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2864 SMILES Strings for Interleukin-1 receptor-associated kinase 4

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM211109 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cc2F)cc1NC1CCCOC1 |r|
BDBM210402 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCC(F)(F)C1 |r|
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM81375 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
BDBM81376 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
BDBM93207 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1
BDBM104065 CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM283884 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCCC1O |r|
BDBM278711 Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CC3CCC2CN3)c(n1)C(F)(F)F
BDBM278752 Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3C[C@H](C2)N3)c(n1)C(F)F |r|
BDBM283862 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1N[C@H]1CCC[C@@H]1F |r|
BDBM283809 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1NCC(F)(F)F |r|
BDBM283917 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(F)cc2F)cc1NC1CCCOC1 |r|
BDBM283865 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCC(F)C1 |r|
BDBM283878 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CCCC1F |r|
BDBM283890 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2F)C#N)cc1NC1CCC(F)C1 |r|
BDBM283864 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cn2)C#N)cc1NC1CCC(F)C1 |r|
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
BDBM206112 NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50175196 COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)|
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50184689 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CC=C
BDBM50184690 OCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184691 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccncc2[nH]1
BDBM50184692 CCOC(=O)CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184693 OCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184694 CCCCn1c(NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12
BDBM50184695 CCOC(=O)Cn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184696 COCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184697 CCCS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
BDBM50184698 CCCCn1c(NC(=O)c2ccc(OC)cc2)nc2ccccc12
BDBM50184699 Cc1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
BDBM50184700 COC(=O)c1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
BDBM50184701 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
BDBM50184702 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1C1CCOC1=O
BDBM50184703 O=C(Nc1nc2ccccc2[nH]1)c1cccc(c1)C#N
BDBM50184704 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCC1CCC1
BDBM50184705 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CC1CCCO1
BDBM50184706 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1
BDBM50184707 CC(C)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184708 [O-][N+](=O)c1cc(ccc1F)C(=O)Nc1nc2ccccc2[nH]1
BDBM50184709 CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184710 CCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184711 CCCCn1c(NC(=O)c2cccc(Cl)c2)nc2ccccc12
BDBM50184712 Cc1cc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2cc1C
BDBM50184713 CN(C)CCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184714 COc1ccc2nc(NC(=O)c3cccc(c3)[N+]([O-])=O)[nH]c2c1
BDBM50184715 CCN(CC)CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184716 Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1nc2ccccc2[nH]1
BDBM50184717 CCCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184718 CCOCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184719 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccc(F)cc2[nH]1
BDBM50184720 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(F)c(F)cc2[nH]1
BDBM50184721 [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccc(Cl)cc2[nH]1
BDBM50184722 OC(=O)CCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
BDBM50184723 [O-][N+](=O)c1cccc(c1)C(=O)N(CC=C)c1nc2ccccc2n1CC=C
BDBM50184724 CN(C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2ccccc2n1C1CCOC1=O
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50240093 C1CC(CCN1)Nc1nccc(n1)-c1cnc2ccccn12
BDBM50240127 C1CC(CCN1)Nc1cccc(n1)-n1cnc2ccccc12
BDBM50240128 C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccccn12
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50258424 O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
BDBM50258287 FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50271602 C1CC(CCN1)Nc1cccc(n1)-c1n[nH]c2ccccc12
BDBM50271603 C1CC(CCN1)Nc1cccc(n1)-c1cncc2ccccc12
BDBM50271562 C1CC(CCN1)Oc1nccc(n1)-c1cnc2ccccn12
BDBM50271563 CN(C1CCCCC1)c1nccc(n1)-c1cnc2ccccn12
BDBM50271524 CNC(=O)CN1CCC(CC1)Nc1nccc(n1)-c1cnc2ccccn12
BDBM50271525 CN(C1CCNCC1)c1nccc(n1)-c1cnc2ccccn12
BDBM210408 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCC(F)C1 |r|
BDBM210400 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCC1F |r|
BDBM210133 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCCC1F |r|
BDBM209424 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCC1F |r|
BDBM209990 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCOCC1F |r|
BDBM207864 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC(O)C1 |r|
BDBM207997 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCOC1 |r|
BDBM210292 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC(F)C1 |r|
BDBM210143 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC(F)C1 |r|
BDBM209420 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCC1O |r|
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM188735 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(=O)CC1
BDBM188737 [#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(-[#7]-[#6](=O)-c2cnn3cccnc23)n(n1)-c1ccc(-[#6])cc1
BDBM188736 [#6]-c1ccc(cc1)-n1nc(cc1-[#7]-[#6](=O)-c1cnn2cccnc12)-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]
BDBM188738 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNC(=O)CC1
BDBM188739 CN(C)C1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |w:3.2,(-2.18,-7.14,;-.69,-6.74,;.4,-7.83,;-.29,-5.25,;-1.38,-4.16,;-.98,-2.68,;.51,-2.28,;1.6,-3.37,;1.2,-4.85,;.91,-.79,;0,.46,;.91,1.7,;.14,3.04,;-1.4,3.04,;-2.17,1.7,;-2.17,4.37,;-1.7,5.83,;-2.94,6.74,;-4.19,5.83,;-5.7,6.15,;-6.73,5.01,;-6.25,3.55,;-4.74,3.23,;-3.71,4.37,;2.37,1.23,;2.37,-.31,;3.46,2.32,;4.95,1.92,;6.04,3.01,;5.64,4.49,;6.73,5.58,;4.15,4.89,;3.06,3.8,)|
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50313050 COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
BDBM50313051 COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
BDBM50313061 COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50341519 CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50329197 C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
BDBM50329198 CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO
BDBM50335179 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1
BDBM50335188 Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
BDBM50348621 CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
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
BDBM50355464 COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
BDBM50355465 COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
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|
BDBM50355467 COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
BDBM50355468 Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
BDBM50355469 Nc1nc(Nc2ccccc2Cl)nn1-c1ccc(cn1)C#N
BDBM50355470 COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
BDBM50355479 COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50355466 Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
BDBM50362169 Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
BDBM50373439 O=C(Nc1ccccc1)c1csc(n1)-c1cccnc1
BDBM50373414 Clc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373415 COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1
BDBM50373416 COc1cc(ccc1NC(=O)c1cccc(n1)-c1cnn(C)c1)N1CCN(C)CC1
BDBM50373417 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1ccccc1Cl
BDBM50373418 Clc1ccccc1NC(=O)c1cccc(n1)-c1cn[nH]c1
BDBM50373419 Clc1ccccc1NC(=O)c1cccc(n1)-c1cc[nH]n1
BDBM50373420 Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccccc1Cl
BDBM50373421 Clc1ccccc1NC(=O)c1cccc(n1)-c1cncnc1
BDBM50373422 Clc1ccccc1NC(=O)c1cccc(n1)-c1cncs1
BDBM50373423 Clc1ccccc1NC(=O)c1cccc(n1)-c1cccnc1
BDBM50373424 COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCN(C)CC1
BDBM50373425 COc1cc(ccc1NC(=O)c1csc(n1)-c1cccnc1)N1CCOCC1
BDBM50373426 COc1ccc(NC(=O)c2csc(n2)-c2cccnc2)c(OC)c1
BDBM50373427 Cc1cccc(C)c1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373428 Clc1cccc(Cl)c1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373429 O=C(Nc1ccc(cc1)N1CCOCC1)c1csc(n1)-c1cccnc1
BDBM50373430 CN1CCN(CC1)c1ccc(NC(=O)c2csc(n2)-c2cccnc2)cc1
BDBM50373431 O=C(Nc1ccc(cc1)N1CCCCC1)c1csc(n1)-c1cccnc1
BDBM50373432 COc1ccc(NC(=O)c2csc(n2)-c2cccnc2)cc1
BDBM50373433 COc1cccc(NC(=O)c2csc(n2)-c2cccnc2)c1
BDBM50373434 Cc1cccc(NC(=O)c2csc(n2)-c2cccnc2)c1
BDBM50373435 FC(F)Oc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373436 COc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373437 CC(C)c1ccccc1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373438 Cc1ccccc1NC(=O)c1csc(n1)-c1cccnc1
BDBM50373440 [O-][n+]1cccc(c1)-c1nc(cs1)C(=O)Nc1ccccc1Cl
BDBM50381995 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1
BDBM50381996 Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1
BDBM50381997 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1
BDBM50381998 CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1
BDBM210256 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCC1F |r|
BDBM50377152 C1NCC1Nc1cccc(n1)-c1cnc2ccccn12
BDBM50377155 NCCCNc1cccc(n1)-c1cnc2ccccn12
BDBM50377150 C1CNC[C@H](C1)Nc1cccc(n1)-c1cnc2ccccn12
BDBM50377151 C1CC(CN1)Nc1cccc(n1)-c1cnc2ccccn12 |w:2.5|
BDBM50377153 C(Nc1cccc(n1)-c1cnc2ccccn12)C1CCNCC1
BDBM50377154 C1C[C@@H]2CC(C[C@H]1N2)Nc1cccc(n1)-c1cnc2ccccn12 |w:4.9,TEB:8:4:7:0.1|
BDBM50377156 CN(C)CCCNc1cccc(n1)-c1cnc2ccccn12
BDBM50377157 Cn1cnc(CNc2cccc(n2)-c2cnc3ccccn23)c1
BDBM50377158 Cn1nccc1Nc1cccc(n1)-c1cnc2ccccn12
BDBM50377159 N#Cc1ccccc1Nc1cccc(n1)-c1cnc2ccccn12
BDBM50377160 N(c1ccccc1)c1cccc(n1)-c1cnc2ccccn12
BDBM50377161 CN(C)C(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377162 O=C(N1CCOCC1)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377163 NC(=O)c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377164 C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1ccc[nH]1
BDBM50377165 C1CC(CCN1)Nc1cccc(n1)-c1cnc2ccc(cn12)-c1cc[nH]n1
BDBM50377166 Cn1cc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377167 COc1ccc(cn1)-c1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377168 N#Cc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377169 COc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377170 Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
BDBM50377171 Cc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
BDBM50377172 Cc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
BDBM50377173 Clc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1Cl
BDBM50377174 Clc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
BDBM50377175 Clc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
BDBM50377176 COc1cc2ncn(-c3cccc(NC4CCNCC4)n3)c2cc1OC
BDBM50377177 COc1ccc2n(cnc2c1)-c1cccc(NC2CCNCC2)n1
BDBM50377178 COc1ccc2ncn(-c3cccc(NC4CCNCC4)n3)c2c1
BDBM50377179 Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1 |w:14.13|
BDBM50377180 Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 |w:14.13|
BDBM50377181 Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
BDBM50377182 N#Cc1ccc2ncc(-c3cccc(N[C@@H]4CCCNC4)n3)n2c1
BDBM50377183 C1CNCCN(C1)c1cccc(n1)-c1cnc2ccccn12
BDBM50377184 NC1CCCN(C1)c1cccc(n1)-c1cnc2ccccn12 |w:1.0|
BDBM50377185 NC1CCN(CC1)c1cccc(n1)-c1cnc2ccccn12
BDBM50377186 COc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1
BDBM50377187 C1N[C@@H]2C[C@H]1N(C2)c1cccc(n1)-c1cnc2ccccn12 |THB:7:5:3:0.1|
BDBM50377188 C(Nc1cccc(n1)-c1cnc2ccccn12)C1CCCN1 |w:17.19|
BDBM50377189 CN1[C@H]2CC[C@@H]1CC(C2)Nc1cccc(n1)-c1cnc2ccccn12 |w:7.10,TEB:9:7:1:3.4|
BDBM50380246 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
BDBM50389320 CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
BDBM50389241 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM283952 CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC1CC[C@@H](CC1)C(C)(O)C1CC1 |r,wD:26.31,(2.77,3.47,;2.77,1.93,;4.1,1.15,;1.44,1.15,;1.44,-.38,;2.77,-1.15,;2.77,-2.69,;4.1,-3.47,;5.44,-2.69,;6.77,-3.47,;8.11,-2.69,;8.11,-1.15,;6.77,-.38,;5.44,-1.15,;4.1,-.38,;9.44,-.38,;10.77,-1.15,;1.44,-3.47,;.1,-2.69,;.1,-1.15,;-1.23,-.38,;-1.23,1.15,;-2.56,-1.15,;-3.9,-.38,;-5.23,-1.15,;-6.57,-.38,;-6.57,1.15,;-5.23,1.93,;-3.9,1.15,;-7.9,1.93,;-9.23,2.69,;-7.9,3.47,;-9.23,1.15,;-10.77,1.15,;-10,-.18,)|
BDBM283823 CC(C)Nc1cc(Nc2ncc(cc2F)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM283967 CC(F)[C@@H](C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210549 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCCOC1 |r|
BDBM210472 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCOC1 |r|
BDBM210525 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1F |r|
BDBM210270 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1N[C@@H]1CCCC1F |r|
BDBM210162 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCC(F)(F)C1 |r|
BDBM210061 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC(F)(F)C1 |r|
BDBM210074 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC(F)C1 |r|
BDBM210064 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCCC1F |r|
BDBM210085 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCOCC1F |r|
BDBM50402020 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
BDBM50433476 COc1ccc2CN(C(=O)c2c1)c1nc(cs1)C(=O)Nc1cnccc1N1CCNCC1
BDBM50433761 N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
BDBM50442139 CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|
BDBM50434485 Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
BDBM50012060 Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
BDBM50067513 OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067514 Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
BDBM50067517 CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067518 Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067531 NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
BDBM50067533 [H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|
BDBM50067534 Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|
BDBM50067537 [H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|
BDBM50067538 Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067540 CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
BDBM50040793 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1 |r|
BDBM50067541 Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|
BDBM50067542 OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|
BDBM50067535 CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50068403 CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068404 Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C(F)(F)F |r|
BDBM50068406 CCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
BDBM50068407 Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
BDBM50068417 Nc1ncc(c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1)-c1ccccn1 |r|
BDBM50068460 Cn1c(nc2ccccc12)-c1cnc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50068461 Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068462 Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068463 Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068464 Nc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068465 Nc1ncc(c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1)-c1ccc2ccccc2n1 |r|
BDBM50068467 Nc1ncc(-c2nc(cs2)-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068539 OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50068408 Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068409 COc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
BDBM50068410 Nc1nc(N)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068411 Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C#N |r|
BDBM50068412 Nc1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068413 CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1 |r|
BDBM50068414 CCCNc1nc(C)c(-c2nc3ccccc3s2)c(n1)N1CCOCC1
BDBM50068416 Nc1ncc(-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068468 Nc1ncc(-c2ncc(s2)-c2ccccc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068474 COCCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068476 OC[C@H]1C[C@@H](Nc2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50068535 OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50068536 OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50068537 Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM50068538 Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
BDBM50040728 NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
BDBM50040734 CN(C)C(=O)Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
BDBM50040744 OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
BDBM50040788 Cl.Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
BDBM50068402 CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2CC[C@@H](O)[C@H]2O)n1 |r|
BDBM50068405 Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C1CC1 |r|
BDBM50068415 Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 |r|
BDBM50068418 Nc1ncc(-c2nc3ccccc3o2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068466 Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068472 CCCNc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50068483 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50068534 OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50068540 Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
BDBM50040789 Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(sc2c1)N1CCOCC1
BDBM50040794 CC(C)Nc1cc(Nc2ncc(cn2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM50040798 CC(C)Nc1cc(Nc2ncc(cc2Cl)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM50040809 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCC1
BDBM50040866 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCCC1
BDBM50040867 Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
BDBM50040868 N[C@H]1CCCC[C@H]1Nc1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM50040870 F[C@H]1CCNC[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM187520 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(F)(F)C1O)-n1ccc2cc(cnc12)C#N |r|
BDBM187945 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(C1)NCC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
BDBM187406 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187912 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1COC[C@H]1O)-n1ccc2cc(cnc12)C#N |r|
BDBM188111 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(cnc12)C#N |r|
BDBM187413 CC(C)Nc1cc(ncc1C(=O)NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N
BDBM189019 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc3CNC(=O)c3c2)C1
BDBM189020 CN(C)c1ncc(CN2CCCC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)s1
BDBM189021 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccn[nH]2)C1
BDBM189022 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cscn2)C1
BDBM189023 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ncco2)C1
BDBM188901 Cc1ccc(cn1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188933 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)S(C)(=O)=O
BDBM187951 CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-n1ccc2cc(cnc12)C#N
BDBM187713 CC(C)Nc1cc(ncc1C(=O)NCCC(C)NS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187563 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187447 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187681 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(O)C(C)C)-n1ncc2cc(cnc12)C#N |r|
BDBM187881 CC(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM188940 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCOCC1
BDBM188941 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188942 CC(C)C(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188943 CCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188944 CCCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188945 COCC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188946 CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)c1ncccc1F
BDBM188947 CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)C(=O)N1CCCCC1
BDBM188948 CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)C(=O)N1CCCC1
BDBM188949 CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)c1cccc(F)n1
BDBM188950 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCN(CC1)C1CC1
BDBM189024 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cccnc2F)C1
BDBM189025 COc1ncc(CN2CCCC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
BDBM189026 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc(F)cn2)C1
BDBM189027 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc(cc2)C2(COC2)C#N)C1
BDBM189028 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cn[nH]c2)C1
BDBM189029 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cccc3C(=O)NCc23)C1
BDBM188740 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(O)CC1 |(6.33,5.23,;5.24,4.14,;5.64,2.65,;4.55,1.56,;3.06,1.96,;2.66,3.45,;3.75,4.54,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;-1.09,-7.09,;.8,-5.21,;1.2,-3.72,)|
BDBM188938 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCCC1
BDBM188951 CC(N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)c1nccs1
BDBM188952 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccccc2)CC1
BDBM188953 CC(C)CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188954 CCCN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188955 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CC2)CC1
BDBM188956 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2nccs2)CC1
BDBM188957 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccsc2)CC1
BDBM189030 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccc(cc2)S(C)(=O)=O)C1
BDBM189031 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(CC2CC2)C1
BDBM189032 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2nccs2)C1
BDBM189033 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccncc2)C1
BDBM189034 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cccnc2)C1
BDBM189035 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2ccccn2)C1
BDBM50030881 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
BDBM188958 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccncc2)CC1
BDBM188959 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cccnc2)CC1
BDBM188960 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccccn2)CC1
BDBM188961 COc1ccc(CN2CCC(CC2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
BDBM188962 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CCOC2)CC1
BDBM188963 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cncs2)CC1
BDBM189036 COc1ccc(CN2CCCC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
BDBM189037 CCn1nccc1CN1CCCC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM60810 COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(CO)C1)-n1ccc2cc(cnc12)C#N |r|
BDBM50095464 Cn1cc(NC(=O)c2cnn3ccc(OCCN)nc23)c(n1)C(N)=O
BDBM50095470 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
BDBM50095472 COCc1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|
BDBM50095475 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r|
BDBM50095480 Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(n1)C(F)(F)F
BDBM188964 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ccn[nH]2)CC1
BDBM188965 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cscn2)CC1
BDBM188966 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2ncco2)CC1
BDBM188967 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(Cc2cn[nH]c2)CC1
BDBM188968 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CNC1
BDBM188969 CC(C)NC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM50095506 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
BDBM188970 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)C(=O)NC(C)(C)C
BDBM188971 CCNC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188972 COC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188973 CCOC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188974 CC(C)OC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188975 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)C(=O)OCCF
BDBM188773 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCC1
BDBM188887 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188753 FC(F)(F)Oc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188976 COCCOC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188977 CCS(=O)(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188978 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)S(C)(=O)=O
BDBM188979 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)S(=O)(=O)C1CC1
BDBM188980 CC(C)S(=O)(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188981 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)S(=O)(=O)CF
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM188982 CC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188983 CCC(=O)N1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188984 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C(F)(F)F |(8.34,2.55,;6.85,2.15,;6.45,.66,;4.97,.26,;3.88,1.35,;4.27,2.84,;5.76,3.24,;2.39,.95,;1.91,-.51,;.37,-.51,;-.1,.95,;1.14,1.86,;1.14,3.4,;-.19,4.17,;-1.52,3.4,;-.19,5.71,;1.06,6.61,;.58,8.08,;-.96,8.08,;-1.99,9.22,;-3.5,8.9,;-3.97,7.44,;-2.94,6.29,;-1.44,6.61,;-.72,-1.6,;-2.2,-1.2,;-3.29,-2.29,;-2.89,-3.78,;-1.41,-4.18,;-.32,-3.09,;-3.98,-4.87,;-5.47,-4.47,;-6.56,-5.56,;-6.16,-7.04,;-4.67,-7.44,;-3.58,-6.35,;-7.25,-8.13,;-8.34,-9.22,;-8.34,-7.04,;-6.16,-9.22,)|
BDBM188985 CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1)S(C)(=O)=O |(-5.91,-9.42,;-6.31,-7.93,;-5.22,-6.85,;-5.62,-5.36,;-4.53,-4.27,;-3.04,-4.67,;-2.64,-6.16,;-3.73,-7.24,;-1.95,-3.58,;-2.35,-2.09,;-1.26,-1,;.23,-1.4,;.63,-2.89,;-.46,-3.98,;1.32,-.31,;.84,1.15,;2.09,2.06,;2.09,3.6,;.75,4.37,;-.58,3.6,;.75,5.91,;2,6.81,;1.52,8.28,;-.02,8.28,;-1.05,9.42,;-2.55,9.1,;-3.03,7.64,;-2,6.49,;-.49,6.81,;3.33,1.15,;2.86,-.31,;4.82,1.55,;5.91,.46,;7.4,.86,;7.79,2.35,;9.28,2.75,;6.71,3.44,;5.22,3.04,;-7.79,-7.54,;-8.19,-9.02,;-9.28,-7.14,;-7.4,-6.05,)|
BDBM188986 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)NS(C)(=O)=O |(9.28,2.55,;7.79,2.15,;7.4,.66,;5.91,.26,;4.82,1.35,;5.22,2.84,;6.71,3.24,;3.33,.95,;2.86,-.51,;1.32,-.51,;.84,.95,;2.09,1.86,;2.09,3.4,;.75,4.17,;-.58,3.4,;.75,5.71,;2,6.61,;1.52,8.08,;-.02,8.08,;-1.05,9.22,;-2.55,8.9,;-3.03,7.44,;-2,6.29,;-.49,6.61,;.23,-1.6,;-1.26,-1.2,;-2.35,-2.29,;-1.95,-3.78,;-.46,-4.18,;.63,-3.09,;-3.04,-4.87,;-4.53,-4.47,;-5.62,-5.56,;-5.22,-7.04,;-3.73,-7.44,;-2.64,-6.35,;-6.31,-8.13,;-7.79,-7.74,;-8.19,-9.22,;-9.28,-7.34,;-7.4,-6.25,)|
BDBM188987 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C#N |(8.54,2,;7.05,1.6,;6.65,.12,;5.16,-.28,;4.08,.81,;4.47,2.3,;5.96,2.69,;2.59,.41,;2.11,-1.06,;.57,-1.06,;.1,.41,;1.34,1.31,;1.34,2.85,;.01,3.62,;-1.33,2.85,;.01,5.16,;1.25,6.07,;.78,7.53,;-.76,7.53,;-1.79,8.68,;-3.3,8.36,;-3.77,6.89,;-2.74,5.75,;-1.24,6.07,;-.52,-2.14,;-2,-1.75,;-3.09,-2.84,;-2.69,-4.32,;-1.21,-4.72,;-.12,-3.63,;-3.78,-5.41,;-5.27,-5.01,;-6.36,-6.1,;-5.96,-7.59,;-4.47,-7.99,;-3.39,-6.9,;-7.05,-8.68,;-8.54,-8.28,)|
BDBM188988 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC2CC12
BDBM188989 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC2(CCC(=O)N2)CC1 |(9.2,2.47,;7.72,2.07,;7.32,.58,;5.83,.18,;4.74,1.27,;5.14,2.76,;6.63,3.16,;3.25,.87,;2.78,-.59,;1.24,-.59,;.76,.87,;2.01,1.78,;2.01,3.32,;.67,4.09,;-.66,3.32,;.67,5.63,;1.92,6.53,;1.44,8,;-.1,8,;-1.13,9.14,;-2.63,8.82,;-3.11,7.36,;-2.08,6.21,;-.57,6.53,;.15,-1.68,;-1.34,-1.28,;-2.43,-2.37,;-2.03,-3.86,;-.54,-4.26,;.55,-3.17,;-3.12,-4.95,;-4.6,-4.55,;-5.69,-5.64,;-5.29,-7.13,;-5.29,-8.67,;-6.76,-9.14,;-7.66,-7.9,;-9.2,-7.9,;-6.76,-6.65,;-3.81,-7.52,;-2.72,-6.44,)|
BDBM188990 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC(C1)C(C)(C)C |(8.02,2.23,;6.53,1.83,;6.13,.34,;4.65,-.06,;3.56,1.03,;3.96,2.52,;5.44,2.92,;2.07,.63,;1.59,-.83,;.05,-.83,;-.42,.63,;.82,1.54,;.82,3.08,;-.51,3.85,;-1.84,3.08,;-.51,5.39,;.74,6.29,;.26,7.76,;-1.28,7.76,;-2.31,8.9,;-3.82,8.58,;-4.29,7.12,;-3.26,5.97,;-1.76,6.29,;-1.04,-1.92,;-2.52,-1.52,;-3.61,-2.61,;-3.21,-4.1,;-1.73,-4.5,;-.64,-3.41,;-4.3,-5.19,;-5.84,-5.19,;-5.84,-6.73,;-4.3,-6.73,;-6.93,-7.81,;-8.02,-8.9,;-8.02,-6.73,;-5.84,-8.9,)|
BDBM188991 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC2(C1)CCCC2
BDBM188992 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC(C1)C#N |(8.22,1.68,;6.73,1.29,;6.33,-.2,;4.85,-.6,;3.76,.49,;4.16,1.98,;5.64,2.37,;2.27,.09,;1.79,-1.37,;.25,-1.37,;-.22,.09,;1.02,1,;1.02,2.54,;-.31,3.31,;-1.64,2.54,;-.31,4.85,;.94,5.75,;.46,7.22,;-1.08,7.22,;-2.11,8.36,;-3.62,8.04,;-4.09,6.57,;-3.06,5.43,;-1.56,5.75,;-.84,-2.46,;-2.32,-2.07,;-3.41,-3.15,;-3.01,-4.64,;-1.53,-5.04,;-.44,-3.95,;-4.1,-5.73,;-5.64,-5.73,;-5.64,-7.27,;-4.1,-7.27,;-6.73,-8.36,;-8.22,-7.96,)|
BDBM188993 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(F)(F)CC1
BDBM188994 CC(CC(F)(F)F)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188995 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CN(C1)C(=O)OC(C)(C)C
BDBM188996 CN(C1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1)S(C)(=O)=O |(-8.54,-6.79,;-7.05,-7.19,;-5.96,-6.1,;-6.36,-4.61,;-5.27,-3.53,;-3.78,-3.92,;-3.39,-5.41,;-4.47,-6.5,;-2.69,-2.84,;-3.09,-1.35,;-2,-.26,;-.52,-.66,;-.12,-2.14,;-1.21,-3.23,;.57,.43,;.1,1.9,;1.34,2.8,;1.34,4.34,;.01,5.11,;-1.33,4.34,;.01,6.65,;1.25,7.56,;.78,9.02,;-.76,9.02,;-1.79,10.17,;-3.3,9.85,;-3.77,8.38,;-2.74,7.24,;-1.24,7.56,;2.59,1.9,;2.11,.43,;4.08,2.3,;5.16,1.21,;6.65,1.6,;7.05,3.09,;8.54,3.49,;5.96,4.18,;4.47,3.78,;-6.65,-8.68,;-5.16,-8.28,;-6.25,-10.17,;-8.14,-9.08,)|
BDBM188997 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)NS(C)(=O)=O |(8.34,3.49,;6.85,3.09,;6.45,1.6,;4.97,1.21,;3.88,2.3,;4.27,3.78,;5.76,4.18,;2.39,1.9,;1.91,.43,;.37,.43,;-.1,1.9,;1.14,2.8,;1.14,4.34,;-.19,5.11,;-1.52,4.34,;-.19,6.65,;1.06,7.56,;.58,9.02,;-.96,9.02,;-1.99,10.17,;-3.5,9.85,;-3.97,8.38,;-2.94,7.24,;-1.44,7.56,;-.72,-.66,;-2.2,-.26,;-3.29,-1.35,;-2.89,-2.84,;-1.41,-3.23,;-.32,-2.14,;-3.98,-3.92,;-5.47,-3.53,;-6.56,-4.61,;-6.16,-6.1,;-4.67,-6.5,;-3.58,-5.41,;-7.25,-7.19,;-6.85,-8.68,;-5.36,-8.28,;-6.45,-10.17,;-8.34,-9.08,)|
BDBM188998 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCCOC1
BDBM188999 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C#N |(7.79,2.75,;6.31,2.35,;5.91,.86,;4.42,.46,;3.33,1.55,;3.73,3.04,;5.22,3.44,;1.84,1.15,;1.37,-.31,;-.17,-.31,;-.65,1.15,;.6,2.06,;.6,3.6,;-.74,4.37,;-2.07,3.6,;-.74,5.91,;.51,6.81,;.03,8.28,;-1.51,8.28,;-2.54,9.42,;-4.04,9.1,;-4.52,7.64,;-3.49,6.49,;-1.98,6.81,;-1.26,-1.4,;-2.75,-1,;-3.84,-2.09,;-3.44,-3.58,;-1.95,-3.98,;-.86,-2.89,;-4.53,-4.67,;-6.01,-4.27,;-7.1,-5.36,;-6.71,-6.85,;-5.22,-7.24,;-4.13,-6.16,;-7.79,-7.93,;-7.4,-9.42,)|
BDBM189000 Fc1ccc(cc1)N1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccn1
BDBM189001 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCN(CC1)C1CC1
BDBM189002 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCc2ccncc2C1
BDBM189003 CN(C)C1CC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |(-5.39,-9.44,;-6.16,-8.11,;-7.7,-8.11,;-5.39,-6.78,;-5.79,-5.29,;-4.3,-4.89,;-3.9,-6.38,;-3.53,-3.56,;-3.93,-2.07,;-2.84,-.98,;-1.35,-1.38,;-.96,-2.87,;-2.04,-3.96,;-.27,-.29,;-.74,1.17,;.5,2.08,;.5,3.62,;-.83,4.39,;-2.16,3.62,;-.83,5.93,;.42,6.83,;-.06,8.3,;-1.6,8.3,;-2.63,9.44,;-4.14,9.12,;-4.61,7.66,;-3.58,6.51,;-2.07,6.83,;1.75,1.17,;1.27,-.29,;3.24,1.57,;4.33,.48,;5.81,.88,;6.21,2.37,;7.7,2.77,;5.12,3.46,;3.64,3.06,)|
BDBM189004 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189005 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)C(F)(F)F |(8.34,2.55,;6.85,2.15,;6.45,.66,;4.97,.26,;3.88,1.35,;4.27,2.84,;5.76,3.24,;2.39,.95,;1.91,-.51,;.37,-.51,;-.1,.95,;1.14,1.86,;1.14,3.4,;-.19,4.17,;-1.52,3.4,;-.19,5.71,;1.06,6.61,;.58,8.08,;-.96,8.08,;-1.99,9.22,;-3.5,8.9,;-3.97,7.44,;-2.94,6.29,;-1.44,6.61,;-.72,-1.6,;-2.2,-1.2,;-3.29,-2.29,;-2.89,-3.78,;-1.41,-4.18,;-.32,-3.09,;-3.98,-4.87,;-5.47,-4.47,;-6.56,-5.56,;-6.16,-7.04,;-4.67,-7.44,;-3.58,-6.35,;-7.25,-8.13,;-8.34,-9.22,;-8.34,-7.04,;-6.16,-9.22,)|
BDBM189006 CC1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM188937 CC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188939 CN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189007 C[C@@H]1CCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |r|
BDBM189008 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
BDBM189009 CN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189010 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189011 CC1CCCC(C1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189012 CC(C)CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189013 CCN1CCC(CC1)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189014 CCCN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189015 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC2CC2)CC1
BDBM189016 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1Cc2ccccc2C1
BDBM189017 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(CC2CCOC2)C1
BDBM189018 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(Cc2cncs2)C1
BDBM188741 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188742 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM188743 Clc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188744 Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188745 FC(F)(F)c1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188746 O=C(Nc1cc(nn1-c1ccc(cc1)C#N)C1CCNCC1)c1cnn2cccnc12
BDBM188747 FC(F)(F)Oc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188748 Cc1ccccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188749 Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188083 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)(F)C1)-n1ncc2cc(cnc12)C#N |r|
BDBM187575 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187515 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ccc2cc(cnc12)C#N |r|
BDBM188750 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188751 Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188752 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188754 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1
BDBM188755 Cc1cccc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188094 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r|
BDBM188087 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(F)cnc12 |r|
BDBM188756 Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188757 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C(C)C
BDBM188758 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188759 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CCCC1
BDBM188760 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188762 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
BDBM188763 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(Cl)cc1F
BDBM188764 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C(F)(F)F
BDBM188765 CC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188766 COC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(OC)cc1
BDBM188767 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(=O)C1CC1
BDBM188768 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
BDBM187947 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(N)C1)-n1ccc2cc(cnc12)C#N |r|
BDBM188107 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(N)C1)-n1ncc2cc(cnc12)C#N |r|
BDBM188769 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(N)=O
BDBM188770 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188771 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188772 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
BDBM188774 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CC1
BDBM188775 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC(F)(F)F)CC1
BDBM187423 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ccc2cc(cnc12)C#N |r|
BDBM188776 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCNC1
BDBM188777 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(C1)S(C)(=O)=O
BDBM188778 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCN(C1)S(=O)(=O)C1CC1
BDBM188779 Cc1ccc(cc1)-n1nc(CC2CCOCC2)cc1NC(=O)c1cnn2cccnc12
BDBM188780 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCOCC1
BDBM188781 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(C)C
BDBM188782 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1F
BDBM188078 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(O)C1)-n1ncc2cc(F)cnc12 |r|
BDBM188783 Fc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
BDBM188784 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(Cl)cc1F
BDBM188785 Fc1cc(Cl)ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
BDBM188786 O=C(Nc1cc(nn1-c1ccc(cc1)C1CC1)C1CCNCC1)c1cnn2cccnc12
BDBM188787 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1)C1CC1
BDBM188788 O=C(Nc1cc(nn1-c1ccc(cc1)C1CC1)C1CCN(CC1)S(=O)(=O)C1CC1)c1cnn2cccnc12
BDBM188789 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1)C1CC1
BDBM187578 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187941 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COCC1(F)F)-n1ccc2cc(cnc12)C#N |r|
BDBM187510 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1F)-n1ccc2cc(cnc12)C#N |r|
BDBM187992 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
BDBM188005 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187915 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1COC[C@H]1F)-n1ccc2cc(cnc12)C#N |r|
BDBM188114 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1C[C@H]1CO)-n1ncc2cc(Cl)cnc12 |r|
BDBM188790 Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188791 Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188792 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1F
BDBM188793 Cc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1
BDBM188794 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1F
BDBM188795 COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188796 COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C(C)C
BDBM187449 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)S(N)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM187551 CC(C)NC(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
BDBM188060 CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
BDBM187727 CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C(=O)C1CN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187901 CC(C)Nc1cc(ncc1C(=O)NC1CC[C@@H](CC1)C(C)(O)C1CC1)-n1ccc2cc(cnc12)C#N |r,wD:16.20,(1.67,3.68,;1.67,2.14,;3.01,1.37,;.34,1.37,;.34,-.17,;1.67,-.94,;1.67,-2.48,;.34,-3.25,;-.99,-2.48,;-.99,-.94,;-2.33,-.17,;-2.33,1.37,;-3.66,-.94,;-4.99,-.17,;-6.33,-.94,;-7.66,-.17,;-7.66,1.37,;-6.33,2.14,;-4.99,1.37,;-9,2.14,;-10.33,1.37,;-10.33,2.91,;-9,3.68,;-8.23,5.01,;-9.77,5.01,;3.01,-3.25,;3.25,-4.77,;4.77,-5.01,;5.47,-3.64,;6.96,-3.24,;7.35,-1.75,;6.27,-.67,;4.78,-1.06,;4.38,-2.55,;8.84,-1.36,;10.33,-.96,)|
BDBM187692 CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-n1ncc2cc(cnc12)C#N
BDBM188797 COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188798 COc1ccc(c(F)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188799 Cc1ccc(c(Cl)c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188800 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1Cl
BDBM188801 Fc1cc(F)cc(c1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188802 Cc1cc(F)ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188803 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(F)cc1C
BDBM188038 CC(O)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187687 CC(C)Nc1cc(ncc1C(=O)NCCC(C)O)-n1ncc2cc(cnc12)C#N
BDBM187414 CC(C)Nc1cc(ncc1C(=O)NCCCOC(C)(C)C)-n1ccc2cc(cnc12)C#N
BDBM188804 Fc1cc(Br)ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188805 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(Br)cc1F
BDBM188806 Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1)C1CC1
BDBM188807 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
BDBM188808 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
BDBM188809 Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC1)C1CC1
BDBM188810 Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC(F)(F)F)CC1)C1CC1
BDBM188811 Fc1cc(cc(F)c1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1)C1CC1 |(.43,3.1,;1.92,2.71,;3.01,3.79,;4.5,3.4,;4.89,1.91,;3.81,.82,;4.2,-.67,;2.32,1.22,;1.23,.13,;1.23,-1.41,;-.24,-1.89,;-1.14,-.64,;-.24,.61,;-.63,2.09,;-2.12,2.49,;-3.21,1.4,;-2.52,3.98,;-2.04,5.44,;-3.29,6.35,;-4.54,5.44,;-6.04,5.76,;-7.07,4.62,;-6.6,3.15,;-5.09,2.83,;-4.06,3.98,;-.63,-3.37,;-2.12,-3.77,;-2.52,-5.26,;-1.43,-6.35,;.06,-5.95,;.46,-4.46,;5.59,4.49,;7.07,4.88,;5.98,5.97,)|
BDBM188812 O=C(Nc1cc(nn1C1CCOCC1)C1CCNCC1)c1cnn2cccnc12
BDBM188813 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1COCCN1
BDBM188814 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNC1
BDBM188815 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(C1)S(C)(=O)=O
BDBM188816 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CNC1
BDBM188817 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)S(C)(=O)=O
BDBM188818 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)S(=O)(=O)C1CC1
BDBM188819 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)S(=O)(=O)C1CCCC1
BDBM188820 COCCS(=O)(=O)N1CC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188821 Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CNC1)C1CC1
BDBM188822 CC(C)N1CC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
BDBM188823 Fc1cc(ccc1-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(C1)C1CCC1)C1CC1
BDBM188824 CC(=O)c1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188825 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1(C)CCNCC1
BDBM188826 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1(C)CCN(CC1)S(C)(=O)=O
BDBM188827 CC1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |(-1.1,-6.57,;-.7,-5.09,;-1.78,-3.95,;-1.38,-2.46,;.11,-2.06,;1.2,-3.15,;.8,-4.64,;.51,-.57,;-.4,.67,;.51,1.92,;.11,3.41,;-1.38,3.81,;-2.47,2.72,;-1.78,5.29,;-1.3,6.76,;-2.55,7.66,;-3.79,6.76,;-5.3,7.08,;-6.33,5.93,;-5.85,4.47,;-4.35,4.15,;-3.32,5.29,;1.97,1.44,;1.97,-.1,;3.06,2.53,;4.55,2.13,;5.64,3.22,;5.24,4.71,;6.33,5.8,;3.75,5.11,;2.66,4.02,)|
BDBM188828 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCCCC1
BDBM188829 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(CC1)NC=O |(6.33,6.52,;5.24,5.43,;5.64,3.94,;4.55,2.85,;3.06,3.25,;2.66,4.74,;3.75,5.83,;1.97,2.16,;1.97,.62,;.51,.15,;-.4,1.39,;.51,2.64,;.11,4.12,;-1.38,4.52,;-2.47,3.43,;-1.78,6.01,;-1.3,7.48,;-2.55,8.38,;-3.79,7.48,;-5.3,7.8,;-6.33,6.65,;-5.85,5.19,;-4.35,4.87,;-3.32,6.01,;.11,-1.34,;-1.38,-1.74,;-1.78,-3.23,;-.7,-4.37,;.8,-3.92,;1.2,-2.43,;-1.1,-5.86,;-2.59,-6.26,;-2.99,-7.74,)|
BDBM188830 CN(C)C(=O)C1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |(-.4,-9.67,;0,-8.18,;1.54,-8.18,;-1.09,-7.09,;-2.57,-7.49,;-.69,-5.61,;-1.78,-4.52,;-1.38,-3.03,;.11,-2.63,;1.2,-3.72,;.8,-5.21,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;1.97,.87,;1.97,-.67,;3.06,1.96,;4.55,1.56,;5.64,2.65,;5.24,4.14,;6.33,5.23,;3.75,4.54,;2.66,3.45,)|
BDBM188831 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(CC1)C(F)(F)F |(6.33,5.23,;5.24,4.14,;5.64,2.65,;4.55,1.56,;3.06,1.96,;2.66,3.45,;3.75,4.54,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;.8,-5.21,;1.2,-3.72,;-1.09,-7.09,;-1.48,-8.58,;-2.57,-6.69,;.4,-7.49,)|
BDBM188832 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCS(=O)(=O)CC1
BDBM188833 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(NS(=O)=O)cc1
BDBM188834 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1F
BDBM188835 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
BDBM50045370 Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
BDBM50040726 CC(C)(C)C(=O)Oc1ccc2n(CCCO)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1
BDBM50040727 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCN
BDBM50040730 CC(=O)N1CCC[C@H](C1)n1cc(cn1)-c1cnc(nc1)-c1cccc(c1)-c1cnn(C)c1 |r|
BDBM50040731 Cn1cc(cn1)-c1cccc(c1)-c1ncc(cn1)-c1cnn(c1)[C@@H]1CCCN(C1)S(C)(=O)=O |r|
BDBM50040732 O=C1Nc2nc3ccccc3n2CCn2cc(cn2)-c2ccc(=O)n(Cc3cccc1c3)n2
BDBM50040733 Oc1ccc-2cc1Cn1c(NC(=O)c3cccc(Cn4nc-2ccc4=O)c3)nc2ccccc12
BDBM50040786 Cl.CN1CCN(CC1)c1cccc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
BDBM50040790 CNC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
BDBM50040791 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1 |r|
BDBM50040792 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(22.85,-1.69,;24.18,-2.47,;25.52,-1.7,;25.52,-.16,;26.85,-2.47,;28.19,-1.71,;29.51,-2.48,;29.51,-4.03,;28.18,-4.79,;26.85,-4.02,;30.84,-4.8,;32.18,-4.03,;32.18,-2.49,;33.51,-4.8,;33.51,-6.34,;34.84,-7.11,;36.18,-6.34,;37.51,-7.11,;38.85,-6.34,;38.84,-4.8,;40.16,-4.03,;41.5,-4.79,;42.97,-4.31,;43.88,-5.56,;42.98,-6.81,;41.5,-6.34,;40.18,-7.11,;36.17,-4.79,;34.84,-4.03,;34.83,-2.49,;36.17,-1.71,;37.51,-2.49,;38.83,-1.72,;38.84,-.18,;37.5,.59,;36.16,-.18,)|
BDBM50040795 CC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM50040796 CC(C)Nc1cc(Nc2ncc(cc2C)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM50040797 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(cc2Cl)C#N)cc1NC1CC1 |r|
BDBM50040799 CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)nc2[nH]ccc12 |r,wU:3.2,wD:6.9,(56.02,-20.97,;57.35,-21.74,;57.35,-23.28,;58.69,-20.98,;58.69,-19.44,;60.02,-18.68,;61.36,-19.45,;61.36,-20.98,;60.02,-21.75,;62.69,-18.68,;62.69,-17.14,;61.36,-16.37,;61.36,-14.83,;60.03,-14.06,;58.69,-14.83,;57.36,-14.05,;56.03,-14.82,;56.03,-16.36,;57.37,-17.13,;58.7,-16.36,;62.69,-14.06,;64.02,-14.82,;65.49,-14.34,;66.41,-15.59,;65.49,-16.84,;64.02,-16.37,)|
BDBM50040801 CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C#N)c12 |r,wU:3.2,wD:6.9,(29.49,-21.24,;30.82,-22.02,;30.82,-23.56,;32.16,-21.25,;32.17,-19.71,;33.5,-18.95,;34.83,-19.72,;34.83,-21.26,;33.49,-22.03,;36.17,-18.95,;36.17,-17.41,;34.83,-16.64,;34.83,-15.1,;36.16,-14.33,;37.5,-15.09,;38.97,-14.61,;39.88,-15.86,;38.97,-17.11,;39.46,-18.57,;39.94,-20.03,;37.5,-16.64,)|
BDBM50040802 CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccc(cc3c12)C(N)=O |r,wU:3.2,wD:6.9,(14.07,-21.04,;15.39,-21.82,;15.39,-23.35,;16.73,-21.05,;16.74,-19.52,;18.06,-18.75,;19.4,-19.52,;19.4,-21.06,;18.06,-21.83,;20.73,-18.75,;20.73,-17.22,;19.4,-16.45,;19.4,-14.91,;20.72,-14.14,;22.06,-14.9,;23.53,-14.42,;24.44,-15.67,;25.97,-15.82,;26.6,-17.23,;25.69,-18.49,;24.16,-18.32,;23.53,-16.91,;22.06,-16.45,;26.32,-19.89,;27.85,-20.05,;25.42,-21.14,)|
BDBM50040803 C1CN(CCO1)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccccc3c12 |r,wU:6.6,wD:9.13,(1.79,-21.14,;3.12,-20.38,;4.45,-21.16,;4.45,-22.69,;3.11,-23.45,;1.78,-22.67,;5.79,-20.4,;5.8,-18.86,;7.12,-18.1,;8.46,-18.87,;8.46,-20.41,;7.12,-21.17,;9.79,-18.1,;9.79,-16.56,;8.46,-15.8,;8.46,-14.25,;9.79,-13.48,;11.12,-14.25,;12.59,-13.77,;13.5,-15.01,;15.03,-15.17,;15.66,-16.58,;14.75,-17.83,;13.22,-17.67,;12.59,-16.26,;11.12,-15.8,)|
BDBM50040804 CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3ccccc3c12 |r,wU:3.2,wD:6.9,(53.46,-9.22,;54.79,-9.99,;54.79,-11.53,;56.12,-9.23,;56.13,-7.69,;57.46,-6.93,;58.79,-7.7,;58.79,-9.24,;57.46,-10,;60.13,-6.93,;60.12,-5.39,;58.79,-4.62,;58.8,-3.08,;60.12,-2.31,;61.45,-3.08,;62.93,-2.6,;63.84,-3.84,;65.37,-4,;66,-5.4,;65.09,-6.66,;63.55,-6.5,;62.93,-5.09,;61.45,-4.62,)|
BDBM50040805 NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:20.23,wD:17.16,6.5,3.3,(47.71,-11.7,;46.68,-10.55,;45.18,-10.87,;47.17,-9.09,;48.67,-8.78,;46.14,-7.95,;46.62,-6.48,;48.09,-6.01,;48.1,-4.47,;46.63,-3.99,;45.72,-2.74,;44.25,-3.22,;42.92,-2.45,;41.59,-3.22,;41.59,-4.77,;42.92,-5.54,;42.92,-7.07,;41.59,-7.84,;40.25,-7.07,;38.92,-7.84,;38.92,-9.37,;40.25,-10.15,;41.59,-9.38,;37.58,-10.14,;36.25,-9.35,;34.92,-10.11,;34.91,-11.65,;36.23,-12.43,;37.58,-11.66,;44.25,-4.77,;45.72,-5.23,)|
BDBM50040806 NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:18.21,wD:15.14,4.3,(33.74,-8.14,;32.23,-8.45,;31.75,-9.91,;31.21,-7.3,;31.69,-5.84,;33.16,-5.37,;33.17,-3.83,;31.7,-3.35,;30.79,-2.1,;29.32,-2.58,;27.99,-1.82,;26.66,-2.58,;26.66,-4.13,;27.99,-4.9,;27.99,-6.43,;26.66,-7.2,;25.33,-6.43,;24,-7.19,;23.99,-8.73,;25.32,-9.5,;26.66,-8.74,;22.66,-9.49,;21.33,-8.71,;20,-9.47,;19.98,-11,;21.31,-11.78,;22.65,-11.02,;29.32,-4.13,;30.79,-4.59,)|
BDBM50040856 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCOCC1
BDBM50040869 NCCNc1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM50040872 Cl.Cn1cc(NC(=O)c2coc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
BDBM50040873 Cl.NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(NCC(F)(F)F)c1)-c1cccnc1
BDBM50040874 Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1
BDBM187450 COc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)c1 |r|
BDBM187480 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM50067515 Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|
BDBM50067520 Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|
BDBM50067539 Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|
BDBM187936 CS(=O)(=O)NCCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N
BDBM187937 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCN1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187938 COC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187939 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187940 CC1COCCN1CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187589 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(O)cnc12 |r|
BDBM187885 CC(CCF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187420 CC(CCO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187466 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cccn1)-n1ccc2cc(cnc12)C#N |r|
BDBM187789 CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187411 CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N
BDBM187410 CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cc(cnc12)C#N
BDBM187467 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cncn1)-n1ccc2cc(cnc12)C#N |r|
BDBM187468 Cn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cc1 |r|
BDBM187469 CC(C)Nc1cc(ncc1C(=O)NCC(=O)NC1CCS(=O)(=O)C1)-n1ccc2cc(cnc12)C#N
BDBM187412 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(C3)C1)C2)-n1ccc2cc(cnc12)C#N |r,TLB:26:17:24:20.21.22,16:17:20:24.23.22,THB:25:17:20:24.23.22,25:23:20:17.26.18,26:21:24:17.25.18|
BDBM187415 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ccc2cc(cnc12)C#N |r|
BDBM187416 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187417 CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187418 CC(C)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187612 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cncnc12 |r|
BDBM187650 COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
BDBM187651 CC(C)Nc1cc(ncc1C(=O)NCCCN1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187419 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(C)COC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187422 CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187470 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(CO)c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187471 CC(F)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187472 CC(C)Nc1cc(ncc1C(=O)NC1CCc2nc(N)sc2C1)-n1ccc2cc(cnc12)C#N
BDBM187473 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cccnc12 |r|
BDBM187474 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187475 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
BDBM187476 CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187654 CC(C)Nc1cc(ncc1C(=O)NCCN1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187655 CC(CCF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187695 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCCN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
BDBM187696 COC1CCN(CC1)c1ccc(NC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cn1
BDBM187477 CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187478 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(ccc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;3.54,2.16,;2.21,4.47,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187481 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cncnc12 |r,wU:7.10,wD:4.3,(-9.6,2.93,;-8.27,2.16,;-6.93,2.93,;-6.93,4.47,;-5.6,2.16,;-5.6,.62,;-4.26,-.15,;-2.93,.62,;-2.93,2.16,;-4.26,2.93,;-1.6,-.15,;-.26,.62,;-.26,2.16,;1.07,-.15,;1.07,-1.69,;2.4,-2.46,;3.74,-1.69,;3.74,-.15,;2.4,.62,;2.4,2.16,;3.74,2.93,;3.74,4.47,;5.07,2.16,;5.07,-2.46,;5.07,-4,;6.54,-4.47,;7.44,-3.23,;8.97,-3.07,;9.6,-1.66,;8.69,-.41,;7.16,-.57,;6.54,-1.98,)|
BDBM187613 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cnc(N)nc12 |r|
BDBM187614 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cnc(NCCO)nc12 |r|
BDBM187615 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1ccnn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.33,9.18,;1.99,9.95,;1.99,11.49,;.66,9.18,;.66,7.64,;1.99,6.87,;1.99,5.33,;.66,4.56,;-.67,5.33,;-.67,6.87,;-2.01,7.64,;-2.01,9.18,;-3.34,6.87,;-4.68,7.64,;-6.01,6.87,;-7.34,7.64,;-7.34,9.18,;-7.34,10.72,;-6.01,9.95,;-4.68,9.18,;-8.68,9.95,;-8.68,11.49,;-10.14,11.97,;-11.05,10.72,;-10.14,9.48,;-10.91,8.14,;3.33,4.56,;3.33,3.02,;4.79,2.55,;5.7,3.79,;7.23,3.95,;7.85,5.36,;6.95,6.6,;5.42,6.44,;4.79,5.04,;9.39,5.52,;10.92,5.68,)|
BDBM187618 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](F)(CC1)c1ccnn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.33,1.93,;1.99,2.7,;1.99,4.23,;.66,1.93,;.66,.38,;1.99,-.38,;1.99,-1.93,;.66,-2.7,;-.67,-1.93,;-.67,-.38,;-2.01,.38,;-2.01,1.93,;-3.34,-.38,;-4.68,.38,;-6.01,-.38,;-7.34,.38,;-7.34,1.93,;-7.34,3.46,;-6.01,2.7,;-4.68,1.93,;-8.68,2.7,;-8.68,4.23,;-10.14,4.71,;-11.05,3.46,;-10.14,2.22,;-10.91,.89,;3.33,-2.7,;3.33,-4.23,;4.79,-4.71,;5.7,-3.46,;7.23,-3.3,;7.85,-1.9,;6.95,-.65,;5.42,-.81,;4.79,-2.22,;9.39,-1.74,;10.92,-1.58,)|
BDBM187619 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1nccs1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
BDBM187620 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;-10.87,.89,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
BDBM187621 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1cccnc1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.52,1.78,;2.18,2.55,;2.18,4.09,;.85,1.78,;.85,.24,;2.18,-.53,;2.18,-2.07,;.85,-2.84,;-.49,-2.07,;-.49,-.53,;-1.82,.24,;-1.82,1.78,;-3.15,-.53,;-4.49,.24,;-5.82,-.53,;-7.15,.24,;-7.15,1.78,;-7.15,3.32,;-5.82,2.55,;-4.49,1.78,;-8.49,2.55,;-8.49,4.09,;-9.82,4.86,;-11.16,4.09,;-11.16,2.55,;-9.82,1.78,;3.52,-2.84,;3.52,-4.38,;4.98,-4.86,;5.88,-3.61,;7.42,-3.45,;8.04,-2.04,;7.14,-.8,;5.61,-.96,;4.98,-2.37,;9.57,-1.88,;11.11,-1.72,)|
BDBM187622 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1ccccn1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.52,1.78,;2.18,2.55,;2.18,4.09,;.85,1.78,;.85,.24,;2.18,-.53,;2.18,-2.07,;.85,-2.84,;-.49,-2.07,;-.49,-.53,;-1.82,.24,;-1.82,1.78,;-3.15,-.53,;-4.49,.24,;-5.82,-.53,;-7.15,.24,;-7.15,1.78,;-7.15,3.32,;-5.82,2.55,;-4.49,1.78,;-8.49,2.55,;-8.49,4.09,;-9.82,4.86,;-11.16,4.09,;-11.16,2.55,;-9.82,1.78,;3.52,-2.84,;3.52,-4.38,;4.98,-4.86,;5.88,-3.61,;7.42,-3.45,;8.04,-2.04,;7.14,-.8,;5.61,-.96,;4.98,-2.37,;9.57,-1.88,;11.11,-1.72,)|
BDBM187656 CC(C)Nc1cc(ncc1C(=O)NCC(=O)N1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187657 COC(=O)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187658 CCOP(=O)(CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N)OCC
BDBM187659 CC(C)Nc1cc(ncc1C(=O)NCC1CCS(=O)(=O)C1)-n1ncc2cc(cnc12)C#N
BDBM187660 CC(C)Nc1cc(ncc1C(=O)NCCN1CCS(=O)(=O)CC1)-n1ncc2cc(cnc12)C#N
BDBM187661 CCNC(=O)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187662 CC(C)Nc1cc(ncc1C(=O)NCCCc1ncn[nH]1)-n1ncc2cc(cnc12)C#N
BDBM187846 CCCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187482 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12 |r,wU:7.10,wD:4.3,(-9.6,2.55,;-8.27,1.78,;-6.93,2.55,;-6.93,4.09,;-5.6,1.78,;-5.6,.24,;-4.26,-.53,;-2.93,.24,;-2.93,1.78,;-4.26,2.55,;-1.6,-.53,;-.26,.24,;-.26,1.78,;1.07,-.53,;1.07,-2.07,;2.4,-2.84,;3.74,-2.07,;3.74,-.53,;2.4,.24,;2.4,1.78,;3.74,2.55,;5.07,1.78,;6.41,2.55,;6.41,4.09,;5.07,4.86,;3.74,4.09,;5.07,-2.84,;5.07,-4.38,;6.54,-4.86,;7.44,-3.61,;8.97,-3.45,;9.6,-2.04,;8.69,-.8,;7.16,-.96,;6.54,-2.37,)|
BDBM187483 CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12 |r,wU:7.10,wD:4.3,(-9.6,2.55,;-8.27,1.78,;-8.27,.24,;-6.93,2.55,;-5.6,1.78,;-5.6,.24,;-4.26,-.53,;-2.93,.24,;-2.93,1.78,;-4.26,2.55,;-1.6,-.53,;-.26,.24,;-.26,1.78,;1.07,-.53,;1.07,-2.07,;2.4,-2.84,;3.74,-2.07,;3.74,-.53,;2.4,.24,;2.4,1.78,;3.74,2.55,;5.07,1.78,;6.41,2.55,;6.41,4.09,;5.07,4.86,;3.74,4.09,;5.07,-2.84,;5.07,-4.38,;6.54,-4.86,;7.44,-3.61,;8.97,-3.45,;9.6,-2.04,;8.69,-.8,;7.16,-.96,;6.54,-2.37,)|
BDBM187663 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(C)cnc12 |r,wU:13.13,wD:16.20,(3.64,2.16,;2.31,2.93,;2.31,4.47,;.97,2.16,;.97,.62,;2.31,-.15,;2.31,-1.69,;.97,-2.46,;-.36,-1.69,;-.36,-.15,;-1.7,.62,;-1.7,2.16,;-3.03,-.15,;-4.36,.62,;-5.7,-.15,;-7.03,.62,;-7.03,2.16,;-5.7,2.93,;-4.36,2.16,;-8.36,2.93,;-8.36,4.47,;-9.7,2.16,;-9.7,3.7,;3.64,-2.46,;3.64,-4,;5.1,-4.47,;6.01,-3.23,;7.54,-3.07,;8.17,-1.66,;9.7,-1.5,;7.26,-.41,;5.73,-.57,;5.1,-1.98,)|
BDBM187664 CCOC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
BDBM187665 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(nc1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187666 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(O)cn1)-n1ncc2cc(cnc12)C#N
BDBM187667 CNC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:5.4,wD:8.11,(-11.86,2.16,;-10.53,2.93,;-9.2,2.16,;-9.2,.62,;-7.86,2.93,;-6.53,2.16,;-5.19,2.93,;-3.86,2.16,;-3.86,.62,;-5.19,-.15,;-6.53,.62,;-2.53,-.15,;-1.19,.62,;-1.19,2.16,;.14,-.15,;.14,-1.69,;1.47,-2.46,;2.81,-1.69,;2.81,-.15,;1.47,.62,;1.47,2.16,;2.81,2.93,;4.14,2.16,;2.81,4.47,;4.14,-2.46,;4.14,-4,;5.61,-4.47,;6.51,-3.23,;8.04,-3.07,;8.67,-1.66,;7.76,-.41,;6.23,-.57,;5.61,-1.98,;10.2,-1.5,;11.73,-1.34,)|
BDBM187668 CC(C)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187699 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCN(C)CC1)-n1ncc2cc(cnc12)C#N
BDBM187700 CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187805 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1COC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187806 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187864 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)F)n1)-n1ncc2cc(cnc12)C#N |r|
BDBM187865 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccn(CC(F)(F)F)n1)-n1ncc2cc(cnc12)C#N |r|
BDBM187987 Cn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cc1 |r|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM187427 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(O)CCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187428 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1COC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187429 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@H]1O)-n1ccc2cc(cnc12)C#N |r|
BDBM187430 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(Cl)cnc12 |r|
BDBM187431 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(Cl)cnc12 |r|
BDBM187432 CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
BDBM187433 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(Cl)cnc12 |r|
BDBM187623 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](O)(CC1)c1ccncc1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.52,1.78,;2.18,2.55,;2.18,4.09,;.85,1.78,;.85,.24,;2.18,-.53,;2.18,-2.07,;.85,-2.84,;-.49,-2.07,;-.49,-.53,;-1.82,.24,;-1.82,1.78,;-3.15,-.53,;-4.49,.24,;-5.82,-.53,;-7.15,.24,;-7.15,1.78,;-7.15,3.32,;-5.82,2.55,;-4.49,1.78,;-8.49,2.55,;-9.82,1.78,;-11.16,2.55,;-11.16,4.09,;-9.82,4.86,;-8.49,4.09,;3.52,-2.84,;3.52,-4.38,;4.98,-4.86,;5.88,-3.61,;7.42,-3.45,;8.04,-2.04,;7.14,-.8,;5.61,-.96,;4.98,-2.37,;9.57,-1.88,;11.11,-1.72,)|
BDBM187669 CC(C)Nc1cc(ncc1C(=O)NCCC1CCCCO1)-n1ncc2cc(cnc12)C#N
BDBM187807 CC(C)(C)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187808 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187809 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187810 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
BDBM187811 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187812 CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187827 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1cnc2cc(Cl)cnc12 |r|
BDBM187828 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187829 CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
BDBM187830 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187831 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCC#N)c1)-n1cnc2cc(Cl)cnc12 |r|
BDBM187832 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(cnc12)C#N |r|
BDBM187434 CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)cnc12 |r|
BDBM187435 CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(Cl)cnc12
BDBM187436 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(Cl)ccc12 |r|
BDBM187437 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(F)cnc12 |r|
BDBM187438 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
BDBM187439 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12 |r|
BDBM187440 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cncnc12 |r|
BDBM187484 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-n1ccc2cncnc12 |r,wU:13.13,wD:16.20,(3.74,4.47,;3.74,2.93,;5.07,2.16,;2.4,2.16,;2.4,.62,;3.74,-.15,;3.74,-1.69,;2.4,-2.46,;1.07,-1.69,;1.07,-.15,;-.26,.62,;-.26,2.16,;-1.6,-.15,;-2.93,.62,;-4.26,-.15,;-5.6,.62,;-5.6,2.16,;-4.26,2.93,;-2.93,2.16,;-6.93,2.93,;-8.27,2.16,;-9.6,2.93,;-8.27,.62,;5.07,-2.46,;5.07,-4,;6.54,-4.47,;7.44,-3.23,;8.97,-3.07,;9.6,-1.66,;8.69,-.41,;7.16,-.57,;6.54,-1.98,)|
BDBM187485 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;3.75,2.93,;2.98,4.27,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187486 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.55,;-9.8,1.78,;-8.46,2.55,;-8.46,4.09,;-7.13,1.78,;-7.13,.24,;-5.8,-.53,;-4.46,.24,;-4.46,1.78,;-5.8,2.55,;-3.13,-.53,;-1.79,.24,;-1.79,1.78,;-.46,-.53,;-.46,-2.07,;.87,-2.84,;2.21,-2.07,;2.21,-.53,;.87,.24,;.87,1.78,;2.21,2.55,;3.54,1.78,;4.87,2.55,;4.87,4.09,;3.54,4.86,;2.21,4.09,;3.54,-2.84,;3.54,-4.38,;5,-4.86,;5.91,-3.61,;7.44,-3.45,;8.07,-2.04,;7.16,-.8,;5.63,-.96,;5,-2.37,;9.6,-1.88,;11.13,-1.72,)|
BDBM187487 CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,3.04,;-9.8,2.27,;-9.8,.73,;-8.46,3.04,;-7.13,2.27,;-7.13,.73,;-5.8,-.04,;-4.46,.73,;-4.46,2.27,;-5.8,3.04,;-3.13,-.04,;-1.79,.73,;-1.79,2.27,;-.46,-.04,;-.46,-1.58,;.87,-2.35,;2.21,-1.58,;2.21,-.04,;.87,.73,;.87,2.27,;2.21,3.04,;3.75,3.04,;2.98,4.37,;3.54,-2.35,;3.54,-3.89,;5,-4.37,;5.91,-3.12,;7.44,-2.96,;8.07,-1.56,;7.16,-.31,;5.63,-.47,;5,-1.88,;9.6,-1.39,;11.13,-1.23,)|
BDBM187670 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cn1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187671 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cc1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187672 CC(C)Nc1cc(ncc1C(=O)Nc1cc2cc[nH]c2cn1)-n1ncc2cc(cnc12)C#N
BDBM187673 CC(C)Nc1cc(ncc1C(=O)Nc1cnc(nc1)N1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187833 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCC#N)c1)-n1ncc2cc(cnc12)C#N |r|
BDBM187834 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCC#N)c1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187835 CC(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(cnc23)C#N)cn1 |r|
BDBM187836 CC(Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(cnc23)C#N)cn1)OC(F)F |r|
BDBM187837 CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187838 CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
BDBM187847 CC(C)(C)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187848 CC(C)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187849 CCOCCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187850 CCNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187851 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-n1ncc2cc(Cl)cnc12 |r|
BDBM187852 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
BDBM187884 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
BDBM187441 CC(C)(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
BDBM187442 CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cncnc12
BDBM187443 CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cncnc12
BDBM187444 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(NC(C)=O)cnc12 |r|
BDBM187445 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(O)c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187446 CC(C)Nc1cc(ncc1C(=O)NCCCOC(C)C)-n1ccc2cc(cnc12)C#N
BDBM187488 CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.55,;-9.8,1.78,;-9.8,.24,;-8.46,2.55,;-7.13,1.78,;-7.13,.24,;-5.8,-.53,;-4.46,.24,;-4.46,1.78,;-5.8,2.55,;-3.13,-.53,;-1.79,.24,;-1.79,1.78,;-.46,-.53,;-.46,-2.07,;.87,-2.84,;2.21,-2.07,;2.21,-.53,;.87,.24,;.87,1.78,;2.21,2.55,;3.54,1.78,;4.87,2.55,;4.87,4.09,;3.54,4.86,;2.21,4.09,;3.54,-2.84,;3.54,-4.38,;5,-4.86,;5.91,-3.61,;7.44,-3.45,;8.07,-2.04,;7.16,-.8,;5.63,-.96,;5,-2.37,;9.6,-1.88,;11.13,-1.72,)|
BDBM187489 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@@H](C)CO)-n1ccc2cc(cnc12)C#N |r,wU:7.10,20.22,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;4.87,2.93,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187490 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:9.12,wD:6.5,(-11.8,2.16,;-10.46,2.93,;-10.46,4.47,;-9.13,2.16,;-7.8,2.93,;-7.8,4.47,;-6.46,2.16,;-6.46,.62,;-5.13,-.15,;-3.8,.62,;-3.8,2.16,;-5.13,2.93,;-2.46,-.15,;-1.13,.62,;-1.13,2.16,;.21,-.15,;.21,-1.69,;1.54,-2.46,;2.87,-1.69,;2.87,-.15,;1.54,.62,;1.54,2.16,;2.87,2.93,;2.87,4.47,;4.21,2.16,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
BDBM187491 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.98,4.47,;2.98,2.93,;4.31,2.16,;1.64,2.16,;1.64,.62,;2.98,-.15,;2.98,-1.69,;1.64,-2.46,;.31,-1.69,;.31,-.15,;-1.02,.62,;-1.02,2.16,;-2.36,-.15,;-3.69,.62,;-5.03,-.15,;-6.36,.62,;-6.36,2.16,;-5.03,2.93,;-3.69,2.16,;-7.69,2.93,;-7.69,4.47,;-9.03,2.16,;-10.36,2.93,;-11.13,4.27,;-11.9,2.93,;4.31,-2.46,;4.31,-4,;5.77,-4.47,;6.68,-3.23,;8.21,-3.07,;8.84,-1.66,;7.93,-.41,;6.4,-.57,;5.77,-1.98,;10.37,-1.5,;11.9,-1.34,)|
BDBM187624 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](F)(CC1)c1nccs1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
BDBM187625 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@](F)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-5.97,-.38,;-7.3,.39,;-7.3,1.93,;-7.3,3.47,;-5.97,2.7,;-4.64,1.93,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;-10.87,.89,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
BDBM187626 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@](F)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:16.17,wD:13.13,(3.37,1.93,;2.03,2.7,;2.03,4.24,;.7,1.93,;.7,.39,;2.03,-.38,;2.03,-1.92,;.7,-2.69,;-.63,-1.92,;-.63,-.38,;-1.97,.39,;-1.97,1.93,;-3.3,-.38,;-4.64,.39,;-4.64,1.93,;-5.97,2.7,;-7.3,1.93,;-7.3,3.47,;-7.3,.39,;-5.97,-.38,;-8.64,2.7,;-8.64,4.24,;-10.1,4.71,;-11.01,3.47,;-10.1,2.22,;-10.87,.89,;3.37,-2.69,;3.37,-4.23,;4.83,-4.71,;5.74,-3.46,;7.27,-3.3,;7.89,-1.9,;6.99,-.65,;5.46,-.81,;4.83,-2.22,;9.43,-1.74,;10.96,-1.58,)|
BDBM187627 CC(C)Nc1cc(ncc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O)-n1ccc2cc(cnc12)C#N |(3.43,2.16,;2.1,2.93,;2.1,4.47,;.76,2.16,;.76,.62,;2.1,-.15,;2.1,-1.69,;.76,-2.46,;-.57,-1.69,;-.57,-.15,;-1.91,.62,;-1.91,2.16,;-3.24,-.15,;-4.57,.62,;-4.57,2.16,;-5.91,2.93,;-7.24,2.16,;-7.24,.62,;-5.91,-.15,;-8.7,1.69,;-9.61,2.93,;-11.15,2.93,;-8.7,4.18,;-7.24,3.7,;-5.91,4.47,;3.43,-2.46,;3.43,-4,;4.89,-4.47,;5.8,-3.23,;7.33,-3.07,;7.96,-1.66,;7.05,-.41,;5.52,-.57,;4.89,-1.98,;9.49,-1.5,;11.02,-1.34,)|
BDBM187813 CC(C)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187853 CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-9,3.64,;-9,2.1,;-10.33,1.33,;-10.33,2.87,;-7.66,1.33,;-7.66,-.21,;-6.33,-.98,;-4.99,-.21,;-4.99,1.33,;-6.33,2.1,;-3.66,-.98,;-2.33,-.21,;-2.33,1.33,;-.99,-.98,;-.99,-2.52,;.34,-3.29,;1.67,-2.52,;1.67,-.98,;.34,-.21,;.34,1.33,;1.67,2.1,;1.67,3.64,;3.14,4.12,;4.04,2.87,;5.53,2.47,;6.62,3.56,;8.11,3.16,;6.22,5.05,;3.14,1.63,;3.01,-3.29,;3.25,-4.81,;4.77,-5.05,;5.47,-3.68,;6.96,-3.28,;7.35,-1.79,;6.27,-.7,;4.78,-1.1,;4.38,-2.59,;8.84,-1.39,;10.33,-.99,)|
BDBM187854 CC(C)(O)C(F)(F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187855 Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
BDBM187856 Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
BDBM187857 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-n1cnc2cc(Cl)cnc12 |r|
BDBM187858 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)C(F)F)-n1cnc2cc(cnc12)C#N |r|
BDBM187866 Cn1nccc1Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187867 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ncccn1)-n1ncc2cc(cnc12)C#N |r|
BDBM187868 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)-c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
BDBM187869 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)-c1ccccc1)-n1ncc2cc(cnc12)C#N |r|
BDBM187870 Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)n(C)n1 |r|
BDBM187871 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(ccc12)C#N |r,wU:13.13,wD:16.20,(1.51,4.47,;1.51,2.93,;2.84,2.16,;.18,2.16,;.18,.62,;1.51,-.15,;1.51,-1.69,;.18,-2.46,;-1.16,-1.69,;-1.16,-.15,;-2.49,.62,;-2.49,2.16,;-3.82,-.15,;-5.16,.62,;-6.49,-.15,;-7.83,.62,;-7.83,2.16,;-6.49,2.93,;-5.16,2.16,;-9.16,2.93,;-10.49,2.16,;-9.16,4.47,;-10.49,3.7,;2.84,-2.46,;2.84,-4,;4.31,-4.47,;5.21,-3.23,;6.75,-3.07,;7.37,-1.66,;6.47,-.41,;4.94,-.57,;4.31,-1.98,;8.9,-1.5,;10.44,-1.34,)|
BDBM187904 CC(C)Nc1cc(ncc1C(=O)NC1CCN(CS(=O)=O)CC1)-n1ccc2cc(cnc12)C#N
BDBM187451 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187452 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-n1ccc2cc(cnc12)C#N |r|
BDBM187453 CC(=O)Nc1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)c1 |r|
BDBM187492 CCNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:8.11,wD:5.4,(-11.8,2.16,;-10.46,2.93,;-9.13,2.16,;-7.8,2.93,;-7.8,4.47,;-6.46,2.16,;-6.46,.62,;-5.13,-.15,;-3.8,.62,;-3.8,2.16,;-5.13,2.93,;-2.46,-.15,;-1.13,.62,;-1.13,2.16,;.21,-.15,;.21,-1.69,;1.54,-2.46,;2.87,-1.69,;2.87,-.15,;1.54,.62,;1.54,2.16,;2.87,2.93,;2.87,4.47,;4.21,2.16,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
BDBM187493 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1CCC(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.16,;-9.8,1.39,;-8.46,2.16,;-8.46,3.7,;-7.13,1.39,;-7.13,-.15,;-5.8,-.92,;-4.46,-.15,;-4.46,1.39,;-5.8,2.16,;-3.13,-.92,;-1.79,-.15,;-1.79,1.39,;-.46,-.92,;-.46,-2.46,;.87,-3.23,;2.21,-2.46,;2.21,-.92,;.87,-.15,;.87,1.39,;2.21,2.16,;2.21,3.7,;.87,4.47,;2.21,5.24,;3.75,3.7,;3.54,-3.23,;3.54,-4.77,;5,-5.24,;5.91,-4,;7.44,-3.84,;8.07,-2.43,;7.16,-1.18,;5.63,-1.34,;5,-2.75,;9.6,-2.27,;11.13,-2.11,)|
BDBM187495 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)[N+]([O-])=O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(1.54,4.47,;1.54,2.93,;2.87,2.16,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.86,2.24,;-6.46,2.93,;-5.13,2.16,;-9.18,3.02,;-9.17,4.56,;-10.53,2.27,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
BDBM187496 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.82,2.16,;1.49,2.93,;1.49,4.47,;.15,2.16,;.15,.62,;1.49,-.15,;1.49,-1.69,;.15,-2.46,;-1.18,-1.69,;-1.18,-.15,;-2.51,.62,;-2.51,2.16,;-3.85,-.15,;-5.18,.62,;-6.51,-.15,;-7.85,.62,;-7.85,2.16,;-6.51,2.93,;-5.18,2.16,;-9.18,2.93,;-9.18,4.47,;-10.51,2.16,;-10.51,3.7,;2.82,-2.46,;2.82,-4,;4.29,-4.47,;5.19,-3.23,;6.72,-3.07,;7.35,-1.66,;6.44,-.41,;4.91,-.57,;4.29,-1.98,;8.88,-1.5,;10.41,-1.34,)|
BDBM187630 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CCC(=CC1)c1ccncc1)-n1ccc2cc(cnc12)C#N |r,c:17|
BDBM187631 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N(C)C |r|
BDBM187632 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(N)nc12 |r|
BDBM187633 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(NCC(C)(C)O)nc12 |r|
BDBM187634 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(NCCO)nc12 |r|
BDBM187635 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N1CC[C@H](O)C1 |r|
BDBM187674 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(OCCN(C)C)cn1)-n1ncc2cc(cnc12)C#N
BDBM187675 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(CN2CCOCC2)cc1)-n1ncc2cc(cnc12)C#N
BDBM187676 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(nc1)N1CCNCC1)-n1ncc2cc(cnc12)C#N
BDBM187677 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(nc1)N(C)C)-n1ncc2cc(cnc12)C#N
BDBM187678 CNC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
BDBM187679 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
BDBM187680 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C(F)F |r|
BDBM187814 CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
BDBM187839 CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
BDBM187859 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
BDBM187860 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(cnc12)C#N |r|
BDBM187861 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cc(n[nH]1)C1CC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187862 Cc1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)[nH]n1 |r|
BDBM187863 CC(C)c1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)[nH]n1 |r|
BDBM187887 CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(F)cnc12 |r,wU:7.10,wD:4.3,(-9.59,2.04,;-8.25,2.81,;-8.25,4.35,;-9.59,3.58,;-6.92,2.04,;-6.92,.5,;-5.58,-.27,;-4.25,.5,;-4.25,2.04,;-5.58,2.81,;-2.92,-.27,;-1.58,.5,;-1.58,2.04,;-.25,-.27,;-.25,-1.81,;1.08,-2.58,;2.42,-1.81,;2.42,-.27,;1.08,.5,;1.08,2.04,;2.42,2.81,;3.96,2.81,;3.19,4.14,;3.75,-2.58,;3.99,-4.1,;5.51,-4.35,;6.21,-2.97,;7.7,-2.58,;8.1,-1.09,;9.59,-.69,;7.01,0,;5.52,-.4,;5.12,-1.88,)|
BDBM187888 CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.33,2.04,;-9,2.81,;-9,4.35,;-10.33,3.58,;-7.66,2.04,;-7.66,.5,;-6.33,-.27,;-4.99,.5,;-4.99,2.04,;-6.33,2.81,;-3.66,-.27,;-2.33,.5,;-2.33,2.04,;-.99,-.27,;-.99,-1.81,;.34,-2.58,;1.67,-1.81,;1.67,-.27,;.34,.5,;.34,2.04,;1.67,2.81,;3.21,2.81,;2.44,4.14,;3.01,-2.58,;3.25,-4.1,;4.77,-4.35,;5.47,-2.97,;6.96,-2.58,;7.35,-1.09,;6.27,0,;4.78,-.4,;4.38,-1.88,;8.84,-.69,;10.33,-.29,)|
BDBM187889 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(C#N)c1F)-n1ccc2cc(cnc12)C#N |r|
BDBM187890 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)-c1ncc[nH]1)-n1ccc2cc(cnc12)C#N |r|
BDBM187905 CCOC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
BDBM187920 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM187921 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)c1ccccc1)-n1ccc2cc(cnc12)C#N |r|
BDBM187926 CC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187927 CC(=O)N1CCC(CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187928 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1ccnc1)-n1ccc2cc(cnc12)C#N |r|
BDBM187929 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N |r|
BDBM187574 CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187398 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(ccc12)C#N |r|
BDBM187401 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187402 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187596 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187454 CNC(=O)c1cccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)c1 |r|
BDBM187455 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM187456 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(NS(C)(=O)=O)c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187457 CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O)-n1ccc2cc(cnc12)C#N
BDBM187458 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187459 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C(N)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM187497 COC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:8.11,wD:5.4,(-11.18,-.15,;-9.85,.62,;-9.85,2.16,;-11.18,2.93,;-8.51,2.93,;-7.18,2.16,;-7.18,.62,;-5.85,-.15,;-4.51,.62,;-4.51,2.16,;-5.85,2.93,;-3.18,-.15,;-1.85,.62,;-1.85,2.16,;-.51,-.15,;-.51,-1.69,;.82,-2.46,;2.16,-1.69,;2.16,-.15,;.82,.62,;.82,2.16,;2.16,2.93,;3.49,2.16,;2.16,4.47,;3.49,-2.46,;3.49,-4,;4.95,-4.47,;5.86,-3.23,;7.39,-3.07,;8.02,-1.66,;7.11,-.41,;5.58,-.57,;4.95,-1.98,;9.55,-1.5,;11.08,-1.34,)|
BDBM187498 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@H](O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.17,(2.16,2.16,;.82,2.93,;.82,4.47,;-.51,2.16,;-.51,.62,;.82,-.15,;.82,-1.69,;-.51,-2.46,;-1.85,-1.69,;-1.85,-.15,;-3.18,.62,;-3.18,2.16,;-4.51,-.15,;-5.85,.62,;-7.18,-.15,;-8.51,.62,;-8.51,2.16,;-9.85,2.93,;-7.18,2.93,;-5.85,2.16,;2.16,-2.46,;2.16,-4,;3.62,-4.47,;4.52,-3.23,;6.06,-3.07,;6.68,-1.66,;5.78,-.41,;4.25,-.57,;3.62,-1.98,;8.21,-1.5,;9.75,-1.34,)|
BDBM187600 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.21,4.47,;2.21,2.93,;3.54,2.16,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-9.8,.62,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187601 CC(C)Nc1cc(ncc1C(=O)NC1CCc2nc(N)sc2C1)-n1ncc2cc(cnc12)C#N
BDBM187602 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.21,4.47,;2.21,2.93,;3.54,2.16,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-10.57,.83,;-9.03,.83,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187636 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N1CC[C@@H](O)C1 |r|
BDBM187637 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)OP(O)(O)=O)-n1ncc2cc(cnc12)C#N |r|
BDBM187641 CC[C@@H](C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187683 CC(C)(CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187684 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187685 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cn1)C(C)(C)O)-n1ncc2cc(cnc12)C#N
BDBM187686 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCOC1)-n1ncc2cc(cnc12)C#N
BDBM187815 CC(C)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
BDBM187816 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
BDBM187817 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)(F)F)c1)-n1cnc2cc(Cl)cnc12 |r|
BDBM187818 CCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
BDBM187819 CC(C)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
BDBM187820 COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187878 CC(C)(O)\C=C\Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187879 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@](F)(CC1)c1nccn1C)-n1ccc2cc(cnc12)C#N |r,wU:16.17,wD:13.13,(2.19,4.11,;2.19,2.57,;3.53,1.8,;.86,1.8,;.86,.26,;2.19,-.51,;2.19,-2.05,;.86,-2.82,;-.48,-2.05,;-.48,-.51,;-1.81,.26,;-1.81,1.8,;-3.14,-.51,;-4.48,.26,;-4.48,1.8,;-5.81,2.57,;-7.14,1.8,;-7.14,3.34,;-7.14,.26,;-5.81,-.51,;-8.48,2.57,;-8.48,4.11,;-9.94,4.58,;-10.85,3.34,;-9.94,2.09,;-10.71,.76,;3.53,-2.82,;3.77,-4.34,;5.29,-4.58,;5.99,-3.21,;7.47,-2.81,;7.87,-1.33,;6.78,-.24,;5.3,-.64,;4.9,-2.12,;9.36,-.93,;10.85,-.53,)|
BDBM187880 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncoc2c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187882 Cc1ccc(CNc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
BDBM187883 C[N]1=C(CC=N1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,c:4,t:1|
BDBM187891 C[C@@H](CO)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(F)cnc12 |r,wU:14.14,1.0,wD:17.21,(2.42,4.35,;2.42,2.81,;3.75,2.04,;5.08,2.81,;1.08,2.04,;1.08,.5,;2.42,-.27,;2.42,-1.81,;1.08,-2.58,;-.25,-1.81,;-.25,-.27,;-1.58,.5,;-1.58,2.04,;-2.92,-.27,;-4.25,.5,;-5.58,-.27,;-6.92,.5,;-6.92,2.04,;-5.58,2.81,;-4.25,2.04,;-8.25,2.81,;-9.59,2.04,;-8.25,4.35,;-9.59,3.58,;3.75,-2.58,;3.99,-4.1,;5.51,-4.35,;6.21,-2.97,;7.7,-2.58,;8.1,-1.09,;9.59,-.69,;7.01,0,;5.52,-.4,;5.12,-1.88,)|
BDBM187892 CCn1nnnc1-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cc1 |r|
BDBM187893 COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
BDBM187894 CC(C)NC(=O)[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187895 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nn[nH]c2c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187896 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187906 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncc(F)cn1)-n1ccc2cc(cnc12)C#N |r|
BDBM187907 C[C@@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N)C1CC1 |r|
BDBM187908 C[C@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N)C1CC1 |r|
BDBM187909 CC(C)Nc1cc(ncc1C(=O)NCCNS(=O)(=O)N1CCOCC1)-n1ccc2cc(cnc12)C#N
BDBM187910 CS(=O)(=O)NCCNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N
BDBM187911 CC(C)CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187922 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM187930 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)C(=O)CC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
BDBM187931 COC(=O)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187932 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CNC1)-n1ccc2cc(cnc12)C(N)=O |r|
BDBM187934 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)C(=O)CC#N)-n1ccc2cc(cnc12)C#N |r|
BDBM187403 CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187404 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)F)-n1ccc2cc(cnc12)C#N |r|
BDBM187405 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187408 C[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187409 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187460 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:4.4,17.17,20.22,wD:20.21,(-8.46,1.5,;-8.46,-.04,;-9.8,.73,;-9.8,-.81,;-7.13,-.81,;-7.13,-2.35,;-5.8,-.04,;-4.46,-.81,;-3.13,-.04,;-3.13,1.5,;-1.79,-.81,;-1.79,-2.35,;-.46,-3.12,;.87,-2.35,;.87,-.81,;-.46,-.04,;-.46,1.5,;.87,2.27,;.87,3.81,;2.21,4.58,;3.54,3.81,;4.31,5.14,;5.08,3.81,;3.54,2.27,;2.21,1.5,;2.21,-3.12,;2.21,-4.66,;3.67,-5.14,;4.58,-3.89,;6.11,-3.73,;6.73,-2.33,;5.83,-1.08,;4.3,-1.24,;3.67,-2.65,;8.27,-2.16,;9.8,-2,)|
BDBM187461 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:4.4,17.17,20.21,wD:20.22,(-8.46,1.5,;-8.46,-.04,;-9.8,.73,;-9.8,-.81,;-7.13,-.81,;-7.13,-2.35,;-5.8,-.04,;-4.46,-.81,;-3.13,-.04,;-3.13,1.5,;-1.79,-.81,;-1.79,-2.35,;-.46,-3.12,;.87,-2.35,;.87,-.81,;-.46,-.04,;-.46,1.5,;.87,2.27,;.87,3.81,;2.21,4.58,;3.54,3.81,;4.31,5.14,;5.08,3.81,;3.54,2.27,;2.21,1.5,;2.21,-3.12,;2.21,-4.66,;3.67,-5.14,;4.58,-3.89,;6.11,-3.73,;6.73,-2.33,;5.83,-1.08,;4.3,-1.24,;3.67,-2.65,;8.27,-2.16,;9.8,-2,)|
BDBM187462 CC(C)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-n1ccc2cc(cnc12)C#N
BDBM187463 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncsc2c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187464 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(F)CCC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187465 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C#N)-n1ccc2cc(cnc12)C#N |r|
BDBM187603 CC(C)Nc1cc(ncc1C(=O)NCC(F)(F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
BDBM187608 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc(n1)-c1ccnnc1 |r|
BDBM187609 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187645 COc1cnc2n(ncc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187646 CC(C)Nc1cc(ncc1C(=O)NC[C@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187647 CC(C)NC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r|
BDBM187648 COC1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |(-10.3,2.16,;-8.97,2.93,;-7.63,2.16,;-6.3,2.93,;-4.97,2.16,;-4.97,.62,;-6.3,-.15,;-7.63,.62,;-3.63,-.15,;-2.3,.62,;-2.3,2.16,;-.96,-.15,;-.96,-1.69,;.37,-2.46,;1.7,-1.69,;1.7,-.15,;.37,.62,;.37,2.16,;1.7,2.93,;1.7,4.47,;3.04,2.16,;3.04,-2.46,;3.04,-4,;4.5,-4.47,;5.41,-3.23,;6.94,-3.07,;7.56,-1.66,;6.66,-.41,;5.13,-.57,;4.5,-1.98,;9.1,-1.5,;10.63,-1.34,)|
BDBM187649 CCCCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187689 CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)c1ncccn1)-n1ncc2cc(cnc12)C#N
BDBM187690 CC(C)Nc1cc(ncc1C(=O)Nc1ccc(cn1)N1CCN(C)CC1)-n1ncc2cc(cnc12)C#N
BDBM187691 CC(C)Nc1cc(ncc1C(=O)NCCC(=O)N1CCN(C)CC1)-n1ncc2cc(cnc12)C#N
BDBM187693 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187694 CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
BDBM187821 COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
BDBM187822 CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187823 COCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2cnc3cc(Cl)cnc23)cn1 |r|
BDBM187824 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187825 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CCCF)c1)-n1ncc2cc(cnc12)C#N |r|
BDBM187826 CC(F)(F)Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(Cl)cnc23)cn1 |r|
BDBM187840 CCCn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ccc3cc(cnc23)C#N)cn1 |r|
BDBM187841 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(F)cnc12 |r|
BDBM187842 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(c1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
BDBM187843 CCNC(=O)n1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187844 Cn1cc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cn1 |r|
BDBM187845 CC(C)NC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187897 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2[nH]ncc2c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187898 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2nc[nH]c2c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187899 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCOC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187900 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187902 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(CO)C1)-n1ccc2cc(cnc12)C#N |r|
BDBM187914 CC(C)(C)OC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187917 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1c1c[nH]cn1)-n1ccc2cc(cnc12)C#N |r|
BDBM187923 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCNC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187924 CC(C)Nc1cc(ncc1C(=O)NCC(=O)N1CCN(C)CC1)-n1ccc2cc(cnc12)C#N
BDBM187925 CC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187933 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM187935 C[C@@H](CO)Nc1cc(ncc1C(=O)NCCNS(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r|
BDBM188017 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COCC1(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM188016 CC(C)(O)CCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
BDBM188842 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
BDBM188843 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C1CCCOC1
BDBM188844 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C1CCOCC1
BDBM188849 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC(N)=O)CC1
BDBM188850 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C(=O)C1(O)CCC1
BDBM188851 CN1CCOC(C1)C(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
BDBM188852 COC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
BDBM188907 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccn1
BDBM188908 Cc1ccc(nc1C)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188909 Cc1nn(C)c2nc(ccc12)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188076 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,20.22,wD:20.21,(-7.56,1.16,;-8.33,-.17,;-9.1,1.16,;-9.66,-.94,;-7,-.94,;-7,-2.48,;-5.66,-.17,;-4.33,-.94,;-2.99,-.17,;-2.99,1.37,;-1.66,-.94,;-1.66,-2.48,;-.33,-3.25,;1.01,-2.48,;1.01,-.94,;-.33,-.17,;-.33,1.37,;1.01,2.14,;1.01,3.68,;2.34,4.45,;3.67,3.68,;5.21,3.68,;4.44,5.01,;3.67,2.14,;2.34,1.37,;2.34,-3.25,;2.58,-4.77,;4.1,-5.01,;4.8,-3.64,;6.29,-3.24,;6.69,-1.75,;5.6,-.67,;4.11,-1.06,;3.71,-2.55,;8.18,-1.36,;9.66,-.96,)|
BDBM188910 CC1(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CN)cn1
BDBM189084 CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189085 CN1CCC(=CC1=O)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |c:4|
BDBM189086 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnc(N)c1
BDBM189087 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1noc2ccccc12
BDBM189088 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc2ccccc12
BDBM189089 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1ccncc1
BDBM187991 Cn1cc(cn1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cc1 |r|
BDBM187994 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
BDBM187996 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)c1ccccc1)-n1ncc2cc(cnc12)C#N |r|
BDBM187499 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@](C)(O)CC1)-n1ccc2cc(cnc12)C#N |r,wU:13.13,16.17,wD:16.18,(2.16,2.16,;.82,2.93,;.82,4.47,;-.51,2.16,;-.51,.62,;.82,-.15,;.82,-1.69,;-.51,-2.46,;-1.85,-1.69,;-1.85,-.15,;-3.18,.62,;-3.18,2.16,;-4.51,-.15,;-5.85,.62,;-7.18,-.15,;-8.51,.62,;-8.51,2.16,;-8.51,3.7,;-9.85,2.93,;-7.18,2.93,;-5.85,2.16,;2.16,-2.46,;2.16,-4,;3.62,-4.47,;4.52,-3.23,;6.06,-3.07,;6.68,-1.66,;5.78,-.41,;4.25,-.57,;3.62,-1.98,;8.21,-1.5,;9.75,-1.34,)|
BDBM187500 CCNc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:12.12,wD:15.19,(1.49,4.47,;1.49,2.93,;.15,2.16,;.15,.62,;1.49,-.15,;1.49,-1.69,;.15,-2.46,;-1.18,-1.69,;-1.18,-.15,;-2.51,.62,;-2.51,2.16,;-3.85,-.15,;-5.18,.62,;-6.51,-.15,;-7.85,.62,;-7.85,2.16,;-6.51,2.93,;-5.18,2.16,;-9.18,2.93,;-9.18,4.47,;-10.51,2.16,;-10.51,3.7,;2.82,-2.46,;2.82,-4,;4.29,-4.47,;5.19,-3.23,;6.72,-3.07,;7.35,-1.66,;6.44,-.41,;4.91,-.57,;4.29,-1.98,;8.88,-1.5,;10.41,-1.34,)|
BDBM187501 CS[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r,wU:5.8,wD:2.1,(-10.49,7.14,;-9.16,7.91,;-7.83,7.14,;-7.83,5.6,;-6.49,4.83,;-5.16,5.6,;-5.16,7.14,;-6.49,7.91,;-3.83,4.83,;-2.49,5.6,;-2.49,7.14,;-1.16,4.83,;-1.16,3.29,;.17,2.52,;1.51,3.29,;1.51,4.83,;.17,5.6,;.17,7.14,;1.51,7.91,;2.84,7.14,;1.51,9.45,;2.84,2.52,;2.84,.98,;4.31,.5,;5.21,1.75,;6.74,1.91,;7.37,3.32,;6.46,4.56,;4.93,4.4,;4.31,3,;8.9,3.48,;10.43,3.64,)|
BDBM187706 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N1CCN(CC1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
BDBM187707 CC(C)Nc1cc(ncc1C(=O)NCC(F)C1(O)COC1)-n1ncc2cc(Cl)cnc12
BDBM187708 CC(C)Nc1cc(ncc1C(=O)NCCc1ccncc1)-n1ncc2cc(cnc12)C#N
BDBM187709 CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(F)cc1)-n1ncc2cc(cnc12)C#N
BDBM187710 COc1ccc(CCNC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cc1
BDBM187711 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM187712 CC(C)Nc1cc(ncc1C(=O)NCC1CC1C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12
BDBM188854 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188855 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)[N+]#[C-])C1CCN(CC1)S(C)(=O)=O
BDBM188856 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(C)cnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188857 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cccnc1
BDBM188858 COc1ccc(cn1)-c1cc(NC(=O)C2=C3N=CC=C[N]3=NC2)n(n1)-c1ccc(C)cc1 |c:15,17,19,22|
BDBM188077 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@](C)(O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,20.21,wD:20.22,(-7.56,1.16,;-8.33,-.17,;-9.1,1.16,;-9.66,-.94,;-7,-.94,;-7,-2.48,;-5.66,-.17,;-4.33,-.94,;-2.99,-.17,;-2.99,1.37,;-1.66,-.94,;-1.66,-2.48,;-.33,-3.25,;1.01,-2.48,;1.01,-.94,;-.33,-.17,;-.33,1.37,;1.01,2.14,;1.01,3.68,;2.34,4.45,;3.67,3.68,;5.21,3.68,;4.44,5.01,;3.67,2.14,;2.34,1.37,;2.34,-3.25,;2.58,-4.77,;4.1,-5.01,;4.8,-3.64,;6.29,-3.24,;6.69,-1.75,;5.6,-.67,;4.11,-1.06,;3.71,-2.55,;8.18,-1.36,;9.66,-.96,)|
BDBM188911 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1ncn2cccnc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM188912 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM188913 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM188081 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188082 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(O)(CC1)C2)-n1ncc2cc(cnc12)C#N |r|
BDBM189090 COc1ccc(cc1OC)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM187652 CC(F)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187506 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)S(C)(=O)=O)-n1ccc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-10.46,2.16,;-9.9,4.27,;-8.36,4.27,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
BDBM187715 CC(C)Nc1cc(ncc1C(=O)NCCC1CCN(C)CC1)-n1ncc2cc(cnc12)C#N
BDBM187716 CC(C)Nc1cc(ncc1C(=O)NCc1nc(Cc2ccccc2)no1)-n1ncc2cc(cnc12)C#N
BDBM187717 CC(C)Nc1cc(ncc1C(=O)Nc1cnn(c1)C1COC1)-n1ncc2cc(cnc12)C#N
BDBM187718 CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(cc1)N(CS(=O)=O)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187719 CC(C)Nc1cc(ncc1C(=O)NCCc1ccc(NC(C)=O)cc1)-n1ncc2cc(cnc12)C#N
BDBM188859 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
BDBM188860 Fc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
BDBM188861 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
BDBM188862 Cc1ccc(cc1F)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccncc1
BDBM188863 COc1cc(ccn1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188864 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CC1
BDBM188865 COc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188914 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CC1
BDBM188915 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1(C)CC1
BDBM188085 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)N1CCc2cc(cnc12)C#N |r|
BDBM188086 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188916 COc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM188917 COC(=O)NCC1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1 |(-4.86,-9.98,;-4.46,-8.49,;-2.97,-8.09,;-1.88,-9.18,;-2.57,-6.6,;-1.09,-6.2,;-.69,-4.72,;-1.78,-3.63,;-1.38,-2.14,;.11,-1.74,;1.2,-2.83,;.8,-4.32,;.51,-.25,;-.4,.99,;.51,2.24,;.11,3.73,;-1.38,4.12,;-2.47,3.04,;-1.78,5.61,;-1.3,7.08,;-2.55,7.98,;-3.79,7.08,;-5.3,7.4,;-6.33,6.25,;-5.85,4.79,;-4.35,4.47,;-3.32,5.61,;1.97,1.76,;1.97,.22,;3.06,2.85,;2.66,4.34,;3.75,5.43,;5.24,5.03,;6.33,6.12,;5.64,3.54,;4.55,2.45,)|
BDBM187507 CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CCOCC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.46,1.78,;-9.13,2.55,;-9.9,3.88,;-8.36,3.88,;-7.8,1.78,;-7.8,.24,;-6.46,-.53,;-5.13,.24,;-5.13,1.78,;-6.46,2.55,;-3.8,-.53,;-2.46,.24,;-2.46,1.78,;-1.13,-.53,;-1.13,-2.07,;.21,-2.84,;1.54,-2.07,;1.54,-.53,;.21,.24,;.21,1.78,;1.54,2.55,;2.87,1.78,;4.21,2.55,;4.21,4.09,;2.87,4.86,;1.54,4.09,;2.87,-2.84,;2.87,-4.38,;4.34,-4.86,;5.24,-3.61,;6.77,-3.45,;7.4,-2.04,;6.5,-.8,;4.96,-.96,;4.34,-2.37,;8.93,-1.88,;10.46,-1.72,)|
BDBM187508 CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.46,2.27,;-9.13,3.04,;-9.9,4.37,;-8.36,4.37,;-7.8,2.27,;-7.8,.73,;-6.46,-.04,;-5.13,.73,;-5.13,2.27,;-6.46,3.04,;-3.8,-.04,;-2.46,.73,;-2.46,2.27,;-1.13,-.04,;-1.13,-1.58,;.21,-2.35,;1.54,-1.58,;1.54,-.04,;.21,.73,;.21,2.27,;1.54,3.04,;3.08,3.04,;2.31,4.37,;2.87,-2.35,;2.87,-3.89,;4.34,-4.37,;5.24,-3.12,;6.77,-2.96,;7.4,-1.56,;6.5,-.31,;4.96,-.47,;4.34,-1.88,;8.93,-1.39,;10.46,-1.23,)|
BDBM187509 CS(=O)(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cccc(c1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.46,.62,;-9.13,1.39,;-9.9,2.73,;-8.36,2.73,;-7.8,.62,;-7.8,-.92,;-6.46,-1.69,;-5.13,-.92,;-5.13,.62,;-6.46,1.39,;-3.8,-1.69,;-2.46,-.92,;-2.46,.62,;-1.13,-1.69,;-1.13,-3.23,;.21,-4,;1.54,-3.23,;1.54,-1.69,;.21,-.92,;.21,.62,;1.54,1.39,;2.87,.62,;4.21,1.39,;4.21,2.93,;2.87,3.7,;1.54,2.93,;2.87,5.24,;4.21,6.01,;1.54,6.01,;2.87,-4,;2.87,-5.54,;4.34,-6.01,;5.24,-4.77,;6.77,-4.61,;7.4,-3.2,;6.5,-1.95,;4.96,-2.11,;4.34,-3.52,;8.93,-3.04,;10.46,-2.88,)|
BDBM187720 CC(C)Nc1cc(ncc1C(=O)Nc1cnn(c1)C1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187721 CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)C(C)C)-n1ncc2cc(cnc12)C#N
BDBM187722 CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)C(=O)C(C)C)-n1ncc2cc(cnc12)C#N
BDBM187723 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,22.25,(2.87,4.47,;2.87,2.93,;4.21,2.16,;1.54,2.16,;1.54,.62,;2.87,-.15,;2.87,-1.69,;1.54,-2.46,;.21,-1.69,;.21,-.15,;-1.13,.62,;-1.13,2.16,;-2.46,-.15,;-3.8,.62,;-5.13,-.15,;-6.46,.62,;-6.46,2.16,;-5.13,2.93,;-3.8,2.16,;-7.8,2.93,;-9.13,2.16,;-9.13,.62,;-10.46,2.93,;-11.8,2.16,;-10.46,4.47,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
BDBM187724 CC(C)Nc1cc(ncc1C(=O)NCCC1CCN(CC1)C(=O)C[N+]#[C-])-n1ncc2cc(cnc12)C#N
BDBM187725 CC(C)Nc1cc(ncc1C(=O)NCCc1cccnc1)-n1ncc2cc(cnc12)C#N
BDBM188866 COc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cccc(F)c1
BDBM188867 COc1ccc(cc1OC)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188868 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM188869 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(F)cc1
BDBM188870 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cncc(F)c1
BDBM188871 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cncnc1
BDBM188872 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1=CCNCC1 |t:28|
BDBM188918 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(CN)CC1 |(6.33,5.77,;5.24,4.68,;3.75,5.08,;2.66,3.99,;3.06,2.51,;4.55,2.11,;5.64,3.2,;1.97,1.42,;1.97,-.12,;.51,-.6,;-.4,.65,;.51,1.89,;.11,3.38,;-1.38,3.78,;-2.47,2.69,;-1.78,5.27,;-1.3,6.73,;-2.55,7.64,;-3.79,6.73,;-5.3,7.05,;-6.33,5.91,;-5.85,4.44,;-4.35,4.12,;-3.32,5.27,;.11,-2.09,;-1.38,-2.48,;-1.78,-3.97,;-.69,-5.06,;-1.09,-6.55,;0,-7.64,;.8,-4.66,;1.2,-3.17,)|
BDBM188091 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC1COC1)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-7.56,1.44,;-8.33,.11,;-9.1,1.44,;-9.66,-.66,;-7,-.66,;-7,-2.2,;-5.66,.11,;-4.33,-.66,;-2.99,.11,;-2.99,1.65,;-1.66,-.66,;-1.66,-2.2,;-.33,-2.97,;1.01,-2.2,;1.01,-.66,;-.33,.11,;-.33,1.65,;1.01,2.42,;2.34,1.65,;3.67,2.42,;3.67,3.96,;2.34,4.73,;1.01,3.96,;5.01,4.73,;6.34,3.96,;6.74,2.47,;8.23,2.87,;7.83,4.36,;2.34,-2.97,;2.58,-4.49,;4.1,-4.73,;4.8,-3.36,;6.29,-2.96,;6.69,-1.47,;5.6,-.38,;4.11,-.78,;3.71,-2.27,;8.18,-1.07,;9.66,-.68,)|
BDBM188092 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C1CC1)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-7.56,.78,;-8.33,-.56,;-9.1,.78,;-9.66,-1.33,;-7,-1.33,;-7,-2.87,;-5.66,-.56,;-4.33,-1.33,;-2.99,-.56,;-2.99,.98,;-1.66,-1.33,;-1.66,-2.87,;-.33,-3.64,;1.01,-2.87,;1.01,-1.33,;-.33,-.56,;-.33,.98,;1.01,1.75,;2.34,.98,;3.67,1.75,;3.67,3.29,;2.34,4.06,;1.01,3.29,;5.01,4.06,;6.34,3.29,;6.34,1.75,;7.68,4.06,;9.22,4.06,;8.45,5.4,;2.34,-3.64,;2.58,-5.16,;4.1,-5.4,;4.8,-4.03,;6.29,-3.63,;6.69,-2.14,;5.6,-1.05,;4.11,-1.45,;3.71,-2.94,;8.18,-1.74,;9.66,-1.34,)|
BDBM188093 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(O)(C3)C1)C2)-n1ncc2cc(cnc12)C#N |r,TLB:27:17:25:22.21.20,THB:16:17:25:22.21.20,27:21:25:17.18.26,18:17:22:25.19.20,18:19:22:17.27.26|
BDBM188919 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCC(N)CC1 |(6.33,5.23,;5.24,4.14,;3.75,4.54,;2.66,3.45,;3.06,1.96,;4.55,1.56,;5.64,2.65,;1.97,.87,;1.97,-.67,;.51,-1.14,;-.4,.1,;.51,1.35,;.11,2.84,;-1.38,3.24,;-2.47,2.15,;-1.78,4.72,;-1.3,6.19,;-2.55,7.09,;-3.79,6.19,;-5.3,6.51,;-6.33,5.36,;-5.85,3.9,;-4.35,3.58,;-3.32,4.72,;.11,-2.63,;-1.38,-3.03,;-1.78,-4.52,;-.69,-5.61,;-1.09,-7.09,;.8,-5.21,;1.2,-3.72,)|
BDBM187726 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC(C)(O)CC1)-n1ncc2cc(cnc12)C#N |(2.21,4.47,;2.21,2.93,;3.54,2.16,;.87,2.16,;.87,.62,;2.21,-.15,;2.21,-1.69,;.87,-2.46,;-.46,-1.69,;-.46,-.15,;-1.79,.62,;-1.79,2.16,;-3.13,-.15,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-7.13,-.92,;-7.13,2.16,;-8.46,2.93,;-9.8,2.16,;-11.13,2.93,;-9.8,3.7,;-9.8,.62,;-8.46,-.15,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187728 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCC(F)(F)CC1)-n1ncc2cc(cnc12)C#N
BDBM187729 CC(C)CC(=O)NCc1cnc2n(ncc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187730 CC(C)Nc1cc(ncc1C(=O)Nc1cnn(c1)C1CN(C1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187731 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)c(N)nc12 |r|
BDBM188873 Cc1ccc(cc1)-n1nc(cc1NC(=O)C1=C2N=CC=C[N]2=NC1)C1=CCN(CC1)S(C)(=O)=O |c:17,19,21,24,t:28|
BDBM188874 CN1CCC(=CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1 |c:4|
BDBM188875 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM188876 Cc1ccc(cc1)-n1nc(CN2CCCC2)cc1NC(=O)c1cnn2cccnc12
BDBM188877 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(CN2CCCC2)cc1
BDBM188878 CN1CCN(Cc2ccc(cc2)-c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)CC1
BDBM188879 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(CN2CCOCC2)cc1
BDBM188921 CC(C)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ncc[nH]1
BDBM188097 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
BDBM188098 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@@H]1CCCC[C@H]1F)-n1ncc2cc(C#N)c(N)nc12 |r,wU:7.10,20.21,wD:25.28,4.3,(-11,2.42,;-9.66,1.65,;-8.33,2.42,;-8.33,3.96,;-7,1.65,;-7,.11,;-5.66,-.66,;-4.33,.11,;-4.33,1.65,;-5.66,2.42,;-2.99,-.66,;-1.66,.11,;-1.66,1.65,;-.33,-.66,;-.33,-2.2,;1.01,-2.97,;2.34,-2.2,;2.34,-.66,;1.01,.11,;1.01,1.65,;2.34,2.42,;3.67,1.65,;5.01,2.42,;5.01,3.96,;3.67,4.73,;2.34,3.96,;1.01,4.73,;3.67,-2.97,;3.91,-4.49,;5.44,-4.73,;6.14,-3.36,;7.62,-2.96,;8.02,-1.47,;9.51,-1.07,;11,-.68,;6.93,-.38,;7.33,1.1,;5.45,-.78,;5.05,-2.27,)|
BDBM188099 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@H]1CCCC[C@@H]1F)-n1ncc2cc(C#N)c(N)nc12 |r,wU:7.10,25.28,wD:20.21,4.3,(-11,2.42,;-9.66,1.65,;-8.33,2.42,;-8.33,3.96,;-7,1.65,;-7,.11,;-5.66,-.66,;-4.33,.11,;-4.33,1.65,;-5.66,2.42,;-2.99,-.66,;-1.66,.11,;-1.66,1.65,;-.33,-.66,;-.33,-2.2,;1.01,-2.97,;2.34,-2.2,;2.34,-.66,;1.01,.11,;1.01,1.65,;2.34,2.42,;3.67,1.65,;5.01,2.42,;5.01,3.96,;3.67,4.73,;2.34,3.96,;1.01,4.73,;3.67,-2.97,;3.91,-4.49,;5.44,-4.73,;6.14,-3.36,;7.62,-2.96,;8.02,-1.47,;9.51,-1.07,;11,-.68,;6.93,-.38,;7.33,1.1,;5.45,-.78,;5.05,-2.27,)|
BDBM188920 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(CCN)n1
BDBM187524 CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
BDBM187527 C[C@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187732 CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187733 CC[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)c(N)nc12 |r|
BDBM187734 CC(C)Nc1cc(ncc1C(=O)Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N
BDBM187735 CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187736 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,22.25,wD:16.20,(2.87,4.47,;2.87,2.93,;4.21,2.16,;1.54,2.16,;1.54,.62,;2.87,-.15,;2.87,-1.69,;1.54,-2.46,;.21,-1.69,;.21,-.15,;-1.13,.62,;-1.13,2.16,;-2.46,-.15,;-3.8,.62,;-5.13,-.15,;-6.46,.62,;-6.46,2.16,;-5.13,2.93,;-3.8,2.16,;-7.8,2.93,;-9.13,2.16,;-9.13,.62,;-10.46,2.93,;-11.8,2.16,;-10.46,4.47,;4.21,-2.46,;4.21,-4,;5.67,-4.47,;6.58,-3.23,;8.11,-3.07,;8.73,-1.66,;7.83,-.41,;6.3,-.57,;5.67,-1.98,;10.27,-1.5,;11.8,-1.34,)|
BDBM187737 CC(C)(C)Nc1cc(ncc1C(=O)NCCC(C)(C)F)-n1ncc2cc(cnc12)C#N
BDBM188880 O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCNCC1)c1cnn2cccnc12
BDBM188881 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
BDBM188882 O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCN(CC1)C1CCC1)c1cnn2cccnc12
BDBM188883 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
BDBM188884 O=C(Nc1cc(nn1-c1ccc(cn1)C1CC1)C1CCN(CC1)S(=O)(=O)C1CC1)c1cnn2cccnc12
BDBM188885 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
BDBM188886 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188100 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188101 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(O)(C3)C1)C2)-n1ncc2cc(C#N)c(N)nc12 |r,TLB:27:17:25:22.21.20,THB:16:17:25:22.21.20,27:21:25:17.18.26,18:17:22:25.19.20,18:19:22:17.27.26|
BDBM188102 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)C(F)F)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-9.23,.8,;-8.46,-.53,;-7.69,.8,;-9.8,-1.3,;-7.13,-1.3,;-7.13,-2.84,;-5.8,-.53,;-4.46,-1.3,;-3.13,-.53,;-3.13,1.01,;-1.79,-1.3,;-1.79,-2.84,;-.46,-3.61,;.87,-2.84,;.87,-1.3,;-.46,-.53,;-.46,1.01,;.87,1.78,;2.21,1.01,;3.54,1.78,;3.54,3.32,;2.21,4.09,;.87,3.32,;4.87,4.09,;6.21,3.32,;6.21,1.78,;7.54,4.09,;8.87,3.32,;7.54,5.63,;2.21,-3.61,;2.21,-5.15,;3.67,-5.63,;4.58,-4.38,;6.11,-4.22,;6.73,-2.81,;5.83,-1.57,;4.3,-1.73,;3.67,-3.14,;8.27,-2.65,;9.8,-2.49,)|
BDBM188103 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1F)-n1ncc2cc(cnc12)C#N |r,wU:4.4,20.24,wD:17.17,(-9.44,.42,;-8.67,-.92,;-7.9,.42,;-10,-1.69,;-7.34,-1.69,;-7.34,-3.23,;-6,-.92,;-4.67,-1.69,;-3.33,-.92,;-3.33,.62,;-2,-1.69,;-2,-3.23,;-.67,-4,;.67,-3.23,;.67,-1.69,;-.67,-.92,;-.67,.62,;.67,1.39,;2,.62,;3.33,1.39,;3.33,2.93,;2,3.7,;.67,2.93,;4.67,3.7,;6,2.93,;6,1.39,;7.34,3.7,;7.34,5.24,;8.67,6.01,;10,5.24,;10,3.7,;8.67,2.93,;8.67,1.39,;2,-4,;2,-5.54,;3.47,-6.01,;4.37,-4.77,;5.9,-4.61,;6.53,-3.2,;5.62,-1.95,;4.09,-2.11,;3.47,-3.52,;8.06,-3.04,;9.59,-2.88,)|
BDBM188104 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-n1ncc2cc(cnc12)C#N |r|
BDBM189092 CCCS(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189091 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cc(F)cc(F)c1
BDBM189093 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccccc1C#N
BDBM189094 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)CCC(F)(F)F
BDBM187531 C[C@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
BDBM187532 C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12 |r|
BDBM187533 C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187534 C[C@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187535 C[C@@H](CF)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187738 CC[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187739 CCS(=O)(=O)N1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187740 COC1CCC(O)(CCNC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)CC1 |(-11.66,2.04,;-10.33,2.81,;-9,2.04,;-7.66,2.81,;-6.33,2.04,;-6.33,.5,;-6.33,-1.04,;-4.99,-.27,;-3.66,.5,;-2.33,-.27,;-.99,.5,;-.99,2.04,;.34,-.27,;.34,-1.81,;1.67,-2.58,;3.01,-1.81,;3.01,-.27,;1.67,.5,;1.67,2.04,;3.01,2.81,;3.01,4.35,;4.34,2.04,;4.34,-2.58,;4.58,-4.1,;6.1,-4.35,;6.8,-2.97,;8.29,-2.58,;8.69,-1.09,;7.6,0,;6.11,-.4,;5.71,-1.88,;10.18,-.69,;11.66,-.29,;-7.66,-.27,;-9,.5,)|
BDBM187741 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187742 CC(C)(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM187743 [#6]-[#6](-[#6])-[#7]-c1cc(ncc1-[#6](=O)-[#7]-[#6]\[#6](F)=[#6]-1/[#6]-[#6]-[#8]-[#6]-[#6]-1)-n1ncc2cc(cnc12)C#N
BDBM188845 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
BDBM50040772 Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)cc(C)n1 |r|
BDBM50040800 CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(F)c12 |r,wU:3.2,wD:6.9,(43.41,-21.28,;44.74,-22.06,;44.74,-23.59,;46.08,-21.29,;46.09,-19.75,;47.41,-18.99,;48.75,-19.76,;48.75,-21.3,;47.41,-22.06,;50.08,-18.99,;50.08,-17.45,;48.75,-16.68,;48.75,-15.14,;50.08,-14.37,;51.41,-15.13,;52.89,-14.65,;53.8,-15.9,;52.89,-17.15,;53.37,-18.61,;51.41,-16.68,)|
BDBM50040807 CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3CCCc3c12 |r,wU:3.2,wD:6.9,(1.33,-8.58,;2.65,-9.36,;2.65,-10.89,;3.99,-8.59,;3.99,-7.05,;5.32,-6.29,;6.66,-7.06,;6.66,-8.6,;5.32,-9.36,;7.99,-6.29,;7.99,-4.76,;6.66,-3.99,;6.66,-2.45,;7.98,-1.68,;9.32,-2.44,;10.79,-1.96,;11.7,-3.21,;13.16,-3.69,;13.15,-5.23,;11.69,-5.7,;10.79,-4.45,;9.32,-3.99,)|
BDBM50040808 O=C(N1CCOCC1)c1ccc(cc1)-n1cc(nn1)-c1n[nH]c2ccccc12
BDBM188888 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM188890 COc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188891 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CN)cn1
BDBM188892 CC(C)(CN)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188105 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC12CC3CC(CC(O)(C3)C1)C2)-n1ncc2cc(cnc12)C#N |r,TLB:27:17:25:22.21.20,THB:16:17:25:22.21.20,27:21:25:17.18.26,18:17:22:25.19.20,18:19:22:17.27.26|
BDBM188106 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CC(C1)C2)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188922 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1nccn1S(C)(=O)=O
BDBM188923 O=C(Nc1cc(nn1-c1nccs1)C1CCNCC1)c1cnn2cccnc12
BDBM188924 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188110 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:23.25,6.5,wD:9.12,(8.87,3.32,;7.54,4.09,;7.54,5.63,;6.21,3.32,;4.87,4.09,;4.87,5.63,;3.54,3.32,;3.54,1.78,;2.21,1.01,;.87,1.78,;.87,3.32,;2.21,4.09,;-.46,1.01,;-.46,-.53,;.87,-1.3,;.87,-2.84,;-.46,-3.61,;-1.79,-2.84,;-1.79,-1.3,;-3.13,-.53,;-3.13,1.01,;-4.46,-1.3,;-5.8,-.53,;-7.13,-1.3,;-7.13,-2.84,;-8.46,-.53,;-9.23,.8,;-7.69,.8,;-9.8,-1.3,;2.21,-3.61,;2.21,-5.15,;3.67,-5.63,;4.58,-4.38,;6.11,-4.22,;6.73,-2.81,;5.83,-1.57,;4.3,-1.73,;3.67,-3.14,;8.27,-2.65,;9.8,-2.49,)|
BDBM187536 C[C@H](CF)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187537 C[C@@H](CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187538 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1N[C@@H](C)CF)-n1ncc2cc(cnc12)C#N |r,wU:7.10,20.22,wD:4.3,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-7.13,.62,;-5.8,-.15,;-4.46,.62,;-4.46,2.16,;-5.8,2.93,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;2.21,4.47,;3.54,2.16,;4.87,2.93,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187539 CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C(N)=O |r|
BDBM187540 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ccc2cc(cnc12)C(N)=O |r|
BDBM187541 CC(C)Nc1cc(ncc1C(=O)NCCNC(=O)C(C)(C)OC(C)=O)-n1ccc2cc(cnc12)C#N
BDBM187744 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM187745 CC(C)Nc1cc(ncc1C(=O)N[C@@H]1CC[C@H](OC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187746 CC(Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N)C(F)(F)F |r|
BDBM187747 CC(C)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187748 CC(C)Nc1cc(ncc1C(=O)NCCC1CC1)-n1ncc2cc(C#N)c(N)nc12
BDBM187749 CC[C@@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM187750 CC(Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12)C(F)(F)F |r|
BDBM50040871 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1cccnc1 |r|
BDBM188893 CC(C)(N)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188894 NC(=O)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188895 CNC(C)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188896 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(CO)cn1
BDBM188897 C[C@@H](N)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O |r|
BDBM188898 C[C@H](N)c1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O |r|
BDBM188926 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188927 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)C#C)C1CCN(CC1)S(C)(=O)=O
BDBM188113 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC(F)(F)C1)-n1ncc2cc(cnc12)C#N |r|
BDBM188925 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)[N+]#[C-])C1CCN(CC1)S(C)(=O)=O
BDBM188928 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cn1
BDBM188929 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cc(cnc23)C2CC2)n(n1)-c1ccc(C)cn1
BDBM188930 Cc1ccc(cc1)-c1cc(NC(=O)c2cnn3cc(Cl)cnc23)n(n1)-c1ccc(C)cn1
BDBM189095 Cc1nc(C)c(s1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189096 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(F)c(F)c1
BDBM189097 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(F)cc1
BDBM189098 COc1ccc(cc1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189099 CC(C)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189100 CCCCS(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM187544 CC(C)Nc1cc(ncc1C(=O)NCCNC(=O)C(C)(C)O)-n1ccc2cc(cnc12)C#N
BDBM187545 COC[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ccc2cc(cnc12)C#N |r|
BDBM187550 CO[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(ccc12)C#N |r|
BDBM187751 CC(C)Nc1cc(ncc1C(=O)NCCC1CC1)-n1ncc2cc(cnc12)C#N
BDBM187752 CC(C)CCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
BDBM187753 CC(C)Nc1cc(ncc1C(=O)Nc1cnn(CC(C)(C)O)c1)-n1ncc2cc(cnc12)C#N
BDBM187754 CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
BDBM187755 CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)NS(C)(=O)=O)-n1ncc2cc(cnc12)C#N
BDBM187756 CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)F)-n1ncc2cc(C#N)c(N)nc12
BDBM187757 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1ncc2cc(cnc12)C#N |r|
BDBM188018 CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-10.33,2.04,;-9,2.81,;-9,4.35,;-10.33,3.58,;-7.66,2.04,;-7.66,.5,;-6.33,-.27,;-4.99,.5,;-4.99,2.04,;-6.33,2.81,;-3.66,-.27,;-2.33,.5,;-2.33,2.04,;-.99,-.27,;-.99,-1.81,;.34,-2.58,;1.67,-1.81,;1.67,-.27,;.34,.5,;.34,2.04,;1.67,2.81,;3.16,2.41,;3.56,3.89,;2.07,4.29,;3.01,-2.58,;3.25,-4.1,;4.77,-4.35,;5.47,-2.97,;6.96,-2.58,;7.35,-1.09,;6.27,0,;4.78,-.4,;4.38,-1.88,;8.84,-.69,;10.33,-.29,)|
BDBM188019 CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(Cl)cnc12 |r,wU:7.10,wD:4.3,(-9.59,2.04,;-8.25,2.81,;-8.25,4.35,;-9.59,3.58,;-6.92,2.04,;-6.92,.5,;-5.58,-.27,;-4.25,.5,;-4.25,2.04,;-5.58,2.81,;-2.92,-.27,;-1.58,.5,;-1.58,2.04,;-.25,-.27,;-.25,-1.81,;1.08,-2.58,;2.42,-1.81,;2.42,-.27,;1.08,.5,;1.08,2.04,;2.42,2.81,;3.9,2.41,;4.3,3.89,;2.82,4.29,;3.75,-2.58,;3.99,-4.1,;5.51,-4.35,;6.21,-2.97,;7.7,-2.58,;8.1,-1.09,;9.59,-.69,;7.01,0,;5.52,-.4,;5.12,-1.88,)|
BDBM188020 CC(C)CCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
BDBM188021 Nc1nc2n(ncc2cc1C#N)-c1cc(NC2COC2)c(cn1)C(=O)NCCC1CC1
BDBM188022 CCCCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(C#N)c(N)nc12
BDBM188023 CC(C)CCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(C#N)c(N)nc12
BDBM188931 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCNCC1
BDBM188932 CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM188121 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N
BDBM188935 CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cn1)C1CC1
BDBM188936 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCOCC1
BDBM189101 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(F)cc1F
BDBM189102 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(c1)C(F)(F)F
BDBM189103 COc1ccc(c(OC)c1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189104 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)C1CCCCC1
BDBM189105 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(c1)C#N
BDBM189106 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cnn(C)c1
BDBM187943 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.56,.67,;-8.33,-.66,;-9.1,.67,;-9.66,-1.43,;-7,-1.43,;-7,-2.97,;-5.66,-.66,;-4.33,-1.43,;-2.99,-.66,;-2.99,.88,;-1.66,-1.43,;-1.66,-2.97,;-.33,-3.74,;1.01,-2.97,;1.01,-1.43,;-.33,-.66,;-.33,.88,;1.01,1.65,;1.01,3.19,;2.34,3.96,;3.67,3.19,;3.67,1.65,;2.34,.88,;5.01,3.96,;6.34,3.19,;5.01,5.5,;2.34,-3.74,;2.58,-5.26,;4.1,-5.5,;4.8,-4.13,;6.29,-3.73,;6.69,-2.24,;5.6,-1.15,;4.11,-1.55,;3.71,-3.04,;8.18,-1.84,;9.66,-1.45,)|
BDBM187944 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-n1ccc2cc(cnc12)C#N
BDBM187555 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC(CO)CF)-n1ccc2cc(cnc12)C#N |r|
BDBM187758 CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187759 CC(C)Nc1cc(ncc1C(=O)NCCC1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187760 CC(C)Nc1cc(ncc1C(=O)NCCc1c[nH]cn1)-n1ncc2cc(cnc12)C#N
BDBM187761 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)C)-n1ncc2cc(cnc12)C#N |r|
BDBM187762 CNS(=O)(=O)N1CCC(CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N
BDBM187763 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)OC(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM187764 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(O)(C1CC1)C1CC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188024 CCCCNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N
BDBM188025 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(F)cnc12 |r|
BDBM188026 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCC(F)(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM188899 CS(=O)(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C=O)cn1
BDBM188900 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1COCCN1
BDBM188030 COc1cnc(NC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)cn1
BDBM188031 CC(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cncnc12)N1CCOCC1 |r|
BDBM189038 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cnccn2)C1
BDBM189039 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cn[nH]c2)C1
BDBM189040 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ccn[nH]2)C1
BDBM189041 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2nccs2)C1
BDBM189042 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ccccn2)C1
BDBM189043 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ccncc2)C1
BDBM189107 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cn(C)cn1
BDBM189108 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc2ccccc2c1
BDBM189109 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccccc1F
BDBM189110 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(F)c1
BDBM189111 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(cc1)C#N
BDBM189112 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(cc1)C(F)(F)F
BDBM187953 CC(C)CC(O)[C@H](C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187559 CNC(=O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r|
BDBM187765 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(cnc12)C#N |r,wU:7.10,wD:4.3,(-11,2.81,;-9.66,2.04,;-8.33,2.81,;-8.33,4.35,;-7,2.04,;-7,.5,;-5.66,-.27,;-4.33,.5,;-4.33,2.04,;-5.66,2.81,;-2.99,-.27,;-1.66,.5,;-1.66,2.04,;-.33,-.27,;-.33,-1.81,;1.01,-2.58,;2.34,-1.81,;2.34,-.27,;1.01,.5,;1.01,2.04,;2.34,2.81,;2.34,4.35,;3.67,2.04,;3.67,-2.58,;3.91,-4.1,;5.44,-4.35,;6.14,-2.97,;7.62,-2.58,;8.02,-1.09,;6.93,0,;5.44,-.4,;5.05,-1.88,;9.51,-.69,;11,-.29,)|
BDBM187766 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O)-n1ncc2cc(C#N)c(N)nc12 |r,wU:13.13,wD:16.20,(2.34,4.35,;2.34,2.81,;3.67,2.04,;1.01,2.04,;1.01,.5,;2.34,-.27,;2.34,-1.81,;1.01,-2.58,;-.33,-1.81,;-.33,-.27,;-1.66,.5,;-1.66,2.04,;-2.99,-.27,;-4.33,.5,;-5.66,-.27,;-7,.5,;-7,2.04,;-5.66,2.81,;-4.33,2.04,;-8.33,2.81,;-9.66,2.04,;-11,2.81,;-9.66,.5,;3.67,-2.58,;3.91,-4.1,;5.44,-4.35,;6.14,-2.97,;7.62,-2.58,;8.02,-1.09,;9.51,-.69,;11,-.29,;6.93,0,;7.33,1.49,;5.44,-.4,;5.05,-1.88,)|
BDBM187767 C[C@@H](CO)Nc1cc(ncc1C(=O)NCCC1CC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187768 CCCCNC(=O)c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
BDBM187769 CC(C)CCNC(=O)c1cnc(cc1N[C@@H](C)CO)-n1ncc2cc(cnc12)C#N |r|
BDBM187770 COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188846 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)C(=O)CO
BDBM188847 CN(C)CCC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
BDBM188032 CC(C)Nc1cc(ncc1C(=O)NCc1nn[nH]n1)-n1ncc2cc(cnc12)C#N
BDBM188033 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)N1CCc2cc(cnc12)C#N |r|
BDBM188035 CC(C)[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188036 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(C)(C)N1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188037 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCc1cocn1)-n1ncc2cc(cnc12)C#N |r|
BDBM189044 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cncnc2)C1
BDBM189045 Cc1cc(CN2CC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)no1
BDBM189046 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cncs2)C1
BDBM189047 COc1ncccc1CN1CC(C1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189048 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cccnc2)C1
BDBM189049 COc1cccc(CN2CC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)n1
BDBM189050 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2ncco2)C1
BDBM189113 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(Cl)nc1
BDBM189114 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(nc1)N1CCOCC1
BDBM189115 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc2ncsc2c1
BDBM189116 COc1cccc(c1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189117 Cc1nc(cn1C)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189118 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1ccccc1
BDBM187954 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](C1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187955 CC(C)COC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187956 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC(C)(C)O)cnc12 |r|
BDBM187957 CCN(CC)C(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187958 CCOC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187959 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)OC(C)C)cnc12 |r|
BDBM187570 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cncnc12 |r|
BDBM187571 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187572 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(Cl)cnc12 |r|
BDBM187573 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
BDBM187771 CC(C)Nc1cc(ncc1C(=O)NC1(C)CC1)-n1ncc2cc(C#N)c(N)nc12
BDBM187772 CC(C)Nc1cc(ncc1C(=O)N[C@H](C)C1CC1)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM187773 CC(C)Nc1cc(ncc1C(=O)NC1CCCCC1)-n1ncc2cc(C#N)c(N)nc12
BDBM187774 CC(C)Nc1cc(ncc1C(=O)NC1(CC1)[N+]#[C-])-n1ncc2cc(C#N)c(N)nc12
BDBM187775 CCCNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(C#N)c(N)nc12
BDBM187776 CC(C)Nc1cc(ncc1C(=O)NC1CCC=C1)-n1ncc2cc(C#N)c(N)nc12 |c:17|
BDBM187777 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](C)F)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188004 CCOC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188836 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(N)cc1
BDBM188837 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(NS(C)(=O)=O)cc1
BDBM188838 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCNCC1
BDBM188848 CCN(CC)CCC(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cc(Br)cnc23)n(n1)-c1ccc(C)cc1
BDBM188903 Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCNCC1
BDBM188040 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM188041 CC(F)(CO)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188042 CC(C)(C)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188043 CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188044 CCCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188045 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(N)nc12 |r|
BDBM189051 COc1ncc(CN2CC(C2)c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)cn1
BDBM189052 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CN(Cc2cocn2)C1
BDBM189053 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCCC1
BDBM189054 Cc1ccc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)N1CCN(CC1)C1CCCC1
BDBM189055 CC(C)CN1CCN(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM189057 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cnn(C)c1
BDBM189119 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccnc1Cl
BDBM189120 COc1ccc(cn1)S(=O)N1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189121 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1c(Cl)cccc1Cl
BDBM189122 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(Cl)cc1Cl
BDBM189123 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1cccnc1
BDBM189124 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1ccc(Cl)s1
BDBM187960 CC(C)CC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187961 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC3CCCC3)cnc12 |r|
BDBM187962 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)C3CC3)cnc12 |r|
BDBM187963 C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187964 C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r|
BDBM187965 CCCOC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187576 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(cnc12)C#N |r,wU:4.3,wD:7.10,(-11.13,2.93,;-9.8,2.16,;-8.46,2.93,;-8.46,4.47,;-7.13,2.16,;-5.8,2.93,;-4.46,2.16,;-4.46,.62,;-5.8,-.15,;-7.13,.62,;-3.13,-.15,;-1.79,.62,;-1.79,2.16,;-.46,-.15,;-.46,-1.69,;.87,-2.46,;2.21,-1.69,;2.21,-.15,;.87,.62,;.87,2.16,;2.21,2.93,;3.75,2.93,;2.98,4.27,;3.54,-2.46,;3.54,-4,;5,-4.47,;5.91,-3.23,;7.44,-3.07,;8.07,-1.66,;7.16,-.41,;5.63,-.57,;5,-1.98,;9.6,-1.5,;11.13,-1.34,)|
BDBM187577 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187580 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cncnc12 |r|
BDBM187778 CC(C)Nc1cc(ncc1C(=O)NCC(F)C1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187779 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1ncc2cc(Cl)cnc12 |r|
BDBM187780 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CC1)-n1ncc2cc(cnc12)C#N
BDBM187781 CC(C)Nc1cc(ncc1C(=O)NCCC(C)(F)F)-n1ncc2cc(cnc12)C#N
BDBM187782 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1cnc2cc(cnc12)C#N |r|
BDBM188007 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCOC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188009 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188046 CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(N)nc12 |r|
BDBM188047 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1(F)CCC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188048 C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188049 C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188051 CC(C)(CN)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188052 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCNS(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r|
BDBM188904 Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM189058 CN1CCN(CC1)c1cncc(c1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189059 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnc(CN2CCCCC2)c1
BDBM189060 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnc(CO)c1
BDBM189061 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(CO)nc1
BDBM189062 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccnn1C
BDBM189063 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cncc(CO)c1
BDBM189064 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cnn(CCS(C)(=O)=O)c1
BDBM189125 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc(n1)C(F)(F)F
BDBM189126 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)CCc1ccccc1
BDBM189127 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)c1cccc2cccnc12
BDBM189128 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)Cc1ccccn1
BDBM189129 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(cc1F)C1CC1
BDBM189130 CN1CCC(CC1)c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cn1
BDBM50095532 Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)F |r|
BDBM187966 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1C[C@@H](C1)C(C)(C)O)-n1ccc2cc(cnc12)C#N |r,wU:4.4,19.22,wD:17.17,(-7.56,.9,;-8.33,-.43,;-9.1,.9,;-9.66,-1.2,;-7,-1.2,;-7,-2.74,;-5.66,-.43,;-4.33,-1.2,;-2.99,-.43,;-2.99,1.11,;-1.66,-1.2,;-1.66,-2.74,;-.33,-3.51,;1.01,-2.74,;1.01,-1.2,;-.33,-.43,;-.33,1.11,;1.01,1.88,;2.49,1.48,;2.89,2.97,;1.41,3.36,;4.23,3.74,;4.23,5.28,;5.56,2.97,;5.56,4.51,;2.34,-3.51,;2.58,-5.03,;4.1,-5.28,;4.8,-3.9,;6.29,-3.51,;6.69,-2.02,;5.6,-.93,;4.11,-1.33,;3.71,-2.81,;8.18,-1.62,;9.66,-1.22,)|
BDBM187967 CCCC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187968 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC3CCCCC3)cnc12 |r|
BDBM187969 CC(C)CCC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187970 CCCNC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187971 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)NCc3ccccc3)cnc12 |r|
BDBM187581 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1ncc2cc(cnc12)C#N |r|
BDBM187582 CC(C)Nc1cc(ncc1C(=O)NCCC(C)(C)O)-n1ncc2cc(cnc12)C#N
BDBM187583 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC(F)(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM187584 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(2.87,2.16,;1.54,2.93,;1.54,4.47,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-9.13,4.47,;-10.46,2.16,;-10.46,3.7,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
BDBM187585 CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cncnc12 |r|
BDBM187586 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r,wU:13.13,wD:16.20,(3.64,2.16,;2.3,2.93,;2.3,4.47,;.97,2.16,;.97,.62,;2.3,-.15,;2.3,-1.69,;.97,-2.46,;-.36,-1.69,;-.36,-.15,;-1.7,.62,;-1.7,2.16,;-3.03,-.15,;-4.36,.62,;-5.7,-.15,;-7.03,.62,;-7.03,2.16,;-5.7,2.93,;-4.36,2.16,;-8.36,2.93,;-8.36,4.47,;-9.7,2.16,;-9.7,3.7,;3.64,-2.46,;3.64,-4,;5.1,-4.47,;6.01,-3.23,;7.54,-3.07,;8.17,-1.66,;9.7,-1.5,;7.26,-.41,;5.73,-.57,;5.1,-1.98,)|
BDBM187786 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cnc(NC[C@@H](F)C(C)(C)O)nc12 |r|
BDBM187790 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC1)-n1cnc2cc(cnc12)C#N |r|
BDBM187791 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cc(Cl)cnc12 |r|
BDBM187792 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1cnc2cc(Cl)cnc12 |r|
BDBM188010 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCOC1)-n1ncc2cc(F)cnc12 |r|
BDBM188839 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(NC=O)cnc12)C1CCNCC1
BDBM188840 COc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(cnc12)C1CC1)C1CCNCC1
BDBM188841 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCNCC1
BDBM188853 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cc(Br)cnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188053 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCNC(=O)OC(C)(C)C(F)(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM188054 CC[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188055 CC[C@@H](CO)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
BDBM188056 C[C@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188057 C[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188059 COC(C)(C)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM189065 Cc1nocc1-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189066 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1csc(n1)N1CCOCC1
BDBM189067 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1)S(=O)(=O)C1CC1
BDBM189068 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(=O)n(C)c1
BDBM189069 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1C(F)(F)F)S(C)(=O)=O
BDBM189070 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1c(F)cccc1OCc1ccccc1
BDBM187972 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)Cc3ccccc3)cnc12 |r|
BDBM187973 CCCCNC(=O)NCc1cnc2n(ccc2c1)-c1cc(NC(C)C)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM187974 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(O)c1)-n1ccc2cc(cnc12)C#N |r|
BDBM187975 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC3CCOCC3)cnc12 |r|
BDBM187976 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)CC(C)(C)C)cnc12 |r|
BDBM187977 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cc(CNC(=O)C3CCOC3)cnc12 |r|
BDBM187587 CC(C)(O)CCNC(=O)c1cnc(cc1NC1CCOCC1)-n1ncc2cc(cnc12)C#N
BDBM187588 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC(C)C)-n1ncc2cc(Cl)cnc12 |r,wU:7.10,wD:4.3,(-10.36,2.93,;-9.03,2.16,;-7.7,2.93,;-7.7,4.47,;-6.36,2.16,;-6.36,.62,;-5.03,-.15,;-3.7,.62,;-3.7,2.16,;-5.03,2.93,;-2.36,-.15,;-1.03,.62,;-1.03,2.16,;.3,-.15,;.3,-1.69,;1.64,-2.46,;2.97,-1.69,;2.97,-.15,;1.64,.62,;1.64,2.16,;2.97,2.93,;2.97,4.47,;4.31,2.16,;4.31,-2.46,;4.31,-4,;5.77,-4.47,;6.68,-3.23,;8.21,-3.07,;8.83,-1.66,;10.36,-1.5,;7.93,-.41,;6.4,-.57,;5.77,-1.98,)|
BDBM187590 CC(C)Nc1cc(ncc1C(=O)NCCN1CCOCC1)-n1ncc2cc(Cl)cnc12
BDBM187591 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C)cnc12 |r|
BDBM187592 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ncc2cc(F)cnc12 |r|
BDBM187593 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(F)cnc12 |r|
BDBM187793 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1cnc2cc(C#N)c(N)nc12 |r|
BDBM187794 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1cnc2cc(cnc12)C#N |r|
BDBM187795 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1(C)CC1)-n1cnc2cc(cnc12)C#N |r|
BDBM187796 CC(C)(F)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1cnc2cc(cnc12)C#N |r|
BDBM187797 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCOCC1)-n1cnc2cc(cnc12)C#N |r|
BDBM187798 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)F)-n1cnc2cnc(N)nc12 |r|
BDBM187799 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cnn(CC(F)F)c1)-n1ncc2cc(cnc12)C#N |r|
BDBM188012 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)N1CCc2cc(cnc12)C#N |r|
BDBM188906 Cc1cnc(cn1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(C)(=O)=O
BDBM188061 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCCF)-n1ncc2cc(cnc12)C#N |r|
BDBM188063 CC(C)C(O)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188064 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCCOC(F)F)-n1ncc2cc(cnc12)C#N |r|
BDBM188065 CC(C)(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(C#N)c(N)nc12 |r|
BDBM188066 CC(C)(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188905 Cc1cnc(nc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)S(=O)(=O)C1CC1
BDBM189071 CCN(CC)S(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)c(C)c1
BDBM189072 CC(C)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189073 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189074 CCN(CC)S(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189075 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(cc1)S(=O)(=O)N1CCC1
BDBM189076 CN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(n2)-c2ccc(C)cc2)c(C)c1
BDBM187978 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ncc(s1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187982 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(c1)C#N)-n1ncc2cc(cnc12)C#N |r|
BDBM187983 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)C#N)-n1ncc2cc(cnc12)C#N |r|
BDBM187984 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncsc2c1)-n1ncc2cc(cnc12)C#N |r|
BDBM187594 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Br)cnc12 |r|
BDBM187595 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@H](O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.21,(-9.8,-.53,;-8.46,.24,;-8.46,1.78,;-9.8,1.01,;-7.13,-.53,;-7.13,-2.07,;-5.8,.24,;-4.46,-.53,;-3.13,.24,;-3.13,1.78,;-1.79,-.53,;-1.79,-2.07,;-.46,-2.84,;.87,-2.07,;.87,-.53,;-.46,.24,;-.46,1.78,;.87,2.55,;.87,4.09,;2.21,4.86,;3.54,4.09,;4.87,4.86,;3.54,2.55,;2.21,1.78,;2.21,-2.84,;2.21,-4.38,;3.67,-4.86,;4.58,-3.61,;6.11,-3.45,;6.73,-2.04,;5.83,-.8,;4.3,-.96,;3.67,-2.37,;8.27,-1.88,;9.8,-1.72,)|
BDBM187597 CC(C)Nc1cc(ncc1C(=O)N[C@H]1CC[C@@H](CC1)S(C)(=O)=O)-n1ncc2cc(cnc12)C#N |r,wU:13.13,wD:16.20,(1.54,4.47,;1.54,2.93,;2.87,2.16,;.21,2.16,;.21,.62,;1.54,-.15,;1.54,-1.69,;.21,-2.46,;-1.13,-1.69,;-1.13,-.15,;-2.46,.62,;-2.46,2.16,;-3.8,-.15,;-5.13,.62,;-6.46,-.15,;-7.8,.62,;-7.8,2.16,;-6.46,2.93,;-5.13,2.16,;-9.13,2.93,;-10.46,2.16,;-8.36,4.27,;-9.9,4.27,;2.87,-2.46,;2.87,-4,;4.34,-4.47,;5.24,-3.23,;6.77,-3.07,;7.4,-1.66,;6.5,-.41,;4.96,-.57,;4.34,-1.98,;8.93,-1.5,;10.46,-1.34,)|
BDBM187997 COc1cnc(nc1)N1CC[C@H](C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM187998 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)c1ncccn1)-n1ncc2cc(cnc12)C#N |r|
BDBM187999 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]1CCN(C1)C(=O)c1ccc(F)cc1F)-n1ncc2cc(cnc12)C#N |r|
BDBM188000 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
BDBM188001 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCN(CC1)c1ncc(F)cn1)-n1ncc2cc(cnc12)C#N |r|
BDBM188013 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(F)cnc12 |r|
BDBM188014 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(Cl)cnc12 |r|
BDBM188015 CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1NC1COC1)-n1ncc2cc(cnc12)C#N |r,wU:5.8,wD:2.1,(-10.33,2.06,;-9,2.83,;-7.66,2.06,;-7.66,.52,;-6.33,-.25,;-4.99,.52,;-4.99,2.06,;-6.33,2.83,;-3.66,-.25,;-2.33,.52,;-2.33,2.06,;-.99,-.25,;-.99,-1.79,;.34,-2.56,;1.67,-1.79,;1.67,-.25,;.34,.52,;.34,2.06,;1.67,2.83,;3.16,2.43,;3.56,3.92,;2.07,4.32,;3.01,-2.56,;3.25,-4.08,;4.77,-4.32,;5.47,-2.95,;6.96,-2.55,;7.35,-1.06,;6.27,.03,;4.78,-.37,;4.38,-1.86,;8.84,-.66,;10.33,-.26,)|
BDBM188067 CC(C)(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N)OC(F)F |r|
BDBM188068 CC[C@@H](F)CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12 |r|
BDBM188069 CC(C)(CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(Cl)cnc12)OC(F)F |r|
BDBM188070 CC(F)CCNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM188071 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NCC1CC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188072 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.23,.8,;-8.46,-.53,;-7.69,.8,;-9.8,-1.3,;-7.13,-1.3,;-7.13,-2.84,;-5.8,-.53,;-4.46,-1.3,;-3.13,-.53,;-3.13,1.01,;-1.79,-1.3,;-1.79,-2.84,;-.46,-3.61,;.87,-2.84,;.87,-1.3,;-.46,-.53,;-.46,1.01,;.87,1.78,;.87,3.32,;2.21,4.09,;3.54,3.32,;3.54,1.78,;2.21,1.01,;4.87,4.09,;4.87,5.63,;6.21,3.32,;6.21,4.86,;2.21,-3.61,;2.21,-5.15,;3.67,-5.63,;4.58,-4.38,;6.11,-4.22,;6.73,-2.81,;5.83,-1.57,;4.3,-1.73,;3.67,-3.14,;8.27,-2.65,;9.8,-2.49,)|
BDBM189077 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1cccc(NS(C)(=O)=O)c1
BDBM189078 CNS(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189079 CNC(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189080 CN(C)C(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189081 CNC(=O)c1cccc(c1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM189082 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccc(nc1)S(C)(=O)=O
BDBM189083 CCS(=O)(=O)c1ccc(cc1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM187985 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc2ncoc2c1)-n1ncc2cc(cnc12)C(N)=O |r|
BDBM187986 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1ccc(cc1)-n1cncn1)-n1ncc2cc(cnc12)C#N |r|
BDBM187988 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1Nc1cccc(C#N)c1F)-n1ncc2cc(cnc12)C#N |r|
BDBM187990 Cc1nnc(s1)-c1ccc(Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O)-n2ncc3cc(cnc23)C#N)cc1 |r|
BDBM187599 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CCC(F)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,(-9.8,-.53,;-8.46,.24,;-8.46,1.78,;-9.8,1.01,;-7.13,-.53,;-7.13,-2.07,;-5.8,.24,;-4.46,-.53,;-3.13,.24,;-3.13,1.78,;-1.79,-.53,;-1.79,-2.07,;-.46,-2.84,;.87,-2.07,;.87,-.53,;-.46,.24,;-.46,1.78,;.87,2.55,;.87,4.09,;2.21,4.86,;3.54,4.09,;4.87,4.86,;3.54,2.55,;2.21,1.78,;2.21,-2.84,;2.21,-4.38,;3.67,-4.86,;4.58,-3.61,;6.11,-3.45,;6.73,-2.04,;5.83,-.8,;4.3,-.96,;3.67,-2.37,;8.27,-1.88,;9.8,-1.72,)|
BDBM187701 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCCC1)-n1ncc2cc(cnc12)C#N
BDBM187702 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCN(CC1)C1COC1)-n1ncc2cc(cnc12)C#N
BDBM187703 COC1CCN(CC1)c1ccc(NC(=O)c2cnc(cc2NC(C)C)-n2ncc3cc(cnc23)C#N)nc1
BDBM187704 CC(C)Nc1cc(ncc1C(=O)NCCC1(O)CCNC1)-n1ncc2cc(cnc12)C#N
BDBM187705 CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(=O)N1CCOCC1)-n1ncc2cc(cnc12)C#N |r|
BDBM188002 CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CN(C1)c1ncc(Cl)cn1)-n1ncc2cc(cnc12)C#N |r|
BDBM188003 COC(=O)N1CC(C1)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ncc2cc(cnc12)C#N |r|
BDBM203287 CNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2-c2nnc(s2)C(=O)N2CC[C@@H](O)C2)cc1
BDBM203288 CCOC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
BDBM203289 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(=O)NCCCN2CCCCC2)c(C)s1
BDBM203290 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCN(CC1)c1ccc(F)cc1F
BDBM203291 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM203292 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCC1CCCCC1
BDBM203478 OC[C@H]1C[C@@H](Nc2nc(OC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203479 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CC3(CNC3)C2)[C@H](O)[C@@H]1O |r|
BDBM203480 CC1(CCC1)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203481 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
BDBM203482 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
BDBM203483 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
BDBM203545 Cc1cnc(s1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203546 FC(F)(F)Oc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203547 O=c1[nH]c(nc(N[C@@H]2CCCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203548 O[C@H]1CNC[C@@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203549 O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203550 CC1CCC(CN1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203485 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nccs2)[C@H](O)[C@@H]1O |r|
BDBM203484 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2ccccn2)[C@H](O)[C@@H]1O |r|
BDBM203551 O[C@@H]1CCC[C@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203552 Cc1cccc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203553 Cc1ccc(nc1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203554 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2c(nccc2s1)C1CC1)N1CCOCC1 |r|
BDBM203555 Fc1ccc2nc(sc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203556 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cnccc2s1)N1CCOCC1 |r|
BDBM203293 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCC1CCCO1
BDBM203294 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NC[C@H](O)c1ccccc1
BDBM203295 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(cs1)C(=O)NCCCN1CCCC1
BDBM203296 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(NC(=O)OC(C)(C)C)c(C)o1
BDBM203297 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(co1)C(N)=O
BDBM203298 CC(C)Nc1cc(Nc2ccc(cc2)C#N)ncc1-c1nnc(NC[C@@H](F)CO)o1
BDBM203486 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2cscn2)[C@H](O)[C@@H]1O |r|
BDBM203487 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
BDBM203488 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCCC2)[C@H](O)[C@@H]1O |r|
BDBM203489 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
BDBM203490 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(F)(F)CC2)[C@H](O)[C@@H]1O |r|
BDBM203491 CN1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203557 O=c1[nH]c(nc(NC2CCCNC2)c1-c1ccc2ccccc2n1)N1CCCC1
BDBM203558 O=c1[nH]c(nc(NC2CCCNC2)c1-c1ccc2ccccc2n1)N1CCCCC1
BDBM203559 CN1CCN(CC1)c1nc(NC2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1
BDBM203560 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2c(nccc2s1)C1CC1)N1CCCCC1 |r|
BDBM203561 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2c(nccc2s1)C1CC1)N1CCCC1 |r|
BDBM203562 CS(=O)(=O)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3c(nccc3s2)C2CC2)c(=O)[nH]1 |r|
BDBM203299 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(NC2CNC2)o1
BDBM203300 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCO)CC1
BDBM203301 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)N1CCN(CCN2CCOCC2)CC1
BDBM203302 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1ccc(F)c(c1)S(=O)(=O)NC(C)(C)C
BDBM203303 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)-c1cccc(c1)C(N)=O
BDBM203304 NC(=O)c1nnc(o1)-c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1
BDBM203493 CN(C)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203494 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC2)[C@H](O)[C@@H]1O |r|
BDBM203495 Cc1csc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203496 Cc1csc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCC(CC1)C(F)(F)F |r|
BDBM203497 Cc1cccc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203563 CN1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3c(nccc3s2)C2CC2)c(=O)[nH]1 |r|
BDBM203305 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)C(=O)N1CCC(N)CC1
BDBM203306 COc1cccc(n1)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
BDBM203307 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1ccc2cn[nH]c2c1
BDBM203498 Cc1cccc(n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCCCC1 |r|
BDBM203499 OC[C@H]1C[C@@H](Nc2nc(NC3CNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203500 OC[C@H]1C[C@@H](Nc2nc(NC3CCNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203501 OC[C@H]1C[C@@H](Nc2nc(N[C@@H]3CCCNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203502 OC[C@H]1C[C@@H](Nc2nc(N[C@H]3CCCNC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203503 COCCCNc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203504 C[C@]1(O)[C@@H](C[C@H](CO)[C@H]1O)Nc1nc(NC2CCC2)[nH]c(=O)c1-c1nc2ccccc2s1 |r|
BDBM203505 CC(C)[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
BDBM203506 CC(C)[C@H]1C[C@@H](Nc2nc[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203507 CC(C)[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cncnc2)[C@H](O)[C@@H]1O |r|
BDBM203508 CC(C)(O)[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203509 C[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
BDBM50140265 CC(Oc1nc(cnc1N)-c1ccc2nc(NC(C)=O)cn2c1)C(F)(F)F
BDBM203510 C[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
BDBM203511 O[C@@H]1CC[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@@H]1O |r|
BDBM203512 OC[C@@H](O)CNc1nc(NC2CCC2)[nH]c(=O)c1-c1nc2ccccc2s1 |r|
BDBM203513 Cc1cc(Nc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)cc(C)n1 |r|
BDBM203514 OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203515 OC[C@H]1C[C@@H](Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203516 OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203517 OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203518 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203519 Cc1nccc2sc(nc12)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203520 Cc1cc2sc(nc2c(C)n1)-c1c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203521 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc(cs2)-c2ccc(F)cc2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
BDBM203522 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc(cs2)-c2ccc(F)cc2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
BDBM203523 CSc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203524 CCc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203525 Cc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203526 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203527 O=c1[nH]c(nc(N[C@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203528 O=c1[nH]c(nc(NC2CCNC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203529 O=c1[nH]c(nc(N[C@H]2CCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203530 O=c1[nH]c(nc(N[C@@H]2CCNC2)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203531 O=c1[nH]c(nc(NC2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203532 O=C1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203533 NC1CCCC(C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203534 O=C1NCCCC[C@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203535 O=c1[nH]c(nc(NC2CCCCNC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203536 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CCOCC1 |r|
BDBM203537 Cc1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203538 CN1CCC[C@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203539 OC1CCCC(C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203540 Fc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203541 Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203542 Cc1nccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203463 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203465 Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203466 OC[C@H]1C[C@@H](Nc2nc(NC3CC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203467 OC[C@H]1C[C@@H](Nc2nc(NC3CCCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203468 CC(C)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203469 OC[C@H]1C[C@@H](Nc2nc(NC3CCCCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203470 OC[C@H]1C[C@@H](Nc2[nH]c(=O)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203471 OC[C@H]1C[C@@H](Nc2nc(NC3CCOCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203472 OC[C@H]1C[C@@H](Nc2nc(NC3CC(F)(F)C3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203282 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc[nH]1
BDBM203283 CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@@H](O)C1
BDBM203286 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(C1)NC(C)=O
BDBM203473 CS(=O)(=O)N1CCC(CC1)Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203474 OC[C@H]1C[C@@H](Nc2nc(NC3COC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM203476 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CC3(COC3)C2)[C@H](O)[C@@H]1O |r|
BDBM203477 CS(=O)(=O)N1CC2(CN(C2)c2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
BDBM203543 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc(cs1)C1CC1)N1CCOCC1 |r|
BDBM203544 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nccs1)N1CCOCC1 |r|
BDBM203616 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CC2CC1CS(=O)(=O)C2 |r|
BDBM203617 FC1CN(C[C@@H]1F)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203618 COC1(C)CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203619 F[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203620 CO[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203621 OC[C@@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203804 N[C@H]1CCCC[C@H]1Nc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203805 NCCNc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203807 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cncnc2)[C@H](O)[C@@H]1O |r|
BDBM50108078 Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM50108079 COc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM50108080 OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
BDBM50108081 OC[C@H]1C[C@@H](Nc2nc(NC3CC3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50108082 CN(C)c1cccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)c1 |r|
BDBM50108084 OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50108085 OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc3cnccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50102675 COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102676 COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
BDBM50102677 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
BDBM50102678 CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
BDBM203622 OC[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203623 CC1(O)CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203624 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CCCC1c1ccncc1 |r|
BDBM203625 FC[C@@H]1CCCN1c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203626 CC(C)(O)C1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203627 CN1CCC2CCN(C2C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203809 CN1CCC2(CCN(CC2)c2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1=O |r|
BDBM203810 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)n2ccnn2)[C@H](O)[C@@H]1O |r|
BDBM203812 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cnccn2)[C@H](O)[C@@H]1O |r|
BDBM203813 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2cccnc2)[C@H](O)[C@@H]1O |r|
BDBM50108086 CN(C)c1ccc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
BDBM50108087 Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM203628 COC1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203629 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CCC(CC1)c1ccccc1 |r|
BDBM203630 Cc1ccccc1C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203631 COc1ccccc1C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203632 FC(F)(F)c1ccccc1C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203814 CS(=O)(=O)C1CN(C1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203815 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2ccncc2)[C@H](O)[C@@H]1O |r|
BDBM203816 CN(N)\C=C(/N)C1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203817 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCc3cnccc3C2)[C@H](O)[C@@H]1O |r|
BDBM203633 Cc1nsc(n1)C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203634 Cc1cc([nH]n1)C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203635 Fc1cccc(n1)C1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203636 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CC2CC1CN2 |r|
BDBM203637 COc1ccc(cc1)N1CC2CC1CN2c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203819 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(C2)c2ccncc2)[C@H](O)[C@@H]1O |r|
BDBM203822 NC(=O)CNCC1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203823 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(Cn3cccn3)CC2)[C@H](O)[C@@H]1O |r|
BDBM203638 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2o1)N1CCOCC1 |r|
BDBM203639 CC(C)(C)c1cccc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203640 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cncc(n1)-n1cccc1)N1CCOCC1 |r|
BDBM203641 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccccn1)N1CCOCC1 |r|
BDBM203642 FC(F)(F)c1cccc(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203643 Fc1ccccc1-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203824 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC3(CC2)NCC(=O)O3)[C@H](O)[C@@H]1O |r|
BDBM203825 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(C2)c2ccccn2)[C@H](O)[C@@H]1O |r|
BDBM203565 C[C@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1 |r|
BDBM203564 C[C@@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1 |r|
BDBM203644 Clc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203645 Fc1cc(F)cc(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203646 Fc1cccc(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203647 Fc1ccc(F)c(c1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203648 FC(F)(F)c1ccc(nc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203649 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc(cs1)-c1ccccn1)N1CCOCC1 |r|
BDBM203566 C[C@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203567 C[C@@H]1CC[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203650 O=c1[nH]c(nc(NC2CN3CCC2CC3)c1-c1nc2ccccc2s1)N1CCOCC1 |(1.04,3.8,;1.04,2.26,;2.37,1.49,;2.37,-.05,;1.04,-.82,;-.29,-.05,;-1.63,-.82,;-1.63,-2.36,;-.29,-3.13,;-.29,-4.67,;-1.63,-5.44,;-2.96,-4.67,;-2.96,-3.13,;-2.19,-4.47,;-1.06,-3.34,;-.29,1.49,;-1.63,2.26,;-3.03,1.63,;-4.06,2.78,;-5.6,2.78,;-6.37,4.11,;-5.6,5.44,;-4.06,5.44,;-3.29,4.11,;-1.79,3.79,;3.71,-.82,;3.71,-2.36,;5.04,-3.13,;6.37,-2.36,;6.37,-.82,;5.04,-.05,)|
BDBM203651 C[C@H]1C[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203652 C[C@@H]1C[C@H](CN1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203653 O=c1[nH]c(nc(N[C@@H]2C[C@@H]3CN[C@H]2C3)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203654 FC1(F)CNC[C@@H](C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203655 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-n1cccc1)N1CCOCC1 |r|
BDBM203568 OCC1COCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203569 CC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203570 C[C@@H]1COCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203571 C[C@H]1COCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203572 OCCC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203573 FC(F)(F)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203656 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cccc(n1)-n1cccc1)N1CCOCC1 |r|
BDBM203657 O=C1CCCN1c1cccc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203658 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-n1cccn1)N1CCOCC1 |r|
BDBM203659 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-c1ccccc1)N1CCOCC1 |r|
BDBM203660 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1csc(n1)-n1ccnc1)N1CCOCC1 |r|
BDBM203574 CC1(C)CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203575 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1ccccn1 |r|
BDBM203576 FC(F)(F)c1cnc(N2CCN(CC2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)c(Cl)c1 |r|
BDBM203577 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1cnccn1 |r|
BDBM203578 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203664 Fc1cnc(nc1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203579 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1ncccn1 |r|
BDBM203580 Clc1cccc(n1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203581 Cc1nonc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203582 FC(F)(F)c1cn2CCN(Cc2n1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203583 COc1ccc(nc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203766 O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)N1CC2(COC2)C1
BDBM203767 NC(=O)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203768 CC1(CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1)c1ccc(Cl)cc1 |r|
BDBM203769 OC(=O)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203770 CCOC(=O)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203584 COc1ccnc(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203585 COc1cccc(n1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203586 Clc1ccc(nc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203587 Clc1ccnc(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203588 Fc1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203772 O=C(NC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1)OCc1ccccc1 |r|
BDBM203773 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(C2)c2ncccn2)C1 |r|
BDBM203774 CN1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
BDBM203775 CC(=O)N1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
BDBM203776 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(Cc3ccccc3)C2)C1 |r|
BDBM203589 CS(=O)(=O)c1ccc(N2CCN(CC2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)c(Cl)c1 |r|
BDBM203590 FC(F)(F)c1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203591 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1nccs1 |r|
BDBM203592 CS(=O)(=O)c1cc(F)ccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203593 Clc1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203777 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(C2)S(=O)(=O)c2ccccc2)C1 |r|
BDBM203778 Nc1ccc2CCN(Cc2c1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203779 COc1ccc(cc1)N1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
BDBM203780 Clc1ccc(cc1)N1CCC2(CCN(C2)c2nc(N[C@@H]3CCCNC3)c(-c3nc4ccccc4s3)c(=O)[nH]2)C1 |r|
BDBM203781 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC(CC1)NCc1ccccc1 |r|
BDBM203594 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203595 Clc1ccc(cc1Cl)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203596 COc1ccc(cc1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203597 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1ccc2OCOc2c1 |r|
BDBM203598 CS(=O)(=O)c1ccccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203782 CC(=O)NC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203784 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CNC2)CC1 |r|
BDBM203785 CC(C)(C)OC(=O)N1CC2(C1)CCN(CC2)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203786 FC(F)(F)c1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203599 Cc1cc(sn1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203600 Cc1cnccc1N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203601 Cn1cc(cn1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203602 Cc1cnc(C)c(n1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203603 COc1ccc(OC)c(c1)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203787 FC(F)(F)c1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203788 Clc1cccc2nc(sc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203789 Cc1cccc2nc(sc12)-c1c(NC2CCCNC2)nc([nH]c1=O)N1CCOCC1
BDBM203791 CC(C)(C)c1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203792 Clc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM50107847 Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM50107848 Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
BDBM50107849 OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)ccc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50107851 COc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)ccn1 |r|
BDBM203604 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1nnc(o1)C1CC1 |r|
BDBM203605 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCN(CC1)c1nncs1 |r|
BDBM203606 CN(C)[C@@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203607 CC(=O)NC1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203608 CN(C)[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203609 OC1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203793 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cccc(C3CC3)c2s1)N1CCOCC1 |r|
BDBM203794 Brc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203796 NC(=O)c1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM203797 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cc(ccc2s1)C#N)N1CCOCC1 |r|
BDBM203798 Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCN(CC1)c1cccnc1 |r|
BDBM50107852 Cc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)cc(C)n1 |r|
BDBM50107855 OC[C@H]1C[C@@H](Nc2cc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50107864 Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc(C)n1 |r|
BDBM50107865 CC(C)n1ccc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc1=O |r|
BDBM50107866 CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|
BDBM50107893 OC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(OC4CC4)c3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
BDBM50107915 COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|
BDBM50102661 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O
BDBM50102662 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
BDBM50102663 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
BDBM50102664 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
BDBM50102665 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
BDBM203610 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc2ccccc2n1)N1CC2CC2C1 |r|
BDBM203611 CS(=O)(=O)C1CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203612 OC1(CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1)C(F)(F)F |r|
BDBM203613 CC1(O)CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203614 CC(C)(O)C1CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203615 COC1CN(C[C@@H]1O)c1nc(N[C@@H]2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1 |r|
BDBM203799 Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCN(CC1)c1ncccn1 |r|
BDBM203800 Fc1ccc(cc1)-c1csc(n1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCc2ccccc2C1 |r|
BDBM50108011 OC[C@H]1C[C@@H](Nc2nc(Nc3cncnc3)ncc2-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
BDBM50108012 COc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM50108013 COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-n2cccn2)ccn1 |r|
BDBM50108014 Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-n2cccn2)cc(C)n1 |r|
BDBM50108015 Cc1cc(Nc2ncc(-c3cncs3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
BDBM50108017 OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)ncc2-c2nccs2)[C@H](O)[C@@H]1O |r|
BDBM50108077 OC[C@H]1C[C@@H](Nc2nc(Nc3cccnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
BDBM50102667 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
BDBM50102668 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102669 Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50102670 COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102671 COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
BDBM50102672 COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50102674 O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
BDBM203702 O=c1[nH]c(nc(NC2CNC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203703 O=c1[nH]c(nc(NCC2CCCCN2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203705 O=c1[nH]c(nc(NCCN2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203706 O=c1[nH]c(nc(NCCN2CCCCC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203707 OC1CCN(CCNc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCOCC2)CC1
BDBM203708 O=c1[nH]c(nc(NCCN2CCCC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203709 CN(C)CCNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203710 CC(=O)NCCNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203711 CCC(CO)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203712 NC1CCCCC1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203713 O=c1[nH]c(nc(NCCc2ncc[nH]2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203714 CC(O)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203715 CC(C)C[C@H](CO)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203716 O[C@@H]1Cc2ccccc2[C@@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203717 OC1CCC(CC1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |(-1.63,-6.21,;-1.63,-4.67,;-2.96,-3.9,;-2.96,-2.36,;-1.63,-1.59,;-.29,-2.36,;-.29,-3.9,;-1.63,-.05,;-.29,.72,;1.04,-.05,;2.37,.72,;2.37,2.26,;1.04,3.03,;1.04,4.57,;-.29,2.26,;-1.63,3.03,;-3.03,2.4,;-4.06,3.55,;-5.6,3.55,;-6.37,4.88,;-5.6,6.21,;-4.06,6.21,;-3.29,4.88,;-1.79,4.56,;3.71,-.05,;3.71,-1.59,;5.04,-2.36,;6.37,-1.59,;6.37,-.05,;5.04,.72,)|
BDBM203718 OC1CCCCC1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203719 OCC(CO)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203720 O=c1[nH]c(nc(NCC2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203721 CN(C)CCNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203722 OCCNCCNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203723 CN1CCCC(C1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203724 O=c1[nH]c(nc(NC2CNC2)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203726 CCN1CCCC1CNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203727 O=c1[nH]c(nc(NCCN2CCCCC2)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203729 CC1(CCCNC1)Nc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203730 OCC(O)CNc1nc([nH]c(=O)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203731 OC1CCN(CCNc2nc([nH]c(=O)c2-c2ccc3ccccc3n2)N2CCOCC2)CC1
BDBM203733 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCOCC1 |r|
BDBM203734 OCC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203735 COCC1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203737 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC1 |r|
BDBM203738 CN(C)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203739 CC1CCCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203740 O[C@H]1Cc2ccccc2[C@@H]1Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203741 CN(CCO)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203742 COC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203743 CC1CN(CC(C)O1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203744 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCCC1 |r|
BDBM203745 CC1CC(C)CN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203746 CC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203747 O[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203749 O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)N1CC2CCC(C1)O2
BDBM203666 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cc(ccn1)C#N)N1CCOCC1 |r|
BDBM203665 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cccc(n1)C#N)N1CCOCC1 |r|
BDBM203750 CN([C@H]1CC[C@H](O)CC1)c1nc(NC2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r,wU:2.1,wD:5.5,(5.23,1.8,;3.9,1.03,;4.3,-.46,;5.78,-.86,;6.18,-2.34,;5.09,-3.43,;4.7,-4.92,;3.61,-3.03,;3.21,-1.55,;2.56,1.8,;1.23,1.03,;-.1,1.8,;-1.44,1.03,;-1.44,-.51,;-2.77,-1.28,;-2.77,-2.82,;-1.44,-3.59,;-.1,-2.82,;-.1,-1.28,;-.1,3.34,;-1.44,4.11,;-1.6,5.64,;-3.1,5.96,;-3.87,7.3,;-5.41,7.3,;-6.18,5.96,;-5.41,4.63,;-3.87,4.63,;-2.84,3.48,;1.23,4.11,;1.23,5.65,;2.56,3.34,)|
BDBM203751 NC(=O)CNc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203752 O=C1C[C@H](Cc2ccccc2N1)Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203753 O=C1C[C@@H](Cc2ccccc2N1)Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203754 OCC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203667 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc(cn1)C#N)N1CCOCC1 |r|
BDBM203755 O[C@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203756 CN(Cc1ccccc1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203758 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCCCC1 |r|
BDBM203759 CN([C@H](CO)c1ccccc1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203668 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1ccc(cn1)C1CC1)N1CCOCC1 |r|
BDBM203669 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1cc2ccccc2cn1)N1CCOCC1 |r|
BDBM203761 FC1(F)CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203762 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2CCCCC2C1 |r|
BDBM203763 CC1CCCCN1c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203764 O[C@@H]1CCN(C1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203765 CC(=O)N1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203675 CN1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203676 CCN1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203677 CC(C)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM203678 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC2CC2)CC1 |r|
BDBM203679 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCC1 |r|
BDBM203680 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCCC1 |r|
BDBM203681 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCCCC1 |r|
BDBM203682 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCOC1 |r|
BDBM203683 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)C1CCOCC1 |r|
BDBM203684 CS(=O)(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203685 CCS(=O)(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203686 CC(C)S(=O)(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203687 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)S(=O)(=O)C1CC1 |r|
BDBM203688 COC(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203689 CNC(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203690 CC(=O)N1CCC(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203691 O=c1[nH]c(nc(NC2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1ccccn1
BDBM203692 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1cnccn1 |r|
BDBM203693 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1ncccn1 |r|
BDBM203694 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)C1CCN(CC1)c1cccnc1 |r|
BDBM203695 OCC(O)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203696 N[C@H]1C[C@H]1Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1 |r|
BDBM203697 CC1(CCCNC1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203698 NC(=O)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203699 NC(=N)CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203700 OCCNCCNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203701 CN1CCCC(C1)Nc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM225230 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
BDBM50130660 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r|
BDBM50130661 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r|
BDBM50130662 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r|
BDBM50130668 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r|
BDBM50130674 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r|
BDBM50130676 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
BDBM50130677 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
BDBM50130679 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
BDBM50130680 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
BDBM50130682 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nc23)c(n1)C(F)F |r|
BDBM50130683 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nn23)c(n1)C(F)F |r|
BDBM50130684 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r|
BDBM50130686 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
BDBM50130689 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r|
BDBM50130690 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r|
BDBM50130691 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r|
BDBM203806 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCN(CC2)c2cccnc2)[C@H](O)[C@@H]1O |r|
BDBM50107862 Nc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(cn1)-c1nc2ccccc2s1 |r|
BDBM50122948 OC[C@H]1C[C@@H](Nc2nc(NC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50130666 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r|
BDBM50130669 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r|
BDBM50092820 Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1
BDBM50093067 COc1ccc(cn1)-c1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccc(C)cc1
BDBM203760 OCCNc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203818 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCN(Cc3nccs3)CC2)[C@H](O)[C@@H]1O |r|
BDBM203725 O=c1[nH]c(nc(NCC2CCCCN2)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM203771 NC1CCN(CC1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203736 CNC(=O)C1CN(CCO1)c1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203783 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2ccccc2s1)N1CCC2(CCN(C2)c2ccccc2)C1 |r|
BDBM203795 O=c1[nH]c(nc(N[C@@H]2CCCNC2)c1-c1nc2cc(ccc2s1)C1CC1)N1CCOCC1 |r|
BDBM203704 CCN1CCCC1CNc1nc([nH]c(=O)c1-c1nc2ccccc2s1)N1CCOCC1
BDBM203748 O[C@H]1Cc2ccccc2[C@H]1Nc1nc(N[C@@H]2CCCNC2)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM50130681 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r|
BDBM50130687 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
BDBM50130688 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r|
BDBM50107850 Nc1ccc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 |r|
BDBM50107854 OC[C@H]1C[C@@H](Nc2cc(Nc3ccc(F)cc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
BDBM50108016 Cc1cc(Nc2ncc(-c3cscn3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
BDBM50108083 COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
BDBM50102673 COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50095462 Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)C(N)=O
BDBM50095463 Cn1cc(NC(=O)c2cnn3ccc(CCCN)nc23)c(n1)C(N)=O
BDBM50095465 Cn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(n1)C(N)=O
BDBM50095466 Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(n1)C(N)=O
BDBM203728 O=c1[nH]c(nc(NCCN2CCCC2)c1-c1ccc2ccccc2n1)N1CCOCC1
BDBM50095467 Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r|
BDBM50095468 Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
BDBM50095471 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1 |r|
BDBM50095473 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r|
BDBM50095474 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
BDBM50095476 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)C(F)(F)F |r|
BDBM50095477 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1nnco1 |r|
BDBM203811 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCC(CC2)c2ccccn2)[C@H](O)[C@@H]1O |r|
BDBM203492 OC[C@H]1C[C@@H](Nc2nc([nH]c(=O)c2-c2nc3ccccc3s2)N2CCc3ccccc3C2)[C@H](O)[C@@H]1O |r|
BDBM50095478 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1ccncc1 |r|
BDBM50095479 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1cncnc1 |r|
BDBM50095481 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)(F)F |r|
BDBM50095482 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r|
BDBM50095501 Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)(F)F
BDBM50095505 Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)F
BDBM50095509 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)F |r|
BDBM50095514 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
BDBM50095517 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
BDBM50095531 Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)(F)F |r|
BDBM50095534 Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)(F)F |r|
BDBM50095535 Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@@H](N)C2)c(n1)C(F)(F)F |r|
BDBM50130678 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r|
BDBM206166 Clc1ccc(N2CCCCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206167 OCCCOc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
BDBM206168 O[C@H]1CC[C@@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,wD:1.0,(5.15,-5.95,;4.06,-4.86,;4.46,-3.37,;3.37,-2.28,;1.89,-2.68,;1.49,-4.17,;2.58,-5.26,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
BDBM206169 COc1cc2ccc(CO)cc2cc1NC(=O)c1cnn2cccnc12
BDBM206170 OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206171 OCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206172 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)C(C)C
BDBM206173 CCCN(C)c1ncc2scc(C(=O)Nc3cc(Cl)ccc3OC)c2n1
BDBM206174 OCCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206175 O=C(Nc1cc2cccnc2cc1OC1CCNC1)c1csc2cncnc12
BDBM206176 COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
BDBM206177 OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 |(5.33,-5,;4,-4.23,;2.67,-5,;1.33,-4.23,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-5,;-4,-4.23,;-5.33,-5,;-4,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-4,1.93,;-5.33,2.69,;-5.33,4.23,;-2.67,4.23,;-1.33,5,;,4.23,;,2.69,;-1.33,1.93,;-2.67,2.69,)|
BDBM206178 OC1CCCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206179 Clc1ccc(OC2CCNCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206180 Clc1ccc(OC2CCNCC2)c(NC(=O)c2csc3cccnc23)c1
BDBM206181 Oc1ccc(cc1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM50102666 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
BDBM206182 OC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206183 OCC(O)CCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206184 CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206185 Clc1ccc(OCc2cnco2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206186 Clc1ccc(N2CCOCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206187 Clc1ccc(c(NC(=O)c2cnn3cccnc23)c1)-c1ccccc1
BDBM206188 NCC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206189 COc1cc2cc[nH]c2cc1NC(=O)c1csc2cncnc12
BDBM50130670 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r|
BDBM206191 COc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
BDBM206190 OC1CCCC(C1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206192 COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)NCCCO
BDBM206193 OCC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206194 FC(F)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206195 CN(C)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206196 NC1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206197 COc1cc2cc[nH]c2cc1NC(=O)c1cnn2cccnc12
BDBM206198 CSc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206199 Clc1ccc(C2CCCCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206200 COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)NCCCO
BDBM206201 OCCNc1cccc(NC(=O)c2cnn3cccnc23)c1N1CCCCC1
BDBM206202 Cc1ncoc1COc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206203 O=C(Nc1ccccc1-c1ccccc1)c1cnn2cccnc12
BDBM206090 NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
BDBM206091 COc1cc2nc(NCCO)ccc2cc1NC(=O)c1cnn2cccnc12
BDBM206092 NCC1CCN(CC1)c1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)Nc1ccccc1
BDBM206093 CC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206094 O[C@H]1CC[C@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r,wD:4.7,1.0,(5.33,-3.84,;4,-3.07,;4,-1.53,;2.67,-.76,;1.33,-1.53,;1.33,-3.07,;2.67,-3.84,;,-.76,;-1.33,-1.53,;-1.33,-3.07,;-2.67,-3.84,;-2.67,-5.38,;-4,-6.15,;-5.33,-5.38,;-5.33,-3.84,;-4,-3.07,;-4,-1.53,;-2.67,-.76,;-2.67,.78,;-3.76,1.87,;-5.24,1.47,;-3.36,3.36,;-4.26,4.61,;-3.36,5.85,;-1.89,5.38,;-.56,6.15,;.77,5.38,;.77,3.84,;-.56,3.07,;-1.89,3.84,)|
BDBM206204 CC(C)(CCO)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206205 NC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 |(5.33,-4.86,;4,-4.09,;2.67,-4.86,;1.33,-4.09,;1.33,-2.55,;2.67,-1.78,;4,-2.55,;,-1.78,;-1.33,-2.55,;-1.33,-4.09,;-2.67,-4.86,;-4,-4.09,;-5.33,-4.86,;-4,-2.55,;-2.67,-1.78,;-2.67,-.24,;-4,.53,;-5.33,-.24,;-4,2.07,;-4.91,3.32,;-4,4.56,;-2.54,4.09,;-1.2,4.86,;.13,4.09,;.13,2.55,;-1.2,1.78,;-2.54,2.55,)|
BDBM206206 Clc1ccc(N2CCCCCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206207 OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206208 Cc1ncoc1COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206209 COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)NCCO
BDBM206210 COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206211 COCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206095 O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1cnn2ccccc12
BDBM206096 COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12
BDBM206097 COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12
BDBM206098 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
BDBM206099 O[C@H]1CC[C@@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,wD:1.0,(5.35,-5.95,;4.26,-4.86,;4.66,-3.37,;3.57,-2.28,;2.09,-2.68,;1.69,-4.17,;2.78,-5.26,;1,-1.59,;-.49,-1.99,;-.89,-3.48,;-2.38,-3.88,;-2.78,-5.36,;-4.26,-5.76,;-5.35,-4.67,;-4.95,-3.19,;-3.47,-2.79,;-3.07,-1.3,;-1.58,-.9,;-1.18,.59,;-2.27,1.67,;-3.76,1.28,;-1.87,3.16,;-2.78,4.41,;-1.87,5.65,;-.41,5.18,;.93,5.95,;2.26,5.18,;2.26,3.64,;.93,2.87,;-.41,3.64,)|
BDBM206100 O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1csc2cncnc12
BDBM206101 NCC1CCN(CC1)c1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206212 Oc1cccc(c1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206213 COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCCO)nc12
BDBM206214 COc1ccc(Br)cc1NC(=O)c1cnn2cccnc12
BDBM206215 COc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206216 CN(CCO)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206217 Oc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)cc1
BDBM206218 CC[C@@H](CO)Nc1ncc2scc(C(=O)Nc3cc(Cl)ccc3OC)c2n1 |r|
BDBM206219 COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCO)nc12
BDBM50093028 Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)-c1ccccc1
BDBM206102 O[C@@H]1CC[C@H](C1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r|
BDBM206103 OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
BDBM206104 COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206105 OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12 |(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;3.39,5.95,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
BDBM206106 OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |(5.35,-5.99,;4.26,-4.9,;2.78,-5.3,;1.69,-4.21,;2.09,-2.73,;3.57,-2.33,;4.66,-3.42,;1,-1.64,;-.49,-2.04,;-.89,-3.52,;-2.38,-3.92,;-2.78,-5.41,;-4.26,-5.81,;-5.35,-4.72,;-4.95,-3.23,;-3.47,-2.83,;-3.07,-1.35,;-1.58,-.95,;-1.18,.54,;-1.95,1.87,;-3.49,1.87,;-1.18,3.21,;-2.09,4.45,;-1.18,5.7,;.28,5.22,;1.62,5.99,;2.95,5.22,;2.95,3.68,;1.62,2.91,;.28,3.68,)|
BDBM206107 Oc1cnc2c(cnn2n1)C(=O)Nc1cc(Cl)ccc1N1CCCCC1
BDBM206108 CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206220 OCc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(2.67,4.24,;1.33,5.01,;,4.24,;,2.7,;-1.33,1.93,;-2.67,2.7,;-4,1.93,;-5.33,2.7,;-5.33,4.24,;-2.67,4.24,;-1.33,5.01,;-4,.39,;-5.33,-.38,;-2.67,-.38,;-2.67,-1.92,;-4,-2.69,;-4,-4.23,;-5.33,-5,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-5.01,;4,-4.23,;5.33,-5,;4,-2.69,;2.67,-1.92,)|
BDBM206221 COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(N)=O
BDBM206222 CC(C)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206223 OCCCn1c(NC(=O)c2csc3cncnc23)nc2ccccc12
BDBM206224 OC[C@H](O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 |r|
BDBM206225 COCCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206226 OCCCOc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206227 OCC1CCCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2nccnc12
BDBM206109 OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2nc(O)cnc12
BDBM206110 OC1CCC(CC1)Oc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12 |(5.35,-5.95,;4.26,-4.86,;2.78,-5.26,;1.69,-4.17,;2.09,-2.68,;3.57,-2.28,;4.66,-3.37,;1,-1.59,;-.49,-1.99,;-.89,-3.48,;-2.38,-3.88,;-2.78,-5.36,;-4.26,-5.76,;-5.35,-4.67,;-4.95,-3.19,;-3.47,-2.79,;-3.07,-1.3,;-1.58,-.9,;-1.18,.59,;-2.27,1.67,;-3.76,1.28,;-1.87,3.16,;-2.78,4.41,;-1.87,5.65,;-.41,5.18,;.93,5.95,;2.26,5.18,;2.26,3.64,;.93,2.87,;-.41,3.64,)|
BDBM206111 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(C)CCO
BDBM206115 CC(O)CCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206228 Oc1cccc(COc2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)c1
BDBM206229 COc1cc(OC)c(NC(=O)c2cnn3cccnc23)cc1Cl
BDBM206230 COc1ccc(C=C)cc1NC(=O)c1cnn2cccnc12
BDBM206231 OCCCNc1cccc(NC(=O)c2cnn3cccnc23)c1N1CCCCC1
BDBM206232 OCCCCc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206233 COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)NCCO
BDBM206234 OCCc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(4.13,4.86,;2.8,4.09,;1.46,4.86,;.13,4.09,;.13,2.55,;-1.2,1.78,;-2.54,2.55,;-4,2.07,;-4.91,3.32,;-4,4.56,;-2.54,4.09,;-1.2,4.86,;-4,.53,;-5.33,-.24,;-2.67,-.24,;-2.67,-1.78,;-4,-2.55,;-4,-4.09,;-5.33,-4.86,;-2.67,-4.86,;-1.33,-4.09,;-1.33,-2.55,;,-1.78,;1.33,-2.55,;1.33,-4.09,;2.67,-4.86,;4,-4.09,;5.33,-4.86,;4,-2.55,;2.67,-1.78,)|
BDBM206235 CC(N)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206116 COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1N1CCC(CO)CC1
BDBM206117 COc1cc2ncccc2cc1NC(=O)c1csc2cc(CO)cnc12
BDBM206119 O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1cnn2cccnc12
BDBM206120 COc1cc2ncccc2cc1NC(=O)c1cnn2cccnc12
BDBM206121 OCC1CCN(CC1)c1cc2CC(=O)Nc2cc1NC(=O)c1cnn2cccnc12
BDBM206122 CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206236 CN(CCCO)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206237 COc1ccc(Cl)cc1NC(=O)c1csc2cccnc12
BDBM206238 CNCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206239 COc1ccc(\C=C\CO)cc1NC(=O)c1cnn2cccnc12
BDBM206240 COc1ccc(C)cc1NC(=O)c1cnn2cccnc12
BDBM206241 CCc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206242 COc1cc(ccc1NC(=O)c1ccn2cccnc12)S(C)(=O)=O
BDBM206243 Oc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)c1
BDBM206123 Cc1cc2cc(c(NC(=O)c3cnn4cccnc34)cc2[nH]1)-c1ccc(CO)cc1
BDBM206124 CN(C)CC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12
BDBM206125 NC(O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206126 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N[C@H](C)CO)nc12 |r|
BDBM206127 NC(=O)C1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206128 OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cccnc12
BDBM206129 OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206244 COc1ccc(Cl)cc1NC(=O)c1csc2cnc(nc12)N(C)CCO
BDBM206245 COc1ccc(NC(=O)c2cnn3cccnc23)c(OC)c1
BDBM206246 COc1ccc(F)cc1NC(=O)c1cnn2ccccc12
BDBM206247 COC(=O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206248 Clc1ccc(Oc2ccccc2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206249 COc1ccc(Cl)cc1NC(=O)c1csc2ccc(NCCO)nc12
BDBM206250 OC[C@@H](O)COc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12 |r|
BDBM206251 OCC1CCCCN1c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206130 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
BDBM206131 CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206132 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCO)nc12
BDBM206133 NCc1ccc(cc1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206134 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(O)CO)nc12
BDBM206135 O=C(Nc1cc2NC(=O)Cc2cc1N1CCCCC1)c1cnn2cccnc12
BDBM206136 OCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206137 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCCN)nc12
BDBM206252 COc1cc(ccc1NC(=O)c1cnn2cccnc12)-c1ccccc1
BDBM206253 CCc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1
BDBM206254 COc1cc(c(C)cc1NC(=O)c1cnn2cccnc12)-c1ccccc1
BDBM206255 COc1c(C)cc(C)cc1NC(=O)c1cnn2cccnc12
BDBM206256 COc1ccccc1NC(=O)c1csc2cncnc12
BDBM206257 Cc1ccn2ncc(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)c2n1 |(1.29,3.12,;-.22,3.44,;-.69,4.9,;-2.2,5.22,;-3.23,4.08,;-4.77,4.08,;-5.25,2.61,;-4,1.71,;-4,.17,;-5.33,-.6,;-2.67,-.6,;-2.67,-2.14,;-4,-2.91,;-4,-4.45,;-5.33,-5.22,;-2.67,-5.22,;-1.33,-4.45,;-1.33,-2.91,;,-2.14,;1.33,-2.91,;1.33,-4.45,;2.67,-5.22,;4,-4.45,;5.33,-5.22,;4,-2.91,;2.67,-2.14,;-2.76,2.61,;-1.25,2.29,)|
BDBM206258 COc1ccccc1NC(=O)c1cnn2cccnc12
BDBM206259 COc1cc(ccc1NC(=O)c1cnn2cccnc12)C(=O)N(C)C
BDBM206138 NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206139 NC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(2.67,3.47,;1.33,4.23,;1.33,5.78,;,3.47,;,1.93,;-1.33,1.15,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-2.67,3.47,;-1.33,4.23,;-4,-.38,;-5.33,-1.15,;-2.67,-1.15,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-5.33,-5.78,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;1.33,-5,;2.67,-5.78,;4,-5,;5.33,-5.78,;4,-3.47,;2.67,-2.69,)|
BDBM206140 COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12
BDBM206141 O[C@H]1CC[C@H](C1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r|
BDBM206142 OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12 |(5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.67,-.77,;4,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-5.33,-3.85,;-4,-3.08,;-4,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-4,3.08,;-5.33,3.85,;-5.33,5.39,;-2.67,5.39,;-1.33,6.16,;,5.39,;,3.85,;-1.33,3.08,;-2.67,3.85,)|
BDBM206143 O=C(Nc1cc2cccnc2cc1OC1CCNCC1)c1csc2cncnc12
BDBM206144 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(nc12)N(CCO)C(C)C
BDBM206260 COc1ccc(NC(C)=O)cc1NC(=O)c1cnn2cccnc12
BDBM206261 COc1cc(C(=O)Nc2ccccc2)c(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206262 COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCNC(C)=O)nc12
BDBM206263 COc1ccc(CCCO)cc1NC(=O)c1cnn2cccnc12
BDBM206264 COc1cc(CO)ccc1NC(=O)c1cnn2cccnc12
BDBM206265 OCCCc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(5.4,4.09,;4.07,4.86,;2.73,4.09,;1.4,4.86,;.07,4.09,;.07,2.55,;-1.27,1.78,;-2.6,2.55,;-4.07,2.07,;-4.97,3.32,;-4.07,4.56,;-2.6,4.09,;-1.27,4.86,;-4.07,.53,;-5.4,-.24,;-2.73,-.24,;-2.73,-1.78,;-4.07,-2.55,;-4.07,-4.09,;-5.4,-4.86,;-2.73,-4.86,;-1.4,-4.09,;-1.4,-2.55,;-.07,-1.78,;1.27,-2.55,;1.27,-4.09,;2.6,-4.86,;3.94,-4.09,;5.27,-4.86,;3.94,-2.55,;2.6,-1.78,)|
BDBM206266 OCCOc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM203284 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CCC(O)C1
BDBM206145 OCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
BDBM206146 NCC1CCN(CC1)c1c(N)cccc1NC(=O)c1cnn2cccnc12
BDBM206147 OC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206148 OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(Br)cnc12 |(5.33,-5.63,;4,-4.86,;2.67,-5.63,;1.33,-4.86,;1.33,-3.32,;2.67,-2.55,;4,-3.32,;,-2.55,;-1.33,-3.32,;-1.33,-4.86,;-2.67,-5.63,;-4,-4.86,;-5.33,-5.63,;-4,-3.32,;-2.67,-2.55,;-2.67,-1.01,;-4,-.24,;-5.33,-1.01,;-4,1.3,;-5.25,2.2,;-4.77,3.67,;-3.23,3.67,;-2.2,4.81,;-.69,4.49,;.34,5.63,;-.22,3.03,;-1.25,1.88,;-2.76,2.2,)|
BDBM206149 O[C@H]1CC[C@H](CC1)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 |r,wU:4.7,1.0,(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
BDBM206150 Nc1cccc(NC(=O)c2cnn3cccnc23)c1N1CCCCC1
BDBM206151 NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM203475 CS(=O)(=O)N1CCN(CC1)c1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(=O)[nH]1 |r|
BDBM203757 Cc1ccc2sc(nc2c1)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM206152 OC1CCC(C1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
BDBM206153 OCc1ccc(N2CCCCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM206154 NC(=O)c1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1O[C@@H]1CC[C@H](O)CC1 |r,wU:23.25,26.29,(2.67,3.47,;1.33,4.23,;1.33,5.78,;,3.47,;,1.93,;-1.33,1.15,;-2.67,1.93,;-4,1.15,;-5.33,1.93,;-5.33,3.47,;-2.67,3.47,;-1.33,4.23,;-4,-.38,;-5.33,-1.15,;-2.67,-1.15,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-5.33,-5.78,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;1.33,-5,;2.67,-5.78,;4,-5,;5.33,-5.78,;4,-3.47,;2.67,-2.69,)|
BDBM206155 OCc1ccc(cc1)-c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206156 COc1cc2[nH]ncc2cc1NC(=O)c1cnn2cccnc12
BDBM206157 NC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206158 COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1N1CCC(CN)CC1
BDBM206159 COc1cc2cc(C)[nH]c2cc1NC(=O)c1cnn2cccnc12
BDBM206160 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(C)C)nc12
BDBM206161 CC(C)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
BDBM206162 OCCNc1ncc2scc(C(=O)Nc3ccc4ncccc4c3)c2n1
BDBM206163 COc1cnc2c(cnn2c1)C(=O)Nc1cc(Cl)ccc1OC1CCC(O)CC1 |(4.73,5.18,;3.39,5.95,;2.06,5.18,;2.06,3.64,;.73,2.87,;-.61,3.64,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;-2.47,1.67,;-3.96,1.28,;-1.38,.59,;-1.78,-.9,;-3.27,-1.3,;-3.67,-2.79,;-5.15,-3.19,;-2.58,-3.88,;-1.09,-3.48,;-.69,-1.99,;.8,-1.59,;1.89,-2.68,;1.49,-4.17,;2.58,-5.26,;4.06,-4.86,;5.15,-5.95,;4.46,-3.37,;3.37,-2.28,)|
BDBM206164 OCC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
BDBM206165 Clc1ccc(N2CCCC2)c(NC(=O)c2cnn3cccnc23)c1
BDBM203802 N[C@@H]1CCCC[C@@H]1Nc1cccc2sc(nc12)-c1c(N[C@@H]2CCCNC2)nc([nH]c1=O)N1CCOCC1 |r|
BDBM50095952 NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N |r|
BDBM50130664 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r|
BDBM50130667 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r|
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50166588 C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
BDBM208005 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CC[C@H](N)CC1 |r,wU:4.4,27.29,wD:30.33,(-6.52,-1.54,;-7.85,-2.31,;-7.85,-.77,;-9.19,-3.08,;-6.52,-3.08,;-6.52,-4.62,;-5.19,-2.31,;-3.85,-3.08,;-2.52,-2.31,;-2.52,-.77,;-1.18,-3.08,;-1.18,-4.62,;.15,-5.39,;1.48,-4.62,;2.82,-5.39,;4.15,-4.62,;4.15,-3.08,;5.48,-2.31,;6.82,-3.08,;8.28,-2.6,;9.19,-3.85,;8.28,-5.1,;6.82,-4.62,;5.48,-5.39,;1.48,-3.08,;.15,-2.31,;.15,-.77,;.15,.77,;-1.18,1.54,;-1.18,3.08,;.15,3.85,;.15,5.39,;1.48,3.08,;1.48,1.54,)|
BDBM208006 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CC1 |r|
BDBM208007 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1 |r|
BDBM208008 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(C1)C(C)(C)O |r,wU:4.4,(-6.52,-.54,;-7.85,-1.31,;-7.85,.23,;-9.19,-2.08,;-6.52,-2.08,;-6.52,-3.62,;-5.19,-1.31,;-3.85,-2.08,;-2.52,-1.31,;-2.52,.23,;-1.18,-2.08,;-1.18,-3.62,;.15,-4.39,;1.48,-3.62,;2.82,-4.39,;4.15,-3.62,;4.15,-2.08,;5.48,-1.31,;6.82,-2.08,;8.28,-1.61,;9.19,-2.85,;8.28,-4.1,;6.82,-3.62,;5.48,-4.39,;1.48,-2.08,;.15,-1.31,;.15,.23,;1.48,1,;2.97,.6,;3.37,2.08,;1.88,2.48,;4.7,2.85,;4.7,4.39,;6.04,3.62,;6.04,2.08,)|
BDBM208009 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1cc(F)cc(F)c1 |r|
BDBM208013 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(CO)C1 |r,wU:4.4,(-6.52,.23,;-7.85,-.54,;-7.85,1,;-9.19,-1.31,;-6.52,-1.31,;-6.52,-2.85,;-5.19,-.54,;-3.85,-1.31,;-2.52,-.54,;-2.52,1,;-1.18,-1.31,;-1.18,-2.85,;.15,-3.62,;1.48,-2.85,;2.82,-3.62,;4.15,-2.85,;4.15,-1.31,;5.48,-.54,;6.82,-1.31,;8.28,-.84,;9.19,-2.08,;8.28,-3.33,;6.82,-2.85,;5.48,-3.62,;1.48,-1.31,;.15,-.54,;.15,1,;1.48,1.77,;2.97,1.37,;3.37,2.85,;4.7,3.62,;6.04,2.85,;1.88,3.25,)|
BDBM208014 CCOC(=O)C1CC(C1)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r,wU:30.34,(8.7,2.08,;7.37,2.85,;6.04,2.08,;4.7,2.85,;4.7,4.39,;3.37,2.08,;2.97,.6,;1.48,1,;1.88,2.48,;.15,.23,;.15,-1.31,;1.48,-2.08,;1.48,-3.62,;2.82,-4.39,;4.15,-3.62,;4.15,-2.08,;5.48,-1.31,;6.82,-2.08,;8.28,-1.61,;9.19,-2.85,;8.28,-4.1,;6.82,-3.62,;5.48,-4.39,;.15,-4.39,;-1.18,-3.62,;-1.18,-2.08,;-2.52,-1.31,;-2.52,.23,;-3.85,-2.08,;-5.19,-1.31,;-6.52,-2.08,;-6.52,-3.62,;-7.85,-1.31,;-6.52,-.54,;-7.85,.23,;-9.19,-2.08,)|
BDBM208025 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CC1 |r|
BDBM208332 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC1 |r|
BDBM208365 CC(C)(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM208532 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(F)(F)F |r|
BDBM208943 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1 |r|
BDBM208946 Cc1cc(O)ccc1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM208949 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCCCC1 |r|
BDBM210137 Cc1cnc2ccc(Nc3cc(NC4CC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)nn12 |r|
BDBM210139 CC(C)Nc1cc(Nc2ccc3ncc(C)n3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210140 Cc1cn2nc(Nc3cc(NC4CC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)ccc2n1 |r|
BDBM210142 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCOCC1 |r|
BDBM210145 OC1CCC(CC1)NC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC1 |(-9.19,1.95,;-7.85,1.18,;-6.52,1.95,;-5.19,1.18,;-5.19,-.36,;-6.52,-1.13,;-7.85,-.36,;-3.85,-1.13,;-2.52,-.36,;-2.52,1.18,;-1.18,-1.13,;-1.18,-2.67,;.15,-3.44,;1.48,-2.67,;2.82,-3.44,;4.15,-2.67,;4.15,-1.13,;5.48,-.36,;6.82,-1.13,;8.28,-.65,;9.19,-1.9,;8.28,-3.14,;6.82,-2.67,;5.48,-3.44,;1.48,-1.13,;.15,-.36,;.15,1.18,;1.48,1.95,;2.97,1.55,;3.37,3.04,;1.88,3.44,)|
BDBM209416 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1C2CCCC12 |r|
BDBM210300 CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210305 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1 |r|
BDBM210306 CC(C)Nc1cc(Nc2ncc3ncccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210307 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1NC1CCOCC1 |r|
BDBM210310 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CC1 |r|
BDBM210311 CC(C)(F)CNc1cc(Nc2ccc3ncc(cc3n2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210389 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1ccccn1 |r|
BDBM210390 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NS(=O)(=O)c1ccccc1 |r|
BDBM210391 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCN1CCOCC1
BDBM210397 CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cn2)cc1NC1CC1 |r|
BDBM208950 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCCCC1 |r|
BDBM209016 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC2CCC1C2 |r,TLB:26:27:31.30:33|
BDBM209234 CC(C)(C)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209323 CC(Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C(F)(F)F |r|
BDBM209356 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CC1 |r|
BDBM209379 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC2CCC1C2 |r,TLB:27:28:32.31:34|
BDBM209381 CCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209394 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3n2)cc1NC1CC1 |r|
BDBM209396 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NC1CCOCC1 |r|
BDBM210146 CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
BDBM210148 CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CC1
BDBM210149 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCOCC1F |r|
BDBM210150 CC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209406 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NCC(F)(F)F |r|
BDBM209407 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C1CC1)C1CC1 |r|
BDBM209408 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nsnc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
BDBM209936 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:26.32,wD:23.25,(2.82,3.47,;2.82,1.93,;4.15,1.15,;1.48,1.15,;1.48,-.38,;2.82,-1.15,;2.82,-2.69,;4.15,-3.47,;5.48,-2.69,;5.48,-1.15,;6.82,-.38,;8.15,-1.15,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.69,;6.82,-3.47,;1.48,-3.47,;.15,-2.69,;.15,-1.15,;-1.18,-.38,;-1.18,1.15,;-2.52,-1.15,;-3.85,-.38,;-3.85,1.15,;-5.19,1.93,;-6.52,1.15,;-6.52,-.38,;-5.19,-1.15,;-7.85,1.93,;-9.19,1.15,;-9.19,-.38,;-10.52,1.93,;-10.52,.38,)|
BDBM209937 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)N1CCOCC1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
BDBM210151 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCC(F)C1 |r|
BDBM210152 CC(C)Nc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210156 CC(C)CNc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210157 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NCC1CC1 |r|
BDBM210158 CC(C)(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210160 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NCCC1CC1 |r|
BDBM210423 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)-c1cc[nH]n1 |r|
BDBM210424 CC(C)Nc1cc(Nc2cnc3[nH]ccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210425 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ncc(CO)s1 |r|
BDBM209938 CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:7.6,wD:10.13,(-11.85,1.93,;-10.52,1.15,;-10.52,-.38,;-9.19,1.93,;-7.85,1.15,;-7.85,-.38,;-6.52,1.93,;-5.19,1.15,;-3.85,1.93,;-2.52,1.15,;-2.52,-.38,;-3.85,-1.15,;-5.19,-.38,;-1.18,-1.15,;.15,-.38,;.15,1.15,;1.48,-1.15,;1.48,-2.69,;2.82,-3.47,;4.15,-2.69,;5.48,-3.47,;6.82,-2.69,;6.82,-1.15,;8.15,-.38,;9.48,-1.15,;10.95,-.68,;11.85,-1.93,;10.95,-3.17,;9.48,-2.69,;8.15,-3.47,;4.15,-1.15,;2.82,-.38,;2.82,1.15,;4.15,1.93,;4.15,3.47,;5.48,1.15,)|
BDBM209939 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccncc1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
BDBM209940 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)N(C)c1ccccc1 |r|
BDBM209941 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCCNC(C)=O
BDBM209970 CC(C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
BDBM209971 CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC12CC3CC(CC(O)(C3)C1)C2 |TLB:33:23:31:26.27.28,22:23:26:31.29.28,THB:33:27:31:23.32.24,32:23:26:31.29.28,32:29:26:23.33.24|
BDBM210166 CC(C)(F)CNc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210167 CC(C)Nc1cc(Nc2ccn3ncc(Cl)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210168 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CC(F)C1 |r,wU:4.4,(-7.08,.79,;-7.85,-.54,;-8.62,.79,;-9.19,-1.31,;-6.52,-1.31,;-6.52,-2.85,;-5.19,-.54,;-3.85,-1.31,;-2.52,-.54,;-2.52,1,;-1.18,-1.31,;-1.18,-2.85,;.15,-3.62,;1.48,-2.85,;2.82,-3.62,;4.15,-2.85,;4.15,-1.31,;5.48,-.54,;6.82,-1.31,;8.28,-.84,;9.19,-2.08,;8.28,-3.33,;6.82,-2.85,;5.48,-3.62,;1.48,-1.31,;.15,-.54,;.15,1,;1.48,1.77,;2.97,1.37,;3.37,2.85,;4.7,3.62,;1.88,3.25,)|
BDBM210174 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCCC1(F)F |r|
BDBM210175 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2)cc1NC1CCOCC1F |r|
BDBM210428 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1C2CCCC1CCC2 |r|
BDBM210431 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3c2)cc1NC1CC(F)(F)C1 |r|
BDBM210432 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1Nc1ncc(s1)C(C)(C)O |r|
BDBM210433 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCOC1 |r|
BDBM210435 CC(CO)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210436 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1C2CCCC12 |r|
BDBM210439 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCCC(C1)C(C)(C)O
BDBM209972 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)N1CCCC1 |r|
BDBM209973 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1(CC1)[N+]#[C-] |r,wU:23.25,wD:26.32,(4.8,3.52,;4.8,1.98,;6.13,1.21,;3.47,1.21,;2.13,1.98,;2.13,3.52,;.8,4.29,;.8,5.83,;-.53,6.6,;-.53,8.14,;-1.87,8.91,;-3.2,8.14,;-4.67,8.62,;-5.57,7.37,;-4.67,6.13,;-3.2,6.6,;-1.87,5.83,;-.53,3.52,;-.53,1.98,;.8,1.21,;.8,-.33,;-.53,-1.1,;2.13,-1.1,;2.13,-2.64,;3.47,-3.41,;3.47,-4.95,;2.13,-5.72,;.8,-4.95,;.8,-3.41,;2.13,-7.26,;3.47,-8.03,;.8,-8.03,;.8,-9.57,;.27,-11.02,;-.72,-9.84,;2.32,-9.84,;3.83,-10.1,)|
BDBM209974 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC12CC3CC(CC(O)(C3)C1)C2 |r,wU:26.32,wD:23.25,TLB:42:32:40:35.36.37,39:38:35:32.42.33,THB:42:36:40:32.41.33,41:32:35:40.38.37,41:38:35:32.42.33,31:32:40:35.36.37,(4.56,3.08,;4.56,1.54,;5.9,.77,;3.23,.77,;3.23,-.77,;4.56,-1.54,;4.56,-3.08,;5.9,-3.85,;7.23,-3.08,;7.23,-1.54,;8.56,-.77,;9.9,-1.54,;11.36,-1.06,;12.27,-2.31,;11.36,-3.56,;9.9,-3.08,;8.56,-3.85,;3.23,-3.85,;1.9,-3.08,;1.9,-1.54,;.56,-.77,;.56,.77,;-.77,-1.54,;-2.1,-.77,;-2.1,.77,;-3.44,1.54,;-4.77,.77,;-4.77,-.77,;-3.44,-1.54,;-6.11,1.54,;-6.11,3.08,;-7.44,.77,;-8.77,1.54,;-10.1,.77,;-11.43,1.54,;-11.43,3.08,;-10.1,3.85,;-10.86,2.68,;-10.87,.28,;-11.64,-1.05,;-12.27,-.36,;-9.67,-.38,;-8.77,3.08,)|
BDBM209975 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CCN(C1)S(C)(=O)=O |r|
BDBM209976 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@@H]1CC[C@@H](CC1)NC(C)=O |r,wD:23.25,26.32,(3.23,3.47,;3.23,1.93,;4.56,1.15,;1.9,1.15,;1.9,-.38,;3.23,-1.15,;3.23,-2.69,;4.56,-3.47,;5.9,-2.69,;5.9,-1.15,;7.23,-.38,;8.56,-1.15,;10.03,-.68,;10.93,-1.93,;10.03,-3.17,;8.56,-2.69,;7.23,-3.47,;1.9,-3.47,;.56,-2.69,;.56,-1.15,;-.77,-.38,;-.77,1.15,;-2.11,-1.15,;-3.65,-1.15,;-4.42,-2.49,;-5.96,-2.49,;-6.73,-1.15,;-5.96,.18,;-4.42,.18,;-8.27,-1.15,;-9.6,-.38,;-10.93,-1.15,;-9.6,1.15,)|
BDBM210178 Cc1nn2ccc(Nc3cc(NCC(C)(C)F)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc2c1F |r|
BDBM210179 CC(C)(F)CNc1cc(Nc2ccn3ncc(F)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210180 CCC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210442 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cnc3[nH]ccc3c2)cc1NC1CCOCC1 |r|
BDBM210443 CC(C)Nc1cc(Nc2ccc3ncc(F)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210449 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(F)cc3n2)cc1NC1CCOCC1 |r|
BDBM210450 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(F)cc3n2)cc1NC1CC1 |r|
BDBM210462 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1 |r|
BDBM210685 CC(C)(F)CNc1cc(Nc2ncc3ncsc3c2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(.82,4.23,;2.15,3.47,;2.15,5,;3.48,4.23,;2.15,1.93,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;6.15,-5,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.16,;-8.52,3.47,;-9.85,2.7,)|
BDBM206481 CNC(=O)c1cnc(Nc2ccc3NC(=O)C(F)(F)c3c2)cc1NC1CCCC1
BDBM206482 CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM206524 CCOC(=O)c1cn2c(n1)sc1cc(Nc3cc(NC4CCCC4)c(cn3)C(=O)NC)ccc21
BDBM206527 CNC(=O)c1cnc(Nc2nc3ccc(Cl)nc3s2)cc1NC(C)C
BDBM206566 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)CO |r|
BDBM209977 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCN(CC1)S(C)(=O)=O
BDBM209978 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCN(CC1)C(=O)N1CCOCC1
BDBM209979 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCN(CC1)C(=O)c1cccnc1
BDBM209980 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC12CCC(O)(CC1)C2 |r,wU:26.32,wD:23.25,(3.84,2.28,;3.84,.74,;5.38,.74,;2.51,-.03,;2.51,-1.57,;3.84,-2.34,;3.84,-3.88,;5.18,-4.65,;6.66,-4.25,;7.14,-2.78,;8.65,-2.46,;9.68,-3.61,;11.22,-3.61,;11.69,-5.07,;10.45,-5.98,;9.2,-5.07,;7.69,-5.39,;2.51,-4.65,;1.17,-3.88,;1.17,-2.34,;-.16,-1.57,;-.16,-.03,;-1.49,-2.34,;-2.58,-1.25,;-2.18,.24,;-3.27,1.33,;-4.76,.93,;-5.16,-.56,;-4.07,-1.65,;-5.85,2.02,;-5.45,3.51,;-7.34,1.62,;-8.43,2.71,;-8.03,4.2,;-9.12,5.29,;-10.6,4.89,;-11.69,5.98,;-11,3.4,;-9.91,2.31,;-9.23,4.1,)|
BDBM209981 CNC(=O)[C@H]1CC[C@@H](C1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r|
BDBM209982 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](C1)C(=O)NC1(CC1)C#N |r|
BDBM210188 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CC1 |r|
BDBM210192 CC(C)Nc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210197 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NCC(F)(F)F |r|
BDBM210199 CCNc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210200 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r|
BDBM210201 CC(C)Nc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NCC(F)(F)C(C)(C)O
BDBM210476 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NCC(F)(F)F |r|
BDBM210511 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cnc3[nH]ccc3c2)cc1NC1CC1 |r|
BDBM210512 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3c2F)cc1N[C@@H]1CCCC1(F)F |r|
BDBM210521 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1F |r|
BDBM210522 CCNc1cc(Nc2ccc3ncc(F)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210691 CCNc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.46,;2.15,1.92,;.82,1.15,;.82,-.39,;2.15,-1.16,;2.15,-2.7,;3.48,-3.47,;4.82,-2.7,;6.15,-3.47,;7.48,-2.7,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.16,;6.15,-.38,;4.82,-1.16,;3.48,-.39,;.82,-3.47,;-.52,-2.7,;-.52,-1.16,;-1.85,-.39,;-1.85,1.15,;-3.19,-1.16,;-4.52,-.39,;-4.52,1.15,;-5.85,1.92,;-7.19,1.15,;-7.19,-.39,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.16,;-8.52,3.47,;-9.85,2.7,)|
BDBM210692 CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CC1
BDBM210695 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2[nH]ncc2C1
BDBM210696 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ccc(F)cc3n2)cc1NC1CCOCC1 |r|
BDBM206605 OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3[nH]c(=O)sc3c2)cc1NC1CCCC1 |r|
BDBM206647 OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
BDBM206648 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCC(C)(C)O
BDBM206673 CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
BDBM206779 OC1(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC2CC2)CCC1
BDBM206780 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)C(N)=O
BDBM206781 CNC(=O)c1ccc(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC(C)C)cc1
BDBM209983 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(N)(CC1)CC2
BDBM209984 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(N)(CC1)C2
BDBM209985 CCNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:5.4,wD:8.11,(-10.8,3.55,;-9.31,3.95,;-8.23,2.86,;-6.74,3.25,;-6.34,4.74,;-5.65,2.17,;-4.16,2.56,;-3.07,1.48,;-3.47,-.01,;-4.96,-.41,;-6.05,.68,;-2.38,-1.1,;-1.05,-.33,;-1.05,1.21,;.29,-1.1,;.29,-2.64,;1.62,-3.41,;2.95,-2.64,;4.29,-3.41,;5.77,-3.01,;6.25,-1.55,;7.76,-1.23,;8.79,-2.37,;10.33,-2.37,;10.8,-3.84,;9.56,-4.74,;8.31,-3.84,;6.8,-4.16,;2.95,-1.1,;1.62,-.33,;1.62,1.21,;2.95,1.98,;2.95,3.52,;4.49,1.98,)|
BDBM209986 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(CC1)(CC2)C(=O)NCC(C)(C)O
BDBM209987 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1CC1 |r,wU:26.32,wD:23.25,(2.95,3.17,;2.95,1.63,;4.49,1.63,;1.62,.86,;1.62,-.68,;2.95,-1.45,;2.95,-2.99,;4.29,-3.76,;5.77,-3.36,;6.25,-1.89,;7.76,-1.57,;8.79,-2.72,;10.33,-2.72,;10.8,-4.18,;9.56,-5.09,;8.31,-4.18,;6.8,-4.5,;1.62,-3.76,;.29,-2.99,;.29,-1.45,;-1.05,-.68,;-1.05,.86,;-2.38,-1.45,;-3.47,-.36,;-3.07,1.13,;-4.16,2.22,;-5.65,1.82,;-6.05,.33,;-4.96,-.76,;-6.74,2.91,;-6.34,4.4,;-8.23,2.51,;-9.31,3.6,;-9.71,5.09,;-10.8,4,)|
BDBM210202 CC(C)(F)CNc1cc(Nc2ccc3ncsc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210205 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cn2)cc1NC1CC1 |r|
BDBM210206 CC(C)(F)CNc1cc(Nc2cc3scnc3cn2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210207 CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(C)(C)F |r|
BDBM210208 CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC12CCC(N)(CC1)CC2
BDBM210210 CNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
BDBM210211 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(N)=O |r|
BDBM210529 CC(C)Nc1cc(Nc2ncc3ncsc3c2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210546 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C#N)cc1NC1CCCC1(F)F |r|
BDBM210553 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(cc3n2)C(N)=O)cc1NC1CCC1 |r|
BDBM210559 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1N[C@H]1CCC[C@@H]1F |r|
BDBM210568 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1N[C@@H]1CCC[C@@H]1F |r|
BDBM210704 CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
BDBM210711 CC(C)Nc1cc(Nc2nc3cccnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210712 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3nccnc3cc2F)cc1NC1CCC1 |r|
BDBM210713 CC(C)Nc1cc(Nc2cc3nccnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210714 CC(CCF)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210615 CC(CO)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210585 CC(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM206788 CC(O)([C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1)C(F)(F)F |r|
BDBM210243 CC(O)([C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1F)C(F)(F)F |r|
BDBM210236 CC(O)([C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCC[C@H]1O)C(F)(F)F |r|
BDBM207847 CC(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |r|
BDBM209988 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(N)=O |r,wU:26.32,wD:23.25,(1.66,3.52,;1.66,1.98,;3.2,1.98,;.33,1.21,;.33,-.33,;1.66,-1.1,;1.66,-2.64,;3,-3.41,;4.49,-3.01,;4.96,-1.55,;6.47,-1.23,;7.5,-2.37,;9.04,-2.37,;9.51,-3.84,;8.27,-4.74,;7.02,-3.84,;5.52,-4.16,;.33,-3.41,;-1,-2.64,;-1,-1.1,;-2.34,-.33,;-2.34,1.21,;-3.67,-1.1,;-4.76,-.01,;-4.36,1.48,;-5.45,2.56,;-6.94,2.17,;-7.34,.68,;-6.25,-.41,;-8.03,3.25,;-7.63,4.74,;-9.51,2.86,)|
BDBM209989 CNC(=O)C12CCC(CC1)(CC2)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
BDBM210212 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(=O)NC1CC1 |r|
BDBM210213 CCNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
BDBM210215 CN(C)C(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
BDBM210216 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(=O)NCC(F)(F)F |r|
BDBM210218 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)C(=O)NCCO |r|
BDBM210219 CCCNC(=O)c1ccc(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
BDBM210584 CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1NC(C)C |r,wU:5.8,wD:2.1,(-9.85,1.15,;-8.52,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-3.19,-1.15,;-1.85,-.38,;-1.85,1.15,;-.52,-1.15,;-.52,-2.69,;.82,-3.47,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;2.15,-1.15,;.82,-.38,;.82,1.15,;2.15,1.93,;2.15,3.47,;3.48,1.15,)|
BDBM210588 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CC2CC2C1(F)F |r|
BDBM210715 CC(C)(O)C1CCC(CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |(-9.85,1.16,;-8.52,1.93,;-8.52,3.47,;-9.85,2.7,;-7.19,1.15,;-5.85,1.92,;-4.52,1.15,;-4.52,-.39,;-5.85,-1.15,;-7.19,-.39,;-3.19,-1.16,;-1.85,-.39,;-1.85,1.15,;-.52,-1.16,;-.52,-2.7,;.82,-3.47,;2.15,-2.7,;3.48,-3.47,;4.82,-2.7,;6.15,-3.47,;7.48,-2.7,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.16,;6.15,-.38,;4.82,-1.16,;3.48,-.39,;2.15,-1.16,;.82,-.39,;.82,1.15,;2.15,1.92,;3.69,1.92,;2.92,3.26,)|
BDBM210731 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC1 |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;5.48,-1.16,;6.82,-.38,;8.15,-1.16,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.7,;6.82,-3.47,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;4.3,1.53,;4.7,3.01,;3.21,3.41,)|
BDBM210732 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCOC[C@@H]1F |r,wU:4.3,35.40,wD:7.10,30.33,(-10.52,1.54,;-9.19,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,;1.48,3.85,)|
BDBM210740 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(F)(F)F |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;5.48,-1.16,;6.82,-.38,;8.15,-1.16,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.7,;6.82,-3.47,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;4.15,1.15,;3.38,-.18,;4.92,2.49,;5.48,.38,)|
BDBM207347 CC(C)Nc1cc(Nc2ccc3ncoc3c2)ncc1C(=O)NC[C@@H](F)C(O)C(C)C |r|
BDBM209995 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1COCCC1F |r|
BDBM209996 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CC1 |r|
BDBM209997 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCOCC1 |r|
BDBM209998 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NCC(F)(F)F |r|
BDBM209999 CCNc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210060 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCC1 |r|
BDBM210222 CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCCC(F)C1 |r|
BDBM210224 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1N[C@@H]1CCC[C@H]1O |r|
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
BDBM210590 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1Nc1ncc(s1)C(C)(C)O |r|
BDBM210597 CC(C)(F)CNc1cc(Nc2cc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210606 CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210607 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.47,;2.15,1.93,;3.48,1.15,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.15,;-7.19,2.69,;-8.52,3.47,)|
BDBM210609 CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(2.15,3.47,;2.15,1.93,;3.48,1.15,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;6.15,-3.47,;7.48,-2.69,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.15,;6.15,-.38,;4.82,-1.15,;3.48,-.39,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-4.52,1.15,;-5.85,1.93,;-7.19,1.15,;-7.19,-.38,;-5.85,-1.15,;-8.52,1.93,;-9.85,1.15,;-7.19,2.69,;-8.52,3.47,)|
BDBM210741 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2cnc3[nH]ccc3c2)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;5.48,-1.16,;6.82,-.38,;8.15,-1.16,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.7,;6.82,-3.47,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;2.42,3.41,;4.3,1.53,)|
BDBM210744 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |r,wU:4.3,wD:7.10,(-10.52,1.93,;-9.19,1.16,;-7.85,1.93,;-7.85,3.47,;-6.52,1.15,;-5.19,1.92,;-3.85,1.15,;-3.85,-.39,;-5.19,-1.15,;-6.52,-.39,;-2.52,-1.16,;-1.18,-.39,;-1.18,1.15,;.15,-1.16,;.15,-2.7,;1.48,-3.47,;2.82,-2.7,;4.15,-3.47,;5.48,-2.7,;6.82,-3.47,;8.15,-2.7,;9.62,-3.17,;10.52,-1.93,;9.62,-.68,;8.15,-1.16,;6.82,-.38,;5.48,-1.16,;4.15,-.39,;2.82,-1.16,;1.48,-.39,;1.48,1.15,;2.82,1.92,;4.36,1.92,;3.59,3.26,)|
BDBM207846 CC(C)C(O)C(F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C(O)CO)c1ccccc1
BDBM207856 CC(C)(O)C1CC(C1)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)(C1CC1)C(F)(F)F |r,wU:29.33,(4.7,4.39,;4.7,2.85,;6.04,3.62,;6.04,2.08,;3.37,2.08,;2.97,.6,;1.48,1,;1.88,2.48,;.15,.23,;.15,-1.31,;1.48,-2.08,;1.48,-3.62,;2.82,-4.39,;4.15,-3.62,;4.15,-2.08,;5.48,-1.31,;6.82,-2.08,;8.28,-1.61,;9.19,-2.85,;8.28,-4.1,;6.82,-3.62,;5.48,-4.39,;.15,-4.39,;-1.18,-3.62,;-1.18,-2.08,;-2.52,-1.31,;-2.52,.23,;-3.85,-2.08,;-5.19,-1.31,;-6.52,-2.08,;-6.52,-3.62,;-7.85,-1.31,;-9.19,-2.08,;-6.76,-.23,;-5.28,.17,;-6.37,1.26,;-8.62,.02,;-10.16,.02,;-7.85,1.35,;-9.25,1.43,)|
BDBM210063 CC(C)Nc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210238 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1O |r|
BDBM210239 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1N[C@@H]1CCC[C@H]1O |r|
BDBM210240 OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1O |r|
BDBM210242 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1O |r|
BDBM210322 CC(C)Nc1cc(Nc2ccc3ncc(Cl)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210610 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCC(CC1)C(C)(C)O |r,wU:4.4,(-9.19,-2.31,;-7.85,-1.54,;-6.52,-.77,;-7.85,,;-6.52,-2.31,;-6.52,-3.85,;-5.19,-1.54,;-3.85,-2.31,;-2.52,-1.54,;-2.52,,;-1.18,-2.31,;-1.18,-3.85,;.15,-4.62,;1.48,-3.85,;2.82,-4.62,;4.15,-3.85,;5.48,-4.62,;6.82,-3.85,;8.28,-4.33,;9.19,-3.08,;8.28,-1.83,;6.82,-2.31,;5.48,-1.54,;4.15,-2.31,;2.82,-1.54,;1.48,-2.31,;.15,-1.54,;.15,,;1.48,.77,;2.82,,;4.15,.77,;4.15,2.31,;2.82,3.08,;1.48,2.31,;5.48,3.08,;6.82,2.31,;5.48,4.62,;6.82,3.85,)|
BDBM207857 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |r|
BDBM207859 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3[nH]c(=O)sc3c2)cc1NC1CCCC1 |r|
BDBM207860 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207863 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nsnc3c2)cc1NC1CCCC1 |r|
BDBM207870 CC(CO)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210087 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3n2)cc1NC1CC1 |r|
BDBM210088 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3n2)cc1NC1CCC1 |r|
BDBM210096 CC(C)(F)CNc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210260 Cc1nc2cc(F)c(Nc3cc(NC4CCCC4F)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc2s1 |r|
BDBM210631 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1N[C@H]1CCC[C@@H]1O |r|
BDBM210633 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CC1 |r|
BDBM210634 CCNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207886 CC(C)Nc1cc(Nc2ccc3[nH]c(=O)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207894 CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207906 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
BDBM207913 CC(C)Nc1cc(Nc2cc3nsnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207917 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1cccc(F)c1 |r|
BDBM207921 CC(C)Nc1cc(Nc2ccc3nonc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207931 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC1 |r|
BDBM210099 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1COCCC1F |r|
BDBM210100 CC(C)(F)CNc1cc(Nc2ccn3ncc(F)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210107 CC(C)Nc1cc(Nc2ccn3ncc(C#N)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210261 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1F |r|
BDBM210265 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3c2)cc1NC1CCCC1F |r|
BDBM210337 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(cc1)S(C)(=O)=O |r|
BDBM210343 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1Nc1ccc(cc1)S(C)(=O)=O |r|
BDBM210344 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCSCC1 |r|
BDBM210345 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCSCC1 |r|
BDBM210346 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NCC(F)F |r|
BDBM210654 CC(C)Nc1cc(Nc2cc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207952 CC(C)Nc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207953 CC(C)Nc1cc(Nc2ccc3ncncc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207955 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
BDBM207956 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCC(C)(O)C1 |r|
BDBM207957 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1ccc(OC(F)F)cc1 |r|
BDBM207996 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCOCC1 |r|
BDBM208015 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCOC1 |r|
BDBM208016 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCC1 |r|
BDBM208017 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCC1 |r|
BDBM210111 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CC(F)C1 |r,wU:4.4,(-7.08,.79,;-7.85,-.54,;-8.62,.79,;-9.19,-1.31,;-6.52,-1.31,;-6.52,-2.85,;-5.19,-.54,;-3.85,-1.31,;-2.52,-.54,;-2.52,1,;-1.18,-1.31,;-1.18,-2.85,;.15,-3.62,;1.48,-2.85,;2.82,-3.62,;4.15,-2.85,;4.15,-1.31,;5.48,-.54,;6.82,-1.31,;8.28,-.84,;9.19,-2.08,;8.28,-3.33,;6.82,-2.85,;5.48,-3.62,;1.48,-1.31,;.15,-.54,;.15,1,;1.48,1.77,;2.97,1.37,;3.37,2.85,;4.7,3.62,;1.88,3.25,)|
BDBM210112 CC(C)(F)CNc1cc(Nc2ccn3ncc(Cl)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210113 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3ncc(F)c3n2)cc1NC1CC(F)(F)C1 |r|
BDBM210268 OC1CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1F |(-9.19,1.54,;-7.85,.77,;-6.52,1.54,;-5.19,.77,;-5.19,-.77,;-6.52,-1.54,;-7.85,-.77,;-3.85,-1.54,;-2.52,-.77,;-2.52,.77,;-1.18,-1.54,;-1.18,-3.08,;.15,-3.85,;1.48,-3.08,;2.82,-3.85,;4.15,-3.08,;4.15,-1.54,;5.48,-.77,;6.82,-1.54,;8.28,-1.06,;9.19,-2.31,;8.28,-3.56,;6.82,-3.08,;5.48,-3.85,;1.48,-1.54,;.15,-.77,;.15,.77,;1.48,1.54,;2.95,1.06,;3.85,2.31,;2.95,3.56,;1.48,3.08,;.15,3.85,)|
BDBM210627 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCC1F |r|
BDBM210283 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1(F)F |r|
BDBM210284 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1(F)F |r|
BDBM210287 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3c2)cc1NC1CCCC1(F)F |r|
BDBM210356 CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NCC(C)(C)F |r|
BDBM210357 CCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC(C)C |r|
BDBM210361 CC(C)Nc1cc(Nc2ccc3[nH]c(=O)oc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210362 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1ccccc1 |r|
BDBM210664 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCCC1F |r|
BDBM210668 CC(C)Nc1cc(Nc2ccc3cc(ccc3n2)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210670 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC2CC2C1(F)F |r|
BDBM210674 Cc1cn2nccc2nc1Nc1cc(NC2CCOCC2)c(cn1)C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210676 CC(C)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NCC(F)(F)C(C)(C)O
BDBM207999 CC(C)Nc1cc(Nc2ccc3nccnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM208000 CC(C)Nc1cc(Nc2ccc3nscc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM208001 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1cccc(CO)c1 |r|
BDBM208002 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3c2)cc1NC1CC1 |r|
BDBM208003 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1Nc1cccc(CCO)c1 |r|
BDBM208018 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCOC1 |r|
BDBM208019 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nc(N)ccc3c2)cc1NC1CC1 |r|
BDBM208020 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12C3CC11CC2(N)CC(C3)C1 |r,TLB:31:30:28.36:34.32,THB:29:30:28.36:34.32|
BDBM208021 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1cc(Cl)cc(Cl)c1 |r|
BDBM208022 CNC(=O)c1cc(F)c(Nc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1F |r|
BDBM208024 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NC1CC1 |r|
BDBM210132 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nccn3n2)cc1NC1CCC1 |r|
BDBM210136 CC(C)(C)CNc1cc(Nc2ccc3nccn3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210288 CC(C)(O)[C@H](F)CNC(=O)c1cnc(NC2=CC3SC=NC3C=C2)cc1NC1CC(C1)C(F)F |r,wU:4.4,c:19,23,t:15,(-8.62,5.25,;-7.85,3.92,;-6.52,4.69,;-9.19,3.15,;-6.52,3.15,;-6.52,1.61,;-5.19,3.92,;-3.85,3.15,;-2.52,3.92,;-2.52,5.46,;-1.18,3.15,;-1.18,1.61,;.15,.84,;1.48,1.61,;2.82,.84,;4.15,1.61,;5.48,.84,;6.82,1.61,;8.28,1.13,;9.19,2.38,;8.28,3.63,;6.82,3.15,;5.48,3.92,;4.15,3.15,;1.48,3.15,;.15,3.92,;.15,5.46,;1.48,6.23,;2.97,5.83,;3.37,7.32,;1.88,7.72,;4.7,8.09,;6.04,7.32,;4.7,9.63,)|
BDBM210298 CC(C)(O)[C@@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
BDBM210363 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1cccnc1 |r|
BDBM210375 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NS(C)(=O)=O |r|
BDBM210376 CCOC(=O)NC12CCC(CC1)(C2)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210385 CN(C)CC(=O)NC12CCC(CC1)(C2)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210386 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(CC1)(C2)NC(=O)c1ccncc1 |r|
BDBM210677 C[C@@H](CO)Nc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.27,wD:28.31,(1.31,4.52,;.91,3.03,;2,1.94,;3.49,2.34,;-.57,2.63,;-.97,1.14,;.12,.05,;-.28,-1.43,;.81,-2.52,;2.29,-2.12,;3.32,-3.27,;4.83,-2.95,;6.08,-3.85,;7.32,-2.95,;6.85,-1.48,;5.31,-1.48,;4.28,-.34,;2.77,-.66,;1.68,.43,;-1.77,-1.83,;-2.86,-.74,;-2.46,.74,;-3.55,1.83,;-3.15,3.32,;-5.04,1.43,;-5.44,-.05,;-4.35,-1.14,;-4.75,-2.63,;-6.23,-3.03,;-6.63,-4.52,;-7.32,-1.94,;-6.92,-.45,)|
BDBM210678 O[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(NC2=NC3SC=NC3C=C2F)cc1NC1CC1 |r,wU:4.7,wD:1.0,c:20,24,t:16,(-9.19,2.03,;-7.85,1.26,;-7.85,-.28,;-6.52,-1.05,;-5.19,-.28,;-5.19,1.26,;-6.52,2.03,;-3.85,-1.05,;-2.52,-.28,;-2.52,1.26,;-1.18,-1.05,;-1.18,-2.59,;.15,-3.36,;1.48,-2.59,;2.82,-3.36,;4.15,-2.59,;5.48,-3.36,;6.82,-2.59,;8.28,-3.07,;9.19,-1.82,;8.28,-.58,;6.82,-1.05,;5.48,-.28,;4.15,-1.05,;2.82,-.28,;1.48,-1.05,;.15,-.28,;.15,1.26,;1.48,2.03,;3.02,2.03,;2.25,3.36,)|
BDBM210682 CC(C)(F)CNc1cc(Nc2nc3scnc3cc2F)ncc1C(=O)NC1CCC(CC1)C(C)(C)O |(.82,3.47,;2.15,2.69,;2.15,4.23,;3.48,3.47,;2.15,1.15,;.82,.38,;.82,-1.15,;2.15,-1.93,;2.15,-3.47,;3.48,-4.23,;4.82,-3.47,;6.15,-4.23,;7.48,-3.47,;8.95,-3.94,;9.85,-2.69,;8.95,-1.45,;7.48,-1.93,;6.15,-1.15,;4.82,-1.93,;3.48,-1.15,;.82,-4.23,;-.52,-3.47,;-.52,-1.93,;-1.85,-1.15,;-1.85,.38,;-3.19,-1.93,;-4.52,-1.15,;-4.52,.38,;-5.85,1.15,;-7.19,.38,;-7.19,-1.15,;-5.85,-1.92,;-8.52,1.16,;-9.85,.39,;-8.52,2.7,;-9.85,1.93,)|
BDBM210683 CC(C)Nc1cc(Nc2cc3ccnn3cc2C)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210684 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1N[C@H]1CCC[C@H]1F |r|
BDBM206875 CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1C(=O)NC[C@@H](F)C(O)C(C)C |r|
BDBM210086 CC(C)Nc1cc(Nc2ccn3nc(C)cc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209846 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)Cn1ccnn1 |r|
BDBM209847 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CC1CCCOC1 |r|
BDBM209848 CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:6.5,wD:9.12,(-10.8,3.2,;-9.31,3.6,;-8.92,5.09,;-8.23,2.51,;-6.74,2.91,;-6.34,4.4,;-5.65,1.82,;-4.16,2.22,;-3.07,1.13,;-3.47,-.36,;-4.96,-.76,;-6.05,.33,;-2.38,-1.45,;-1.05,-.68,;-1.05,.86,;.29,-1.45,;.29,-2.99,;1.62,-3.76,;2.95,-2.99,;4.29,-3.76,;5.77,-3.36,;6.25,-1.89,;7.76,-1.57,;8.79,-2.72,;10.33,-2.72,;10.8,-4.18,;9.56,-5.09,;8.31,-4.18,;6.8,-4.5,;2.95,-1.45,;1.62,-.68,;1.62,.86,;2.95,1.63,;2.95,3.17,;4.49,1.63,)|
BDBM209849 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)C(=O)NCC(C)(C)O |r,wU:26.32,wD:23.25,(3.7,3.37,;3.7,1.83,;5.24,1.83,;2.36,1.06,;2.36,-.48,;3.7,-1.25,;3.7,-2.79,;5.03,-3.56,;6.52,-3.16,;6.99,-1.69,;8.5,-1.37,;9.53,-2.52,;11.07,-2.52,;11.55,-3.98,;10.3,-4.89,;9.05,-3.98,;7.55,-4.3,;2.36,-3.56,;1.03,-2.79,;1.03,-1.25,;-.31,-.48,;-.31,1.06,;-1.64,-1.25,;-2.73,-.16,;-2.33,1.33,;-3.42,2.42,;-4.91,2.02,;-5.3,.53,;-4.22,-.56,;-5.99,3.11,;-5.6,4.6,;-7.48,2.71,;-8.57,3.8,;-10.06,3.4,;-11.55,3,;-10.06,1.86,;-10.46,4.89,)|
BDBM209850 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:4.3,wD:7.10,(-10.06,3.95,;-8.97,2.86,;-7.48,3.25,;-7.08,4.74,;-6.39,2.17,;-4.91,2.56,;-3.82,1.48,;-4.22,-.01,;-5.7,-.41,;-6.79,.68,;-3.13,-1.1,;-1.79,-.33,;-1.79,1.21,;-.46,-1.1,;-.46,-2.64,;.87,-3.41,;2.21,-2.64,;3.54,-3.41,;5.03,-3.01,;5.51,-1.55,;7.01,-1.23,;8.04,-2.37,;9.58,-2.37,;10.06,-3.84,;8.81,-4.74,;7.57,-3.84,;6.06,-4.16,;2.21,-1.1,;.87,-.33,;.87,1.21,;2.21,1.98,;2.21,3.52,;3.75,1.98,)|
BDBM209413 CC(Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O)C1CC1 |r|
BDBM209415 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC(F)(F)C(C)(C)O |r|
BDBM209411 CC1CCCC1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209992 CC1COCCC1Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210225 CC(C)C(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCC[C@H]1O |r|
BDBM209418 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncoc3c2)cc1NCC(F)(F)F |r|
BDBM209419 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nc(O)sc3c2)cc1NC1CC1 |r|
BDBM209624 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCCC(CO)C1
BDBM209599 CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1C2CC3CC1CC(O)(C3)C2 |TLB:20:21:27:30.24.25,21:22:30:27.26.25,THB:23:22:27:30.24.25,23:24:27:22.21.31,21:26:30:22.23.31,(-7.19,-2.01,;-5.85,-2.78,;-4.52,-2.01,;-4.52,-.47,;-3.19,-2.78,;-3.19,-4.32,;-1.85,-5.09,;-.52,-4.32,;.82,-5.09,;2.15,-4.32,;2.15,-2.78,;3.48,-2.01,;4.82,-2.78,;6.28,-2.31,;7.19,-3.55,;6.28,-4.8,;4.82,-4.32,;3.48,-5.09,;-.52,-2.78,;-1.85,-2.01,;-1.85,-.47,;-2.62,.86,;-1.73,2.79,;-1.73,4.33,;-3.05,5.09,;-3.81,3.93,;-3.82,1.53,;-5.22,.88,;-4.39,2.79,;-5.93,2.79,;-4.39,4.33,;-3.05,2.01,)|
BDBM209597 CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1 |r|
BDBM210628 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCC1O |r|
BDBM210651 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1N[C@@H]1CCCC1F |r|
BDBM210697 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCCCC1(F)F |r|
BDBM210622 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCC1F |r|
BDBM210647 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCCOC1 |r|
BDBM209427 CC(C)Nc1cc(Nc2ccc3nnccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209428 CC(C)Nc1cc(Nc2cc(F)c3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209429 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC(F)(F)C1 |r|
BDBM209430 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CC1 |r|
BDBM209431 CC(C)Nc1cc(Nc2ccc3ncccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209432 COc1ncnc2ccc(Nc3cc(NC4CCOCC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc12 |r|
BDBM209433 CCNc1cc(Nc2ccc3ncnc(OC)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209434 CC(C)(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209435 CC(C)(F)CNc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209436 COc1ncnc2ccc(Nc3cc(NC4CC4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc12 |r|
BDBM209437 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCC1CC1 |r|
BDBM209438 CC(C)Nc1cc(Nc2ccc3ncoc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM207844 CC(C)C(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |r|
BDBM209440 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ccncc3c2)cc1NC1CC1 |r|
BDBM209441 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(O)(CC1)C2 |r|
BDBM209442 CC(C)(F)CNc1cc(Nc2ccc3ncccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209872 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:26.32,wD:23.25,(2.82,3.47,;2.82,1.93,;4.15,1.15,;1.48,1.15,;1.48,-.38,;2.82,-1.15,;2.82,-2.69,;4.15,-3.47,;5.48,-2.69,;5.48,-1.15,;6.82,-.38,;8.15,-1.15,;9.62,-.68,;10.52,-1.93,;9.62,-3.17,;8.15,-2.69,;6.82,-3.47,;1.48,-3.47,;.15,-2.69,;.15,-1.15,;-1.18,-.38,;-1.18,1.15,;-2.52,-1.15,;-3.85,-.38,;-3.85,1.15,;-5.19,1.93,;-6.52,1.15,;-6.52,-.38,;-5.19,-1.15,;-7.85,1.93,;-9.19,1.15,;-10.52,1.93,;-9.19,-.38,)|
BDBM209851 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[C@H](F)C1 |r|
BDBM209852 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCNC(C)=O
BDBM209443 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC(CO)C1 |r|
BDBM209444 CC(F)(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209447 CC(=O)NC12CCC(CC1)(C2)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209454 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12CCC(N)(CC1)C2 |r|
BDBM209455 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC12CCC(O)(CC1)C2 |r|
BDBM210347 CCC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209873 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccccn1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
BDBM209934 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cccnc1 |r,wU:26.32,wD:23.25,(4.15,3.08,;4.15,1.54,;5.48,.77,;2.82,.77,;2.82,-.77,;4.15,-1.54,;4.15,-3.08,;5.48,-3.85,;6.82,-3.08,;6.82,-1.54,;8.15,-.77,;9.48,-1.54,;10.95,-1.06,;11.85,-2.31,;10.95,-3.56,;9.48,-3.08,;8.15,-3.85,;2.82,-3.85,;1.48,-3.08,;1.48,-1.54,;.15,-.77,;.15,.77,;-1.18,-1.54,;-2.52,-.77,;-2.52,.77,;-3.85,1.54,;-5.19,.77,;-5.19,-.77,;-3.85,-1.54,;-6.52,1.54,;-7.85,.77,;-7.85,-.77,;-9.19,1.54,;-9.19,3.08,;-10.52,3.85,;-11.85,3.08,;-11.85,1.54,;-10.52,.77,)|
BDBM209935 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@H](N)CC1 |r,wU:26.29,wD:23.25,(1.48,3.47,;1.48,1.93,;2.82,1.15,;.15,1.15,;.15,-.38,;1.48,-1.15,;1.48,-2.69,;2.82,-3.47,;4.15,-2.69,;4.15,-1.15,;5.48,-.38,;6.82,-1.15,;8.28,-.68,;9.19,-1.93,;8.28,-3.17,;6.82,-2.69,;5.48,-3.47,;.15,-3.47,;-1.18,-2.69,;-1.18,-1.15,;-2.52,-.38,;-2.52,1.15,;-3.85,-1.15,;-5.19,-.38,;-5.19,1.15,;-6.52,1.93,;-7.85,1.15,;-9.19,1.93,;-7.85,-.38,;-6.52,-1.15,)|
BDBM210774 CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-7.85,1.54,;-7.85,3.08,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.82,-3.85,;8.15,-3.08,;9.62,-3.56,;10.52,-2.31,;9.62,-1.06,;8.15,-1.54,;6.82,-.77,;5.48,-1.54,;4.15,-.77,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)|
BDBM209456 CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC12C[C@H]3C[C@](C)(C[C@](O)(C3)C1)C2 |r,TLB:30:28:32:22.23.24,30:23:32:28.31.27,THB:29:28:32:22.23.24|
BDBM209595 CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
BDBM209596 CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]([C@H](O)CO)c1ccccc1 |r|
BDBM211092 CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCOC[C@@H]1F |r,wU:4.3,35.40,wD:7.10,30.33,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,;1.48,3.85,)|
BDBM211095 CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)N[C@H]1CC[C@@H](CC1)NC(C)=O |r,wU:27.33,wD:24.26,(2.82,3.47,;2.82,1.93,;4.15,1.15,;1.48,1.15,;1.48,-.38,;2.82,-1.15,;2.82,-2.69,;4.15,-3.47,;5.48,-2.69,;6.82,-3.47,;8.15,-2.69,;9.62,-3.17,;10.52,-1.93,;9.62,-.68,;8.15,-1.15,;6.82,-.38,;5.48,-1.15,;4.15,-.38,;1.48,-3.47,;.15,-2.69,;.15,-1.15,;-1.18,-.38,;-1.18,1.15,;-2.52,-1.15,;-3.85,-.38,;-3.85,1.15,;-5.19,1.93,;-6.52,1.15,;-6.52,-.38,;-5.19,-1.15,;-7.85,1.93,;-9.19,1.16,;-10.52,1.93,;-9.19,-.38,)|
BDBM211097 CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;6.82,-3.85,;8.15,-3.08,;9.62,-3.56,;10.52,-2.31,;9.62,-1.06,;8.15,-1.54,;6.82,-.77,;5.48,-1.54,;4.15,-.77,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)|
BDBM211104 CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1 |r,wU:4.3,wD:7.10,(-10.52,1.54,;-9.19,.77,;-9.19,-.77,;-7.85,1.54,;-6.52,.77,;-5.19,1.54,;-3.85,.77,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-2.52,-1.54,;-1.18,-.77,;-1.18,.77,;.15,-1.54,;.15,-3.08,;1.48,-3.85,;2.82,-3.08,;4.15,-3.85,;5.48,-3.08,;5.48,-1.54,;6.82,-.77,;8.15,-1.54,;9.62,-1.06,;10.52,-2.31,;9.62,-3.56,;8.15,-3.08,;6.82,-3.85,;2.82,-1.54,;1.48,-.77,;1.48,.77,;2.82,1.54,;4.15,.77,;5.48,1.54,;5.48,3.08,;4.15,3.85,;2.82,3.08,)|
BDBM211105 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cc2F)cc1NCC(F)(F)F |r|
BDBM210115 Cc1cc2nc(Nc3cc(NC4CCC(F)C4)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)ccn2n1 |r|
BDBM209409 CC(C)(C)CNc1cc(Nc2ccc3nccnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209445 CCC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209601 CN1CCCC1CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM209602 OC[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |r|
BDBM209603 O=C(NCCN1CCCC1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM209604 CC(=O)NCCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM209605 O=C(NCC#N)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM209606 O=C(NCCN1CCOCC1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM211107 CCNc1cc(Nc2cc3scnc3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM210576 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc3ncccc3n2)cc1NC1CCC(F)C1 |r|
BDBM211111 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NCC(F)(F)F |r|
BDBM211113 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2cc3scnc3cc2F)cc1NC1CCOCC1 |r|
BDBM211123 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2nc(N)sc2C1
BDBM211124 CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NCC(F)(F)C(C)(C)O
BDBM210637 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3scnc3cc2F)cc1NC1CCOCC1F |r|
BDBM209607 O=C(Nc1ccc(CN2CCOCC2)cc1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM209608 O=C(Nc1ccc(Cn2cncn2)cc1)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
BDBM209609 OC1CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1 |(-9.19,1.69,;-7.85,.92,;-6.52,1.69,;-5.19,.92,;-5.19,-.62,;-6.52,-1.39,;-7.85,-.62,;-3.85,-1.39,;-2.52,-.62,;-2.52,.92,;-1.18,-1.39,;-1.18,-2.93,;.15,-3.7,;1.48,-2.93,;2.82,-3.7,;4.15,-2.93,;4.15,-1.39,;5.48,-.62,;6.82,-1.39,;8.28,-.92,;9.19,-2.16,;8.28,-3.41,;6.82,-2.93,;5.48,-3.7,;1.48,-1.39,;.15,-.62,;.15,.92,;1.48,1.69,;2.95,1.21,;3.85,2.46,;2.95,3.7,;1.48,3.23,)|
BDBM209610 O=C[C@H](Cc1ccccc1)NCN1CCC(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC2CCCC2)CC1 |r|
BDBM209611 CCCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209612 CCCCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM211125 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)N[C@H]1CC[C@@H](CC1)[N+]([O-])=O |r,wU:23.25,wD:26.32,(3.48,1.15,;2.15,1.93,;2.15,3.47,;.82,1.15,;.82,-.38,;2.15,-1.15,;2.15,-2.69,;3.48,-3.47,;4.82,-2.69,;4.82,-1.15,;6.15,-.38,;7.48,-1.15,;8.95,-.68,;9.85,-1.93,;8.95,-3.17,;7.48,-2.69,;6.15,-3.47,;.82,-3.47,;-.52,-2.69,;-.52,-1.15,;-1.85,-.38,;-1.85,1.15,;-3.19,-1.15,;-4.52,-.38,;-5.85,-1.15,;-7.19,-.38,;-7.23,1.18,;-5.85,1.93,;-4.52,1.15,;-8.57,1.95,;-8.57,3.49,;-9.9,1.18,)|
BDBM211129 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(O)(CC1)c1ccnn1C |(4,.92,;2.67,1.69,;2.67,3.23,;1.33,.92,;1.33,-.62,;2.67,-1.39,;2.67,-2.93,;4,-3.7,;5.33,-2.93,;5.33,-1.39,;6.67,-.62,;8,-1.39,;9.47,-.92,;10.37,-2.16,;9.47,-3.41,;8,-2.93,;6.67,-3.7,;1.33,-3.7,;,-2.93,;,-1.39,;-1.33,-.62,;-1.33,.92,;-2.67,-1.39,;-4,-.62,;-5.33,-1.39,;-6.67,-.62,;-6.67,.92,;-6.67,2.46,;-5.33,1.69,;-4,.92,;-8,1.69,;-8,3.23,;-9.47,3.7,;-10.37,2.46,;-9.47,1.21,;-10.24,-.12,)|
BDBM211130 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC2(CC1)NC(=O)NC2=O |(2.97,.16,;1.63,.93,;1.63,2.47,;.3,.16,;.3,-1.38,;1.63,-2.15,;1.63,-3.69,;2.97,-4.46,;4.3,-3.69,;4.3,-2.15,;5.63,-1.38,;6.97,-2.15,;8.43,-1.68,;9.34,-2.92,;8.43,-4.17,;6.97,-3.69,;5.63,-4.46,;.3,-4.46,;-1.03,-3.69,;-1.03,-2.15,;-2.37,-1.38,;-2.37,.16,;-3.7,-2.15,;-4.79,-1.06,;-6.28,-1.46,;-7.37,-.37,;-6.97,1.11,;-5.48,1.51,;-4.39,.42,;-6.97,2.65,;-8.43,3.13,;-9.2,4.46,;-9.34,1.88,;-8.43,.64,;-9.2,-.7,)|
BDBM211131 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCC(=O)CC1
BDBM211132 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2nnnn2CC1 |w:22.25|
BDBM210262 Cc1nc2ccc(Nc3cc(NC4CCCC4F)c(cn3)C(=O)NC[C@@H](F)C(C)(C)O)cc2s1 |r|
BDBM209613 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCO |r|
BDBM209614 CC(C)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209615 CC(C)CCNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209616 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCN1CCOCC1 |r|
BDBM209617 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCCc1ccccc1 |r|
BDBM209618 Cc1ccccc1CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM209619 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCc1ccc(Cl)cc1 |r|
BDBM209620 COc1ccc(CNc2cc(Nc3ccc4ncsc4c3)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 |r|
BDBM209621 CC1(O)CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1 |(-9.19,2.03,;-7.85,1.26,;-9.19,.49,;-6.52,2.03,;-5.19,1.26,;-5.19,-.28,;-6.52,-1.05,;-7.85,-.28,;-3.85,-1.05,;-2.52,-.28,;-2.52,1.26,;-1.18,-1.05,;-1.18,-2.59,;.15,-3.36,;1.48,-2.59,;2.82,-3.36,;4.15,-2.59,;4.15,-1.05,;5.48,-.28,;6.82,-1.05,;8.28,-.58,;9.19,-1.82,;8.28,-3.07,;6.82,-2.59,;5.48,-3.36,;1.48,-1.05,;.15,-.28,;.15,1.26,;1.48,2.03,;3.02,2.03,;2.25,3.36,)|
BDBM209622 CC(C)(O)C(F)(F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC1
BDBM209623 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC(F)(F)C(C)(C)O
BDBM207850 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)(C1CC1)C(F)(F)F |r|
BDBM206786 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(O)C(F)(F)F |r|
BDBM209626 CC(C)(O)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CC[C@H](F)CC1 |r,wU:26.28,29.32,(-9.19,-1.54,;-7.85,-.77,;-7.85,.77,;-9.19,,;-6.52,-1.54,;-5.19,-.77,;-3.85,-1.54,;-2.52,-.77,;-2.52,.77,;-1.18,-1.54,;-1.18,-3.08,;.15,-3.85,;1.48,-3.08,;2.82,-3.85,;4.15,-3.08,;4.15,-1.54,;5.48,-.77,;6.82,-1.54,;8.28,-1.06,;9.19,-2.31,;8.28,-3.56,;6.82,-3.08,;5.48,-3.85,;1.48,-1.54,;.15,-.77,;.15,.77,;1.48,1.54,;2.82,.77,;4.15,1.54,;4.15,3.08,;5.48,3.85,;2.82,3.85,;1.48,3.08,)|
BDBM209627 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C |r|
BDBM209628 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC12CCC(O)(CC1)C2
BDBM209629 CC(C)NC(=O)N[C@H](C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r|
BDBM209630 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@H](C)NC(C)=O |r|
BDBM209631 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@H](C)NC(=O)CC(C)(C)O |r|
BDBM209632 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(C)=O |r|
BDBM209633 CC(C)NC(=O)N[C@@H](C)CCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r|
BDBM209634 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)N1CCOCC1 |r|
BDBM209635 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)OC(C)C |r|
BDBM209636 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)C1CCCC1 |r|
BDBM209637 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)c1ccccc1 |r|
BDBM209648 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1CCC(F)(F)C1 |r|
BDBM206782 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)C(C)C |r|
BDBM206784 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(O)C1CC1 |r|
BDBM209650 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)[C@@H]1CC[C@@H](F)C1 |r|
BDBM209656 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CC1CCCCC1(F)F |r|
BDBM209680 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CC1CCOCC1 |r|
BDBM209681 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CCCC(C)(C)O |r|
BDBM209688 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CCCCC(C)(C)O |r|
BDBM209845 CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC[C@@H](C)NC(=O)CN(C)C |r|
BDBM209373 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NCC1CCCO1 |r|
BDBM210254 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H]1CCCC1F |r|
BDBM208010 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCC(CCO)C1 |r|
BDBM210220 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H]1CCCC(O)C1 |r|
BDBM210426 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1F |r|
BDBM209395 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1NC1CCC1 |r|
BDBM210280 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3nonc3c2)cc1N[C@@H]1CCCC1F |r|
BDBM210117 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |r|
BDBM210358 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCC(F)(F)C1 |r|
BDBM210405 CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CCC(F)C1 |r|
BDBM210686 CC(C)(O)C1CCC(CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCOC1 |(-9.85,.77,;-8.52,1.54,;-8.52,3.08,;-9.85,2.31,;-7.19,.77,;-5.85,1.54,;-4.52,.77,;-4.52,-.77,;-5.85,-1.54,;-7.19,-.77,;-3.19,-1.54,;-1.85,-.77,;-1.85,.77,;-.52,-1.54,;-.52,-3.08,;.82,-3.85,;2.15,-3.08,;3.48,-3.85,;4.82,-3.08,;4.82,-1.54,;6.15,-.77,;7.48,-1.54,;8.95,-1.06,;9.85,-2.31,;8.95,-3.56,;7.48,-3.08,;6.15,-3.85,;2.15,-1.54,;.82,-.77,;.82,.77,;2.15,1.54,;2.15,3.08,;3.48,3.85,;4.82,3.08,;4.82,1.54,;3.48,.77,)|
BDBM210062 CC(C)Nc1cc(Nc2ccn3ncc(Cl)c3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
BDBM278796 OC(=O)C(F)(F)F.N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccccc3Br)n2n1 |r|
BDBM278797 OC(=O)C(F)(F)F.O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3Br)n2n1 |r|
BDBM278798 OC(=O)C(F)(F)F.N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3cscc3C(F)F)n2n1 |r|
BDBM278799 OC(=O)C(F)(F)F.O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
BDBM278800 OC(=O)C(F)(F)F.N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
BDBM278801 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1ccc2ccc(nn12)N1CCNCC1
BDBM278902 OC(=O)C(F)(F)F.Brc1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
BDBM278903 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1CCNCC2(CC2)C1
BDBM278904 OC(=O)C(F)(F)F.N[C@@H]1CCCN(C1)c1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1 |r|
BDBM278905 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCNC3)nc12 |r|
BDBM278906 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1CCNCC1
BDBM278907 OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Br)c2n1 |r|
BDBM278908 OC(=O)C(F)(F)F.Brc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2 |r|
BDBM278802 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1ccc2ccc(nn12)N1CC2CCC1CN2
BDBM278803 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1ccc2ccc(nn12)N1CCNCC2(CC2)C1
BDBM278804 OC(=O)C(F)(F)F.O[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
BDBM278805 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1ccc2ccc(N[C@@H]3CCCNC3)nn12 |r|
BDBM278806 OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
BDBM278807 OC(=O)C(F)(F)F.N[C@@H]1CCCN(C1)c1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
BDBM278808 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1ccc2ccc(N[C@@H]3CCCCNC3)nn12 |r|
BDBM278909 OC(=O)C(F)(F)F.Brc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r|
BDBM278910 OC(=O)C(F)(F)F.FC(F)(F)c1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
BDBM278911 OC(=O)C(F)(F)F.Clc1ccccc1NC(=O)c1csc2ncc(nc12)N1CCCNCC1
BDBM278912 OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Cl)c2n1 |r|
BDBM278913 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@H]3CCCCNC3)nc12 |r|
BDBM278914 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCCNC3)nc12 |r|
BDBM278915 OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1 |r|
BDBM278706 Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@@H]3CN[C@@H](C3)C2)c(n1)C(F)(F)F |r|
BDBM278707 Cn1cc(NC(=O)c2ccc3ccc(nn23)N2C[C@H]3CN[C@H](C3)C2)c(n1)C(F)(F)F |r|
BDBM278809 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1ccc2ccc(N[C@H]3CCCCNC3)nn12 |r|
BDBM278810 OC(=O)C(F)(F)F.N[C@@H]1[C@@H](CCCC1(F)F)Nc1ccc2ccc(C(=O)Nc3ccccc3C#N)n2n1 |r|
BDBM278811 OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccccc3C(F)F)n2n1 |r|
BDBM278812 OC(=O)C(F)(F)F.FC(F)(F)c1sccc1NC(=O)c1ccc2ccc(nn12)N1C[C@@H]2CC[C@H]1CN2 |r|
BDBM278813 OC(=O)C(F)(F)F.FC(F)(F)c1sccc1NC(=O)c1ccc2ccc(nn12)N1C[C@H]2CC[C@@H]1CN2 |r|
BDBM278814 OC(=O)C(F)(F)F.FC(F)(F)c1sccc1NC(=O)c1ccc2ccc(nn12)N1CCCNCC1
BDBM278916 N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccccc3Br)c2n1 |r|
BDBM278917 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2 |r|
BDBM278918 OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r|
BDBM278919 OC(=O)C(F)(F)F.Clc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@@H]2CC[C@H]1CN2 |r|
BDBM278920 OC(=O)C(F)(F)F.Clc1ccccc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r|
BDBM278921 OC(=O)C(F)(F)F.N[C@@H]1[C@@H](CCCC1(F)F)Nc1cnc2scc(C(=O)Nc3ccccc3Cl)c2n1 |r|
BDBM278922 OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1 |r|
BDBM278708 OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4O)nn23)c(n1)C(F)(F)F |r|
BDBM278709 OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r|
BDBM278710 OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nn23)c(n1)C(F)(F)F |r|
BDBM278712