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3212 SMILES Strings for Leucine-rich repeat serine/threonine-protein kinase 2

Compound NameSMILES String
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
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
BDBM81552 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12
BDBM92422 CN(C)c1ncnc2nc[nH]c12
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
BDBM50189601 COc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50198047 O=C1Nc2ccccc2\C1=N\c1ccccc1
BDBM50208876 Nc1ncnc2n[nH]cc12
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|
BDBM50301372 [O-][N+](=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccccc12
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
BDBM50337126 COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
BDBM50337127 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
BDBM50337128 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
BDBM50337129 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCOCC1
BDBM50337130 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCNCC1
BDBM50337134 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
BDBM50337135 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12
BDBM50337136 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
BDBM50337139 CCN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12
BDBM50337140 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C(C)C)c2n1)N1CCN(C)CC1
BDBM50337141 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1
BDBM50337142 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(C)ccc3N(C)c2n1)N1CCN(C)CC1
BDBM50337144 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(Cl)ccc3N(C)c2n1)N1CCN(C)CC1
BDBM50337145 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccc(Cl)cc3N(C)c2n1)N1CCN(C)CC1
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|
BDBM50399021 Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
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|
BDBM482157 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
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
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
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
BDBM50434070 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
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
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
BDBM223541 CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
BDBM223542 Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc2[nH]ccc2c1
BDBM223543 CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
BDBM223546 Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc(CN2CCOCC2)cc1
BDBM223549 CC(C)n1cc(nn1)-c1cc(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
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|
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
BDBM241338 CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
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
BDBM257207 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
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
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
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
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
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
BDBM50166017 CSc1sc(-c2cc[nH]n2)c2CC3(CC3)NC(=O)c12
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
BDBM50166009 CSc1sc(-c2cc[nH]n2)c2CCN(C)C(=O)c12
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
BDBM50193017 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12
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
BDBM492349 CN1CC[C@@H]([C@H](F)C1)c1cc2n(ncc2cc1C)-c1cc(nc(C)n1)N1CC(O)C1
BDBM50236734 CN(c1cccc(c1)S(C)(=O)=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50236735 Nc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3)cc12
BDBM352919 CC(C)Oc1cc(F)c2nnc(-c3ccnc(c3)N3CCOCC3)c2c1
BDBM352920 Fc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCOCC1)-c1cnccn1
BDBM352921 Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCOCC1)-c1cnn(C)c1
BDBM352922 Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
BDBM352923 Cn1cc(cn1)-c1cc(F)c2[nH]nc(-c3ccnc(c3)N3CC(F)C3)c2c1
BDBM352924 Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCN(CC1)S(C)(=O)=O)-c1cnn(C)c1
BDBM352925 Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CC[C@@H](F)C1)-c1cnn(C)c1 |r|
BDBM50240494 CN(C)S(=O)(=O)c1ccc(o1)C(=O)Nc1nc2ccccc2n1-c1ccccc1
BDBM50240496 CCn1c(NC(=O)c2ccnc(c2)-n2ccnc2)nc2ccccc12
BDBM50240497 CCOc1ccc(Nc2nc(N3CCOCC3)c3nc[nH]c3n2)cc1
BDBM50240502 OC1CCN(CC1)c1nc(Nc2cccc(c2)C(F)(F)F)c2c(cc[nH]c2=O)n1
BDBM50240504 COc1cccc(Nc2nc(NCCO)c3nc[nH]c3n2)c1
BDBM50240503 NC(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
BDBM356235 COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
BDBM50260924 Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cnn(C)c1
BDBM50250344 Clc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM50260922 Cc1ccc(cc1)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
BDBM50260923 CCn1cc(cn1)-c1cc(cnc1N)-c1ccc(C)cc1
BDBM50260925 Cc1ncc(o1)-c1cc(cnc1N)-c1ccc(C)cc1
BDBM50250328 Cc1cccc(n1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
BDBM50250345 Cc1ccccc1-c1ccnc2[nH]cc(C#N)c12
BDBM50250329 Cc1cc(ccn1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM50250333 Cc1cn(C)nc1Nc1cc(-c2cncc(C)c2)c2c(c[nH]c2n1)C#N
BDBM50250334 Cc1cncc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
BDBM50250335 Cc1cc(ccn1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
BDBM50250336 Oc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
BDBM50250337 N#Cc1c[nH]c2ncccc12
BDBM50250338 N#Cc1c[nH]c2nccc(-c3ccccc3)c12
BDBM50250339 Clc1ccccc1-c1ccnc2[nH]cc(C#N)c12
BDBM50250346 Cc1ccc(cc1)-c1ccnc2[nH]cc(C#N)c12
BDBM50250351 Cc1ccnc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM50250353 Cc1cccc(n1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
BDBM384386 Cc1nn(cc1Nc1ncc(Cl)c(NC2CC2)n1)C(C)(C)C#N
BDBM384387 Cc1nn(cc1Nc1ncc(Br)c(NCC(F)F)n1)C(C)(C)C#N
BDBM384389 CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1Br
BDBM384390 Cc1nn(cc1Nc1ncc(c(NC(CF)CF)n1)C(F)(F)F)C(C)(C)C#N
BDBM384391 CNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1C(F)(F)F
BDBM384502 CCNc1nc(Nc2ccnn2[C@@H]2C[C@@H](C2)n2nccn2)ncc1C(F)(F)F |r,wU:12.12,14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.43,-1.07,;-3.76,-1.84,;-2.99,-3.17,;-5.25,-1.44,;-5.73,.03,;-7.27,.03,;-7.74,-1.44,;-6.5,-2.34,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
BDBM384503 CCNc1nc(Nc2ccnn2[C@@H]2C[C@@H](C2)n2ccnn2)ncc1C(F)(F)F |r,wU:12.12,14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.43,-1.07,;-3.76,-1.84,;-2.99,-3.17,;-5.25,-1.44,;-6.5,-2.34,;-7.74,-1.44,;-7.27,.03,;-5.73,.03,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
BDBM384504 CCNc1nc(Nc2ccnn2[C@H]2C[C@H](F)C2)ncc1C(F)(F)F |r,wU:12.12,wD:14.15,(6.5,-2.67,;5.16,-1.9,;5.16,-.36,;3.83,.41,;2.5,-.36,;1.16,.41,;-.17,-.36,;-.17,-1.9,;1.07,-2.8,;.6,-4.26,;-.94,-4.26,;-1.42,-2.8,;-2.91,-2.4,;-4.24,-3.17,;-5.01,-1.84,;-6.5,-1.44,;-3.68,-1.07,;1.16,1.95,;2.5,2.72,;3.83,1.95,;5.16,2.72,;5.16,4.26,;6.5,1.95,;6.5,3.49,)|
BDBM384505 CCNc1nc(Nc2cc(nn2C2CCC2)C(C)(C)O)ncc1C(F)(F)F
BDBM384506 CCNc1nc(Nc2cc(nn2C2CCC2)C(C)(C)OC)ncc1C(F)(F)F
BDBM384392 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1C(F)(F)F
BDBM384393 Cn1nc(cc1Nc1ncc(Br)c(NC2CC2)n1)C(C)(C)n1nccn1
BDBM384395 Cn1nc(cc1Nc1ncc(Br)c(OC2CC2)n1)C(C)(C)n1nccn1
BDBM384396 CCNc1nc(Nc2cc(nn2C)C(C)(C)c2ncco2)ncc1C(F)(F)F
BDBM384397 CCNc1nc(Nc2cc(n(C)n2)C(C)(C)c2ncco2)ncc1C(F)(F)F
BDBM384398 Cc1nn(cc1Nc1ncc(c(NC2(C)CC2)n1)C(F)(F)F)C(C)(C)C#N
BDBM384399 CCNc1nc(Nc2cn(nc2C)C(C)(C)c2nncs2)ncc1C(F)(F)F
BDBM384507 CCNc1nc(Nc2cc(nn2C)C2CCOCC2)ncc1C(F)(F)F
BDBM384508 CCNc1nc(Nc2cn(nc2C)C2(C)CCCC2=O)ncc1C(F)(F)F
BDBM384509 CNc1nc(Nc2cn(nc2C)C2(C)CCCC2=O)ncc1C(F)(F)F
BDBM384510 CCNc1nc(Nc2cn(nc2[C@H]2C[C@@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(8.41,1.08,;7.08,1.85,;5.74,1.08,;4.41,1.85,;3.07,1.08,;1.74,1.85,;.41,1.08,;.41,-.46,;1.65,-1.36,;1.18,-2.83,;-.36,-2.83,;-.84,-1.36,;-2.33,-.96,;-3.66,-1.73,;-4.43,-.4,;-3.1,.37,;-5.92,-0,;-6.39,1.46,;-7.93,1.46,;-8.41,-0,;-7.16,-.91,;1.95,-4.16,;1.95,-5.7,;3.28,-4.93,;1.74,3.39,;3.07,4.16,;4.41,3.39,;5.74,4.16,;5.74,5.7,;7.08,3.39,;7.08,4.93,)|
BDBM384511 CCNc1nc(Nc2cn(nc2[C@H]2C[C@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wD:12.12,14.17,(8.41,1.08,;7.08,1.85,;5.74,1.08,;4.41,1.85,;3.07,1.08,;1.74,1.85,;.41,1.08,;.41,-.46,;1.65,-1.36,;1.18,-2.83,;-.36,-2.83,;-.84,-1.36,;-2.33,-.96,;-3.1,.37,;-4.43,-.4,;-3.66,-1.73,;-5.92,-0,;-6.39,1.46,;-7.93,1.46,;-8.41,-0,;-7.16,-.91,;1.95,-4.16,;1.95,-5.7,;3.28,-4.93,;1.74,3.39,;3.07,4.16,;4.41,3.39,;5.74,4.16,;5.74,5.7,;7.08,3.39,;7.08,4.93,)|
BDBM384512 CNc1nc(Nc2cn(nc2[C@H]2C[C@@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wU:11.11,wD:13.16,(7.74,1.85,;6.41,1.08,;5.08,1.85,;3.74,1.08,;2.41,1.85,;1.07,1.08,;1.07,-.46,;2.32,-1.36,;1.84,-2.83,;.3,-2.83,;-.17,-1.36,;-1.66,-.96,;-2.99,-1.73,;-3.76,-.4,;-2.43,.37,;-5.25,-0,;-5.73,1.46,;-7.27,1.46,;-7.74,-0,;-6.5,-.91,;2.61,-4.16,;2.61,-5.7,;3.95,-4.93,;2.41,3.39,;3.74,4.16,;5.08,3.39,;6.41,4.16,;6.41,5.7,;7.74,3.39,;7.74,4.93,)|
BDBM384407 CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1Br
BDBM384408 CCNc1nc(Nc2cn(Cc3ccon3)nc2C2CC2)ncc1C(F)(F)F
BDBM384513 CNc1nc(Nc2cn(nc2[C@H]2C[C@H](C2)n2nccn2)C2CC2)ncc1C(F)(F)F |r,wD:11.11,13.16,(7.74,1.85,;6.41,1.08,;5.08,1.85,;3.74,1.08,;2.41,1.85,;1.07,1.08,;1.07,-.46,;2.32,-1.36,;1.84,-2.83,;.3,-2.83,;-.17,-1.36,;-1.66,-.96,;-2.43,.37,;-3.76,-.4,;-2.99,-1.73,;-5.25,-0,;-5.73,1.46,;-7.27,1.46,;-7.74,-0,;-6.5,-.91,;2.61,-4.16,;2.61,-5.7,;3.95,-4.93,;2.41,3.39,;3.74,4.16,;5.08,3.39,;6.41,4.16,;6.41,5.7,;7.74,3.39,;7.74,4.93,)|
BDBM384409 COc1nc(Nc2cn(Cc3cc[nH]n3)nc2C2CC2)ncc1Br
BDBM384410 CCNc1nc(Nc2cn(nc2C2CC2)C2CS(=O)(=O)C2)ncc1Br
BDBM384411 CCNc1nc(Nc2cnn(C3C[C@@H](C3)n3nccn3)c2C2CC2)ncc1C(F)(F)F |r,wU:13.15,(6.04,.8,;4.71,1.57,;4.71,3.11,;3.37,3.88,;2.04,3.11,;.71,3.88,;-.63,3.11,;-.63,1.57,;.62,.66,;.14,-.8,;-1.4,-.8,;-2.17,-2.14,;-3.65,-2.54,;-3.26,-4.02,;-1.77,-3.62,;-4.03,-5.36,;-5.57,-5.36,;-6.04,-6.82,;-4.8,-7.73,;-3.55,-6.82,;-1.87,.66,;-3.36,1.06,;-4.45,2.15,;-4.85,.66,;.71,5.42,;2.04,6.19,;3.37,5.42,;4.71,6.19,;6.04,5.42,;4.71,7.73,;6.04,6.96,)|
BDBM384412 CCNc1nc(Nc2cnn(c2Cl)-c2cnccn2)ncc1C(F)(F)F
BDBM384520 CCNc1nc(Nc2cn(nc2Cl)C2C[C@@H]2C#N)ncc1C(F)(F)F |r|
BDBM384521 CCNc1nc(Nc2cn(nc2Cl)C2C[C@H]2C#N)ncc1C(F)(F)F |r|
BDBM384522 CNc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1C(F)(F)F |r|
BDBM384523 CNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1C(F)(F)F |r|
BDBM384526 COc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1Br |r|
BDBM384527 COc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1Br |r|
BDBM384528 CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1Br |r|
BDBM384529 CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1Br |r|
BDBM384419 CCNc1nc(Nc2cnn(c2C2CC2)-c2cnccn2)ncc1C(F)(F)F
BDBM384420 CCNc1nc(Nc2cnn(C3C[C@@H](C3)N3CCN(CC(F)F)CC3)c2C)ncc1C(F)(F)F |r,wU:13.15,(6.19,2.95,;4.86,3.72,;4.86,5.26,;3.52,6.03,;2.19,5.26,;.85,6.03,;-.48,5.26,;-.48,3.72,;.77,2.81,;.29,1.35,;-1.25,1.35,;-2.02,.01,;-3.51,-.39,;-3.11,-1.87,;-1.62,-1.48,;-3.88,-3.21,;-5.42,-3.21,;-6.19,-4.54,;-5.42,-5.87,;-6.19,-7.21,;-5.42,-8.54,;-6.19,-9.88,;-3.88,-8.54,;-3.88,-5.87,;-3.11,-4.54,;-1.73,2.81,;-3.21,3.21,;.85,7.57,;2.19,8.34,;3.52,7.57,;4.86,8.34,;4.86,9.88,;6.19,7.57,;6.19,9.11,)|
BDBM384421 CCNc1nc(Nc2cn(nc2C2CC2)C2C[C@@H]2C#N)ncc1C(F)(F)F |r|
BDBM384423 CNc1nc(Nc2c[nH]nc2C)ncc1C(F)(F)F
BDBM384424 CCNc1nc(Nc2cn(nc2C2CC2)C2CS(=O)(=O)C2)ncc1C(F)(F)F
BDBM384425 CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1Br
BDBM384426 CCNc1nc(Nc2cn(nc2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
BDBM384431 CCNc1nc(Nc2cn(nc2Cl)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384432 CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F
BDBM384323 CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
BDBM384514 CCNc1nc(Nc2cnn(C3CNCCC3(F)F)c2C)ncc1C(F)(F)F
BDBM384330 CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)|
BDBM384287 CNc1nc(Nc2cnn(C3CC4CCC(C3)N4C)c2C)ncc1C(F)(F)F |TLB:18:17:13.14:11.16.10,THB:9:10:17:13.14|
BDBM384289 CNc1nc(Nc2cn(nc2C)C2CC3CCC(C2)N3C)ncc1C(F)(F)F |TLB:20:19:15.16:13.18.12,THB:8:12:19:15.16|
BDBM384294 Cc1nn(cc1Nc1ncc(c(NC2C3CC2C3)n1)C(F)(F)F)C(C)(C)C#N |(-4.47,-1.87,;-2.93,-1.87,;-2.02,-3.12,;-.56,-2.64,;-.56,-1.1,;-2.02,-.63,;-2.42,.86,;-1.33,1.95,;-1.73,3.44,;-.64,4.53,;.85,4.13,;1.25,2.64,;2.73,2.24,;3.13,.76,;2.36,-.58,;3.7,-1.35,;4.47,-.01,;3.58,-.9,;.16,1.55,;1.94,5.22,;3.42,4.82,;1.54,6.71,;3.03,6.31,;.53,-3.73,;2.02,-4.13,;1.62,-2.64,;.13,-5.22,;-.26,-6.71,)|
BDBM384296 CNc1nc(Nc2cn(CC34CC(C3)(C4)C#N)nc2C)ncc1C(F)(F)F
BDBM384440 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1Br
BDBM384441 CCNc1nc(Nc2cc(nn2C2CCC2)C(C)(C)n2nccn2)ncc1C(F)(F)F
BDBM384442 CNc1nc(Nc2cc(nn2C2CC2)C(C)(C)c2ncccn2)ncc1C(F)(F)F
BDBM384444 CCNc1nc(Nc2cc(nn2C2CC2)C(=O)N(C)C)ncc1C(F)(F)F
BDBM384445 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F
BDBM384446 CCNc1nc(Nc2cc(nn2C2CC2)S(C)(=O)=O)ncc1C(F)(F)F
BDBM384447 CCNc1nc(Nc2cc(nn2C2CC2)C#N)ncc1C(F)(F)F
BDBM384297 CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F
BDBM384299 CNc1nc(Nc2cnn3CC4(CC4)Cc23)ncc1C(F)(F)F
BDBM384309 CNc1nc(Nc2cnn(C3CC4(COC4)C3)c2Cl)ncc1C(F)(F)F
BDBM384448 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)O)ncc1C(F)(F)F
BDBM384449 CCNc1nc(Nc2cc(nn2C2CC2)C(C)=O)ncc1C(F)(F)F
BDBM384450 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCC(=O)N2)ncc1C(F)(F)F
BDBM384453 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)S(C)(=O)=O)ncc1C(F)(F)F
BDBM384454 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)S(C)(=O)=O)ncc1Br
BDBM384455 CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)C#N)ncc1Br
BDBM384311 CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
BDBM384312 CNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F
BDBM384314 CNc1nc(Nc2cnn3CC4(CC4)COc23)ncc1C(F)(F)F
BDBM384317 Cc1nn(cc1Nc1nc2NCC3(CC3)c2c(n1)C1CC1)C(C)(C)C#N
BDBM384318 CCNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F
BDBM384321 Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1C1C[C@@H](C1)C#N |r,wU:23.28,(-3.98,.54,;-2.5,.14,;-1.25,1.05,;-1.25,2.59,;.08,3.36,;.08,4.9,;1.42,5.67,;2.75,4.9,;2.75,3.36,;4.09,2.59,;4.09,1.05,;3.32,-.29,;4.86,-.29,;1.42,2.59,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,)|
BDBM384456 CCNc1nc(Nc2cc(nn2C2CC2)-c2ncoc2C)ncc1C(F)(F)F
BDBM384459 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)COC2)ncc1C(F)(F)F
BDBM384462 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)COC2)ncc1Br
BDBM384463 CCNc1nc(Nc2cc(CN3CCCC3=O)nn2C2CC2)ncc1C(F)(F)F
BDBM384516 CCN1CCC(F)(F)C(C1)n1ncc(Nc2ncc(c(NC)n2)C(F)(F)F)c1Cl
BDBM384328 CCNc1nc(Nc2cn(nc2C)C2CCN(C)C2=O)ncc1C(F)(F)F
BDBM384466 CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@@H]2C#N)ncc1C(F)(F)F |r|
BDBM384467 CCNc1nc(Nc2cc(nn2C2CC2)N2CCCC2=O)ncc1C(F)(F)F
BDBM384468 CCNc1nc(Nc2cc(nn2C2CC2)N2CCCS2(=O)=O)ncc1C(F)(F)F
BDBM384471 COc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1Br
BDBM384500 CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F
BDBM384343 CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1C(F)(F)F
BDBM384346 COc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1Br
BDBM384349 CCNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wU:15.18,wD:13.13,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;-.83,-4.04,;.67,-4.46,;1.06,-2.95,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)|
BDBM384350 CCNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wD:13.13,15.18,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;1.06,-2.95,;.67,-4.46,;-.83,-4.04,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)|
BDBM384352 COc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br
BDBM384472 CCNc1nc(Nc2cc(nn2C2CC2)N2CCCC2=O)ncc1Br
BDBM384473 CCNc1nc(Nc2cc(nn2C2CC2)N2CCCS2(=O)=O)ncc1Br
BDBM384476 CCNc1nc(Nc2cc(nn2C2CC2)[C@@]23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
BDBM384477 CNc1nc(Nc2cc(nn2C2CC2)[C@@]23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
BDBM384478 CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@H]2C#N)ncc1C(F)(F)F |r|
BDBM384479 CCNc1nc(Nc2cc(nn2C2CC2)[C@]23C[C@H]2COC3=O)ncc1C(F)(F)F |r|
BDBM384487 CCNc1nc(Nc2cc(nn2C)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384460 CCNc1nc(Nc2cc(nn2C2CC2)C(C)n2nccn2)ncc1Br
BDBM384451 CCNc1nc(Nc2cc(nn2C2CC2)C(C)n2nccn2)ncc1C(F)(F)F
BDBM384464 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1Br
BDBM384457 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384480 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ccnc23)ncc1C(F)(F)F
BDBM384485 CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F
BDBM384402 CCNc1nc(Nc2cc(nn2CC)C(C)(C)n2nccn2)ncc1C(F)(F)F
BDBM384366 CCNc1nc(Nc2cnn3CC(Cc23)C#N)ncc1C(F)(F)F
BDBM384368 CCNc1nc(Nc2cnn3CC(Cc23)n2nccn2)ncc1C(F)(F)F
BDBM384356 Cc1nn(cc1Nc1ncc(c(N[C@H]2C[C@H]2F)n1)C(F)(F)F)C(C)(C)C#N |r|
BDBM384358 COc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
BDBM384359 CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
BDBM384360 CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
BDBM384482 CNc1nc(Nc2cc(nn2C2CC2)[C@]23C[C@H]2COC3=O)ncc1C(F)(F)F |r|
BDBM384483 CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@H]2C(=O)OCC)ncc1C(F)(F)F |r|
BDBM384484 CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@H]2C(N)=O)ncc1C(F)(F)F |r|
BDBM384365 CCNc1nc(Nc2cnn3CC(F)Cc23)ncc1C(F)(F)F
BDBM384493 CCNc1nc(Nc2ccnn2[C@@H]2C[C@H](O)C2)ncc1C(F)(F)F |r,wU:12.12,14.15,(6.5,-2.67,;5.16,-1.9,;5.16,-.36,;3.83,.41,;2.5,-.36,;1.16,.41,;-.17,-.36,;-.17,-1.9,;1.07,-2.8,;.6,-4.26,;-.94,-4.26,;-1.42,-2.8,;-2.91,-2.4,;-3.68,-1.07,;-5.01,-1.84,;-6.5,-1.44,;-4.24,-3.17,;1.16,1.95,;2.5,2.72,;3.83,1.95,;5.16,2.72,;5.16,4.26,;6.5,1.95,;6.5,3.49,)|
BDBM384373 Cc1nn(cc1Nc1ncc(Cl)c(OC2CC2)n1)C(C)(C)C#N
BDBM384374 CCNc1nc(Nc2cnn3CC(Cc23)n2ccnn2)ncc1C(F)(F)F
BDBM384379 COc1nc(Nc2cnn(c2C)C2(C)CCNC2=O)ncc1Br
BDBM384380 Cc1nn(cc1Nc1ncc(Br)c(NC2CC2)n1)C(C)(C)C#N
BDBM384494 CCNc1nc(Nc2ccnn2[C@H]2C[C@H](O)C2)ncc1C(F)(F)F |r,wU:12.12,wD:14.15,(6.5,-2.67,;5.16,-1.9,;5.16,-.36,;3.83,.41,;2.5,-.36,;1.16,.41,;-.17,-.36,;-.17,-1.9,;1.07,-2.8,;.6,-4.26,;-.94,-4.26,;-1.42,-2.8,;-2.91,-2.4,;-4.24,-3.17,;-5.01,-1.84,;-6.5,-1.44,;-3.68,-1.07,;1.16,1.95,;2.5,2.72,;3.83,1.95,;5.16,2.72,;5.16,4.26,;6.5,1.95,;6.5,3.49,)|
BDBM384495 CCNc1nc(Nc2ccnn2[C@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(7.24,-2.67,;5.91,-1.9,;5.91,-.36,;4.57,.41,;3.24,-.36,;1.91,.41,;.57,-.36,;.57,-1.9,;1.82,-2.8,;1.34,-4.26,;-.2,-4.26,;-.67,-2.8,;-2.16,-2.4,;-3.5,-3.17,;-4.27,-1.84,;-2.93,-1.07,;-5.75,-1.44,;-7.24,-1.04,;1.91,1.95,;3.24,2.72,;4.57,1.95,;5.91,2.72,;5.91,4.26,;7.24,1.95,;7.24,3.49,)|
BDBM384496 CCNc1nc(Nc2ccnn2[C@H]2C[C@@H](C2)n2nccn2)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.99,-3.17,;-3.76,-1.84,;-2.43,-1.07,;-5.25,-1.44,;-5.73,.03,;-7.27,.03,;-7.74,-1.44,;-6.5,-2.34,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
BDBM384497 CCNc1nc(Nc2ccnn2[C@H]2C[C@@H](C2)n2ccnn2)ncc1C(F)(F)F |r,wU:12.12,wD:14.17,(7.74,-2.67,;6.41,-1.9,;6.41,-.36,;5.08,.41,;3.74,-.36,;2.41,.41,;1.07,-.36,;1.07,-1.9,;2.32,-2.8,;1.84,-4.26,;.3,-4.26,;-.17,-2.8,;-1.66,-2.4,;-2.99,-3.17,;-3.76,-1.84,;-2.43,-1.07,;-5.25,-1.44,;-5.73,.03,;-7.27,.03,;-7.74,-1.44,;-6.5,-2.34,;2.41,1.95,;3.74,2.72,;5.08,1.95,;6.41,2.72,;6.41,4.26,;7.74,1.95,;7.74,3.49,)|
BDBM384498 CCNc1nc(Nc2cc(nn2C)[C@@]23C[C@@H]2COC3=O)ncc1C(F)(F)F |r|
BDBM384499 CCNc1nc(Nc2cc(nn2C)[C@]23C[C@H]2COC3=O)ncc1C(F)(F)F |r|
BDBM384489 CNc1nc(Nc2cc(nn2C)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384469 CNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384310 CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
BDBM384427 CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384413 CNc1nc(Nc2cn(nc2Cl)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384433 CNc1nc(Nc2cn(nc2C)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384339 CNc1nc(Nc2cnn(C3CCCC3(C)O)c2C)ncc1C(F)(F)F
BDBM384334 CNc1nc(Nc2cnn(C3CN(CCC3(F)F)C3COC3)c2Cl)ncc1C(F)(F)F
BDBM50269792 CC(Oc1ccc(Br)cc1C(=O)Nc1cccnc1)c1ccccc1
BDBM50269796 COc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
BDBM50269801 Fc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
BDBM50269807 Cn1nccc1-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269824 Cn1cc(cn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM384414 CCNc1nc(Nc2cn(nc2C)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384530 CCNc1nc(Nc2cn(nc2C)C2(CF)CCOC2=O)ncc1C(F)(F)F
BDBM384428 CCNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1Br
BDBM384405 CCNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384406 CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F
BDBM384518 CCNc1nc(Nc2cnn(C3CN(CC)CCC3(F)F)c2Cl)ncc1C(F)(F)F
BDBM384382 Cn1nc(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)n1nccn1
BDBM384417 Cc1nn(cc1Nc1ncc(c(n1)C1CC1)C(F)(F)F)C1(C)CCOC1=O
BDBM384524 FC(F)CNc1nc(Nc2cn(nc2C2CC2)C2C[C@H]2C#N)ncc1C(F)(F)F |r|
BDBM384355 Cc1nn(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)C#N
BDBM384474 COc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F
BDBM384377 COc1nc(Nc2cn(nc2C)C2(C)CCNC2=O)ncc1Br
BDBM384404 COc1nc(Nc2cn(nc2C)C2(C)CCOC2=O)ncc1Br
BDBM384363 Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
BDBM384347 CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1C(F)(F)F
BDBM50269788 Brc1ccc(OCc2ccc(cc2)C#N)c(c1)C(=O)Nc1cccnc1
BDBM50269789 Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269790 Fc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1F
BDBM50269791 Clc1cncc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
BDBM50269793 Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ncco1
BDBM50269794 Brc1ccc(OCc2ccccc2)c(c1)C(=O)NC1CCCCC1
BDBM50269795 Cc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
BDBM50269797 Fc1cccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)c1
BDBM50269798 CN(C)c1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
BDBM50269799 Clc1ccccc1COc1ccc(Br)cc1C(=O)Nc1cccnc1
BDBM50269800 Fc1ccccc1COc1ccc(Br)cc1C(=O)Nc1cccnc1
BDBM50269802 COc1ccc(COc2ccc(Br)cc2C(=O)Nc2cccnc2)cc1
BDBM50269803 Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50269804 Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnn1
BDBM50269805 Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cnccn1
BDBM50269806 Brc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cncnc1
BDBM384361 CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
BDBM50269809 Fc1ccc(COc2ccc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1
BDBM50269810 O=C(Nc1cccnc1)c1cc(ccc1OCc1ccccc1)-c1ccncc1
BDBM50269811 CN(C)S(=O)(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269813 CN(C)C(=O)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269814 COc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269816 Fc1ccc(COc2ccc(cc2C(=O)Nc2cccnc2)-c2cn[nH]c2)cc1
BDBM50269817 Fc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269818 Clc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269819 Cc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50269823 Cn1cc(cn1)-c1ccc(OCc2ccc(F)cc2)c(c1)C(=O)Nc1cccnc1
BDBM50269825 Fc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
BDBM50269826 Clc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
BDBM410710 CN1CCN2CCC[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410711 F[C@@H]1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C1)nc34 |r|
BDBM410712 Fc1ccc2NC[C@@H]3CCCN3CCCOc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410713 Fc1ccc2OC[C@@H]3CCCN3CCCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410715 CN1CCN2CCC[C@H]2CNc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410716 Fc1ccc2OC[C@@H]3CCCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410717 Fc1ccc2O[C@@H]3CCCCN(C3)CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410718 CN1CCN2CCCC[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410719 Fc1ccc2OC[C@@H]3CNCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410720 Fc1ccc2NC[C@@H]3CCCN3CCOc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410721 Fc1ccc2OC[C@@H]3COCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410722 CN1CCN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2C1)ccc5F)c4n3 |r|
BDBM410723 CN1CCN2CCN(C)c3ccn4ncc(-c5cc(OC[C@@H]2C1)ccc5F)c4n3 |r|
BDBM410724 CN1CCN2CCOC[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410725 Fc1cc(Cl)c2OC[C@@H]3CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410726 Fc1ccc2OC[C@@H]3CN4CCC[C@@H]4CN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410727 Fc1ccc2O[C@@H]3CNCCN(C3)CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410728 CN1CCN2C[C@H]3CCCN3C[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410729 Fc1ccc2OC[C@H]3CN4CCC[C@@H]4CN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410730 CN1CCN2C[C@@H]3CCCN3C[C@@H](C2)Oc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410731 CC(=O)N1CCN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2C1)ccc5F)c4n3 |r|
BDBM410732 Fc1ccc2OC3CCN(CC3)CCNc3ccn4ncc(-c1c2)c4n3 |(5.09,1.17,;4,.08,;4.4,-1.41,;3.31,-2.5,;1.82,-2.1,;.73,-3.19,;-2.51,-4.35,;-4,-4.75,;-5.09,-3.66,;-4.69,-2.18,;-3.2,-1.78,;-2.11,-2.87,;-4.69,-.64,;-3.35,.13,;-3.35,1.67,;-2.02,2.44,;-2.02,3.98,;-.69,4.75,;.65,3.98,;2.11,4.46,;3.02,3.21,;2.11,1.97,;2.51,.48,;1.42,-.61,;.65,2.44,;-.69,1.67,)|
BDBM410733 CN1CCN2CCC(CC2)Oc2ccc(F)c(c2)-c2cnn3ccc1nc23 |(-4.69,2.44,;-3.35,1.67,;-3.35,.13,;-4.69,-.64,;-4.69,-2.18,;-5.09,-3.66,;-4,-4.75,;-2.51,-4.35,;-2.11,-2.87,;-3.2,-1.78,;.73,-3.19,;1.82,-2.1,;3.31,-2.5,;4.4,-1.41,;4,.08,;5.09,1.17,;2.51,.48,;1.42,-.61,;2.11,1.97,;3.02,3.21,;2.11,4.46,;.65,3.98,;-.69,4.75,;-2.02,3.98,;-2.02,2.44,;-.69,1.67,;.65,2.44,)|
BDBM410734 Fc1ccc2OC[C@H]3CNCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410735 CN1CCN2CCNc3ccn4ncc(-c5cc(OC[C@H]2C1)ccc5F)c4n3 |r|
BDBM410736 Fc1ccc2OC[C@@H]3CCCN3CCCc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410737 Fc1ccc2OC[C@@H]3CN4CCC[C@H]4CN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410738 F[C@H]1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C1)nc34 |r|
BDBM410739 C[C@H]1C[C@@H]2CCN1CCNc1ccn3ncc(-c4cc(O2)ccc4F)c3n1 |r|
BDBM410740 Fc1ccc2OC[C@@H]3C=CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r,c:8|
BDBM410741 CN1CCN2C[C@@H]3CCCN3C[C@H]2COc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410742 Fc1ccc2O[C@@H]3CN4CCC[C@H]4CN(C3)CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410743 CN1CCN2C[C@@H]3CCCN3C[C@H](C2)Oc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410744 C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
BDBM410745 C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1C)ccc5F)c4n3 |r|
BDBM410746 C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1C1CC1)ccc5F)c4n3 |r|
BDBM410747 CCCN1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C[C@H]1C)nc34 |r|
BDBM410748 C[C@@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1CC1CC1)ccc5F)c4n3 |r|
BDBM410749 CCN1C[C@H]2COc3ccc(F)c(c3)-c3cnn4ccc(NCCN2C[C@H]1C)nc34 |r|
BDBM410750 CC(C)[C@H]1CN2C[C@@H](CN1)Oc1ccc(F)c(c1)-c1cnn3ccc(NCC2)nc13 |r|
BDBM410751 Fc1ccc2OC[C@@H]3CCCN3CCNc3ccc4ncc(-c1c2)n4n3 |r|
BDBM410752 C[C@H]1CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
BDBM410753 C[C@H]1CN2C[C@@H](CN1)Oc1ccc(F)c(c1)-c1cnn3ccc(NCC2)nc13 |r|
BDBM410754 CC1(C)CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
BDBM410755 CC(C)[C@H]1CN2CCN(C)c3ccn4ncc(-c5cc(OC[C@@H]2CN1)ccc5F)c4n3 |r|
BDBM410756 Fc1ccc2OCCN3CCC[C@@H](C3)Nc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410757 CC1(C)CN2C[C@@H](CN1)Oc1ccc(F)c(c1)-c1cnn3ccc(NCC2)nc13 |r|
BDBM410758 Fc1ccc2O[C@@H]3CCCCN(C3)CCNc3ccc4ncc(-c1c2)n4n3 |r|
BDBM410759 Fc1ccc2OCCN3CC[C@H](C3)Nc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410760 CN1[C@@H]2CCN(C2)CCOc2ccc(F)c(c2)-c2cnn3ccc1nc23 |r|
BDBM410761 CC1(C)CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1C1CC1)ccc5F)c4n3 |r|
BDBM410762 CC1(C)CN2CCNc3ccn4ncc(-c5cc(OC[C@@H]2CN1CC=C)ccc5F)c4n3 |r|
BDBM410700 C1C[C@H]2COc3cccc(c3)-c3cnn4ccc(NCCN2C1)nc34 |r|
BDBM410701 Fc1ccc2NC[C@@H]3CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410702 Fc1ccc2NCCN3CCC(CC3)Nc3ccn4ncc(-c1c2)c4n3 |(4.89,1.33,;3.8,.24,;4.2,-1.25,;3.11,-2.34,;1.62,-1.94,;.53,-3.03,;-1.35,-4.91,;-3.55,-4.33,;-3.55,-2.79,;-4.89,-2.02,;-4.89,-.48,;-3.55,.29,;-2.22,-.48,;-2.22,-2.02,;-3.55,1.83,;-2.22,2.6,;-2.22,4.14,;-.89,4.91,;.45,4.14,;1.91,4.61,;2.82,3.37,;1.91,2.12,;2.31,.64,;1.22,-.45,;.45,2.6,;-.89,1.83,)|
BDBM410703 Fc1ccc2NC3CCN(CC3)CCNc3ccn4ncc(-c1c2)c4n3 |(4.62,1.74,;3.85,.41,;4.62,-.93,;3.85,-2.26,;2.31,-2.26,;1.44,-3.76,;-.86,-3.76,;-2.2,-4.53,;-3.53,-3.76,;-3.53,-2.22,;-2.2,-1.45,;-.86,-2.22,;-4.62,-1.13,;-3.53,-.04,;-3.93,1.45,;-2.59,2.22,;-2.59,3.76,;-1.26,4.53,;.07,3.76,;1.54,4.23,;2.44,2.99,;1.54,1.74,;2.31,.41,;1.54,-.93,;.07,2.22,;-1.26,1.45,)|
BDBM410704 Fc1ccc2NCCN3CCCC3CCNc3ccn4ncc(-c1c2)c4n3
BDBM410705 Fc1ccc2NCCCN3CCC(C3)Nc3ccn4ncc(-c1c2)c4n3
BDBM410706 Fc1ccc2NC3CCN(CC3)CCOc3ccn4ncc(-c1c2)c4n3 |(4.89,1.01,;3.8,-.08,;4.2,-1.57,;3.11,-2.65,;1.62,-2.26,;.53,-3.35,;-1.82,-3.82,;-3.15,-4.59,;-4.49,-3.82,;-4.49,-2.28,;-3.15,-1.51,;-1.82,-2.28,;-4.89,-.8,;-3.55,-.03,;-3.55,1.51,;-2.22,2.28,;-2.22,3.82,;-.89,4.59,;.45,3.82,;1.91,4.3,;2.82,3.05,;1.91,1.81,;2.31,.32,;1.22,-.77,;.45,2.28,;-.89,1.51,)|
BDBM410707 Fc1ccc2OC[C@@H]3CCCN3CCNc3ccn4ncc(-c1c2)c4n3 |r|
BDBM410709 Cc1cc(F)c-2cc1NC[C@@H]1CCCN1CCNc1ccn3ncc-2c3n1 |r|
BDBM50456461 Brc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
BDBM50456445 O=C1Nc2ccccc2C1=Nc1ccc(cc1)C#N
BDBM50456462 COc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
BDBM50456463 O=C1Nc2ccccc2C1=NN1CCCCC1
BDBM50456466 Clc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
BDBM50456467 Fc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
BDBM50467630 COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1
BDBM50469617 Clc1ccc(cc1)-c1ccnc2[nH]cc(C#N)c12
BDBM50469618 Clc1ccnc2[nH]cc(C#N)c12
BDBM50456464 Clc1ccc2NC(=O)C(=NN(c3ccccc3)c3ccccc3)c2c1
BDBM50456465 COc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1
BDBM50453821 CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2ncc3N(C)C(=O)c4cc(C)ccc4N(C)c3n2)cc1
BDBM50453822 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12
BDBM50456446 Brc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
BDBM50456447 O=C1Nc2ccccc2C1=NN(c1ccccc1)c1ccccc1
BDBM50456448 FC(F)(F)Oc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
BDBM50456449 Fc1ccc(cc1)N=C1C(=O)Nc2ccccc12
BDBM50456450 O=C1Nc2ccccc2C1=NN(Cc1ccccc1)c1ccccc1
BDBM50456451 Fc1ccc2NC(=O)C(=NN(c3ccccc3)c3ccccc3)c2c1
BDBM50456452 FC(F)(F)Oc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1
BDBM50456453 Fc1ccccc1N=C1C(=O)Nc2ccccc12
BDBM50456454 O=C1Nc2ccccc2C1=NN1CCOCC1
BDBM50456455 CN1C(=O)C(=NN(c2ccccc2)c2ccccc2)c2ccccc12
BDBM50456456 O=C1N(Cc2ccccc2)c2ccccc2C1=NN(c1ccccc1)c1ccccc1
BDBM50456457 Brc1ccc2NC(=O)C(=NN(c3ccccc3)c3ccccc3)c2c1
BDBM50456458 Fc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
BDBM50456459 COc1ccc2NC(=O)C(=NN3CCCCC3)c2c1
BDBM50456460 Clc1ccc2NC(=O)C(=NN3CCOCC3)c2c1
BDBM50456468 Ic1ccc2NC(=O)C(=NN3CCOCC3)c2c1
BDBM50456469 CN(C)c1ccc(cc1)N=C1C(=O)Nc2ccccc12
BDBM50470156 Cn1cc(cn1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
BDBM50470157 Cn1cc(cn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
BDBM50470158 Cc1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
BDBM50470159 Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cn[nH]c1
BDBM50470160 Cc1cn(nn1)-c1cc(cnc1N)-c1ccc(C)cc1
BDBM50470161 CCc1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
BDBM50470162 Cc1ccc(cc1)-c1cnc(N)c(c1)-c1cn(C)cn1
BDBM50483786 Cc1cc(N\N=C\c2ccc(O)c(O)c2)nc2ccccc12
BDBM50483787 Cc1cc(N\N=C\c2ccncc2)nc2ccccc12
BDBM436211 CNc1nc(Nc2cn(nc2C)C2C[C@@H]3C[C@@H]3C2)ncc1C(F)(F)F |r|
BDBM436212 CNc1nc(Nc2cnn(C3C[C@@H]4C[C@@H]4C3)c2C)ncc1C(F)(F)F |r|
BDBM436217 CNc1nc(Nc2cnn(C3C[C@H]4[C@@H](C3)C4(F)F)c2Cl)ncc1C(F)(F)F |r|
BDBM436218 CNc1nc(Nc2cn(nc2Cl)C2C[C@H]3[C@@H](C2)C3(F)F)ncc1C(F)(F)F |r|
BDBM436219 CNc1nc(Nc2cnn(C3C[C@H]4[C@@H](C3)C4(F)F)c2C)ncc1C(F)(F)F |r|
BDBM436220 CNc1nc(Nc2cn(nc2C)C2C[C@H]3[C@@H](C2)C3(F)F)ncc1C(F)(F)F |r|
BDBM436291 CCNc1nc(Nc2cc(nn2C(C)(C)C)C(C)(C)n2nccn2)ncc1C(F)(F)F
BDBM436382 CNc1nc(Nc2cc(nn2C)C2(C)CCn3ccnc23)ncc1C(F)(F)F
BDBM50518323 Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(c2)C#N)C(F)(F)F)cc1
BDBM50518333 FC1CN(C1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518337 FC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518338 FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50507955 Cc1n[nH]c2ccnc(Nc3ccccc3F)c12
BDBM50507957 Cc1n[nH]c2ccnc(NCc3ccc(Cl)cc3)c12
BDBM50507958 Cc1n[nH]c2ccnc(NC3CCCC3)c12
BDBM50507959 Cc1n[nH]c2ccnc(NCC3CC3)c12
BDBM50507961 Cc1n[nH]c2ccnc(OC3CCCCC3)c12
BDBM50507964 Cc1n[nH]c2ccnc(O[C@@H]3CCOC3)c12 |r|
BDBM50508756 CCc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](CC#N)C1 |r|
BDBM50508757 Cc1nc(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCOCC2(F)F)C(F)(F)F)no1 |r|
BDBM50508759 CN1CC(n2c(Cc3cnc(C)cn3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1
BDBM50507965 Cn1cc(cn1)-c1n[nH]c2ccnc(NC3CCCCC3)c12
BDBM50507969 Cc1nn(C)c2ccnc(NC3CCCCC3)c12
BDBM50507975 Cc1n[nH]c2ccnc(Nc3ccc(C)cc3)c12
BDBM50507977 CN1CCC(CC1)Oc1nccc2[nH]nc(C)c12
BDBM50507978 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(NC3CCCCC3)c12
BDBM50507979 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM50507981 CC(C)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM50508763 CN1CC[C@H](C1)n1c(Cc2cc(C)ncn2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM50508764 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM50507674 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccn[nH]3)c12
BDBM50507675 C1CC(CCO1)Oc1nccc2[nH]nc(-c3cccc(n3)N3CCOCC3)c12
BDBM50507676 CC(C)(O)Cn1cc(cn1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM50507681 CCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)n(C)n1
BDBM50516171 Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
BDBM50507954 Cc1n[nH]c2ccnc(Nc3cccnc3)c12
BDBM50507962 CC(C)Oc1nccc2[nH]nc(C)c12
BDBM50507963 Cc1n[nH]c2ccnc(OC3CCC3)c12
BDBM50507669 CCc1cc(nn1C)-c1n[nH]c2ccnc(NC3CCOCC3)c12
BDBM50507670 FC(F)(F)c1cc(ncn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
BDBM50507671 C1CC(CCO1)Nc1nccc2[nH]nc(-c3ccccn3)c12
BDBM50507966 C1CCC(C1)n1cc(cn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
BDBM50507967 CC(C)Cn1cc(cn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
BDBM50507968 CC(C)n1cc(cn1)-c1n[nH]c2ccnc(OC3CCCCC3)c12
BDBM50507971 Cc1n[nH]c2cncc(NC3CCCCC3)c12
BDBM50507972 Cc1n[nH]c2ccnc(Nc3ccc4ncsc4c3)c12
BDBM50507973 Cc1n[nH]c2ccnc(N3CCOCC3)c12
BDBM50507974 Cc1n[nH]c2ccnc(Nc3cnn(C)c3)c12
BDBM50507976 CN(C1CCCCC1)c1nccc2[nH]nc(C)c12
BDBM50507980 Cc1c[nH]c2ccnc(NC3CCCCC3)c12
BDBM50507982 Cc1n[nH]c2ccnc(NC3CCCCC3)c12
BDBM50507983 Cc1n[nH]c2ccnc(NC3CC3)c12
BDBM50507985 Cc1n[nH]c2ccnc(NC3CCC3)c12
BDBM50507986 CC(C)Nc1nccc2[nH]nc(C)c12
BDBM50508754 CCc1nc2cnc3ccc(Cl)cc3c2n1[C@H]1CCO[C@@H](CC#N)C1 |r|
BDBM50508755 F[C@H]1CC[C@H](C1)n1c(Cc2csnn2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM50508758 CN1CC(n2c(Cn3cc(C)nn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM50508760 CN1CC(n2c(Cn3ncc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1
BDBM50508761 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cn(C)nn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM50508762 [2H]C([2H])([2H])c1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCO[C@H](C)C2)cn1 |r|
BDBM50518329 C[C@H]1CN(C[C@@H](C)O1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1 |r|
BDBM50518330 FC1(F)CN(C1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50507672 C1CC(CCO1)Oc1nccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c12
BDBM50507673 CC(C)n1cc(nn1)-c1n[nH]c2ccnc(NC3CCOCC3)c12
BDBM50512318 C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)|
BDBM50507970 Cc1noc2ccnc(NC3CCCCC3)c12
BDBM50507984 CCOc1nccc2[nH]nc(C)c12
BDBM50507956 Cc1n[nH]c2ccnc(Nc3ccc(Cl)cc3)c12
BDBM50506700 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CCC1
BDBM50535643 O[C@@H]1CCN(C[C@@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
BDBM50535644 CC(C)(O)C1CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N
BDBM50535645 CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
BDBM50535646 CC1(O)CC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)C2(CC3(CC3)C2)C#N)C1
BDBM50535647 [H][C@]12COCCN1CCN(C2)c1cc(nc(C)n1)-n1ncc2cnc(cc12)C1(CC2(CC2)C1)C#N |r|
BDBM50535648 C[C@H]1CN(CCN1C1COC1)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC2(CC2)C1)C#N |r|
BDBM50535082 Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r|
BDBM50507677 Cc1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM50507678 CCc1cc(nn1C)-c1n[nH]c2ccnc(NC(C)C)c12
BDBM50507679 CC(C)c1n[nH]c(n1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
BDBM50507680 CC(C)Nc1nccc2[nH]nc(-c3nnc(C4CC4)n3C)c12
BDBM50526878 FC(F)(F)c1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526879 O=C(Nc1nc2ccccc2s1)c1ccc(cc1)N1CCOCC1
BDBM50526880 Fc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1
BDBM50526881 Fc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526882 COc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526883 CCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526884 CC(C)c1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526885 Fc1ccc2nc(NC(=O)c3ccccc3)sc2c1
BDBM50526886 Cc1cc(cc(C)c1O)-c1ccc2nc(Nc3ccccc3)nn2c1
BDBM50526887 Cc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526888 CCCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526889 Brc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50526890 Clc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1
BDBM50507960 CC[C@H](C)Nc1nccc2[nH]nc(C)c12 |r|
BDBM50535081 Cc1ccc(cc1)-c1cc2nccnc2c(NCCCCN)n1
BDBM50518318 [H][C@@]12COC[C@]1([H])CN(C2)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1 |r|
BDBM50518319 CN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518320 O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCNCC1
BDBM50518321 OC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518322 O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCCC1
BDBM50518326 FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM50518332 CN1CC2(C1)CN(C2)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518334 O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCCCC1
BDBM50518335 COCCN1CCC(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518336 C[C@@H]1COCCN1c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1 |r|
BDBM50521216 CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50536675 FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50536678 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
BDBM50536679 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
BDBM50536681 Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
BDBM50518315 OCC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518316 O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCOCC1
BDBM50518317 CN1CCC(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518324 Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(F)c2)C(F)(F)F)cc1
BDBM50518325 FC(F)(F)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccc(Cl)c1
BDBM50518327 COCCN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518328 CN1CC2(C1)CCN(CC2)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
BDBM50518331 Fc1ccc(COc2ccc(cc2C(=O)Nc2cccc(Cl)c2)C(F)(F)F)cc1
BDBM50518339 O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCC(CC1)C#N
BDBM50536410 COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
BDBM50580006 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC4(COC4)C1)c3c2
BDBM50539946 CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C)c2ccccc2C1=O
BDBM50539947 COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
BDBM50539948 COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
BDBM50539949 CCN1c2cnc(Nc3ccc(NS(C)(=O)=O)cc3OC)nc2N(C)c2ccccc2C1=O
BDBM50539950 COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1
BDBM50539951 COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1
BDBM50539933 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(CC1)C1CCN(C)CC1
BDBM50539934 CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)N3CCC(O)CC3)nc12
BDBM50539935 CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
BDBM50539937 COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1
BDBM50539938 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCN(CC1)C1CCN(C)CC1
BDBM50539939 CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12
BDBM50539943 CCN1c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc2N(C)c2ccccc2C1=O
BDBM50539944 COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
BDBM50539945 COc1cc(ccc1Nc1ncc2N(C(C)C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
BDBM50537742 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
BDBM50541598 CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1
BDBM50539940 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCC3)c2n1)N1CCN(C)CC1
BDBM50539941 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(Cc3ccccc3)c2n1)N1CCN(C)CC1
BDBM50539942 COc1cc(ccc1Nc1nc(C)c2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
BDBM482159 Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM482160 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM492329 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)[C@H]1CCN(C)C[C@H]1F)N1CC(O)C1
BDBM488343 C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-n1ncc2ccc(cc12)-c1cnn(C)c1 |r|
BDBM492314 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(C)CC1(F)F)N1CCOCC1
BDBM492315 CNC(=O)[C@H]1CN(CCO1)c1cc(nc(OC)n1)-n1ncc2cc(C)c(cc12)C1CCN(C)CC1(F)F
BDBM492320 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(CC1(F)F)C1COC1)N1CCOCC1
BDBM492377 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)[C@H]1CCNC[C@H]1F)N1CCOCC1
BDBM492387 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCNCC1(F)F)N1CC(C1)C#N
BDBM492389 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(CC1)C1COC1)N1CC(O)C1
BDBM492390 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)N1CCOCC1)N1CCNCC1
BDBM492391 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCN(CC1F)C1COC1)N1CCO[C@@H](CO)C1
BDBM492392 Cc1cc2cnn(-c3cc(nc(C)n3)N3CCO[C@H](CO)C3)c2cc1C1CCN(CC1)C1COC1
BDBM492393 Cc1cc2cnn(-c3cc(nc(C)n3)N3CCO[C@@H](CO)C3)c2cc1C1CCNCC1
BDBM492394 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCNCC1)N1CCOCC1
BDBM492395 Cc1nc(cc(n1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1COC1)N1CCO[C@H](CO)C1
BDBM492396 COc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CN(C)CCO1)N1CC(O)C1
BDBM492397 Cc1nc(cc(n1)-n1ncc2cc(C)c(cc12)C1CCOCC1)N1CCO[C@@H](CO)C1
BDBM514961 Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
BDBM514962 Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
BDBM514963 Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cnccc1C |r|
BDBM514964 Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514965 Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
BDBM514966 Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cccc(F)c1C |r|
BDBM514967 Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1c(C)cccc1F |r|
BDBM514968 Cc1c(NC(=O)[C@@H]2C[C@@H]2F)nc2ccc(cn12)-c1cncc(F)c1C |r|
BDBM514969 Cc1ccc(F)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514970 Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514971 COC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514972 Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514973 Cl.Cl.Cc1ccc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514974 Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(Cl)n2c1 |r|
BDBM514975 Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)C#N |r|
BDBM514976 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cc[nH]n1 |r|
BDBM514977 Cc1c[nH]nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514978 Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514979 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1Cl |r|
BDBM514980 Cc1cccc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514981 Cc1ccc(N)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514982 CNc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514983 CC(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514984 Cc1ccc(Cl)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514986 Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-c1cc[nH]n1 |r|
BDBM514987 Cc1cc(Cl)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514988 Cc1c(Cl)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514989 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1C(F)(F)F |r|
BDBM514990 Cc1ccc(c(C)c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514991 Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)c(F)n2c1 |r|
BDBM514992 Cc1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514993 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccc2CC(=O)Nc2c1 |r|
BDBM514994 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnccc1C#N |r|
BDBM514995 Cc1c(F)ccc(c1C)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514996 Cc1cc(F)cc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514997 Cc1cc(F)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514998 Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-c1cc[nH]c1 |r|
BDBM514999 Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515000 Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515001 Cc1cc(F)c(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515002 Cc1c(F)c(F)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515003 Cc1c(F)ccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515004 Cc1c(F)c(Cl)ccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515005 Cc1ccnc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515006 COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515007 Cc1cc(N)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515008 Cc1c(F)cc(N)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515009 Cc1ccc2NC(=O)Cc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515010 Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515011 Cc1c[nH]c2ncc(cc12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515012 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1ccc2sc(=O)[nH]c2c1 |r|
BDBM515013 Nc1ccc(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515014 Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1)-n1cccn1 |r|
BDBM515015 OCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515017 COc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515020 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1F |r|
BDBM515021 Cc1c[nH]c2ccc(C)c(-c3ccc4nc(NC(=O)[C@@H]5C[C@@H]5F)cn4c3)c12 |r|
BDBM515022 COCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515023 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1-c1ccco1 |r|
BDBM515018 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cccc(F)c1C#N |r|
BDBM515024 CSc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515025 Cc1cc(F)ncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515026 CC(=O)c1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515027 CN(C)c1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515028 Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3)cn2c1
BDBM515029 Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)cn2c1 |r|
BDBM515030 Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@H]3F)cn2c1 |r|
BDBM515031 Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@H]3F)cn2c1 |r|
BDBM514985 F[C@H]1C[C@H]1C(=O)Nc1cn2cc(ccc2n1)-c1cnc2[nH]ccc2c1 |r|
BDBM515032 NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515033 CC(=O)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515034 Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CCC3)cn2c1
BDBM515035 Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC3(F)F)cn2c1
BDBM515036 Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC(F)C3)cn2c1 |w:15.17,19.20,(4.93,-.52,;6.02,.57,;7.5,.17,;7.9,-1.32,;8.59,1.26,;8.19,2.74,;6.71,3.14,;5.62,2.05,;4.13,2.45,;3.73,3.94,;2.24,4.34,;1.08,3.23,;-.46,3.23,;-.94,1.76,;-2.43,1.36,;-3.51,2.45,;-3.12,3.94,;-5,2.05,;-6.34,2.82,;-7.11,1.49,;-8.59,1.09,;-5.77,.72,;.31,.86,;1.55,1.76,;3.04,1.36,)|
BDBM515037 Cc1c(F)cccc1-c1ccc2nc(NC(=O)C3CC(F)(F)C3)cn2c1
BDBM515038 CNCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515039 CC(C)NCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515040 COCCOCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515041 OCCOCc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM515042 CN(C)Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514959 Cl.Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM514960 Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
BDBM522435 CN1CC(n2c(nc3cnc4ccc(cc4c23)C#N)C2CCC(F)C2)C(F)(F)C1
BDBM522385 C[C@@H]1C[C@@H](CCO1)Nc1c(NC(=O)C2CC[C@H](F)CC2)cnc2ccc(Cl)cc12 |r,wU:16.17,wD:3.7,1.0,(-2.53,5.15,;-2.53,3.61,;-1.2,2.84,;-1.2,1.3,;-2.53,.53,;-3.87,1.3,;-3.87,2.84,;.13,.53,;.13,-1.01,;1.47,-1.78,;2.8,-1.01,;4.14,-1.78,;4.14,-3.32,;5.47,-1.01,;6.8,-1.78,;8.14,-1.01,;8.14,.53,;9.47,1.3,;6.8,1.3,;5.47,.53,;1.47,-3.32,;.13,-4.09,;-1.2,-3.32,;-2.53,-4.09,;-3.87,-3.32,;-3.87,-1.78,;-5.2,-1.01,;-2.53,-1.01,;-1.2,-1.78,)|
BDBM522386 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1C[C@H](F)C1 |r,wU:23.27,wD:3.7,1.0,(8.18,-2.86,;7.71,-4.33,;8.74,-5.47,;8.26,-6.94,;6.76,-7.26,;5.73,-6.11,;6.2,-4.65,;9.29,-8.08,;10.83,-7.92,;11.45,-9.33,;10.31,-10.36,;10.31,-11.9,;8.97,-12.67,;7.64,-11.9,;6.31,-12.67,;4.97,-11.9,;4.97,-10.36,;3.64,-9.59,;6.31,-9.59,;7.64,-10.36,;8.97,-9.59,;11.6,-6.59,;13.08,-6.19,;12.68,-4.7,;13.45,-3.37,;11.2,-5.1,)|
BDBM522387 C[C@@H]1C[C@@H](CCO1)Nc1c(NC(=O)C2C[C@@](C)(F)C2)cnc2ccc(Cl)cc12 |r,wU:15.17,wD:3.7,1.0,15.16,(.69,7.85,;.15,6.41,;1.13,5.22,;.59,3.77,;-.93,3.52,;-1.91,4.71,;-1.37,6.15,;1.57,2.58,;1.4,1.04,;2.74,.27,;3.82,1.36,;5.31,1.76,;6.4,.67,;5.71,3.25,;4.94,4.58,;6.27,5.35,;5.19,6.44,;7.61,6.12,;7.04,4.02,;2.74,-1.27,;1.4,-2.04,;.07,-1.27,;-1.27,-2.04,;-2.6,-1.27,;-2.6,.27,;-3.93,1.04,;-1.27,1.04,;.07,.27,)|
BDBM522388 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)[C@H]1CCOC1 |r|
BDBM522390 CO[C@H]1CC(C1)c1nc2cnc3ccc(Cl)cc3c2n1C1CCO[C@H](C)C1 |r,wU:2.1,wD:24.28,(4.15,5.34,;4.92,4,;4.15,2.67,;4.54,1.16,;3.05,.76,;2.65,2.25,;2.28,-.57,;2.91,-1.98,;1.76,-3.01,;1.76,-4.55,;.43,-5.32,;-.91,-4.55,;-2.24,-5.32,;-3.57,-4.55,;-3.57,-3.01,;-4.91,-2.24,;-2.24,-2.24,;-.91,-3.01,;.43,-2.24,;.75,-.73,;-.28,.41,;-1.79,.09,;-2.82,1.24,;-2.34,2.7,;-.84,3.02,;-.36,4.49,;.19,1.88,)|
BDBM522391 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCOCC1 |r|
BDBM522392 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCC(F)(F)CC1 |r|
BDBM522412 F[C@H]1CCC(CC1)c1nc2cnc3ccc(Cl)cc3c2n1C1CCO[C@H](CC#N)C1 |r,wU:1.0,wD:25.29,(5.13,4.81,;4.36,3.48,;5.13,2.15,;4.36,.81,;2.82,.81,;2.05,2.15,;2.82,3.48,;2.05,-.52,;2.68,-1.93,;1.54,-2.96,;1.54,-4.5,;.2,-5.27,;-1.13,-4.5,;-2.47,-5.27,;-3.8,-4.5,;-3.8,-2.96,;-5.13,-2.19,;-2.47,-2.19,;-1.13,-2.96,;.2,-2.19,;.52,-.68,;-.57,.41,;-2.05,.01,;-3.14,1.1,;-2.75,2.58,;-1.26,2.98,;-.86,4.47,;-1.95,5.56,;-3.04,6.65,;-.17,1.89,)|
BDBM522393 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCCO1 |r|
BDBM522394 CC1CC(CO1)c1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1 |r|
BDBM522395 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1CCC(F)(F)C1 |r|
BDBM522396 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C1COC1 |r|
BDBM522398 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1 |r|
BDBM522399 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)[C@@H]1CC[C@H](F)CC1 |wU:25.29,22.25,3.7,1.0,(1.71,5.89,;3.19,5.46,;3.56,3.97,;5.04,3.54,;6.15,4.6,;5.78,6.1,;4.31,6.53,;5.41,2.04,;6.83,1.46,;6.72,-.08,;5.22,-.44,;4.5,-1.8,;2.96,-1.85,;2.14,-.54,;.61,-.59,;-.21,.72,;.52,2.08,;2.06,2.13,;2.87,.82,;4.41,.87,;-.29,3.39,;-1.1,4.7,;8.14,2.27,;9.5,1.54,;10.81,2.35,;10.76,3.89,;12.07,4.71,;9.4,4.62,;8.09,3.81,)|
BDBM522401 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)(F)CC1 |r|
BDBM522402 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@@](C)(F)C1 |r,wU:24.29,wD:24.28,1.0,(-.33,4.87,;-.72,3.38,;.36,2.29,;-.03,.81,;-1.52,.41,;-2.61,1.5,;-2.21,2.98,;1.06,-.28,;2.59,-.12,;3.21,-1.53,;2.07,-2.56,;2.07,-4.1,;.74,-4.87,;-.6,-4.1,;-1.93,-4.87,;-3.27,-4.1,;-3.27,-2.56,;-1.93,-1.79,;-.6,-2.56,;.74,-1.79,;-4.6,-1.79,;-5.93,-1.02,;3.36,1.21,;2.96,2.7,;4.45,3.1,;3.68,4.43,;5.93,3.5,;4.84,1.61,)|
BDBM522403 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@H](F)C1 |r,wU:24.28,wD:1.0,(.03,4.87,;-.37,3.38,;.72,2.29,;.33,.81,;-1.16,.41,;-2.25,1.5,;-1.85,2.98,;1.41,-.28,;2.95,-.12,;3.57,-1.53,;2.43,-2.56,;2.43,-4.1,;1.09,-4.87,;-.24,-4.1,;-1.57,-4.87,;-2.91,-4.1,;-2.91,-2.56,;-1.57,-1.79,;-.24,-2.56,;1.09,-1.79,;-4.24,-1.79,;-5.57,-1.02,;3.72,1.21,;5.2,1.61,;4.8,3.1,;5.57,4.43,;3.32,2.7,)|
BDBM522404 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCCCC1(F)F |r|
BDBM522405 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C(F)F)[C@H]1CCOC1 |r|
BDBM522406 CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@@](C)(F)C1 |r,wU:23.28,wD:23.27,(-3.38,3.26,;-2.05,2.49,;-.8,3.39,;.44,2.49,;-.03,1.02,;-1.57,1.02,;1.06,-.06,;2.59,.1,;3.21,-1.31,;2.07,-2.34,;2.07,-3.88,;.74,-4.65,;-.6,-3.88,;-1.93,-4.65,;-3.27,-3.88,;-3.27,-2.34,;-1.93,-1.57,;-.6,-2.34,;.74,-1.57,;-4.6,-1.57,;-5.93,-.8,;3.36,1.43,;2.96,2.92,;4.45,3.32,;3.68,4.65,;5.93,3.72,;4.84,1.83,)|
BDBM522407 CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CC[C@H](F)CC1 |r,wU:24.28,(-3.25,2.87,;-1.92,2.1,;-.67,3,;.58,2.1,;.1,.63,;-1.44,.63,;1.19,-.45,;2.72,-.29,;3.35,-1.7,;2.2,-2.73,;2.2,-4.27,;.87,-5.04,;-.47,-4.27,;-1.8,-5.04,;-3.13,-4.27,;-3.13,-2.73,;-1.8,-1.96,;-.47,-2.73,;.87,-1.96,;-4.47,-1.96,;-5.8,-1.19,;3.49,1.04,;5.03,1.04,;5.8,2.37,;5.03,3.71,;5.8,5.04,;3.49,3.71,;2.72,2.37,)|
BDBM522408 CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1C[C@H](F)C1 |r,wU:23.27,(-2.84,3.18,;-1.51,2.41,;-.26,3.32,;.99,2.41,;.51,.95,;-1.03,.95,;1.6,-.14,;3.13,.02,;3.76,-1.39,;2.61,-2.42,;2.61,-3.96,;1.28,-4.73,;-.05,-3.96,;-1.39,-4.73,;-2.72,-3.96,;-2.72,-2.42,;-1.39,-1.65,;-.05,-2.42,;1.28,-1.65,;-4.06,-1.65,;-5.39,-.88,;3.9,1.35,;5.39,1.75,;4.99,3.24,;5.39,4.73,;3.5,2.84,)|
BDBM522409 CN1CCC(C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCOC1
BDBM522410 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C(F)(F)F)C1CCOC1 |r|
BDBM522429 CO[C@H]1C[C@@H](C1)c1nc2cnc3ccc(cc3c2n1C1CCOCC1(F)F)C#N |r,wU:2.1,wD:4.6,(6.45,5.15,;4.96,5.55,;4.19,4.22,;4.59,2.73,;3.1,2.33,;2.71,3.82,;2.33,1,;2.7,-.41,;1.55,-1.44,;1.55,-2.98,;.22,-3.75,;-1.12,-2.98,;-2.45,-3.75,;-3.78,-2.98,;-3.78,-1.44,;-2.45,-.67,;-1.12,-1.44,;.22,-.67,;.19,.96,;-1.15,1.73,;-2.48,.96,;-3.82,1.73,;-3.82,3.27,;-2.48,4.04,;-1.15,3.27,;.39,3.27,;-.38,4.6,;-5.12,-.67,;-6.45,.1,)|
BDBM522421 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(F)cc3c12)C1CCC(F)C1 |r|
BDBM522411 FC1(F)CC(C1)c1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1
BDBM522414 Clc1ccc2ncc3nc([C@H]4CCOC4)n(C4CCOC(CC#N)C4)c3c2c1 |r|
BDBM522415 C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(F)cc3c12)C1C[C@@](C)(F)C1 |wU:23.28,wD:1.0,23.27,(1.71,-4.35,;3.19,-3.92,;3.56,-2.43,;5.04,-2,;6.15,-3.06,;5.78,-4.56,;4.31,-4.99,;5.41,-.5,;6.83,.08,;6.72,1.62,;5.22,1.98,;4.5,3.34,;2.96,3.39,;2.14,2.08,;.61,2.13,;-.21,.82,;.52,-.54,;-.29,-1.85,;2.06,-.59,;2.87,.72,;4.41,.67,;8.14,-.73,;9.64,-.38,;9.99,-1.88,;11.49,-1.53,;10.34,-3.38,;8.49,-2.23,)|
BDBM522416 CN1CC[C@H](C1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1 |r|
BDBM522428 F[C@H]1C[C@@H](C1)c1nc2cnc3ccc(cc3c2n1C1CCOCC1(F)F)C#N |r,wU:1.0,wD:3.5,(5.71,5.55,;4.94,4.22,;5.34,2.73,;3.85,2.33,;3.45,3.82,;3.08,1,;3.44,-.41,;2.29,-1.44,;2.29,-2.98,;.96,-3.75,;-.37,-2.98,;-1.71,-3.75,;-3.04,-2.98,;-3.04,-1.44,;-1.71,-.67,;-.37,-1.44,;.96,-.67,;.93,.96,;-.16,2.05,;-1.65,1.65,;-2.74,2.74,;-2.34,4.22,;-.85,4.62,;.24,3.53,;1.73,3.14,;1.33,4.62,;-4.37,-.67,;-5.71,.1,)|
BDBM50545944 FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
BDBM50545945 Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
BDBM521911 FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
BDBM50545946 FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
BDBM522418 CN1CC[C@H](C1)n1c(nc2cnc3ccc(F)cc3c12)C1CCC(F)C1 |r|
BDBM50557600 Clc1cc2cnn(-c3cnn(c3)C3CCC3)c2cc1C1CCN(CC1)C1COC1
BDBM50557601 CCn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)COC1
BDBM50552703 OC1(CCN(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C1CC1)c1cncs1
BDBM50552704 CO[C@H]1COC[C@H]1N1CCN(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)C2 |r|
BDBM50552705 COCC12CC(C1)(C2)n1cc(cn1)-n1ncc2cc(Cl)c(cc12)N1CCN(CC1)[C@]1(C)COC[C@@H]1O |r|
BDBM50557602 CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)(C2)C#N
BDBM50557603 CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)C2
BDBM50557604 CC1(COC1)N1CCC(CC1)c1cc2n(ncc2cc1C#N)-c1cnn(c1)C1CC1
BDBM50557605 Cn1cc(cn1)-n1ncc2cc(Cl)c(cc12)C1CCN(CC1)C1(C)CCOC1
BDBM50552706 Cc1cc2cnn(-c3cnn(c3)C34CC(C3)C4)c2cc1N1CCN(CC1)[C@@H]1COC[C@@H]1O |r|
BDBM50552707 C[C@]1(CC[C@H]1O)N1CCN(CC1)c1cc2n(ncc2cc1Cl)-c1cnn(c1)C12CC(C1)C2 |r|
BDBM522397 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)[C@H]1CC[C@@H](F)C1
BDBM522400 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)[C@H]1CCOC1
BDBM50558874 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
BDBM50558875 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558876 CCOc1nc(Nc2ccc(cc2Cl)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558858 NC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
BDBM50558859 [H][C@]12CCCN1CCN(C2)C(=O)c1ccc(Nc2nc(OCC)c3cc[nH]c3n2)c(OC)c1 |r|
BDBM50558860 [H][C@@]12CCCN1CCN(C2)C(=O)c1ccc(Nc2nc(OCC)c3cc[nH]c3n2)c(OC)c1 |r|
BDBM50558861 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCC3(CN(C)C3)CC2)nc2[nH]ccc12
BDBM50558862 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CC3(COC3)C2)nc2[nH]ccc12
BDBM50558863 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCC(F)CC2)nc2[nH]ccc12
BDBM50558864 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2C[C@H](C)O[C@H](C)C2)nc2[nH]ccc12 |r|
BDBM50558865 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOC[C@H]2C)nc2[nH]ccc12 |r|
BDBM50558866 CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOC[C@@H]2C)nc2[nH]ccc12 |r|
BDBM50558867 CCOc1nc(Nc2ccc(cc2OC)C(=O)NCC(C)(C)O)nc2[nH]ccc12
BDBM50558868 CCOc1nc(Nc2ccc(cc2N(C)C)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558869 CCOc1nc(Nc2ccc(cc2OC(F)F)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558870 CCOc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)nc2[nH]ccc12
BDBM50558871 CCOc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558872 CCOc1cc(ccc1Nc1nc(OCC)c2cc[nH]c2n1)C(=O)N1CCOCC1
BDBM50558873 CCOc1cc(ccc1Nc1nc(OCC)c2cc[nH]c2n1)C(=O)N1CCN(C)CC1
BDBM50558877 CCOc1nc(Nc2ccc(cc2F)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558878 CCOc1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
BDBM50558879 CCOc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2[nH]ccc12
BDBM522423 CC1(C)CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)C1
BDBM551357 FC1(F)COCCC1n1c(Cn2cncn2)nc2cnc3ccc(Cl)cc3c12
BDBM551354 CN1CC(n2c(Cc3cc(C)on3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551386 CN1CC(n2c(Cn3cnnn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551348 CN1CC(n2c(Cc3noc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM50572916 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COCC2F)cnn1C1CC1
BDBM50572917 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2CS(=O)(=O)C2)cnn1C1CC1
BDBM568882 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccco3)c2c1)C#N
BDBM568864 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(cc1)C#N
BDBM568865 Cc1n[nH]c2ccc(NC(=O)c3ccc(cc3C)C#N)cc12
BDBM568866 Cc1nc(ccc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568867 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568977 Cn1cc(nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568978 Oc1ccc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568979 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-n3ccnc3)c2c1)C#N
BDBM568980 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cccc(n1)C#N
BDBM568981 Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568982 Cc1ncc(o1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568983 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cc(cs3)C#N)c2c1)C#N
BDBM569105 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1
BDBM569106 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(N3CCC3)c2c1)C#N
BDBM569107 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(N3CC(F)(F)C3)c2c1)C#N
BDBM569108 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(OCc3ccccc3)c2c1)C#N
BDBM569109 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(C3COC3)c2c1)C#N
BDBM569110 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3(C)C)c2c1
BDBM568868 COc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568869 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(cn1)C#N
BDBM568870 Cc1ccc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568871 Cc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568872 Cc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568873 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cnc(s1)C#N
BDBM568874 O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N
BDBM568984 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(s3)C#N)c2c1)C#N
BDBM568985 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1nccc(n1)C#N
BDBM568986 Cc1c(n[nH]c1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568987 Cc1c(ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568988 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)C#N
BDBM568989 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-n3cccn3)c2c1)C#N
BDBM569111 COc1cc(nc(C)c1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569112 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCN(CC3)C(=O)OC(C)(C)C)c2c1 |(10.67,1.19,;9.34,.42,;8.01,1.19,;8.01,2.73,;6.67,.42,;6.67,-1.12,;8.01,-1.89,;9.34,-1.12,;10.67,-1.89,;12.01,-2.66,;5.34,1.19,;5.34,2.73,;4,.42,;2.67,1.19,;2.67,2.73,;1.34,3.5,;0,2.73,;-1.46,3.2,;-2.37,1.96,;-1.46,.71,;-1.94,-.75,;-3.44,-1.07,;-4.47,.07,;-5.98,-.25,;-6.46,-1.71,;-5.43,-2.86,;-3.92,-2.54,;-7.96,-2.03,;-8.44,-3.5,;-8.99,-.89,;-10.5,-1.21,;-10.98,-2.67,;-11.53,-.06,;-12.01,-1.53,;0,1.19,;1.34,.42,)|
BDBM569113 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCNCC3)c2c1 |(7.9,.87,;6.56,.1,;5.23,.87,;5.23,2.41,;3.9,.1,;3.9,-1.44,;5.23,-2.21,;6.56,-1.44,;7.9,-2.21,;9.23,-2.98,;2.56,.87,;2.56,2.41,;1.23,.1,;-.1,.87,;-.1,2.41,;-1.44,3.18,;-2.77,2.41,;-4.24,2.88,;-5.14,1.64,;-4.24,.39,;-4.71,-1.07,;-6.22,-1.39,;-7.25,-.25,;-8.76,-.57,;-9.23,-2.03,;-8.2,-3.18,;-6.69,-2.86,;-2.77,.87,;-1.44,.1,)|
BDBM569114 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C3\CCOC3)c2c1
BDBM569115 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCOCC3)c2c1 |(7.9,.87,;6.56,.1,;5.23,.87,;5.23,2.41,;3.9,.1,;3.9,-1.44,;5.23,-2.21,;6.56,-1.44,;7.9,-2.21,;9.23,-2.98,;2.56,.87,;2.56,2.41,;1.23,.1,;-.1,.87,;-.1,2.41,;-1.44,3.18,;-2.77,2.41,;-4.24,2.88,;-5.14,1.64,;-4.24,.39,;-4.71,-1.07,;-6.22,-1.39,;-7.25,-.25,;-8.76,-.57,;-9.23,-2.03,;-8.2,-3.18,;-6.69,-2.86,;-2.77,.87,;-1.44,.1,)|
BDBM568875 O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccnc(c1)C#N
BDBM568876 O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cc(ccn1)C#N
BDBM568877 O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cncc(c1)C#N
BDBM568878 O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cnc(nc1)C#N
BDBM568879 Cc1c(cc(C#N)n1C)C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1
BDBM568880 Cc1oc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C#N
BDBM568881 Cc1ccc(cc1C)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568891 CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568892 Oc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568893 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1)C#N
BDBM568894 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)C#N)c2c1)C#N
BDBM568895 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncc(c3)C#N)c2c1)C#N
BDBM568896 Cc1nc(C#N)n(C)c1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1
BDBM568990 Cc1n[nH]c(C#N)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568991 Brc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568992 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(Cl)s3)c2c1)C#N
BDBM568993 Cc1ncc(s1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568995 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(C#N)c2cccnc12
BDBM569116 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3COC3)c2c1 |(7.46,.77,;6.12,,;4.79,.77,;4.79,2.31,;3.46,,;3.46,-1.54,;4.79,-2.31,;6.12,-1.54,;7.46,-2.31,;8.79,-3.08,;2.12,.77,;2.12,2.31,;.79,,;-.55,.77,;-.55,2.31,;-1.88,3.08,;-3.21,2.31,;-4.68,2.79,;-5.58,1.54,;-4.68,.29,;-5.15,-1.17,;-6.66,-1.49,;-7.95,-.65,;-8.79,-1.94,;-7.5,-2.78,;-3.21,.77,;-1.88,,)|
BDBM569117 COCc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569118 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3C(F)(F)F)c2c1
BDBM569119 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C/C(F)(F)F)c2c1
BDBM569120 CC(=C)c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569121 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(c2c1)C1(C)CC1
BDBM568883 CN(C)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568884 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
BDBM568885 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
BDBM568886 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C3CCOCC3)c2c1)C#N
BDBM568887 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(C)(=O)=O)c2c1)C#N
BDBM568897 Cc1cc(C#N)c(C)nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568898 CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568899 COc1cc(F)cc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568900 COc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568901 COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568902 Cc1cc(ncc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569028 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
BDBM569029 COc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569030 Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
BDBM569031 COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C(F)(F)F)C#N)cc12
BDBM569032 Cc1c(noc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM569122 COC(C)c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569123 CC(C)c1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
BDBM569124 CCc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
BDBM569125 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccnnc3)c2c1)C#N
BDBM569126 Cc1cc(cnn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568903 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccnc3)c2c1)C#N
BDBM568904 Cc1cc(ccc1F)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568905 COc1ccc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568906 COc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568907 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2c1)C#N
BDBM568908 Cc1ccc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM569033 Cc1c(noc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569034 CC(C)c1ncc(o1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569035 Cc1cccc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569036 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cn[nH]c3)c2c1
BDBM569037 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569038 Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cnn(c4)C(F)F)c3c2)c(C)c(C)c1C#N
BDBM569127 CC(=C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
BDBM569128 Cc1n[nH]c2ccc(NC(=O)c3nc(C)c(C#N)c(C)c3Cl)cc12
BDBM569129 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C=C3CCC3)c2c1 |(7.46,.77,;6.12,,;4.79,.77,;4.79,2.31,;3.46,,;3.46,-1.54,;4.79,-2.31,;6.12,-1.54,;7.46,-2.31,;8.79,-3.08,;2.12,.77,;2.12,2.31,;.79,,;-.55,.77,;-.55,2.31,;-1.88,3.08,;-3.21,2.31,;-4.68,2.79,;-5.58,1.54,;-4.68,.29,;-5.15,-1.17,;-6.66,-1.49,;-7.95,-.65,;-8.79,-1.94,;-7.5,-2.78,;-3.21,.77,;-1.88,,)|
BDBM569130 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
BDBM569131 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
BDBM569132 CCc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM568909 Cc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568910 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnn(C)c3)c2c1)C#N
BDBM568911 Cc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568912 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)C(F)(F)F)c2c1)C#N
BDBM568913 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(nc3)C(F)(F)F)c2c1)C#N
BDBM568914 Cc1cc(F)cc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM569039 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccn(C)c3)c2c1
BDBM569040 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(C)c3)c2c1
BDBM569041 Fc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569042 COc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
BDBM569043 Cc1cc(cc(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569044 Cc1cc(cc(C)n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569135 C\C=C\c1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
BDBM569133 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cccn(C)c3=O)c2c1
BDBM569134 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccncc3)c2c1
BDBM569136 Cc1nc(C(=O)Nc2ccc3[nH]nc(C4CC4)c3c2)c(Cl)c(C)c1C#N
BDBM569137 CCc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(c3C)C(F)(F)F)cc12
BDBM569138 COc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(c3C)C(F)(F)F)cc12
BDBM568888 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(cc3)C(F)(F)F)c2c1)C#N
BDBM568889 Cc1oncc1-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568890 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncc(c3)N3CCOCC3)c2c1)C#N
BDBM568915 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)C3CC3)c2c1)C#N
BDBM568916 Cc1ccc(cc1F)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568917 FC(F)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568918 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ncc(s1)C#N
BDBM568919 Clc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568920 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM569045 FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3C(F)(F)F)cc12
BDBM569046 Cc1ccc(C#N)c(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
BDBM569047 COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3c(C)c(nn3C)C#N)cc12
BDBM569048 Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
BDBM569049 Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569050 Cc1coc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569139 Cc1c(ncc(C#N)c1C(F)(F)F)C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
BDBM569140 COc1n[nH]c2ccc(NC(=O)c3nc(C)c(C#N)c(C)c3C)cc12
BDBM569141 Cc1cc(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C(F)(F)F
BDBM569142 Cc1c(ncc(C#N)c1C(F)(F)F)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569143 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(C#N)c2c1
BDBM569144 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(C(F)F)c2c1
BDBM568921 COc1cncc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568922 COc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568923 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1)C#N
BDBM568924 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc4ocnc4c3)c2c1)C#N
BDBM568925 COc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568926 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1)C#N
BDBM569051 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ncco3)c2c1
BDBM569052 Fc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569053 COc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569054 COc1cc(cc(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
BDBM569055 Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cnco4)c3c2)c(C)c(C)c1C#N
BDBM569056 Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569145 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C(F)F)c2c1
BDBM569146 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(c2c1)C(F)(F)F
BDBM569147 CC(C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
BDBM569148 CC(C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
BDBM569149 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(c2c1)S(C)(=O)=O
BDBM569150 Cc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569151 Cc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
BDBM568927 Cc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568928 CCc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568929 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3coc(c3)C#N)c2c1)C#N
BDBM568930 Fc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568931 Cc1cc(cc(n1)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568932 Fc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569057 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccn(n3)C(F)F)c2c1
BDBM569058 CCOc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569059 O=C(Nc1ccc2[nH]nc(-c3cnco3)c2c1)c1ncc(C#N)c2CCCc12
BDBM569061 COc1cc(cc(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569062 Clc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569152 COc1c(ccc(C)c1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
BDBM569153 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(Br)c2c1
BDBM569154 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(Cl)c2c1
BDBM569155 Cc1n[nH]c2ccc(NC(=O)c3nc(Br)c(C#N)c(C)c3C)cc12
BDBM569156 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
BDBM568933 Cc1cc(cnc1C(=O)Nc1cc(C)c2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568934 Cc1nn(C)c(C#N)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568935 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cc(on1)C#N
BDBM568936 CCc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568937 C=Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568938 Cc1cc(nc(C)c1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568939 Clc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569063 Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cnoc4)c3c2)c(C)c(C)c1C#N
BDBM569064 COc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569065 FC(F)(F)Oc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569066 Cc1c(cc(C#N)c(=O)n1C)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569067 CC(=C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569068 CN1CCC(CC1)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM568940 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(I)c2c1)C#N
BDBM568941 Cc1cc(NC(=O)c2cccc(C#N)c2C)cc2c(n[nH]c12)-c1ccoc1
BDBM568942 Brc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568943 Cc1c(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(nn1C)C#N
BDBM568944 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1cc(sn1)C#N
BDBM568945 Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568946 Cc1c(nn(C)c1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568996 Cc1cc(cnc1C(=O)Nc1cc(F)c2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568997 Clc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568998 Cc1nc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569069 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
BDBM569070 CC(C)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569071 O=C(Nc1ccc2[nH]nc(-c3cnoc3)c2c1)c1ncc(C#N)c2CCCc12
BDBM569072 COc1cc(cc(C)n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569073 Clc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569074 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C3COC3)c2c1
BDBM569027 Cc1ncc(o1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM568947 Cc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568948 Clc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568949 Cn1c(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568950 Cn1nc(cc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568951 Cc1ccccc1-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568952 COc1ccccc1-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568999 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569000 Cc1ncc(nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569001 Cc1ccc(nc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569002 CCc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569003 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ncc(cc1C#C)C#N
BDBM569004 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(=O)n(C)c3)c2c1)C#N
BDBM569075 Cc1nc(C(=O)Nc2ccc3[nH]nc(-c4cncs4)c3c2)c(C)c(C)c1C#N
BDBM569076 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
BDBM569077 Cn1cc(cc(C#N)c1=O)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569078 CC(C)c1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569079 COc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
BDBM569080 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cncs3)c2c1
BDBM568954 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccno3)c2c1)C#N
BDBM568955 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(CN4CCOCC4)s3)c2c1)C#N
BDBM568956 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccnc(Br)c3)c2c1)C#N
BDBM568957 Cc1c(nc(C#N)n1C)C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1
BDBM569005 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccn(C)c(=O)c3)c2c1)C#N
BDBM569006 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccn(C)n3)c2c1)C#N
BDBM569007 Oc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569008 Cc1cc(cnc1C(=O)Nc1cc2c(n[nH]c2cn1)-c1ccoc1)C#N
BDBM569009 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cscn3)c2c1)C#N
BDBM569010 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1
BDBM569081 COc1c(ccnc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569082 Cc1cc(on1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569083 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3ccncn3)c2c1
BDBM569084 CCc1c(ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569085 CCc1c(ccnc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569086 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\C3CC3)c2c1
BDBM568855 Brc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568854 Fc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM559593 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)-c3ccc(F)cc3)nc12
BDBM568959 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(Br)c2c1)C#N
BDBM568960 Oc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568961 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccc(cc3)C(=O)N3CCOCC3)c2c1)C#N
BDBM568962 CC(C)Oc1cncc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568963 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncs3)c2c1)C#N
BDBM568964 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569013 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnsc3)c2c1)C#N
BDBM569014 Cc1cc(cnc1C(=O)Nc1ncc2[nH]nc(-c3ccoc3)c2n1)C#N
BDBM569015 Cc1cc(nnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569016 FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3c(F)ccc(C#N)c3F)cc12
BDBM569011 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569012 COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569087 COc1c(ccc(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569088 Cc1cc(on1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM569089 Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
BDBM569090 Cc1nccc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM569091 Cc1c(C)c(ncc1C#N)C(=O)Nc1cc2c(n[nH]c2cn1)-c1cnco1
BDBM569092 Cc1c(nn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM568856 Fc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568857 Ic1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568858 Clc1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568859 FC(F)(F)c1cc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568860 Fc1cc(cc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568965 Cc1cccc(n1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM568966 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C#N)c2c1)C#N
BDBM568967 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccccn3)c2c1)C#N
BDBM568968 C[C@H]1CN(C[C@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
BDBM568969 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ncc(C#N)c2ccsc12
BDBM568970 C[C@H]1C[C@@H](C)CN(C1)c1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
BDBM569017 COc1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
BDBM569018 Cc1cc(cc(F)c1C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)F)c2c1)C#N
BDBM569019 FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3Cl)cc12
BDBM569020 FC(F)n1cc(cn1)-c1n[nH]c2ccc(NC(=O)c3cccc(C#N)c3F)cc12
BDBM569021 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1
BDBM569022 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C(F)(F)F)c2c1
BDBM569093 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cn(C)nn3)c2c1
BDBM569094 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cn(C)nn3)c2c1)C#N
BDBM569095 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-n3ccoc3=O)c2c1)C#N
BDBM569096 CC(C)=Cc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12 |(-7.69,-2.96,;-7.21,-1.49,;-8.24,-.35,;-5.7,-1.17,;-5.23,.29,;-6.13,1.54,;-5.23,2.79,;-3.76,2.31,;-2.43,3.08,;-1.1,2.31,;-1.1,.77,;.24,,;1.57,.77,;1.57,2.31,;2.91,,;2.91,-1.54,;4.24,-2.31,;5.57,-1.54,;6.91,-2.31,;8.24,-3.08,;5.57,,;6.91,.77,;4.24,.77,;4.24,2.31,;-2.43,,;-3.76,.77,)|
BDBM569097 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
BDBM569098 C\C=C\c1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3C)cc12
BDBM568863 Cc1cc(cc(C)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568861 Cc1nc(ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568862 O=C(Nc1ccc2[nH]nc(-c3ccoc3)c2c1)c1ccc(nc1)C#N
BDBM568971 C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
BDBM568972 C[C@H]1CN(C[C@@H](C)O1)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12 |r|
BDBM568973 Fc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
BDBM568974 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cncc(Cl)c3)c2c1)C#N
BDBM568975 Fc1ccc(cc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM568976 Cc1c(cnn1C)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C)C#N)cc12
BDBM569023 COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)c3ccnc(C#N)c3F)cc12
BDBM569024 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cncc(Cl)c3)c2c1
BDBM569025 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(CF)c3)c2c1
BDBM569026 FC(F)(F)c1c(cccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1)C#N
BDBM569099 Cc1c(cn(C)c1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569100 Cn1cc(cc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569101 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1
BDBM569102 COc1cc(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1
BDBM569103 CC(=C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569104 CC(C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569157 COc1nc(C(=O)Nc2ccc(N)c(c2)C(=N)C2CC2)c(C)c(C)c1C#N
BDBM569158 Cc1nc(C(=O)Nc2ccc(N)c(c2)C(=N)C2CC2)c(C)c(C)c1C#N
BDBM569159 CC(=N)c1cc(NC(=O)c2ncc(C#N)c(Cl)c2C)ccc1N
BDBM569160 CC(=N)c1cc(NC(=O)c2nc(Cl)c(cc2C)C#N)ccc1N
BDBM569161 COc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
BDBM569162 Clc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnoc3)c2c1)C#N
BDBM569163 O=C(Nc1ccc2[nH]nc(-c3cnoc3)c2c1)c1ncc(cc1C1CC1)C#N
BDBM569164 COc1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3ncc(cc3C3CC3)C#N)cc12
BDBM569165 O=C(Nc1ccc2[nH]nc(-c3cnco3)c2c1)c1ncc(cc1C1CC1)C#N
BDBM569166 CC(=C)c1cc(cnc1C(=O)Nc1ccc2[nH]nc(C)c2c1)C#N
BDBM569167 Cc1c(C)c(ncc1C#N)C(=O)Nc1cc(F)c2[nH]ncc2c1
BDBM569168 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(F)c2c1
BDBM569169 Cc1n[nH]c2ccc(NC(=O)c3c(F)ccc(C#N)c3C)cc12
BDBM569170 CSc1n[nH]c2ccc(NC(=O)c3nc(Cl)c(C#N)c(C)c3C)cc12
BDBM577558 C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
BDBM577556 C[C@H]1OCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM569171 Clc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cnco3)c2c1)C#N
BDBM569172 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)P(C)(C)=O)c2c1)C#N
BDBM569173 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(Cl)c2c1
BDBM569174 COc1nc(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)c(C)c(C)c1C#N
BDBM569175 COc1nc(C(=O)Nc2ccc3[nH]nc(C)c3c2)c(C)c(C)c1C#N
BDBM569176 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(CCCN3CCCCC3)c2c1)C#N
BDBM569177 Cc1c(C)c(C#N)c(Cl)nc1C(=O)Nc1ccc2[nH]nc(Br)c2c1
BDBM569178 Cc1n[nH]c2ccc(NC(=O)c3nc(C)c(C#N)c(C)c3C)cc12
BDBM569179 Cc1n[nH]c2ccc(NC(=O)c3ncc(C#N)c(C)c3Cl)cc12
BDBM569180 Cc1c(C)c(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1)C(F)F
BDBM569181 Cc1c(C)c(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1)C(F)(F)F
BDBM569182 COc1n[nH]c2ccc(NC(=O)c3nc(Br)c(C#N)c(C)c3C)cc12
BDBM569183 Cc1c(C)c(C#N)c(Br)nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
BDBM50572912 C[C@H]1CC(CCN1C1COC1)c1cc2nc(Nc3cnn(C4CC4)c3C)ncc2cc1Cl |r|
BDBM50572913 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2(C)COC2)cnn1C1CCOC1
BDBM50572914 Cc1cc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)sn1
BDBM569184 Cc1c(Cl)c(nc(Cl)c1C#N)C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
BDBM569185 Cc1c(C)c(C#N)c(C=C)nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1
BDBM569186 CCc1nc(C(=O)Nc2ccc3[nH]nc(C4CC4)c3c2)c(C)c(C)c1C#N
BDBM569187 Cc1c(C)c(C#N)c(nc1C(=O)Nc1ccc2[nH]nc(C3CC3)c2c1)C1CC1
BDBM569188 Cc1c(C)c(ncc1C#N)C(=O)Nc1ccc2[nH]nc(-c3cnn(c3)C3CC3)c2c1
BDBM50572915 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COCC2C#N)cnn1C1CC1
BDBM568953 Cc1cc(cnc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2n1)C#N
BDBM559573 C[n]1C=C(c2cnc(Nc3cnn(C)c3Cl)nc12)C(F)(F)F |c:2|
BDBM559574 COc1nn(cc1Nc1ncc2c(Cl)cn(C)c2n1)C(C)C
BDBM559575 CC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(Cl)n1
BDBM559576 Cn1cc(Cl)c2cnc(Nc3cn(nc3C(F)(F)F)C3CCOCC3)nc12
BDBM559577 Cn1ncc(Nc2ncc3c(Cl)cn(C)c3n2)c1Cl
BDBM559578 CCn1cc(Cl)c2cnc(Nc3cnn(C)c3Cl)nc12
BDBM559579 CC(C)n1cc(Nc2ncc3c(Cl)cn(C(C)C)c3n2)c(Cl)n1
BDBM559580 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C(C)C)nc12
BDBM559581 CC(C)n1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(n1)C(F)(F)F
BDBM559582 COCCn1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(n1)C(F)(F)F
BDBM559583 CCCCn1cc(Nc2ncc3c(Cl)cn(C)c3n2)c(n1)C(F)(F)F
BDBM559584 CCn1cc(Cl)c2cnc(Nc3cn(CCOC)nc3Cl)nc12
BDBM559585 CCn1cc(Cl)c2cnc(Nc3cn(CC4CC4)nc3Cl)nc12
BDBM559586 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CC3)nc12
BDBM559587 Clc1nn(cc1Nc1ncc2c(Cl)cn(C3CC3)c2n1)C1CC1
BDBM559588 CCn1cc(Cl)c2cnc(Nc3cnn(C4COC4)c3Cl)nc12
BDBM559589 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(C)CC3)nc12
BDBM559590 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCOCC3)nc12
BDBM559591 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CC(C)OC(C)C3)nc12
BDBM559592 CCN1CCC(CC1)n1cc(Nc2ncc3c(Cl)cn(CC)c3n2)c(Cl)n1
BDBM559594 CCn1cc(Cl)c2cnc(Nc3cnn(c3Cl)-c3ccc(Cl)cc3)nc12
BDBM559595 CC(=O)N1CCC(CC1)n1ncc(Nc2ncc3c(Cl)cn(C)c3n2)c1Cl
BDBM559596 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C3CC3)nc12
BDBM559597 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(C)(=O)=O)nc12
BDBM559598 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(C)C)nc12
BDBM559599 Cn1cc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
BDBM559600 CCn1cc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
BDBM559601 Clc1cn(C2CC2)c2nc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)ncc12
BDBM559602 CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)cn(C4CC4)c3n2)c(Cl)n1
BDBM559603 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)N3CCOCC3)nc12
BDBM559604 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)N3CCN(C)CC3)nc12
BDBM559605 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(C)(C)C)nc12
BDBM559606 CCn1cc(Cl)c2cnc(Nc3c(C)nn(C4CCN(CC4)S(C)(=O)=O)c3C)nc12
BDBM559607 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(=O)(=O)C3CC3)nc12
BDBM559608 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@@H]3CCN(C3)S(C)(=O)=O)nc12 |r|
BDBM559609 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@H]3CCN(C3)S(C)(=O)=O)nc12 |r|
BDBM559610 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@@H]3CCN(C3)C(=O)C3CCCC3)nc12 |r|
BDBM559611 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)[C@H]3CCN(C3)C(=O)C3CCCC3)nc12 |r|
BDBM559612 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CN(C3)S(C)(=O)=O)nc12
BDBM559613 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CN(C3)C(=O)C3CC3)nc12
BDBM559614 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)S(C)(=O)=O)nc12
BDBM559615 CCn1cc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)C(=O)C3CC3)nc12
BDBM559617 CCn1nc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
BDBM559618 CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)nn(C4CC4)c3n2)c(Cl)n1
BDBM559619 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(=O)(=O)C3CC3)nc12
BDBM559620 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(F)(F)F)nc12
BDBM559621 CS(=O)(=O)N1CCC(CC1)n1cc(Nc2ncc3c(Cl)nn(CC(F)(F)F)c3n2)c(Cl)n1
BDBM559622 FC(F)(F)Cn1nc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)C4COC4)c3Cl)nc12
BDBM559623 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)S(C)(=O)=O)nc12
BDBM559624 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCCN(CC3)C(=O)C3CC3)nc12
BDBM559625 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C(C)(C)C)nc12
BDBM559626 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)N3CCOCC3)nc12
BDBM559627 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(C)(=O)=O)nc12
BDBM559628 CCn1nc(Cl)c2cnc(Nc3c(Cl)nn(C4CCN(CC4)C(=O)C4CC4)c3C)nc12
BDBM559629 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(=O)C3CC3)nc12
BDBM559630 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)C(C)=O)nc12
BDBM559631 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CCN(CC3)S(=O)(=O)CC)nc12
BDBM559632 CCn1nc(Cl)c2cnc(Nc3cn(nc3Cl)C3CN(C3)C(=O)C3CC3)nc12
BDBM559633 CCn1nc(Cl)c2cnc(Nc3cnn(C4CN(C4)C4COC4)c3Cl)nc12
BDBM559634 CCn1nc(Cl)c2cnc(Nc3cnn(C4CCN(CC4)S(C)(=O)=O)c3Cl)nc12
BDBM551328 CN1C[C@@H](n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 |r|
BDBM551329 COc1cnn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CCOCC2(F)F)c1 |r|
BDBM551330 COc1cnn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCOCC2(F)F)c1 |r|
BDBM551331 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cn3nc(C)sc3n2)nc2cnc3ccc(F)cc3c12 |r|
BDBM551333 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCCC1 |r|
BDBM551334 Cc1nc2cnc3ccc(Cl)cc3c2n1C1CCOC(CC#N)C1
BDBM551335 CN1CC(n2c(Cc3noc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1
BDBM551352 CN1CC(n2c(Cn3nnc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551353 CN1CC(n2c(Cc3cnc(C)cn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551356 COCc1cn(Cc2nc3cnc4ccc(F)cc4c3n2C2CN(C)CC2(F)F)nn1
BDBM551358 COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1
BDBM551374 CC1(C)CC(CCO1)n1c(Cn2cncn2)nc2cnc3ccc(Cl)cc3c12
BDBM551375 COc1cnn(Cc2nc3cnc4ccc(Cl)cc4c3n2CC(C)(F)F)c1
BDBM551376 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(cn2)C(F)(F)F)nc2cnc3ccc(F)cc3c12 |r|
BDBM551377 C[C@@H]1C[C@@H](CCO1)n1c(Cc2nnc(C)s2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551378 Cc1nc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)no1
BDBM551379 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cc(C)ncn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551380 Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CC[C@H](F)C2)cn1 |r|
BDBM551397 FC1(F)COCCC1n1c(Cn2cc(nn2)C2CC2)nc2cnc3ccc(Cl)cc3c12
BDBM551398 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(CO)cn2)nc2cnc3ccc(F)cc3c12 |r|
BDBM50567869 Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
BDBM551336 CN1CC[C@H](C1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551359 Cc1nc(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCN(CC(F)(F)F)C2)C#N)no1 |r|
BDBM551381 CC(Cc1nc2cnc3ccc(Cl)cc3c2n1[C@@H]1CCO[C@H](C)C1)C#N |r|
BDBM551399 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551306 CN1C[C@H](n2c(Cn3ncc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1 |r|
BDBM551307 CN1C[C@@H](n2c(Cn3ncc(C)n3)nc3cnc4ccc(cc4c23)C#N)C(F)(F)C1 |r|
BDBM551308 Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CCOCC2(F)F)no1 |r|
BDBM551310 Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CCOCC2(F)F)cn1 |r|
BDBM551311 Cc1cnc(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CCOCC2(F)F)cn1 |r|
BDBM551312 C[C@@H]1CC(CCO1)n1c(Cc2cn(C)nn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551313 Clc1ccc2ncc3nc(C4CCC4)n(C4CCO[C@@H](CC#N)C4)c3c2c1 |r|
BDBM551337 CN1CC[C@H](C1)n1c(Cn2nnc(C)n2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551338 CN1CC[C@H](C1)n1c(Cc2cc(C)no2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551339 COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCN(C)C2)C#N)c1 |r|
BDBM551340 CN1CC[C@H](C1)n1c(Cc2nnc(C)s2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551341 CN1CC[C@H](C1)n1c(Cc2ncc(C)o2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551342 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(cn2)C(F)(F)F)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551343 CN1CC[C@H](C1)n1c(Cc2cc(C)ncn2)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551360 COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCO[C@H](C)C2)C#N)c1 |r|
BDBM551361 C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551362 Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOC(C2)C(F)F)no1
BDBM551363 Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)no1
BDBM551364 C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551365 CN1CC[C@H](C1)n1c(Cn2cc(C)nn2)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551366 C[C@@H]1C[C@@H](CCO1)n1c(Cc2csnn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551382 FC1CCC(C1)n1c(Cc2csnn2)nc2cnc3ccc(F)cc3c12
BDBM551383 C[C@@H]1C[C@@H](CCO1)n1c(CCC#N)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551384 C[C@@H]1C[C@@H](CCO1)n1c(Cn2nnc(C)n2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551387 CN1CC(n2c(Cc3ncn(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551388 CN1CC(n2c(Cc3cn4nc(C)sc4n3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1
BDBM551314 Clc1ccc2ncc3nc(C4CCC4)n(C4CCO[C@H](CC#N)C4)c3c2c1 |r|
BDBM551315 COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCO[C@H](C)C2)C(F)F)c1 |r|
BDBM551316 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(cc3c12)C(F)F |r|
BDBM551317 C[C@@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C(O)c1cnc(C)cn1 |r|
BDBM551318 C[C@H]1C[C@@H](CCO1)n1c(nc2cnc3ccc(Cl)cc3c12)C(O)c1cnc(C)cn1 |r|
BDBM551319 CN1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
BDBM551320 CN1C[C@@H](n2c(Cn3cncn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
BDBM551344 COc1cnn(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CCO[C@H](C)C2)C(F)(F)F)c1 |r|
BDBM551345 CN1CC[C@H](C1)n1c(Cc2noc(C)n2)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551346 CN1CC(n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551347 COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CN(C)CC2(F)F)nn1
BDBM551349 Cc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)nn1
BDBM551350 CN1CC(n2c(Cn3cc(nn3)C3CC3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551367 C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(F)cc3c12 |r|
BDBM551368 F[C@H]1CC[C@H](C1)n1c(Cc2nc3ccccc3o2)nc2cnc3ccc(cc3c12)C#N |r|
BDBM551369 C[C@@H]1C[C@@H](CCO1)n1c(Cn2cncn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551370 CN1CC[C@H](C1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(Cl)cc3c12 |r|
BDBM551371 Cc1cc(Cc2nc3cnc4ccc(cc4c3n2[C@@H]2CC[C@H](F)C2)C#N)no1 |r|
BDBM551372 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cscn2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551373 C[C@@H]1C[C@@H](CCO1)n1c(Cc2nnc(C)o2)nc2cnc3ccc(cc3c12)C(F)(F)F |r|
BDBM551390 CN1CC(n2c(Cn3ncc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551392 CN1CC(n2c(Cc3nnc(C)s3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1
BDBM551393 C[C@@H]1C[C@@H](CCO1)n1c(Cn2cc(C)nn2)nc2cnc3ccc(cc3c12)C(F)F |r|
BDBM551394 C[C@@H]1C[C@@H](CCO1)n1c(Cc2cc(C)on2)nc2cnc3ccc(cc3c12)C(F)F |r|
BDBM551395 Cc1nnc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCOCC2(F)F)s1
BDBM551321 CN1C[C@H](n2c(Cn3cc(C)nn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
BDBM551322 CN1C[C@@H](n2c(Cn3cc(C)nn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
BDBM551323 CN1C[C@H](n2c(Cc3cnc(C)cn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
BDBM551324 CN1C[C@@H](n2c(Cc3cnc(C)cn3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 |r|
BDBM551325 COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@H]2CN(C)CC2(F)F)nn1 |r|
BDBM551326 COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CN(C)CC2(F)F)nn1 |r|
BDBM551327 CN1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 |r|
BDBM50582726 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(CC4(O)COC4)c3C)nc2n1C |r|
BDBM50582727 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(nc3C)C3COC3)nc2n1C |r|
BDBM50582732 Cn1c(c(C#N)c2c(N)ncnc12)-n1cccc1
BDBM50583973 Clc1cccc(c1)-c1c[nH]c2nccc(N3CCOCC3)c12
BDBM50584326 Cc1c(Nc2ncc3ccc(cc3n2)C2(CC2)C#N)cnn1C1CCOCC1
BDBM50584327 Cc1c(Nc2ncc3ccc(cc3n2)-c2ccn[nH]2)cnn1C1CCOCC1
BDBM50584330 FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1CCOC1
BDBM50584331 FC1COCC1N1CCC(C(F)C1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM50582728 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C4COC4)c3C)nc2n1C |r|
BDBM50582729 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(nc3C)C3CCOC3)nc2n1C |r|
BDBM50582730 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@@H]4CCOC4)c3C)nc2n1C |r|
BDBM50580007 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCN(CC1)C1COC1)c3c2
BDBM50582700 Cn1c(NCc2ccccc2F)c(C#N)c2c(N)ncnc12
BDBM50582701 Cn1c(NCc2ccccc2)c(C#N)c2c(N)ncnc12
BDBM50582720 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3c[nH]nc3C)nc2n1C |r|
BDBM50582702 Cn1c(c(C#N)c2c(N)ncnc12)-c1ccccc1
BDBM50582706 Cn1c(N2CCCC2)c(C#N)c2c(N)ncnc12
BDBM50584328 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1 |r|
BDBM50580008 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC(CC1)N1CCCC1)c3c2
BDBM50580009 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC(CC1)N1CCOCC1)c3c2
BDBM50584329 Cc1c(Nc2ncc3cccc(C4CC4)c3n2)cnn1C1CCOCC1
BDBM50583979 Clc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
BDBM50583984 CC(=O)NC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
BDBM50583988 CN(CCO)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
BDBM50583990 OCCCNc1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
BDBM50583991 CC(CO)CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
BDBM50582077 CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
BDBM50585188 Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
BDBM50582722 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C(F)(F)F)nc2n1C |r|
BDBM50582723 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(CC(C)(C)O)nc3C)nc2n1C |r|
BDBM50582724 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(CC(C)(C)O)c3C)nc2n1C |r|
BDBM50582725 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(CC4(O)COC4)nc3C)nc2n1C |r|
BDBM50582707 C[C@@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C |r|
BDBM50582712 C[C@@H]1CCCN1c1c(C#N)c2c(N)nccc2n1C |r|
BDBM50582713 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(N)nc2n1C |r|
BDBM50582714 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C |r|
BDBM50582715 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C |r|
BDBM50582716 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C |r|
BDBM50582708 C[C@H]1CCCN1c1c(C#N)c2c(N)ncnc2n1C |r|
BDBM50582709 C[C@@H]1CCCN1c1[nH]c2ncnc(N)c2c1C#N |r|
BDBM50582731 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn([C@H]4CCOC4)c3C)nc2n1C |r|
BDBM50584316 FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl)C1COC1
BDBM50584317 FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2F)C2COC2)c1Cl
BDBM50584318 FC1CN(CCC1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COC1
BDBM50584319 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)cnn1C1CC1
BDBM50584320 CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)c1Cl
BDBM50584321 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
BDBM50584322 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CC1
BDBM50582733 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)cc2n1C |r|
BDBM50582703 Cn1c(c(C#N)c2c(N)ncnc12)-c1cccc(F)c1F |(8.25,-20.75,;7.77,-19.29,;8.68,-18.04,;7.77,-16.79,;8.25,-15.33,;8.72,-13.87,;6.3,-17.27,;4.97,-16.5,;4.96,-14.96,;3.64,-17.27,;3.64,-18.82,;4.97,-19.59,;6.3,-18.81,;10.22,-18.04,;10.97,-16.71,;12.51,-16.7,;13.29,-18.04,;12.52,-19.37,;13.29,-20.71,;10.98,-19.37,;10.2,-20.71,)|
BDBM50580010 O=C1NCCCOc2ccc3[nH]nc(-c4ccc(C5CC5)c(CO1)c4)c3c2
BDBM50580011 O=C1NCCCOc2ccc3[nH]nc(-c4csc(CCO1)n4)c3c2
BDBM50582710 C[C@@H]1CCCN1c1cc2c(N)ncnc2n1C |r|
BDBM577567 C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3O[C@@H]3CN(C(C)=O)C3(C)C)nc12)C#N |r|
BDBM577568 C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3O[C@H]3CN(C(C)=O)C3(C)C)nc12)C#N |r|
BDBM577570 C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3ccc(cc3OC3COC3)C(C)(C)O)nc12)C#N |r|
BDBM577571 C[C@@H](Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
BDBM577572 C[C@H](Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
BDBM577573 C[C@@H]1OC[C@@H]1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM577574 C[C@H]1OC[C@H]1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM577575 C[C@@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
BDBM577576 C[C@@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
BDBM577577 C[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
BDBM577578 CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1 |r|
BDBM577579 CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@@H]3COC[C@@H]3C)c2n1)[C@H](C)C#N |r|
BDBM577580 CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@@H]3COC[C@@H]3C)c2n1)[C@@H](C)C#N |r|
BDBM577581 CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1)[C@H](C)C#N |r|
BDBM577582 CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@H]3C)c2n1)[C@@H](C)C#N |r|
BDBM577583 Cn1cc(Nc2ncc3cc(C#N)n([C@@H]4CCOC4)c3n2)c(OC2COC2)n1 |r|
BDBM577584 Cn1cc(Nc2ncc3cc(C#N)n([C@H]4CCOC4)c3n2)c(OC2COC2)n1 |r|
BDBM577585 CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(OC4COC4)nc3O[C@H](C)C(F)(F)F)nc12)C#N |r|
BDBM577586 CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3ccc(cc3OC3COC3)C(C)(C)O)nc12)C#N |r|
BDBM577587 CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(nc3OC(C)C)[C@H](C)C#N)nc12)C#N |r|
BDBM50585187 Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
BDBM577588 CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(nc3OC(C)C)[C@@H](C)C#N)nc12)C#N |r|
BDBM577590 CO[C@@H]1COC[C@H]1n1c(cc2cnc(Nc3ccc(cc3OC3COC3)C(C)(C)O)nc12)C#N |r|
BDBM577591 CO[C@@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC(C)C)nc12)C#N |r|
BDBM577592 CO[C@H]1COC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC(C)C)nc12)C#N |r|
BDBM577593 CC(C)Oc1nn(cc1Nc1ncc2cc(C#N)n(C3COC3)c2n1)C(C)(C)C#N
BDBM577594 CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n(C3COC3)c2n1
BDBM577595 C[C@@H]1OC[C@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
BDBM577596 C[C@H]1OC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3COC3)nc12)C#N |r|
BDBM577597 CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3CO[C@@H]3C)c2n1 |r|
BDBM577598 CC(C)Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@@H]3CO[C@H]3C)c2n1 |r|
BDBM577599 Cn1cc(Nc2ncc3cc(C#N)n(C4CCOCC4)c3n2)c(OC2COC2)n1
BDBM50583980 OC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
BDBM50582718 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3C)nc2n1C |r|
BDBM50582719 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3C)nc2n1C |r|
BDBM50584323 Cc1c(Nc2ncc3ccc(cc3n2)C2CCN(CC2)C2COC2)cnn1C1CCOCC1
BDBM50584324 Clc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
BDBM50584325 Cc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
BDBM50584332 O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r|
BDBM577557 C[C@@H]1OCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM50582721 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn(C)nc3Cl)nc2n1C |r|
BDBM50584333 C1CC1c1cccc2cnc(Nc3cnn(c3)C3CCOCC3)nc12
BDBM50582699 Nc1[nH]cnc2ncnc12
BDBM50583983 CNC1CCN(CC1)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
BDBM50582705 CN(C)c1c(C#N)c2c(N)ncnc2n1C
BDBM50582717 C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3nn(C)cc3C)cc2n1C |r|
BDBM50582711 C[C@@H]1CCCN1c1c(C(N)=O)c2c(N)ncnc2n1C |r|
BDBM50582704 Cn1c(N)c(C#N)c2c(N)ncnc12
BDBM577551 C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(C)nc3OC3CN(C3)C(C)=O)nc12)C#N |r|
BDBM577552 C[C@H]1COCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM577553 C[C@@H]1COCC1Oc1nn(C)cc1Nc1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM577554 C[C@H](C(F)F)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1 |r|
BDBM577555 C[C@@H](C(F)F)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1 |r|
BDBM577559 CC(CO)n1cc(Nc2ncc3cc(C#N)n([C@H]4COC[C@@H]4C)c3n2)c(OC2COC2)n1 |r|
BDBM577560 C[C@H](ON(c1cnn(c1)C1COC1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
BDBM577561 C[C@@H](ON(c1cnn(c1)C1COC1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1)C(F)(F)F |r|
BDBM577562 CO[C@H]1COC[C@@H]1ON(c1cnn(C)c1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM577563 CO[C@@H]1COC[C@H]1ON(c1cnn(C)c1)c1ncc2cc(C#N)n([C@H]3COC[C@@H]3C)c2n1 |r|
BDBM577564 C[C@H]1COC[C@@H]1n1c(cc2cnc(Nc3cn(CS(C)(=O)=O)nc3OC3COC3)nc12)C#N |r|
BDBM50590216 COC1CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F
BDBM50590218 C[C@@H]1[C@@H](O)CN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
BDBM50590219 C[C@@H]1[C@H](O)CCN1c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
BDBM50590220 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC2(CC1C2)C(C)(C)O |(6.51,-7.33,;5.17,-6.56,;5.17,-4.99,;3.62,-4.59,;2.8,-5.89,;3.77,-7.1,;3.22,-3.11,;4.3,-2.02,;3.91,-.53,;2.42,-.13,;1.33,-1.22,;1.73,-2.72,;-.15,-.82,;-.55,.66,;-1.24,-1.91,;-2.73,-1.51,;-3.13,-.02,;-4.62,.37,;-5.7,-.72,;-5.3,-2.2,;-3.82,-2.6,;-3.42,-4.09,;-3.02,-5.58,;-4.51,-5.18,;-1.93,-4.49,;-5.02,1.86,;-4.2,3.15,;-5.16,4.36,;-6.51,3.83,;-6.51,2.25,;-5.37,2.95,;-4.76,5.85,;-5.85,6.94,;-3.28,6.24,;-4.37,7.33,)|
BDBM50590221 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
BDBM50590222 C[C@H]1CN(CCN1C1COC1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
BDBM50590210 Cn1cc(cn1)-c1nc(cs1)C(=O)Nc1cnn(c1)C1CCC1
BDBM50590211 Cn1cc(cn1)-c1cccc(C(=O)Nc2cnn(c2)C2CCC2)c1F
BDBM50590212 Cn1cc(cn1)-c1nccc(n1)C(=O)Nc1cnn(c1)C1CCC1
BDBM50590213 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cnn(c1)C1CCC1
BDBM50590214 C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(C)cn1 |r|
BDBM50590215 C[C@H]1CN(C[C@@H](C)O1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F |r|
BDBM50590228 CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3(CC3)C(F)(F)F)c2)c1)C(F)(F)F |r|
BDBM50590229 CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
BDBM50590217 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(ncc1C(F)(F)F)N1CC(O)C1
BDBM50590223 Cc1nc(NC(=O)c2cccc(n2)-c2cnn(C)c2)cc(n1)N1CC[C@H](C1)C(C)(C)O |r|
BDBM50590224 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
BDBM50590225 CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(c2)C2CCC2)c1)C(F)(F)F |r|
BDBM50590226 CCn1cc(cn1)-c1cccc(n1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CC[C@H](C1)C(C)(C)O |r|
BDBM50590227 CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC3CC3)c2)c1)C(F)(F)F |r|
BDBM50594455 CCOC1CC1C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
BDBM50594456 CC1(COCC1O)N1CCN(CC1)c1cc2cc(NC(=O)C3CC3c3cccs3)ncc2cc1Cl
BDBM50594457 CC1(CC1C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1)C1CCOC1
BDBM50594458 Cn1ncc(n1)C1CC1C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3O)c(Cl)cc2cn1
BDBM50594453 Clc1cc2cnc(NC(=O)C3CC3c3cncnc3)cc2cc1N1CCC(CC1)C#N
BDBM50594454 CCC1C(C1c1cnn(C)c1)C(=O)Nc1cc2cc(N3CCN(CC3)C3(C)COCC3F)c(C)cc2cn1
BDBM50596998 CC(C)(O)CN1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM50596999 CC1(O)CCN(C1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM50597003 C[C@@H]1COC(=O)N1c1cc2nc(Nc3cnn(C4CCOCC4)c3C)ncc2cc1Cl |r|
BDBM50597147 NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccccc1
BDBM50597148 Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
BDBM50597149 Cc1[nH]nc(c1-c1ccc(cc1)-c1cc(ccc1C)S(N)(=O)=O)-c1ccncc1
BDBM50597150 Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccncc1
BDBM50597155 Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1C)S(N)(=O)=O)-c1ccncc1
BDBM50597170 CCc1cc(ccc1-c1ccc(cc1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
BDBM50597175 COc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
BDBM50597176 Cc1[nH]nc(c1-c1ccc(c(F)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
BDBM50597177 Cc1[nH]nc(c1-c1cc(F)c(c(F)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
BDBM50597178 Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccncc1
BDBM50597179 CC(C)c1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
BDBM50597180 Cc1[nH]nc(c1-c1cc(C)c(c(C)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
BDBM50597156 Cc1[nH]nc(c1-c1ccc(cc1)-c1cc(cc(C)c1C)S(N)(=O)=O)-c1ccncc1
BDBM50597157 Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(C)c1
BDBM50597158 Cc1cc(ccn1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
BDBM50597159 NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccncc1
BDBM50597160 Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
BDBM50597161 NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccnc(c1)N1CCOCC1
BDBM50597162 COc1cc(ccn1)-c1n[nH]c(C)c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
BDBM50597000 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCCO3)CC2)cnn1C12CC(C1)C2
BDBM50597001 CC1NN=CC1Nc1ncc2cc(Cl)c(cc2n1)N1CCC(C)(O)C(C)C1 |c:3|
BDBM50597002 CC(C)(C)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)C2(C)COC2)cn1
BDBM50597144 NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1
BDBM50597145 Cc1c(C)c(ccc1-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1)S(N)(=O)=O
BDBM50597146 Cc1ccc(cc1-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1)S(N)(=O)=O
BDBM50597163 COc1cc(ccn1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
BDBM50597164 Cc1[nH]nc(c1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O)-c1cc(C)nc(C)c1
BDBM50597165 Cc1cc(cc(C)n1)-c1n[nH]cc1-c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O
BDBM50597166 Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1
BDBM50597167 Cc1[nH]nc(c1-c1ccc(cc1C)-c1cccc(c1)S(N)(=O)=O)-c1ccncc1 |(-3.96,4.16,;-4.73,2.83,;-6.27,2.83,;-6.75,1.36,;-5.5,.46,;-4.25,1.36,;-2.77,.96,;-2.37,-.53,;-.88,-.92,;.2,.16,;-.19,1.65,;-1.68,2.05,;-2.08,3.54,;1.69,-.23,;2.09,-1.73,;3.58,-2.12,;4.66,-1.03,;4.26,.46,;2.78,.85,;5.35,1.55,;6.84,1.15,;5.75,3.04,;4.26,2.64,;-5.5,-1.08,;-4.17,-1.85,;-4.17,-3.39,;-5.5,-4.16,;-6.83,-3.4,;-6.84,-1.86,)|
BDBM50597168 Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)C(N)=O)-c1ccncc1
BDBM50597169 Cc1[nH]nc(c1-c1ccc(c(C)c1)-c1cccc(c1)S(C)(=O)=O)-c1ccncc1
BDBM50597181 Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(F)c1F)-c1ccncc1 |(-3.96,4.16,;-4.73,2.83,;-6.27,2.83,;-6.75,1.36,;-5.5,.46,;-4.25,1.36,;-2.77,.96,;-2.37,-.53,;-.88,-.92,;.2,.16,;1.69,-.23,;2.09,-1.73,;3.58,-2.12,;4.66,-1.03,;4.26,.46,;2.78,.85,;5.35,1.55,;6.84,1.15,;5.75,3.04,;4.26,2.64,;-.2,1.65,;.89,2.74,;-1.68,2.05,;-2.08,3.54,;-5.5,-1.08,;-4.17,-1.85,;-4.17,-3.39,;-5.5,-4.16,;-6.83,-3.4,;-6.84,-1.86,)|
BDBM50597182 Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccnc(C)c1
BDBM50597151 Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccnc(C)c1
BDBM50597152 Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1cc(C)nc(C)c1
BDBM50597153 Cc1[nH]nc(c1-c1ccc(cc1)-c1ccc(c(C)c1C)S(N)(=O)=O)-c1ccnc(c1)N1CCOCC1
BDBM50597154 Cc1c(C)c(ccc1-c1ccc(cc1)-c1c[nH]nc1-c1ccnc(c1)N1CCOCC1)S(N)(=O)=O
BDBM50597171 CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c(C)[nH]nc1-c1ccncc1
BDBM50597172 CCc1cc(ccc1-c1cccc(c1)S(N)(=O)=O)-c1c[nH]nc1-c1ccncc1
BDBM50597173 Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C(F)(F)F)-c1ccncc1
BDBM50597174 Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C#N)-c1ccncc1
BDBM50599927 CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12)C(=O)CNC(=O)C1COc2ccccc2C1
BDBM50602996 [O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]c(=O)n(-c3ccncc3)c2c1)C#N
BDBM50602997 [O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
BDBM50602998 N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
BDBM50602999 [O-][N+](=O)c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603000 [O-][N+](=O)c1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603001 [O-][N+](=O)c1cc(ccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
BDBM50603003 Clc1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
BDBM50603004 N#Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
BDBM50603005 N#Cc1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603006 CN(c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc(cc1C#N)C#N
BDBM50603007 N#Cc1ccc(Oc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
BDBM50603008 N#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603029 COc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
BDBM50603002 Cc1cc(ccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
BDBM50603009 COc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
BDBM50603010 COc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603011 COc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
BDBM50603012 Cc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N
BDBM50603013 Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
BDBM50603014 Cc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603015 Cc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
BDBM50603016 Fc1ccc(C#N)c(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
BDBM50603017 Fc1cccc(C#N)c1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603018 Fc1cccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c1C#N
BDBM50603019 Fc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
BDBM50603023 N#Cc1cccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)c1
BDBM50603024 Cc1c(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cccc1C#N
BDBM50603025 C[C@H](Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(c1)C#N |r|
BDBM50603026 N#Cc1ccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
BDBM50603027 N#Cc1ccc2[C@@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
BDBM50603028 N#Cc1ccc2[C@@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
BDBM50603030 Cn1cc(cn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
BDBM50603031 Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
BDBM50603034 N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
BDBM50603021 Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccc(cc3C#N)C#N)cc12
BDBM50603035 Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
BDBM50603036 Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@H]3CCCc4cc(ccc34)C#N)cc12 |r|
BDBM50603037 N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1 |r|
BDBM50603038 N#Cc1ccc2[C@@H](CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1 |r|
BDBM50603039 Cc1cc(ccn1)-c1n[nH]c2ccc(N[C@@H]3CCOc4cc(ccc34)C#N)cc12 |r|
BDBM50603040 Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@@H]3CCOc4cc(ccc34)C#N)cc12 |r|
BDBM50603041 C1CC(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c2ccccc2O1
BDBM50603042 N#Cc1ccc2C(CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603022 Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
BDBM50603043 N#Cc1ccc2C(CCc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
BDBM50603044 Fc1cc2[nH]nc(-c3ccncc3)c2cc1N[C@@H]1CCCc2cc(ccc12)C#N |r|
BDBM50603045 FC(F)(F)c1cc2[nH]nc(-c3ccncc3)c2cc1N[C@@H]1CCCc2cc(ccc12)C#N |r|
BDBM50603020 COc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3C#N)cc12
BDBM50603032 Cc1cc(cc(C)n1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12 |r|
BDBM50603033 N#Cc1ccc2c(Nc3ccc4[nH]nc(-c5ccncc5)c4c3)cccc2c1
BDBM50605511 Cn1cc(NC(=O)c2cc(c[nH]2)C(=O)c2c(Cl)ccc(Cl)c2F)cn1
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM620912 OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3)C(F)F)ncc2cc1Cl
BDBM620893 OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620775 OC1COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620770 O[C@@H]1COC[C@@H]1N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620974 OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(C3)C4)ncc2cc1Cl
BDBM620749 CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)c1Cl |r|
BDBM620750 COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cn1 |r|
BDBM620751 CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cn1 |r|
BDBM620752 COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCOC3)CC2)cn1
BDBM620753 COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCCO3)CC2)cn1
BDBM620754 COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
BDBM620755 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COCC3=O)CC2)cnn1C1CC1
BDBM620850 FC1(F)CC(C1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620851 Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1COCC1O
BDBM620852 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1(F)F
BDBM620853 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
BDBM620854 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
BDBM620855 Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1(C)COCC1O
BDBM620856 Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(CC1)C1(C)COCC1O
BDBM620962 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(nc3Cl)C3CCCCC3)nc2c1 |r|
BDBM620963 CN1CCN(CC1)c1cc2nc(Nc3cnn(C)c3Cl)ncc2cc1Cl
BDBM624731 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C)c4n3
BDBM620757 C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(c3Cl)C34CC(C3)C4)ncc2cc1Cl |r|
BDBM620758 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(CCOC3)CC2)cnn1C12CC(C1)C2
BDBM620760 C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl |r|
BDBM620761 CN(C)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620763 CNc1cc2nc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)ncc2cc1Cl
BDBM620857 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
BDBM620858 Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(CC1)C1COCC1O
BDBM620859 Cc1cc2cnc(Nc3cnn(c3Cl)C3(C)CC3)nc2cc1N1CCN(CC1)C1(C)COC1
BDBM620860 Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(CC1)C1(C)COC1
BDBM620861 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COC2)cnn1C1CC1
BDBM620967 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)CCOC2)c1Cl
BDBM620973 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCNCC2)cnn1C12CC(C1)C2
BDBM624735 Cc1c2Nc3ncc4c(nn(CCCOc2nn1C1CCOCC1)c4n3)C(F)(F)F
BDBM624736 Cc1c2Nc3ncc4c(Br)nn(CCCOc2nn1C1CCOCC1)c4n3
BDBM624737 Cc1c2Nc3ncc4c(nn(CCCOc2nn1C1CCOCC1)c4n3)C1CC1
BDBM624738 Cc1nn2CCCOc3nn(C4CCOCC4)c(C)c3Nc3ncc1c2n3
BDBM624739 Cc1c2Nc3ncc4c(nn(CCCOc2nn1C1CCOCC1)c4n3)C#N
BDBM620764 CCNc1cc2nc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)ncc2cc1Cl
BDBM620765 CC(C)Nc1cc2nc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)ncc2cc1Cl
BDBM620969 CC1CN(CCN1C1COCC1O)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620864 Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCNCC1
BDBM620865 Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(F)(C3)C4)nc2cc1N1CCNCC1
BDBM620866 Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2cc1N1CC2(CN(C2)C2COCC2O)C1
BDBM620869 CCn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1F
BDBM620870 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C1CC1
BDBM620772 CC(C)Nc1ccc2cnc(Nc3cnn(C4CCN(CC4)C4(C)COC4)c3Cl)nc2c1Cl
BDBM620773 CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1C#N
BDBM620871 CC(C)(O)CC(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
BDBM620872 CC(C)(C#N)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
BDBM620873 Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)c1Cl
BDBM620874 Cc1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)sn1
BDBM620877 CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(c3)C34CC(C3)C4)ncc2cc1Cl
BDBM620981 CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(F)(C3)C4)ncc2cc1Cl
BDBM620982 C[C@H]1CN(CCN1C1(C)COCC1O)c1cc2nc(Nc3cc(C)nn3C3CC3)ncc2cc1Cl |r|
BDBM620983 Cn1nc(cc1Nc1ncc2cc(Cl)c(cc2n1)N1CCC(C)(O)CC1)C(C)(C)n1nccn1
BDBM620984 CC(C)(O)Cn1ncc(Nc2ncc3cc(Br)c(NCC4CC4)nc3n2)c1Cl
BDBM620985 CC1(COC1)N1CCN(CC1)c1nc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
BDBM620986 CCn1ncc(Nc2ncc3ccc(nc3n2)N2[C@H]3CC[C@H](C3)C2=O)c1C |r|
BDBM620987 CCn1ncc(Nc2ncc3ccc(nc3n2)N2[C@@H]3CC[C@@H](C3)C2=O)c1C |r|
BDBM620878 CC1(O)CCN(CC1)c1c(Cl)cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2c1Cl
BDBM620879 CO[C@H]1C[C@@H](C1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1C |r,wU:4.6,wD:2.1,(-6.67,-1.91,;-5.14,-1.75,;-4.51,-.35,;-3.07,.21,;-3.63,1.64,;-5.06,1.09,;-3,3.05,;-3.77,4.38,;-2.74,5.53,;-1.33,4.9,;0,5.67,;1.34,4.9,;2.67,5.67,;4,4.9,;4,3.36,;5.34,2.59,;5.34,1.05,;6.67,.28,;4,.28,;2.67,1.05,;2.67,2.59,;1.34,3.36,;4,-1.26,;2.67,-2.03,;2.67,-3.57,;4,-4.34,;3.23,-5.67,;4.77,-5.67,;5.34,-3.57,;5.34,-2.03,;-1.49,3.37,;-.35,2.34,)|
BDBM620880 CO[C@H]1C[C@H](C1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1C |r,wU:4.6,2.1,(-6.67,-1.91,;-5.14,-1.75,;-4.51,-.35,;-5.06,1.09,;-3.63,1.64,;-3.07,.21,;-3,3.05,;-3.77,4.38,;-2.74,5.53,;-1.33,4.9,;0,5.67,;1.34,4.9,;2.67,5.67,;4,4.9,;4,3.36,;5.34,2.59,;5.34,1.05,;6.67,.28,;4,.28,;2.67,1.05,;2.67,2.59,;1.34,3.36,;4,-1.26,;2.67,-2.03,;2.67,-3.57,;4,-4.34,;3.23,-5.67,;4.77,-5.67,;5.34,-3.57,;5.34,-2.03,;-1.49,3.37,;-.35,2.34,)|
BDBM620881 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C(C)(C)C#N
BDBM620988 Cc1c(Nc2ncc3cc(F)c(NCC4CC4)nc3n2)cnn1C1CCOCC1
BDBM620668 Cc1c(Nc2cc3cc(N4CCN(CC4)[C@@]4(C)COC[C@H]4O)c(Cl)cc3cn2)cnn1C1CC1 |r|
BDBM620669 Cc1c(Nc2cc3cc(N4CCN(CC4)[C@]4(C)COC[C@@H]4O)c(Cl)cc3cn2)cnn1C1CC1 |r|
BDBM620670 CN1CCN(CC1(C)C)c1cc2nc(Nc3cnn(CC(F)F)c3C)ncc2cc1Cl
BDBM620671 F[C@H]1CN(CC[C@@H]1n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC3)CC2)c1Cl)C1COC1 |r|
BDBM620948 Cc1nn(cc1Nc1ncc2ccc(cc2n1)N1C2CCC(C2)C1=O)C1CC2(C1)CN(C2)C1COC1
BDBM620957 Cc1nsc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C
BDBM620774 Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCC(C)(O)CC1
BDBM620777 OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(F)(C3)C4)ncc2cc1Cl
BDBM620778 CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C(F)F)c3Cl)ncc2cc1Cl
BDBM620779 CC1(CCOC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620890 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C
BDBM620679 C[C@@H]1CC[C@@H](C)N1c1ccc2cnc(Nc3cnn(CCF)c3C)nc2c1 |r|
BDBM620680 CN1CCC2(CCN(C2)c2cc3nc(Nc4cnn(CC(C)(C)O)c4Cl)ncc3cc2Cl)C1
BDBM620681 CC1(O)CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
BDBM620682 OCC1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
BDBM620782 Cc1c(N2CCN(CC2)C2(C)COC2)c(Cl)cc2cnc(Nc3cnn(CC(F)(F)F)c3)nc12
BDBM620787 FC(F)(F)Cn1ccc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)n1
BDBM624740 Clc1nn2CCCOc3nn(C4CCOCC4)c(C4CC4)c3Nc3ncc1c2n3
BDBM624741 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1CC12CC(C1)CO2)c4n3 |(-9.13,7.47,;-7.88,6.57,;-6.43,7.14,;-5.98,8.61,;-1.52,8.96,;-.28,9.87,;1.13,9.24,;1.29,7.71,;2.54,6.8,;4,7.28,;2.06,5.34,;.52,5.34,;-.38,4.09,;-1.87,3.7,;-3.2,4.47,;-3.97,5.88,;-5.51,5.8,;-6.42,4.55,;-7.88,5.03,;-9.13,4.12,;-8.97,2.59,;-10.11,1.56,;-9.49,.16,;-8.81,1.11,;-7.96,.32,;-7.64,1.82,;.05,6.8,;-1.36,7.43,)|
BDBM624742 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1CC1(C)COC1)c4n3
BDBM620683 FC(F)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CCCC2)c1Cl
BDBM620684 O[C@H]1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
BDBM620685 OC1CN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
BDBM620686 OC[C@H]1[C@@H]2CN(C[C@H]12)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
BDBM620687 OC[C@H]1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
BDBM620688 OC1CCN(CC1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
BDBM620689 OC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl
BDBM620788 CC(C)Nc1ccc2cnc(Nc3cnn(c3)C3CCN(CC3)C3(C)COC3)nc2c1
BDBM620789 CC1CCN1c1cc2nc(Nc3cnn(c3)C3CN(CC(C)(C)O)C3)ncc2cc1Cl
BDBM620790 CC1CCN1c1cc2nc(Nc3cnn(c3)C3CCN(CC3)C3(C)COC3)ncc2cc1Cl
BDBM620792 CCn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1C
BDBM620793 C[C@H]1CN(CCN1C1COC1)c1cc2nc(Nc3cnn(CCF)c3C)ncc2cc1Cl |r|
BDBM620794 Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1C(F)(F)F
BDBM624744 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1(C)COC1)c4n3
BDBM624746 FC1(CC1)c1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOCC1)c4n3
BDBM624747 CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOCC1)c4n3
BDBM624749 C[C@H]1C[C@@H](CCO1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM620690 CN(C)[C@@H]1CCN(C1)c1cc2nc(Nc3cnn(CC(F)F)c3Cl)ncc2cc1Cl |r|
BDBM620692 FC1(F)CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620693 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCn3cnnc3C2)cnn1C1CC1
BDBM620694 FC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620695 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CCC2)cnn1C1CC1
BDBM620696 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CCC#N)CC2)cnn1C1CC1
BDBM620697 CC(=O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620795 CC1(CC1)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
BDBM620797 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
BDBM620798 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC(F)(F)F)c3)ncc2cc1Cl
BDBM620799 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn4CCCc34)ncc2cc1Cl
BDBM620800 Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c(n1)C(F)(F)F
BDBM624751 C[C@@H]1COCC[C@@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM624752 C[C@@H]1COCC[C@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM624753 C[C@H]1COCC[C@@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM624754 C[C@H]1COCC[C@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM624755 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CC[C@H](F)CC1)c4n3 |r,wU:22.24,wD:19.20,(-6.63,6.73,;-5.38,5.83,;-3.89,6.39,;-3.44,7.87,;.85,9.05,;2.09,9.96,;3.5,9.33,;3.66,7.8,;4.91,6.89,;6.37,7.37,;4.43,5.43,;2.89,5.43,;2.12,4.09,;.79,3.32,;-.7,3.72,;-1.47,5.06,;-3.01,5.06,;-3.92,3.81,;-5.38,4.29,;-6.63,3.38,;-8.03,4.01,;-9.28,3.1,;-9.12,1.57,;-10.37,.67,;-7.71,.94,;-6.47,1.85,;2.41,6.89,;1.01,7.52,)|
BDBM624756 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCC(F)(F)CC1)c4n3
BDBM620935 Cc1c(Nc2ncc3ccc(cc3n2)N2C(COC2=O)C2CC2)cnn1C1CCOCC1
BDBM620699 CC1CN(CCN1CC(C)(C)O)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620700 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3C[C@H]2CN3C2COC2)cnn1C1CC1 |r|
BDBM620702 OC1C2CC1CN(C2)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620703 C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl |r|
BDBM620704 OC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620706 CN(C)[C@@H]1CCN(C1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620677 CCn1ncc(Nc2ncc3ccc(cc3n2)N2CCC2C)c1C
BDBM620675 CCn1ncc(Nc2ncc3ccc(cc3n2)N2CCCC2C)c1C
BDBM620802 CC1(O)CC2(CN(C2)c2cc3nc(Nc4cnn(c4)C4CC4)ncc3cc2Cl)C1
BDBM620806 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CC3(C2)CC(C)(O)C3)c1Cl
BDBM620807 CC1(O)CC2(CN(C2)c2cc3nc(Nc4cnn(C5CC5)c4Cl)ncc3cc2Cl)C1
BDBM620808 CCC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
BDBM620914 CC(C)(C)n1nccc1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COCC1O
BDBM620915 Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1C(F)F
BDBM620916 CC(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1C(F)F
BDBM624758 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCCCOC1)c4n3 |r|
BDBM624760 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCCCOC1)c4n3
BDBM624761 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOC[C@@H]1F)c4n3 |r|
BDBM624762 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOC[C@@H]1F)c4n3 |r|
BDBM624763 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C12CC(C1)(C2)C(N)=O)c4n3
BDBM620707 C[C@@]1(O)[C@H]2CC[C@@H]1CN(C2)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620708 CC1(O)C2CC1CN(C2)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620709 CN1CCC2CCN(C2C1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620710 CC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620711 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CCCC2)cnn1C1CC1
BDBM620701 CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620809 CCC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620810 CC(C)(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
BDBM620811 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CC(F)(F)C2)c1Cl
BDBM620812 CC(C)(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CC(F)(F)C2)c1Cl
BDBM620813 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
BDBM620814 CN1CC2CC1CN2c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
BDBM620815 C[C@H]1CN(C)CCN1c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl |r|
BDBM620917 Cc1c(Nc2cc3cc(N4CCN(CC4)C4(C)COCC4O)c(Cl)cc3cn2)cnn1C1CC1
BDBM620918 CC1(COCC1O)N1CCN(CC1)c1cc2cc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620919 Cc1c(Nc2cc3cc(N4CCN(CC4)C4(C)COCC4O)c(Cl)cc3cn2)cnn1C1CC1(F)F
BDBM620920 CC1(COCC1O)N1CCN(CC1)c1cc2cc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620921 FC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCNCC2)c1Cl
BDBM620922 C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3C(F)F)ncc2cc1Cl |r|
BDBM620923 CCn1ncc(Nc2ncc3ccc(cc3n2)N2[C@@H](C)COC2=O)c1C |r|
BDBM624764 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CC2(COC2)C1)c4n3
BDBM624766 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1(CC1)C(N)=O)c4n3
BDBM624767 CO[C@H]1CC[C@@H](CC1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r,wU:2.1,wD:5.8,(-9.72,-1.27,;-10.01,.24,;-8.84,1.25,;-9.03,2.78,;-7.8,3.71,;-6.38,3.1,;-6.2,1.57,;-7.43,.65,;-5.18,4.07,;-3.71,3.59,;-2.81,4.84,;-1.27,4.84,;-.5,3.5,;.83,2.73,;2.17,3.5,;2.77,4.92,;4.31,4.92,;4.79,6.38,;6.27,6.83,;3.54,7.29,;3.38,8.82,;1.98,9.45,;.73,8.54,;-3.22,7.66,;-3.67,6.19,;-5.18,5.61,;-6.42,6.51,;.89,7.01,;2.3,6.38,)|
BDBM624768 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1C2COCC12)c4n3
BDBM624769 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CC1(F)F)c4n3
BDBM624770 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CC1(F)F)c4n3 |r|
BDBM620714 CN(C1COC1)c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1
BDBM620718 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C
BDBM620719 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)CCOC2)cnn1C12CC(C1)C2
BDBM620720 COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)c1Cl |r|
BDBM620721 O[C@H]1COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620816 CN1CC2(C1)CN(C2)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
BDBM620817 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CC3(CN(CC(F)(F)F)C3)C2)c1Cl
BDBM620818 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(CC2)N2CC(F)C2)c1Cl
BDBM620819 CO[C@H]1CCN(C1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl |r|
BDBM620820 C[C@H]1CN(CCN1C1COC1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl |r|
BDBM620821 CN1CCC2(CCN(C2)c2cc3nc(Nc4cnn(c4Cl)C4(C)CC4)ncc3cc2Cl)C1
BDBM620822 CC1CN(C1)C1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
BDBM620927 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(nc3C)C3C[C@H](C)O[C@H](C)C3)nc2c1 |r|
BDBM620929 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(C)nc3C(F)(F)F)nc2c1 |r|
BDBM620930 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3snc(C)c3C3CC3)nc2c1 |r|
BDBM624771 C[C@H]1C[C@H](C[C@@H](C)O1)n1nc(OCCCn2nc(Cl)c3cnc(Cl)nc23)c(c1C)[N+]([O-])=O |r|
BDBM624772 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOC(C)(C)C1)c4n3 |r|
BDBM624773 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOC(C)(C)C1)c4n3 |r|
BDBM624774 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CC2CCC(C1)O2)c4n3
BDBM624777 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOC[C@@]1(C)F)c4n3 |r|
BDBM620722 O[C@@H]1COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620723 C[C@]1(O)COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620724 C[C@@]1(O)COCC11CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl |r|
BDBM620725 CC1(O)CCN(CC1)c1cc2nc(Nc3cnn([C@H]4CCN(C[C@@H]4F)C4COC4)c3Cl)ncc2cc1Cl |r|
BDBM620726 OC1CCN(CC1)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
BDBM620727 OC1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620728 CC1(O)CCN(CC1)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
BDBM620801 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
BDBM620823 CN1CCN(CC1=O)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
BDBM620824 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCn3cnnc3C2)c1Cl
BDBM620825 CC(C)(C)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
BDBM620826 Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
BDBM620827 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4CC4)c3Cl)ncc2cc1Cl
BDBM620828 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4COC4)c3Cl)ncc2cc1Cl
BDBM620829 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CCC4)c3Cl)ncc2cc1Cl
BDBM620933 C[C@@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4CCOCC4)c3C)nc2c1 |r|
BDBM620934 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3snc(C)c3C)nc2c1 |r|
BDBM624778 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOC[C@]1(C)F)c4n3 |r|
BDBM624779 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1CC1CCOCC1)c4n3
BDBM624780 CO[C@H]1CC[C@@H](CC1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1Br)nc34 |r,wU:2.1,wD:5.8,(-24.77,11.95,;-24.24,10.5,;-22.7,10.5,;-21.93,11.84,;-20.39,11.84,;-19.62,10.5,;-20.39,9.17,;-21.93,9.17,;-18.08,10.5,;-17.17,9.26,;-15.71,9.73,;-14.94,8.4,;-14.94,6.86,;-13.12,5.83,;-11.78,6.6,;-11.01,7.93,;-9.47,7.93,;-9,9.39,;-7.53,9.87,;-10.24,10.3,;-10.4,11.83,;-11.81,12.46,;-13.06,11.55,;-14.46,12.18,;-15.71,11.27,;-17.17,11.75,;-17.65,13.21,;-12.9,10.02,;-11.49,9.39,)|
BDBM624782 C[C@@H]1C[C@@H](CCO1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM624783 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOC2(CC2)C1)c4n3 |r|
BDBM624784 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOC2(CC2)C1)c4n3 |r|
BDBM620729 CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cn1
BDBM620730 CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)c1Cl
BDBM620731 CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cn1
BDBM620732 CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1Cl
BDBM620733 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cnn1C1CC1
BDBM620803 CC1CCC11CN(C1)c1cc2nc(Nc3cnn(c3Cl)C3(C)CC3)ncc2cc1Cl
BDBM620830 CC(C)(O)Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
BDBM620831 CC1(Cn2ncc(Nc3ncc4cc(Cl)c(cc4n3)N3CCN(CC3)C3(C)COC3)c2Cl)COC1
BDBM620832 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4(CC4)C#N)c3)ncc2cc1Cl
BDBM620833 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4CCC4)c3Cl)ncc2cc1Cl
BDBM620834 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cnn1CC(C)(C)O
BDBM620943 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(CC(F)(F)F)c3)nc2c1 |r|
BDBM620944 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cc(C)nn3C)nc2c1 |r|
BDBM620945 Cn1ncc(Cl)c1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COCC1O
BDBM624785 CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCOCC1F)c4n3 |r|
BDBM624786 CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCOCC1F)c4n3 |r|
BDBM624787 CCc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CC[C@@H](CC1)OC)c4n3 |r,wU:23.28,wD:20.21,(-6.78,11.35,;-6.94,9.82,;-5.69,8.91,;-4.16,9.58,;-2.1,11.54,;.87,11.5,;2.12,12.41,;3.52,11.78,;3.69,10.25,;4.93,9.34,;6.4,9.82,;4.46,7.88,;2.92,7.88,;2.15,6.54,;.81,5.77,;-1.01,6.81,;-1.78,8.14,;-3.32,8.14,;-4.23,6.9,;-5.69,7.37,;-6.94,6.47,;-8.34,7.09,;-9.59,6.19,;-9.43,4.66,;-8.02,4.03,;-6.78,4.93,;-10.67,3.75,;-10.51,2.22,;2.44,9.34,;1.03,9.97,)|
BDBM624788 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCCOCC1)c4n3 |r|
BDBM624789 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCCOCC1)c4n3 |r|
BDBM620991 Cc1c(Nc2ncc3cc(Cl)c(nc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
BDBM620891 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1CC(F)F
BDBM620737 COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N(C)C)cn1
BDBM620738 COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CC3CCC(C2)O3)c1Cl
BDBM620739 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CCC#N)CC2)c1Cl
BDBM620740 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC(F)C4)c3Cl)ncc2cc1Cl |(8.37,-1.81,;7.83,-3.25,;7.06,-4.59,;8.39,-5.36,;9.16,-4.02,;6.82,-2.09,;7.45,-.68,;6.56,.57,;5.02,.41,;4.39,-.99,;5.29,-2.24,;4.06,1.61,;2.52,1.46,;1.62,2.7,;.09,2.55,;-.81,3.79,;-2.33,3.55,;-2.9,1.96,;-2.16,.62,;-3.21,-.51,;-4.6,.14,;-5.98,-.55,;-7.48,-.21,;-7.83,-1.71,;-9.16,-2.48,;-6.33,-2.05,;-4.42,1.67,;-5.53,2.73,;-.18,5.2,;1.35,5.36,;2.25,4.11,;3.78,4.27,;4.69,3.02,;6.22,3.17,)|
BDBM620741 CC1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)c1Cl
BDBM620766 CC1CN(CCC1(C)O)c1cc2nc(Nc3cnn(C4CC4)c3C)ncc2cc1Cl
BDBM620838 CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
BDBM620841 Cc1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)sn1
BDBM620842 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3ccn(CC(F)(F)F)n3)ncc2cc1Cl
BDBM620843 CC(C)(C)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cn1
BDBM620946 CCc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1(C)COCC1O
BDBM620947 Cc1c(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)cnn1C1CC2(C1)CN(C2)C1COC1
BDBM620950 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnsc3)nc2c1 |r|
BDBM620951 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3ccns3)nc2c1 |r|
BDBM620952 CC(C)c1cc(Nc2ncc3ccc(cc3n2)N2[C@@H](C)COC2=O)ns1 |r|
BDBM624792 F[C@@H]1COCC[C@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1Br)nc34 |r|
BDBM624793 F[C@H]1COCC[C@@H]1n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1Br)nc34 |r|
BDBM624794 Clc1nn2CCCOc3nn([C@H]4CCOC5(CC5)C4)c(Br)c3Nc3ncc1c2n3 |r|
BDBM624795 Clc1nn2CCCOc3nn([C@@H]4CCOC5(CC5)C4)c(Br)c3Nc3ncc1c2n3 |r|
BDBM620742 FC(F)(F)C1(CC1)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC2)c1Cl
BDBM620743 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C3(CC3)C(F)(F)F)ncc2cc1Cl
BDBM620744 Clc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCc3[nH]ncc3C2)cnn1C1CC1
BDBM620960 CC1CC(C)(O)CCN1c1cc2nc(Nc3cnn(C4CC4)c3C)ncc2cc1Cl
BDBM620746 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)cnn1C1CC1 |r|
BDBM620747 OC1C2CC1CN(C2)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
BDBM620748 CN(C)c1cc2nc(Nc3cnn(c3)C3CC3)ncc2cc1Cl
BDBM620844 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4C[C@@H](F)[C@H](F)C4)c3)ncc2cc1Cl |r|
BDBM620845 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4C[C@H](F)[C@@H](F)C4)c3)ncc2cc1Cl |r|
BDBM620846 Cc1nscc1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COC1
BDBM620847 CCn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)c1Cl
BDBM620848 COC1CC(Cn2ncc(Nc3ncc4cc(Cl)c(cc4n3)N3CCN(CC3)C3(C)COC3)c2Cl)C1 |(-8.33,.89,;-6.8,.7,;-5.87,1.93,;-6.09,3.46,;-4.57,3.68,;-3.64,4.91,;-2.11,4.75,;-1.34,3.41,;.16,3.74,;.32,5.27,;1.66,6.04,;2.99,5.27,;4.33,6.04,;5.66,5.27,;5.66,3.73,;6.99,2.96,;6.99,1.42,;8.33,.65,;5.66,.65,;4.33,1.42,;4.33,2.96,;2.99,3.73,;5.66,-.89,;4.33,-1.66,;4.33,-3.2,;5.66,-3.97,;6.99,-3.2,;6.99,-1.66,;5.66,-5.51,;6.99,-4.74,;4.17,-5.91,;4.57,-7.4,;6.06,-7,;-1.08,5.89,;-1.4,7.4,;-4.35,2.15,)|
BDBM620849 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(CC4CC4(F)F)c3)ncc2cc1Cl
BDBM620953 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cc(ns3)C(C)(C)C)nc2c1 |r|
BDBM620954 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn([C@H]4CCN(C[C@H]4C)C4COC4)c3Cl)nc2c1 |r|
BDBM620955 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cn(C)nc3C(F)F)nc2c1 |r|
BDBM620956 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn4CCCCc34)nc2c1 |r|
BDBM620959 Cn1nc(Cl)cc1Nc1ncc2cc(Cl)c(cc2n1)N1CCN(CC1)C1(C)COCC1O
BDBM620712 CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620839 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620796 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620868 CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
BDBM620971 CC1CN(CCN1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COCC1O
BDBM620939 CCn1ncc(Nc2ncc3ccc(cc3n2)N2C(C)CCC2=O)c1C
BDBM620937 CCn1ncc(Nc2ncc3ccc(cc3n2)N2C(COC2=O)C2CC2)c1C
BDBM620941 CCn1ncc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C
BDBM620734 COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC(CO)C3)CC2)cn1
BDBM620882 COC1CCC1n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)c1C
BDBM620931 Cn1cc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c(n1)C(F)(F)F
BDBM620989 OC1COCC1N1CCN(CC1)c1nc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl
BDBM620926 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn(C4C[C@H](C)O[C@H](C)C4)c3C)nc2c1 |r|
BDBM620924 C[C@H]1COC(=O)N1c1ccc2cnc(Nc3cnn([C@@H]4CCN(C[C@H]4F)C4COC4)c3Cl)nc2c1 |r|
BDBM624748 C[C@H]1C[C@H](CCO1)n1nc2OCCCn3nc(Cl)c4cnc(Nc2c1C)nc34 |r|
BDBM620716 Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C
BDBM620875 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C1CC1(F)F
BDBM620894 Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1Cl
BDBM620783 Cn1ncc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C(F)(F)F
BDBM620785 Cn1ncc(Nc2ncc3ccc(cc3n2)N2C3CCC(C3)C2=O)c1C(F)F
BDBM620965 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC(C)(C)C2)cnn1C1CC1
BDBM620672 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COC2)cnn1CCF
BDBM620756 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C
BDBM620884 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
BDBM620904 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
BDBM620673 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2CCCC2C#N)cnn1C1CC1
BDBM620964 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COC(C)(C)C2)cnn1C1CC1
BDBM629291 F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1
BDBM629292 F[C@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1cnc2[nH]ccc2c1Cl
BDBM620887 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C(C)(C)C#N
BDBM620979 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C(F)F
BDBM620780 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
BDBM620905 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1(F)F
BDBM620898 Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1CC(F)(F)F
BDBM624743 Cc1c(c(OCCCn2nc(Cl)c3cnc(Cl)nc23)nn1C1CCOCC1)[N+]([O-])=O
BDBM624732 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1C1CCOCC1)c4n3
BDBM624757 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCCCOC1)c4n3 |r|
BDBM624733 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@@H]1CCCOC1)c4n3 |r|
BDBM624734 Cc1c2Nc3ncc4c(Cl)nn(CCCOc2nn1[C@H]1CCCOC1)c4n3 |r|
BDBM620977 Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2cc1N1CCN(CC1)C1(C)COCC1O
BDBM620862 Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2cc1N1CCN(CC1)C1COCC1O
BDBM634396 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCNCC1)c3c2 |$;;NH;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM634397 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCNCC1)c3c2 |t:24|
BDBM634398 COCC1CCOc2ccc3[nH]nc(-c4cccc(COC(=O)N1)c4)c3c2
BDBM634399 O=C1NCCCOc2ccc3[nH]nc(-c4ccn(CCO1)n4)c3c2
BDBM634400 CC1CCOc2ccc3[nH]nc(-c4cnn(CCOC(=O)N1)c4)c3c2
BDBM634401 CC1CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23
BDBM634468 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3c(F)cc(O1)cc23 |r|
BDBM634469 C[C@@H]1CCNC(=O)O[C@@H](C)c2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634470 C[C@@H]1CCNC(=O)O[C@H](C)c2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634471 C[C@H]1CCNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634472 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)nc23 |r|
BDBM634423 C[C@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)cc1c4)c3c2 |r|
BDBM634402 CCC1CCOc2ccc3[nH]nc(-c4cccc(COC(=O)N1)c4)c3c2
BDBM634403 CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)c(C)c1c4)c3c2
BDBM634404 COc1c(F)cc-2cc1C(C)OC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634405 CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(C)c(F)c1c4)c3c2
BDBM634406 O=C1OC2CN1CCCOc1ccc3[nH]nc(-c4cccc2c4)c3c1
BDBM634407 CC1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3ccc(O1)cc23
BDBM634408 CC1CNC(=O)OCCn2cc(cn2)-c2n[nH]c3ccc(OC1)cc23
BDBM634442 COc1cc2COC(=O)NCC[C@@H](C)Oc3ccc4[nH]nc(-c(c1)n2)c4c3 |r|
BDBM634441 O=C1NCCCOc2ccc3[nH]nc(-n4cnc(CCO1)c4)c3c2
BDBM634473 C[C@@H]1CCNC(=O)OCc2nc(cn2C)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634474 C[C@@H]1CCNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634475 C[C@@H]1CCNC(=O)OCCc2ncc(s2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634476 C[C@@H]1CCNC(=O)OCCc2nc(cn2C)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634477 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cnc(O1)cc23 |r|
BDBM634478 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cnc(cc23)N1C |r|
BDBM634316 O=C1NCCCOc2ccc3[nH]nc(-c4cncc(CO1)c4)c3c2
BDBM634318 Fc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
BDBM634317 CN1CCCOc2ccc3[nH]nc(-c4cncc(COC1=O)c4)c3c2
BDBM634319 O=C1NCCCOc2ccc3[nH]nc(-c4cccc(CO1)n4)c3c2
BDBM634320 O=C1NCCCOc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
BDBM634321 CC(C)N1CCCOc2ccc3[nH]nc(-c4cncc(COC1=O)c4)c3c2
BDBM634409 CC1Cn2cc(cn2)-c2n[nH]c3ccc(OCCCNC(=O)O1)cc23
BDBM634410 COc1cc-2cc(C(C)OC(=O)NCCCOc3ccc4[nH]nc-2c4c3)c1F
BDBM634411 C[C@@H]1CCNC(=O)O[C@H](C)c2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634412 C[C@@H]1CCNC(=O)OCCn2cc(cn2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634413 O=C1OCc2cncc(c2)-c2n[nH]c3ccc(OCC4CCN1C4)cc23
BDBM634414 O=C1NCCCOc2ccc3[nH]nc(-c4ccn(CCO1)c4)c3c2
BDBM634415 C[C@H]1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM620836 CC1(COC1)N1CCN(CC1)c1cc2nc(Nc3cnn(c3)C(F)F)ncc2cc1Cl
BDBM634322 O=C1NCCCOc2ccc3[nH]nc(-c4ccnc(CO1)c4)c3c2
BDBM634416 C[C@@H]1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634417 C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634418 O=C1NCCCOc2ccc3[nH]nc(-c4cnn(c4)C(CO1)C1CC1)c3c2
BDBM634420 C[C@@H]1CCNC(=O)OCc2nccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634443 C[C@@H]1CCNC(=O)OCc2cc(ccc2C#N)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634480 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ncc(O1)cc23 |r|
BDBM634479 C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3ccc(O1)nc23 |r|
BDBM634324 Brc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
BDBM634325 Fc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634323 COc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634326 Cc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634421 C[C@@H]1CCNC(=O)O[C@H](C)c2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634422 CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cncc1c4)c3c2
BDBM634425 CC1COC(=O)NCCCOc2ccc3[nH]nc(-c4cnn1c4)c3c2
BDBM634426 CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1n4)c3c2
BDBM634427 CC(C)C1COC(=O)NCCCOc2ccc3[nH]nc(-c4cnn1c4)c3c2
BDBM634444 C[C@@H]1CCNC(=O)OCc2nc(cc(n2)-c2n[nH]c3ccc(O1)cc23)N1CCCC1 |r|
BDBM634447 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cc(F)c(O1)cc23 |r|
BDBM634481 O=C1NCCCOc2ccc3[nH]nc(-c4cnn(CCO1)n4)c3c2
BDBM634482 FC1(F)CNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(OC1)cc23
BDBM634483 F[C@@H]1CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23 |r|
BDBM634484 F[C@H]1CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23 |r|
BDBM634331 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCOCC1)c3c2
BDBM634327 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCCC1)c3c2
BDBM634328 CC(C)N1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634332 C[C@H]1CN(C[C@@H](C)O1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r|
BDBM634333 Cc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
BDBM634334 COc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634428 C[C@@H]1CCNC(=O)OC(C)Cn2cc(cn2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634429 C[C@@H]1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634486 F[C@H]1CNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
BDBM634487 F[C@@H]1CNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
BDBM634485 FC1(F)CNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(OC1)cc23
BDBM634488 F[C@H]1CNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
BDBM634489 F[C@@H]1CNC(=O)OCCn2ncc(n2)-c2n[nH]c3ccc(OC1)cc23 |r|
BDBM634490 O=C1NCCC2(CC2)Oc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
BDBM634335 FC1(F)CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634336 FC1(F)CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634337 CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2
BDBM634338 COCCC1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634432 C[C@@H]1CCNC(=O)OCc2cc(ccn2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634339 O=C1NCCOc2ccc3[nH]nc(-c4cccc(CCO1)c4)c3c2
BDBM634340 O[C@@H]1CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r|
BDBM634341 COCCN(C)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634342 Clc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
BDBM634343 Cc1c(F)cc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634344 Fc1cc-2cc(COC(=O)NCCCOc3ccc4[nH]nc-2c4c3)c1F
BDBM634434 CCC1CC2=NN1CCOC(=O)NCCCOc1ccc3[nH]nc2c3c1 |c:4|
BDBM634433 O=C1NCCCOc2ccc3[nH]nc(-c4cnn(c4)C(CO1)C1CCOCC1)c3c2
BDBM634345 Brc1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634346 CN1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634347 COC1CN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634348 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC(CC1)C#N)c3c2
BDBM634350 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCC1)c3c2
BDBM634351 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1CCCCC1)c3c2
BDBM634435 C[C@@H]1CCNC(=O)OCc2cccc(-c3n[nH]c4ccc(O1)cc34)c2F |r|
BDBM634352 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCOC1)c3c2 |t:24|
BDBM634354 CN1CCC(=CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |c:4|
BDBM634355 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)N1C[C@@H]4C[C@H]1CO4)c3c2 |r|
BDBM634356 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCOCC5)cc(CO1)c4)c3c2
BDBM634357 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCCC5)cc(CO1)c4)c3c2
BDBM634358 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CN5CCCCC5)cc(CO1)c4)c3c2
BDBM634436 O=C1NCCOc2ccc3[nH]nc(-c4cnn(CCCO1)c4)c3c2
BDBM634438 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CCCO1)no4)c3c2
BDBM634437 CCc1cc-2nn1CCOC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634448 C[C@@H]1CCNC(=O)OCc2cncc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634450 O=C1NCCCOc2ccc3[nH]nc(-c4nc(CCO1)cs4)c3c2
BDBM634359 CN1CCN(Cc2cc3COC(=O)NCCCOc4ccc5[nH]nc(-c(c2)c3)c5c4)CC1
BDBM634360 O=C1NCCCOc2ccc3[nH]nc(-c4ccc(N5CCOCC5)c(CO1)c4)c3c2
BDBM634361 COCCN1CCN(CC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634362 CCN(CC)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634363 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1CC1)c3c2
BDBM634364 CN1CCN(CC1)c1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634439 C[C@@H]1CCNC(=O)OCc2cncc(c2)-c2n[nH]c3cc(F)c(O1)cc23 |r|
BDBM634451 C[C@@H]1CCNC(=O)O[C@H](C)c2cccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634365 CC1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23
BDBM634366 O=C1NCCCOc2ccc3[nH]nc(-c4cnn(CCO1)c4)c3c2
BDBM634367 CN(C1COC1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634368 CN(C)Cc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
BDBM634369 CN1CCCOc2ccc3[nH]nc(-c4cc(C)cc(COC1=O)c4)c3c2
BDBM634370 CC(C)Oc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634453 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cc(Cl)c(O1)cc23 |r|
BDBM634452 CO[C@@H]1CCN(C1)c1cc-2nc(COC(=O)NCC[C@@H](C)Oc3ccc4[nH]nc-2c4c3)n1 |r|
BDBM634371 CC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cc(F)cc1c4)c3c2
BDBM634372 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C1=CCN(CC1)C1COC1)c3c2 |t:24|
BDBM634373 CC1CCCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634374 O[C@H]1CCN(C1)c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3 |r|
BDBM634375 Fc1cc2cc(c1)-c1n[nH]c3ccc(OCCCN4CC2OC4=O)cc13
BDBM634376 O=C(NCCCOc1ccc2[nH]ncc2c1)OCc1cccc(c1)C1CCOC1
BDBM634454 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3cc(C)c(O1)cc23 |r|
BDBM634455 C[C@@H]1CCNC(=O)OCc2ccnc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634456 O=C1NCCCNc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
BDBM634457 O=C1NCCCCc2ccc3[nH]nc(-c4cccc(CO1)c4)c3c2
BDBM634458 COc1ncc-2cc1COC(=O)NCC[C@@H](C)Oc1ccc3[nH]nc-2c3c1 |r|
BDBM634377 C[C@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634378 C[C@@H]1CCNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634379 Cn1ccc(n1)-c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634380 C[C@@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2 |r|
BDBM634381 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(OCCN1CCOCC1)c4)c3c2
BDBM634382 COCCc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c1)c2)c4c3
BDBM634440 C[C@@H]1CCNC(=O)OCc2cc(Cl)cc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634460 Cn1nc-2cc1CCOC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634461 C[C@@H]1CCNC(=O)OCc2cccc(n2)-c2n[nH]c3cc(F)c(O1)cc23 |r|
BDBM634459 C[C@@H]1CCNC(=O)OCc2cc(c[nH]c2=O)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634462 O=C1NCCCOc2ccc3[nH]nc(-c4csc(CO1)n4)c3c2
BDBM634463 C[C@@H]1CCNC(=O)OCc2nc(C)cc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634464 O=C1NCCCOc2ccc3[nH]nc(-c4cnc(CCO1)s4)c3c2
BDBM634383 C[C@H]1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2 |r|
BDBM634385 COCCOc1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634386 CC1CCNC(=O)OCc2cc(F)cc(c2)-c2n[nH]c3ccc(O1)cc23
BDBM634388 O=C1COCCN1c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634389 O=C1CCCN1c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634465 C[C@@H]1CCNC(=O)O[C@@H](C)c2cccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634467 FC1(F)CNC(=O)OCc2cccc(c2)-c2n[nH]c3ccc(OC1)cc23
BDBM634466 C[C@@H]1CCNC(=O)OCCn2cc(cc2C#N)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634390 O=C1CCCN1c1ccc-2cc1COC(=O)NCCCOc1ccc3[nH]nc-2c3c1
BDBM634391 CC1CCCN1c1cc2COC(=O)NCCCOc3ccc4[nH]nc(-c(c2)c1)c4c3
BDBM634392 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CC#N)cc(CO1)c4)c3c2
BDBM634395 O=C1NCCCOc2ccc3[nH]nc(-c4cc(CO1)cc(c4)C#C)c3c2
BDBM634445 C[C@@H]1CCNC(=O)OC(C)c2nccc(n2)-c2n[nH]c3ccc(O1)cc23 |r|
BDBM634387 CC1CCOc2ccc3[nH]nc(-c4cccc(COC(=O)N1)c4)c3c2
BDBM634419 CCC1OC(=O)NCCCOc2ccc3[nH]nc(-c4cccc1c4)c3c2
BDBM50609738 C[C@H]1CC1(C#N)c1ccc2cnn(-c3cc(ncn3)N3CC4(CC3C4)C(C)(C)O)c2c1 |r,wU:1.0,(-3.54,-1.2,;-4.87,-.43,;-6.42,-.43,;-5.64,.91,;-6.98,1.68,;-8.31,2.45,;-4.31,1.68,;-4.31,3.23,;-2.98,4,;-1.65,3.23,;-.18,3.7,;.72,2.46,;-.18,1.21,;.22,-.28,;1.7,-.68,;2.1,-2.16,;1.01,-3.25,;-.47,-2.86,;-.88,-1.37,;3.59,-2.56,;4.78,-1.59,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;6.77,-1.06,;6.77,.49,;5.44,-.29,;8.31,-.98,;-1.65,1.69,;-2.97,.92,)|
BDBM50609739 CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1(C)C)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
BDBM50609740 CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C(C)(C#N)C1CC1 |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-6.98,1.68,;-8.31,2.45,;-4.87,-.43,;-4.88,-1.97,;-3.54,-1.2,)|
BDBM50609741 CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
BDBM50609736 C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(CCC#N)cc12 |r|
BDBM50609729 C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncn2ccc(cc12)-c1cnn(C)c1 |r|
BDBM50609737 CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)C1(CC1)C#N |(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.68,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.22,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.88,-.43,;-6.98,1.68,;-8.31,2.45,)|
BDBM50609730 C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1ncc2ccc(cn12)-c1cnn(C)c1 |r|
BDBM50609731 C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
BDBM50609728 C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
BDBM50609732 C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
BDBM50609742 CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)|
BDBM50609733 CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |r|
BDBM50609734 CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)-c1ccn[nH]1 |(8.37,-.94,;7.28,-2.03,;6.88,-.54,;8.37,-3.12,;5.79,-2.43,;5.39,-3.92,;3.85,-4,;4.42,-2.54,;3.3,-2.56,;4.5,-1.59,;1.81,-2.16,;1.42,-.68,;-.07,-.28,;-1.16,-1.37,;-.76,-2.86,;.72,-3.25,;-.47,1.21,;.44,2.46,;-.47,3.7,;-1.93,3.23,;-3.26,4,;-4.6,3.23,;-4.6,1.68,;-3.26,.92,;-1.93,1.69,;-5.93,.91,;-7.34,1.54,;-8.37,.39,;-7.6,-.94,;-6.09,-.62,)|
BDBM50609735 C[C@H]1CN(C[C@@H](C)N1C)c1cc(ncn1)-n1ncc2ccc(CC3(CCC3)C#N)cc12 |r|
BDBM50612203 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:23|
BDBM50612209 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)=C1C |c:34|
BDBM50612224 C[C@H]1C(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C(C)N(C)c2nnnn12 |r,t:17|
BDBM50612228 CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:25|
BDBM50612229 CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C1C |c:26|
BDBM50612230 CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C1C |c:39|
BDBM50612231 CN1c2nnnn2C(C)(C)C(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)=C1C |c:32|
BDBM50612220 CC(=O)N1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:25|
BDBM50612225 C[C@@H]1C(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)=C(C)N(C)c2nnnn12 |r,t:23|
BDBM50612226 C[C@@H]1C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C(C)N(C)c2nnnn12 |r,t:30|
BDBM50612227 C[C@H]1C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C(C)N(C)c2nnnn12 |r,t:30|
BDBM50612242 C[C@@H]1C(C(=O)Nc2ccc3c(N)nccc3c2)=C(C)N(C)c2nnnn12 |r,t:18|
BDBM50612243 CN(C(=O)C1=C(C)N(C)c2nnnn2C1)c1ccc2[nH]ncc2c1 |c:4|
BDBM50612244 CN1c2nnnn2CC(C(=S)Nc2ccc3[nH]ncc3c2)=C1C |c:23|
BDBM50612207 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4cc(ncn4)N4CCOCC4)c3c2)=C1C |c:37|
BDBM50612232 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]cc(C)c3c2)=C1C |c:24|
BDBM50612233 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]cnc3c2)=C1C |c:23|
BDBM50612234 CN1c2nnnn2CC(C(=O)Nc2ccc3cnc(C)n3c2)=C1C |c:24|
BDBM50612235 CN1c2nnnn2CC(C(=O)Nc2ccn3cnc(C)c3c2)=C1C |c:24|
BDBM50612236 CN1c2nnnn2CC(C(=O)Nc2ccc3NC(=O)Cc3c2)=C1C |c:24|
BDBM50612237 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)=C1C |c:24|
BDBM50612238 C[C@@H]1C(C(=O)Nc2ccc3n(C)c(=O)[nH]c3c2)=C(C)N(C)c2nnnn12 |r,t:18|
BDBM50612239 C[C@@H]1C(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)=C(C)N(C)c2nnnn12 |r,t:18|
BDBM50612208 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4ccc(cc4)S(N)(=O)=O)c3c2)=C1C |c:34|
BDBM50612217 CC1=C(Cn2nnnc2N1CCN1CCOCC1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
BDBM50612218 CN(C)C(=O)N1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:27|
BDBM50612219 CC1=C(Cn2nnnc2N1c1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
BDBM50612221 C[C@@H]1C(C(=O)Nc2ccc3[nH]ncc3c2)=C(C)N(C)c2nnnn12 |r,t:16|
BDBM50612222 C[C@H]1C(C(=O)Nc2ccc3[nH]ncc3c2)=C(C)N(C)c2nnnn12 |r,t:16|
BDBM50612223 C[C@@H]1C(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C(C)N(C)c2nnnn12 |r,t:17|
BDBM50612240 C[C@@H]1C(C(=O)Nc2ccc3C(=O)NC(=O)c3c2)=C(C)N(C)c2nnnn12 |r,t:18|
BDBM50612241 C[C@@H]1C(C(=O)Nc2ccc3C(=O)NCc3c2)=C(C)N(C)c2nnnn12 |r,t:17|
BDBM50612204 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(C)c3c2)=C1C |c:24|
BDBM50612205 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)=C1C |c:30|
BDBM50612206 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(-c4ccnc(c4)N4CCOCC4)c3c2)=C1C |c:37|
BDBM50612210 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(Br)c3c2)=C1C |c:24|
BDBM50612211 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)=C1C |c:26|
BDBM50612212 CN1c2nnnn2CC(C(=O)Nc2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)=C1C |c:33|
BDBM50612213 CCCC(=O)Nc1n[nH]c2ccc(NC(=O)C3=C(C)N(C)c4nnnn4C3)cc12 |c:16|
BDBM50612214 CN1C=C(Cn2nnnc12)C(=O)Nc1ccc2[nH]ncc2c1 |c:2|
BDBM50612215 CCC1=C(Cn2nnnc2N1C)C(=O)Nc1ccc2[nH]ncc2c1 |t:2|
BDBM50612216 CCN1c2nnnn2CC(C(=O)Nc2ccc3[nH]ncc3c2)=C1C |c:24|