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182 SMILES Strings for NUAK family SNF1-like kinase 1

Compound NameSMILES String
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
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
BDBM6309 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
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
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
BDBM17051 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50576 COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
BDBM86615 CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1C
BDBM47167 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
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
BDBM50150778 Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
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
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50224883 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50243979 COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
BDBM50243980 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
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|
BDBM50243878 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
BDBM50244031 COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
BDBM50244032 COc1ccc(cc1)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:9|
BDBM50246776 CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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
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
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|
BDBM50375300 COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
BDBM50366114 CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
BDBM50383274 COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
BDBM50389154 COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM50428737 Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
BDBM50428738 Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
BDBM50441795 CC(C)n1c2-c3ccccc3C(=O)c2c2c(O)ccc(O)c12
BDBM50447512 CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1
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|
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,)|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50111572 O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50152595 N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)|
BDBM50192858 COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
BDBM50185140 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50208911 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
BDBM50248937 COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1
BDBM50248938 CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1
BDBM50248946 CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1
BDBM50276157 COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
BDBM50468574 CCS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
BDBM412675 COc1cc2c3cnc4[nH]ccc4c3n(CC3CCCCC3)c(=O)c2cc1OC
BDBM50469353 CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
BDBM50479261 [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
BDBM50479262 COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
BDBM50479263 Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
BDBM50479264 Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
BDBM50479265 COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
BDBM50479266 COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
BDBM50479267 Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
BDBM50480482 COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
BDBM50480483 COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
BDBM50480484 COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
BDBM50480485 COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
BDBM50505988 COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(F)c(F)c1)-c1nc(Nc2ccnn2C)ncc1C |r|
BDBM50505541 [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
BDBM50505542 [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
BDBM50511926 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
BDBM50524300 COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
BDBM50519662 CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
BDBM50536675 FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
BDBM50536678 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
BDBM50536679 Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
BDBM50536681 Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
BDBM50537742 C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
BDBM482158 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50553207 NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
BDBM50565310 C[C@@H](Nc1ccc2[nH]nc(\C=C\c3ccccn3)c2c1)c1cc(F)cc(F)c1 |r|
BDBM50585204 C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
BDBM50587671 CN1c2cc3ccccc3cc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12
BDBM50587681 CN(C)CCOc1ccc2c3c(ccc2c1)[nH]c1c(C)c[nH]c(=O)c31
BDBM50587682 CCS(=O)(=O)c1ccc(cc1)-c1cc(C(=O)NC2CCN(C)CC2)c(C)c2[nH]c3ncc(C)cc3c12
BDBM50587683 Cc1c[nH]c(=O)c2c1[nH]c1ccc3cc(OCCN4CCCCC4)ccc3c21
BDBM50585189 NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
BDBM50585191 NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
BDBM50587677 C[C@H]1CNC(=O)c2cnn3cc(N[C@H](C)c4cc(F)cc(O1)c4)cnc23 |r|
BDBM50587684 Fc1ccc(Cn2cnc3cc(Cl)c(Nc4cc([nH]n4)C4CC4)nc23)cc1
BDBM50587676 CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3cnn(c3)C3CCNCC3)ncc2Cl)c1
BDBM50587670 CN1c2ccccc2C(=O)N(C)c2c(C)nc(Nc3cnn(c3)C3CCNCC3)nc12
BDBM50587679 CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(ncc12)S(C)(=O)=O |r|
BDBM50587678 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCN(CC1)N1CCN(C)CC1
BDBM50587680 COCCN1CCN(CCn2ccc(Nc3ncc4-c5c(CC(C)c4n3)nn(C)c5-c3ccccc3)n2)CC1
BDBM50587672 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3cnn(c3)C3CCNCC3)nc12
BDBM50587673 CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc4CCC(=O)Nc4c3)nc12
BDBM50587674 CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3nc[nH]c3n2)cc1
BDBM50587675 CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2Cl)c1
BDBM50587669 CN1c2cc3ccccc3cc2C(=O)N(C)c2cnc(Nc3cnn(c3)C3CCNCC3)nc12
BDBM50598717 [H][C@]12OC[C@@H](Oc3nc(Nc4ccc(N(C)CCN(C)C)c(NC(=O)C=C)c4)ncc3Cl)[C@@]1([H])OC[C@H]2OC |r|
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1