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921 SMILES Strings for Platelet-derived growth factor receptor alpha

Compound NameSMILES String
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM4810 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM11460 N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
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
BDBM25115 NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
BDBM25116 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
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
BDBM28031 CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50451553 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ncn(C3CCCC3)c2n1 |wU:4.7,wD:1.0,(14.91,1.09,;14.91,-.45,;13.57,-1.22,;13.57,-2.76,;14.91,-3.53,;16.24,-2.76,;16.24,-1.22,;14.91,-5.07,;13.57,-5.84,;13.57,-7.38,;12.24,-8.15,;12.24,-9.69,;10.9,-10.46,;10.9,-12,;9.57,-12.77,;8.24,-12,;8.24,-10.46,;9.57,-9.69,;10.9,-7.38,;9.44,-7.85,;8.54,-6.61,;9.44,-5.36,;8.96,-3.9,;7.5,-3.42,;7.5,-1.88,;8.96,-1.41,;9.87,-2.65,;10.9,-5.84,;12.24,-5.07,)|
BDBM106553 Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)c(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
BDBM106558 Cc1ccc(NC(=O)c2ccc(NC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM106559 CC(Cl)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
BDBM106560 CN(C)C\C=C\C(=O)Nc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
BDBM106561 CN(C)C\C=C\C(=O)Nc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1C(F)(F)F
BDBM106562 Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
BDBM106563 Cc1ccc(NC(=O)c2ccc(CNC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM106564 Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM106565 Cc1ccc(NC(=O)c2ccc3CN(CCc3c2)C(=O)C=C)cc1Nc1nccc(n1)-c1cccnc1
BDBM106566 Cc1cc(nc(Nc2cc(NC(=O)c3ccc(NC(=O)C=C)cc3)ccc2C)n1)-c1cccnc1
BDBM106567 Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM106568 Cc1ccc(NC(=O)c2ccc(CN3C(=O)C=CC3=O)cc2)cc1Nc1nccc(n1)-c1cccnc1 |c:16|
BDBM47167 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM106870 C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
BDBM107057 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM50004227 Cc1c2[nH]c3ccc(O)cc3c2c(C)c2cnccc12
BDBM50004235 Cc1c2[nH+]c3ccc(O)cc3c2c(C)c2cn(C)ccc12
BDBM50007744 Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
BDBM50007745 Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
BDBM50073765 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
BDBM50097956 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50115295 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2cc1OC
BDBM50115297 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OC
BDBM50115298 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2cc1OC
BDBM50115301 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
BDBM50115302 COc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)C)c2cc1OC
BDBM50118826 COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccc4OCOc4c3)c2cc1OC
BDBM50118831 COc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1OC
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50132391 COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC |wU:12.12,wD:9.8,(-.13,-6.56,;-.13,-5.02,;1.2,-4.25,;2.53,-5.02,;3.88,-4.23,;5.21,-5,;6.54,-4.23,;6.54,-2.69,;7.85,-1.9,;9.2,-2.67,;9.2,-4.21,;10.53,-4.98,;11.86,-4.21,;13.19,-4.98,;11.86,-2.67,;10.53,-1.9,;5.19,-1.92,;3.88,-2.69,;2.53,-1.92,;1.2,-2.71,;-.13,-1.94,;-.13,-.4,)|
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50162137 COc1ccc(NC(=O)Nc2ccc(Nc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
BDBM50162138 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)c2cc1OC
BDBM50162139 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3Cl)c2cc1OC
BDBM50162140 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)c2cc1OC
BDBM50162141 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2cc1OC
BDBM50162142 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)c2cc1OC
BDBM50162143 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)c2cc1OC
BDBM50162144 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC
BDBM50162145 COc1cccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1
BDBM50162146 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4[N+]([O-])=O)cc3)c2cc1OC
BDBM50162147 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC
BDBM50162148 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c2cc1OC
BDBM50162149 COc1cc2nccc(Oc3ccc(NC(=S)Nc4ccc(F)cc4)cc3)c2cc1OC
BDBM50162150 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4C)cc3)c2cc1OC
BDBM50162151 COc1cc2nccc(Oc3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3)c2cc1OC
BDBM50162152 COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
BDBM50162153 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)c2cc1OC
BDBM50162154 COc1ccccc1NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
BDBM50162155 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)c2cc1OC
BDBM50162156 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(F)c4F)cc3)c2cc1OC
BDBM50162157 COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
BDBM50162158 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c2cc1OC
BDBM50162159 COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
BDBM50162160 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC
BDBM50162161 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4Cl)cc3)c2cc1OC
BDBM50162162 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1OC
BDBM50162163 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c2cc1OC
BDBM50162164 COc1cc2nccc(Oc3ccc(NC(NC#N)Nc4ccc(F)cc4)cc3)c2cc1OC
BDBM50162165 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4Cl)cc3)c2cc1OC
BDBM50162166 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)c2cc1OC
BDBM50162167 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
BDBM50162168 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
BDBM50162169 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)c2cc1OC
BDBM50162170 COc1cc2nccc(Oc3ccc(NC(=O)Nc4c(F)cccc4F)cc3)c2cc1OC
BDBM50162171 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC
BDBM50162172 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)c2cc1OC
BDBM50174408 CCN(CC)CCCNc1nccc2c(C)c3n(C)c4ccc(O)cc4c3c(C)c12
BDBM50179207 COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50184856 COc1cc2ncnc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC
BDBM50184857 COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC
BDBM50184858 COc1cc2nccc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC
BDBM50184859 COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CCCCC4)cc3)c2cc1OC
BDBM50184860 COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC
BDBM50184861 COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC
BDBM50184862 COc1cc2ncnc(Oc3ccc(NC(=S)NCc4ccccc4)cc3)c2cc1OC
BDBM50184863 COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)c2cc1OC
BDBM50184864 COc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC
BDBM50184865 COc1cc2nccc(Oc3ccc(NC(=S)NC4CCCCC4)cc3)c2cc1OC
BDBM50184866 COc1cc2ncnc(Oc3ccc(NC(=S)NCC4CCCCC4)cc3)c2cc1OC
BDBM50184867 COc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC
BDBM50184868 COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4)cc3)c2cc1OC
BDBM50184869 COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC
BDBM50184870 COc1cc2nccc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50191367 CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C |r,w:16.16,t:28|
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50221346 COc1ccc2cc(ccc2c1)-c1c(nc(-c2ccc(cc2C)S(C)=O)n1C)-c1ccncc1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50241089 CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
BDBM50264389 FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1
BDBM50259601 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
BDBM50259637 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259638 C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259376 C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
BDBM50259532 NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
BDBM50259563 NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
BDBM50244430 Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
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|
BDBM50242740 CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
BDBM50260917 Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
BDBM50263132 Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
BDBM50263167 Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
BDBM50279198 COC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279080 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279236 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)Cn3ccnc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279237 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CC(=O)N(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279238 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279267 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279268 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279269 COC(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)N(C)CCN(C)C)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279270 COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279045 COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279298 COC(=O)c1ccc2C(C(=Nc3ccc(NC(=O)CN4CCN(C)CC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
BDBM50279164 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50277584 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
BDBM50302163 CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1
BDBM50302164 CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1
BDBM50302165 CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1
BDBM50302166 CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1
BDBM50299081 Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
BDBM50299083 CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
BDBM50311985 CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
BDBM50310637 CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3O)cc2)no1
BDBM50311953 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50311954 CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
BDBM50310628 CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50307878 CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
BDBM50307879 Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
BDBM50307880 CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
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
BDBM50300691 CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cn4c(n3)sc3ccccc43)cc2)no1
BDBM50300026 COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
BDBM50300027 COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
BDBM50309547 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(I)cc12 |t:13|
BDBM50309548 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(Br)cc12 |t:13|
BDBM50309549 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccc(F)cc12 |t:13|
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50316252 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50316253 CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
BDBM50315069 CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
BDBM50314776 Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
BDBM50320203 CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
BDBM50314344 Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
BDBM50327046 Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
BDBM50320964 Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
BDBM50322535 CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
BDBM50321892 COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326001 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(C)c3)c2cc1OC
BDBM50330261 CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
BDBM50330262 CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
BDBM50331094 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
BDBM50331095 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50338201 CCNC(=O)Nc1ccc(Oc2ncnc(N)c2\C=N\OC)cc1Cl
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50341234 Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM50341235 Cc1ccc(NC(=O)c2ccc(CN)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM50341236 Cc1ccc(NC(=O)c2ccc(CNC(=O)CCl)cc2)cc1Nc1nccc(n1)-c1cccnc1
BDBM50341237 C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
BDBM50341238 CC(=C)C(=O)NCc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
BDBM50341628 CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50329784 CCNC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329791 CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329792 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329793 CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329794 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329795 CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329796 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329797 CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329798 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329799 CCNC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329800 CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329801 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN(C)C)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329802 CCNCc1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:10.10|
BDBM50329803 CCNC(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)NCCN(CC)CC)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329804 CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:16.16|
BDBM50329805 CCNC(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:11.11|
BDBM50329806 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CCN(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329807 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(CC(=O)N(C)C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329808 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)S(C)(=O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329809 CCN(CC)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)CC)c1ccccc1 |w:12.12|
BDBM50329810 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)C(O)=O)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329811 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(cc3)C(=O)OC)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329812 CCN(C)C(=O)c1ccc2C(C(=Nc3ccccc3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329813 CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(CCCN(C)C)C(C)=O)C(=O)Nc2c1 |w:10.9|
BDBM50329814 CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)C(=O)Nc2c1 |w:10.9|
BDBM50329815 CCNC(=O)c1ccc2C(C=Nc3ccc(CN4CCCCC4)cc3)C(=O)Nc2c1 |w:10.9|
BDBM50329816 CCNC(=O)c1ccc2C(C=Nc3ccc(cc3)N(C)C(=O)CN(C)C)C(=O)Nc2c1 |w:10.9|
BDBM50329817 CCN(C)C(=O)c1ccc2C(C(=NC3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50329818 CCN(C)C(=O)c1ccc2C(C(=NC3CCCCC3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50336457 COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
BDBM50336458 COc1cc(O)c2c(CCCCCC(=O)C[C@H](Br)C[C@H](C)OC2=O)c1 |r|
BDBM50336459 COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O |r,w:16.16,9.9|
BDBM50336460 COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O |r,w:17.18,10.11|
BDBM50336461 COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:15.14|
BDBM50336462 COc1cc(O)c2c(c1)\C=C\CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O |r,t:10|
BDBM50336463 COc1cc(O)c2c(c1)\C=C/CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O |r,c:10|
BDBM50336464 COc1cc(O)c2c(c1)\C=C/CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O |r,c:10|
BDBM50336465 COc1cc(O)c2c(CCCCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O)c1 |r|
BDBM50336466 COc1cc(O)c2c(c1)\C=C\CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O |r,t:10|
BDBM50335376 COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
BDBM50345444 CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
BDBM50345579 CNC(=O)c1ncc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(c2)C(F)(F)F)n1C
BDBM50358430 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
BDBM50360301 C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50350069 Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4scc(-c5ccccc5)c34)c(F)c2)c1=O
BDBM50361196 CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
BDBM50375642 CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl
BDBM50381703 Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
BDBM50381926 COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1
BDBM50381716 Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50381719 C[C@@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r|
BDBM50378568 CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
BDBM50379186 CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
BDBM50399537 Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
BDBM50399540 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
BDBM50389975 Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|
BDBM50384888 Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
BDBM50388873 CNCC#Cc1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
BDBM50388874 CC(C)(C(N)=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
BDBM50388880 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)C#CC(C)(C)N)c1
BDBM50391643 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
BDBM50386749 Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1
BDBM50386693 CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50400600 CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50400601 CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50400602 CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50401285 CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1
BDBM50402339 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nccn3n2)c1
BDBM50402409 O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1 |r|
BDBM50425385 Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
BDBM50425386 Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
BDBM50425387 Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
BDBM50431812 [O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|
BDBM50420996 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
BDBM50420997 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18|
BDBM50421017 CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421018 COCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421020 CCCCNS(=O)(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421021 COCCNS(=O)(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421022 CN1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421023 CCN1CCC(CC1)Oc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18|
BDBM50421024 CCN1CCCC(C1)Nc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18|
BDBM50421025 COCCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421026 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
BDBM50421027 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccc(OC)cc3)c2c1
BDBM50421028 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cccc(F)c3)c2c1
BDBM50421029 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cc(F)cc(F)c3)c2c1
BDBM50421030 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1
BDBM50421031 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3cccc(F)c3)c2c1
BDBM50421032 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccc(C)cc3)c2c1
BDBM50421033 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25|
BDBM50421034 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25|
BDBM50421035 CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3ccccc3F)c2c1 |w:17.25|
BDBM50432373 OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
BDBM50432892 C[C@@H](Oc1c[nH]c(=O)c(c1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50428367 NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
BDBM50429477 FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
BDBM50428696 CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)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|
BDBM50428718 CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM50442259 C[C@@H](Sc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50434697 COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C(F)(F)F)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCCC1
BDBM50443993 CCN(CC)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50443999 Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)NCCN4CCCC4)cc23)cc1Cl |r|
BDBM50447820 CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cc(C)cc(C)c2)n1
BDBM50447821 CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2ccc(OC(F)(F)F)cc2)n1
BDBM50447822 COc1cccc(Nc2nccc(n2)N(C)c2ccc3cn(C)nc3c2)c1
BDBM50447823 CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(Cl)c2)n1
BDBM50447824 CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(F)c2)n1
BDBM50447825 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(OC(F)(F)F)cc2)n1
BDBM50447826 CSc1ccc(Nc2nccc(n2)N(C)c2ccc3c(C)n(C)nc3c2)cc1
BDBM50447827 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cc(C)cc(C)c2)n1
BDBM50447828 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(C)c2)n1
BDBM50447829 COc1cccc(Nc2nccc(n2)N(C)c2ccc3c(C)n(C)nc3c2)c1
BDBM50447830 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(Cl)c2)n1
BDBM50447831 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(Br)c2)n1
BDBM50447832 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(F)c2)n1
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
BDBM50437053 CN1CCC(CC1)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437054 FC(F)(F)c1ccc2NC(=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
BDBM50437060 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)[N+]([O-])=O)cc2C1
BDBM50437062 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1
BDBM50437505 Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
BDBM50436850 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50437557 CCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23
BDBM50437558 CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23
BDBM50437559 CCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23
BDBM50437560 CCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23
BDBM50437561 CCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23
BDBM50437562 CCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(C1=O)c23
BDBM50437563 CN(C)CCNCCNc1ccc2C(=O)N(C)C(=O)c3cccc1c23
BDBM50439772 COc1cc2c(Oc3ccc(NC(=O)NN=Cc4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 |w:15.14|
BDBM50020165 Nc1ncnc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12
BDBM50021574 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
BDBM50022542 COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
BDBM50038423 Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O
BDBM50044303 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
BDBM50041978 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
BDBM50044955 COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)c(=O)c5ccccc45)cc3F)ccnc2cc1OCCCN1CCCC1
BDBM50069097 CC(C)Oc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
BDBM50069098 CCOc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
BDBM50069100 CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
BDBM50069101 COc1cc(cc(OC)c1OC)N(C)c1nc(C)nc2oc(C)cc12
BDBM50069102 COc1ccc(cc1OC)N(C)c1nc(C)nc2oc(C)cc12
BDBM50069103 COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)c(OC)c1
BDBM50069095 COc1ccc2n(ccc2c1)-c1nc(C)nc2oc(C)cc12
BDBM50069096 COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50086266 COc1cc(cc(OC)c1OC)-c1cnc2c(snc2c1)N1CCOCC1
BDBM158478 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cccc(F)c23)c1C
BDBM50086441 CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50051941 COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
BDBM50051942 Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
BDBM50051957 COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
BDBM50033376 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50140265 CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
BDBM50123803 CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50143216 Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1
BDBM50147893 COc1cc2c(Oc3ccc(NC(=O)N\N=C\c4cccc(CC=C)c4O)cc3F)ccnc2cc1OCCCN1CCCCC1
BDBM50152595 N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
BDBM205483 CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1
BDBM50184774 CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
BDBM50184778 COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
BDBM50184780 COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
BDBM50185433 CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
BDBM50157880 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50157881 Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM124970 CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM238345 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12
BDBM50158429 Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50182493 CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
BDBM50172492 COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
BDBM50184770 CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
BDBM50184785 CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
BDBM50184767 COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
BDBM50184772 CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
BDBM50184776 COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12
BDBM50184777 COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12
BDBM50184781 COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
BDBM50184782 CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
BDBM50184784 CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1
BDBM50184786 COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
BDBM50189787 C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(ccc4[nH]3)N3CCN(C)CC3)c2c1)c1c(Cl)cncc1Cl |r|
BDBM50185442 O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
BDBM50184766 CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
BDBM50184769 CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
BDBM50170221 CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
BDBM50170222 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
BDBM50177716 FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
BDBM50187716 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
BDBM50172079 Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 |r|
BDBM50205140 COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
BDBM50191981 CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1
BDBM50192008 CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50192007 CCN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1)C(C)(C)C
BDBM50192005 CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnn3cc(ccc23)-c2ccnn2C)c1
BDBM50192006 Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
BDBM50191945 Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCc1ccc(F)c(F)c1
BDBM50191946 CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1
BDBM50191972 C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1 |r|
BDBM50191973 Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCCN1CCCC1(C)C
BDBM50191974 CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cnn(C)c2)c1
BDBM50191975 Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCC1CCC(C)(C)O1
BDBM50191976 CN(CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2ccnn2C)c1)C(C)(C)C
BDBM50191977 CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cc[nH]n2)c1
BDBM50191978 Cc1ncc(cc1NC(=O)c1cnn2cc(ccc12)-c1cnn(C)c1)C(=O)NCCN1CCCC1(C)C
BDBM50200534 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
BDBM50191980 CN1CCN(CC1)c1ccccc1CNC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(ccc23)-c2ccnn2C)c1
BDBM50230972 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)-n3cccc3CN(C)C)c3ccccc3)C(=O)Nc2c1
BDBM50238294 CCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50238321 Cc1n[nH]c2nc(O)cc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c12
BDBM50238327 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(C)ccc4N4CCOCC4)cc3)c12
BDBM50238329 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4ccco4)cc3)c12
BDBM50235816 CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
BDBM50235820 FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
BDBM50238272 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(N5CCOCC5)c(C)c4)cc3)c12
BDBM50238265 CCc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(c23)C(F)(F)F)c1
BDBM50238284 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12
BDBM50238285 Cc1n[nH]c2nccc(-c3ccc(NC(=S)Nc4cccc(Br)c4)cc3)c12
BDBM50238282 Cc1n[nH]c2N=C(O)CC(c12)c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1 |t:5|
BDBM50238286 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(C)cc4)cc3)c12
BDBM50238287 Cc1n[nH]c2N=C(O)CC(c12)c1ccc(NC(=O)Nc2cccc(C)c2)cc1 |t:5|
BDBM50238290 CN(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)c1
BDBM50238291 CCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50238289 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(CO)c23)c1
BDBM50238292 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4ccccc4)cc3)c12
BDBM50238293 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)c12
BDBM50238295 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
BDBM50238296 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(c23)C(F)(F)F)c1
BDBM50238297 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4ccccn4)cc3)c12
BDBM50238298 CCCCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50238300 CCc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(CO)c23)c1
BDBM50238301 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCc4cccs4)cc3)c12
BDBM50238302 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
BDBM50238304 CCCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50238305 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
BDBM50238306 CCCNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50238307 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCCc4ccccc4)cc3)c12
BDBM50238308 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)c12
BDBM50238309 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CC4)cc3)c12
BDBM50238311 CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)cc1C
BDBM50238312 CN(C)Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)c1
BDBM50238313 CCN(CC)c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)cc1
BDBM50238314 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccc4N4CCOCC4)cc3)c12
BDBM50238316 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50238317 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3)c12
BDBM50238318 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccn[nH]4)cc3)c12
BDBM50238319 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
BDBM50238322 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C#N)cc3)c12
BDBM50238323 CN1CCN(CC1)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)c1
BDBM50238324 Cc1n[nH]c2nc(O)cc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)c12
BDBM50238325 Cc1n[nH]c2nccc(-c3ccc(NC(=S)Nc4cccc(c4)C(F)(F)F)cc3)c12
BDBM50238326 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12
BDBM50238328 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4Cc5ccccc5C4)cc3)c12
BDBM50235830 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
BDBM50235833 Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
BDBM50234570 CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cncc(c3)N3CCOCC3)cc2C(F)(F)F)CC1
BDBM50238266 CN1CCN(CC1)c1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50238267 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccnc4)cc3)c12
BDBM50238268 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cnc5ccccc5c4)cc3)c12
BDBM50238269 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4CCC4)cc3)c12
BDBM50238270 CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)c(C)c1
BDBM50238271 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12
BDBM50238273 CC(C)CNC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM50235817 FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
BDBM50234074 Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
BDBM50238281 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCCCc4ccccc4)cc3)c12
BDBM50238283 CCN(CC)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)c1
BDBM50238299 CCc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)c1
BDBM50238303 CN1CCN(CC1)c1ccc(C)cc1NC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C)c12
BDBM331860 CN(c1ccc2CCOc2c1)c1nc(C)nc2oc(C)cc12
BDBM331862 CN(c1ccc2ccoc2c1)c1nc(C)nc2oc(C)cc12
BDBM331864 COc1ccc2NC(Cc2c1)N(C)c1nc(C)nc2oc(C)cc12
BDBM50235922 Cl.Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1 |r|
BDBM50238288 CN(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]nc(C)c23)cc1
BDBM50238310 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NCCc4ccccc4)cc3)c12
BDBM50238315 Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC(C)(C)C)cc3)c12
BDBM50238320 Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
BDBM50240779 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
BDBM50240780 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
BDBM50240781 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
BDBM50240782 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
BDBM50269615 Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
BDBM50242022 Nc1nccc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)cc2F)c1Cl
BDBM50241992 CC(c1cc2cc(cnc2cc1F)-c1cnn(C)c1)n1nnc2ncc(nc12)-c1cnn(CCO)c1
BDBM50250180 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1
BDBM50255902 CCC(=O)N1CC[C@@H](C1)N1C(=O)N(Cc2cnc(Nc3ccc(N4CCN(CC4)C4COC4)c(C)c3)nc12)c1cc(OC)ccc1Cl |r|
BDBM387836 COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1
BDBM387839 CN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
BDBM387840 CN(C)CCN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
BDBM387845 CN(C)C1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
BDBM387846 COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12
BDBM387854 COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
BDBM378885 Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
BDBM378887 CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
BDBM397897 COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
BDBM50270430 C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r|
BDBM50269498 COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
BDBM50270422 O=C(Nc1cc(on1)C1CC1)n1ccc2cc(Oc3ncnc4CNCc34)ccc12
BDBM50270424 C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc([nH]n1)C1(C)CC1 |r|
BDBM50276297 COC(=O)c1ccc2\C(=C(\Nc3ccc4[nH]c(cc4c3)C(=O)N3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50455346 CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1
BDBM50460035 CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1 |r|
BDBM50467275 COc1cc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
BDBM50463463 COc1cc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc(OC)c1
BDBM50463464 CCCCCCCNc1nc(nc2COCc12)N1CCC(C1)NC(=O)c1ccc(cn1)C(O)=O
BDBM50463479 CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
BDBM50463483 O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
BDBM50463484 CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
BDBM50462213 CN(C)CCN(Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1)C(=O)c1cccnc1
BDBM50451924 CC(C)CCn1cnc2c(NCc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:22.22,wD:25.26,(30.33,-21.14,;28.84,-20.72,;27.74,-21.8,;28.47,-19.23,;26.96,-18.89,;26.51,-17.42,;27.43,-16.19,;26.55,-14.92,;25.07,-15.38,;23.75,-14.59,;23.77,-13.05,;22.45,-12.26,;22.48,-10.72,;23.82,-9.97,;23.84,-8.43,;22.52,-7.65,;21.18,-8.39,;19.85,-7.6,;21.15,-9.93,;22.41,-15.34,;22.39,-16.88,;21.04,-17.63,;19.72,-16.84,;18.37,-17.6,;17.05,-16.8,;17.07,-15.27,;15.75,-14.47,;18.41,-14.52,;19.74,-15.3,;23.71,-17.67,;25.05,-16.92,)|
BDBM50451925 CCCCn1cnc2c(Nc3cc(OC)cc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.23,wD:26.27,(30.73,-20.3,;29.24,-19.92,;28.16,-21.01,;26.67,-20.62,;26.19,-19.16,;27.08,-17.91,;26.17,-16.67,;24.71,-17.16,;23.36,-16.4,;23.35,-14.86,;22.02,-14.1,;22,-12.56,;20.66,-11.8,;20.65,-10.26,;19.31,-9.5,;19.33,-12.58,;19.34,-14.12,;18.02,-14.9,;16.68,-14.14,;20.69,-14.88,;22.04,-17.18,;22.05,-18.72,;20.72,-19.5,;19.38,-18.74,;18.05,-19.52,;16.72,-18.76,;16.71,-17.22,;15.36,-16.46,;18.03,-16.44,;19.37,-17.2,;23.39,-19.48,;24.72,-18.7,)|
BDBM50451926 CC(C)CCn1cnc2c(Nc3ccc(O)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:21.21,wD:24.25,(31.35,-21.41,;29.86,-21,;28.77,-22.08,;29.47,-19.51,;27.99,-19.11,;27.52,-17.64,;28.43,-16.4,;27.53,-15.15,;26.06,-15.62,;24.73,-14.84,;24.74,-13.3,;23.41,-12.52,;23.42,-10.98,;22.09,-10.21,;20.74,-10.97,;19.42,-10.2,;20.74,-12.51,;22.07,-13.29,;23.39,-15.6,;23.39,-17.14,;22.05,-17.91,;20.72,-17.13,;19.39,-17.9,;18.06,-17.12,;18.06,-15.58,;16.73,-14.81,;19.4,-14.82,;20.73,-15.59,;24.72,-17.92,;26.06,-17.16,)|
BDBM50451927 CC(C)CCn1cnc2c(Nc3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:20.20,wD:23.24,(31.21,-20.45,;29.73,-20.03,;28.62,-21.1,;29.34,-18.54,;27.86,-18.12,;27.4,-16.65,;28.33,-15.41,;27.43,-14.16,;25.96,-14.62,;24.64,-13.83,;24.65,-12.29,;23.33,-11.5,;21.99,-12.26,;20.67,-11.47,;20.69,-9.93,;22.02,-9.18,;23.35,-9.96,;23.29,-14.58,;23.28,-16.12,;21.94,-16.88,;20.61,-16.09,;19.26,-16.84,;17.94,-16.06,;17.96,-14.52,;16.64,-13.74,;19.3,-13.76,;20.63,-14.55,;24.6,-16.91,;25.94,-16.16,)|
BDBM50463510 O=c1n(cnc2ccc(cc12)-c1ccnc2ccccc12)-c1ccc(cc1)N1CCOCC1
BDBM50462709 O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
BDBM50463449 COc1cc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc(OC)c1OC
BDBM50463450 COCCCNc1nc(nc2COCc12)N1CCC(C1)NC(=O)c1ccc(cn1)C(O)=O
BDBM50463451 CCc1ccc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc1
BDBM50463452 COc1ccc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc1
BDBM50463453 CCOCCCNc1nc(nc2COCc12)N1CCC(C1)NC(=O)c1ccc(cn1)C(O)=O
BDBM50463454 COc1ccc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc1OC
BDBM50463455 Cc1ccc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc1
BDBM50463456 OC(=O)c1ccc(nc1)C(=O)NC1CCN(C1)c1nc2COCc2c(NC2CCCCC2)n1
BDBM50463458 CCCCCNc1nc(nc2COCc12)N1CCC(C1)NC(=O)c1ccc(cn1)C(O)=O
BDBM50463459 OC(=O)c1ccc(nc1)C(=O)NC1CCN(C1)c1nc2COCc2c(Nc2ccc3OCCOc3c2)n1
BDBM50463460 Cc1ccc(Nc2nc(nc3COCc23)N2CCC(C2)NC(=O)c2ccc(cn2)C(O)=O)cc1C
BDBM50463461 CCCCCCNc1nc(nc2COCc12)N1CCC(C1)NC(=O)c1ccc(cn1)C(O)=O
BDBM50453191 OCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
BDBM50453194 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(23.34,-10.58,;22.01,-11.35,;20.68,-10.58,;19.34,-11.35,;19.34,-12.89,;20.68,-13.66,;22.01,-12.89,;18.01,-13.66,;18.01,-15.2,;19.34,-15.97,;19.34,-17.51,;20.68,-18.28,;22.01,-17.51,;22.01,-15.97,;23.34,-15.2,;24.68,-15.97,;26.01,-15.2,;27.34,-15.97,;28.68,-15.2,;30.01,-15.97,;30.01,-17.51,;28.68,-18.28,;27.34,-17.51,;24.68,-17.51,;23.34,-18.28,;18.01,-18.28,;17.69,-19.79,;16.16,-19.95,;15.53,-18.54,;14.02,-18.22,;12.88,-19.25,;11.55,-18.48,;11.87,-16.98,;13.4,-16.82,;16.67,-17.51,;16.67,-15.97,)|
BDBM50453198 NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
BDBM50453686 CCCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc4cccnc4n(-c4ccc(F)cc4)c3=O)cc2)ccn1
BDBM50453230 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(20.4,-19.7,;21.73,-18.93,;23.06,-19.7,;24.4,-18.93,;24.4,-17.39,;23.06,-16.62,;21.73,-17.39,;25.73,-16.62,;25.73,-15.08,;24.4,-14.31,;24.4,-12.77,;23.06,-12,;21.73,-12.77,;21.73,-14.31,;20.4,-15.08,;19.06,-14.31,;19.06,-12.77,;20.4,-12,;17.73,-15.08,;17.73,-16.62,;16.39,-17.39,;15.06,-16.62,;13.73,-17.39,;12.39,-16.62,;11.06,-17.39,;9.73,-16.62,;9.73,-15.08,;11.06,-14.31,;12.39,-15.08,;15.06,-15.08,;16.39,-14.31,;25.73,-12,;26.05,-10.49,;27.58,-10.33,;28.21,-11.74,;29.71,-12.06,;30.86,-11.03,;32.19,-11.8,;31.87,-13.3,;30.34,-13.46,;27.06,-12.77,;27.06,-14.31,)|
BDBM50455354 CNc1ncc2c(nn(CC3CCCC3)c2n1)-c1ccc(nc1)N1CCN(C)CC1
BDBM50451906 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(O)cc2)c2ncn(C3CCCCC3)c2n1 |r,wU:4.7,wD:1.0,(16.25,-13.57,;17.58,-14.34,;17.58,-15.88,;18.91,-16.65,;20.24,-15.88,;20.25,-14.34,;18.91,-13.57,;21.58,-16.65,;22.92,-15.89,;22.91,-14.35,;24.25,-13.58,;24.26,-12.04,;22.92,-11.27,;22.93,-9.73,;21.59,-8.95,;20.25,-9.72,;18.93,-8.95,;20.26,-11.26,;21.58,-12.03,;25.59,-14.36,;27.05,-13.88,;27.95,-15.12,;27.05,-16.37,;27.52,-17.84,;29.02,-18.16,;29.5,-19.62,;28.46,-20.77,;26.96,-20.44,;26.49,-18.98,;25.58,-15.9,;24.24,-16.66,)|
BDBM50451907 COc1cc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(CCC(C)C)cnc23)cc(OC)c1 |r,wU:10.9,wD:13.13,(20.19,-7.36,;21.53,-8.12,;21.53,-9.66,;22.88,-10.43,;22.88,-11.97,;24.21,-12.73,;24.23,-14.27,;22.9,-15.05,;22.91,-16.59,;21.58,-17.36,;20.23,-16.6,;18.9,-17.38,;17.57,-16.62,;17.56,-15.08,;16.22,-14.32,;18.89,-14.3,;20.23,-15.06,;24.24,-17.35,;25.57,-16.58,;27.04,-17.05,;27.52,-18.51,;29.03,-18.82,;29.44,-20.31,;30.92,-20.7,;28.35,-21.4,;27.94,-15.8,;27.03,-14.56,;25.56,-15.04,;21.55,-12.74,;20.22,-11.98,;18.88,-12.76,;17.54,-12,;20.2,-10.44,)|
BDBM50451908 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C3CCCCC3)c2n1 |r,wU:4.7,wD:1.0,(18.14,-14.52,;19.47,-15.29,;19.47,-16.83,;20.8,-17.61,;22.13,-16.84,;22.14,-15.3,;20.8,-14.53,;23.47,-17.62,;24.81,-16.85,;24.8,-15.31,;26.14,-14.54,;26.15,-13,;24.81,-12.23,;23.47,-13,;22.15,-12.22,;22.14,-10.68,;20.82,-9.91,;23.48,-9.92,;24.82,-10.69,;27.48,-15.31,;28.94,-14.84,;29.84,-16.08,;28.94,-17.33,;29.41,-18.8,;30.91,-19.12,;31.38,-20.58,;30.36,-21.73,;28.85,-21.4,;28.38,-19.94,;27.47,-16.85,;26.13,-17.62,)|
BDBM50451909 CCCCn1cnc2c(NCc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:21.21,wD:24.25,(27.72,-17.33,;26.22,-16.93,;25.13,-18.02,;23.63,-17.69,;23.16,-16.24,;24.06,-14.99,;23.16,-13.74,;21.69,-14.22,;20.36,-13.45,;20.36,-11.91,;19.02,-11.14,;19.02,-9.6,;20.36,-8.83,;20.36,-7.29,;19.02,-6.52,;17.69,-7.29,;16.36,-6.52,;17.69,-8.83,;19.02,-14.22,;19.02,-15.76,;17.69,-16.53,;16.36,-15.76,;15.02,-16.53,;13.69,-15.76,;13.69,-14.22,;12.36,-13.45,;15.02,-13.45,;16.36,-14.22,;20.36,-16.53,;21.69,-15.76,)|
BDBM50451910 CCCCCCn1cnc2c(Nc3cc(OC)cc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.25,wD:28.29,(31.13,-26.67,;29.64,-26.27,;29.24,-24.79,;27.76,-24.38,;27.37,-22.89,;25.88,-22.49,;25.41,-21.02,;26.32,-19.78,;25.42,-18.53,;23.95,-19,;22.62,-18.22,;22.63,-16.68,;21.3,-15.91,;21.3,-14.37,;19.97,-13.6,;19.98,-12.06,;18.64,-11.28,;18.64,-14.36,;18.63,-15.9,;17.29,-16.66,;15.96,-15.89,;19.96,-16.68,;21.28,-18.99,;21.28,-20.53,;19.94,-21.3,;18.62,-20.52,;17.28,-21.28,;15.94,-20.51,;15.95,-18.97,;14.62,-18.19,;17.29,-18.2,;18.62,-18.98,;22.61,-21.3,;23.95,-20.54,)|
BDBM50451911 CCCCn1cnc2c(Nc3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:19.19,wD:22.23,(32.83,-17.52,;31.34,-17.12,;30.26,-18.23,;28.77,-17.84,;28.29,-16.37,;29.18,-15.12,;28.27,-13.88,;26.81,-14.36,;25.46,-13.61,;25.46,-12.07,;24.12,-11.3,;22.78,-12.09,;21.45,-11.32,;21.44,-9.78,;22.77,-9.01,;24.11,-9.76,;24.14,-14.38,;24.15,-15.92,;22.82,-16.71,;21.48,-15.94,;20.15,-16.72,;18.81,-15.96,;18.81,-14.42,;17.46,-13.66,;20.13,-13.64,;21.47,-14.4,;25.49,-16.69,;26.82,-15.9,)|
BDBM50451912 CC(C)=CCC\C(C)=C\Cn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.26,wD:29.30,(30.99,-21.68,;29.51,-21.27,;28.4,-22.35,;29.12,-19.77,;27.64,-19.37,;27.26,-17.88,;25.77,-17.46,;24.67,-18.54,;25.38,-15.97,;23.91,-15.55,;23.44,-14.09,;24.36,-12.85,;23.47,-11.59,;22,-12.06,;20.67,-11.27,;20.69,-9.74,;19.36,-8.95,;19.37,-7.41,;18.05,-6.63,;16.7,-7.39,;16.69,-8.93,;15.35,-9.68,;18.02,-9.71,;19.33,-12.03,;19.32,-13.57,;17.97,-14.33,;16.64,-13.55,;15.3,-14.3,;13.98,-13.52,;13.99,-11.98,;12.67,-11.2,;15.33,-11.22,;16.66,-12.01,;20.64,-14.36,;21.98,-13.6,)|
BDBM50451913 COc1ccc(Cn2cnc3c(Nc4cccc(Cl)c4)nc(N[C@H]4CC[C@H](N)CC4)nc23)cc1 |r,wU:23.23,wD:26.27,(32.37,-22.74,;32,-21.25,;30.52,-20.83,;30.15,-19.33,;28.67,-18.9,;27.56,-19.97,;26.08,-19.54,;25.63,-18.07,;26.57,-16.83,;25.68,-15.57,;24.21,-16.02,;22.89,-15.22,;22.92,-13.68,;21.61,-12.89,;21.64,-11.35,;20.32,-10.56,;18.96,-11.3,;18.93,-12.84,;17.58,-13.58,;20.26,-13.64,;21.54,-15.97,;21.51,-17.51,;20.17,-18.26,;18.85,-17.46,;17.49,-18.2,;16.18,-17.41,;16.21,-15.87,;14.89,-15.07,;17.56,-15.12,;18.88,-15.92,;22.83,-18.3,;24.18,-17.56,;27.93,-21.46,;29.41,-21.89,)|
BDBM50451914 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(Cl)c2)c2ncn(Cc3ccccc3)c2n1 |r,wU:4.7,wD:1.0,(15.01,-18,;16.34,-18.77,;16.34,-20.31,;17.67,-21.09,;19,-20.32,;19.01,-18.78,;17.67,-18.01,;20.34,-21.09,;21.68,-20.32,;21.68,-18.78,;23.01,-18.02,;23.02,-16.48,;21.68,-15.7,;21.69,-14.16,;20.36,-13.39,;19.02,-14.16,;19.02,-15.7,;17.68,-16.47,;20.35,-16.47,;24.35,-18.79,;25.81,-18.32,;26.71,-19.56,;25.8,-20.81,;26.28,-22.28,;27.76,-22.68,;28.85,-21.59,;30.34,-21.99,;30.73,-23.48,;29.65,-24.57,;28.16,-24.17,;24.34,-20.33,;23,-21.1,)|
BDBM50451915 COc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(CCC(C)C)cnc23)c(OC)c1 |r,wU:11.10,wD:14.14,(16.46,-11.02,;16.44,-12.56,;17.77,-13.34,;19.11,-12.58,;20.44,-13.36,;20.43,-14.9,;21.75,-15.68,;21.74,-17.23,;20.4,-17.98,;20.38,-19.52,;19.03,-20.28,;19.02,-21.82,;20.34,-22.6,;20.33,-24.14,;18.99,-24.9,;18.97,-26.44,;17.66,-24.12,;17.68,-22.58,;21.71,-20.31,;23.05,-19.56,;24.51,-20.04,;24.97,-21.51,;26.47,-21.85,;26.86,-23.34,;28.34,-23.76,;25.75,-24.41,;25.42,-18.8,;24.53,-17.55,;23.06,-18.02,;19.08,-15.66,;19.06,-17.2,;17.72,-17.96,;17.75,-14.88,)|
BDBM50451916 CCCCCCn1cnc2c(Nc3ccc(O)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:22.22,wD:25.26,(31.33,-23.73,;29.85,-23.32,;29.45,-21.84,;27.97,-21.44,;27.58,-19.94,;26.09,-19.54,;25.62,-18.08,;26.53,-16.83,;25.63,-15.59,;24.16,-16.06,;22.83,-15.29,;22.84,-13.75,;21.51,-12.97,;21.51,-11.43,;20.18,-10.66,;18.84,-11.43,;17.52,-10.65,;18.84,-12.97,;20.17,-13.74,;21.5,-16.05,;21.49,-17.59,;20.15,-18.36,;18.83,-17.58,;17.49,-18.35,;16.16,-17.58,;16.17,-16.04,;14.84,-15.26,;17.51,-15.27,;18.83,-16.04,;22.82,-18.36,;24.15,-17.6,)|
BDBM50451917 CCCCCCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:22.22,wD:25.26,(32.15,-22.08,;30.67,-21.66,;30.28,-20.17,;28.8,-19.76,;28.42,-18.27,;26.93,-17.85,;26.47,-16.39,;27.39,-15.14,;26.49,-13.89,;25.03,-14.35,;23.69,-13.57,;23.71,-12.03,;22.38,-11.25,;22.4,-9.71,;21.07,-8.93,;19.73,-9.69,;19.72,-11.23,;18.38,-11.98,;21.04,-12.01,;22.35,-14.33,;22.34,-15.87,;21,-16.63,;19.67,-15.85,;18.33,-16.6,;17,-15.82,;17.02,-14.28,;15.69,-13.5,;18.36,-13.52,;19.69,-14.31,;23.67,-16.65,;25.01,-15.89,)|
BDBM50451918 CC(C)=CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:21.21,wD:24.25,(31.11,-21.4,;29.62,-20.99,;28.52,-22.07,;29.24,-19.5,;27.75,-19.09,;27.29,-17.63,;28.2,-16.39,;27.3,-15.13,;25.84,-15.6,;24.51,-14.82,;24.53,-13.28,;23.2,-12.49,;23.21,-10.95,;21.88,-10.17,;20.55,-10.93,;20.53,-12.47,;19.19,-13.23,;21.86,-13.25,;23.17,-15.57,;23.16,-17.11,;21.82,-17.87,;20.49,-17.09,;19.15,-17.85,;17.83,-17.07,;17.84,-15.53,;16.51,-14.75,;19.18,-14.77,;20.5,-15.55,;24.48,-17.9,;25.83,-17.14,)|
BDBM50451919 CCCCCCn1cnc2c(Nc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:22.22,wD:25.26,(33.21,-21.47,;31.73,-21.06,;31.34,-19.57,;29.85,-19.15,;29.47,-17.66,;27.99,-17.25,;27.52,-15.78,;28.45,-14.54,;27.55,-13.29,;26.08,-13.75,;24.75,-12.96,;24.77,-11.42,;23.44,-10.64,;22.1,-11.4,;20.77,-10.62,;20.79,-9.08,;19.46,-8.29,;22.13,-8.32,;23.46,-9.1,;23.41,-13.72,;23.4,-15.26,;22.06,-16.02,;20.73,-15.24,;19.38,-15.99,;18.06,-15.21,;18.07,-13.67,;16.75,-12.88,;19.41,-12.91,;20.74,-13.7,;24.72,-16.05,;26.06,-15.29,)|
BDBM50451920 CCCCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:20.20,wD:23.24,(31.45,-19.52,;29.97,-19.11,;28.87,-20.19,;27.39,-19.78,;26.93,-18.31,;27.84,-17.07,;26.95,-15.82,;25.48,-16.28,;24.15,-15.5,;24.16,-13.96,;22.84,-13.18,;22.85,-11.64,;21.52,-10.86,;20.18,-11.62,;20.17,-13.16,;18.83,-13.91,;21.5,-13.94,;22.81,-16.26,;22.8,-17.8,;21.46,-18.56,;20.12,-17.78,;18.79,-18.54,;17.46,-17.75,;17.47,-16.21,;16.15,-15.43,;18.81,-15.45,;20.15,-16.24,;24.12,-18.58,;25.46,-17.82,)|
BDBM50451921 CC(C)CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:21.21,wD:24.25,(30.25,-24.11,;28.76,-23.74,;27.69,-24.85,;28.34,-22.26,;26.85,-21.89,;26.35,-20.43,;27.23,-19.17,;26.3,-17.94,;24.84,-18.44,;23.49,-17.69,;23.47,-16.15,;22.12,-15.41,;22.1,-13.87,;20.75,-13.12,;19.42,-13.91,;19.46,-15.45,;18.13,-16.24,;20.81,-16.2,;22.18,-18.49,;22.2,-20.03,;20.88,-20.82,;19.53,-20.07,;18.22,-20.86,;16.87,-20.12,;16.84,-18.58,;15.49,-17.83,;18.16,-17.78,;19.51,-18.53,;23.55,-20.77,;24.87,-19.98,)|
BDBM50451922 CCCCn1cnc2c(Nc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:20.20,wD:23.24,(30.54,-23.03,;29.06,-22.61,;27.95,-23.7,;26.47,-23.28,;26.01,-21.82,;26.93,-20.58,;26.03,-19.32,;24.56,-19.78,;23.23,-19,;23.25,-17.46,;21.92,-16.68,;20.58,-17.43,;19.26,-16.65,;19.27,-15.11,;17.94,-14.33,;20.61,-14.35,;21.94,-15.14,;21.89,-19.76,;21.88,-21.3,;20.53,-22.06,;19.21,-21.27,;17.87,-22.03,;16.54,-21.25,;16.56,-19.71,;15.23,-18.92,;17.89,-18.95,;19.22,-19.73,;23.21,-22.08,;24.55,-21.32,)|
BDBM50451923 CC(C)CCn1cnc2c(Nc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:21.21,wD:24.25,(31.09,-21.21,;29.6,-20.79,;28.5,-21.86,;29.23,-19.29,;27.75,-18.87,;27.29,-17.4,;28.22,-16.17,;27.34,-14.91,;25.86,-15.36,;24.54,-14.57,;24.57,-13.03,;23.25,-12.23,;21.9,-12.99,;20.58,-12.19,;20.6,-10.65,;19.28,-9.86,;21.95,-9.91,;23.27,-10.69,;23.2,-15.31,;23.17,-16.85,;21.83,-17.61,;20.5,-16.81,;19.16,-17.56,;17.84,-16.77,;17.86,-15.23,;16.54,-14.44,;19.21,-14.48,;20.53,-15.27,;24.49,-17.65,;25.84,-16.9,)|
BDBM50452149 CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
BDBM50451928 CC(C)CCn1cnc2c(Nc3cccc(O)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:21.21,wD:24.25,(30.19,-25.03,;28.7,-24.63,;27.61,-25.71,;28.3,-23.13,;26.82,-22.73,;26.35,-21.26,;27.26,-20.03,;26.36,-18.77,;24.89,-19.24,;23.56,-18.47,;23.57,-16.93,;22.24,-16.16,;20.9,-16.92,;19.57,-16.14,;19.58,-14.6,;20.91,-13.84,;20.92,-12.3,;22.24,-14.62,;22.23,-19.24,;22.23,-20.78,;20.88,-21.54,;19.55,-20.76,;18.22,-21.53,;16.89,-20.75,;16.89,-19.21,;15.56,-18.44,;18.23,-18.45,;19.56,-19.22,;23.55,-21.55,;24.89,-20.78,)|
BDBM50469353 CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
BDBM50510909 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCC(O)C3)c2n1 |r,wU:1.0,wD:4.7,(3.69,-41.44,;5.02,-42.22,;6.36,-41.45,;7.68,-42.22,;7.68,-43.76,;6.35,-44.53,;5.02,-43.76,;9.01,-44.52,;10.35,-43.75,;10.35,-42.2,;11.69,-41.42,;11.68,-39.87,;13.02,-39.1,;14.36,-39.87,;15.69,-39.1,;15.68,-37.55,;14.33,-36.78,;13.01,-37.56,;17.01,-36.78,;18.34,-37.54,;19.67,-36.78,;19.67,-35.24,;21,-34.47,;22.34,-35.24,;22.33,-36.78,;23.66,-37.55,;24.99,-36.78,;24.99,-35.23,;23.66,-34.47,;18.34,-34.47,;17,-35.24,;13.03,-42.19,;14.5,-41.71,;15.41,-42.97,;14.5,-44.21,;14.49,-45.75,;13.24,-46.66,;13.7,-48.13,;15.24,-48.14,;16.57,-48.91,;15.72,-46.68,;13.03,-43.74,;11.69,-44.52,)|
BDBM50510912 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(CCCO)c2n1 |r,wU:1.0,wD:4.7,(55.15,-40.57,;56.48,-41.34,;57.81,-40.58,;59.14,-41.35,;59.13,-42.89,;57.8,-43.67,;56.47,-42.89,;60.47,-43.67,;61.8,-42.89,;61.8,-41.35,;63.13,-40.58,;63.13,-39.04,;64.46,-38.26,;65.8,-39.04,;67.12,-38.26,;67.12,-36.72,;68.45,-35.95,;69.79,-36.71,;69.78,-38.25,;71.12,-39.01,;72.45,-38.24,;72.45,-36.7,;71.11,-35.93,;65.78,-35.96,;64.45,-36.73,;64.47,-41.34,;65.94,-40.87,;66.84,-42.12,;65.94,-43.37,;65.93,-44.9,;67.25,-45.68,;68.59,-44.93,;69.92,-45.71,;64.47,-42.89,;63.14,-43.67,)|
BDBM50510914 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(50.31,-9.1,;51.64,-9.88,;52.97,-9.12,;54.3,-9.89,;54.3,-11.44,;52.96,-12.2,;51.63,-11.42,;55.63,-12.21,;56.97,-11.44,;56.97,-9.89,;58.3,-9.12,;58.29,-7.58,;59.62,-6.81,;60.96,-7.58,;62.29,-6.81,;62.28,-5.26,;60.94,-4.5,;59.61,-5.28,;63.61,-4.49,;63.6,-2.96,;64.93,-2.18,;66.27,-2.94,;66.28,-4.48,;64.95,-5.26,;64.95,-6.8,;59.63,-9.89,;61.1,-9.41,;62.01,-10.66,;61.1,-11.91,;61.58,-13.37,;60.67,-14.61,;61.58,-15.86,;63.04,-15.38,;63.04,-13.84,;59.63,-11.43,;58.3,-12.21,)|
BDBM50510916 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(18.06,-39.89,;19.39,-40.67,;20.73,-39.91,;22.05,-40.68,;22.05,-42.23,;20.72,-42.99,;19.38,-42.21,;23.39,-43,;24.72,-42.23,;24.72,-40.69,;26.05,-39.91,;26.05,-38.37,;27.38,-37.6,;27.37,-36.07,;28.69,-35.29,;30.04,-36.06,;30.04,-37.6,;28.71,-38.37,;31.36,-35.28,;32.77,-35.88,;33.79,-34.73,;33.01,-33.41,;31.51,-33.74,;27.39,-40.68,;28.85,-40.2,;29.76,-41.45,;28.85,-42.7,;29.33,-44.16,;28.43,-45.41,;29.33,-46.65,;30.8,-46.18,;30.8,-44.64,;27.39,-42.22,;26.05,-43,)|
BDBM50510919 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Oc3nccs3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(21.08,-53.65,;22.41,-54.43,;23.75,-53.67,;25.08,-54.44,;25.08,-55.99,;23.74,-56.75,;22.41,-55.97,;26.41,-56.76,;27.75,-55.99,;27.75,-54.44,;29.08,-53.67,;29.07,-52.13,;30.4,-51.36,;31.74,-52.13,;33.07,-51.36,;33.06,-49.82,;34.39,-49.04,;35.73,-49.8,;37.14,-49.16,;38.17,-50.3,;37.41,-51.64,;35.9,-51.33,;31.72,-49.05,;30.39,-49.83,;30.41,-54.44,;31.88,-53.96,;32.79,-55.21,;31.88,-56.46,;32.36,-57.92,;31.45,-59.17,;32.36,-60.41,;33.82,-59.93,;33.82,-58.39,;30.41,-55.98,;29.08,-56.76,)|
BDBM50510922 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2CN2CCOCC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(4.71,-24.86,;6.05,-25.63,;7.39,-24.87,;8.71,-25.64,;8.7,-27.18,;7.38,-27.96,;6.04,-27.18,;10.04,-27.96,;11.37,-27.18,;11.38,-25.64,;12.7,-24.87,;12.69,-23.33,;14.03,-22.55,;15.36,-23.33,;16.69,-22.55,;16.69,-21.01,;15.34,-20.25,;14.02,-21.02,;12.68,-20.26,;12.66,-18.72,;14,-17.95,;13.99,-16.42,;12.65,-15.65,;11.32,-16.43,;11.32,-17.97,;14.04,-25.63,;15.5,-25.16,;16.42,-26.41,;15.5,-27.66,;15.99,-29.12,;15.08,-30.36,;15.99,-31.61,;17.45,-31.13,;17.45,-29.59,;14.04,-27.18,;12.7,-27.96,)|
BDBM50510926 NCCCCNc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(CCCO)c2n1
BDBM50510927 OCCCCNc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(CCCO)c2n1
BDBM50510929 NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCC(O)C3)c2n1
BDBM50509140 COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
BDBM50510930 OCCCCNc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCC(O)C3)c2n1
BDBM50510933 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(55.46,-39.35,;56.79,-40.13,;58.13,-39.36,;59.45,-40.14,;59.45,-41.69,;58.12,-42.45,;56.78,-41.67,;60.79,-42.45,;62.12,-41.69,;62.12,-40.14,;63.45,-39.37,;63.45,-37.83,;64.78,-37.06,;64.77,-35.52,;66.09,-34.74,;67.44,-35.51,;67.44,-37.05,;66.11,-37.82,;68.77,-34.73,;68.74,-33.2,;70.06,-32.42,;71.41,-33.17,;71.42,-34.71,;70.1,-35.49,;70.11,-37.03,;64.79,-40.14,;66.26,-39.65,;67.17,-40.9,;66.26,-42.15,;66.73,-43.62,;65.83,-44.87,;66.73,-46.11,;68.2,-45.63,;68.2,-44.09,;64.79,-41.68,;63.45,-42.45,)|
BDBM50510935 NCCCCNc1nc(Nc2ccccc2CN2CCOCC2)c2ncn(C3CCCC3)c2n1
BDBM50510936 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(CCCO)c2n1 |r,wU:1.0,wD:4.7,(36.5,-43.39,;37.83,-44.16,;39.17,-43.4,;40.49,-44.17,;40.49,-45.71,;39.16,-46.48,;37.83,-45.71,;41.82,-46.48,;43.15,-45.71,;43.16,-44.17,;44.48,-43.4,;44.48,-41.86,;45.81,-41.08,;47.14,-41.86,;48.47,-41.08,;48.47,-39.54,;47.12,-38.78,;47.11,-37.24,;48.44,-36.46,;49.78,-37.22,;51.1,-36.45,;51.1,-34.91,;49.76,-34.15,;48.42,-34.92,;45.8,-39.55,;45.82,-44.16,;47.29,-43.69,;48.19,-44.93,;47.29,-46.18,;47.27,-47.72,;48.6,-48.5,;49.94,-47.74,;51.27,-48.52,;45.82,-45.7,;44.49,-46.48,)|
BDBM50510937 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCC(O)C3)c2n1 |r,wU:1.0,wD:4.7,(50.01,-9.4,;51.33,-10.18,;52.67,-9.42,;54,-10.18,;53.99,-11.72,;52.66,-12.5,;51.33,-11.72,;55.33,-12.5,;56.66,-11.73,;56.66,-10.18,;58,-9.41,;57.99,-7.87,;59.32,-7.1,;60.66,-7.86,;61.98,-7.09,;61.98,-5.55,;60.63,-4.78,;60.62,-3.24,;61.95,-2.46,;63.29,-3.23,;64.61,-2.46,;64.61,-.92,;63.27,-.15,;61.93,-.93,;59.31,-5.56,;59.33,-10.17,;60.8,-9.7,;61.7,-10.95,;60.8,-12.19,;60.79,-13.73,;59.54,-14.63,;60,-16.09,;61.53,-16.11,;62.86,-16.87,;62.02,-14.65,;59.33,-11.72,;58,-12.5,)|
BDBM50509949 COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
BDBM50510940 OCCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCCC3)c2n1
BDBM50510941 OCCCNc1nc(Nc2ccc(Oc3nccs3)cc2)c2ncn(C3CCCC3)c2n1
BDBM50510942 NCCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCCC3)c2n1
BDBM50510945 NCCCCNc1nc(Nc2ccc(Oc3nccs3)cc2)c2ncn(C3CCCC3)c2n1
BDBM50507645 CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N
BDBM50515229 COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2cc1OC
BDBM50510569 COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
BDBM50510133 CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
BDBM50510910 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-n2cncn2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(34.87,-24.32,;36.2,-25.1,;37.54,-24.34,;38.87,-25.11,;38.87,-26.66,;37.53,-27.42,;36.2,-26.64,;40.2,-27.43,;41.54,-26.66,;41.54,-25.11,;42.87,-24.34,;42.86,-22.8,;44.19,-22.03,;45.53,-22.8,;46.86,-22.03,;46.85,-20.49,;45.51,-19.72,;44.18,-20.5,;48.18,-19.71,;49.59,-20.33,;50.61,-19.18,;49.84,-17.85,;48.33,-18.17,;44.2,-25.11,;45.67,-24.63,;46.58,-25.88,;45.67,-27.13,;46.15,-28.59,;45.24,-29.84,;46.15,-31.08,;47.61,-30.61,;47.61,-29.07,;44.2,-26.65,;42.87,-27.43,)|
BDBM50510911 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Oc3ncccn3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(37.89,-7.63,;39.22,-8.41,;40.56,-7.65,;41.89,-8.42,;41.88,-9.96,;40.55,-10.73,;39.22,-9.95,;43.21,-10.73,;44.55,-9.96,;44.55,-8.42,;45.88,-7.64,;45.87,-6.1,;47.2,-5.33,;48.54,-6.1,;49.87,-5.33,;49.86,-3.79,;51.19,-3.01,;52.53,-3.78,;52.53,-5.31,;53.87,-6.08,;55.2,-5.3,;55.19,-3.75,;53.85,-3,;48.52,-3.02,;47.19,-3.8,;47.21,-8.41,;48.68,-7.93,;49.59,-9.18,;48.68,-10.43,;49.16,-11.89,;48.25,-13.14,;49.16,-14.38,;50.62,-13.91,;50.62,-12.37,;47.21,-9.95,;45.88,-10.73,)|
BDBM50510913 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(27.17,-9.69,;28.5,-10.46,;29.84,-9.7,;31.17,-10.47,;31.17,-12.02,;29.83,-12.78,;28.5,-12,;32.5,-12.79,;33.84,-12.02,;33.84,-10.48,;35.17,-9.71,;35.16,-8.17,;36.49,-7.39,;37.83,-8.16,;39.16,-7.39,;39.15,-5.85,;37.81,-5.08,;36.48,-5.86,;40.48,-5.07,;40.47,-3.54,;41.79,-2.76,;43.14,-3.53,;43.15,-5.07,;41.82,-5.84,;41.82,-7.38,;36.5,-10.47,;37.97,-9.99,;38.88,-11.24,;37.97,-12.49,;38.45,-13.95,;37.54,-15.2,;38.45,-16.44,;39.91,-15.97,;39.91,-14.43,;36.5,-12.01,;35.17,-12.79,)|
BDBM50510915 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-n2cccn2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(2.63,-25.25,;3.96,-26.03,;5.3,-25.26,;6.62,-26.03,;6.62,-27.58,;5.29,-28.35,;3.95,-27.57,;7.96,-28.35,;9.29,-27.58,;9.29,-26.04,;10.62,-25.27,;10.62,-23.73,;11.95,-22.96,;13.28,-23.73,;14.61,-22.95,;14.61,-21.41,;13.26,-20.65,;11.94,-21.42,;15.93,-20.63,;16.08,-19.1,;17.59,-18.77,;18.36,-20.1,;17.34,-21.25,;11.96,-26.03,;13.42,-25.56,;14.33,-26.8,;13.42,-28.05,;13.9,-29.52,;13,-30.76,;13.9,-32.01,;15.37,-31.53,;15.37,-29.99,;11.96,-27.58,;10.62,-28.35,)|
BDBM50520597 COc1cc(C)cc2cc(sc12)-c1cn([C@H]2CCN(C2)C(=O)C=C)c2ncnc(N)c12 |r|
BDBM50510917 COc1ccccc1-c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cn1 |r,wU:20.21,wD:17.17,(51.16,-37.92,;49.82,-37.16,;49.81,-35.62,;51.13,-34.84,;51.12,-33.3,;49.77,-32.55,;48.45,-33.33,;48.47,-34.86,;47.16,-35.64,;45.81,-34.87,;44.48,-35.65,;44.49,-37.19,;43.16,-37.96,;43.17,-39.5,;41.83,-40.27,;41.83,-41.82,;40.5,-42.58,;39.16,-41.82,;39.16,-40.27,;37.84,-39.49,;36.5,-40.26,;35.17,-39.48,;36.5,-41.8,;37.83,-42.58,;43.17,-42.59,;44.5,-41.81,;45.97,-42.28,;46.87,-41.03,;45.97,-39.78,;44.5,-40.27,;46.45,-43.75,;45.55,-45,;46.45,-46.24,;47.91,-45.76,;47.91,-44.22,;45.83,-37.95,;47.16,-37.18,)|
BDBM50510918 COc1ccc(cc1)-c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cn1 |r,wU:20.21,wD:17.17,(21.13,-47.63,;19.78,-46.87,;18.45,-47.65,;18.47,-49.19,;17.14,-49.98,;15.82,-49.21,;15.8,-47.68,;17.11,-46.9,;14.49,-50,;13.15,-49.23,;11.82,-50.01,;11.83,-51.54,;10.5,-52.31,;10.5,-53.85,;9.17,-54.63,;9.17,-56.17,;7.83,-56.94,;6.51,-56.17,;6.51,-54.62,;5.18,-53.85,;3.84,-54.61,;2.51,-53.83,;3.83,-56.16,;5.17,-56.93,;10.51,-56.94,;11.84,-56.16,;13.31,-56.64,;14.22,-55.39,;13.31,-54.14,;11.84,-54.62,;13.78,-58.1,;12.88,-59.35,;13.78,-60.59,;15.25,-60.12,;15.25,-58.58,;13.16,-52.31,;14.5,-51.54,)|
BDBM50510920 OCCCCNc1nc(Nc2ccc(Oc3nccs3)cc2)c2ncn(C3CCCC3)c2n1
BDBM50510921 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Oc3ccc(Br)cn3)cc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(53.25,-7.95,;54.58,-8.72,;55.92,-7.96,;57.24,-8.73,;57.23,-10.27,;55.91,-11.04,;54.57,-10.26,;58.57,-11.04,;59.9,-10.27,;59.9,-8.73,;61.23,-7.96,;61.23,-6.42,;62.56,-5.64,;63.89,-6.41,;65.22,-5.64,;65.22,-4.1,;66.55,-3.32,;67.88,-4.09,;69.21,-3.31,;70.54,-4.07,;70.55,-5.61,;71.89,-6.38,;69.22,-6.39,;67.89,-5.63,;63.87,-3.33,;62.55,-4.11,;62.57,-8.72,;64.03,-8.24,;64.94,-9.49,;64.03,-10.74,;64.51,-12.2,;63.61,-13.45,;64.51,-14.69,;65.98,-14.22,;65.98,-12.68,;62.57,-10.26,;61.23,-11.04,)|
BDBM50510923 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(20.31,-24.84,;21.64,-25.61,;22.98,-24.85,;24.3,-25.62,;24.29,-27.16,;22.97,-27.94,;21.63,-27.16,;25.63,-27.93,;26.96,-27.16,;26.96,-25.62,;28.29,-24.85,;28.29,-23.31,;29.62,-22.54,;30.95,-23.31,;32.28,-22.53,;32.28,-20.99,;30.93,-20.23,;30.92,-18.69,;32.25,-17.91,;33.58,-18.67,;34.91,-17.9,;34.91,-16.36,;33.57,-15.6,;32.23,-16.37,;29.61,-21,;29.63,-25.61,;31.09,-25.14,;32,-26.38,;31.09,-27.63,;31.57,-29.1,;30.67,-30.34,;31.57,-31.59,;33.04,-31.11,;33.04,-29.57,;29.63,-27.16,;28.3,-27.94,)|
BDBM50510924 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2CN2CCOCC2)c2ncn(CCCO)c2n1 |r,wU:1.0,wD:4.7,(19.5,-43.84,;20.83,-44.62,;22.16,-43.86,;23.49,-44.63,;23.48,-46.17,;22.15,-46.94,;20.82,-46.16,;24.81,-46.93,;26.15,-46.17,;26.15,-44.63,;27.47,-43.85,;27.47,-42.32,;28.8,-41.55,;30.13,-42.31,;31.46,-41.54,;31.45,-40,;30.11,-39.24,;28.78,-40.02,;27.45,-39.25,;27.43,-37.71,;28.77,-36.95,;28.76,-35.42,;27.42,-34.65,;26.1,-35.43,;26.1,-36.97,;28.8,-44.62,;30.27,-44.14,;31.18,-45.39,;30.27,-46.64,;30.26,-48.17,;31.58,-48.95,;32.92,-48.19,;34.25,-48.98,;28.81,-46.16,;27.47,-46.94,)|
BDBM50510925 OCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(CCCO)c2n1
BDBM50510928 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCC(O)C3)c2n1 |r,wU:1.0,wD:4.7,(4.6,-23.06,;5.93,-23.84,;7.27,-23.08,;8.6,-23.85,;8.59,-25.39,;7.26,-26.17,;5.92,-25.38,;9.93,-26.17,;11.26,-25.39,;11.26,-23.84,;12.6,-23.07,;12.59,-21.53,;13.93,-20.76,;15.26,-21.52,;16.59,-20.75,;16.58,-19.21,;17.91,-18.44,;19.24,-19.2,;19.23,-20.73,;20.56,-21.49,;21.89,-20.73,;21.89,-19.19,;20.56,-18.42,;15.23,-18.44,;13.91,-19.22,;13.93,-23.84,;15.4,-23.36,;16.31,-24.61,;15.4,-25.86,;15.39,-27.39,;14.14,-28.3,;14.6,-29.76,;16.14,-29.78,;17.47,-30.54,;16.62,-28.32,;13.94,-25.38,;12.6,-26.17,)|
BDBM50510931 COc1ccccc1-c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.21,wD:17.17,(21.75,-7.77,;20.41,-7.01,;20.41,-5.47,;21.74,-4.69,;21.73,-3.15,;20.38,-2.39,;19.06,-3.17,;19.07,-4.7,;17.74,-5.47,;17.74,-7.02,;16.41,-7.79,;15.08,-7.02,;13.75,-7.79,;13.75,-9.33,;12.43,-10.1,;12.42,-11.65,;11.09,-12.42,;9.76,-11.65,;9.76,-10.1,;8.43,-9.33,;7.09,-10.09,;5.76,-9.31,;7.09,-11.63,;8.42,-12.41,;13.76,-12.42,;15.09,-11.64,;16.56,-12.12,;17.46,-10.87,;16.56,-9.62,;15.09,-10.1,;17.04,-13.58,;16.13,-14.82,;17.04,-16.07,;18.5,-15.59,;18.5,-14.05,;15.07,-5.49,;16.39,-4.71,)|
BDBM50510932 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-n2cnnc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(18.68,-24.67,;20.01,-25.45,;21.35,-24.69,;22.68,-25.46,;22.68,-27.01,;21.34,-27.77,;20.01,-26.99,;24.01,-27.78,;25.34,-27.01,;25.34,-25.46,;26.67,-24.69,;26.67,-23.15,;28,-22.38,;29.33,-23.15,;30.66,-22.38,;30.66,-20.84,;29.31,-20.07,;27.99,-20.85,;31.98,-20.06,;33.39,-20.68,;34.42,-19.53,;33.64,-18.2,;32.14,-18.52,;28.01,-25.46,;29.48,-24.98,;30.38,-26.23,;29.48,-27.48,;29.95,-28.94,;29.05,-30.19,;29.95,-31.43,;31.42,-30.96,;31.42,-29.42,;28.01,-27,;26.68,-27.78,)|
BDBM50510938 OCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCC(O)C3)c2n1
BDBM50510939 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(CCCO)c2n1 |r,wU:1.0,wD:4.7,(52.15,-54.7,;53.48,-55.48,;54.82,-54.73,;56.15,-55.49,;56.14,-57.03,;54.82,-57.81,;53.48,-57.03,;57.48,-57.81,;58.81,-57.03,;58.82,-55.49,;60.15,-54.72,;60.14,-53.17,;61.47,-52.4,;62.8,-53.17,;64.13,-52.4,;64.13,-50.86,;62.78,-50.09,;61.46,-50.87,;65.46,-50.08,;66.79,-50.86,;68.12,-50.08,;68.12,-48.54,;69.46,-47.78,;70.79,-48.54,;70.79,-50.08,;72.12,-50.85,;73.46,-50.08,;73.45,-48.53,;72.11,-47.77,;66.79,-47.78,;65.45,-48.55,;61.48,-55.48,;62.94,-55.01,;63.86,-56.26,;62.94,-57.5,;62.93,-59.04,;64.26,-59.82,;65.6,-59.06,;66.93,-59.85,;61.48,-57.03,;60.15,-57.81,)|
BDBM50510943 NCCCCNc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCC(O)C3)c2n1
BDBM50510944 NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(CCCO)c2n1
BDBM50510946 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(51.37,-24.03,;52.7,-24.8,;54.04,-24.04,;55.37,-24.81,;55.37,-26.36,;54.03,-27.13,;52.7,-26.35,;56.7,-27.13,;58.03,-26.36,;58.04,-24.82,;59.36,-24.05,;59.36,-22.51,;60.69,-21.73,;60.68,-20.2,;62,-19.42,;63.35,-20.19,;63.35,-21.73,;62.02,-22.5,;64.67,-19.41,;64.83,-17.88,;66.33,-17.55,;67.11,-18.88,;66.08,-20.03,;60.7,-24.81,;62.17,-24.33,;63.07,-25.58,;62.17,-26.83,;62.64,-28.29,;61.74,-29.54,;62.65,-30.79,;64.11,-30.31,;64.11,-28.77,;60.7,-26.35,;59.37,-27.13,)|
BDBM445222 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NC3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM445223 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCC3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM444543 CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
BDBM50532181 COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|
BDBM50510934 C1CCC(C1)n1cnc2c(Nc3ccc(Oc4nccs4)cc3)nc(nc12)N1CCOCC1
BDBM445949 Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445950 Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445951 Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445952 Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445953 Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
BDBM445956 Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445960 Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445962 Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445964 CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445969 Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445971 Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
BDBM445983 Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
BDBM50528842 Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCCCC1 |c:10|
BDBM50528843 Clc1ccc(cc1)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCOCC1 |c:10|
BDBM50528844 Fc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:15|
BDBM50501882 Fc1cccc(NC(=O)CC(=O)Nc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)c1
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM445213 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445214 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCCN(C)CC3)c3ccccc3)c2cc1C
BDBM445215 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(CC3)N(C)C)c3ccccc3)c2cc1C
BDBM445216 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCC(=O)N3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM445217 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCC(=O)N3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445218 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCNC(=O)C3)c3ccccc3)c2cc1C
BDBM445219 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCC(=O)N3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445220 CNC(=O)CN1CCN(CC1)C(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
BDBM445221 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(O)CC3)c3ccccc3)c2cc1C
BDBM445224 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCN(CC(=O)NCCO)CC3)c3ccccc3)c2cc1C
BDBM50536479 C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(nc12)-c1cnn(C)c1 |r|
BDBM445225 COC(=O)c1cc2NC(=O)\C(=C(/Nc3cccc(c3)C(=O)N(C)CCN(C)C)c3ccccc3)c2cc1C
BDBM445226 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445227 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445228 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM445229 COCCN1CCC(CC1)NC(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
BDBM445230 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCCN3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445231 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCCN(C)C)c3ccccc3)c2cc1C
BDBM445232 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(F)(F)CC3)c3ccccc3)c2cc1C
BDBM445233 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCN(CC3)C(C)=O)c3ccccc3)c2cc1C
BDBM445234 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)S(=O)(=O)NCCN(C)C)c3ccccc3)c2cc1C
BDBM445235 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)S(=O)(=O)N3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM445236 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N[C@H]3CCCN(C)C3)c3ccccc3)c2cc1C |r|
BDBM445237 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(F)CC3)c3ccccc3)c2cc1C
BDBM445238 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)c3ccccc3)c2cc1C
BDBM445239 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC4(CC3)N(C)CCNC4=O)c3ccccc3)c2cc1C
BDBM445240 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(CC3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
BDBM445241 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(CCO)CCN(C)C)c3ccccc3)c2cc1C
BDBM445242 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CC[C@@H](CN(C)C)[C@H](O)C3)c3ccccc3)c2cc1C |r|
BDBM445243 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCCN(CC3)C(C)=O)c3ccccc3)c2cc1C
BDBM445244 COCCN(C)CCNC(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
BDBM445245 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCC3(CCOCC3)N(C)C)c3ccccc3)c2cc1C
BDBM445246 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(O)(CN4CCCC4)CC3)c3ccccc3)c2cc1C
BDBM445247 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(CO)(CN(C)C)CC3)c3ccccc3)c2cc1C
BDBM445248 COCCNC(=O)CN1CCN(CC1)C(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
BDBM445249 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCC3(CCC3)N(C)C)c3ccccc3)c2cc1C
BDBM445250 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)C3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM445251 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCC(CO)CC3)c3ccccc3)c2cc1C
BDBM445252 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC4(CC3)N(C)CCCNC4=O)c3ccccc3)c2cc1C
BDBM445253 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCN(CC3)S(C)(=O)=O)c3ccccc3)c2cc1C
BDBM445254 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(O)(CN4CCOCC4)CC3)c3ccccc3)c2cc1C
BDBM445255 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM445256 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCC(CC3)(N3CCCCC3)C(N)=O)c3ccccc3)c2cc1C
BDBM445257 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)[C@H]3CN(C)C[C@@H]3O)c3ccccc3)c2cc1C |r|
BDBM445263 CNC(=O)CN(C)CCNC(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
BDBM445264 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(C(=O)NCCN4CCNC(=O)C4)c(F)c3)c3ccccc3)c2cc1C
BDBM445265 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN3CCCNC(=O)C3)c3ccccc3)c2cc1C
BDBM445209 COC(=O)c1ccc2c(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c(O)[nH]c2c1 |w:10.10|
BDBM445210 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)S(=O)(=O)NCCN3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM445211 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
BDBM445212 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCC3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM50538438 Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|
BDBM50538442 Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
BDBM50538507 COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
BDBM50538508 COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
BDBM50538509 COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
BDBM50537742 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
BDBM50543320 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn(nn2)-c2ccc(OCCN3CCOCC3)cc2Cl)no1
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM490086 Cc1ccnc(C)c1-c1ccc2nc(NC(=O)C3C[C@@H]3F)sc2c1 |r|
BDBM497267 CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1 |r,wU:13.12,wD:3.3,16.16,(-8.93,-2.23,;-7.59,-1.46,;-6.26,-2.23,;-4.93,-1.46,;-4.93,.08,;-3.59,-2.23,;-2.26,-1.46,;-2.26,.08,;-.93,.85,;.41,.08,;1.87,.56,;2.78,-.69,;1.87,-1.94,;2.35,-3.4,;3.85,-3.72,;4.33,-5.19,;3.3,-6.33,;3.78,-7.79,;1.79,-6.01,;1.32,-4.55,;.41,-1.46,;-.93,-2.23,;2.35,2.02,;3.85,2.34,;4.33,3.81,;3.3,4.95,;1.79,4.63,;1.32,3.16,;3.78,6.41,;3.04,7.77,;5.26,6.02,;6.35,7.1,;7.84,6.71,;8.93,7.79,;8.24,5.22,;7.15,4.13,;7.55,2.64,;5.66,4.53,)|
BDBM507086 CON(C1CCN(C)CC1)C(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1
BDBM507087 CCN1CCN(CCONC(=O)c2ccc(N\C(=C3/C(=O)Nc4cc(C(=O)OC)c(C)cc34)c3ccccc3)cc2)CC1
BDBM507088 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)N3CCO3)c3ccccc3)C(=O)Nc2c1
BDBM507089 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CC[C@@H](C3)N(C)C)c3ccccc3)C(=O)Nc2c1 |r|
BDBM507090 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCN(CCO)CC3)c3ccccc3)C(=O)Nc2c1
BDBM507091 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCC(O)CC3)c3ccccc3)C(=O)Nc2c1
BDBM507092 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCS(=O)(=O)CC3)c3ccccc3)C(=O)Nc2c1
BDBM507093 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCNC(=O)C3)c3ccccc3)C(=O)Nc2c1
BDBM507094 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCC(CC3)C#N)c3ccccc3)C(=O)Nc2c1
BDBM507095 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3[C@@H](C)CCC[C@H]3C)c3ccccc3)C(=O)Nc2c1 |r|
BDBM507096 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN(C)CCO)c3ccccc3)C(=O)Nc2c1
BDBM507097 COCCN1CCN(CCONC(=O)c2ccc(N\C(=C3/C(=O)Nc4cc(ccc34)C(=O)OC)c3ccccc3)cc2)CC1
BDBM507098 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCC(CC3)N(C)C)c3ccccc3)C(=O)Nc2c1
BDBM507099 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)S(=O)(=O)NOCCN(C)C)c3ccccc3)c2cc1C
BDBM507100 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CCCCC3)c3ccccc3)c2cc1C
BDBM507101 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CCC(CC3)N(C)C)c3ccccc3)c2cc1C
BDBM507102 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CC[C@@H](C3)N(C)C)c3ccccc3)c2cc1C |r|
BDBM507103 COC1CCN(CCONC(=O)c2ccc(N\C(=C3/C(=O)Nc4cc(C(=O)OC)c(C)cc34)c3ccccc3)cc2)CC1
BDBM507104 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCCN3CCCCC3)c3ccccc3)c2cc1C
BDBM507105 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CCC(O)CC3)c3ccccc3)c2cc1C
BDBM507106 COC1CCN(CCCONC(=O)c2ccc(N\C(=C3/C(=O)Nc4cc(C(=O)OC)c(C)cc34)c3ccccc3)cc2)CC1
BDBM507107 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN(C)CCO)c3ccccc3)c2cc1C
BDBM507108 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3CCNCC3)c3ccccc3)c2cc1C
BDBM507109 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM507110 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3C[C@@H]4C[C@H]3CN4)c3ccccc3)c2cc1C |r|
BDBM507111 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3C4CCC3CNC4)c3ccccc3)c2cc1C |TLB:25:26:28.29:31.33.32|
BDBM507112 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3CC4CCC(C3)N4)c3ccccc3)c2cc1C |THB:25:26:29.30:33|
BDBM507113 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3CCN[C@@H](C)C3)c3ccccc3)c2cc1C |r|
BDBM507114 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CCC(CC3)C#N)c3ccccc3)c2cc1C
BDBM507115 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3CCN[C@H](C)C3)c3ccccc3)c2cc1C |r|
BDBM507116 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)N(C)OCCN3CC4CC(C3)N4)c3ccccc3)c2cc1C
BDBM507122 CNC(=O)CN1CCN(CCONC(=O)c2ccc(N\C(=C3/C(=O)Nc4cc(C(=O)OC)c(C)cc34)c3ccccc3)cc2)CC1
BDBM507053 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)S(=O)(=O)NOCCN3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM507055 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM507056 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(C(=O)NOCCN(C)C)c(C)c3)c3ccccc3)c2cc1C
BDBM507057 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM507058 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN3CCN(CCO)CC3)c3ccccc3)c2cc1C
BDBM507059 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCCCC3)c3ccccc3)C(=O)Nc2c1
BDBM507060 CNC(=O)CN1CCN(CCON(C)C(=O)c2ccc(N\C(=C3/C(=O)Nc4cc(C(=O)OC)c(C)cc34)c3ccccc3)cc2)CC1
BDBM507061 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)S(=O)(=O)N(C)OCCN(C)CCO)c3ccccc3)c2cc1C
BDBM507063 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN3CCOCC3)c3ccccc3)C(=O)Nc2c1
BDBM507065 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)N(C)OCCN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM507066 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)S(=O)(=O)NOCCN(C)C)c3ccccc3)C(=O)Nc2c1
BDBM507067 COC(=O)c1ccc2\C(=C(\Nc3ccc(C(=O)NOCCN4CCOCC4)c(C)c3)c3ccccc3)C(=O)Nc2c1
BDBM507068 COC(=O)c1ccc2\C(=C(\Nc3ccc(C(=O)NOCCN4CCN(C)CC4)c(C)c3)c3ccccc3)C(=O)Nc2c1
BDBM507069 COC(=O)c1ccc2\C(=C(\Nc3ccc(C(=O)N(C)OCCN4CCN(C)CC4)c(C)c3)c3ccccc3)C(=O)Nc2c1
BDBM507070 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCCN(C)C)c3ccccc3)C(=O)Nc2c1
BDBM507071 COC(=O)c1ccc2\C(=C(\Nc3ccc(C(=O)NOCCN(C)C)c(F)c3)c3ccccc3)C(=O)Nc2c1
BDBM507072 CON(C1CCN(C)CC1)C(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)OC)c2ccccc2)cc1
BDBM507073 COC(=O)c1ccc2\C(=C(\Nc3ccc(C(=O)N(C)OCCN(C)C)c(C)c3)c3ccccc3)C(=O)Nc2c1
BDBM507074 CON(CCN(C)C)C(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)OC)c2ccccc2)cc1
BDBM507075 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)N3CCN(C)CCO3)c3ccccc3)C(=O)Nc2c1
BDBM507076 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)S(=O)(=O)N(C)OCCN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM507077 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCN(C)C)c3ccccc3)c2cc1C
BDBM507078 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOCCCN(C)C)c3ccccc3)c2cc1C
BDBM507079 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(C(=O)NOCCN4CCN(C)CC4)c(C)c3)c3ccccc3)c2cc1C
BDBM507080 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(C(=O)NOCCCN(C)C)c(C)c3)c3ccccc3)c2cc1C
BDBM507081 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NOC3CCN(C)CC3)c3ccccc3)c2cc1C
BDBM507082 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(C(=O)NOC4CCN(C)CC4)c(C)c3)c3ccccc3)c2cc1C
BDBM507083 COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(C(=O)NOCCN4CCN(C)CC4)c(F)c3)c3ccccc3)c2cc1C
BDBM507084 COC(=O)c1ccc2\C(=C(\Nc3ccc(C(=O)NOCCN4CCN(C)CC4)c(F)c3)c3ccccc3)C(=O)Nc2c1
BDBM507085 CON(C1CCN(C)CC1)C(=O)c1ccc(N\C(=C2/C(=O)Nc3cc(C(=O)OC)c(C)cc23)c2ccccc2)cc1C
BDBM507054 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)C(=O)NOCCN(C)C)c3ccccc3)C(=O)Nc2c1
BDBM50555904 COc1cc2c(Oc3ccc(NC(=O)NN4C(SCC4=O)c4c(F)cccc4F)cc3)ccnc2cc1OC1CCN(CC1)C(=O)NC(C)C
BDBM50562672 CNC(=O)c1cc(ccn1)-n1ccc2cc(NC(=O)Nc3ccc(N4CCN(C)CC4)c(c3)C(F)(F)F)ccc12
BDBM50560786 Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
BDBM50560788 Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
BDBM50560789 COc1cc(OCc2ccnc(N)n2)c(Cl)c2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
BDBM50560790 Nc1nccc(COc2ccc3nc(N[C@H]4CCCC[C@@H]4O)sc3c2)c1Cl |r|
BDBM50560792 COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
BDBM50560793 Nc1nccc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1Cl
BDBM50560795 COc1cc(OCc2ccnc(N)n2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
BDBM50560798 Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2F)c1Cl |r|
BDBM50560801 Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2Cl)c1Cl |r|
BDBM50560804 Nc1nccc(COc2cc(F)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
BDBM50560807 Nc1nccc(COc2cc(Cl)c3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)c1Cl |r|
BDBM50560812 COc1cc(OCc2ccnc(Nc3cnn(C)c3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12 |r|
BDBM50560813 COc1cc(OCc2ccnc(N)c2Cl)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
BDBM50560816 Nc1nccc(COc2ccc3nc(N[C@@H]4CCCC[C@@H]4O)sc3c2)c1Cl |r|
BDBM50564969 COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
BDBM50563891 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
BDBM50565738 CN1CCN(CC(=O)Nc2nc(C)c(s2)-c2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)CC1
BDBM531218 COC(=O)Cc1cc(C)c(cc1[N+]([O-])=O)C(=O)OC
BDBM531219 COC(=O)c1cc2N(C(C)=O)C(=O)\C(=C(/Nc3ccc(cc3)C(=O)OC(C)(C)C)c3ccccc3)c2cc1C
BDBM531233 COC(=O)c1cc2N(C(C)=O)C(=O)\C(=C(/Nc3ccc(cc3)C(=O)N3CCN(CC(=O)OC(C)(C)C)CC3)c3ccccc3)c2cc1C
BDBM50571440 CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
BDBM50577040 CC(C)n1cc(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]c3ncnc(N)c23)c(=O)c(c1)-c1ccc(F)cc1
BDBM50569187 O=S1(=O)CC2(OCCO2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc12
BDBM50575344 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|
BDBM50575343 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|
BDBM50579499 CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(nc4)C(F)(F)F)cc3)ncnc2c1
BDBM50578022 Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
BDBM50571477 Cc1c(NC(=O)CCN2CCCC2)c[nH]c1\C=C1/C(=O)Nc2ccc(F)cc12
BDBM50582559 CN1CCN(CC1)[C@H]1CC(F)(F)c2cc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)ccc12 |r|
BDBM595552 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC4)C3=O)nc2)ccn1
BDBM595651 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(F)(F)CC4)C3=O)nc2)ccn1
BDBM595661 Cc1nc(NC(=O)N2CCC3(CCC(F)(F)CC3)C2=O)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM595662 Cc1nc(NC(=O)N2CCC3(CCC3)C2=O)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM595665 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCCC(F)(F)C4)C3=O)nc2)ccn1
BDBM595666 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(=O)C4)C3=O)nc2)ccn1
BDBM595667 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(O)C4)C3=O)nc2)ccn1
BDBM595668 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CCC(F)(F)C4)C3=O)nc2)ccn1
BDBM595671 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CNC4)C3=O)nc2)ccn1
BDBM595672 CC(=O)N1CC2(C1)CCN(C(=O)Nc1ccc(Oc3ccnc(c3)-c3cnn(C)c3)cn1)C2=O
BDBM595673 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)N3CCC4(CN(C4)S(C)(=O)=O)C3=O)nc2)ccn1
BDBM50589661 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CC2)[nH]c1=O
BDBM50589662 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CCCC2)[nH]c1=O
BDBM50589663 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CCOCC2)[nH]c1=O
BDBM50589664 CCNc1ncc(-c2ccc(Oc3ccnc(c3)-c3ccc(C)nc3)c(C)n2)c(=O)[nH]1
BDBM50589668 CC(C)Nc1ncc(-c2ccc(Oc3ccnc(NC(C)=O)c3)c(C)n2)c(=O)[nH]1
BDBM50589669 CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)n1C
BDBM50589670 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc(NC2CC2)n(C)c1=O
BDBM50589671 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1
BDBM50589672 Cn1cc(cn1)-c1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)nc2)ccn1
BDBM50589673 Cc1nc(NC(=O)NC(=O)Cc2ccc(F)cc2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589674 Cc1cc(NC(=O)NC(=O)Cc2ccc(F)cc2)ncc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589653 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc([nH]c1=O)N1CCCC1
BDBM50589654 Cc1cc(ncc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc([nH]c1=O)N1CCCC1
BDBM50589659 CCNc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)cn2)c(=O)[nH]1
BDBM50589660 CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)[nH]1
BDBM50589652 CN(C)c1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)[nH]1
BDBM50589655 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc([nH]c1=O)N1CCCCC1
BDBM50589656 Cc1nc(ccc1Oc1ccnc(c1)-c1cnn(C)c1)-c1cnc([nH]c1=O)N1CCOCC1
BDBM50589667 CNC(=O)c1cc(Oc2ccc(nc2)-c2cnc(NC(C)C)[nH]c2=O)ccn1
BDBM50589657 CNc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)[nH]1
BDBM50589658 CCNc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)[nH]1
BDBM50589665 CCNc1ncc(-c2ccc(Oc3ccnc(c3)-n3cnc(C)c3)c(C)n2)c(=O)[nH]1
BDBM50589666 CCn1cc(cn1)-c1cc(Oc2ccc(nc2C)-c2cnc(NC(C)C)[nH]c2=O)ccn1
BDBM50589675 Cc1nc(NC(=O)NC(=O)CC2CCCCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589676 Cc1nc(NC(=O)NC(=O)C2CCCCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589677 Cc1nc(NC(=O)NC(=O)C2CCCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589678 Cc1nc(NC(=O)NC(=O)C2CCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589679 Cc1nc(NC(=O)NC(=O)C2(C)CC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589680 Cc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589681 CC(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cnn(C)c2)c(C)n1
BDBM50589682 CCC(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cnn(C)c2)c(C)n1
BDBM50589686 Cc1nc(NC(=O)NC(=O)C2(C)CCOCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589687 Cc1nc(NC(=O)NC(=O)C2CCOC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589688 COC1(CC1)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cnn(C)c2)c(C)n1
BDBM50589683 CCc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589685 Cc1nc(NC(=O)NC(=O)C2CCOCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50589689 COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cnn(C)c2)c(C)n1
BDBM50589690 COCC(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cnn(C)c2)c(C)n1
BDBM50589691 COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2ccc(C)nc2)c(C)n1
BDBM50589692 COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2ccnc(C)c2)c(C)n1
BDBM50589693 COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cnc(C)s2)c(C)n1
BDBM50589694 COC(C)(C)C(=O)NC(=O)Nc1ccc(Oc2ccnc(c2)-c2cc(C)no2)c(C)n1
BDBM50589684 Cc1nc(NC(=O)NC(=O)CC2CCOCC2)ccc1Oc1ccnc(c1)-c1cnn(C)c1
BDBM50590471 CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc([nH]n1)-c1ccc2ncn(Cc3ccccc3)c2c1
BDBM50592745 COCC1CN(C1)C1CCN(CC1)c1cc(OC)c(Nc2ncc(Br)c(Nc3ccc4OCCOc4c3P(C)(C)=O)n2)cc1C
BDBM50592449 Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
BDBM50596646 NCCCNCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:24.24,wD:21.20,(-10.08,8.34,;-8.99,7.25,;-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.27,;-1.26,5.18,;.23,5.57,;1.32,4.49,;2.81,4.88,;3.2,6.37,;3.9,3.8,;3.5,2.31,;4.58,1.22,;6.07,1.62,;7.16,.53,;6.76,-.96,;5.28,-1.35,;4.88,-2.84,;3.39,-3.24,;2.3,-2.15,;2.7,-.66,;1.61,.43,;.12,.03,;-.97,1.12,;-.28,-1.46,;.81,-2.55,;5.97,-3.93,;7.45,-3.53,;8.74,-4.34,;9.94,-3.38,;9.41,-1.98,;7.85,-2.05,;8.74,-5.88,;10.08,-6.65,;9.73,-8.19,;8.23,-8.34,;7.61,-6.92,;6.47,3.11,;5.37,4.19,)|
BDBM50596647 NCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:21.21,wD:18.17,(7.14,10.78,;6.75,9.29,;5.26,8.89,;4.86,7.41,;3.37,7.01,;2.97,5.52,;1.49,5.12,;.4,6.21,;1.09,3.63,;-.4,3.24,;-.8,1.75,;.29,.66,;-.11,-.82,;.98,-1.91,;.58,-3.4,;-.9,-3.8,;-1.3,-5.28,;-2.79,-5.68,;-3.88,-4.59,;-3.48,-3.11,;-4.57,-2.02,;-6.06,-2.41,;-7.14,-1.33,;-6.45,-3.9,;-5.37,-4.99,;-.21,-6.38,;1.28,-5.97,;2.56,-6.79,;3.77,-5.82,;3.23,-4.42,;1.67,-4.49,;2.56,-8.33,;3.9,-9.1,;3.55,-10.63,;2.06,-10.78,;1.44,-9.36,;1.78,1.06,;2.17,2.55,)|
BDBM50596648 NCCCNCCCCNC(=O)c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:25.25,wD:22.21,(9.03,12.67,;8.63,11.18,;7.14,10.78,;6.75,9.29,;5.26,8.89,;4.86,7.41,;3.37,7.01,;2.97,5.52,;1.49,5.12,;1.09,3.63,;-.4,3.24,;-1.49,4.32,;-.8,1.75,;-2.29,1.35,;-2.68,-.13,;-1.6,-1.22,;-1.99,-2.71,;-.91,-3.8,;-1.3,-5.29,;-2.79,-5.68,;-3.19,-7.17,;-4.67,-7.57,;-5.76,-6.48,;-5.36,-4.99,;-6.45,-3.9,;-7.94,-4.3,;-9.03,-3.21,;-8.34,-5.79,;-7.25,-6.88,;-2.09,-8.26,;-.61,-7.86,;.68,-8.67,;1.88,-7.71,;1.35,-6.31,;-.22,-6.38,;.68,-10.21,;2.01,-10.98,;1.67,-12.51,;.17,-12.67,;-.45,-11.25,;-.1,-.82,;.29,.67,)|
BDBM50596643 NCCCNCCCCNCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:26.26,wD:23.22,(-12.11,8.28,;-10.62,8.68,;-9.53,7.59,;-8.04,7.99,;-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;2.26,5.23,;3.35,4.14,;4.84,4.54,;5.93,3.45,;5.53,1.96,;6.61,.88,;8.1,1.27,;9.19,.18,;8.79,-1.3,;7.31,-1.7,;6.91,-3.19,;5.42,-3.58,;4.33,-2.5,;4.73,-1.01,;3.64,.08,;2.15,-.32,;1.06,.77,;1.75,-1.8,;2.84,-2.89,;8,-4.28,;9.49,-3.87,;10.77,-4.69,;11.98,-3.72,;11.44,-2.33,;9.88,-2.39,;10.77,-6.23,;12.11,-7,;11.76,-8.53,;10.27,-8.68,;9.65,-7.26,;8.5,2.77,;7.41,3.85,)|
BDBM50596644 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(N)=O)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-5.52,2.1,;-4.43,1.01,;-2.94,1.41,;-1.86,.32,;-2.25,-1.17,;-3.74,-1.57,;-4.83,-.48,;-1.16,-2.26,;.32,-1.86,;.72,-.37,;2.2,.02,;2.6,1.51,;1.51,2.6,;.03,2.2,;-1.06,3.29,;-.66,4.78,;.82,5.18,;1.91,4.1,;-1.75,5.87,;-1.35,7.35,;-3.24,5.47,;3.29,-1.06,;4.86,-1,;5.39,-2.4,;4.19,-3.36,;4.19,-4.9,;5.52,-5.67,;5.18,-7.2,;3.68,-7.35,;3.06,-5.94,;2.9,-2.55,;1.42,-2.95,)|
BDBM50596645 NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.20,wD:17.16,(-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.26,;-1.26,5.18,;.23,5.57,;.63,7.06,;1.32,4.49,;.92,3,;2,1.91,;3.49,2.31,;4.58,1.22,;4.18,-.27,;2.7,-.66,;2.3,-2.15,;.81,-2.55,;-.28,-1.46,;.12,.03,;-.97,1.12,;-2.45,.72,;-3.54,1.81,;-2.85,-.77,;-1.76,-1.86,;3.39,-3.24,;4.88,-2.84,;6.17,-3.65,;7.37,-2.69,;6.83,-1.29,;5.27,-1.36,;6.17,-5.19,;7.5,-5.96,;7.15,-7.49,;5.66,-7.65,;5.04,-6.23,;3.89,3.8,;2.8,4.89,)|
BDBM50596641 NCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;.38,3.34,;1.46,2.26,;2.95,2.65,;4.04,1.57,;3.64,.08,;2.15,-.32,;1.76,-1.81,;.27,-2.2,;-.82,-1.11,;-.42,.37,;-1.51,1.46,;-3,1.06,;-4.09,2.15,;-3.4,-.42,;-2.31,-1.51,;2.85,-2.9,;4.33,-2.49,;5.62,-3.31,;6.82,-2.34,;6.29,-.95,;4.73,-1.01,;5.62,-4.85,;6.95,-5.62,;6.61,-7.15,;5.11,-7.3,;4.49,-5.88,;3.35,4.15,;2.25,5.23,)|
BDBM50596642 NCCCNCCCCNc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:22.22,wD:19.18,(-9.53,7.59,;-8.04,7.99,;-6.95,6.9,;-5.47,7.3,;-4.38,6.21,;-2.89,6.61,;-1.8,5.52,;-.31,5.92,;.77,4.83,;2.26,5.23,;3.35,4.14,;2.95,2.65,;4.04,1.57,;5.52,1.96,;6.61,.88,;6.21,-.61,;4.73,-1.01,;4.33,-2.5,;2.84,-2.89,;1.76,-1.81,;2.15,-.32,;1.06,.77,;-.42,.37,;-1.51,1.46,;-.82,-1.11,;.27,-2.2,;5.43,-3.59,;6.91,-3.18,;8.2,-4,;9.4,-3.03,;8.87,-1.64,;7.3,-1.7,;8.2,-5.54,;9.53,-6.31,;9.18,-7.84,;7.69,-7.99,;7.07,-6.57,;5.92,3.46,;4.83,4.54,)|
BDBM50601764 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
BDBM50601765 COC(=O)c1ccc2c(C(Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c(O)[nH]c2c1
BDBM50604104 Brc1c[nH]c2ccc(Nc3ncnc4ccc(NC(=O)C=C)cc34)cc12
BDBM50604105 ClCCC(=O)Nc1ccc2ncnc(Nc3ccc4[nH]cc(Br)c4c3)c2c1
BDBM50601440 COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1
BDBM50604027 CCN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1OC
BDBM50604028 COc1cc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)ccc1N1CCN(C)CC1
BDBM50604029 Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccc2cn[nH]c2c1
BDBM50604030 Cc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)nc1Nc1ccc2cn[nH]c2c1
BDBM50604031 CCN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1
BDBM50604032 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1
BDBM50604033 CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)cc1
BDBM50604034 Cc1cnc(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)nc1Nc1ccc2cn[nH]c2c1
BDBM50604035 COc1cc(ccc1Nc1ncc(C)c(Nc2ccc3cn[nH]c3c2)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50604036 CCN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cn[nH]c4c3)n2)c(OC)c1
BDBM50604037 COc1cc(ccc1Nc1ncc(C)c(Nc2ccc3cn[nH]c3c2)n1)N1CCN(C)CC1
BDBM50604038 Cc1cnc(Nc2ccc(cc2)N2CCC(F)(F)CC2)nc1Nc1ccc2cn[nH]c2c1
BDBM50604039 Cc1cnc(Nc2ccc(cc2)N2CCNCC2)nc1Nc1ccc2cn[nH]c2c1
BDBM50605384 Cc1cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br |r|
BDBM603894 CC(NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1
BDBM603898 CCc1ccc(cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1)C(C)NC(=O)c1cccc(c1)C(F)(F)F
BDBM603901 FC(F)(F)c1cccc(NC(=O)c2ccc(C3CC3)c(c2)-c2ccc3nc(Nc4cnn(c4)C4CC4)ncc3c2)c1
BDBM603902 CC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
BDBM603904 CCC(NC(=O)c1ccc(C2CC2)c(c1)-c1ccc2nc(Nc3cnn(c3)C3CC3)ncc2c1)c1cccc(c1)C(F)(F)F
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM621802 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4cnn(C)c4c3)n2)cc1
BDBM621973 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4c(C)n[nH]c4c3)n2)cc1
CHEMBL5274267 C[C@@H](Nc1nc(C)nc2n(C)c(=O)c(cc12)C1CCN(CC1)C(C)=O)c1cc(N)cc(c1)C(F)(F)F |r|