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361 SMILES Strings for AXL receptor tyrosine kinase

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|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM153642 COc1cc2nccc(Oc3ccc(NC(=O)c4ccncc4)cc3)c2cc1OC
BDBM153648 COc1cc2nccc(Oc3ccc(N)cc3Cl)c2cc1OC
BDBM153649 COc1cc2nccc(Oc3ccc(N)nc3)c2cc1OC
BDBM153643 COc1cc2nccc(Oc3ccc(NC(=O)c4cccs4)cc3)c2cc1OC
BDBM153650 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1N
BDBM153653 COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCC1CCN(CC1)C(=O)OC(C)(C)C
BDBM153651 COc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1OC
BDBM153652 COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCCCN1CCOCC1
BDBM153644 COc1cc2nccc(Oc3ccc(NC(=O)c4ccccn4)cc3)c2cc1OC
BDBM153645 COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OC
BDBM153646 COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC
BDBM153647 COc1cc2nccc(Oc3ccc(N)cc3C)c2cc1OC
BDBM153639 COc1cc2nccc(Oc3ccc(NC(=O)c4cc(on4)-c4ccccc4)cc3F)c2cc1OC
BDBM153640 COc1cc2nccc(Oc3ccc(NC(=O)c4ccco4)cc3)c2cc1OC
BDBM153641 COc1cc2nccc(Oc3ccc(NC(=O)c4ccsc4)cc3)c2cc1OC
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
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
BDBM27908 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(CC(O)=O)CC3)ncc2c1=O
BDBM27909 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
BDBM27917 CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(C)CC1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27889 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(C(N)=O)c3=O)-c2ccc3CCCc3c2)cc1
BDBM27890 CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1
BDBM27895 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=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
BDBM28031 CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
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
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
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
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
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|
BDBM50194024 CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
BDBM50196392 CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
BDBM50234144 CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50246774 NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
BDBM50248510 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
BDBM50273541 O=C(Nc1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N)c1cccnc1
BDBM50306677 C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306683 C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50306684 C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)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
BDBM50317324 COc1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2cc1OC
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|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50350423 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12
BDBM50350424 Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12
BDBM50358243 CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
BDBM50358244 CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358245 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358246 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358247 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
BDBM50358248 CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358249 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
BDBM50358250 CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50360605 Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
BDBM50360609 C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
BDBM50360610 C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
BDBM50360611 Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355491 Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50364832 COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
BDBM50364833 COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
BDBM50375155 CN1CCN(Cc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1
BDBM50382414 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
BDBM50382415 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(F)c(Cl)c2)cc1F
BDBM50382416 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(F)cc2)cc1F
BDBM50382417 CN1CCN(Cc2ccc(Nc3ncc(C)c(n3)-c3ccc(F)c(Cl)c3)cc2)CC1
BDBM50382418 Cc1cnc(Nc2ccc(OCCN3CCCCC3)cc2)nc1-c1ccc(F)c(Cl)c1
BDBM50382419 CN(C1CCN(C)CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(F)c(Cl)c2)cc1
BDBM50382420 CN1CCN(Cc2ccc(Nc3ncc(C)c(n3)-c3cccc(Cl)c3)cc2)CC1
BDBM50382421 CN1CCN(Cc2ccc(Nc3ncc(C)c(n3)-c3ccc(cc3)C(C)(C)C#N)cc2)CC1
BDBM50382422 CN1CCN(Cc2ccc(Nc3ncc(C)c(Oc4ccc(F)c(Cl)c4)n3)cc2)CC1
BDBM50382423 CN1CCN(Cc2ccc(Nc3ncc(C)c(Nc4ccc(F)c(Cl)c4)n3)cc2)CC1
BDBM50382424 CN1CCN(Cc2ccc(Nc3ncc(C4CC4)c(n3)-c3ccc(F)c(Cl)c3)cc2)CC1
BDBM50382425 CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
BDBM50382426 CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
BDBM50382427 CN1CCN(Cc2ccc(Nc3ncc(C)c(n3)-c3ccc(F)cc3S(=O)(=O)N3CCCC3)cc2)CC1
BDBM50382428 CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc(F)cc3S(=O)(=O)N3CCCC3)cc2)CC1
BDBM50382429 CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1C(F)(F)F
BDBM50382430 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCCC4)n3)cc2)CC1
BDBM50382431 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC4CC4)n3)cc2)CC1
BDBM50382432 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCOCC4)n3)cc2)CC1
BDBM50382433 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
BDBM50382434 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(Cl)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
BDBM50382435 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(O)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
BDBM50382436 CN(c1ccc(F)cc1S(=O)(=O)N1CCCC1)c1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
BDBM50382437 CN(C)S(=O)(=O)c1cc(F)ccc1-c1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
BDBM50382438 CN1CCN(Cc2ccc(Nc3ncc(Cl)c(n3)-c3ccc(F)cc3S(=O)(=O)N3CCCC3)cc2)CC1
BDBM50382439 CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N(C)C2CCN(C)CC2)ncc1Cl
BDBM50382440 CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl
BDBM50382441 Nc1nc(Nc2ccc3CCC(CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1
BDBM50382442 CN1CCC(CC1)n1cc(c(C)n1)-c1cnc(N)c(c1)-c1nc2ccccc2o1
BDBM50382443 COc1cc2c(Oc3cc(NS(=O)(=O)c4cc(F)ccc4F)ccc3F)ccnc2cc1OCCCN1CCC(C)CC1
BDBM50382444 Cc1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc(-c3cccc(CC#N)c3)c12
BDBM50379081 CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
BDBM50399540 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
BDBM50390444 C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50384576 CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(54.06,-16.98,;54.06,-18.52,;55.39,-19.29,;55.39,-20.83,;56.72,-21.6,;58.06,-20.83,;58.06,-19.29,;59.39,-18.52,;60.72,-19.28,;62.2,-18.8,;63.11,-20.06,;62.2,-21.31,;62.67,-22.78,;61.64,-23.92,;62.12,-25.38,;61.08,-26.52,;59.58,-26.2,;58.54,-27.34,;59.11,-24.73,;60.14,-23.59,;60.72,-20.83,;59.39,-21.6,;62.67,-17.34,;64.18,-17.02,;64.66,-15.56,;63.63,-14.41,;64.1,-12.95,;62.11,-14.74,;61.64,-16.2,)|
BDBM50384577 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |(38.98,-28.18,;40.32,-28.95,;41.65,-28.18,;41.65,-26.64,;42.98,-25.87,;44.32,-26.63,;45.79,-26.15,;46.7,-27.41,;45.79,-28.66,;46.27,-30.13,;45.24,-31.27,;43.73,-30.94,;42.7,-32.08,;43.17,-33.54,;42.14,-34.69,;44.68,-33.87,;45.72,-32.73,;44.32,-28.18,;42.98,-28.95,;46.27,-24.69,;45.24,-23.55,;45.71,-22.09,;47.22,-21.76,;48.25,-22.91,;47.77,-24.37,;47.69,-20.3,;49.2,-19.98,;49.67,-18.53,;48.64,-17.38,;47.14,-17.7,;46.65,-19.17,)|
BDBM50384578 CNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)C(C)C |r,wU:10.9,wD:13.13,(-8.33,1.58,;-7,.81,;-5.67,1.58,;-5.66,3.13,;-4.34,3.9,;-3,3.13,;-1.53,3.61,;-.61,2.36,;-1.52,1.1,;-1.05,-.36,;-2.08,-1.51,;-1.6,-2.96,;-2.64,-4.1,;-4.15,-3.78,;-5.18,-4.92,;-4.62,-2.31,;-3.59,-1.18,;-3,1.58,;-4.33,.81,;-1.05,5.08,;.46,5.4,;-2.08,6.22,)|
BDBM50384579 CCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(4.32,-43.39,;5.65,-44.16,;5.65,-45.7,;6.98,-46.48,;8.32,-45.71,;8.32,-44.16,;9.65,-43.39,;10.98,-44.16,;12.46,-43.68,;13.37,-44.93,;12.46,-46.19,;12.94,-47.65,;11.91,-48.79,;10.4,-48.46,;9.37,-49.6,;9.84,-51.07,;8.8,-52.21,;11.34,-51.39,;12.38,-50.25,;10.98,-45.71,;9.65,-46.48,;12.93,-42.21,;14.44,-41.89,;14.92,-40.43,;13.89,-39.29,;12.37,-39.61,;11.91,-41.08,)|
BDBM50384580 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccnc1 |(14.16,-29.06,;15.49,-29.83,;16.83,-29.06,;16.83,-27.51,;18.16,-26.74,;19.49,-27.51,;20.97,-27.03,;21.88,-28.28,;20.97,-29.54,;21.44,-31,;20.41,-32.14,;18.91,-31.81,;17.88,-32.95,;18.35,-34.42,;17.31,-35.56,;19.85,-34.74,;20.89,-33.6,;19.49,-29.06,;18.16,-29.83,;21.44,-25.56,;20.41,-24.43,;20.88,-22.97,;22.39,-22.64,;23.42,-23.78,;22.95,-25.25,)|
BDBM50384581 CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)|
BDBM50384582 N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)|
BDBM50384583 CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)|
BDBM50384584 N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)|
BDBM50384585 N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)|
BDBM50384587 CNc1ncc2c(nn(CC3CCCNC3)c2n1)C(C)C
BDBM50384588 CNc1ncc2c(nn(CC3CCNCC3)c2n1)C(C)C
BDBM50384589 CNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)C(C)=C |r,wU:10.9,wD:13.13,(43.28,2.05,;44.61,1.28,;45.94,2.05,;45.95,3.59,;47.27,4.36,;48.61,3.6,;50.08,4.08,;51,2.82,;50.08,1.57,;50.56,.11,;49.53,-1.04,;50.01,-2.49,;48.97,-3.64,;47.46,-3.31,;46.43,-4.45,;46.99,-1.85,;48.02,-.71,;48.61,2.05,;47.28,1.28,;50.56,5.54,;49.53,6.69,;52.06,5.86,)|
BDBM50384590 CNc1ncc2c(nn(C[C@H]3CC[C@H](O)CC3)c2n1)-c1ccccc1 |r,wU:10.9,wD:13.13,(55.74,2.99,;57.07,2.22,;58.4,2.99,;58.41,4.53,;59.73,5.3,;61.07,4.54,;62.54,5.02,;63.46,3.76,;62.55,2.51,;63.02,1.05,;61.99,-.1,;62.47,-1.55,;61.43,-2.69,;59.92,-2.37,;58.89,-3.51,;59.45,-.9,;60.48,.23,;61.07,2.99,;59.74,2.22,;63.02,6.48,;64.53,6.8,;65.01,8.26,;63.98,9.41,;62.47,9.08,;62,7.62,)|
BDBM50384591 CNc1ncc2c(nn(C[C@@H]3CC[C@H](O)CC3)c2n1)-c1ccccc1 |r,wU:10.9,13.13,(-9.72,-12.39,;-8.39,-13.17,;-7.06,-12.4,;-7.05,-10.85,;-5.73,-10.08,;-4.39,-10.85,;-2.92,-10.37,;-2,-11.62,;-2.92,-12.88,;-2.44,-14.34,;-3.47,-15.48,;-4.98,-15.15,;-6.01,-16.29,;-5.54,-17.76,;-6.57,-18.9,;-4.03,-18.08,;-2.99,-16.94,;-4.39,-12.4,;-5.72,-13.17,;-2.44,-8.9,;-.93,-8.59,;-.46,-7.12,;-1.49,-5.98,;-3,-6.31,;-3.47,-7.77,)|
BDBM50384592 CNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccccc1 |r,wU:10.9,wD:13.13,(2.58,-11.99,;3.91,-12.76,;5.24,-11.99,;5.25,-10.45,;6.57,-9.68,;7.91,-10.44,;9.38,-9.96,;10.3,-11.22,;9.38,-12.47,;9.86,-13.94,;8.83,-15.08,;9.31,-16.53,;8.27,-17.68,;6.76,-17.35,;5.73,-18.49,;6.29,-15.89,;7.32,-14.75,;7.91,-11.99,;6.58,-12.76,;9.86,-8.5,;11.37,-8.18,;11.84,-6.72,;10.81,-5.57,;9.3,-5.9,;8.83,-7.36,)|
BDBM50384593 CNc1ncc2c(nn(C[C@@H]3CC[C@H](N)CC3)c2n1)-c1ccccc1 |r,wU:10.9,13.13,(15.74,-11.88,;17.07,-12.65,;18.41,-11.88,;18.41,-10.33,;19.74,-9.56,;21.07,-10.33,;22.55,-9.85,;23.46,-11.1,;22.55,-12.36,;23.02,-13.82,;21.99,-14.96,;20.49,-14.63,;19.46,-15.77,;19.93,-17.24,;18.89,-18.38,;21.43,-17.56,;22.47,-16.42,;21.07,-11.88,;19.74,-12.65,;23.02,-8.38,;24.53,-8.07,;25.01,-6.6,;23.97,-5.46,;22.46,-5.79,;21.99,-7.25,)|
BDBM50384594 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(OC)cc1 |(27.44,-11.39,;28.77,-12.16,;30.1,-11.4,;30.1,-9.85,;31.43,-9.08,;32.77,-9.84,;34.24,-9.36,;35.15,-10.62,;34.24,-11.87,;34.72,-13.34,;33.69,-14.48,;32.18,-14.15,;31.15,-15.29,;31.62,-16.76,;30.59,-17.9,;33.13,-17.08,;34.17,-15.94,;32.77,-11.4,;31.44,-12.17,;34.72,-7.9,;36.23,-7.58,;36.7,-6.12,;35.67,-4.98,;36.14,-3.51,;37.65,-3.19,;34.16,-5.3,;33.69,-6.77,)|
BDBM50384595 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1cccc(OC)c1 |(38.73,-12.44,;40.06,-13.21,;41.39,-12.44,;41.4,-10.9,;42.72,-10.13,;44.06,-10.89,;45.53,-10.41,;46.45,-11.67,;45.53,-12.92,;46.01,-14.39,;44.98,-15.53,;43.47,-15.2,;42.44,-16.34,;42.91,-17.8,;41.88,-18.94,;44.42,-18.13,;45.46,-16.98,;44.06,-12.44,;42.73,-13.21,;46.01,-8.95,;44.98,-7.81,;45.45,-6.35,;46.96,-6.03,;47.99,-7.17,;49.5,-6.85,;50.53,-8,;47.52,-8.63,)|
BDBM50384596 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1OC |(55.1,-12.21,;56.43,-12.98,;57.77,-12.21,;57.77,-10.67,;59.1,-9.9,;60.43,-10.66,;61.91,-10.18,;62.82,-11.44,;61.91,-12.69,;62.38,-14.15,;61.35,-15.3,;59.85,-14.97,;58.82,-16.11,;59.29,-17.57,;58.25,-18.71,;60.79,-17.9,;61.83,-16.75,;60.43,-12.21,;59.1,-12.98,;62.38,-8.72,;63.89,-8.4,;64.37,-6.94,;63.34,-5.79,;61.82,-6.12,;61.35,-7.58,;59.85,-7.91,;58.81,-6.77,)|
BDBM50384597 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)C(F)(F)F |(-9.78,-29,;-8.45,-29.77,;-7.11,-29.01,;-7.11,-27.46,;-5.78,-26.69,;-4.45,-27.45,;-2.97,-26.97,;-2.06,-28.23,;-2.97,-29.48,;-2.49,-30.95,;-3.52,-32.09,;-5.03,-31.76,;-6.06,-32.9,;-5.59,-34.37,;-6.63,-35.51,;-4.09,-34.69,;-3.05,-33.55,;-4.45,-29.01,;-5.78,-29.78,;-2.5,-25.51,;-.99,-25.19,;-.51,-23.73,;-1.54,-22.58,;-3.06,-22.91,;-3.53,-24.37,;-1.07,-21.12,;.44,-20.8,;-2.1,-19.98,;-.31,-19.78,)|
BDBM50384598 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)-c1ccccc1 |(2.22,-28.77,;3.55,-29.54,;4.89,-28.77,;4.89,-27.22,;6.22,-26.45,;7.55,-27.22,;9.03,-26.74,;9.94,-27.99,;9.03,-29.25,;9.5,-30.71,;8.47,-31.86,;6.96,-31.52,;5.94,-32.66,;6.41,-34.13,;5.37,-35.27,;7.91,-34.45,;8.95,-33.31,;7.55,-28.77,;6.22,-29.54,;9.5,-25.27,;11.01,-24.96,;11.49,-23.49,;10.45,-22.35,;8.94,-22.68,;8.47,-24.14,;10.92,-20.89,;12.43,-20.57,;12.91,-19.11,;11.87,-17.96,;10.36,-18.29,;9.89,-19.75,)|
BDBM50384599 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(F)nc1 |(25.93,-29.7,;27.27,-30.47,;28.6,-29.7,;28.6,-28.15,;29.93,-27.38,;31.27,-28.15,;32.74,-27.67,;33.65,-28.92,;32.74,-30.18,;33.22,-31.64,;32.19,-32.79,;30.68,-32.45,;29.65,-33.59,;30.12,-35.06,;29.09,-36.2,;31.63,-35.38,;32.66,-34.24,;31.27,-29.7,;29.93,-30.47,;33.22,-26.2,;32.19,-25.07,;32.66,-23.61,;34.17,-23.28,;34.64,-21.81,;35.2,-24.43,;34.72,-25.89,)|
BDBM50384600 CNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |(53.41,-28.01,;54.75,-28.78,;56.08,-28.01,;56.08,-26.46,;57.41,-25.69,;58.74,-26.46,;60.22,-25.98,;61.13,-27.23,;60.22,-28.49,;60.7,-29.95,;59.67,-31.09,;58.16,-30.76,;57.13,-31.9,;57.6,-33.37,;56.56,-34.51,;59.11,-33.69,;60.14,-32.55,;58.75,-28.01,;57.41,-28.78,;60.69,-24.51,;62.2,-24.2,;62.68,-22.74,;61.65,-21.59,;60.13,-21.92,;59.67,-23.38,;62.12,-20.13,;63.62,-19.81,;64.1,-18.35,;63.07,-17.2,;61.56,-17.52,;61.08,-18.99,)|
BDBM50384601 CN(C)c1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-8.09,-43.51,;-6.76,-44.28,;-6.76,-45.82,;-5.42,-43.51,;-5.42,-41.97,;-4.09,-41.2,;-2.76,-41.96,;-1.28,-41.48,;-.37,-42.73,;-1.28,-43.99,;-.81,-45.45,;-1.84,-46.6,;-3.35,-46.27,;-4.37,-47.4,;-3.9,-48.87,;-4.94,-50.01,;-2.4,-49.19,;-1.36,-48.05,;-2.76,-43.51,;-4.09,-44.28,;-.81,-40.02,;.7,-39.7,;1.17,-38.24,;.14,-37.09,;-1.37,-37.42,;-1.84,-38.88,)|
BDBM50384602 CCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(18.02,-41.5,;18.01,-43.04,;19.35,-43.81,;19.35,-45.35,;20.68,-46.13,;22.01,-45.36,;22.02,-43.81,;23.35,-43.04,;24.68,-43.81,;26.16,-43.33,;27.07,-44.58,;26.16,-45.84,;26.63,-47.3,;25.6,-48.44,;24.09,-48.11,;23.06,-49.25,;23.53,-50.72,;22.5,-51.86,;25.04,-51.04,;26.08,-49.9,;24.68,-45.36,;23.35,-46.13,;26.63,-41.86,;28.14,-41.54,;28.62,-40.08,;27.58,-38.94,;26.07,-39.26,;25.6,-40.73,)|
BDBM50384603 CCCCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(28.3,-45.79,;29.63,-46.56,;30.97,-45.8,;32.3,-46.57,;33.63,-45.8,;34.97,-46.57,;36.3,-45.8,;36.3,-44.26,;37.63,-43.48,;38.97,-44.25,;40.44,-43.77,;41.36,-45.02,;40.44,-46.28,;40.92,-47.74,;39.89,-48.89,;38.38,-48.56,;37.35,-49.69,;37.82,-51.16,;36.79,-52.3,;39.33,-51.49,;40.37,-50.34,;38.97,-45.8,;37.64,-46.57,;40.92,-42.3,;42.43,-41.99,;42.9,-40.53,;41.87,-39.38,;40.36,-39.71,;39.89,-41.17,)|
BDBM50384604 CC(C)Nc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(44.35,-41.95,;44.34,-43.49,;43.01,-44.26,;45.68,-44.26,;47.01,-43.49,;47.01,-41.95,;48.34,-41.17,;49.68,-41.94,;51.15,-41.46,;52.07,-42.71,;51.15,-43.97,;51.63,-45.43,;50.6,-46.58,;49.09,-46.25,;48.06,-47.38,;48.53,-48.85,;47.5,-49.99,;50.04,-49.18,;51.08,-48.03,;49.68,-43.49,;48.35,-44.26,;51.63,-39.99,;53.14,-39.68,;53.61,-38.22,;52.58,-37.07,;51.07,-37.4,;50.6,-38.86,)|
BDBM50384605 NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NC4CCC4)nc23)CC1 |(61.71,-49.99,;62.75,-48.84,;62.28,-47.38,;63.31,-46.24,;64.82,-46.57,;65.85,-45.43,;65.37,-43.96,;66.28,-42.71,;65.37,-41.45,;65.85,-39.99,;67.35,-39.67,;67.83,-38.21,;66.8,-37.06,;65.29,-37.39,;64.82,-38.85,;63.9,-41.93,;62.56,-41.17,;61.23,-41.94,;61.23,-43.48,;59.9,-44.25,;58.56,-43.48,;58.17,-41.99,;56.68,-42.39,;57.08,-43.88,;62.56,-44.25,;63.9,-43.48,;65.3,-48.02,;64.26,-49.17,)|
BDBM50384606 COCCNc1ncc2c(nn(CC3CCC(N)CC3)c2n1)-c1ccccc1 |(-9.77,3.44,;-9.77,1.9,;-8.43,1.13,;-8.44,-.41,;-7.1,-1.19,;-5.77,-.42,;-5.77,1.13,;-4.44,1.9,;-3.1,1.13,;-1.63,1.61,;-.71,.36,;-1.63,-.9,;-1.15,-2.36,;-2.18,-3.5,;-3.69,-3.17,;-4.72,-4.31,;-4.25,-5.78,;-5.28,-6.92,;-2.74,-6.1,;-1.7,-4.96,;-3.1,-.42,;-4.43,-1.19,;-1.15,3.08,;.36,3.4,;.83,4.86,;-.2,6,;-1.71,5.68,;-2.18,4.21,)|
BDBM50384607 NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCN4CCOCC4)nc23)CC1 |(7.25,-7.22,;8.28,-6.07,;7.81,-4.61,;8.84,-3.47,;10.35,-3.8,;11.38,-2.66,;10.9,-1.19,;11.82,.06,;10.9,1.32,;11.38,2.78,;12.89,3.1,;13.36,4.56,;12.33,5.71,;10.82,5.38,;10.35,3.92,;9.43,.84,;8.09,1.6,;6.76,.83,;6.76,-.71,;5.43,-1.48,;4.09,-.71,;4.1,.83,;2.76,1.6,;2.76,3.14,;4.11,3.91,;4.11,5.44,;2.78,6.22,;1.45,5.45,;1.44,3.91,;8.1,-1.48,;9.43,-.71,;10.83,-5.25,;9.79,-6.4,)|
BDBM50384608 NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCc4ccccc4)nc23)CC1 |(19.2,-7.89,;20.24,-6.75,;19.77,-5.28,;20.8,-4.15,;22.3,-4.48,;23.33,-3.33,;22.86,-1.87,;23.77,-.61,;22.86,.64,;23.33,2.11,;24.84,2.42,;25.32,3.89,;24.29,5.03,;22.77,4.7,;22.3,3.24,;21.38,.16,;20.05,.93,;18.72,.16,;18.72,-1.39,;17.38,-2.16,;16.05,-1.39,;16.05,.15,;17.39,.91,;17.39,2.45,;16.06,3.22,;14.72,2.45,;14.72,.91,;20.05,-2.16,;21.38,-1.39,;22.78,-5.93,;21.74,-7.08,)|
BDBM50384609 COc1ccc(CNc2ncc3c(nn(CC4CCC(N)CC4)c3n2)-c2ccccc2)cc1 |(30.43,6.19,;29.1,5.42,;29.1,3.88,;30.43,3.11,;30.43,1.57,;29.09,.81,;29.09,-.73,;30.43,-1.5,;31.76,-.74,;31.76,.81,;33.09,1.58,;34.43,.82,;35.9,1.3,;36.81,.04,;35.9,-1.21,;36.38,-2.68,;35.35,-3.82,;33.84,-3.49,;32.81,-4.63,;33.28,-6.1,;32.24,-7.24,;34.79,-6.42,;35.83,-5.28,;34.43,-.74,;33.09,-1.51,;36.38,2.76,;37.88,3.08,;38.36,4.54,;37.33,5.69,;35.82,5.36,;35.35,3.9,;27.77,1.57,;27.76,3.1,)|
BDBM50384610 NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc23)CC1 |(46.58,-5.67,;47.62,-4.53,;47.15,-3.06,;48.18,-1.92,;49.69,-2.25,;50.72,-1.11,;50.24,.36,;51.15,1.61,;50.24,2.87,;50.71,4.33,;52.22,4.65,;52.7,6.11,;51.67,7.26,;50.15,6.93,;49.69,5.47,;48.76,2.39,;47.43,3.15,;46.1,2.38,;46.1,.84,;44.76,.07,;43.43,.84,;43.43,2.38,;42.1,3.15,;42.11,4.69,;40.78,5.46,;39.44,4.69,;39.44,3.14,;40.78,2.38,;47.43,.06,;48.76,.84,;50.16,-3.71,;49.13,-4.85,)|
BDBM50384611 NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |(60.57,-5.96,;61.61,-4.81,;61.14,-3.35,;62.17,-2.21,;63.67,-2.54,;64.7,-1.4,;64.23,.07,;65.14,1.32,;64.23,2.58,;64.7,4.04,;66.21,4.36,;66.69,5.82,;65.66,6.97,;64.14,6.64,;63.67,5.18,;62.75,2.1,;61.42,2.86,;60.09,2.09,;60.09,.55,;58.75,-.22,;57.42,.55,;57.42,2.09,;56.09,2.86,;56.09,4.4,;57.43,5.17,;57.44,6.71,;56.1,7.48,;54.76,6.7,;54.77,5.17,;61.42,-.22,;62.75,.55,;64.15,-3.99,;63.11,-5.14,)|
BDBM50384586 CNc1ncc2c(nn(C[C@@H]3CCCN3)c2n1)C(C)C |r|
BDBM50393541 CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50393544 O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N |t:10|
BDBM50396243 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
BDBM50396263 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|
BDBM50396534 Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
BDBM50413752 COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
BDBM50425829 Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1
BDBM50425830 Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
BDBM50425831 COc1ccccc1CNc1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1
BDBM50425832 COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
BDBM50431278 Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
BDBM50431279 Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
BDBM50431280 Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
BDBM50431281 CC(C)S(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
BDBM50421320 [O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
BDBM50421321 [O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50421322 COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
BDBM50442259 C[C@@H](Sc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50443560 C[C@@H](Oc1cc(cnc1N)-c1ccc2c(NC(=O)C22CCN(C)CC2)c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50444041 CCCCNc1ncc(c(NC[C@H]2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(.58,-12.75,;1.91,-11.98,;3.24,-12.75,;4.58,-11.98,;5.91,-12.75,;7.24,-11.98,;8.58,-12.75,;9.92,-11.98,;9.91,-10.43,;8.58,-9.67,;8.57,-8.13,;7.23,-7.36,;7.23,-5.82,;5.91,-5.06,;5.89,-3.53,;7.23,-2.76,;7.22,-1.22,;8.57,-3.52,;8.57,-5.05,;7.25,-10.44,;11.24,-9.66,;12.57,-10.43,;13.9,-9.65,;13.9,-8.11,;12.55,-7.35,;11.23,-8.12,)|
BDBM50444042 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r,wU:11.10,wD:14.14,(58.28,-22.87,;59.62,-22.1,;60.95,-22.87,;62.28,-22.11,;63.62,-22.88,;64.95,-22.11,;66.29,-22.88,;67.62,-22.11,;67.62,-20.56,;66.28,-19.79,;66.28,-18.25,;64.94,-17.49,;63.62,-18.26,;62.28,-17.48,;62.28,-15.94,;60.94,-15.17,;63.61,-15.17,;64.94,-15.94,;64.95,-20.56,;68.95,-19.78,;70.28,-20.55,;71.61,-19.78,;71.6,-18.24,;72.93,-17.46,;74.27,-18.22,;74.27,-19.76,;75.6,-20.53,;76.93,-19.76,;76.93,-18.21,;75.59,-17.44,;70.26,-17.47,;68.93,-18.25,)|
BDBM50444043 OCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(50.03,-56.64,;51.36,-57.41,;52.7,-56.64,;54.03,-57.41,;55.36,-56.64,;56.7,-57.41,;58.03,-56.64,;59.37,-57.41,;60.7,-56.64,;60.7,-55.09,;59.36,-54.33,;59.36,-52.79,;58.02,-52.02,;56.7,-52.79,;55.36,-52.02,;55.36,-50.48,;54.03,-49.7,;56.69,-49.71,;58.02,-50.47,;58.03,-55.1,;62.03,-54.32,;63.36,-55.09,;64.69,-54.31,;64.69,-52.77,;63.34,-52.01,;62.03,-52.78,)|
BDBM50444044 OCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(32.88,-56.7,;34.22,-55.94,;35.55,-56.71,;36.88,-55.94,;38.22,-56.71,;39.55,-55.94,;40.89,-56.71,;42.22,-55.94,;42.22,-54.39,;40.88,-53.62,;40.88,-52.08,;39.54,-51.32,;38.22,-52.09,;36.88,-51.32,;36.88,-49.77,;35.54,-49,;38.21,-49.01,;39.54,-49.77,;39.55,-54.4,;43.55,-53.61,;44.88,-54.38,;46.21,-53.61,;46.2,-52.07,;44.86,-51.3,;43.54,-52.08,)|
BDBM50444045 OCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:10.9,wD:13.13,(19.7,-54.36,;21.03,-55.13,;22.37,-54.36,;23.7,-55.13,;25.03,-54.36,;26.37,-55.14,;27.7,-54.36,;27.7,-52.81,;26.36,-52.05,;26.36,-50.51,;25.02,-49.74,;23.7,-50.51,;22.36,-49.74,;22.36,-48.2,;21.03,-47.43,;23.69,-47.43,;25.02,-48.2,;25.03,-52.82,;29.03,-52.04,;30.36,-52.81,;31.69,-52.04,;31.69,-50.49,;30.34,-49.73,;29.03,-50.5,)|
BDBM50444046 O[C@H]1CC[C@@H](CC1)Nc1nc(NCCc2ccccc2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(4.22,-46.58,;5.55,-47.35,;5.55,-48.89,;6.89,-49.66,;8.21,-48.89,;8.21,-47.35,;6.89,-46.58,;9.55,-49.66,;9.55,-51.2,;8.23,-51.97,;8.22,-53.51,;6.89,-54.28,;5.56,-53.51,;4.22,-54.28,;2.89,-53.51,;2.9,-51.97,;1.57,-51.2,;.23,-51.96,;.24,-53.51,;1.57,-54.28,;9.56,-54.28,;10.9,-53.51,;10.89,-51.96,;12.22,-51.19,;13.55,-51.96,;14.88,-51.18,;14.88,-49.64,;13.53,-48.88,;12.22,-49.65,)|
BDBM50444047 O[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(57.34,-36.38,;58.68,-37.15,;58.68,-38.69,;60.01,-39.47,;61.34,-38.7,;61.34,-37.15,;60.01,-36.38,;62.68,-39.46,;62.68,-41,;61.35,-41.77,;61.35,-43.32,;60.02,-44.09,;58.68,-43.31,;57.35,-44.08,;56.02,-43.31,;54.68,-44.08,;54.68,-45.62,;56.02,-46.39,;57.35,-45.62,;62.68,-44.09,;64.02,-43.32,;64.02,-41.76,;65.35,-40.99,;66.68,-41.76,;68.01,-40.99,;68,-39.45,;66.66,-38.68,;65.34,-39.45,)|
BDBM50444048 O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCCCC2)ncc1-c1ccccn1 |r,wU:4.7,wD:1.0,(42.68,-36.74,;44.01,-37.51,;44.01,-39.05,;45.35,-39.82,;46.67,-39.05,;46.67,-37.51,;45.35,-36.74,;48.01,-39.82,;48.01,-41.36,;46.69,-42.13,;46.68,-43.67,;45.35,-44.44,;44.02,-43.67,;44.02,-42.13,;42.7,-41.36,;41.36,-42.12,;41.36,-43.67,;42.69,-44.45,;48.02,-44.45,;49.35,-43.67,;49.35,-42.12,;50.68,-41.35,;52.01,-42.12,;53.34,-41.35,;53.34,-39.8,;51.99,-39.04,;50.68,-39.81,)|
BDBM50444049 O[C@H]1CC[C@@H](CC1)Nc1nc(ncc1-c1ccccn1)N1CCCCC1 |r,wU:4.7,wD:1.0,(28.78,-35.05,;30.11,-35.82,;30.11,-37.36,;31.45,-38.14,;32.77,-37.36,;32.77,-35.82,;31.45,-35.05,;34.11,-38.13,;34.11,-39.67,;32.79,-40.44,;32.78,-41.98,;34.12,-42.75,;35.46,-41.98,;35.45,-40.43,;36.78,-39.66,;38.11,-40.43,;39.44,-39.66,;39.44,-38.11,;38.09,-37.35,;36.78,-38.12,;31.45,-42.75,;30.12,-41.97,;28.79,-42.74,;28.79,-44.28,;30.12,-45.05,;31.46,-44.29,)|
BDBM50444050 CCCCN(C)c1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(13.82,-42.69,;15.15,-41.92,;16.49,-42.69,;17.82,-41.92,;19.15,-42.69,;19.15,-44.23,;20.49,-41.92,;21.82,-42.69,;23.16,-41.92,;23.15,-40.37,;21.82,-39.61,;21.81,-38.07,;20.48,-37.3,;19.15,-38.07,;17.82,-37.3,;17.82,-35.76,;16.48,-34.99,;19.15,-34.99,;20.48,-35.76,;20.49,-40.38,;24.49,-39.6,;25.82,-40.37,;27.15,-39.6,;27.14,-38.05,;25.8,-37.29,;24.48,-38.06,)|
BDBM50444051 CCCC(C)Nc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(.76,-42.22,;2.1,-41.45,;3.43,-42.22,;4.76,-41.46,;4.76,-39.92,;6.1,-42.23,;7.43,-41.46,;8.76,-42.23,;10.1,-41.46,;10.1,-39.91,;8.76,-39.14,;8.76,-37.6,;7.42,-36.84,;6.09,-37.61,;4.76,-36.83,;4.76,-35.29,;3.42,-34.52,;6.09,-34.52,;7.42,-35.29,;7.43,-39.91,;11.43,-39.13,;12.76,-39.9,;14.09,-39.13,;14.08,-37.59,;12.74,-36.82,;11.42,-37.59,)|
BDBM50444052 CCCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:12.11,wD:15.15,(63.37,-31.5,;64.7,-32.28,;66.03,-31.51,;67.37,-32.28,;68.7,-31.51,;70.03,-32.28,;71.37,-31.51,;72.7,-32.28,;74.04,-31.51,;74.03,-29.96,;72.7,-29.2,;72.69,-27.66,;71.36,-26.89,;70.03,-27.66,;68.7,-26.89,;68.7,-25.35,;67.36,-24.57,;70.03,-24.58,;71.36,-25.34,;71.37,-29.97,;75.37,-29.18,;76.7,-29.96,;78.03,-29.18,;78.02,-27.64,;76.68,-26.88,;75.36,-27.65,)|
BDBM50444053 CCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:10.9,wD:13.13,(52.63,-30.64,;53.96,-31.41,;55.29,-30.64,;56.63,-31.41,;57.96,-30.64,;59.29,-31.41,;60.63,-30.64,;60.63,-29.09,;59.29,-28.32,;59.29,-26.78,;57.95,-26.02,;56.62,-26.79,;55.29,-26.02,;55.29,-24.47,;53.95,-23.7,;56.62,-23.71,;57.95,-24.47,;57.96,-29.09,;61.96,-28.31,;63.29,-29.08,;64.62,-28.31,;64.61,-26.77,;63.27,-26,;61.95,-26.78,)|
BDBM50444054 CCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:9.8,wD:12.12,(38.73,-32.11,;40.06,-31.34,;41.4,-32.12,;42.73,-31.35,;44.07,-32.12,;45.4,-31.35,;45.4,-29.8,;44.06,-29.03,;44.06,-27.49,;42.72,-26.73,;41.4,-27.5,;40.06,-26.72,;40.06,-25.18,;38.73,-24.41,;41.39,-24.41,;42.72,-25.18,;42.73,-29.8,;46.73,-29.02,;48.06,-29.79,;49.39,-29.02,;49.38,-27.48,;48.04,-26.71,;46.72,-27.48,)|
BDBM50444055 CNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:8.7,wD:11.11,(26.94,-31.28,;28.28,-32.05,;29.61,-31.28,;30.95,-32.06,;32.28,-31.28,;32.28,-29.73,;30.94,-28.97,;30.94,-27.43,;29.6,-26.66,;28.28,-27.44,;26.94,-26.66,;26.94,-25.12,;25.6,-24.35,;28.27,-24.35,;29.6,-25.12,;29.61,-29.74,;33.61,-28.96,;34.94,-29.73,;36.27,-28.96,;36.26,-27.41,;34.92,-26.65,;33.6,-27.42,)|
BDBM50444056 CSc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:8.7,wD:11.11,(15.82,-31.34,;17.16,-32.11,;18.49,-31.34,;19.82,-32.11,;21.16,-31.34,;21.16,-29.79,;19.82,-29.02,;19.82,-27.48,;18.48,-26.72,;17.15,-27.49,;15.82,-26.72,;15.82,-25.17,;14.48,-24.4,;17.15,-24.41,;18.48,-25.17,;18.49,-29.8,;22.49,-29.01,;23.82,-29.78,;25.15,-29.01,;25.14,-27.47,;23.8,-26.7,;22.48,-27.48,)|
BDBM50444057 CCCCNc1ncc(-c2ccccn2)c(n1)N1CCNCC1
BDBM50444058 CCCCNc1ncc(c(NCCCCO)n1)-c1ccccn1
BDBM50444059 CCCCNc1ncc(c(NCCCO)n1)-c1ccccn1
BDBM50444060 CCCCNc1ncc(c(N[C@H]2C[C@H](O)C2)n1)-c1ccccn1 |r,wU:11.10,wD:13.13,(17.41,-20.14,;18.75,-19.37,;20.08,-20.14,;21.42,-19.37,;22.75,-20.14,;24.08,-19.37,;25.42,-20.14,;26.76,-19.37,;26.75,-17.82,;25.41,-17.06,;25.41,-15.52,;24.07,-14.75,;22.64,-15.31,;22.08,-13.88,;20.67,-13.26,;23.52,-13.32,;24.09,-17.83,;28.08,-17.05,;29.41,-17.82,;30.74,-17.04,;30.74,-15.5,;29.39,-14.74,;28.08,-15.51,)|
BDBM50444061 CCCCNc1ncc(c(N[C@@H]2CC[C@@H](O)C2)n1)-c1ccccn1 |r|
BDBM50444062 CCCCNc1ncc(c(NCC2CCNCC2)n1)-c1ccccn1
BDBM50444063 CCCCNc1ncc(c(NC2CCNCC2)n1)-c1ccccn1
BDBM50444064 CCCCNc1ncc(c(Nc2ccc(N)cc2)n1)-c1ccccn1
BDBM50444082 CCCCNc1nccc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:11.10,wD:14.14,(64.45,-12.61,;65.79,-11.84,;67.12,-12.61,;68.46,-11.84,;69.79,-12.61,;71.12,-11.84,;72.46,-12.61,;73.79,-11.84,;73.79,-10.29,;72.45,-9.53,;72.45,-7.99,;71.11,-7.22,;69.79,-7.99,;68.45,-7.22,;68.45,-5.68,;67.12,-4.9,;69.79,-4.91,;71.11,-5.67,;71.12,-10.3,)|
BDBM50444065 CCCCNc1ncc(c(N[C@H]2CC[C@H](CN)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(31.68,-9.79,;33.01,-9.02,;34.35,-9.79,;35.68,-9.02,;37.01,-9.8,;38.35,-9.03,;39.68,-9.8,;41.02,-9.03,;41.01,-7.48,;39.68,-6.71,;39.67,-5.17,;38.34,-4.41,;37.01,-5.18,;35.67,-4.4,;35.67,-2.86,;34.34,-2.09,;34.34,-.55,;37.01,-2.09,;38.34,-2.86,;38.35,-7.48,;42.34,-6.7,;43.68,-7.47,;45,-6.7,;45,-5.16,;43.65,-4.39,;42.34,-5.16,)|
BDBM50444066 CCCCNc1ncc(c(N[C@H]2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(15.98,-7.45,;17.32,-6.68,;18.65,-7.45,;19.98,-6.68,;21.32,-7.45,;22.65,-6.69,;23.98,-7.46,;25.32,-6.68,;25.32,-5.13,;23.98,-4.37,;23.98,-2.83,;22.64,-2.06,;21.31,-2.84,;19.98,-2.06,;19.98,-.52,;18.64,.26,;21.31,.25,;22.64,-.52,;22.65,-5.14,;26.65,-4.36,;27.98,-5.13,;29.31,-4.36,;29.3,-2.81,;27.96,-2.05,;26.64,-2.82,)|
BDBM50444067 CCCCNc1ncc(c(NC2CCCCC2)n1)-c1ccccn1
BDBM50444068 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wU:11.10,wD:14.14,(43.3,-58.78,;44.63,-58.01,;45.97,-58.78,;47.3,-58.01,;48.63,-58.78,;49.97,-58.01,;51.3,-58.78,;52.64,-58.01,;52.63,-56.46,;51.3,-55.7,;51.29,-54.16,;49.96,-53.39,;48.63,-54.16,;47.29,-53.39,;47.29,-51.84,;45.96,-51.07,;48.63,-51.08,;49.96,-51.84,;49.97,-56.47,;53.96,-55.68,;55.3,-56.46,;56.63,-55.68,;56.62,-54.14,;57.95,-53.36,;59.29,-54.13,;60.62,-53.35,;61.96,-54.11,;63.28,-53.34,;55.27,-53.38,;53.95,-54.15,)|
BDBM50444069 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wU:11.10,wD:14.14,(20.96,-58.36,;22.3,-57.6,;23.63,-58.37,;24.96,-57.6,;26.3,-58.37,;27.63,-57.6,;28.96,-58.37,;30.3,-57.6,;30.3,-56.05,;28.96,-55.28,;28.96,-53.74,;27.62,-52.98,;26.29,-53.75,;24.96,-52.98,;24.96,-51.43,;23.62,-50.66,;26.29,-50.67,;27.62,-51.43,;27.63,-56.06,;31.63,-55.27,;32.96,-56.04,;34.29,-55.27,;34.28,-53.73,;35.61,-52.95,;36.95,-53.72,;38.28,-52.94,;39.81,-52.93,;39.04,-51.6,;32.94,-52.96,;31.61,-53.74,)|
BDBM50444070 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wU:11.10,wD:14.14,(-.85,-56.03,;.49,-55.27,;1.83,-56.04,;3.16,-55.27,;4.49,-56.04,;5.83,-55.27,;7.16,-56.04,;8.5,-55.27,;8.49,-53.72,;7.16,-52.95,;7.15,-51.42,;5.82,-50.65,;4.49,-51.42,;3.16,-50.65,;3.15,-49.1,;1.82,-48.33,;4.49,-48.34,;5.82,-49.1,;5.83,-53.73,;9.83,-52.94,;11.16,-53.71,;12.49,-52.94,;12.48,-51.4,;13.81,-50.62,;15.15,-51.39,;16.48,-50.61,;17.81,-51.38,;19.14,-50.61,;19.14,-49.07,;17.8,-48.3,;16.46,-49.08,;11.14,-50.63,;9.81,-51.41,)|
BDBM50444071 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(NC(=O)C2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(41.44,-46.25,;42.77,-45.48,;44.11,-46.25,;45.44,-45.48,;46.77,-46.25,;48.11,-45.48,;49.44,-46.25,;50.78,-45.48,;50.78,-43.93,;49.44,-43.17,;49.44,-41.63,;48.1,-40.86,;46.77,-41.63,;45.44,-40.86,;45.44,-39.32,;44.1,-38.54,;46.77,-38.55,;48.1,-39.31,;48.11,-43.94,;52.11,-43.16,;53.44,-43.93,;54.77,-43.15,;54.76,-41.61,;56.09,-40.83,;57.43,-41.6,;57.44,-43.14,;58.76,-40.82,;60.09,-41.59,;61.42,-40.82,;61.42,-39.28,;62.75,-38.51,;60.08,-38.51,;58.74,-39.29,;53.42,-40.85,;52.09,-41.62,)|
BDBM50444072 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wU:11.10,wD:14.14,(42.31,-47.3,;43.64,-46.53,;44.98,-47.3,;46.31,-46.53,;47.64,-47.3,;48.98,-46.53,;50.31,-47.3,;51.65,-46.53,;51.65,-44.98,;50.31,-44.22,;50.31,-42.68,;48.97,-41.91,;47.64,-42.68,;46.31,-41.91,;46.31,-40.36,;44.97,-39.59,;47.64,-39.6,;48.97,-40.36,;48.98,-44.99,;52.98,-44.2,;54.31,-44.98,;55.64,-44.2,;55.63,-42.66,;54.29,-41.9,;52.96,-42.67,;56.96,-41.88,;56.95,-40.34,;58.3,-42.65,;59.63,-41.87,;60.96,-42.64,;62.29,-41.87,;62.29,-40.33,;63.62,-39.56,;60.95,-39.56,;59.61,-40.34,)|
BDBM50444073 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)N1CCOCC1 |r,wU:11.10,wD:14.14,(17.06,-43.23,;18.4,-42.47,;19.73,-43.24,;21.06,-42.47,;22.4,-43.24,;23.73,-42.47,;25.07,-43.24,;26.4,-42.47,;26.4,-40.92,;25.06,-40.15,;25.06,-38.61,;23.72,-37.85,;22.4,-38.62,;21.06,-37.85,;21.06,-36.3,;19.73,-35.53,;22.39,-35.54,;23.72,-36.3,;23.73,-40.93,;27.73,-40.14,;29.06,-40.91,;30.39,-40.14,;30.39,-38.6,;29.04,-37.83,;27.72,-38.61,;31.72,-37.82,;32.48,-36.48,;30.94,-36.49,;33.05,-38.59,;33.05,-40.13,;34.38,-40.89,;35.71,-40.12,;35.71,-38.58,;34.37,-37.81,)|
BDBM50444074 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(C)C)cn1 |r,wU:11.10,wD:14.14,(-4.06,-43.37,;-2.72,-42.6,;-1.39,-43.37,;-.05,-42.6,;1.29,-43.37,;2.62,-42.6,;3.96,-43.37,;5.29,-42.6,;5.29,-41.05,;3.95,-40.29,;3.95,-38.75,;2.61,-37.98,;1.29,-38.75,;-.06,-37.98,;-.06,-36.44,;-1.39,-35.67,;1.29,-35.67,;2.61,-36.44,;2.63,-41.06,;6.62,-40.28,;7.95,-41.05,;9.28,-40.27,;9.27,-38.73,;10.6,-37.96,;11.94,-38.72,;13.26,-37.94,;11.95,-40.26,;7.93,-37.97,;6.6,-38.75,)|
BDBM50444075 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wU:11.10,wD:14.14,(52.92,-33.3,;54.26,-32.53,;55.59,-33.3,;56.93,-32.54,;58.26,-33.31,;59.59,-32.54,;60.93,-33.31,;62.26,-32.54,;62.26,-30.99,;60.92,-30.22,;60.92,-28.68,;59.58,-27.92,;58.26,-28.69,;56.92,-27.91,;56.92,-26.37,;55.59,-25.6,;58.26,-25.6,;59.58,-26.37,;59.6,-30.99,;63.59,-30.21,;64.92,-30.98,;66.25,-30.21,;66.25,-28.67,;67.58,-27.89,;68.91,-28.65,;68.91,-30.19,;70.24,-30.96,;71.58,-30.19,;72.35,-31.52,;73.12,-30.18,;71.57,-28.64,;70.23,-27.87,;64.9,-27.9,;63.58,-28.68,)|
BDBM50444077 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(CN2CCOCC2)ccn1 |r,wU:11.10,wD:14.14,(16.07,-32.76,;17.4,-31.99,;18.74,-32.76,;20.07,-31.99,;21.4,-32.76,;22.74,-31.99,;24.07,-32.77,;25.41,-31.99,;25.4,-30.44,;24.07,-29.68,;24.06,-28.14,;22.73,-27.37,;21.4,-28.15,;20.06,-27.37,;20.06,-25.83,;18.73,-25.06,;21.4,-25.06,;22.73,-25.83,;22.74,-30.45,;26.73,-29.67,;28.07,-30.44,;29.4,-29.67,;30.73,-30.43,;32.06,-29.66,;33.39,-30.43,;34.72,-29.66,;34.72,-28.12,;33.39,-27.35,;32.05,-28.12,;29.39,-28.12,;28.05,-27.36,;26.72,-28.14,)|
BDBM50444078 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ncccc1CN1CCOCC1 |r,wU:11.10,wD:14.14,(-4.24,-33.05,;-2.9,-32.28,;-1.57,-33.05,;-.23,-32.28,;1.11,-33.05,;2.44,-32.28,;3.78,-33.05,;5.12,-32.28,;5.11,-30.73,;3.78,-29.97,;3.77,-28.43,;2.43,-27.66,;1.11,-28.43,;-.24,-27.66,;-.24,-26.12,;-1.56,-25.35,;1.11,-25.35,;2.44,-26.12,;2.45,-30.74,;6.44,-29.96,;6.43,-28.42,;7.75,-27.65,;9.1,-28.41,;9.1,-29.95,;7.77,-30.73,;7.77,-32.27,;9.11,-33.03,;9.1,-34.57,;10.43,-35.34,;11.77,-34.58,;11.77,-33.03,;10.43,-32.26,)|
BDBM50444079 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wU:11.10,wD:14.14,(37.6,-21.62,;38.94,-20.85,;40.27,-21.62,;41.6,-20.85,;42.94,-21.62,;44.27,-20.86,;45.61,-21.63,;46.94,-20.85,;46.94,-19.3,;45.6,-18.54,;45.6,-17,;44.26,-16.23,;42.94,-17.01,;41.6,-16.23,;41.6,-14.69,;40.26,-13.92,;42.93,-13.92,;44.26,-14.69,;44.27,-19.31,;48.27,-18.53,;49.6,-19.3,;50.93,-18.53,;50.92,-16.98,;52.25,-16.21,;53.59,-16.97,;53.59,-18.51,;54.92,-19.27,;56.25,-18.5,;57.59,-19.27,;56.25,-16.96,;54.91,-16.19,;49.58,-16.22,;48.25,-17,)|
BDBM50444080 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)N1CCN(C)CC1 |r,wU:11.10,wD:14.14,(13.34,-23.32,;14.67,-22.55,;16,-23.32,;17.34,-22.56,;18.67,-23.33,;20.01,-22.56,;21.34,-23.33,;22.68,-22.56,;22.67,-21.01,;21.34,-20.24,;21.33,-18.7,;20,-17.94,;18.67,-18.71,;17.33,-17.93,;17.33,-16.39,;16,-15.62,;18.67,-15.62,;20,-16.39,;20.01,-21.01,;24,-20.23,;25.33,-21,;26.66,-20.23,;26.66,-18.69,;25.31,-17.92,;23.99,-18.7,;27.99,-17.91,;29.31,-18.68,;30.64,-17.91,;30.64,-16.37,;31.97,-15.6,;29.3,-15.6,;27.97,-16.37,)|
BDBM50444081 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(F)cn1 |r,wU:11.10,wD:14.14,(-.58,-23.28,;.77,-22.52,;2.11,-23.29,;3.44,-22.52,;4.77,-23.29,;6.11,-22.52,;7.44,-23.29,;8.78,-22.52,;8.77,-20.97,;7.44,-20.2,;7.43,-18.66,;6.1,-17.9,;4.77,-18.67,;3.44,-17.9,;3.43,-16.35,;2.1,-15.58,;4.77,-15.59,;6.1,-16.35,;6.11,-20.98,;10.11,-20.19,;11.44,-20.96,;12.77,-20.19,;12.76,-18.65,;14.09,-17.87,;11.42,-17.88,;10.09,-18.66,)|
BDBM50443366 CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
BDBM50444240 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:29.30,wD:32.34,(.04,-21.39,;1.37,-20.63,;2.71,-21.4,;4.04,-20.63,;5.37,-21.4,;6.71,-20.63,;8.04,-21.4,;9.38,-20.63,;9.37,-19.08,;10.7,-18.3,;10.7,-16.76,;12.04,-19.07,;13.37,-18.29,;14.71,-19.07,;16.03,-18.29,;16.03,-16.75,;14.68,-15.99,;13.36,-16.76,;17.36,-15.97,;16.58,-14.63,;18.13,-14.62,;18.7,-16.74,;18.69,-18.27,;20.02,-19.03,;21.36,-18.26,;21.35,-16.72,;20.01,-15.95,;8.04,-18.32,;8.03,-16.78,;6.7,-16.01,;5.36,-16.79,;4.03,-16.01,;4.03,-14.47,;2.69,-13.7,;5.36,-13.71,;6.69,-14.47,;6.71,-19.09,)|
BDBM50444241 CCCCNc1ncc(C(=O)NCc2ccc(cc2)-n2ccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(48.43,-9.69,;49.77,-8.92,;51.1,-9.69,;52.43,-8.92,;53.77,-9.69,;55.1,-8.93,;56.43,-9.7,;57.77,-8.92,;57.77,-7.37,;59.1,-6.6,;59.09,-5.06,;60.43,-7.36,;61.76,-6.59,;63.1,-7.35,;63.1,-8.89,;64.44,-9.66,;65.77,-8.88,;65.76,-7.33,;64.42,-6.58,;67.11,-9.64,;68.5,-9.01,;69.54,-10.15,;68.78,-11.49,;67.27,-11.18,;56.43,-6.61,;56.43,-5.07,;55.09,-4.3,;53.76,-5.08,;52.42,-4.31,;52.42,-2.77,;51.09,-2,;53.75,-2,;55.08,-2.77,;55.1,-7.38,)|
BDBM50444242 CCCCNc1ncc(C(=O)NCc2ccc(cc2)S(N)(=O)=O)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.25,wD:28.29,(24.27,-9.22,;25.6,-8.45,;26.93,-9.22,;28.27,-8.45,;29.6,-9.22,;30.94,-8.45,;32.27,-9.22,;33.61,-8.45,;33.6,-6.9,;34.93,-6.12,;34.93,-4.58,;36.27,-6.89,;37.6,-6.11,;38.94,-6.88,;38.94,-8.42,;40.27,-9.18,;41.6,-8.41,;41.59,-6.86,;40.26,-6.1,;42.94,-9.17,;44.27,-8.39,;43.7,-10.5,;42.17,-10.5,;32.27,-6.14,;32.26,-4.6,;30.93,-3.83,;29.59,-4.61,;28.25,-3.84,;28.25,-2.29,;26.92,-1.52,;29.59,-1.53,;30.92,-2.29,;30.94,-6.91,)|
BDBM50444243 CCCCNc1ncc(C(=O)NCc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(1.93,-9.16,;3.26,-8.39,;4.6,-9.16,;5.93,-8.39,;7.26,-9.17,;8.6,-8.4,;9.93,-9.17,;11.27,-8.4,;11.26,-6.85,;12.59,-6.07,;12.59,-4.53,;13.93,-6.84,;15.26,-6.06,;16.6,-6.83,;16.6,-8.36,;17.93,-9.13,;19.27,-8.35,;20.6,-9.12,;19.26,-6.8,;17.92,-6.05,;9.93,-6.08,;9.92,-4.54,;8.59,-3.78,;7.25,-4.56,;5.92,-3.78,;5.92,-2.24,;4.58,-1.47,;7.25,-1.47,;8.58,-2.24,;8.6,-6.85,)|
BDBM50444244 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(46.77,-58.29,;48.1,-57.52,;49.43,-58.29,;50.77,-57.52,;52.1,-58.3,;53.43,-57.53,;54.77,-58.3,;56.11,-57.53,;56.1,-55.98,;57.43,-55.2,;57.43,-53.66,;58.77,-55.97,;60.1,-55.19,;61.43,-55.96,;62.76,-55.19,;62.76,-53.65,;61.41,-52.88,;60.09,-53.66,;64.09,-52.87,;64.85,-51.53,;63.31,-51.54,;65.42,-53.63,;65.42,-55.17,;66.75,-55.93,;68.08,-55.16,;68.08,-53.62,;66.74,-52.85,;54.76,-55.21,;54.76,-53.67,;53.42,-52.91,;52.09,-53.69,;50.75,-52.91,;50.75,-51.37,;49.42,-50.6,;52.09,-50.6,;53.42,-51.37,;53.44,-55.98,)|
BDBM50444245 CCCCNc1ncc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(21.61,-58.16,;22.95,-57.39,;24.28,-58.16,;25.61,-57.39,;26.95,-58.16,;28.28,-57.39,;29.62,-58.16,;30.95,-57.39,;30.95,-55.84,;32.28,-55.07,;32.27,-53.53,;33.61,-55.83,;34.95,-55.06,;36.28,-55.83,;37.61,-55.06,;37.6,-53.51,;38.93,-52.74,;40.27,-53.5,;40.27,-55.03,;41.6,-55.8,;42.93,-55.03,;42.93,-53.49,;41.59,-52.71,;36.26,-52.75,;34.93,-53.53,;29.61,-55.08,;29.61,-53.54,;28.27,-52.77,;26.94,-53.55,;25.6,-52.78,;25.6,-51.24,;24.27,-50.47,;26.94,-50.47,;28.26,-51.23,;28.28,-55.85,)|
BDBM50444246 CCCCNc1ncc(C(=O)Nc2ccc(cc2)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(-.47,-58.49,;.87,-57.72,;2.21,-58.49,;3.54,-57.72,;4.87,-58.49,;6.21,-57.72,;7.54,-58.49,;8.88,-57.72,;8.87,-56.17,;10.21,-55.4,;10.2,-53.86,;11.54,-56.16,;12.87,-55.39,;14.21,-56.16,;15.54,-55.38,;15.53,-53.84,;14.18,-53.08,;12.86,-53.86,;16.86,-53.07,;18.19,-53.83,;19.52,-53.06,;19.52,-51.52,;18.18,-50.75,;16.84,-51.53,;7.54,-55.41,;7.53,-53.87,;6.2,-53.1,;4.86,-53.88,;3.53,-53.11,;3.53,-51.57,;2.19,-50.8,;4.86,-50.8,;6.19,-51.56,;6.21,-56.18,)|
BDBM50444247 CCCCNc1ncc(C(=O)Nc2ccccc2OC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(54.22,-47.24,;55.55,-46.47,;56.88,-47.24,;58.22,-46.47,;59.55,-47.24,;60.88,-46.47,;62.22,-47.25,;63.56,-46.47,;63.55,-44.92,;64.88,-44.15,;64.88,-42.61,;66.22,-44.91,;67.55,-44.14,;67.54,-42.61,;68.86,-41.83,;70.21,-42.59,;70.21,-44.14,;68.88,-44.91,;68.88,-46.45,;70.22,-47.22,;62.22,-44.16,;62.21,-42.62,;60.87,-41.85,;59.54,-42.63,;58.2,-41.86,;58.2,-40.32,;56.87,-39.55,;59.54,-39.55,;60.87,-40.32,;60.89,-44.93,)|
BDBM50444248 CCCCNc1ncc(C(=O)Nc2cccc(OC)c2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(37.13,-46.79,;38.46,-46.02,;39.8,-46.79,;41.13,-46.02,;42.46,-46.79,;43.8,-46.02,;45.13,-46.79,;46.47,-46.02,;46.46,-44.47,;47.79,-43.7,;47.79,-42.16,;49.13,-44.46,;50.46,-43.69,;50.45,-42.16,;51.77,-41.38,;53.12,-42.14,;53.12,-43.68,;54.46,-44.45,;55.79,-43.68,;51.79,-44.46,;45.13,-43.71,;45.12,-42.17,;43.79,-41.4,;42.45,-42.18,;41.12,-41.41,;41.12,-39.87,;39.78,-39.1,;42.45,-39.1,;43.78,-39.86,;43.8,-44.48,)|
BDBM50444249 CCCCNc1ncc(C(=O)Nc2ccc(OC)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:22.22,wD:25.26,(20.21,-47.13,;21.55,-46.36,;22.88,-47.13,;24.21,-46.36,;25.55,-47.13,;26.88,-46.37,;28.22,-47.14,;29.55,-46.36,;29.55,-44.81,;30.88,-44.04,;30.87,-42.5,;32.22,-44.8,;33.55,-44.03,;34.88,-44.8,;36.21,-44.03,;36.2,-42.49,;37.53,-41.71,;38.87,-42.47,;34.86,-41.72,;33.53,-42.5,;28.21,-44.05,;28.21,-42.51,;26.87,-41.74,;25.54,-42.52,;24.2,-41.75,;24.2,-40.21,;22.87,-39.44,;25.54,-39.44,;26.86,-40.21,;26.88,-44.82,)|
BDBM50444250 CCCCNc1ncc(C(=O)Nc2ccc(cc2)C(F)(F)F)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:24.24,wD:27.28,(1.92,-47.36,;3.25,-46.59,;4.59,-47.36,;5.92,-46.59,;7.26,-47.36,;8.59,-46.59,;9.92,-47.36,;11.26,-46.59,;11.26,-45.04,;12.59,-44.27,;12.58,-42.73,;13.92,-45.03,;15.25,-44.26,;16.59,-45.03,;17.92,-44.26,;17.91,-42.71,;16.57,-41.95,;15.24,-42.73,;19.24,-41.94,;20.58,-42.7,;19.23,-40.4,;20.57,-41.15,;9.92,-44.28,;9.92,-42.74,;8.58,-41.97,;7.25,-42.75,;5.91,-41.98,;5.91,-40.44,;4.57,-39.67,;7.24,-39.67,;8.57,-40.43,;8.59,-45.05,)|
BDBM50444251 CCCCNc1ncc(C(=O)NC2CCCCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(54.57,-35.57,;55.9,-34.8,;57.23,-35.58,;58.57,-34.81,;59.9,-35.58,;61.23,-34.81,;62.57,-35.58,;63.91,-34.81,;63.9,-33.26,;65.23,-32.48,;65.23,-30.94,;66.57,-33.25,;67.9,-32.47,;69.23,-33.24,;70.56,-32.47,;70.56,-30.93,;69.23,-30.16,;67.89,-30.94,;62.57,-32.49,;62.56,-30.95,;61.22,-30.19,;59.89,-30.97,;58.55,-30.19,;58.55,-28.65,;57.22,-27.88,;59.89,-27.88,;61.22,-28.65,;61.24,-33.26,)|
BDBM50444252 CCCCNc1ncc(C(=O)NC2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(39.42,-35.6,;40.75,-34.83,;42.08,-35.6,;43.42,-34.83,;44.75,-35.6,;46.08,-34.83,;47.42,-35.6,;48.76,-34.83,;48.75,-33.28,;50.08,-32.51,;50.08,-30.97,;51.42,-33.27,;52.75,-32.5,;54.08,-33.27,;55.41,-32.5,;55.41,-30.96,;54.07,-30.19,;52.74,-30.96,;47.41,-32.52,;47.41,-30.98,;46.07,-30.21,;44.74,-30.99,;43.4,-30.22,;43.4,-28.67,;42.07,-27.9,;44.74,-27.91,;46.07,-28.67,;46.09,-33.29,)|
BDBM50444253 CCCCNc1ncc(C(=O)NC2CCN(CC2)c2ncccn2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(19.76,-36.09,;21.1,-35.32,;22.43,-36.09,;23.76,-35.32,;25.1,-36.09,;26.43,-35.32,;27.76,-36.09,;29.1,-35.32,;29.1,-33.77,;30.43,-33,;30.42,-31.46,;31.76,-33.76,;33.09,-32.99,;34.43,-33.76,;35.76,-32.99,;35.76,-31.45,;34.42,-30.68,;33.08,-31.45,;37.09,-30.68,;38.42,-31.45,;39.75,-30.68,;39.75,-29.14,;38.41,-28.37,;37.08,-29.14,;27.76,-33.01,;27.76,-31.47,;26.42,-30.7,;25.09,-31.48,;23.75,-30.71,;23.75,-29.16,;22.42,-28.39,;25.08,-28.4,;26.41,-29.16,;26.43,-33.78,)|
BDBM50444254 CCCCNc1ncc(C(=O)NC2CCN(CC2)C(C)C)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.23,wD:26.27,(.87,-34.95,;2.2,-34.18,;3.54,-34.95,;4.87,-34.19,;6.21,-34.96,;7.54,-34.19,;8.87,-34.96,;10.21,-34.19,;10.21,-32.64,;11.54,-31.86,;11.53,-30.32,;12.87,-32.63,;14.2,-31.85,;15.54,-32.62,;16.86,-31.85,;16.87,-30.31,;15.53,-29.54,;14.19,-30.31,;18.2,-29.54,;19.53,-30.31,;18.2,-28,;8.87,-31.87,;8.87,-30.33,;7.53,-29.57,;6.2,-30.35,;4.86,-29.57,;4.86,-28.03,;3.52,-27.26,;6.19,-27.26,;7.52,-28.03,;7.54,-32.64,)|
BDBM50444255 CCCCNc1ncc(C(=O)N2CCC(N)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(54.73,-23.53,;56.06,-22.76,;57.39,-23.53,;58.73,-22.76,;60.06,-23.53,;61.4,-22.76,;62.73,-23.53,;64.07,-22.76,;64.06,-21.21,;65.39,-20.43,;65.39,-18.89,;66.73,-21.2,;66.73,-22.73,;68.06,-23.5,;69.39,-22.73,;70.73,-23.5,;69.39,-21.19,;68.05,-20.42,;62.73,-20.45,;62.72,-18.91,;61.39,-18.14,;60.05,-18.92,;58.72,-18.15,;58.71,-16.6,;57.38,-15.83,;60.05,-15.84,;61.38,-16.6,;61.4,-21.22,)|
BDBM50444256 CCCCNc1ncc(C(=O)NC2CCNCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:20.20,wD:23.24,(37.14,-23.53,;38.48,-22.76,;39.81,-23.53,;41.15,-22.76,;42.48,-23.53,;43.81,-22.76,;45.15,-23.53,;46.48,-22.76,;46.48,-21.21,;47.81,-20.43,;47.8,-18.9,;49.15,-21.2,;50.48,-20.42,;51.81,-21.2,;53.14,-20.43,;53.14,-18.89,;51.8,-18.12,;50.47,-18.89,;45.14,-20.45,;45.14,-18.91,;43.8,-18.14,;42.47,-18.92,;41.13,-18.15,;41.13,-16.6,;39.8,-15.83,;42.47,-15.84,;43.8,-16.6,;43.82,-21.22,)|
BDBM50444257 CCCCNc1ncc(C(=O)N(C)CCCC)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:19.18,wD:22.22,(20.52,-24.04,;21.85,-23.27,;23.18,-24.04,;24.52,-23.27,;25.85,-24.04,;27.19,-23.28,;28.52,-24.05,;29.86,-23.27,;29.85,-21.72,;31.18,-20.95,;31.18,-19.41,;32.52,-21.71,;32.53,-23.25,;33.85,-20.94,;35.19,-21.7,;36.52,-20.93,;37.85,-21.69,;28.52,-20.96,;28.51,-19.42,;27.18,-18.65,;25.84,-19.43,;24.51,-18.66,;24.5,-17.12,;23.17,-16.35,;25.84,-16.35,;27.17,-17.12,;27.19,-21.73,)|
BDBM50444258 CCCCNC(=O)c1cnc(NCCCC)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:19.19,wD:22.23,(18.97,-21.28,;17.63,-20.52,;16.3,-21.29,;14.97,-20.53,;13.64,-21.3,;12.3,-20.54,;12.29,-19,;10.97,-21.31,;10.97,-22.86,;9.64,-23.63,;8.3,-22.86,;6.97,-23.63,;5.63,-22.86,;4.3,-23.63,;2.97,-22.86,;1.63,-23.63,;8.3,-21.32,;9.63,-20.55,;9.63,-19.01,;8.29,-18.24,;6.96,-19.02,;5.62,-18.25,;5.62,-16.71,;4.29,-15.93,;6.96,-15.94,;8.28,-16.7,)|
BDBM50444259 CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(54.17,-10.17,;55.5,-9.4,;56.83,-10.17,;58.17,-9.41,;59.5,-10.18,;60.83,-9.41,;62.17,-10.18,;63.51,-9.41,;63.5,-7.86,;64.83,-7.08,;66.17,-7.85,;66.17,-9.39,;67.5,-7.07,;68.83,-7.84,;70.16,-7.07,;70.16,-5.53,;71.49,-4.75,;68.81,-4.76,;67.49,-5.54,;62.17,-7.09,;62.16,-5.55,;60.82,-4.79,;59.5,-5.57,;58.16,-4.79,;58.16,-3.25,;56.83,-2.48,;59.5,-2.48,;60.82,-3.25,;60.84,-7.86,)|
BDBM50444260 CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:21.21,wD:24.25,(35.28,-9.93,;36.61,-9.16,;37.95,-9.93,;39.28,-9.16,;40.61,-9.93,;41.95,-9.17,;43.28,-9.94,;44.62,-9.17,;44.61,-7.61,;45.94,-6.84,;45.94,-5.3,;47.28,-7.6,;48.61,-6.83,;49.94,-7.6,;51.27,-6.83,;51.27,-5.29,;52.6,-4.51,;49.92,-4.52,;48.6,-5.3,;43.28,-6.85,;43.27,-5.31,;41.94,-4.55,;40.6,-5.33,;39.27,-4.55,;39.26,-3.01,;37.93,-2.24,;40.6,-2.24,;41.93,-3.01,;41.95,-7.62,)|
BDBM50444261 CCCCNc1ncc(NC(=O)c2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(18,-11.88,;19.34,-11.11,;20.67,-11.89,;22.01,-11.12,;23.34,-11.89,;24.67,-11.12,;26.01,-11.89,;27.35,-11.12,;27.34,-9.57,;28.67,-8.79,;30.01,-9.56,;30.01,-11.1,;31.34,-8.78,;32.67,-9.55,;34,-8.78,;34,-7.24,;35.33,-6.46,;32.65,-6.47,;31.33,-7.25,;26,-8.8,;26,-7.26,;24.66,-6.5,;24.66,-4.96,;23.33,-4.2,;23.33,-2.65,;24.67,-1.88,;24.67,-.34,;26,-2.65,;26,-4.19,;24.68,-9.57,)|
BDBM50444262 CCCCNc1ncc(C(=O)Nc2ccc(F)cc2)c(NC[C@H]2CC[C@H](N)CC2)n1 |r,wU:22.22,wD:25.26,(.7,-12.07,;2.03,-11.3,;3.37,-12.07,;4.7,-11.3,;6.03,-12.07,;7.37,-11.31,;8.7,-12.08,;10.04,-11.3,;10.03,-9.75,;11.37,-8.98,;11.36,-7.44,;12.7,-9.74,;14.03,-8.97,;15.37,-9.74,;16.7,-8.97,;16.69,-7.43,;18.02,-6.65,;15.35,-6.66,;14.02,-7.44,;8.7,-8.99,;8.69,-7.45,;7.36,-6.68,;7.35,-5.14,;6.02,-4.38,;6.02,-2.83,;7.36,-2.06,;7.36,-.52,;8.69,-2.83,;8.69,-4.37,;7.37,-9.76,)|
BDBM50444083 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(F)cc1 |r,wU:11.10,wD:14.14,(47.19,-12.18,;48.53,-11.41,;49.86,-12.18,;51.2,-11.41,;52.53,-12.18,;53.86,-11.41,;55.2,-12.19,;56.54,-11.41,;56.53,-9.86,;55.19,-9.1,;55.19,-7.56,;53.85,-6.79,;52.53,-7.56,;51.19,-6.79,;51.19,-5.25,;49.86,-4.48,;52.53,-4.48,;53.85,-5.25,;53.87,-9.87,;57.86,-9.09,;59.19,-9.86,;60.52,-9.08,;60.52,-7.54,;61.85,-6.77,;59.17,-6.78,;57.85,-7.56,)|
BDBM50444084 CCCCNc1ncc(-c2cccnc2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:17.17,wD:20.21,(31.69,-11.71,;33.03,-10.94,;34.36,-11.71,;35.7,-10.95,;37.03,-11.72,;38.36,-10.95,;39.7,-11.72,;41.04,-10.95,;41.03,-9.4,;42.36,-8.62,;43.69,-9.39,;45.02,-8.62,;45.02,-7.08,;43.67,-6.31,;42.35,-7.09,;39.69,-8.63,;39.69,-7.09,;38.35,-6.33,;37.03,-7.1,;35.69,-6.32,;35.69,-4.78,;34.36,-4.01,;37.03,-4.01,;38.35,-4.78,;38.37,-9.4,)|
BDBM50444085 CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(15.34,-10.98,;16.67,-10.21,;18,-10.98,;19.34,-10.21,;20.67,-10.98,;22,-10.22,;23.34,-10.99,;24.68,-10.21,;24.67,-8.66,;23.33,-7.9,;23.33,-6.36,;21.99,-5.59,;20.67,-6.37,;19.33,-5.59,;19.33,-4.05,;18,-3.28,;20.67,-3.28,;21.99,-4.05,;22.01,-8.67,;26,-7.89,;27.33,-8.66,;28.66,-7.89,;28.66,-6.34,;27.31,-5.58,;25.99,-6.36,)|
BDBM50444263 O[C@H]1CC[C@@H](CC1)Nc1nc(ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCOCC1 |r,wU:4.7,wD:1.0,(27.91,-50.35,;29.24,-51.12,;29.24,-52.66,;30.58,-53.43,;31.91,-52.66,;31.91,-51.12,;30.58,-50.35,;33.24,-53.43,;33.25,-54.97,;31.92,-55.74,;31.92,-57.28,;33.25,-58.05,;34.59,-57.28,;34.58,-55.73,;35.91,-54.96,;35.91,-53.42,;37.25,-55.72,;38.58,-54.95,;39.91,-55.72,;41.24,-54.94,;41.24,-53.4,;39.89,-52.64,;38.57,-53.42,;42.56,-52.62,;41.79,-51.28,;43.33,-51.28,;43.9,-53.39,;43.9,-54.92,;45.23,-55.68,;46.56,-54.91,;46.56,-53.37,;45.22,-52.6,;30.58,-58.05,;29.26,-57.27,;27.93,-58.03,;27.92,-59.57,;29.25,-60.35,;30.59,-59.58,)|
BDBM50444264 CN(C)c1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(5.16,-56.77,;6.49,-57.54,;6.49,-59.08,;7.82,-56.77,;9.16,-57.54,;10.5,-56.77,;10.49,-55.22,;11.82,-54.45,;11.81,-52.91,;13.16,-55.21,;14.49,-54.44,;15.82,-55.21,;17.15,-54.43,;17.14,-52.89,;15.8,-52.13,;14.48,-52.91,;18.47,-52.11,;17.7,-50.77,;19.24,-50.77,;19.81,-52.88,;19.81,-54.41,;21.14,-55.17,;22.47,-54.4,;22.47,-52.86,;21.13,-52.09,;9.16,-54.46,;9.15,-52.92,;7.82,-52.15,;6.49,-52.92,;5.15,-52.15,;5.15,-50.61,;3.82,-49.84,;6.49,-49.84,;7.82,-50.61,;7.83,-55.23,)|
BDBM50444265 O[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(F)cc2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(51.68,-38.67,;53.01,-39.44,;53.01,-40.98,;54.35,-41.76,;55.67,-40.99,;55.67,-39.44,;54.35,-38.68,;57.01,-41.75,;57.01,-43.29,;55.69,-44.06,;55.68,-45.61,;54.35,-46.38,;53.02,-45.61,;51.68,-46.37,;50.36,-45.59,;49.03,-46.36,;49.02,-47.9,;47.68,-48.66,;50.35,-48.67,;51.69,-47.91,;57.02,-46.38,;58.35,-45.61,;58.35,-44.06,;59.68,-43.28,;59.67,-41.74,;61.02,-44.05,;62.35,-43.27,;63.68,-44.04,;65.01,-43.27,;65,-41.73,;63.66,-40.96,;62.33,-41.74,;66.33,-40.95,;65.56,-39.61,;67.1,-39.6,;67.67,-41.71,;67.67,-43.25,;69,-44.01,;70.33,-43.24,;70.33,-41.7,;68.99,-40.93,)|
BDBM50444266 O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCOCC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(27.5,-38.82,;28.84,-39.59,;28.84,-41.13,;30.17,-41.9,;31.5,-41.13,;31.5,-39.58,;30.17,-38.82,;32.84,-41.9,;32.84,-43.44,;31.51,-44.21,;31.51,-45.75,;30.18,-46.52,;28.84,-45.75,;28.85,-44.21,;27.53,-43.44,;26.19,-44.2,;26.18,-45.74,;27.52,-46.52,;32.84,-46.52,;34.18,-45.75,;34.18,-44.2,;35.51,-43.43,;35.5,-41.89,;36.84,-44.19,;38.17,-43.42,;39.51,-44.19,;40.84,-43.41,;40.83,-41.87,;39.49,-41.11,;38.16,-41.89,;42.16,-41.09,;41.38,-39.75,;42.93,-39.75,;43.5,-41.86,;43.5,-43.39,;44.83,-44.16,;46.16,-43.38,;46.16,-41.84,;44.82,-41.07,)|
BDBM50444267 O[C@H]1CC[C@@H](CC1)Nc1nc(NC2CCCCC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(3.66,-38.22,;4.99,-38.99,;4.99,-40.53,;6.33,-41.3,;7.65,-40.53,;7.65,-38.99,;6.32,-38.22,;8.99,-41.3,;8.99,-42.84,;7.66,-43.61,;7.66,-45.15,;6.33,-45.92,;4.99,-45.15,;4.99,-43.61,;3.67,-42.84,;2.33,-43.6,;2.33,-45.14,;3.66,-45.92,;8.99,-45.92,;10.33,-45.15,;10.33,-43.6,;11.66,-42.83,;11.65,-41.29,;12.99,-43.59,;14.32,-42.82,;15.66,-43.59,;16.99,-42.81,;16.98,-41.27,;15.63,-40.51,;14.31,-41.29,;18.31,-40.49,;17.53,-39.15,;19.08,-39.15,;19.65,-41.26,;19.64,-42.79,;20.97,-43.56,;22.31,-42.79,;22.3,-41.24,;20.96,-40.47,)|
BDBM50444268 CC(C)Nc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(51.96,-34.69,;53.29,-33.92,;53.29,-32.38,;54.62,-34.69,;55.96,-33.92,;57.29,-34.69,;58.63,-33.92,;58.62,-32.37,;59.95,-31.59,;59.95,-30.05,;61.29,-32.36,;62.62,-31.58,;63.95,-32.35,;65.28,-31.58,;65.28,-30.04,;63.93,-29.28,;62.61,-30.05,;66.61,-29.26,;65.83,-27.92,;67.38,-27.91,;67.95,-30.03,;67.94,-31.56,;69.27,-32.32,;70.61,-31.55,;70.6,-30.01,;69.26,-29.24,;57.29,-31.6,;57.28,-30.07,;55.95,-29.3,;54.62,-30.07,;53.29,-29.3,;53.28,-27.75,;51.95,-26.98,;54.62,-26.99,;55.95,-27.75,;55.96,-32.38,)|
BDBM50444269 OCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:29.30,wD:32.34,(24.63,-35.11,;25.96,-34.34,;27.3,-35.11,;28.63,-34.34,;29.96,-35.12,;31.3,-34.35,;32.63,-35.12,;33.97,-34.35,;33.96,-32.8,;35.29,-32.02,;35.29,-30.48,;36.63,-32.79,;37.96,-32.01,;39.29,-32.78,;40.62,-32.01,;40.62,-30.47,;39.27,-29.7,;37.95,-30.48,;41.95,-29.68,;41.17,-28.35,;42.72,-28.34,;43.28,-30.45,;43.28,-31.99,;44.61,-32.75,;45.94,-31.98,;45.94,-30.44,;44.6,-29.67,;32.63,-32.03,;32.62,-30.49,;31.29,-29.73,;29.96,-30.5,;28.62,-29.72,;28.62,-28.18,;27.29,-27.41,;29.96,-27.41,;31.29,-28.18,;31.3,-32.8,)|
BDBM50444270 O[C@H]1CC[C@@H](CC1)Nc1nc(NCCCC(F)(F)F)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(4.09,-26.59,;5.43,-27.36,;5.43,-28.9,;6.76,-29.68,;8.09,-28.9,;8.09,-27.36,;6.76,-26.59,;9.43,-29.67,;9.43,-31.21,;8.1,-31.98,;8.1,-33.53,;6.76,-34.29,;5.43,-33.52,;4.1,-34.29,;2.76,-33.52,;1.43,-34.29,;.1,-33.52,;1.43,-35.83,;.09,-35.05,;9.43,-34.3,;10.77,-33.52,;10.77,-31.97,;12.1,-31.2,;12.09,-29.66,;13.43,-31.96,;14.76,-31.19,;16.1,-31.96,;17.43,-31.19,;17.42,-29.64,;16.08,-28.88,;14.75,-29.66,;18.75,-28.86,;17.97,-27.52,;19.52,-27.52,;20.09,-29.63,;20.08,-31.17,;21.41,-31.93,;22.75,-31.16,;22.74,-29.62,;21.41,-28.84,)|
BDBM50444271 O[C@H]1CC[C@@H](CC1)Nc1nc(NCCC2CC2)ncc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:4.7,wD:1.0,(51.32,-15.73,;52.65,-16.5,;52.65,-18.04,;53.99,-18.82,;55.31,-18.05,;55.31,-16.5,;53.98,-15.73,;56.65,-18.81,;56.65,-20.35,;55.32,-21.12,;55.32,-22.67,;53.99,-23.44,;52.65,-22.66,;51.32,-23.43,;49.99,-22.66,;49.22,-21.33,;48.45,-22.66,;56.66,-23.44,;57.99,-22.67,;57.99,-21.12,;59.32,-20.34,;59.31,-18.8,;60.65,-21.11,;61.99,-20.33,;63.32,-21.1,;64.65,-20.33,;64.64,-18.79,;63.3,-18.02,;61.97,-18.8,;65.97,-18,;65.2,-16.67,;66.74,-16.66,;67.31,-18.77,;67.31,-20.31,;68.64,-21.07,;69.97,-20.3,;69.97,-18.76,;68.63,-17.99,)|
BDBM50444272 CCCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:30.31,wD:33.35,(23.85,-22.37,;25.18,-23.14,;26.52,-22.37,;27.85,-23.14,;29.18,-22.37,;30.52,-23.14,;31.85,-22.37,;33.19,-23.14,;34.52,-22.37,;34.52,-20.82,;35.85,-20.05,;35.84,-18.51,;37.18,-20.81,;38.52,-20.04,;39.85,-20.81,;41.18,-20.03,;41.17,-18.49,;39.83,-17.73,;38.5,-18.51,;42.5,-17.71,;41.73,-16.37,;43.27,-16.37,;43.84,-18.48,;43.84,-20.01,;45.17,-20.78,;46.5,-20.01,;46.5,-18.46,;45.16,-17.69,;33.18,-20.06,;33.18,-18.52,;31.84,-17.75,;30.52,-18.52,;29.18,-17.75,;29.18,-16.21,;27.84,-15.44,;30.51,-15.44,;31.84,-16.2,;31.85,-20.83,)|
BDBM50444273 CCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:28.29,wD:31.33,(2.34,-21.85,;3.67,-22.62,;5,-21.85,;6.34,-22.62,;7.67,-21.85,;9.01,-22.62,;10.34,-21.85,;10.34,-20.3,;11.67,-19.52,;11.66,-17.98,;13,-20.29,;14.34,-19.51,;15.67,-20.29,;17,-19.51,;16.99,-17.97,;15.65,-17.21,;14.32,-17.98,;18.32,-17.19,;17.55,-15.85,;19.09,-15.85,;19.66,-17.96,;19.66,-19.49,;20.99,-20.25,;22.32,-19.48,;22.32,-17.94,;20.98,-17.17,;9,-19.54,;9,-18,;7.66,-17.23,;6.34,-18,;5,-17.23,;5,-15.69,;3.67,-14.91,;6.33,-14.92,;7.66,-15.68,;7.67,-20.31,)|
BDBM50444274 CCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:27.28,wD:30.32,(50.31,-10.83,;51.65,-10.06,;52.98,-10.83,;54.31,-10.06,;55.65,-10.83,;56.98,-10.06,;56.98,-8.51,;58.31,-7.73,;58.3,-6.19,;59.65,-8.5,;60.98,-7.72,;62.31,-8.5,;63.64,-7.72,;63.64,-6.18,;62.29,-5.42,;60.97,-6.19,;64.96,-5.4,;64.19,-4.06,;65.73,-4.06,;66.3,-6.17,;66.3,-7.7,;67.63,-8.46,;68.96,-7.69,;68.96,-6.15,;67.62,-5.38,;55.64,-7.75,;55.64,-6.21,;54.3,-5.44,;52.98,-6.21,;51.64,-5.44,;51.64,-3.89,;50.31,-3.12,;52.98,-3.13,;54.3,-3.89,;54.31,-8.52,)|
BDBM50444275 CNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:26.27,wD:29.31,(28.37,-10.25,;29.71,-11.02,;31.04,-10.25,;32.37,-11.02,;33.71,-10.25,;33.7,-8.7,;35.04,-7.93,;35.03,-6.39,;36.37,-8.69,;37.7,-7.92,;39.03,-8.69,;40.36,-7.91,;40.36,-6.37,;39.01,-5.61,;37.69,-6.39,;41.69,-5.59,;40.91,-4.25,;42.46,-4.25,;43.02,-6.36,;43.02,-7.89,;44.35,-8.66,;45.68,-7.89,;45.68,-6.34,;44.34,-5.57,;32.37,-7.94,;32.37,-6.4,;31.03,-5.63,;29.7,-6.4,;28.37,-5.63,;28.37,-4.09,;27.03,-3.32,;29.7,-3.32,;31.03,-4.09,;31.04,-8.71,)|
BDBM50444276 Nc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.26,wD:28.30,(5.87,-10.2,;7.2,-9.43,;8.54,-10.21,;9.87,-9.43,;9.87,-7.88,;11.2,-7.11,;11.19,-5.57,;12.53,-7.87,;13.86,-7.1,;15.2,-7.87,;16.53,-7.1,;16.52,-5.56,;15.18,-4.79,;13.85,-5.57,;17.85,-4.77,;17.07,-3.44,;18.62,-3.43,;19.19,-5.54,;19.18,-7.08,;20.51,-7.84,;21.85,-7.07,;21.84,-5.53,;20.5,-4.76,;8.53,-7.12,;8.53,-5.58,;7.19,-4.82,;5.87,-5.59,;4.53,-4.81,;4.53,-3.27,;3.2,-2.5,;5.87,-2.5,;7.19,-3.27,;7.2,-7.89,)|
BDBM50444277 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(n1)N1CCOCC1
BDBM50444278 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCOCC2)n1
BDBM50444279 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCc2ccncc2)n1
BDBM50444280 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CCNC2)n1 |r|
BDBM50444281 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@@H]2CCNC2)n1 |r|
BDBM50444282 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCNCC2)n1
BDBM50444283 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC[C@@H]2CCCNC2)n1 |r|
BDBM50444284 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NCC2CCNCC2)n1
BDBM50444285 CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(NC2CCCCC2)n1
BDBM50445471 COCc1c(C)c(O)c(O)c(O)c1C=O
BDBM50445472 COC1OC(=O)c2c1c(C)c(O)c(O)c2O
BDBM50445473 Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O |r|
BDBM50445474 Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O
BDBM50445475 Cc1c2COC(=O)c2c(O)c(O)c1O
BDBM50446564 COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1 |r,c:24|
BDBM50446565 COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,c:25|
BDBM50446566 CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,w:5.5,c:26|
BDBM50020310 CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
BDBM50021574 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
BDBM144315 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
BDBM50055490 CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |r,wU:15.15,wD:18.19,(49.98,-3.61,;48.47,-3.91,;47.97,-5.37,;46.47,-5.67,;45.46,-4.51,;43.95,-4.8,;43.47,-6.27,;44.49,-7.42,;44.02,-8.88,;42.51,-9.2,;41.48,-8.06,;41.96,-6.59,;42.03,-10.66,;42.94,-11.92,;42.03,-13.17,;42.5,-14.64,;44.01,-14.96,;44.48,-16.43,;43.45,-17.57,;43.92,-19.04,;41.94,-17.24,;41.47,-15.79,;40.55,-12.69,;39.22,-13.46,;37.89,-12.69,;36.55,-13.46,;35.22,-12.69,;33.89,-13.46,;32.55,-12.69,;31.79,-11.36,;31.02,-12.69,;37.89,-11.15,;39.22,-10.38,;40.55,-11.14,;45.94,-3.05,;47.46,-2.75,)|
BDBM180273 COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCC(C)(C)O
BDBM180278 Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)cc2)c(=O)n(-c2ccccc2)n1C
BDBM180270 Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
BDBM50044303 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50086441 CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50055496 CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
BDBM50055497 CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)c(F)c1 |r,wU:17.17,wD:20.21,(16.24,-.82,;14.73,-1.12,;14.23,-2.57,;12.73,-2.87,;11.72,-1.71,;12.2,-.26,;13.72,.04,;10.21,-2.01,;8.72,-1.61,;9.81,-.52,;9.73,-3.48,;10.75,-4.63,;10.28,-6.08,;8.77,-6.4,;8.29,-7.87,;9.2,-9.12,;8.29,-10.37,;8.77,-11.84,;10.27,-12.16,;10.74,-13.63,;9.71,-14.77,;10.18,-16.24,;8.2,-14.44,;7.73,-12.99,;6.82,-9.89,;5.48,-10.66,;4.15,-9.89,;2.82,-10.66,;1.49,-9.89,;.15,-10.66,;-1.18,-9.89,;-1.95,-8.55,;-2.72,-9.89,;4.15,-8.35,;5.48,-7.58,;6.82,-8.34,;7.74,-5.26,;6.24,-5.58,;8.22,-3.8,)|
BDBM50076185 N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
BDBM50055498 CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(c(F)c1)S(=O)(=O)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(-3.17,-12.13,;-1.85,-11.36,;-.52,-12.13,;.83,-11.36,;2.16,-12.13,;3.49,-11.36,;3.49,-9.82,;4.82,-9.05,;6.15,-9.81,;7.63,-9.33,;8.54,-10.59,;7.63,-11.84,;8.11,-13.31,;9.61,-13.63,;10.08,-15.1,;9.05,-16.24,;9.52,-17.7,;7.54,-15.91,;7.07,-14.45,;6.16,-11.36,;4.82,-12.13,;8.11,-7.87,;9.62,-7.55,;10.09,-6.1,;9.07,-4.95,;7.56,-5.27,;6.54,-4.12,;7.08,-6.73,;9.55,-3.48,;8.06,-3.08,;9.15,-1.99,;11.06,-3.18,;12.07,-4.34,;13.57,-4.04,;14.07,-2.59,;15.58,-2.29,;13.05,-1.43,;11.54,-1.73,)|
BDBM50055499 CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,wU:12.11,wD:15.15,(-2.75,-7.06,;-1.43,-6.29,;-.1,-7.06,;1.25,-6.3,;2.58,-7.07,;3.91,-6.3,;3.91,-4.75,;5.24,-3.99,;6.57,-4.75,;8.05,-4.27,;8.96,-5.52,;8.05,-6.78,;8.53,-8.25,;10.03,-8.56,;10.5,-10.03,;9.47,-11.17,;9.94,-12.64,;7.96,-10.85,;7.49,-9.39,;6.57,-6.3,;5.24,-7.07,;8.53,-2.8,;10.04,-2.49,;10.51,-1.03,;9.49,.13,;7.98,-.2,;7.5,-1.67,;9.97,1.58,;8.48,1.99,;9.57,3.09,;11.48,1.89,;12.49,.74,;13.99,1.03,;14.49,2.48,;13.47,3.64,;11.96,3.35,)|
BDBM50079565 Fc1ccc2ccn(-c3ccc(=O)n(CCOc4ccnc5cc(OCCCN6CCOCC6)ccc45)n3)c2c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM191640 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCC(=O)NO
BDBM50091364 CNC(=O)c1ccc(cc1F)-c1cc(F)c2ncc(Cc3ccc4ncccc4c3)n2c1
BDBM50123803 CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50143216 Cn1cc(cn1)-c1cnc(Nc2cccc(Cn3nc(ccc3=O)-c3cnn(C)c3)c2)nc1
BDBM50146164 Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
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,)|
BDBM50165465 Fc1ccc(cc1)-c1cnc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50182493 CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50172077 Cc1c(C(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5ccccc5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
BDBM50172080 O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1
BDBM50172081 S=C(NCc1ccc2OCOc2c1)N1CCN(CC1)c1ncnc2c3ccccc3oc12
BDBM50172076 CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(CC#N)c3)c3c(C)c[nH]c3n2)cc1F
BDBM50172075 CCOc1cn(nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)-c1ccc(F)cc1C
BDBM50172078 Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
BDBM50172079 Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 |r|
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13