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955 SMILES Strings for 3-phosphoinositide dependent protein kinase-1

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7393 O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
BDBM7401 Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
BDBM10995 CN[C@@H]1CCc2ccccc12 |r|
BDBM10838 Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
BDBM10840 Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
BDBM11242 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16589 COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
BDBM16590 c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
BDBM16591 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM16982 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(O)=O)c2c1
BDBM16983 Cc1c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)[nH]cc1C(O)=O
BDBM16984 Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(NC(N)=O)cc12
BDBM16985 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c(C)c1CCC(O)=O
BDBM16986 CN(C)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
BDBM16987 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCCCC3)c2c1
BDBM16988 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCOCC3)c2c1
BDBM16989 CN(C)[C@H]1CCN(C1)C(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1 |r|
BDBM16990 NC(=O)Nc1ccc2NC(=O)C(=Cc3cc(c[nH]3)C(=O)NCCc3cnc[nH]3)c2c1 |w:12.12|
BDBM16991 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCc3ccncc3)c2c1
BDBM16992 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3ccccc3)c2c1
BDBM16993 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccnc3)c2c1
BDBM16994 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(O)=O)c2c1
BDBM16995 CN(C)CCNC(=O)c1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
BDBM16996 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(=O)NCCN3CCCCC3)c2c1
BDBM16997 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(O)c3)c2c1
BDBM16998 COc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
BDBM16999 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(F)c3)c2c1
BDBM17000 Cc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
BDBM17001 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(N)=O)c2c1
BDBM17002 CC(=O)Nc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
BDBM17003 NCc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
BDBM17004 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
BDBM17005 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CN)c[nH]1
BDBM17006 CC(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
BDBM17007 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2ccncc2)c[nH]1
BDBM17008 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2cccnc2)c[nH]1
BDBM17009 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CCNCC2)c[nH]1
BDBM17010 CN1CCC(CC1)C(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
BDBM17011 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CNCCN2)c[nH]1
BDBM17012 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CN)c[nH]1
BDBM17013 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CO)c[nH]1
BDBM17014 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1
BDBM17016 Cc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
BDBM17017 Cc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM16981 NC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17018 Cc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
BDBM17019 Oc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
BDBM17020 Oc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17021 Oc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
BDBM17022 Oc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
BDBM17023 C\C(=C1\C(=O)Nc2ccc(O)cc12)c1ccc[nH]1
BDBM17015 O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
BDBM17024 Cc1cc[nH]c1\C=C1/C(=O)Nc2ccc(O)cc12
BDBM17025 Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(O)cc23)c1
BDBM17026 Cc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
BDBM17027 CCc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
BDBM17028 Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
BDBM17029 COc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17030 NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17031 COC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17032 OC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17033 NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17034 O=C1Nc2ccc(cc2C1=Cc1ccc[nH]1)-c1nnn[nH]1 |w:10.12|
BDBM17035 Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17036 O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)C#N
BDBM17037 NCc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17038 CS(=O)(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17039 CC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17040 C\C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)c1ccc[nH]1
BDBM17041 CC\C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)c1ccc[nH]1
BDBM17042 NS(=O)(=O)c1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3ccccc3)c2c1
BDBM17043 CCOC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
BDBM17044 NS(=O)(=O)c1ccc2NC(=O)\C(=C(\C(O)=O)c3ccc[nH]3)c2c1
BDBM17045 NC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
BDBM17046 CCNC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
BDBM17047 CCN(CC)C(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
BDBM17048 CC\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
BDBM17049 NC(=O)Nc1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3cccc(N)c3)c2c1
BDBM17050 NC(=O)Nc1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3ccncc3)c2c1
BDBM17051 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
BDBM17052 Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
BDBM17053 CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM19252 COc1cc2c(cc1NCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19087 COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
BDBM19088 COc1cc2ncc3cnc4ccccc4c3c2cc1OC
BDBM19089 COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC
BDBM19090 COc1cc2ncc3c(N)nc4c(C)cccc4c3c2cc1OC
BDBM19091 COc1cc2ncc3c(N)nc4c(C)c(O)ccc4c3c2cc1OC
BDBM19092 COc1cc2ncc3c(N)nc4c(C)c(Cl)ccc4c3c2cc1OC
BDBM19093 CCOc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OCC
BDBM19094 COc1cc2c(cc1F)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19095 COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19096 COc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19097 COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19098 COc1cc2c(cc1OCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19099 COc1cc2c(cc1OCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
BDBM19100 COc1cc2c(cc1OCCC(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
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
BDBM27504 O=c1[nH]cnc2ccccc12
BDBM26198 CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
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
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM33210 C1CN(CCO1)c1ncnc2nc[nH]c12
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM51645 COc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
BDBM56130 OC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc12
BDBM81296 Brc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
BDBM92405 Cc1[nH]nc(-c2nc3cc4c[nH][nH]c4cc3n2)c1C(=O)NC1CCNCC1
BDBM92406 Fc1ccc(Cn2cccc(C(=O)NC(COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F
BDBM92404 Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
BDBM92402 CC(Nc1nc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)C#CC1CC1)C(C)(C)C
BDBM92403 COc1ccc(cc1)C#Cc1ccc2ncc3ncn(-c4ccc(CCN)cc4)c3c2c1
BDBM92490 Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Br)cc21
BDBM92492 CCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C |r,THB:14:13:10.11:6.8.7|
BDBM92493 CCCCCNC(=O)O[C@@H]1CC[C@@H]2[C@H](C[C@H]1N2CCC(C)C)C(=O)Nc1ccc(cc1)N(C)C |r,THB:17:16:13.14:9.11.10|
BDBM11639 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM103919 O=C(Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1)C1CC1
BDBM103920 FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
BDBM103921 CC1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
BDBM103922 FC1(F)CCC(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103923 O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CC1
BDBM103924 FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103925 FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1
BDBM103926 FC1(F)CC1C(=O)Nc1cccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c12
BDBM103927 Brc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103928 O=C(NC1CC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103929 Fc1cccc(c1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103930 CS(=O)(=O)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103931 FC(F)(F)c1cccc(c1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103932 CC(C)([N+]#[C-])c1ccc(cc1)-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103933 Fc1ccc(NC(=O)Nc2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c(F)c1
BDBM103934 CN1CCC(C)(CC1)C(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103935 O=C(NC1CCCC1)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
BDBM103936 O=C(Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C1CCN(CC1)c1ccncc1
BDBM103937 FC1(F)CC1C(=O)Nc1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCOCC1
BDBM103938 FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
BDBM103939 CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
BDBM104016 OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1Sc1ccc(Cl)cc1
BDBM104018 OC(=O)C(C(CC(=O)c1ccc(Cl)cc1)c1ccccc1)C(O)=O
BDBM105403 CN(c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)C(C)(C)C
BDBM105311 COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM105312 Cc1c(ccc2ncc(cc12)-c1ccccc1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105313 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncccc4c3)c2=O)cc1F
BDBM105379 CN1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(C(CO)c3cc(F)c(F)c(F)c3)c2=O)C1 |r|
BDBM105380 CC(C)N1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1 |r|
BDBM105381 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OC[C@@H]5CCCNC5)c4c3)c2=O)cc1F |r|
BDBM105382 CCNc1c(cnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)[N+]([O-])=O
BDBM105383 CNc1c(cnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)[N+]([O-])=O
BDBM105384 CC(C)Nc1c(cnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)[N+]([O-])=O
BDBM105385 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105386 CN1CC(C1)Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105387 CN(CCc1ccccc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105388 CN(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105389 CN(Cc1ccccc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105390 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCc5ccco5)c4c3)c2=O)cc1F
BDBM105391 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCc5ccccn5)c4c3)c2=O)cc1F
BDBM105392 COc1ccc(CCNc2ncnc3ccc(cc23)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)cc1OC
BDBM105393 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(N5CCNCC5)c4c3)c2=O)cc1F
BDBM105394 CN(C)CCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105395 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCCn5ccnc5)c4c3)c2=O)cc1F
BDBM105396 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCCc5cccs5)c4c3)c2=O)cc1F
BDBM105397 OC(CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)c1ccccc1
BDBM105398 COCCCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105399 CC(CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)c1ccccc1
BDBM105400 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NCC(=O)c5ccccc5)c4c3)c2=O)cc1F
BDBM105401 NC(=O)[C@@H](Cc1ccccc1)Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM105402 COc1ccc(CCNc2ncnc3ccc(cc23)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)cc1
BDBM105404 CN(C1CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105405 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NC5CCOCC5)c4c3)c2=O)cc1F
BDBM105314 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)-c3ccccc3)c2=O)cc1F
BDBM105315 COC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
BDBM105406 CN(C1CCCCC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105407 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(NC5CCN(Cc6ccccc6)CC5)c4c3)c2=O)cc1F
BDBM105408 OCCN1CCC(CC1)Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105409 CC1CN(C)CCC1Nc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105410 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccsc2)c1=O
BDBM105411 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncnc(N5CCCC5)c4c3)c2=O)cc1F
BDBM105412 CNCCCN(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105413 CN1CCCN(CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105414 CC(=O)N[C@@H]1CCN(C1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM105415 O[C@H]1CCN(C1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM105416 CC(C)(CO)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105417 NC(=O)CCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105418 CN(CCCO)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105419 NC(=O)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105420 CC1(CNc2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)COC1
BDBM105421 OCC(O)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105422 CN1CCC(CNc2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1
BDBM105423 CN1CCCC1CCNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105424 CN(C)C1CCN(CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105425 CC1(O)CCN(CC1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105426 CN(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccn[nH]2)c1=O
BDBM105427 CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM105428 CN(Cc1cnn(c1)-c1ccc(F)cc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105429 COc1cccc(CN(C)c2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1
BDBM105430 CN(Cc1cccc2ncccc12)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105431 CCN1CCC(CN(C)c2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1
BDBM105432 CN(c1ccccc1)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105433 CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1c(C)n(CCO)n(Cc2ccc(F)c(F)c2)c1=O
BDBM105434 CN(C)C(=O)CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105435 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccoc2)c1=O
BDBM105436 COc1ccc(CN(C)c2ncnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)cc1
BDBM105437 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccccc2F)c1=O
BDBM105438 CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn(C(C)c2ccc(F)c(F)c2)c1=O
BDBM105439 CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@@H](C)c2ccccc2)c1=O |r|
BDBM105440 CCN(CC)c1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@H](CO)c2ccccc2)c1=O |r|
BDBM105441 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cc(NCCN(C)C)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM105442 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM105443 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cc(OC)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM105444 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM105445 CONc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105446 CON(C)c1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105447 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1cccn([C@H](CO)c2ccccc2)c1=O |r|
BDBM105448 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(-c5cn[nH]c5)c4c3)c2=O)cc1F
BDBM105449 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(-c5ccccc5)c4c3)c2=O)cc1F
BDBM105450 Cc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105451 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncnc(C5=CCNCC5)c4c3)c2=O)cc1F |t:25|
BDBM105316 Cc1c(ccc2ncc(cc12)C(O)=O)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105317 CNC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
BDBM105318 CN(C)C(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
BDBM105319 Oc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105320 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(OC5CCNCC5)cc4c3)c2=O)cc1F
BDBM105321 CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105322 CN(C)CCCN(C)c1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105323 CN(C)c1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105324 COc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105325 COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105326 CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105327 CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105328 CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105329 CC(C)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105452 CN(C)CCCNC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105455 CCN(CC)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105456 CNC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105457 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)C(=O)NC3CC3)c2=O)cc1F
BDBM105458 CN1CCC(CC1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105484 CCN(CC)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105330 CC(C)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105331 CN(C)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105485 CC(C)N(C)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105486 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(C#N)c(NCc5ccccc5)c4c3)c2=O)cc1F
BDBM105487 CCN(C)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105488 CC(C)Nc1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105489 CNc1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105490 CN(CCc1ccccc1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105332 CN(C)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105333 CN1CCN(CCCOc2ccnc3ccc(cc23)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)CC1
BDBM105334 CN1CCCC(COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)C1
BDBM105335 CN(C)CC(C)(C)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105336 CN(C)CC(C)(C)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105337 CN(C)CC(O)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105338 CN(C)CC(O)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105339 CN1CCC(C1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105340 CN1CCC(C1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105341 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCCO5)c4c3)c2=O)cc1F
BDBM105342 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCCO5)c4c3)c2=O)cc1F
BDBM105343 COC(C)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105344 CN1CCC(CC1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105345 CN1CCC(CC1)Oc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105346 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OC5CCNCC5)c4c3)c2=O)cc1F
BDBM105347 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OC5CCNCC5)c4c3)c2=O)cc1F
BDBM105348 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(NC5CC5)c4c3)c2=O)cc1F
BDBM105349 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(NC5CC5)c4c3)c2=O)cc1F
BDBM105350 CN(C)CCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105351 CN(C)CCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105352 CN(C)CCCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105353 CN(C)CCCNc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105354 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCO5)c4c3)c2=O)cc1F
BDBM105355 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCNC5)c4c3)c2=O)cc1F
BDBM105356 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCNC5)c4c3)c2=O)cc1F
BDBM105357 CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCCCN(C)C)c3c2)c1=O
BDBM105358 CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
BDBM105359 CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCN(C)C4)c3c2)c1=O |r|
BDBM105360 CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
BDBM105361 CN(C)CCCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105362 OCC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCC4CCOC4)c3c2)c1=O
BDBM105363 CN(C)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
BDBM105364 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(OCC5CCOCC5)c4c3)c2=O)cc1F
BDBM105365 CC(N)CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105366 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OCC5CCCOC5)c4c3)c2=O)cc1F
BDBM105367 CN1CC[C@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1 |r|
BDBM105368 CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O |r|
BDBM105369 CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O |r|
BDBM105370 CN1CC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1 |r|
BDBM105371 CCN(CC)CCCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105372 CC(C)(C)COc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
BDBM105373 CCOc1ccnc2ccc(cc12)C#CCNC(=O)c1cccn(C(CO)c2ccc(F)c(F)c2)c1=O
BDBM105374 OCC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCC4CCOCC4)c3c2)c1=O
BDBM105375 CN1CCC[C@@H](COc2ccnc3ccc(cc23)C#CCNC(=O)c2cccn(Cc3cc(F)c(F)c(F)c3)c2=O)C1 |r|
BDBM105377 Fc1cc(Cn2cccc(C(=O)NCC#Cc3ccc4nccc(OC[C@@H]5CCCN(CCN6CCOCC6)C5)c4c3)c2=O)cc(F)c1F |r|
BDBM105378 C[C@@H](c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(CCN5CCOCC5)C4)c3c2)c1=O |r|
BDBM105460 CCNC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105461 CC(C)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105462 CCN1CCN(CC1)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105463 CN(C)CCCN(C)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105464 CN1CCCC(C1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105465 CN1CC(C1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105466 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)C(=O)N3CCOCC3)c2=O)cc1F
BDBM105467 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(cc4c3)C(=O)N3CCNCC3)c2=O)cc1F
BDBM105468 CN1CCN(CC1)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105469 COCCN1CCN(CC1)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105470 CN(C)C(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105471 CN1CCC(C1)NC(=O)c1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105472 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(-c5cc[nH]c5)c4c3)c2=O)cc1F
BDBM105473 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(-c5cn[nH]c5)c4c3)c2=O)cc1F
BDBM105474 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(C5=CCNCC5)c4c3)c2=O)cc1F |t:25|
BDBM105475 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4nccc(C5=CCCNC5)c4c3)c2=O)cc1F |t:25|
BDBM105476 Cc1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105477 Cc1n[nH]cc1-c1ccnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105478 CN(C)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105479 CN(C1CCCCC1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105480 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(C#N)c(NCCc5ccccc5)c4c3)c2=O)cc1F
BDBM105481 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(C#N)c(NCC5CCCCC5)c4c3)c2=O)cc1F
BDBM105482 CN(Cc1ccccc1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105483 CN(CC1CCCCC1)c1c(cnc2ccc(cc12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)C#N
BDBM105245 CN(C)CCNc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105246 CN(C)CCCN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105247 CNc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105248 CN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105249 CN1CCC(C1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105250 CN(C)CCCOc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105251 CN(C)CCSc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105252 CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105254 CN1CCCC(C1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105255 CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105256 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5CC5)nc4c3)c2=O)cc1F
BDBM105257 CN1CCN(CC1)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105258 CN(C)CC(C)(C)CNc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105259 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCCCC5)nc4c3)c2=O)cc1F
BDBM105260 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCNCC5)nc4c3)c2=O)cc1F
BDBM105261 CN(C1CCN(C)CC1)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105262 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CC(C5)N5CCCC5)nc4c3)c2=O)cc1F |(8.67,-.76,;7.34,.01,;7.34,1.55,;6,2.32,;4.67,1.55,;3.33,2.32,;3.33,3.86,;4.67,4.63,;4.67,6.17,;3.33,6.94,;2,6.17,;.67,6.94,;.67,8.48,;-.67,6.17,;-.67,4.63,;-2,3.86,;-3.33,3.09,;-4.67,2.32,;-6,3.09,;-7.34,2.32,;-7.34,.78,;-8.67,.01,;-8.67,-1.53,;-7.34,-2.3,;-7.34,-3.84,;-6,-4.61,;-5.6,-6.1,;-4.12,-5.7,;-4.51,-4.21,;-2.78,-6.47,;-2.78,-8.01,;-1.32,-8.48,;-.41,-7.24,;-1.32,-5.99,;-6,-1.53,;-6,.01,;-4.67,.78,;2,4.63,;.67,3.86,;4.67,.01,;6,-.76,;6,-2.3,)|
BDBM105263 C[C@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(C)CC4)nc3c2)c1=O |r|
BDBM105264 CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105265 CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@H](CO)c2ccccc2)c1=O |r|
BDBM105266 N[C@H]1CC[C@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:4.7,1.0,(-2,-7.7,;-3.33,-6.93,;-4.67,-7.7,;-6,-6.93,;-6,-5.39,;-4.67,-4.62,;-3.33,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;-.67,5.39,;.67,6.16,;.67,7.7,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;6,-1.54,;6,-3.08,;4.67,-.77,;2,3.85,;.67,3.08,)|
BDBM105267 N[C@H]1CC[C@@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:1.0,wD:4.7,(-2,-7.7,;-3.33,-6.93,;-4.67,-7.7,;-6,-6.93,;-6,-5.39,;-4.67,-4.62,;-3.33,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;-.67,5.39,;.67,6.16,;.67,7.7,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;6,-1.54,;6,-3.08,;4.67,-.77,;2,3.85,;.67,3.08,)|
BDBM105268 CC(C)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105269 CN1CCN(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105270 COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105271 CN1CCC(CC1)Oc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105272 O[C@H]1CC[C@@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:1.0,wD:4.7,(-2,-7.7,;-3.33,-6.93,;-4.67,-7.7,;-6,-6.93,;-6,-5.39,;-4.67,-4.62,;-3.33,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;-.67,5.39,;.67,6.16,;.67,7.7,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,3.08,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;8.67,-1.54,;6,-1.54,;6,-3.08,;4.67,-.77,;2,3.85,;.67,3.08,)|
BDBM105273 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCOCC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(8.67,-.39,;7.34,.38,;7.34,1.92,;6,2.69,;4.67,1.92,;3.33,2.69,;3.33,4.23,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;.67,7.31,;.67,8.85,;-.67,6.54,;-.67,5,;-2,4.23,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-8.67,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-6,-4.24,;-4.67,-3.47,;-3.33,-4.24,;-3.33,-5.78,;-4.67,-6.55,;-6,-5.78,;-2,-6.55,;-2,-8.09,;-.67,-8.85,;.67,-8.09,;.67,-6.55,;-.67,-5.78,;-6,-1.16,;-6,.38,;-4.67,1.15,;2,5,;.67,4.23,;4.67,.38,;6,-.39,;6,-1.93,)|
BDBM105275 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(8.67,-.38,;7.34,.38,;7.34,1.93,;6,2.69,;4.67,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;.67,7.31,;.67,8.85,;-.67,6.54,;-.67,5,;-2,4.23,;-3.33,3.47,;-4.67,2.69,;-6,3.47,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-8.67,-1.15,;-7.34,-1.93,;-7.34,-3.47,;-6,-4.23,;-4.67,-3.47,;-3.33,-4.23,;-3.33,-5.78,;-4.67,-6.54,;-6,-5.78,;-2,-6.54,;-2,-8.08,;-.67,-8.85,;.67,-8.08,;2,-8.85,;3.33,-8.08,;4.87,-8.08,;4.1,-6.75,;.67,-6.54,;-.67,-5.78,;-6,-1.15,;-6,.38,;-4.67,1.15,;2,5,;.67,4.23,;4.67,.38,;6,-.38,;6,-1.93,)|
BDBM105276 CN(C)[C@H]1CC[C@@H](CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r,wU:3.2,wD:6.9,(-2,-8.47,;-2,-6.93,;-.67,-6.16,;-3.33,-6.16,;-4.67,-6.93,;-6,-6.16,;-6,-4.62,;-4.67,-3.85,;-3.33,-4.62,;-7.34,-3.85,;-7.34,-2.31,;-8.67,-1.54,;-8.67,,;-7.34,.77,;-7.34,2.31,;-6,3.08,;-4.67,2.31,;-4.67,.77,;-6,,;-6,-1.54,;-3.33,3.08,;-2,3.85,;-.67,4.62,;-.67,6.16,;.67,6.93,;.67,8.47,;2,6.16,;3.33,6.93,;4.67,6.16,;4.67,4.62,;3.33,3.85,;3.33,2.31,;4.67,1.54,;6,2.31,;7.34,1.54,;7.34,,;8.67,-.77,;6,-.77,;6,-2.31,;4.67,,;2,4.62,;.67,3.85,)|
BDBM105277 NC1CCC(C1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105278 CCN1CC[C@@H](Nc2cnc3ccc(cc3n2)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)[C@@H](F)C1 |r|
BDBM105279 CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105280 CCN1CC[C@H](Nc2cnc3ccc(cc3n2)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)[C@H](F)C1 |r|
BDBM105281 COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
BDBM105282 COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105283 CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
BDBM105284 CCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM105285 COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM105286 COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
BDBM105287 Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5COC5)nc4c3)c2=O)cc1F
BDBM105288 COCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r|
BDBM105289 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5COC5)nc4c3)c2=O)cc1F
BDBM105290 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc(NC5CCN(CC5)C5COC5)nc4c3)c2=O)cc1F
BDBM105291 C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(CC4)C4COC4)nc3c2)c1=O |r|
BDBM105292 OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCOCC4)nc3c2)c1=O |r,wU:2.9,28.28,wD:31.35,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
BDBM105293 Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCOCC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(9.34,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;4,3.08,;5.33,3.85,;5.33,5.39,;4,6.16,;2.67,5.39,;1.33,6.16,;1.33,7.7,;,5.39,;-1.33,6.16,;-2.67,5.39,;-4,4.62,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-9.34,1.54,;-9.34,,;-8,-.77,;-8,-2.31,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-2.67,-5.39,;-2.67,-6.93,;-1.33,-7.7,;,-6.93,;,-5.39,;-1.33,-4.62,;-6.67,,;-6.67,1.54,;-5.33,2.31,;2.67,3.85,;1.33,3.08,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,)|
BDBM105294 OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CC5)CC4)nc3c2)c1=O |r,wU:2.10,29.29,wD:32.36,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;6,-.77,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;2,-7.7,;3.33,-6.93,;4.87,-6.93,;4.1,-5.6,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
BDBM105295 Fc1ccc(Cn2nccc(C(=O)NCC#Cc3ccc4ncc(N[C@H]5CC[C@@H](CC5)N5CCN(CC6CC6)CC5)nc4c3)c2=O)cc1F |r,wU:25.24,wD:28.31,(9.34,-1.54,;8,-.77,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;4,3.08,;5.33,3.85,;5.33,5.39,;4,6.16,;2.67,5.39,;1.33,6.16,;1.33,7.7,;,5.39,;-1.33,6.16,;-2.67,5.39,;-4,4.62,;-5.33,3.85,;-6.67,4.62,;-8,3.85,;-8,2.31,;-9.34,1.54,;-9.34,,;-8,-.77,;-8,-2.31,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-2.67,-5.39,;-2.67,-6.93,;-1.33,-7.7,;,-6.93,;1.33,-7.7,;2.67,-6.93,;4.21,-6.93,;3.44,-5.6,;,-5.39,;-1.33,-4.62,;-6.67,,;-6.67,1.54,;-5.33,2.31,;2.67,3.85,;1.33,3.08,;5.33,-.77,;6.67,-1.54,;6.67,-3.08,)|
BDBM105296 OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(CC4)C4COC4)nc3c2)c1=O |r|
BDBM105297 OC[C@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCOCC4)nc3c2)c1=O |r,wU:2.10,29.29,wD:32.36,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;6,-.77,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
BDBM105298 OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CC5)CC4)nc3c2)c1=O |r,wU:2.9,28.28,wD:31.35,(2,1.54,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;8.67,.77,;7.34,1.54,;4.67,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;2,6.16,;2,7.7,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,4.62,;-4.67,3.85,;-6,4.62,;-7.34,3.85,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-5.39,;-6,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;2,-7.7,;3.33,-6.93,;4.87,-6.93,;4.1,-5.6,;.67,-5.39,;-.67,-4.62,;-6,,;-6,1.54,;-4.67,2.31,;3.33,3.85,;2,3.08,)|
BDBM105299 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc(CC5CCNCC5)nc4c3)c2=O)cc1F
BDBM105300 CN1CCC(Cc2cnc3ccc(cc3n2)C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)CC1
BDBM105301 [#6]\[#6](-[#6])=[#6]\c1cnc2ccc(cc2n1)C#C[#6]-[#7]-[#6](=O)-c1cncn(-[#6]-c2ccc(F)c(F)c2)c1=O
BDBM105303 CN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105304 CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105305 CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105306 COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM105307 COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM105308 CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM105309 CCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r|
BDBM105310 COCCN1CCC(CC1)Nc1cnc2ccc(cc2c1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
BDBM105274 CN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cccn([C@@H](CO)c2ccc(F)c(F)c2)c1=O |r|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM138348 NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
BDBM110206 COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
BDBM112784 Oc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O
BDBM112785 Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O
BDBM112786 Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1c(O)cc(C)c(Cl)c1C
BDBM112790 Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)-c1ccccc1
BDBM116761 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116762 CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2nncc3c(cccc23)C(N)=O)c1
BDBM116767 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(NCCO)c4)c3)ncnc12
BDBM116770 COCCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1
BDBM116772 CN(C[C@@H](Nc1ncnc2=C(CCC=c12)C(N)=O)c1ccccc1)C1CC1 |r,t:9,13|
BDBM116803 COc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116808 NC(=O)c1cccc2c(NCc3cc(F)c(F)c(F)c3)ncnc12
BDBM116993 NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccsc1 |r|
BDBM116994 NC(=O)C1=c2ncnc(N[C@H]3CCCNC3)c2=CC(C1)c1cccs1 |r,c:3,18|
BDBM116995 COc1ccc(cc1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM116996 Cn1cc(cn1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM116997 COc1ccc2cc(ccc2c1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM116998 NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccc(OC(F)(F)F)cc1 |r|
BDBM116999 NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccc(cc1)C(F)(F)F |r|
BDBM117000 CC(C)n1cc(cn1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM117001 NC(=O)C1CC=C(C=C1)c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r,c:5,7|
BDBM117002 N#Cc1ccc(cc1)-c1ccc2ncnc(NC3CCCNC3)c2c1
BDBM117003 NC(=O)c1cccc(c1)-c1cc(C(N)=O)c2ncnc(N[C@H]3CCCNC3)c2c1 |r|
BDBM117004 NC(=O)c1cc(cc2c(N[C@H]3CCCNC3)ncnc12)-c1ccccc1 |r|
BDBM117005 NC(=O)c1cc(cc2c(NC3CCCNC3)ncnc12)-c1ccc(Cl)c(Cl)c1
BDBM117006 NC(=O)c1cc(cc2c(NC3CCCNC3)ncnc12)-c1cnoc1
BDBM117007 CC(Nc1ncnc2c(cc(cc12)-c1cnn(C)c1)C(N)=O)c1cccc(F)c1
BDBM117008 NC(=O)c1cc(\C=C\c2ccccc2)cc2c(N[C@H]3CCCNC3)ncnc12 |r|
BDBM117009 Cn1cc(cn1)-c1cc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c2c1
BDBM117010 CCC(Nc1ncnc2c(cc(cc12)-c1cnn(C)c1)C(N)=O)c1cccc(F)c1
BDBM117021 CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117022 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C(C)(C)c3ccccc3)c2c1
BDBM117023 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3)c2c1
BDBM117024 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1
BDBM117025 COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |r|
BDBM117026 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1
BDBM117027 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccc(Cl)cc3)c2c1
BDBM117028 CN(c1cccc(Cl)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117029 CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F
BDBM117030 CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
BDBM117031 CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117032 CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117033 CCN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117034 CCN(Cc1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117035 CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
BDBM117036 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
BDBM117037 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1
BDBM117038 CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1
BDBM117039 CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1
BDBM117040 CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117041 COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117042 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1
BDBM117043 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1
BDBM117044 COC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117045 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1
BDBM117046 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1
BDBM117047 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1
BDBM117048 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCN3CCOCC3)c3cccc(F)c3)c2c1
BDBM117049 COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
BDBM117050 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1
BDBM117051 CN(c1cccc(F)c1)c1cc(ncn1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM117052 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1
BDBM117056 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1
BDBM117063 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3F)c2c1
BDBM117064 CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM116395 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4)c3)ncnc12
BDBM116422 NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3ccc(cc3)C(F)(F)F)ncnc12
BDBM116731 NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
BDBM116734 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(c4)N4CCCCC4)c3)ncnc12
BDBM116735 CC(Nc1ncnc2c(cccc12)C(N)=O)c1cc(F)cc(F)c1
BDBM116751 CS(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3c(cccc23)C(N)=O)c1
BDBM116752 CCN(C[C@@H](Nc1ccccc(cncn1)C(N)=O)C1CC=CC=C1)C(C)C |r,c:22,24|
BDBM116754 NC(=O)c1cccc2c(NC(Cn3ccnc3)c3ccccc3)ncnc12
BDBM116566 NC(=O)c1cccc2c(NCCc3c[nH]c4ccccc34)ncnc12
BDBM116663 CCC(Nc1ncnc2c(cccc12)C(N)=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM116342 NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4Cl)c3)ncnc12
BDBM116353 COc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(cccc34)C(N)=O)c2)c1
BDBM123416 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCBr)cc1)C(F)(F)F
BDBM123417 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCCBr)cc1)C(F)(F)F
BDBM123418 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCN=[N+]=[N-])cc1)C(F)(F)F
BDBM123419 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCCN=[N+]=[N-])cc1)C(F)(F)F
BDBM123420 CCCCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM123421 CC(C)(C)c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM123422 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2ccccc2c1)C(F)(F)F
BDBM123423 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccccc1)C(F)(F)F
BDBM123424 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(Cl)cc1)C(F)(F)F
BDBM123425 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(F)(F)F
BDBM123426 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cccc(Cl)c1Cl)C(F)(F)F
BDBM123427 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cc(Cl)c(Cl)cc1Cl)C(F)(F)F
BDBM123428 Cc1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM123429 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
BDBM123430 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(CBr)cc1)C(F)(F)F
BDBM123431 Cc1cc(C)cc(c1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM123432 CCCCc1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM123433 CC(C)(C)c1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
BDBM123434 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cc2ccccc2)cc1)C(F)(F)F
BDBM123435 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc-2c(Cc3ccccc-23)c1)C(F)(F)F
BDBM123436 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1c2ccccc2cc2ccccc12)C(F)(F)F |(10.71,-4.57,;9.62,-3.48,;11.1,-3.08,;9.22,-4.97,;8.53,-2.39,;8.93,-.91,;7.84,.18,;6.35,-.22,;5.95,-1.7,;7.04,-2.79,;5.45,1.03,;3.91,1.03,;3.43,2.49,;4.68,3.4,;5.92,2.49,;7.39,2.97,;7.78,4.46,;6.69,5.55,;7.09,7.03,;8.58,7.43,;9.67,6.34,;9.27,4.86,;10.36,3.77,;9.96,2.28,;11.05,1.19,;10.65,-.3,;9.16,-.69,;8.08,.39,;8.47,1.88,;1.96,2.97,;.82,1.94,;1.64,4.48,;.5,3.45,)|
BDBM123437 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM123438 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cc2ccccc2c2ccccc12)C(F)(F)F
BDBM123439 NC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM123440 FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(cc1)C#N
BDBM123441 ONC(=N)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM123442 FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(cc1)-c1nnn[nH]1
BDBM123443 FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(CN=O)cc1
BDBM123444 FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(CN=N)cc1
BDBM123445 FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(CC#N)cc1
BDBM123446 N[N+](=O)CCc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM123447 FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc34)c2)n(n1)-c1ccc(Cc2nnn[nH]2)cc1
BDBM123448 NC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM105376 CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O |r|
BDBM139789 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139850 CCOc1cc(C(=O)NCC#Cc2ccc3ncc4ncn(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
BDBM139855 CCOc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139858 CN(C)Cc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM45984 COc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139856 COCCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139859 Cn1c(CCO)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM47049 CN(C)CCN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM47051 CN(C)CCCOc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM47057 Oc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139800 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2ccccc2)c1=O |r|
BDBM139801 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CN)c2ccccc2)c1=O |r|
BDBM139802 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2C[C@@H]3CC[C@H]2C3)c1=O |r,THB:28:29:32.33:35|
BDBM139803 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCOCC2)c1=O
BDBM139804 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCCO2)c1=O
BDBM139830 CN1CC[C@@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139831 CN1CCC[C@@H](C1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139832 CN1CCC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139833 CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
BDBM139861 Cn1c(nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O)-c1ccccc1
BDBM139862 CCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139863 COc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM43242 CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c(C)c12
BDBM43243 CN(C)CCCNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2n1
BDBM139765 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5nc[nH]c5c4c3)c2=O)cc1F
BDBM139766 OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139805 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCC2)c1=O
BDBM139806 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2(O)CCCCC2)c1=O
BDBM139807 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(C[C@H]2CCCC[C@H]2O)c1=O |r|
BDBM139808 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCOC2)c1=O
BDBM139809 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CN)c2ccc(F)c(F)c2)c1=O |r|
BDBM139834 CCN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
BDBM139835 Cc1nc2cnc3ccc(cc3c2n1C1CCOCC1)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
BDBM139836 OC[C@@H](c1cccc(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O |r|
BDBM139837 C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O |r,wU:32.32,wD:35.39,1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-3.64,-1.11,;-2.15,-.71,;-1.06,-1.8,;-1.46,-3.29,;-2.95,-3.69,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
BDBM139767 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCC6)c5c4c3)c2=O)cc1F
BDBM139768 OCCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139769 CN(C)CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139770 CN1CC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139771 CN1CC[C@@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139838 CN(C)[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:34.37,3.2,(2.18,-2.49,;1.09,-1.4,;1.49,.09,;-.39,-1.8,;-1.48,-.71,;-2.97,-1.11,;-3.37,-2.6,;-2.28,-3.69,;-.79,-3.29,;-4.86,-2.99,;-5.48,-4.4,;-4.71,-5.74,;-7.02,-4.24,;-7.34,-2.73,;-8.67,-1.96,;-8.67,-.42,;-7.34,.35,;-7.34,1.89,;-6,2.66,;-4.67,1.89,;-4.67,.35,;-6,-.42,;-6,-1.96,;-3.33,2.66,;-2,3.43,;-.67,4.2,;.67,3.43,;2,4.2,;2,5.74,;3.33,3.43,;4.67,4.2,;6,3.43,;6,1.89,;4.67,1.12,;4.67,-.42,;3.33,-1.19,;3.33,-2.73,;6,-1.19,;7.34,-.42,;8.67,-1.19,;8.67,-2.73,;7.34,-3.5,;7.34,-5.04,;6,-2.73,;3.33,1.89,;2,1.12,)|
BDBM139839 CN(C)[C@H]1CC[C@H](CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,3.2,wD:34.37,(2.18,-2.49,;1.09,-1.4,;1.49,.09,;-.39,-1.8,;-.79,-3.29,;-2.28,-3.69,;-3.37,-2.6,;-2.97,-1.11,;-1.48,-.71,;-4.86,-2.99,;-5.48,-4.4,;-4.71,-5.74,;-7.02,-4.24,;-7.34,-2.73,;-8.67,-1.96,;-8.67,-.42,;-7.34,.35,;-7.34,1.89,;-6,2.66,;-4.67,1.89,;-4.67,.35,;-6,-.42,;-6,-1.96,;-3.33,2.66,;-2,3.43,;-.67,4.2,;.67,3.43,;2,4.2,;2,5.74,;3.33,3.43,;4.67,4.2,;6,3.43,;6,1.89,;4.67,1.12,;4.67,-.42,;3.33,-1.19,;3.33,-2.73,;6,-1.19,;7.34,-.42,;8.67,-1.19,;8.67,-2.73,;7.34,-3.5,;7.34,-5.04,;6,-2.73,;3.33,1.89,;2,1.12,)|
BDBM139840 CN(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,wD:33.36,3.2,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-1.48,-1.06,;-2.97,-1.45,;-3.37,-2.94,;-2.28,-4.03,;-.79,-3.63,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;7.34,-5.39,;6,-3.08,;3.33,1.54,;2,.77,)|
BDBM139841 CN(C)[C@H]1CC[C@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O |r,wU:6.9,3.2,wD:33.36,(2.18,-2.84,;1.09,-1.75,;1.49,-.26,;-.39,-2.14,;-.79,-3.63,;-2.28,-4.03,;-3.37,-2.94,;-2.97,-1.45,;-1.48,-1.06,;-4.86,-3.34,;-5.48,-4.75,;-7.02,-4.59,;-7.34,-3.08,;-8.67,-2.31,;-8.67,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,-.77,;-6,-2.31,;-3.33,2.31,;-2,3.08,;-.67,3.85,;.67,3.08,;2,3.85,;2,5.39,;3.33,3.08,;4.67,3.85,;6,3.08,;6,1.54,;4.67,.77,;4.67,-.77,;3.33,-1.54,;3.33,-3.08,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;7.34,-3.85,;7.34,-5.39,;6,-3.08,;3.33,1.54,;2,.77,)|
BDBM139772 CN(C)CCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139773 CN1CCC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139774 CN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139775 CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139776 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn([C@H]6CCCNC6)c5c4c3)c2=O)cc1F |r|
BDBM139810 CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM139811 CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM139777 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCNC6)c5c4c3)c2=O)cc1F
BDBM139778 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn(C6CCNCC6)c5c4c3)c2=O)cc1F
BDBM139779 Fc1ccc(Cn2cncc(C(=O)NCC#Cc3ccc4ncc5ncn([C@H]6CCNC6)c5c4c3)c2=O)cc1F |r|
BDBM139780 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM139781 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
BDBM139782 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM139783 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM139784 CCOc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
BDBM139785 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2cccc(F)c2)c1=O |r|
BDBM139786 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM139812 CCN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM139813 CN1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM139814 CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM139815 OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCNC5)c4c3c2)c1=O |r|
BDBM139816 CC(C)N1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM139842 Cc1nc2cnc3ccc(cc3c2n1C1CCCOC1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139843 NC[C@@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCOC5)c4c3c2)c1=O |r|
BDBM139844 Cn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139845 CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139846 CC(C)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139787 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](C)C2CCCCC2)c1=O |r|
BDBM139788 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@H](CO)c2ccc(F)c(F)c2)c1=O |r|
BDBM139790 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM139791 CCc1c(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C
BDBM139817 CN(C)[C@H]1CC[C@H](CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(C)nn(Cc2ccc(F)c(F)c2)c1=O |r,wU:6.9,3.2,(1.52,-3.16,;.43,-2.07,;.82,-.58,;-1.06,-2.47,;-1.46,-3.95,;-2.95,-4.35,;-4.04,-3.26,;-3.64,-1.78,;-2.15,-1.38,;-5.52,-3.66,;-6.15,-5.07,;-7.68,-4.91,;-8,-3.4,;-9.34,-2.63,;-9.34,-1.09,;-8,-.32,;-8,1.22,;-6.67,1.99,;-5.33,1.22,;-5.33,-.32,;-6.67,-1.09,;-6.67,-2.63,;-4,1.99,;-2.67,2.76,;-1.33,3.53,;,2.76,;1.33,3.53,;1.33,5.07,;2.67,2.76,;4,3.53,;5.33,2.76,;6.67,3.53,;5.33,1.22,;4,.45,;4,-1.09,;5.33,-1.86,;5.33,-3.4,;6.67,-4.17,;8,-3.4,;9.34,-4.17,;8,-1.86,;9.34,-1.09,;6.67,-1.09,;2.67,1.22,;1.33,.45,)|
BDBM139818 CC(C)N1CCC(CC1)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
BDBM139819 C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O |r,wU:32.32,35.39,wD:1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-2.95,-3.69,;-1.46,-3.29,;-1.06,-1.8,;-2.15,-.71,;-3.64,-1.11,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)|
BDBM139820 C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)c1=O |r|
BDBM139847 CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139848 Cc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM47048 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
BDBM139793 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)C2CCCCC2)c1=O |r|
BDBM139794 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(C(C)c2ccc(F)c(F)c2)c1=O
BDBM139795 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
BDBM139821 Cc1nc2cnc3ccc(cc3c2n1CCc1ccccc1)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM139822 OC[C@H](c1ccccc1)n1cccc(C(=O)NCC#Cc2ccc3ncc4ncn(C5CCNCC5)c4c3c2)c1=O |r|
BDBM139823 Fc1ccc(Cn2cccc(C(=O)NCC#Cc3ccc4ncc5nc[nH]c5c4c3)c2=O)cc1F
BDBM139824 CN(C)CCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
BDBM139825 OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
BDBM139866 COCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139796 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn([C@@H](C)c2ccc(F)c(F)c2)c1=O |r|
BDBM139797 CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(CC2CCCCC2)c1=O
BDBM139798 COc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1
BDBM139826 OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
BDBM139827 CN(C)CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139828 CN1CCC(CC1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O
BDBM139829 CN1CC[C@H](C1)n1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O |r|
BDBM139868 CN(C)CCCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139869 CN(C)CCc1nc2cnc3ccc(cc3c2n1C)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM50009126 OC(=O)c1cc2cc(F)ccc2[nH]1
BDBM50091818 Nc1cc2ccccc2cn1
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50126732 CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
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
BDBM50147458 COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50169959 N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50192071 C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50208879 Nc1nc(N)c2[nH]cnc2n1
BDBM50218894 Brc1cccc2C(C(=O)Nc12)c1[nH]c2ccccc2c1N=O
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50252521 [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
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
BDBM50296951 OC(=O)\C=C(\CCc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM50296952 OC(=O)\C=C(\CCc1ccc(Cl)c(Cl)c1)c1ccccc1
BDBM50296953 OC(=O)\C=C(\CCc1ccc(Cl)cc1Cl)c1ccccc1
BDBM50296954 OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1
BDBM50296955 OC(=O)\C=C(\CCc1ccc2ccccc2c1)c1ccccc1
BDBM50296956 OC(=O)\C=C(\CCc1c[nH]c2ccccc12)c1ccccc1
BDBM50305006 NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
BDBM50296949 OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1
BDBM50296950 OC(=O)\C=C(\CCc1ccc(Br)cc1)c1ccccc1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50316342 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OCCN)c1
BDBM50316343 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](C)N)c1 |r|
BDBM50316344 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](C)N)c1 |r|
BDBM50316345 CC[C@H](N)COc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1 |r|
BDBM50316346 CC[C@@H](N)COc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1 |r|
BDBM50316347 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)CC(C)C)c1 |r|
BDBM50316348 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)CC(C)C)c1 |r|
BDBM50316349 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM50316350 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
BDBM50316351 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1 |r|
BDBM50316352 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccc(F)cc2)c1 |r|
BDBM50316353 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
BDBM50316354 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
BDBM50316355 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
BDBM50316356 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2c[nH]c3ccccc23)c1 |r|
BDBM50316357 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccccc2Cl)c1 |r|
BDBM50316358 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2cccc(Cl)c2)c1 |r|
BDBM50316359 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(Cl)c2)c1 |r|
BDBM50316360 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccncc2)c1 |r|
BDBM50321383 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:4.4,2.2,101.103,86.89,28.37,8.17,47.56,69.76,wD:96.99,39.45,58.68,77.85,20.25,109.111,(30.61,-7.98,;29.28,-8.75,;27.95,-7.98,;27.95,-6.44,;26.61,-8.75,;25.28,-7.98,;25.28,-5.98,;26.61,-5.21,;23.94,-5.21,;23.94,-3.67,;25.28,-2.9,;26.61,-3.67,;27.94,-2.9,;27.94,-1.37,;29.28,-.6,;26.61,-.6,;25.28,-1.37,;22.61,-5.99,;21.28,-5.22,;21.28,-3.68,;19.95,-5.99,;19.95,-7.53,;21.28,-8.3,;22.62,-7.53,;21.28,-9.84,;18.61,-5.22,;17.28,-5.98,;17.28,-7.52,;15.94,-5.21,;15.94,-3.67,;17.28,-2.9,;18.61,-3.67,;19.94,-2.9,;19.94,-1.37,;18.61,-.6,;17.28,-1.37,;14.61,-5.99,;13.28,-5.22,;13.28,-3.68,;11.95,-5.99,;11.95,-7.53,;13.28,-8.3,;14.62,-7.54,;13.28,-9.84,;10.61,-5.22,;9.27,-5.98,;9.27,-7.52,;7.94,-5.21,;7.94,-3.67,;9.27,-2.9,;9.27,-1.36,;10.61,-.6,;10.6,.94,;9.28,1.71,;11.95,1.71,;6.61,-5.99,;5.28,-5.22,;5.28,-3.68,;3.94,-5.99,;3.94,-7.53,;5.28,-8.3,;6.61,-7.53,;7.94,-8.3,;7.93,-9.84,;6.6,-10.61,;5.27,-9.84,;2.61,-5.22,;1.27,-5.98,;1.27,-7.52,;-.06,-5.21,;-.06,-3.67,;1.27,-2.9,;1.27,-1.36,;2.61,-.59,;-1.4,-5.98,;-2.73,-5.21,;-2.73,-3.67,;-4.06,-5.98,;-4.06,-7.52,;-2.73,-8.29,;-2.73,-9.83,;-4.06,-10.61,;-1.4,-10.6,;-5.4,-5.21,;-6.73,-5.97,;-6.73,-7.51,;-8.07,-5.2,;-9.4,-5.98,;-8.07,-3.66,;-6.73,-2.89,;-6.73,-1.35,;-8.06,-.59,;-5.4,-.58,;26.61,-10.29,;25.28,-11.06,;27.94,-11.07,;27.93,-12.61,;26.6,-13.38,;29.27,-13.38,;30.6,-12.61,;29.27,-14.92,;30.6,-15.69,;31.94,-14.92,;33.27,-15.69,;33.28,-17.24,;34.6,-14.92,;30.6,-17.23,;29.27,-18,;31.93,-18,;31.93,-19.54,;30.6,-20.31,;30.6,-21.85,;31.84,-22.76,;31.37,-24.22,;29.83,-24.22,;28.8,-25.36,;27.29,-25.03,;26.81,-23.58,;27.84,-22.43,;29.35,-22.76,;33.26,-20.31,;33.26,-21.86,;34.6,-19.54,)|
BDBM50321578 NC(=O)Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50321579 NC(=O)c1nn(CC2CCNCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21
BDBM50321580 NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
BDBM50321582 CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1
BDBM50321375 OC(=O)CN1c2ccccc2CCC(Nc2ccccc2)C1=O
BDBM50321376 OC(=O)CN1c2ccccc2CCC(Sc2ccccc2)C1=O
BDBM50321377 OC(=O)CN1c2ccccc2CCC(Sc2ccc(Cl)cc2)C1=O
BDBM50321378 COc1ccc(SC2CCc3ccccc3N(CC(O)=O)C2=O)cc1
BDBM50321379 OC(=O)CN1c2ccccc2CCC(Sc2ccc(cc2)C(O)=O)C1=O
BDBM50321380 OC(=O)CN1c2ccccc2CCC(Sc2ccc(Cl)cc2Cl)C1=O
BDBM50321381 OC(=O)CN1c2ccccc2CCC(Sc2c(Cl)cccc2Cl)C1=O
BDBM50321382 OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1
BDBM41966 OCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50314051 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
BDBM50339006 Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
BDBM50339007 OCc1cc(=O)[nH][nH]1
BDBM50339008 NC(=O)c1[nH]ncc1N
BDBM50339009 C1CCn2cnnc2C1
BDBM50339010 CNc1ncnc2n[nH]cc12
BDBM50339011 c1csc(n1)-c1ccccc1
BDBM50339012 Clc1cc(=O)[nH]c2ccsc12
BDBM50339013 Nc1[nH]nc2ccccc12
BDBM50339014 NC(=O)c1nnc(N)nc1N
BDBM50339015 Nc1nnc2ccccc2n1
BDBM50339016 O=C1NCCc2ccccc12
BDBM50339017 NC(=O)c1cccc2cc[nH]c12
BDBM50339018 Nc1nc2c(O)cccc2s1
BDBM50339019 Nc1cc(n[nH]1)-c1ccco1
BDBM50339020 c1cc(n[nH]1)-c1ccncc1
BDBM50339021 COc1ncnc2nc[nH]c12
BDBM50339023 Nc1n[nH]c2cc(ccc12)-c1ccncn1
BDBM50339024 Nc1n[nH]c2cc(ccc12)-c1ccnc(N)c1
BDBM50339025 Nc1n[nH]c2cc(ccc12)-c1cccc(N)n1
BDBM50339026 Nc1n[nH]c2cc(ccc12)-c1cccc(N)c1
BDBM50339027 Nc1n[nH]c2cc(ccc12)-c1ccccn1
BDBM50339028 Nc1n[nH]c2cc(ccc12)-c1ccncc1
BDBM50331577 Oc1cccc(c1)-c1cc(Nc2ccc3[nH]ncc3c2)nc(n1)N1CCOCC1
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50341239 C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)C(=O)Nc1ccccc1 |r|
BDBM50341240 C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50341241 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)Nc1ccccc1 |r|
BDBM50341242 C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
BDBM50341243 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
BDBM50341244 C[C@@H]1CO[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50341245 CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50341246 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](OC[C@H]1C)C(=O)NC1CCCCC1 |r|
BDBM50341247 CC[C@@H]1CO[C@@H](CN1c1cc(nc(NC)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)NC1CCCCC1 |r|
BDBM50341248 C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
BDBM50341249 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C |r|
BDBM50341250 C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C |r|
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50340952 CN(C)C(=O)N1CCC(CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12
BDBM50340954 CC(=O)NC[C@H]1CC[C@@H](CC1)c1nc(-c2cc3ccccc3[nH]2)c2c(N)nccn12 |r,wU:8.11,wD:5.4,(30.4,-52.78,;31.44,-51.63,;32.94,-51.96,;30.97,-50.17,;32,-49.03,;31.53,-47.56,;32.56,-46.41,;32.09,-44.94,;30.58,-44.63,;29.54,-45.77,;30.01,-47.24,;30.1,-43.16,;31.01,-41.9,;30.1,-40.65,;30.58,-39.19,;29.67,-37.94,;30.58,-36.7,;30.27,-35.2,;31.41,-34.17,;32.87,-34.65,;33.19,-36.15,;32.04,-37.18,;32.04,-38.72,;28.62,-41.13,;27.29,-40.37,;27.29,-38.83,;25.96,-41.14,;25.96,-42.68,;27.29,-43.45,;28.63,-42.68,)|
BDBM50360580 CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3|
BDBM50360581 CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)nc1nc[nH]c21 |t:3|
BDBM50360582 Oc1ccc(cc1)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
BDBM50360583 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)CN)c2)nc2nc[nH]c12
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50364742 CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(cc3)C(=O)OCC)n2)cc1
BDBM50361641 CC(C)n1cc(C(=O)c2cncc(n2)N(C)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c2c(N)ncnc12 |r|
BDBM50361642 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361643 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r|
BDBM50361644 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r|
BDBM50361645 Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F |r|
BDBM50361646 CNc1cncc(n1)C(=O)c1cn(C(C)C)c2ncnc(N)c12
BDBM50361647 CC(C)n1cc(C(=O)c2cncc(NCCc3cccnc3)n2)c2c(N)ncnc12
BDBM50361648 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361649 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361650 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361651 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361652 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
BDBM50361653 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12 |r|
BDBM50371404 Nc1nccc(n1)-c1c[nH]c2ncccc12
BDBM50372471 N#CCc1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)C#Cc1cccnc1
BDBM50372472 Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)C#Cc1cccnc1
BDBM50372473 CC(C#N)c1ccc(cc1)-n1c(C)nc2cnc3ccc(cc3c12)C#Cc1cccnc1 |w:1.0|
BDBM50372474 CC(C#N)c1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)C#Cc1cccnc1 |w:1.0|
BDBM50372475 Cc1nc2cnc3ccc(cc3c2n1-c1ccc(CC#N)cc1)C#Cc1cccnc1
BDBM50372476 CCc1nc2cnc3ccc(cc3c2n1-c1ccc(CC#N)cc1)C#Cc1cccnc1
BDBM50382799 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
BDBM50382800 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)C3CCNCC3)c2)nc2nc[nH]c12
BDBM50382801 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
BDBM50382802 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)NCCN3CCOCC3)c2)nc2nc[nH]c12
BDBM50382803 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)NC3CCNC3)c2)nc2nc[nH]c12
BDBM50382804 COc1cc(ccc1N)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382805 Fc1ccc(cn1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382806 O=C(Nc1cccc(Nc2nc(-c3ccc4OCOc4c3)c3[nH]cnc3n2)c1)N1CCCC1
BDBM50382807 COc1ccc(cc1OC)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382808 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2nc[nH]c12
BDBM50382809 CN1CCN(Cc2cccc(c2)-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)CC1
BDBM50382810 COc1ccc(cc1OC)-c1nc(Nc2cccc(Cl)c2)nc2nc[nH]c12
BDBM50382811 COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(=O)NC2CCNC2)nc2nc[nH]c12
BDBM50382812 COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)C(=O)NC2CCNCC2)nc2nc[nH]c12
BDBM50382813 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCCC3)c2)nc2nc[nH]c12
BDBM50382814 O=C(Nc1cccc(Nc2nc(-c3ccncc3)c3[nH]cnc3n2)c1)N1CCCC1
BDBM50376854 NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1c[nH]c2ccccc12)C(F)(F)F
BDBM50384061 Cc1sc2nc[nH]c(=O)c2c1C
BDBM50384062 CC(C)(C)c1cc2nc[nH]c(=O)c2s1
BDBM50384063 Cc1n[nH]c(=O)c2nc[nH]c12
BDBM50384064 COc1ccc(Nc2ncnc3n[nH]cc23)cc1
BDBM50384065 CC1NNc2oc(=O)cc(C)c12
BDBM50384066 CC(=O)Nc1nc2ccc(F)cc2s1
BDBM50384067 O=c1[nH]ccn2nc3CCCCc3c12
BDBM50384069 Cc1csc2c1nc[nH]c2=O
BDBM50384998 [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
BDBM50384070 CNc1csc2c1nc[nH]c2=O
BDBM50384071 CN(C)c1csc2c1nc[nH]c2=O
BDBM50384072 O=C(Nc1csc2c1nc[nH]c2=O)c1ccccc1
BDBM50384073 O=c1[nH]cnc2c(csc12)-c1ccccc1
BDBM50384074 COc1ccc(cc1OC)-c1c(sc2c1nc[nH]c2=O)-c1ccc(F)cc1
BDBM50384075 Fc1ccc(cc1)-c1sc2c(nc[nH]c2=O)c1\C=C\c1ccccc1
BDBM50384076 Fc1ccc(cc1)-c1sc2c(nc[nH]c2=O)c1-c1cn[nH]c1
BDBM50384077 O=c1[nH]cnc2ccsc12
BDBM50384078 Fc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
BDBM50384079 Cc1c(sc2c1nc[nH]c2=O)-c1ccc(F)cc1
BDBM50384060 Fc1ccc(cc1)-c1sc2c(nc[nH]c2=O)c1-c1ccccc1
BDBM50387244 OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12
BDBM50393329 CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1C
BDBM50393342 CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
BDBM50385999 Oc1ccc(cc1)-c1n[nH]c2cc(O)ccc12
BDBM50399645 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(O)=O |r|
BDBM50399646 OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O
BDBM50399647 OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccccc1)C(O)=O
BDBM50399648 OC(=O)C(C(CC(=O)c1ccc2c(c1)[nH]c1ccccc21)c1ccccc1)C(O)=O
BDBM50399649 OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccc2ccccc2c1)C(O)=O
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50401906 Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1
BDBM50401907 Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)c1
BDBM50401908 Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)n2)c1
BDBM50401909 Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccs3)n2)c1
BDBM50401910 Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
BDBM50402020 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
BDBM50418230 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCC1 |r|
BDBM50418231 CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418232 Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1
BDBM50418233 Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1
BDBM50418235 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC1
BDBM50418236 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCCC1
BDBM50418237 C[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1 |r|
BDBM50418238 C[C@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418239 CC[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418240 CC(C)[C@@H]1COCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418241 Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418242 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCO[C@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418243 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418244 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@H](C1)C(=O)Nc1ccccc1 |r|
BDBM50418245 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r|
BDBM50418246 C[C@@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)C(=O)Nc1ccccc1 |r|
BDBM50418247 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCCC(C1)NC(=O)c1ccccc1
BDBM50418248 CC(C)(C)OC(=O)NC1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418249 CC(C)(C)OC(=O)N[C@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418250 CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418251 C[C@H]1CC[C@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)NC(=O)OC(C)(C)C |r|
BDBM50418253 Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1
BDBM50418256 Nc1[nH]nc2cc(ccc12)-c1cc(nc(N)n1)N1CCOCC1
BDBM50418257 C[C@@H]1CCCCN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 |r|
BDBM50418258 C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)NC(=O)OC(C)(C)C |r|
BDBM50430628 OP(O)(=O)O[C@H]1[C@@H](OCc2ccccc2)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O |r|
BDBM50430629 [#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM50430630 NCC(=O)Nc1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
BDBM50418263 CCNc1nccc(n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418264 COc1nccc(n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418234 CN(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418252 CC(C)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418254 COc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418255 CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418259 Cc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418260 CCNc1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1
BDBM50418261 CNc1nccc(n1)-c1ccc2c(N)n[nH]c2c1
BDBM50418262 CN(C)c1nccc(n1)-c1ccc2c(N)n[nH]c2c1
BDBM50433916 O=C1c2ccccc2-c2[nH]nc3cccc1c23
BDBM47050 CCOc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM139857 Cn1c(CF)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM47053 Nc1ncnc2cc(Cl)c(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM50049555 COc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
BDBM50048357 Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048362 Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048364 OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
BDBM50048365 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048374 CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50078207 CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O
BDBM50078259 CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
BDBM50049556 COc1ccc(cc1)-c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)nc2[nH]ccc12
BDBM158154 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM47059 CNC(=O)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM47060 CN(C)C(=O)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
BDBM50078209 CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50125790 OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r|
BDBM50125791 Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)c(C)c1
BDBM50125794 OP(O)(=O)[C@H](NCCc1ccc(F)cc1)c1ccc(F)cc1 |r|
BDBM50125795 C[C@@H](CN[C@H](c1ccccc1)P(O)(O)=O)c1ccccc1 |r|
BDBM50125797 C[C@@H](CN[C@H](c1ccc(F)c(F)c1)P(O)(O)=O)c1ccccc1 |r|
BDBM50125798 Cc1cccc(OCCn2c(SCC(O)=O)nc3ccccc23)c1
BDBM50125804 OC(=O)Cn1c(SCc2cccc3ccccc23)nc2ccccc12
BDBM50125807 Cc1ccccc1OCCSc1nc2ccccc2n1CCC(O)=O
BDBM50125810 Cc1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1C
BDBM50125812 Cc1ccccc1OCCSc1nc2ccccc2n1CC(O)=O
BDBM50125813 OC(=O)Cn1c(SCCOc2ccccc2F)nc2ccccc12
BDBM50125816 Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(O)=O
BDBM50125817 OC(=O)C\C(=C\c1cccc(c1)C(F)(F)F)c1nc2ccccc2o1
BDBM199118 Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
BDBM202484 CCC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM202494 CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C(C)(O)c3ccccc3)c2c1
BDBM50125792 C[C@H](CN[C@H](c1ccc(F)cc1)P(O)(O)=O)c1ccccc1 |r|
BDBM50125815 COc1ccccc1OCCSc1nc2ccccc2n1CC(O)=O
BDBM50125800 OC(=O)CSc1nc2ccccc2n1CCOc1ccccc1
BDBM50178262 CCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
BDBM50178279 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(Br)cc12
BDBM50178285 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
BDBM50178286 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccn[nH]1
BDBM50178287 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM50178288 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C
BDBM50157880 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50157881 Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50184998 OP(O)(=O)OC[C@H]1[C@@H](OCc2ccccc2)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r|
BDBM50184999 Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5ncc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
BDBM50185001 Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM50158429 Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50178289 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1c(C)nn(C)c1C
BDBM50178290 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
BDBM50178291 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
BDBM50178292 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
BDBM50178293 CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50178284 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccco1
BDBM50178295 CSc1nn(C(N)=O)c(N)c1C(N)=O
BDBM50178296 COc1ccc2[nH]c(nc2c1)-c1cc[nH]n1
BDBM50185002 Fc1ccc(Cn2cccc(C(=O)NCC(=O)Nc3ccc4NC(=O)Cc4c3)c2=O)cc1F
BDBM50185003 Fc1ccc(Cn2cccc(C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c2=O)cc1F
BDBM50178297 Nc1nc2c3ccccc3nc(-c3ccccc3)n2n1
BDBM50178298 Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
BDBM50178302 Nc1ncc(Br)c(n1)-c1c[nH]c2ncccc12
BDBM50178263 CCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
BDBM50178264 CCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
BDBM50178277 NCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
BDBM50178278 NCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
BDBM50178280 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccccc1
BDBM50178281 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cccnc1
BDBM50178282 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccncc1
BDBM50178299 CNc1nccc(n1)-c1cn(CCOC)c2ncccc12
BDBM50185000 Fc1ccc(Cn2cccc(C(=O)N[C@@H](C(=O)Nc3ccc4NC(=O)\C(=C/c5cnc[nH]5)c4c3)c3ccccc3)c2=O)cc1F |r|
BDBM50178283 CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
BDBM50178294 CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
BDBM50178300 CCc1cc(nc(N)n1)-c1c(C)[nH]c2ncccc12
BDBM50178301 CCc1cc(nc(N)n1)-c1c[nH]c2nccc(Cl)c12
BDBM50178303 CCc1cc(ncn1)-c1c[nH]c2ncccc12
BDBM50178304 Cc1nccc(n1)-c1c[nH]c2ncccc12
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13