl)-c2nnc(C)o2)ncc1Cl
BDBM127890 CNc1nc(Nc2ccc(cc2OC)-c2nnnn2C)ncc1C(F)(F)F
BDBM127901 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nc(C)no2)ncc1C(F)(F)F
BDBM127894 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2c(C)nn(C)c2C)ncc1C(F)(F)F |(-1.75,2.87,;-3.08,2.1,;-3.08,.56,;-1.75,-.21,;-1.75,-1.75,;-.41,-2.52,;.92,-1.75,;.92,-.21,;2.25,.56,;2.25,2.1,;.92,2.87,;3.59,-.21,;3.59,-1.75,;2.25,-2.52,;2.25,-4.06,;4.92,.56,;6.38,.08,;6.78,-1.41,;7.29,1.33,;6.38,2.57,;6.78,4.06,;4.92,2.1,;3.59,2.87,;-3.08,-2.52,;-4.42,-1.75,;-4.42,-.21,;-5.75,.56,;-7.29,.56,;-5.75,2.1,;-6.52,-.78,)|
BDBM127893 CNc1nc(Nc2ccc(cc2OC)-c2cnnn2C)ncc1Cl
BDBM127896 CNc1nc(Nc2ccc(cc2OC)-c2c(C)noc2C)ncc1C(F)(F)F
BDBM127897 CNc1nc(Nc2ccc(cc2OC)-n2cnnn2)ncc1C(F)(F)F
BDBM127898 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2ccnn2C)ncc1C(F)(F)F
BDBM127891 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cncn2C)ncc1C(F)(F)F
BDBM127892 CNc1nc(Nc2cc(F)c(cc2OC)-c2nnnn2C)ncc1C(F)(F)F
BDBM127872 CNc1nc(Nc2ccc(cc2Cl)-c2nnn[nH]2)ncc1C(F)(F)F
BDBM127873 CNc1nc(Nc2ccc(cc2Cl)-c2nnn(C)n2)ncc1C(F)(F)F
BDBM127895 CNc1nc(Nc2ccc(cc2OC)-c2ccnn2C)ncc1C(F)(F)F
BDBM127900 CNc1nc(Nc2cc(F)c(cc2OC)-c2nnc(C)o2)ncc1C(F)(F)F
BDBM127875 CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2)ncc1C(F)(F)F
BDBM127874 CNc1nc(Nc2ccc(cc2OC)-n2cncn2)ncc1C(F)(F)F
BDBM127881 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2cnnn2C)ncc1C(F)(F)F
BDBM127880 CNc1nc(Nc2ccc(cc2OC)-c2nnnn2C)ncc1Cl
BDBM127905 CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2)ncc1Cl
BDBM127904 CNc1nc(Nc2ccc(cc2Cl)-c2nc(C)no2)ncc1Cl
BDBM127919 CNc1nc(Nc2cc(F)c(cc2OC)-n2nnnc2COC)ncc1C(F)(F)F
BDBM127907 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nnc(C)o2)ncc1Cl
BDBM127906 CNc1nc(Nc2cc(OC)c(cc2Cl)-c2nc(C)no2)ncc1Cl
BDBM127910 CNc1nc(Nc2ccc(cc2OC)-c2nncn2C)ncc1C(F)(F)F
BDBM127908 CNc1nc(Nc2ccc(cc2OC)-c2cn(C)nc2C)ncc1C(F)(F)F
BDBM127909 CNc1nc(Nc2ccc(cc2OC)-c2cnn(C)c2C)ncc1C(F)(F)F
BDBM127911 CNc1nc(Nc2cc(F)c(cc2OC)-c2cnn(C)c2C(=O)N(C)C)ncc1C(F)(F)F
BDBM127913 CNc1nc(Nc2cc(F)c(cc2OC)-c2cnnn2C)ncc1C(F)(F)F
BDBM127914 CNc1nc(Nc2cc(F)c(cc2OC)-c2cnn(c2)C2COC2)ncc1C(F)(F)F
BDBM127912 CNc1nc(Nc2cc(F)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
BDBM127915 CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2C)ncc1C(F)(F)F
BDBM127916 CNc1nc(Nc2cc(C)c(cc2OC)-n2nnnc2COC)ncc1C(F)(F)F
BDBM127917 CNc1nc(Nc2cc(F)c(cc2OC)-n2nc(C)cc2COC)ncc1C(F)(F)F
BDBM127918 CNc1nc(Nc2ccc(cc2OC)-n2nc(C)cc2COC)ncc1C(F)(F)F
BDBM50059889 CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50110713 CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
BDBM50110703 CSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
BDBM50110704 CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1
BDBM50110709 CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1cc[nH]n1
BDBM50110711 CC(C)Sc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
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
BDBM50132420 O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50222572 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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
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|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50360301 C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
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|
BDBM50379529 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
BDBM50398659 COc1cc(ccc1Nc1ncc(Br)c(OC)n1)C(=O)N1CCOCC1
BDBM50398660 COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCOCC1
BDBM50398661 CCNc1nc(Nc2cc3CN(CC(C)(C)O)C(=O)c3cc2OC)ncc1C(F)(F)F
BDBM50398662 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)NCC(C)(C)O)ncc1C(F)(F)F
BDBM50398663 CNc1nc(Nc2cnc(cc2OC)C2CCOCC2)ncc1C(F)(F)F
BDBM50398664 CCNc1nc(Nc2cnc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398665 CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
BDBM50398666 CNc1nc(Nc2ccc(cc2Cl)-c2nnnn2C)ncc1C(F)(F)F
BDBM50398667 COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F
BDBM50398668 CCNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398669 CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398670 CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F
BDBM50398671 CNc1nc(Nc2cc(OC)c(cc2F)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398672 CNc1nc(Nc2cc(C)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398673 CNc1nc(Nc2cc(C)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398674 CCNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398675 CNc1nc(Nc2cc(OC)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398676 CNc1nc(Nc2cc(OC)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50398677 CNc1nc(Nc2cc(Cl)c(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50393038 Cn1cc(C=Cc2[nH]nc3ccnc(OC4CCCCC4)c23)cn1 |w:5.5|
BDBM50396041 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM50396153 CNc1nc(Nc2ccccc2OC(F)F)ncc1Cl
BDBM50396154 CNc1nc(Nc2ccccc2Br)ncc1Cl
BDBM50396147 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C#N
BDBM50396148 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM50396149 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1F
BDBM50396150 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Br
BDBM50396151 CNc1nc(Nc2ccc(cc2Br)C(=O)N2CCOCC2)ncc1Cl
BDBM50396152 CNc1nc(Nc2ccc(cc2C)C(=O)N2CCOCC2)ncc1Cl
BDBM50396155 CNc1nc(Nc2ccccc2OC)ncc1Cl
BDBM50396156 CNc1nc(Nc2ccccc2C)ncc1Cl
BDBM50396157 CNc1nc(Nc2ccccc2)ncc1Cl
BDBM50396158 CNc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)ncc1Cl
BDBM50396159 Cc1cc(cc(C)c1C)-c1ccc2nc(Nc3ccccc3)nn2c1
BDBM50396160 Cc1ccccc1Nc1nc2ccc(cn2n1)-c1cc(C)c(O)c(C)c1
BDBM50401284 Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50426396 CNc1nc(Nc2cnn(C)c2)ncc1C(F)(F)F
BDBM50426397 CNc1nc(Nc2ccnn2C)ncc1C(F)(F)F
BDBM50426398 CNc1nc(Nc2ccn(C)n2)ncc1C(F)(F)F
BDBM50426403 CNc1nc(Nc2cnn(CC(C)(C)O)c2Cl)ncc1C(F)(F)F
BDBM50426401 CNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F
BDBM50426402 CNc1nc(Nc2cnn(C)c2C)ncc1C(F)(F)F
BDBM50426395 CNc1nc(Nc2cn(C)nc2C)ncc1C(F)(F)F
BDBM50431894 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C1=NCCN1 |t:27|
BDBM50431895 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nccs1
BDBM50431896 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(C)=O
BDBM50431897 C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)-n1ccoc1=O)C#N)C1CC1 |r|
BDBM50431898 C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N)C1CC1 |r|
BDBM50431899 CN(C(C)=O)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM50431900 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(c(cnc2c1)C#N)-n1ccnc1
BDBM50431901 CN(c1ccccc1)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM50431902 CN1CCN(CC1)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM50431903 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCCCC3)c(cnc2c1)C#N
BDBM50431904 CN(C)c1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM50431905 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
BDBM50431906 Cn1cc(cn1)-c1ccc2c(N3CCC3)c(cnc2c1)C#N
BDBM50432020 FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc2nnc(-c3ccccc3)n2n1
BDBM50432021 FC(F)(F)c1cccc(c1)S(=O)c1ccc2nnc(-c3ccccc3)n2n1
BDBM50432022 FC(F)(F)c1cccc(c1)C(C#N)c1ccc2nnc(-c3ccccc3)n2n1
BDBM50432023 FC(F)(F)c1cccc(c1)C(=O)c1ccc2nnc(-c3ccccc3)n2n1
BDBM50432024 FC(F)(F)c1cccc(Nc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50432025 FC(F)(F)c1cccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50432026 CCOC(=O)c1cc(Sc2cccc(c2)C(F)(F)F)nn2c(nnc12)-c1cccs1
BDBM50432027 CCOC(=O)C(C)Sc1nn2c(nnc2cc1-c1ccccc1)-c1ccccc1
BDBM50432028 Cc1cc(Sc2cccc(c2)C(F)(F)F)nn2c(nnc12)-c1cccs1
BDBM50432029 Cc1cc2nnc(-c3cccs3)n2nc1Sc1cccc(c1)C(F)(F)F
BDBM50432030 CC(Sc1ccc2nnc(-c3cccc(Cl)c3)n2n1)c1ccn[nH]1
BDBM50432031 CC(Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1
BDBM50432032 CC(C)(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
BDBM50432033 CC(C)C(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
BDBM50432034 CCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(=O)OC
BDBM50432035 COC(=O)[C@@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
BDBM50432036 COC(=O)[C@H](C)Sc1ccc2nnc(-c3cccs3)n2n1 |r|
BDBM50432038 S(c1ccccc1)c1ccc2nnc(-c3cncs3)n2n1
BDBM50432039 FC(F)(F)c1ccnc(Sc2ccc3nnc(-c4cncs4)n3n2)n1
BDBM50432040 S(c1ccc2nnc(-c3cncs3)n2n1)c1ncccn1
BDBM50432041 FC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432042 CC(C)(C)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432043 COc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432044 Fc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432045 Clc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432046 Brc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432047 FC(F)(F)c1ccccc1Sc1ccc2nnc(-c3ccccc3)n2n1
BDBM50432048 FC(F)(F)c1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1
BDBM50432049 FC(F)(F)c1cccc(Sc2ccc3nnc(Cc4cccs4)n3n2)c1
BDBM50432050 FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCNCC4)n3n2)c1
BDBM50432051 FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCOCC4)n3n2)c1
BDBM50432052 FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCCC4)n3n2)c1
BDBM50432053 FC(F)(F)c1cccc(Sc2ccc3nnc(C4CC4)n3n2)c1
BDBM50432054 Fc1ccc(cc1)-c1nnc2ccc(Sc3cccc(c3)C(F)(F)F)nn12
BDBM50432055 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(c4)N4CCNCC4)n3n2)c1
BDBM50432056 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccc(Cl)c4)n3n2)c1
BDBM50432057 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4Cl)n3n2)c1
BDBM50432058 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
BDBM50432059 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccnc4)n3n2)c1
BDBM50432060 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccn4)n3n2)c1
BDBM50432061 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4sccc4Br)n3n2)c1
BDBM50432062 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cscn4)n3n2)c1
BDBM50432063 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4nccs4)n3n2)c1
BDBM50432064 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50432065 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccn[nH]4)n3n2)c1
BDBM50432066 COC(=O)C(C)Sc1ccc2ncc(-c3cccs3)n2n1
BDBM50432067 FC(F)(F)c1cccc(Sc2cn3c(cnc3cn2)-c2cccs2)c1
BDBM50432068 FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3c2)c1
BDBM50432069 FC(F)(F)c1cccc(Sc2ccc3cnc(-c4cccs4)n3n2)c1
BDBM50432070 FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3n2)c1
BDBM50432071 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccs4)n3n2)c1
BDBM50432072 FC(F)(F)c1cccc(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50432037 CC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
BDBM50431907 CC(C)Nc1c(cnc2ccccc12)C#N
BDBM50431908 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(Cl)s1)C#N
BDBM50431909 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(nc1)S(C)(=O)=O)C#N
BDBM50431910 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C)C#N
BDBM50431911 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1)C#N
BDBM50431912 CC(C)Nc1c(cnc2cc(ccc12)-c1cnc(C)s1)C#N
BDBM50431913 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
BDBM50431914 CNS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(C)C)c(cnc2c1)C#N
BDBM50431915 CC(C)Nc1c(cnc2cc(ccc12)-c1cnn(C)c1)C#N
BDBM50431916 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cnn(C)c1
BDBM50431917 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM50428692 CC(C)Nc1c(nnc2c(C)c(ccc12)-c1ccncc1)C(N)=O
BDBM50428693 CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)-c1ccc(cc1)S(C)(=O)=O |r|
BDBM50428694 CNC(=O)c1nnc2cc(ccc2c1NC(C)C)-c1ccc(cc1)S(C)(=O)=O
BDBM50428695 CC(C)Nc1c(nnc2cc(ccc12)-c1cnsc1)C(N)=O
BDBM50428696 CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)C(N)=O
BDBM50428697 CC(C)Nc1c(nnc2cc(ccc12)N1CCN(C)CC1)C(N)=O
BDBM50428698 CC(C)Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O
BDBM50428699 CC(C)Nc1c(nnc2ccc(cc12)-c1cnn(C)c1)C(N)=O
BDBM50428700 CC(C)Nc1c(nnc2cc(ccc12)-c1cn[nH]c1)C(N)=O
BDBM50428701 CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
BDBM50428702 CC(C)Nc1c(nnc2ccc(cc12)-c1ccncc1)C(N)=O
BDBM50428703 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1 |r|
BDBM50428704 CC(C)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
BDBM50428705 NC(=O)c1nnc2cc(ccc2c1NCCO)-c1ccncc1
BDBM50428706 NC(=O)c1nnc2cc(ccc2c1NCCCO)-c1ccncc1
BDBM50428707 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)c1ccccc1 |r|
BDBM50428708 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(N)c(nnc2c1)C(N)=O
BDBM50428709 CNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM50428710 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOC3)c(nnc2c1)C(N)=O
BDBM50428711 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CC3)c(nnc2c1)C(N)=O
BDBM50428712 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCOCC3)c(nnc2c1)C(N)=O
BDBM50428713 CCNc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM50428714 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CC3)c(nnc2c1)C(N)=O
BDBM50428715 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O
BDBM50428716 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r|
BDBM50428717 CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O |r|
BDBM50428718 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM50428719 CC(C)Nc1c(cnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM50441567 CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
BDBM50441569 Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
BDBM50441571 COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
BDBM50441572 COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
BDBM50441573 COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
BDBM50442139 CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
BDBM50441090 CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM50434582 Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM50436423 COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1
BDBM50448110 CNc1nc(Nc2cnn([C@H]3CCN(C[C@@H]3F)C3COC3)c2Cl)ncc1C(F)(F)F |r|
BDBM50448111 CNc1nc(Nc2cn(nc2C)[C@H]2CCN(C[C@H]2F)C2COC2)ncc1C(F)(F)F |r|
BDBM50448112 CNc1nc(Nc2cnn(C3CCN(CC3)C3COC3)c2C)ncc1C(F)(F)F
BDBM50448113 CNc1nc(Nc2cnn(C3CCOCC3)c2C)ncc1C(F)(F)F
BDBM50448114 CNc1nc(Nc2cnn(C3COC3)c2C)ncc1C(F)(F)F
BDBM50448115 CNc1nc(Nc2cnn(c2Cl)C2(CC2)C#N)ncc1C(F)(F)F
BDBM50448116 CNc1nc(Nc2cn(nc2C)C2(CC2)C#N)ncc1C(F)(F)F
BDBM50448117 CNc1nc(Nc2cnn(c2C)C(C)(C)C#N)ncc1C(F)(F)F
BDBM50448118 CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
BDBM50448119 CNc1nc(Nc2cn(nc2C)C(C)(C)C(=O)NCC(F)(F)F)ncc1C(F)(F)F
BDBM50448120 CNc1nc(Nc2cn(nc2C)C(C)(C)C(=O)NC(C)C)ncc1C(F)(F)F
BDBM50448121 CCNC(=O)C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1
BDBM50448122 CNC(=O)C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1
BDBM50448123 CNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F
BDBM50448124 CNc1nc(Nc2cnn3C[C@H](C)OC(C)c23)ncc1C(F)(F)F |r|
BDBM50448125 CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F
BDBM50448126 CNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
BDBM50448127 CCNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
BDBM50437051 CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1
BDBM50437052 CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437055 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437056 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1
BDBM50437057 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1
BDBM50437058 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1
BDBM50437059 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1
BDBM50437061 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1
BDBM50437062 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1
BDBM50437063 COc1ccc2NC(=O)\C(=C/c3[nH]c4CCN(Cc4c3Cl)C(C)=O)c2c1
BDBM50437064 COc1ccc2N(C)C(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437065 COc1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCCN)c3C)c2c1
BDBM185426 CC1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM41574 CNC(=O)c1cccc(c1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM50057034 COc1ccc(OC)c(Sc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
BDBM50057038 COc1ccc(OC)c(Sc2ccc3nnc(-c4ccsn4)n3n2)c1
BDBM60652 CNc1nc(Nc2ccc(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
BDBM60656 CNc1nc(Nc2c(OC)cc(cc2C(F)(F)F)C#N)ncc1C(F)(F)F
BDBM50057223 COc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1
BDBM50057228 COc1ccc(OC)c(Sc2ccc3nnc(-c4cnn(C)c4)n3c2)c1
BDBM50057240 COc1ccc(OC)c(Cc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
BDBM50057249 COc1ccccc1Sc1ccc2nnc(-c3ccccc3)n2n1
BDBM50057254 COc1ccc(OC)c(Sc2ccc3nnc(C4CC4)n3n2)c1
BDBM50057257 COc1ccc(OC)c(Sc2ccc3nnc(-c4ccncc4)n3n2)c1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM60657 CNc1nc(Nc2ccc(cc2OC)C#N)ncc1Cl
BDBM50094872 OCCNC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
BDBM185385 COCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM185459 Cc1nc(no1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185512 Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM60653 CNc1nc(Nc2ccc(cc2OC)S(C)(=O)=O)ncc1Cl
BDBM185388 FC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185392 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3cc[nH]n3)c12
BDBM60654 CNc1nc(Nc2cc(F)c(cc2OC)C#N)ncc1C(F)(F)F
BDBM50073813 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC(CC3)N3CCCCC3)nc12
BDBM50073840 CN1Cc2ccccc2N(C)c2nc(Nc3ccc(cc3Cl)C(=O)N3CCC(CC3)N3CCCCC3)ncc12
BDBM50073879 CN1c2ccccc2C(=O)N(C)c2cnc(Cl)nc12
BDBM50073907 CN1Cc2ccccc2N(C)c2nc(Cl)ncc12
BDBM50073919 Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073920 Clc1cc(ccc1Nc1ncccn1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073921 Clc1cc(ccc1Nc1cncnc1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073923 Clc1cc(ccc1Nc1ccccn1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073925 Clc1cc(ccc1Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073926 COc1ccccc1Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073928 COc1cccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)c1
BDBM50073929 [O-][N+](=O)c1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
BDBM50073932 CC(=O)Nc1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
BDBM50073933 Clc1cc(ccc1NCc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073935 [O-][N+](=O)c1ccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
BDBM50073936 Cc1ccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
BDBM50073938 Clc1cc(ccc1NC1CCCCC1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073939 Cn1cccc1CNc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50059659 COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
BDBM50026586 Cc1cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc(C)c1O
BDBM50026589 Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1Br
BDBM50026593 Clc1ccc2NC(=O)\C(=C\c3ccccc3)c2c1
BDBM50059259 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059277 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059281 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059282 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4CCOC4C3)c12
BDBM50059290 Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50057244 COc1ccc(OC)c(Oc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50059294 Cc1nc(no1)[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059301 CN(C)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059309 N#CCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059310 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccno3)c12
BDBM50059311 C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059312 Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059313 Cn1ccc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059314 N#Cc1cccc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059316 Fc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM50075732 N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1cc2ccccc2[nH]1 |r|
BDBM50075733 COc1cccc2[nH]c(cc12)-c1nc(N[C@@H]2CCOC[C@@H]2N)cnc1C(N)=O |r|
BDBM50059317 Fc1ccc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059345 Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059346 COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059348 CCN(CC)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059349 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC3)c12
BDBM50059350 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
BDBM50059353 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
BDBM50059368 C[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM50059416 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnccn3)c12
BDBM50059417 N#Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059418 N#Cc1cc(ccn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059420 COCC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059422 COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059423 CN1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059424 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4COCC4C3)c12
BDBM50059425 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4(COC4)C3)c12
BDBM50059426 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCOCC3)c12
BDBM182716 CNc1nc(Nc2cc(C)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
BDBM50073924 Clc1cc(ccc1Nc1cccnc1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073927 [O-][N+](=O)c1ccccc1Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073931 Cc1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1
BDBM50073934 COc1cccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)c1
BDBM50073937 CCCNc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50073940 Clc1cc(ccc1NC(=O)c1ccc[nH]1)C(=O)N1CCC(CC1)N1CCCCC1
BDBM50026584 Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1Br
BDBM50026585 COc1c(C)cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1C
BDBM50026587 COc1c(Br)cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1Br
BDBM50026588 Oc1c(F)cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1F
BDBM50026590 Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
BDBM50026591 COc1cc(\C=C2\C(=O)Nc3ccc(Cl)cc23)ccc1OCCN1CCOCC1
BDBM50026592 CN(C)CCOc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
BDBM50026594 Clc1ccc2NC(=O)\C(=C\c3ccc(OCCN4CCOCC4)cc3)c2c1
BDBM50026595 CC(=O)Nc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1
BDBM50026596 Oc1c(Br)cc(\C=C2\C(=O)Nc3ccc(cc23)-c2ccccc2)cc1Br
BDBM50026597 COc1ccc2NC(=O)\C(=C\c3cc(Br)c(O)c(Br)c3)c2c1
BDBM50075731 N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
BDBM50057026 COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50057027 Cn1cc(cn1)-c1nnc2ccc(Sc3cc(Cl)ccc3Cl)nn12
BDBM50057031 COc1ccc(Cl)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1
BDBM50057032 COc1ccc(cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1)C#N
BDBM182725 CNc1nc(Nc2cc(F)c(cc2OC)N2CCCCC2=O)ncc1C(F)(F)F
BDBM182726 CNc1nc(Nc2cc(F)c(cc2OC)C2COC2)ncc1C(F)(F)F
BDBM182727 CCNc1nc(Nc2cc(C)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
BDBM182728 CCS(=O)(=O)c1cc(OC)c(Nc2ncc(c(NC)n2)C(F)(F)F)cc1C
BDBM50057033 COc1ccc(OC)c(Sc2ccc3nnc(-c4cn(C)nc4C)n3n2)c1
BDBM50057035 COc1ccc(OC)c(Sc2ccc3nnc(-c4ccn(C)n4)n3n2)c1
BDBM50057036 COc1ccc(OC)c(Sc2ccc3nnc(-c4cncs4)n3n2)c1
BDBM50057058 COc1ccc(OC)c(Sc2ccc3nnc(-c4ccon4)n3n2)c1
BDBM50057115 COc1ccc(OC)c(Sc2ccc3nnc(-c4cncc(OC)c4)n3n2)c1
BDBM50057144 COc1ccc(OC)c(Sc2ccc3nnc(-c4cccnc4)n3n2)c1
BDBM50057149 COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccn4)n3n2)c1
BDBM50057219 COc1ccc(OC)c(Sc2ccn3nc(C)c(-c4cnn(C)c4)c3n2)c1
BDBM50057220 COc1ccc(OC)c(Sc2ccc3nc(C)c(-c4cnn(C)c4)n3n2)c1
BDBM50057221 COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3c2)c1
BDBM50057222 COc1ccc(OC)c(Sc2ccc3ncn(-c4cnn(C)c4)c3n2)c1
BDBM50057224 COc1ccc(OC)c(Sc2ccn3ncc(-c4cnn(C)c4)c3n2)c1
BDBM50057229 COc1ccc(OC)c(Sc2cc(C)c3nnc(-c4cnn(C)c4)n3n2)c1
BDBM50057230 COc1ccc(OC)c(Sc2nn3c(nnc3cc2C)-c2cnn(C)c2)c1
BDBM50057231 COc1ccc(OC)c(c1)N(C)c1ccc2nnc(-c3cnn(C)c3)n2n1
BDBM50057234 COc1ccc(OC)c(c1)C(F)(F)c1ccc2nnc(-c3cnn(C)c3)n2n1
BDBM182730 CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C(F)(F)F
BDBM182731 CCNc1nc(Nc2ccc(c3OCCOc23)S(C)(=O)=O)ncc1C(F)(F)F
BDBM50057236 COc1ccc(OC)c(c1)C(=O)c1ccc2nnc(-c3cnn(C)c3)n2n1
BDBM50057237 COc1ccc(OC)c(c1)C(O)c1ccc2nnc(-c3cnn(C)c3)n2n1
BDBM50057241 COc1ccc(OC)c(Oc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
BDBM50057243 COc1ccc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50057245 COc1cc(Sc2ccc3nnc(-c4cnn(C)c4)n3n2)c(OC)nn1
BDBM50057247 COc1ccc(cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1)C(C)C
BDBM50057248 COc1cccc(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
BDBM50057250 COc1ccc(OC)c(Sc2ccc3nnc(Cc4cnn(C)c4)n3n2)c1
BDBM50057251 COc1ccc(OC)c(Sc2ccc3nnc(C4CCN(C)C4)n3n2)c1
BDBM50057253 COc1ccc(OC)c(Sc2ccc3nnc(C4CCOC4)n3n2)c1
BDBM50057256 COc1ccc(OC)c(Sc2ccc3nnc(-c4cnccn4)n3n2)c1
BDBM50057226 COc1ccc(OC)c(Sc2ccc3ncc(-c4cnn(C)c4)n3n2)c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM182700 COc1nc(Nc2ccc(cc2Cl)S(C)(=O)=O)ncc1Cl
BDBM182701 CNc1nc(Nc2ccc(cc2Cl)S(C)(=O)=O)ncc1C(F)(F)F
BDBM182702 CNc1nc(Nc2ccc(cc2Cl)S(C)(=O)=O)ncc1Cl
BDBM182703 CNc1nc(Nc2ccc(CN3CCOCC3)cc2OC)ncc1C(F)(F)F
BDBM182704 CNc1nc(Nc2cc(C)c(cc2Cl)C#N)ncc1C(F)(F)F
BDBM182705 CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C#N
BDBM182706 CCNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OC)ncc1C#N
BDBM182707 CNc1nc(Nc2cc(C)c(cc2OC)C#N)ncc1C(F)(F)F
BDBM182708 CNc1nc(Nc2ccc(CN3CCOCC3)cc2OCCF)ncc1Cl
BDBM182709 CNc1nc(Nc2ccc(cc2OC(C)C)S(C)(=O)=O)ncc1C(F)(F)F
BDBM182710 CNc1nc(Nc2ccc(cc2OCCF)S(C)(=O)=O)ncc1Cl
BDBM182711 COc1nc(Nc2ccc(cc2OCCF)S(C)(=O)=O)ncc1Cl
BDBM182712 CNc1nc(Nc2ccc(cc2OCCF)S(C)(=O)=O)ncc1C(F)(F)F
BDBM182713 CNc1nc(Nc2cc(Cl)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
BDBM182714 CNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OCCF)ncc1C(F)(F)F
BDBM182715 CCNc1nc(Nc2cc(F)c(CN3CCOCC3)cc2OCCF)ncc1C(F)(F)F
BDBM50059284 N#CC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059307 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM50059318 Fc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM50059347 C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM50059421 COC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM182717 CNc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
BDBM182718 CNc1nc(Nc2ccc(cc2OC)C(O)=O)ncc1Cl
BDBM182719 CNc1nc(Nc2ccc(cc2OC)S(=O)(=O)N2CCOCC2)ncc1C(F)(F)F
BDBM182720 CNc1nc(Nc2ccc(cc2OC)C(F)(F)F)ncc1C(F)(F)F
BDBM182721 CNc1nc(Nc2ccc(cc2OC)C(F)(F)F)ncc1Cl
BDBM182722 CNc1nc(Nc2cc(Cl)c(cc2OC)C(O)=O)ncc1Cl
BDBM182723 CNc1nc(Nc2cc(F)c(cc2OC)N2CCCC2=O)ncc1C(F)(F)F
BDBM182724 CNc1nc(Nc2cc(F)c(cc2OC)N2CCOCC2=O)ncc1C(F)(F)F
BDBM185425 CN(C)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185427 CN(C)c1ncnc2[nH]cc(-c3cc(ccc3F)[N+]#[C-])c12
BDBM185429 CN(C)c1ncnc2[nH]cc(-c3cc(F)cc(c3)C#N)c12
BDBM185476 NC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185477 FC(F)c1nc(CC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)no1
BDBM185478 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3nccs3)c12
BDBM185479 O=C1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185480 OCC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185481 Oc1cccc(c1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185574 CN(C)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
BDBM185575 FC(F)c1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(c1)C#N
BDBM185576 C1CC=C(CO1)c1c[nH]c2ncnc(N3CCOCC3)c12 |c:2|
BDBM185577 C1COC=C(C1)c1c[nH]c2ncnc(N3CCOCC3)c12 |c:3|
BDBM185578 C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)-c3ncon3)c12
BDBM185579 Cc1cc(on1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185482 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3noc(n3)C3CC3)c12
BDBM185483 FC1(F)CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185484 N#Cc1cccc(OCC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)c1
BDBM185485 OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185486 NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185487 CCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185488 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccncn3)c12
BDBM185489 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3nc(no3)C3CC3)c12
BDBM185490 CN(C)CC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM50059295 Cc1nc(no1)[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185491 N#Cc1cccc(c1)-c1c[nH]c2ncnc(Nc3cn[nH]c3)c12
BDBM185492 Cc1nc(CC2CN(CCO2)c2ncnc3[nH]cc(-c4cccc(c4)C#N)c23)no1
BDBM185493 Cc1nnc(o1)C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185494 COc1cc(cc(c1)-c1c[nH]c2ncnc(N(C)C)c12)C#N
BDBM185495 CCn1cc(cn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185496 Clc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185497 COc1cncc(n1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185498 Cc1nn(C)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185499 C[C@H]1COCCN1c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185500 Cc1nc(N2CCOCC2)c2c(c[nH]c2n1)-c1cccc(C#N)c1F
BDBM185501 O[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185502 OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12
BDBM185503 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOC(C3)c3noc(C)n3)c12
BDBM185504 FC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185505 COc1ccccc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185506 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185508 Cc1cncc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185509 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185510 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185511 COc1ccccc1-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185370 CC1(C)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185371 NC(=O)C1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185513 COCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185514 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC3)c12
BDBM185515 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12 |r|
BDBM185372 O[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185373 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12 |r|
BDBM185374 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185375 C1CCN(C1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185376 OCC1CCN(CC1)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185377 OCc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)[N+]#[C-])c12
BDBM185378 [C-]#[N+]C1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185519 COc1ccccc1-c1c[nH]c2ncnc(N(C)C)c12
BDBM185521 COc1ccccc1-c1c[nH]c2ncnc(N3CC[C@H](F)C3)c12 |r|
BDBM185522 COc1ccccc1-c1c[nH]c2ncnc(N3CCCC3)c12
BDBM185523 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N(C)C)c12
BDBM185524 OC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185525 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12 |r|
BDBM185380 COc1ccc(cc1-c1c[nH]c2ncnc(N3CCCC(C)C3)c12)[N+]#[C-]
BDBM185381 COc1ccc(cc1-c1c[nH]c2ncnc(N(C)C)c12)[N+]#[C-]
BDBM185379 C[C@H]1C[C@@H](C)CN(C1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185382 COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N(C)C)c12
BDBM185383 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC(CC3)c3ncc[nH]3)c12
BDBM185384 CN1CCC2(CC1)CN(CCO2)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185432 Fc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
BDBM185433 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
BDBM185526 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 |r|
BDBM185527 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
BDBM185528 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(F)c3)c12 |r|
BDBM185529 COc1ccc(F)cc1-c1c[nH]c2ncnc(N(C)C)c12
BDBM185530 Fc1c(cccc1-c1c[nH]c2ncnc(N3CCCC3)c12)C#N
BDBM185531 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CC[C@H](F)C3)c12 |r|
BDBM185532 Cc1nc(no1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12
BDBM185386 CN(C)C(=O)CCNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185387 FC1(F)CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185390 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCC(CC3)c3cc[nH]n3)c12
BDBM185391 F[C@H]1CCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 |r|
BDBM185434 N#Cc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185435 Fc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185436 COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185437 Fc1ccc(F)c(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185438 Fc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
BDBM185439 Fc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185440 OCc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1F
BDBM185534 Cc1ccnc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185535 COc1cccc(F)c1-c1c[nH]c2ncnc(N(C)C)c12 |(4.3,-1.64,;2.81,-1.24,;2.41,.25,;3.5,1.34,;3.1,2.83,;1.61,3.23,;.53,2.14,;-.96,2.54,;.92,.65,;-.17,-.44,;.74,-1.69,;-.17,-2.93,;-1.63,-2.46,;-2.96,-3.23,;-4.3,-2.46,;-4.3,-.92,;-2.96,-.15,;-2.96,1.39,;-1.63,2.16,;-4.3,2.16,;-1.63,-.92,)|
BDBM185536 COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(4.3,-2.26,;2.81,-1.86,;2.41,-.37,;3.5,.72,;3.1,2.2,;1.61,2.6,;.53,1.51,;-.96,1.91,;.92,.02,;-.17,-1.06,;.74,-2.31,;-.17,-3.56,;-1.63,-3.08,;-2.96,-3.85,;-4.3,-3.08,;-4.3,-1.54,;-2.96,-.77,;-2.96,.77,;-4.3,1.54,;-4.3,3.08,;-2.96,3.85,;-1.63,3.08,;-1.63,1.54,;-1.63,-1.54,)|
BDBM185538 Cc1cc(sn1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185393 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)c3cc[nH]n3)c12
BDBM185394 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC(C3)c3ncc[nH]3)c12
BDBM185395 CN1CCCC(C1)Nc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185396 O=C1CC2(CN1)CCCN(C2)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185397 CC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185441 Fc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c(F)c1
BDBM185442 Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185443 Fc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185444 COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185445 Clc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185446 Cc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185447 OCc1cc(ccc1F)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185539 COc1ccc(F)c(Cl)c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(4.3,-2.38,;2.81,-1.98,;2.41,-.49,;3.5,.6,;3.1,2.08,;1.61,2.48,;1.22,3.97,;.53,1.39,;-.74,1.73,;.92,-.09,;-.17,-1.18,;.74,-2.43,;-.17,-3.68,;-1.63,-3.2,;-2.96,-3.97,;-4.3,-3.2,;-4.3,-1.66,;-2.96,-.89,;-2.96,.65,;-4.3,1.42,;-4.3,2.96,;-2.96,3.73,;-1.63,2.96,;-1.63,1.42,;-1.63,-1.66,)|
BDBM185544 Cc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185398 N#Cc1cccc(c1)-c1c[nH]c2ncnc(NCCN3CCOCC3)c12
BDBM185399 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC4(CCOC4)C3)c12
BDBM185400 CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185401 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4[nH]ncc4c3)c12 |r|
BDBM185402 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)S(N)(=O)=O)c12 |r|
BDBM185403 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccccc3F)c12 |r|
BDBM185448 Fc1ccc(cc1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185449 OCc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185450 COc1ccccc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185451 CSc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185452 C1CN(CCO1)c1ncnc2[nH]cc(-c3cccnc3)c12
BDBM185453 C1CN(CCO1)c1ncnc2[nH]cc(-c3cncc4ccccc34)c12
BDBM185454 Brc1cncc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185545 O=c1cc(cc[nH]1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185546 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnc4sccn34)c12
BDBM185547 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3C[C@@H]4CCO[C@@H]4C3)c12 |r|
BDBM185548 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3C[C@@H]4COC[C@@H]4C3)c12 |r|
BDBM185549 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCO[C@H]4CCC[C@@H]34)c12 |r|
BDBM185550 [C-]#[N+]C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185551 CC1(C)CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185404 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc4[nH]ncc34)c12 |r|
BDBM185405 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc(F)c(C)c3)c12 |r|
BDBM185406 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4C(=O)NCc4c3)c12 |r|
BDBM185407 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccnc3)c12 |r|
BDBM185408 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cncc(C)c3)c12 |r|
BDBM185409 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc4[nH]ccc4c3)c12 |r|
BDBM185410 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc4CNC(=O)c4c3)c12 |r|
BDBM185455 Cc1ccc(Cl)c(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185456 Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185457 OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185458 Cc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185460 N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CC4CC(C3)O4)c12
BDBM185461 Clc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185552 N#Cc1ccc(s1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185553 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnc4cccnn34)c12
BDBM185556 NC(=O)c1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185557 C1CN(CCO1)c1ncnc2[nH]cc(-c3cnn4cccnc34)c12
BDBM185558 Cn1cc(cc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185411 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cnc4cc[nH]c4c3)c12 |r|
BDBM185412 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(O)cc3)c12 |r|
BDBM185413 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3ccc(cc3)C(N)=O)c12 |r|
BDBM185414 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(O)c3)c12 |r|
BDBM185415 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cc(C)cnc3Cl)c12 |r|
BDBM185416 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C(N)=O)c12 |r|
BDBM185417 FC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185462 COc1ccc(cc1-c1c[nH]c2ncnc(N3CCOCC3)c12)[N+]#[C-]
BDBM185463 COc1ccc(Cl)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185464 Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cnn(C)c1
BDBM185465 COc1cc(cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
BDBM185466 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCSCC3)c12
BDBM185467 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
BDBM185468 C[C@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185559 Cc1nc2sccn2c1-c1c[nH]c2ncnc(N3CCOCC3)c12 |(-1.37,2.52,;-.04,1.75,;1.21,2.66,;2.45,1.75,;3.99,1.75,;4.47,.29,;3.22,-.62,;1.98,.29,;.44,.29,;-.33,-1.05,;.57,-2.29,;-.33,-3.54,;-1.8,-3.06,;-3.13,-3.83,;-4.47,-3.06,;-4.47,-1.52,;-3.13,-.75,;-3.13,.79,;-1.8,1.56,;-1.8,3.1,;-3.13,3.87,;-4.47,3.1,;-4.47,1.56,;-1.8,-1.52,)|
BDBM185560 Cn1cc(nc1C#N)-c1c[nH]c2ncnc(N3CCOCC3)c12
BDBM185418 CC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185419 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C(O)=O)c12 |r|
BDBM185420 CNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185421 COc1ccc(cc1-c1c[nH]c2ncnc(N3C[C@@H](C)C[C@@H](C)C3)c12)C#N |r|
BDBM185422 COc1ccc(cc1-c1c[nH]c2ncnc(N3CCC[C@H](C)C3)c12)C#N |r|
BDBM185423 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 |r|
BDBM185424 CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
BDBM185469 C[C@@H]1CN(CCO1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12 |r|
BDBM185470 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCCC(F)C3)c12
BDBM185471 Cn1cc(cn1)-c1c[nH]c2ncnc(N3CCOC(CO)C3)c12
BDBM185472 Cc1ccc(OCC2CN(CCO2)c2ncnc3[nH]cc(-c4cnn(C)c4)c23)cn1
BDBM185473 CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
BDBM185474 CN(C1CC1)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
BDBM185475 FC1(F)CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
BDBM185570 Cc1[nH]c2ncnc(N3CCOCC3)c2c1-c1cccc(c1)C#N
BDBM185571 C[C@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
BDBM185572 C1CN(CCO1)c1ncnc2[nH]cc(-c3cn[nH]c3)c12
BDBM185573 Cc1nc(N2CCOCC2)c2c(c[nH]c2n1)-c1cccc(c1)C#N
BDBM196820 CCNc1nc(Nc2cnn3CCOC(C)c23)ncc1C(F)(F)F
BDBM196746 CNc1nc(Nc2cnn(CC(C)c3ccn(C)n3)c2C)ncc1C(F)(F)F
BDBM196822 CNc1nc(Nc2cnn3CC(C)OC(C)c23)ncc1C(F)(F)F
BDBM196818 CNc1nc(Nc2cnn3c2C(C)OCC3(C)C)ncc1C(F)(F)F
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM223542 Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc2[nH]ccc2c1
BDBM223543 CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
BDBM223544 CN1CCC(CC1)c1nnc(o1)-c1cc(cnc1N)-c1ccc(C)cc1
BDBM223545 CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CCNCC1
BDBM223546 Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc(CN2CCOCC2)cc1
BDBM223547 COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCNCC1
BDBM223548 COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCN(C)CC1
BDBM223549 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
BDBM223550 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2N(C)CCc2c1
BDBM223551 CC(C)n1cc(nn1)-c1nc(cnc1N)-c1ccc2N(C)CCc2c1
BDBM223552 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
BDBM223553 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1
BDBM223554 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
BDBM223555 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)c(F)c1
BDBM223556 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(C(=O)N2CCOCC2)c(F)c1
BDBM223557 COc1cc(ccc1C(=O)N1CCOCC1)-c1cnc(N)c(c1)-c1cn(nn1)C(C)C
BDBM223558 COc1cc(ccc1CN1CCOCC1)-c1cnc(N)c(c1)-c1cn(nn1)C(C)C
BDBM223559 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(F)c(CN2CCOCC2)c1
BDBM223560 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(C(=O)N2CCOCC2)c(C)c1
BDBM223561 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)c(C)c1
BDBM223562 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(C(=O)N2CCOCC2)c(Cl)c1
BDBM223563 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)c(Cl)c1
BDBM223564 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cccc(CN2CCOCC2)c1
BDBM223565 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cccc(c1)C(=O)N1CCOCC1
BDBM223566 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cc(Cl)cc(c1)C(=O)N1CCOCC1
BDBM223567 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cc(Cl)cc(CN2CCOCC2)c1
BDBM223568 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCOCC1
BDBM223569 Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1cccc(CN2CCOCC2)c1
BDBM223570 CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CC(=O)N2CCOCC2)cc1
BDBM50109533 CN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM196725 Cc1c(Nc2ncc(C#N)c(NC3CC3)n2)cnn1C1CCOCC1
BDBM196729 CCNc1nc(Nc2cnn(C3CCOCC3)c2Cl)ncc1C#N
BDBM196731 CNc1nc(Nc2cn(nc2C)C(C)(C)CO)ncc1C(F)(F)F
BDBM196732 CNc1nc(Nc2cnn(CC3(O)CC3)c2Cl)ncc1C(F)(F)F
BDBM196733 CCn1cnnc1C(C)(C)n1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(Cl)n1
BDBM196735 CNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
BDBM196736 CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(CC)n2)ncc1C(F)(F)F
BDBM196737 CNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
BDBM196738 CNc1nc(Nc2cn(nc2C)C(C)(C)c2nc(C)cn2C)ncc1C(F)(F)F
BDBM196739 CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncc(C)n2C)ncc1C(F)(F)F
BDBM196740 CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncc(C)o2)ncc1C(F)(F)F
BDBM196741 CCNc1nc(Nc2cn(nc2C)C2(C)COC2)ncc1C(F)(F)F
BDBM196742 CCNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
BDBM196743 CNc1nc(Nc2cn(nc2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
BDBM196744 CNc1nc(Nc2cnn(c2C)S(=O)(=O)CCOC)ncc1C(F)(F)F
BDBM196745 CCNc1nc(Nc2cnn(c2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
BDBM196748 CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncccn2)ncc1C(F)(F)F
BDBM196749 CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2nnc(C)o2)ncc1C(F)(F)F
BDBM196751 CCNc1nc(Nc2cn(nc2C)C(C)(C)c2nnc(CC)o2)ncc1C(F)(F)F
BDBM196752 CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(n2)C(C)C)ncc1C(F)(F)F
BDBM196753 CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2nncn2C)ncc1C(F)(F)F
BDBM196754 CCNc1nc(Nc2cn(nc2Cl)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
BDBM196755 CNc1nc(Nc2cnn(CCc3ccn(C)n3)c2C)ncc1C(F)(F)F
BDBM196756 CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
BDBM196757 CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccnn2C)ncc1C(F)(F)F
BDBM196758 CNc1nc(Nc2cn(CCc3ccn(C)n3)nc2C)ncc1C(F)(F)F
BDBM196759 CNc1nc(Nc2cn(nc2C)C2CCOC[C@H]2F)ncc1C(F)(F)F |r|
BDBM196761 CNc1nc(Nc2cnn(C3CCOC[C@H]3F)c2C)ncc1C(F)(F)F |r|
BDBM196762 CNc1nc(Nc2cnn(C3CCOC[C@@H]3F)c2C)ncc1C(F)(F)F |r|
BDBM196763 CNc1nc(Nc2cn(nc2C)C(C)(C)CC#N)ncc1C(F)(F)F
BDBM196764 CCC(Cn1cc(Nc2ncc(c(NC)n2)C(F)(F)F)c(C)n1)C#N
BDBM196766 CNc1nc(Nc2cc(nn2C)C(C)(C)C#N)ncc1C(F)(F)F
BDBM196767 Cc1nn(cc1Nc1ncc(C#N)c(NC2CC2)n1)C(C)(C)C#N
BDBM196771 CCNc1nc(Nc2cc(nn2C)C#N)ncc1C(F)(F)F
BDBM50094871 [O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]c(=O)[nH]c2c1)C#N
BDBM50094873 CC(N1CCOCC1)c1ccc(NC(=O)c2cc([nH]n2)C2CC2)cc1
BDBM196810 CNc1nc(Nc2cnn3CCCCc23)ncc1C(F)(F)F
BDBM196812 CNc1nc(Nc2cnn3CCN(C)[C@@H](C)c23)ncc1C(F)(F)F |r|
BDBM196813 CNc1nc(Nc2cnn3CCN(C)[C@H](C)c23)ncc1C(F)(F)F |r|
BDBM196814 CCNc1nc(Nc2cnn3CCN(C)[C@@H](C)c23)ncc1C(F)(F)F |r|
BDBM196815 CCNc1nc(Nc2cnn3CCN(C)[C@H](C)c23)ncc1C(F)(F)F |r|
BDBM196816 C[C@@H]1N(C)CCn2ncc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)c12 |r|
BDBM196817 C[C@H]1N(C)CCn2ncc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)c12 |r|
BDBM196826 CCNc1nc(Nc2cnn3CC(C)(C)OCc23)ncc1C(F)(F)F
BDBM196827 CNc1nc(Nc2cnn3CCCc23)ncc1C(F)(F)F
BDBM196828 CNc1nc(Nc2cnn3CCN(C)c23)ncc1C(F)(F)F
BDBM196829 CNc1nc(Nc2cnn3CCN(C)Cc23)ncc1C(F)(F)F
BDBM196830 CNc1nc(Nc2cnn3CCOC4(COC4)c23)ncc1C(F)(F)F
BDBM196833 CNc1nc(Nc2cc3COCCn3n2)ncc1C(F)(F)F
BDBM234860 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)C=C)c3)c2cc1OC
BDBM234862 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(C)C)c3)c2cc1OC
BDBM234863 COc1cc2ncnc(Nc3cccc(NS(C)(=O)=O)c3)c2cc1OC
BDBM234865 CCCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
BDBM234866 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c2cc1OC
BDBM234867 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)c4cccs4)c3)c2cc1OC
BDBM234868 COc1cc2ncnc(Nc3cccc(NS(=O)(=O)CC(F)(F)F)c3)c2cc1OC
BDBM234869 CCS(=O)(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
BDBM50166071 CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1cccc(F)c1
BDBM50166072 CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)c1ccc(F)cc1
BDBM50166073 CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1cccnc1 |r|
BDBM50166074 COCC1Cc2c(sc(SC)c2C(=O)N1)-c1cc[nH]n1
BDBM50166075 CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C1CCC1
BDBM50165981 CSc1sc(-c2cc[nH]n2)c2CC(C)NC(=O)c12
BDBM50166070 CSc1sc(-c2cc[nH]n2)c2C[C@H](NC(=O)c12)c1ccccc1 |r|
BDBM239195 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1
BDBM239194 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCS(=O)CC3)c2c1
BDBM239192 CO[C@H]1CN(C[C@@H]1O)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12 |r|
BDBM62320 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccnc1
BDBM106150 COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
BDBM106153 COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
BDBM239238 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@@H]4C[C@H]3CO4)c2c1 |r|
BDBM254918 COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM254919 Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM254920 CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM254921 N#Cc1c[nH]c2nccc(-c3ccsc3)c12
BDBM254922 N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12
BDBM254923 N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
BDBM254924 Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
BDBM254925 CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
BDBM254926 CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
BDBM254927 COc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
BDBM254928 Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
BDBM254929 Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
BDBM254930 Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
BDBM254931 Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM254932 Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM254933 Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
BDBM254934 N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12
BDBM254935 Cc1cncc(c1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
BDBM254936 Cc1ccnc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
BDBM254937 Cc1cn(C)nc1Nc1cc(-c2cccc(C)n2)c2c(c[nH]c2n1)C#N
BDBM254938 Cc1cccc(n1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
BDBM254939 Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM254940 Cc1cn(C)nc1Nc1cc(-c2ccnc(C)c2)c2c(c[nH]c2n1)C#N
BDBM239080 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239081 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
BDBM239082 CCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239083 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@H](C)C3)c2c1 |r|
BDBM239084 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239085 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)CC3)c2c1
BDBM239086 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)S(C)(=O)=O
BDBM239087 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCNC4=O)CC3)c2c1
BDBM239088 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](C)O[C@H](C)C1 |r|
BDBM239089 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |r|
BDBM239090 COCCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239255 COCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239256 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
BDBM239259 COc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1 |r|
BDBM239260 COc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239398 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCCC(C)(O)C3)c2c1
BDBM239399 C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239400 CO[C@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239401 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCS(=O)CC3)c2c1
BDBM239402 C[C@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239403 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1 |r|
BDBM239469 N#Cc1cc(ccn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239470 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccc2ncnn2c1
BDBM239471 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccncc1
BDBM239472 Cc1noc(C)c1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239473 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cncnc1
BDBM239474 N#Cc1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239343 CC(C)NC(=O)CN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239344 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)c3ccco3)c2c1
BDBM239345 CCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239346 COC1CCCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239347 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)=O)c2c1
BDBM239261 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
BDBM239262 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)=O)c2c1
BDBM239263 COc1ccc2[nH]nc(-c3cc(ncn3)N3CC4CCC(C3)O4)c2c1
BDBM239264 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)CC3)c2c1
BDBM239265 CCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC)cc12
BDBM239266 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1
BDBM239475 N#Cc1cccc(c1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239476 CCN(CC)C(=O)c1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239477 O=S(=O)(N1CCCC1)c1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239478 COc1cnc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239479 COc1cncc(n1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239480 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccc2nncn2c1
BDBM239348 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)C3CCCO3)c2c1
BDBM239349 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)c3ncccn3)c2c1
BDBM239350 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(CC3)C#N)c2c1
BDBM239351 COC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239352 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(C3)n3ccnc3)c2c1
BDBM239353 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(O)(CC3)C(F)(F)F)c2c1
BDBM239267 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCNC(=O)C3)c2c1
BDBM239268 CCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC)cc12
BDBM239269 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@H](C)C3)c2c1 |r|
BDBM239270 COc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@@H](C)C3)c2c1 |r|
BDBM239271 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
BDBM239272 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239481 Cn1nccc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239482 COc1ncccc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239483 Cc1nocc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239484 COCCn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239485 COc1ccc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239486 OCCNC(=O)c1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239354 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCCC(C3)C(C)(C)O)c2c1
BDBM239355 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(CC3)n3cccn3)c2c1
BDBM239356 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(CF)C3)c2c1
BDBM239357 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(Cc4ccncc4)CC3)c2c1
BDBM239358 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)c3cnn(C)c3)c2c1
BDBM239359 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(CC3)C(C)(C)O)c2c1
BDBM239180 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOC4(CC4)C3)c2c1
BDBM239179 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1
BDBM239181 CN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239182 CN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239183 COCCNc1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239273 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1 |r|
BDBM239274 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)CC3)c2c1
BDBM239275 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1
BDBM239276 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCNC(=O)C3)c2c1
BDBM239277 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)C(=O)C3)c2c1
BDBM239278 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC)CC3)c2c1
BDBM239487 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccc2ncnn2c1 |r|
BDBM239488 COc1ncccc1-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239489 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccnn1C |r|
BDBM239490 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cncc(C)c1 |r|
BDBM239491 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1conc1C |r|
BDBM239492 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccncc1 |r|
BDBM239360 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCn4nc(nc4C3)C3CC3)c2c1
BDBM239361 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(CO)CC3)c2c1
BDBM239362 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)c3nncs3)c2c1
BDBM239364 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCn2ncnc2C1
BDBM239365 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@H](CF)C1 |r|
BDBM239184 COCCOC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239185 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CC4CCC(C3)O4)c2c1
BDBM239186 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239187 COC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239188 CC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239189 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCNC(=O)C3)c2c1
BDBM239190 CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239279 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC)C(=O)C3)c2c1
BDBM239493 COc1cnc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239494 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cncnc1 |r|
BDBM239495 COc1ccc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239496 COc1cncc(n1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239497 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccnc(c1)C#N |r|
BDBM239498 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnc(C)c(C)n1 |r|
BDBM239366 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCCC(F)(F)C1
BDBM239367 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@@H](CO)C1 |r|
BDBM239368 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@H](CO)C1 |r|
BDBM239369 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(F)C1
BDBM239370 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCCC(C)(O)C1
BDBM239371 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)CC1
BDBM239193 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC(C)(C)C3)c2c1
BDBM239404 Cc1nc2CN(CCc2o1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239405 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN4C(COC4=O)C3)c2c1
BDBM239406 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCCC4(CCO4)C3)c2c1
BDBM239407 CN(C)[C@H]1CN(C[C@@H]1O)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239408 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCS(=O)(=O)CC3)c2c1
BDBM239499 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnc(s1)N1CCCC1 |r|
BDBM239500 COCCn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239501 COc1cc(ccn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239502 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccc2nncn2c1 |r|
BDBM239503 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccc(cc1)C(=O)NCCO |r|
BDBM239280 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CC4CCC(C3)O4)c2c1
BDBM239281 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)=O)c2c1
BDBM239372 CN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1
BDBM239373 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCc2oncc2C1
BDBM239374 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)C1CC1
BDBM239375 C[C@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1 |r|
BDBM239376 C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1 |r|
BDBM239377 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@@H](F)[C@H](F)C1 |r|
BDBM239197 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC4CCC(C3)O4)c2c1
BDBM239196 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
BDBM239198 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)C(=O)C3)c2c1
BDBM239199 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1
BDBM239200 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC4(CC4)C3)c2c1
BDBM50165978 CSc1sc(-c2cc[nH]n2)c2C[C@@H](NC(=O)c12)c1ccccc1 |r|
BDBM50165979 CSc1sc(-c2cc[nH]n2)c2CC(NC(=O)c12)C(F)(F)F
BDBM50165980 CSc1sc(-c2cc[nH]n2)c2CC(Cc3ccccc3)NC(=O)c12
BDBM239409 CN(C)[C@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239410 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOC(C)(C)C3)c2c1
BDBM239411 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1
BDBM239412 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(C3)n3cccn3)c2c1
BDBM239413 CO[C@H]1CN(C[C@@H]1O)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239414 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(CO)CC3)c2c1
BDBM239504 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccc(cc1)C#N |r|
BDBM239505 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccc(c1)C#N |r|
BDBM239506 CCN(CC)C(=O)c1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239508 C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |r,wU:1.0,(5.92,-.1,;4.89,-1.25,;3.4,-.85,;2.31,-1.94,;2.71,-3.42,;4.2,-3.82,;5.29,-2.73,;.82,-1.54,;.42,-.05,;-1.06,.35,;-2.15,-.74,;-1.75,-2.23,;-.27,-2.63,;-1.46,1.83,;-.56,3.08,;-1.46,4.33,;-2.93,3.85,;-4.26,4.62,;-5.59,3.85,;-5.59,2.31,;-6.93,1.54,;-6.93,0,;-8.26,-.77,;-5.59,-.77,;-4.26,1.54,;-2.93,2.31,)|
BDBM239509 CC(C)=Cc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1 |(-8.26,-.77,;-6.93,0,;-5.59,-.77,;-6.93,1.54,;-5.59,2.31,;-5.59,3.85,;-4.26,4.62,;-2.93,3.85,;-1.46,4.33,;-.56,3.08,;-1.46,1.83,;-1.06,.35,;.42,-.05,;.82,-1.54,;-.27,-2.63,;-1.75,-2.23,;-2.15,-.74,;2.31,-1.94,;2.71,-3.42,;4.2,-3.82,;5.29,-2.73,;4.89,-1.25,;3.4,-.85,;6.77,-3.13,;7.17,-4.62,;7.17,-1.65,;8.26,-2.73,;-2.93,2.31,;-4.26,1.54,)|
BDBM239282 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@H](C)C3)c2c1 |r|
BDBM239283 CCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@@H](C)C3)c2c1 |r|
BDBM239284 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
BDBM239285 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239286 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1 |r|
BDBM239287 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)CC3)c2c1
BDBM239378 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCCC2(CCO2)C1
BDBM239379 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(C1)n1cccn1
BDBM239380 Cc1nc2CN(CCc2o1)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1
BDBM239381 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN2C(COC2=O)C1
BDBM239382 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(CC1)C#N
BDBM239383 CO[C@@H]1CN(C[C@H]1O)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1 |r|
BDBM239201 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3C)c2c1
BDBM239202 CCCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239203 COCCNc1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239204 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)C)c2c1
BDBM239205 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCNCC3)c2c1
BDBM239206 COCCN(C)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM50165982 CSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
BDBM50165983 CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccn(C)n1
BDBM50165984 CCCc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12
BDBM50165985 CC1(C)Cc2c(sc(OC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
BDBM50165986 CC1(C)Cc2c(sc(NC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
BDBM50165987 O=C1CCCc2c(sc(NC3CCCC3)c12)-c1cc[nH]n1
BDBM50165991 CC1(C)Cc2c(sc(SCc3ccccc3)c2C(=O)C1)-c1cc[nH]n1
BDBM50165992 CC1(C)Cc2c(sc(SCC3CC3)c2C(=O)C1)-c1cc[nH]n1
BDBM50165993 CC1(C)Cc2c(sc(SC3CCCC3)c2C(=O)C1)-c1cc[nH]n1
BDBM239415 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCCO)CC3)c2c1
BDBM239416 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)C3)c2c1
BDBM239417 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(CC3)C#N)c2c1
BDBM239418 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCc4nccnc4C3)c2c1
BDBM239420 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCn2ncnc2C1
BDBM239510 CN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |(7.52,-3.53,;6.03,-3.13,;4.94,-4.22,;3.45,-3.82,;3.05,-2.34,;4.14,-1.25,;5.63,-1.65,;1.57,-1.94,;1.17,-.45,;-.32,-.05,;-1.41,-1.14,;-1.01,-2.63,;.48,-3.03,;-.72,1.44,;.19,2.68,;-.72,3.93,;-2.18,3.45,;-3.52,4.22,;-4.85,3.45,;-4.85,1.91,;-6.18,1.14,;-6.18,-.4,;-7.52,-1.17,;-4.85,-1.17,;-3.52,1.14,;-2.18,1.91,)|
BDBM239511 CN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |(7.52,-3.53,;6.03,-3.13,;4.94,-4.22,;3.45,-3.82,;3.05,-2.34,;4.14,-1.25,;5.63,-1.65,;6.72,-.56,;1.57,-1.94,;1.17,-.45,;-.32,-.05,;-1.41,-1.14,;-1.01,-2.63,;.48,-3.03,;-.72,1.44,;.19,2.68,;-.72,3.93,;-2.18,3.45,;-3.52,4.22,;-4.85,3.45,;-4.85,1.91,;-6.18,1.14,;-6.18,-.4,;-7.52,-1.17,;-4.85,-1.17,;-3.52,1.14,;-2.18,1.91,)|
BDBM239512 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(C=C(C)C)cc12 |r,wU:5.5,1.0,(5.74,-4.97,;5.34,-3.48,;3.85,-3.08,;3.45,-1.59,;4.54,-.5,;6.03,-.9,;7.12,.19,;6.43,-2.39,;1.97,-1.19,;1.57,.29,;.08,.69,;-1.01,-.4,;-.61,-1.88,;.88,-2.28,;-.32,2.18,;.59,3.43,;-.32,4.67,;-1.78,4.2,;-3.12,4.97,;-4.45,4.2,;-4.45,2.66,;-5.78,1.89,;-5.78,.35,;-7.12,-.42,;-4.45,-.42,;-3.12,1.89,;-1.78,2.66,)|
BDBM239513 CC(C)=Cc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |(-6.77,-1.17,;-5.44,-.4,;-4.11,-1.17,;-5.44,1.14,;-4.11,1.91,;-4.11,3.45,;-2.77,4.22,;-1.44,3.45,;.03,3.93,;.93,2.68,;.03,1.44,;.42,-.05,;1.91,-.45,;2.31,-1.94,;1.22,-3.03,;-.27,-2.63,;-.66,-1.14,;3.8,-2.34,;4.2,-3.82,;5.68,-4.22,;6.77,-3.13,;6.37,-1.65,;4.89,-1.25,;-1.44,1.91,;-2.77,1.14,)|
BDBM239514 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccnc1
BDBM239289 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCNC(=O)C3)c2c1
BDBM239290 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)C(=O)C3)c2c1
BDBM239288 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1
BDBM239291 CCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OCCOC)cc12
BDBM239292 CCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OCCOC)cc12
BDBM239293 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@H](C)C3)c2c1 |r|
BDBM239384 CN(C)[C@@H]1CN(C[C@H]1O)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1 |r|
BDBM239385 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)(=O)CC1
BDBM239207 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@@H](C)C3)c2c1 |r|
BDBM239208 COCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239209 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(=O)C3CC3)c2c1
BDBM239210 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(=O)(=O)C3CC3)c2c1
BDBM239211 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)CC1
BDBM239212 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCOCC1
BDBM50165994 CC1(C)Cc2c(sc(c2C(=O)C1)S(C)(=O)=O)-c1cc[nH]n1
BDBM50165995 CSc1sc(-c2cc[nH]n2)c2CCCC(=O)c12
BDBM50165996 CC[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
BDBM50165997 CCCSc1sc(-c2cc[nH]n2)c2[C@@H](CC)CNC(=O)c12 |r|
BDBM50165998 C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r|
BDBM50165999 CCCSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
BDBM50166000 O=C1NCCc2c(sc(Sc3ccccc3)c12)-c1cc[nH]n1
BDBM50166001 O=C1NCCc2c(sc(SC3CC3)c12)-c1cc[nH]n1
BDBM50166002 O=C1NCCc2c(sc(SC3CCCCC3)c12)-c1cc[nH]n1
BDBM239421 COCC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239422 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCOC(C1)C(F)(F)F
BDBM239423 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)C1CCS(=O)(=O)C1
BDBM239424 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCn2nc(nc2C1C)C(F)(F)F
BDBM239425 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@H](CO)C1 |r|
BDBM239426 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@@H](CO)C1 |r|
BDBM239515 CS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccnc1
BDBM239517 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccoc1
BDBM239518 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccsc1
BDBM239519 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)C1=CCNCC1 |t:27|
BDBM239520 COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1
BDBM239294 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@@H](C)C3)c2c1 |r|
BDBM239295 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CC4CCC(C3)O4)c2c1
BDBM239296 COCCOc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)=O)c2c1
BDBM239297 COC[C@@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |r|
BDBM239298 COC[C@@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239299 COC[C@@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@H](C)C3)c2c1 |r|
BDBM239213 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCSC=C3)c2c1 |c:22|
BDBM239214 CCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239215 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C(C)C)C(=O)C3)c2c1
BDBM239216 CO[C@@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12 |r|
BDBM239217 CO[C@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12 |r|
BDBM239218 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)C(=O)C3)c2c1
BDBM50166003 O=C1NCCc2c(sc(SC3CCCC3)c12)-c1cc[nH]n1
BDBM50166004 CC(C)Sc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
BDBM50166005 CCCSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
BDBM50166010 CSc1sc(-c2cc[nH]n2)c2[C@H](Cc3ccccc3)CNC(=O)c12 |r|
BDBM50166011 CC[C@@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
BDBM50166012 CC[C@H]1CNC(=O)c2c(SC)sc(-c3cc[nH]n3)c12 |r|
BDBM50166013 CSc1sc(-c2cc[nH]n2)c2[C@H](C)CNC(=O)c12 |r|
BDBM50166014 CSc1sc(-c2cc[nH]n2)c2[C@@H](C)CNC(=O)c12 |r|
BDBM50166015 CSc1sc(-c2cc[nH]n2)c2CC3(CCCC3)NC(=O)c12
BDBM50166016 CSc1sc(-c2cc[nH]n2)c2CC3(CCC3)NC(=O)c12
BDBM239427 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(F)C1
BDBM239428 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)CC1
BDBM239429 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCc2oncc2C1
BDBM239430 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C2CCC1COC2 |TLB:16:20:25.26.27:22.23|
BDBM239431 COCC1CN(CCO1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239432 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(C1)n1cccn1
BDBM239521 CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1 |c:6|
BDBM239522 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cc[nH]n1
BDBM239523 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1
BDBM239524 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccoc1
BDBM239525 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccsc1
BDBM239526 Cc1ncc(s1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239300 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239301 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1 |r|
BDBM239302 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)CC3)c2c1 |r|
BDBM239303 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC4CCC(C3)O4)c2c1 |r|
BDBM239304 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCC(=O)N4)CC3)c2c1 |r|
BDBM239305 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CN(C)C(=O)C4)CC3)c2c1 |r|
BDBM239219 CCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239220 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](F)[C@@H](F)C1 |r|
BDBM239221 CCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239222 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCNC(=O)C1
BDBM239223 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCO[C@@H](C)C1 |r|
BDBM239224 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCO[C@H](C)C1 |r|
BDBM50166017 CSc1sc(-c2cc[nH]n2)c2CC3(CC3)NC(=O)c12
BDBM239433 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCc2oc(C)nc2C1
BDBM239434 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCOC(C)(C)C1
BDBM239435 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(CC1)C#N
BDBM239436 CO[C@H]1CN(C[C@@H]1O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12 |r|
BDBM239437 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](O)[C@H](C1)N(C)C |r|
BDBM239438 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)(=O)CC1
BDBM239527 CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:6|
BDBM239528 C1CC(=CCN1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:2|
BDBM239529 COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239530 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1
BDBM239531 Cc1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239532 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1
BDBM239306 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CNC(=O)C4)CC3)c2c1 |r|
BDBM239307 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@H](C3)OC)c2c1 |r|
BDBM239308 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](C3)OC)c2c1 |r|
BDBM239309 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCCO4)CC3)c2c1 |r|
BDBM239310 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCN(C)C4=O)CC3)c2c1 |r|
BDBM239311 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCNC4=O)CC3)c2c1 |r|
BDBM239225 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCOCC1C
BDBM239226 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](O)[C@@H](O)[C@@H]3C)c2c1 |r|
BDBM239227 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](N)C3)c2c1 |r|
BDBM239228 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@H](N)C3)c2c1 |r|
BDBM239229 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)C1CC1
BDBM239230 CCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239439 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(CO)CC1
BDBM239440 CCOC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239441 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@@H](C1)N(C)C |r|
BDBM239442 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CCCO)CC1
BDBM239443 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1[C@H](C)COC[C@H]1C |r|
BDBM239444 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1[C@@H](C)COC[C@H]1C |r|
BDBM239533 O=C1CCCC(=C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:5|
BDBM239534 Clc1cc(ccn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239535 Cc1n[nH]c(C)c1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239536 COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
BDBM239537 CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccs1
BDBM239538 CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccoc1
BDBM239312 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCO[C@H](C)C3)c2c1 |r|
BDBM239314 C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnccn1
BDBM239315 CS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnccn1
BDBM239317 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(O)CC3)c2c1
BDBM239231 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC2CCC(C1)O2
BDBM239232 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(CC3)C(O)=O)c2c1
BDBM239233 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCCO4)CC3)c2c1
BDBM239234 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)[C@@H](C)C1 |r|
BDBM239235 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)[C@H](C)C1 |r|
BDBM239236 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](N)C[C@@H]3C)c2c1 |r|
BDBM239446 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCn4ncnc4C3)c2c1 |r|
BDBM239447 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC[C@H]3C)c2c1 |r|
BDBM239448 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](CF)C3)c2c1 |r|
BDBM239449 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCCC(F)(F)C3)c2c1 |r|
BDBM239450 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC(C3)C(F)(F)F)c2c1 |r|
BDBM239539 COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)C)c2c1
BDBM239540 CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1
BDBM239541 CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1
BDBM239542 COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239543 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1 |r|
BDBM239318 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCO)CC3)c2c1
BDBM239319 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCCCC3)c2c1
BDBM239320 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC3)c2c1
BDBM239321 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCCC3)c2c1
BDBM239322 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1 |r|
BDBM239323 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](O)[C@H](C3)N(C)C)c2c1 |r|
BDBM239237 CCC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239239 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](O)[C@@H](N)[C@@H]3C)c2c1 |r|
BDBM239240 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)c1cnn(C)c1
BDBM239241 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](O)[C@@H](O)[C@@H]1C |r|
BDBM239242 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@@H](N)C1 |r|
BDBM239386 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(CO)CC1
BDBM239387 CN(C)[C@@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2cc(F)c(cc12)-c1cnn(C)c1 |r|
BDBM239388 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CCCO)CC1
BDBM239451 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@H](CO)C3)c2c1 |r|
BDBM239452 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](CO)C3)c2c1 |r|
BDBM239453 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)C3)c2c1 |r|
BDBM239454 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)C(=O)C3)c2c1 |r|
BDBM239455 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(C3)OC)c2c1 |r|
BDBM239456 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1 |r|
BDBM239544 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1 |r|
BDBM239545 C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1c(C)n[nH]c1C |r|
BDBM239546 CC(C)Cc1ccc2nnc(-c3cc(ncn3)N3CCOCC3)c2c1
BDBM239547 C1CN(CCO1)c1cc(ncn1)-c1nnc2ccccc12
BDBM239325 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1 |r|
BDBM239326 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCCN(CC3)S(C)(=O)=O)c2c1
BDBM239327 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(C3)n3cccn3)c2c1
BDBM239329 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCc4oc(nc4C3)C3CC3)c2c1
BDBM239243 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CC[C@H](N)C1 |r|
BDBM239244 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](N)C[C@@H]1C |r|
BDBM239245 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](O)[C@@H](N)[C@@H]1C |r|
BDBM239246 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CCO)CC1
BDBM239247 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)S(=O)(=O)C1CC1
BDBM239248 CCC(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM50165988 O=C1CCCc2c(sc(SC3CCCC3)c12)-c1cc[nH]n1
BDBM50165989 Cc1nnc(Sc2sc(-c3cc[nH]n3)c3CC(C)(C)CC(=O)c23)s1
BDBM50165990 CC1(C)Cc2c(sc(SCCc3ccccc3)c2C(=O)C1)-c1cc[nH]n1
BDBM50166006 CCSc1sc(-c2cc[nH]n2)c2CCNC(=O)c12
BDBM50166007 CSc1sc(-c2cc[nH]n2)c2CCN(C(=O)c12)c1ccccc1
BDBM239391 CO[C@@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM239389 Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCc2nccnc2C1
BDBM239457 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1 |r|
BDBM239458 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC(COC)C3)c2c1 |r|
BDBM239459 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(F)(F)C3)c2c1 |r|
BDBM239460 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3[C@@H](C)COC[C@H]3C)c2c1 |r|
BDBM239461 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC[C@@H]3C)c2c1 |r|
BDBM239462 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCc4oc(C)nc4C3)c2c1 |r|
BDBM239331 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(C3)S(C)(=O)=O)c2c1
BDBM239332 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)CC3)c2c1
BDBM239333 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(F)(F)C3)c2c1
BDBM239334 CCc1nnc2CN(CCn12)c1cc(ncn1)-c1n[nH]c2ccc(OC(C)C)cc12
BDBM239335 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCc4nc(oc4C3)C3CC3)c2c1
BDBM239249 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)C(=O)C1CC1
BDBM239250 CCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239251 COCCOC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239252 CCS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
BDBM239253 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C(C)C)C(=O)C1
BDBM239254 CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)C(=O)C1
BDBM50166009 CSc1sc(-c2cc[nH]n2)c2CCN(C)C(=O)c12
BDBM239392 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCCC(F)(F)C3)c2c1
BDBM239393 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCn4ncnc4C3)c2c1
BDBM239394 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](CF)C3)c2c1 |r|
BDBM239395 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@H](CO)C3)c2c1 |r|
BDBM239396 CC(O)C1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
BDBM239397 Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](CO)C3)c2c1 |r|
BDBM239463 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC(C)(C)C3)c2c1 |r|
BDBM239464 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(F)(F)CC3)c2c1 |r|
BDBM239465 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN4C(COC4=O)C3)c2c1 |r|
BDBM239466 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](O)[C@H](C3)OC)c2c1 |r|
BDBM239467 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](O)[C@H](C3)N(C)C)c2c1 |r|
BDBM239468 COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CC3)CNC(=O)CO4)c2c1 |r|
BDBM239336 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)c3nnc(o3)C3CC3)c2c1
BDBM239337 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(C3)c3nc(C)no3)c2c1
BDBM239338 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(C3)n3cnnc3)c2c1
BDBM239339 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)c3ccncn3)c2c1
BDBM239340 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](F)C3)c2c1 |r|
BDBM239341 CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@H](F)C3)c2c1 |r|
BDBM161987 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM161988 CN1CCC(CC1)Nc1ncncc1-c1cnc2[nH]nc(C)c2c1
BDBM162018 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(F)cc4)C3)cc12
BDBM162019 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(F)c(F)c4)C3)cc12
BDBM162020 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(Cl)cc4)C3)cc12
BDBM162026 Cc1n[nH]c2ncc(NC3CCCN(Cc4ccc(Cl)c(Cl)c4)C3)cc12
BDBM162034 CN1CCN(CCOc2cncc(n2)-c2cnc3[nH]nc(C)c3c2)CC1
BDBM162039 Cc1n[nH]c2ncc(cc12)-c1cncc(Cl)n1
BDBM162035 CN1CCC(CC1)C(=O)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162041 Cc1n[nH]c2ncc(cc12)-c1cnccn1
BDBM162045 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCCC1=O
BDBM162228 CN1CCC(C1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162229 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCC(F)(F)C1
BDBM162230 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCN(CCO)CC1
BDBM162232 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)C(=O)N1CCNCC1
BDBM162233 CN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162246 CN(C)CCNc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162250 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162327 Cc1n[nH]c2ncc(cc12)-c1nccnc1N1CCCC1
BDBM162328 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)C(=O)N1CCCCC1
BDBM162331 Cc1n[nH]c2ncc(cc12)-c1cncc(NC2CCN(CCO)CC2)n1
BDBM162332 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCNC(=O)C1
BDBM162333 CC(C)N1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162334 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCc2ccccc12
BDBM162335 Cc1n[nH]c2ncc(cc12)-c1cncc(Nc2cccc(c2)N2CCCC2=O)n1
BDBM162336 CN1CCC(CC1)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM162337 CN1CCC(CC1)Nc1cccc(n1)-c1cnc2[nH]nc(C)c2c1
BDBM162338 Cc1n[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
BDBM162340 Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM162341 CN(C)S(=O)(=O)c1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM162343 Cn1cc(cn1)-c1cnc2[nH]ncc2c1
BDBM162344 CCOC(=O)c1cccc(c1)-c1cnc2[nH]nc(C)c2c1
BDBM162345 CN1CCN(Cc2cccc(c2)-c2cnc3[nH]nc(C)c3c2)CC1
BDBM162346 CN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162347 OCCN1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162348 CN(C)CCNc1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162349 C1CCN(C1)c1nccnc1-c1cnc2[nH]ccc2c1
BDBM162350 CN1CC(C1)Nc1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162351 O=C1CCCN1c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162352 O=C1CN(CCN1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162353 C1Cc2ccccc2N1c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162354 FC1(F)CCN(C1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162355 OC1CCN(CC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162356 O=C(N1CCCCC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162357 CN1CCN(CC1)C(=O)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162360 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]cc(F)c2c1
BDBM162358 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162359 CN1CCC(CC1)Nc1cncc(n1)-c1cnc2[nH]cc(Cl)c2c1
BDBM162361 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM162362 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]cc(Cl)c2c1
BDBM163551 CN(CC1CCOCC1)c1cncc(n1)-c1cnc2[nH]cc(F)c2c1
BDBM163579 C1CN(CCO1)c1cncc(n1)-c1cnc2[nH]ccc2c1
BDBM164048 Clc1c[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
BDBM164205 Cc1n[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
BDBM164197 Fc1c[nH]c2ncc(cc12)-c1cncc(n1)N1CCOCC1
BDBM164198 CN1CCN(Cc2cccc(c2)-c2cnc3[nH]ccc3c2)CC1
BDBM164206 Cc1n[nH]c2ncc(cc12)-c1cccc(CC#N)c1
BDBM164207 CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]nc(C)c2c1
BDBM164214 Cc1n[nH]c2ncc(Nc3cccc(CN4CCN(CCO)CC4)c3)cc12
BDBM164216 CN1CCN(Cc2ccc(Nc3cnc4[nH]nc(C)c4c3)cc2)CC1
BDBM164233 CN1CCN(CC1)c1ccc(Nc2cnc3[nH]nc(C)c3c2)cc1F
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
BDBM164236 COc1ccccc1-c1n[nH]c2ncc(cc12)-c1ccoc1
BDBM164234 Cc1n[nH]c2ncc(Nc3cncc(Cl)n3)cc12
BDBM164235 COc1ccccc1-c1n[nH]c2ncc(cc12)-c1ccsc1
BDBM50201697 N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
BDBM282618 NC(=O)c1cc2ccc(cc2nn1)-c1cccc(OCC2CC2)c1
BDBM282619 CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(nnc2c1)C(N)=O
BDBM282620 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)S(C)(=O)=O
BDBM282621 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1=O)C(N)=O)C1CC1
BDBM282622 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1Cl)C(N)=O)C1CC1
BDBM282623 COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C
BDBM282624 C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2NC(=O)Cc12)C(N)=O)C1CC1
BDBM282625 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2CC(=O)Nc2c1)C(N)=O)C1CC1
BDBM282626 C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2CC(=O)Nc12)C(N)=O)C1CC1
BDBM282627 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccn(C)c(=O)c1)C(N)=O)C1CC1
BDBM282628 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1S(C)(=O)=O)C(N)=O)C1CC1
BDBM282629 CC(C)Nc1c(nnc2ccc(cc12)-c1ccccc1)C(N)=O
BDBM282630 CC(C)Nc1c(nnc2ccc(cc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM282633 CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C#N
BDBM282635 CC(C)Nc1c(nnc2ccc(cc12)-c1nccs1)C(N)=O
BDBM282636 CC(C)Nc1c(nnc2ccc(cc12)-c1cncs1)C(N)=O
BDBM282637 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)c1ccccc1
BDBM282638 C[C@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)c1ccccc1
BDBM282639 CCC(CC)Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O
BDBM282640 CC(Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)c1cccnc1
BDBM282643 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ccc(Br)cc1OC
BDBM282644 CCC(C)Sc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM282645 CC(C)Nc1c(I)nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
BDBM282646 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cscn1
BDBM282647 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1ncco1
BDBM282648 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1cccnc1
BDBM282649 CC(C)Nc1c(Cl)nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
BDBM282650 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nccc(=O)[nH]1
BDBM282651 CC(C)Nc1c(nnc2cc(Oc3ccccc3)ccc12)C(N)=O
BDBM282652 CC(C)Nc1c(nnc2cc(Sc3ccccc3)ccc12)C(N)=O
BDBM282653 CC(C)Nc1c(nnc2cc(Nc3ccccc3)ccc12)C(N)=O
BDBM282654 CC(C)Nc1c(nnc2cc(ccc12)-n1cccn1)C(N)=O
BDBM282655 CC(C)Nc1c(nnc2cc(ccc12)N1CCCC1=O)C(N)=O
BDBM282657 COc1ccccc1Nc1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
BDBM282658 COc1ncccc1Nc1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
BDBM282659 CC(C)Nc1c(nnc2ccc(cc12)N1CCOCC1)C(N)=O
BDBM282660 COc1cccc(Nc2ccc3c(NC(C)C)c(nnc3c2)C(N)=O)c1
BDBM282661 CC(C)Nc1c(nnc2cc(ccc12)-c1c[nH]nn1)C(N)=O
BDBM282662 CC(C)Nc1c(C)nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
BDBM282663 CC(C)Nc1c(nnc2cc(CCO)ccc12)C(N)=O
BDBM282664 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1nc[nH]n1
BDBM282665 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)N1CCOC1=O
BDBM282666 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-n1cccn1
BDBM282667 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ccc(cc1OC)N1CCOC1=O
BDBM282668 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)N1CCOCC1=O
BDBM282669 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ccc(cc1OC)N1CCOCC1=O
BDBM282670 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOC1=O)C(N)=O)C1CC1
BDBM282671 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#C
BDBM282672 COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1ncccc1F
BDBM282673 COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccnc1OC
BDBM282674 COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccn1C
BDBM282676 CNC(=O)c1nnc2cc(ccc2c1NC)-c1ccc(cc1)S(C)(=O)=O
BDBM282678 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)-c1ncc[nH]1
BDBM282679 CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)C(C)=C
BDBM282680 CNC(=O)c1nnc2cc(ccc2c1N[C@H](C)C1CC1)C1CC1
BDBM282565 NC(=O)c1nnc2cc(ccc2c1N)-c1cccc(c1)N1CCOCC1
BDBM282566 CN(C)c1ccc(cc1)-c1ccc2c(N)c(nnc2c1)C(N)=O
BDBM282567 CN(C)c1cccc(c1)-c1ccc2c(N)c(nnc2c1)C(N)=O
BDBM282568 NC(=O)c1nnc2cc(ccc2c1N)-c1ccc(cc1)N1CCOCC1
BDBM282569 CC(C)(C)c1ccc2nnc(C(N)=O)c(N)c2c1
BDBM282571 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM282573 CN1CCC(CC1)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM282576 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3COC3)c(nnc2c1)C(N)=O
BDBM282579 CC(C)Nc1c(nnc2cc(ccc12)-c1cncnc1)C(N)=O
BDBM282582 CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N
BDBM282585 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C#N)C1CC1
BDBM282586 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(F)cc1)C(N)=O
BDBM282587 CCNc1c(nnc2cc(ccc12)-c1cccc(F)c1)C(N)=O
BDBM282588 CC(C)Nc1c(nnc2cc(ccc12)-c1ccccc1F)C(N)=O
BDBM282589 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1)C(N)=O
BDBM282590 CC(C)Nc1c(nnc2cc(ccc12)-c1cccc(c1)N1CCOCC1)C(N)=O
BDBM282592 CC(C)Nc1c(nnc2cc(ccc12)-c1cccnc1)C(N)=O
BDBM282593 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC34CC5CC(CC(C5)C3)C4)c(nnc2c1)C(N)=O |TLB:23:18:25:22.24.21,23:22:25:19.18.17,17:18:16.25.24:21,THB:17:16:19.18.23:21,15:16:19.18.23:21|
BDBM282594 CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NCC3CCOCC3)c(nnc2c1)C(N)=O
BDBM282595 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CCOCC1
BDBM282596 CC(C)(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM282600 CC(C)Nc1c(nnc2cc(C=C)ccc12)C(N)=O
BDBM282601 COc1ccccc1-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
BDBM282602 COc1cccc(c1)-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
BDBM282603 COc1ccc(F)cc1-c1ccc2c(NC(C)C)c(nnc2c1)C(N)=O
BDBM282604 CC(C)Nc1c(nnc2cc(ccc12)C(C)=C)C(N)=O
BDBM282606 C[C@@H](Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O)C1CC1
BDBM282607 CN(C)C(=O)c1cccc(c1)-c1ccc2cc(nnc2c1)C(N)=O
BDBM282608 COc1ccccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O
BDBM282609 COCc1ccccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O
BDBM282610 C[C@@H](Nc1c(nnc2cc(ccc12)-c1cncc2ccccc12)C(N)=O)C1CC1
BDBM282611 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2NC(=O)Cc2c1)C(N)=O)C1CC1
BDBM282612 COc1ccc(cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C
BDBM282613 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1OC(F)(F)F)C(N)=O)C1CC1
BDBM282614 COc1ccc(Br)cc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O
BDBM282615 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccccc1)C(N)=O)C1CC1
BDBM282616 C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc(c1)S(C)(=O)=O)C(N)=O)C1CC1
BDBM282617 C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(=O)n(C)c1)C(N)=O)C1CC1