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1170 SMILES Strings for MAP kinase-interacting serine/threonine-protein kinase 2

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM289124 O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
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|
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
BDBM31908 CC(CC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
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
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
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
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
BDBM289169 CO[C@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM31317 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2c1C
BDBM32187 CC(CC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
BDBM30632 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(N)=O
BDBM30651 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c2c1C
BDBM31334 CC(F)COc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM30630 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c2c1C
BDBM30636 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(N)=O
BDBM30650 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c12)C(N)=O
BDBM98032 CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O
BDBM98033 COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
BDBM98034 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C
BDBM98035 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1
BDBM98036 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM98038 Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1
BDBM98039 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O
BDBM98040 CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM98041 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O
BDBM30633 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(=O)NCCO
BDBM31092 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(=O)NCCO
BDBM30629 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12)C(=O)NCCO
BDBM30642 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM30634 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c2c1C
BDBM30639 COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM30635 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(=O)NCCO
BDBM30645 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM31312 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM30652 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(N)=O
BDBM30637 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c2c1C
BDBM30649 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c12)C(=O)NCCO
BDBM31205 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCO)c2c1C
BDBM30638 COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM181572 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCCF |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
BDBM168229 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
BDBM168346 COc1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM31304 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM289177 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=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
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
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
BDBM50273636 NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50307506 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
BDBM50307507 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
BDBM50307535 CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
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
BDBM50298223 Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12
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|
BDBM50326412 C1CC(CCN1)c1cc(n[nH]1)-c1ccncc1
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
BDBM50343559 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50335376 COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM289259 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
BDBM289239 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289264 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
BDBM289262 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM50379084 O[C@H]1CC\C=C\c2cc(O)cc(O)c2C(=O)OCC\C=C\[C@H]1O |r,t:4,20|
BDBM50379085 C[C@@H]1C\C=C\[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,11|
BDBM50379070 C[C@H]1CCC[C@@H](O)[C@@H](O)CCC(O)Cc2cc(O)cc(O)c2C(=O)O1 |r|
BDBM50379071 C[C@H]1CCC[C@@H](O)[C@@H](O)CCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r|
BDBM50379072 C[C@H]1C\C=C\[C@@H](O)[C@@H](O)CCC(O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3|
BDBM50379073 C[C@H]1CCC[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:11|
BDBM50379074 C[C@H]1CC=C[C@@H](O)[C@@H](O)CCC(Cc2cc(O)cc(O)c2C(=O)O1)N=O |r,w:3.2|
BDBM50379075 C[C@H]1C\C=C\[C@H]2OC(C)(C)O[C@H]2CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,15|
BDBM50379076 C[C@H]1CCC[C@@H](O)[C@@H](O)CCCCc2cc(O)cc(O)c2C(=O)O1 |r|
BDBM50379077 COc1cc(OC)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:11,19|
BDBM50379078 COc1cc(O)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O |r,t:10,18|
BDBM50379079 COc1cc(O)cc2\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC(=O)c12 |r,t:8,16|
BDBM50379080 COc1cc(O)cc2\C=C\CC[C@H](O)[C@H](O)CCC[C@H](C)OC(=O)c12 |r,t:8|
BDBM50379081 CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
BDBM50379082 C[C@H]1C\C=C\[C@@H](O)[C@@H](O)CCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3|
BDBM50379083 C[C@H]1C\C=C\CCCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:3,9|
BDBM50396041 CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
BDBM289166 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289198 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289176 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289170 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289242 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50436850 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50021618 CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
BDBM50021626 CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
BDBM181471 CCOC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM136222 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(=O)NCCN(C)C)c2c1C
BDBM136218 CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136247 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#CCN)c(C)c12
BDBM136250 CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136251 CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136252 CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136253 CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136146 CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136147 CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNC(=O)OC(C)(C)C)c2c1C
BDBM136148 CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136149 CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136150 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CN)c2c1C
BDBM136151 CC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136152 CC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM98037 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C
BDBM31308 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM30641 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136221 CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136217 CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
BDBM136254 CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136255 CC(CCNS(C)(=O)=O)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136256 COC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
BDBM136257 Cc1c(sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c12)C(=O)NCCCN1CCCC1
BDBM136258 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
BDBM136259 CN1CCC(CC1)NC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
BDBM136260 Cc1c(sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c12)C(=O)NCCO
BDBM136153 CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CN)c2c1C
BDBM136154 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNS(C)(=O)=O)c2c1C
BDBM136155 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNS(=O)(=O)C(C)C)c2c1C
BDBM136156 CC(CNS(C)(=O)=O)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136157 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNC(C)=O)c2c1C
BDBM136158 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CNC(=O)C(C)C)c2c1C
BDBM136159 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CN(C)C)c2c1C
BDBM30631 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC(F)(F)F)c2c1C
BDBM136261 CN(C)CC#CCNC(=O)c1sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c2c1C
BDBM136262 Cc1c(sc2ncnc(Nc3ccc(cc3OC(CF)CF)C#N)c12)C(=O)NCC#N
BDBM136263 CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C#N
BDBM136264 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(O)=O)c2c1C
BDBM136265 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(=O)NCCCN)c2c1C
BDBM136266 CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12)C(=O)NCCCN
BDBM136267 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C(=O)NCCN)c2c1C
BDBM136160 CC(CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136161 C[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 |r|
BDBM136162 C[C@@H](CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 |r|
BDBM136163 CC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136164 CC(CNCCC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136165 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCN)c2c1C
BDBM136166 CCC(CN)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
BDBM136268 CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12)C(=O)NCCN
BDBM136269 CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(C)(C)O
BDBM136272 CC(Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12)C#N
BDBM136273 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12)C(O)=O
BDBM136274 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(O)=O
BDBM136167 COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CN)c2c1C
BDBM136168 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCN)c2c1C
BDBM136169 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCNS(C)(=O)=O)c2c1C
BDBM136170 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCNC(C)=O)c2c1C
BDBM136171 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCNC(=O)C(C)C)c2c1C
BDBM136172 CCCCNC(=O)NCCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)OC)c(C)c12
BDBM136173 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CCN(C)C)c2c1C
BDBM136275 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(O)=O
BDBM136276 COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136277 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136278 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(O)=O
BDBM136279 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136280 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12)C(O)=O
BDBM136281 CC(F)COc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136282 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCC3CCN(C)C3)c(C)c12
BDBM136174 COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CCN)c2c1C
BDBM136175 CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136176 CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136177 CC(CCN)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136178 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CN)CN)c2c1C
BDBM136179 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CN)CNC(C)=O)c2c1C
BDBM136180 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CN)CNS(C)(=O)=O)c2c1C
BDBM136283 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
BDBM136284 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
BDBM136181 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)CC(C)(C)O)c2c1C
BDBM136182 CC(CC(C)(C)O)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136183 CC(CC(C)(C)O)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136184 CC(Oc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12)C(F)(F)F
BDBM136185 CC(Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(F)(F)F
BDBM136186 CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12)C(F)(F)F
BDBM136187 CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12)C(F)(F)F
BDBM136188 CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c2c1C
BDBM136189 CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#CCN(C)C)c(C)c12)C(F)(F)F
BDBM136190 CC(Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12)C(F)(F)F
BDBM136191 CCOCC(COCC)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136192 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
BDBM136193 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(O)=O
BDBM136194 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(N)=O
BDBM136195 CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
BDBM136196 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C |r|
BDBM136197 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
BDBM136198 CN(C)CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
BDBM136199 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)NCCO
BDBM136200 CN(C)CC#CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c2c1C
BDBM136201 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)NCCCN1CCCC1
BDBM136202 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)NS(C)(=O)=O
BDBM136203 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)C(=O)N[C@@H]1C[C@H]1N |r|
BDBM136204 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3CCOCC3)c2c1C
BDBM136205 CC(F)COc1ncccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM136206 CC(F)COc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136207 CC(F)COc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136208 COCC(C)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136209 COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136210 COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136211 Cc1c(sc2ncnc(Nc3cccnc3OCCO)c12)C(N)=O
BDBM136212 CN(C)CCCNC(=O)c1sc2ncnc(Nc3cccnc3OCCO)c2c1C
BDBM136213 Cc1c(sc2ncnc(Nc3cccnc3OCC(F)F)c12)C(O)=O
BDBM136214 Cc1c(sc2ncnc(Nc3cccnc3OCC(F)F)c12)C(N)=O
BDBM136215 Cc1c(sc2ncnc(Nc3cccnc3OCC(F)F)c12)C(=O)NCCO
BDBM136216 CN(C)CCCNC(=O)c1sc2ncnc(Nc3cccnc3OCC(F)F)c2c1C
BDBM136219 CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
BDBM136220 CCNC(=O)C(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC)c(C)c12
BDBM136223 COC(=O)c1sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c2c1C
BDBM136224 Cc1c(sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c12)C(N)=O
BDBM136225 COC(=O)c1sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c2c1C
BDBM136226 Cc1c(sc2ncnc(Nc3cccnc3OCC3CC3(F)F)c12)C(N)=O
BDBM136227 COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
BDBM136228 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
BDBM136229 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
BDBM136230 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCCO)c(C)c12
BDBM136231 CCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
BDBM136232 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN3CCOCC3)c(C)c12
BDBM136233 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC3CNCCO3)c(C)c12
BDBM136234 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)N[C@H]3C[C@@H]3N)c(C)c12 |r|
BDBM136235 CNC(=O)CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
BDBM136236 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCc3cnco3)c(C)c12
BDBM136237 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCN3CCCCC3)c(C)c12
BDBM136238 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
BDBM136239 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCO)c(C)c12
BDBM136240 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
BDBM136241 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC(C)O)c(C)c12
BDBM136242 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC3COCCN3)c(C)c12
BDBM136243 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCc3cn(C)cn3)c(C)c12
BDBM136244 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#CCN(C)C)c(C)c12
BDBM136245 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)N[C@H]3CC[C@H](O)CC3)c(C)c12 |r,wU:21.21,wD:24.25,(.33,4.1,;.33,5.64,;1.66,6.41,;-1.01,6.41,;-2.34,5.64,;-3.67,6.41,;-5.01,5.64,;-5.01,4.1,;-3.67,3.33,;-2.34,4.1,;-1.01,3.33,;-1.01,1.79,;-2.34,1.02,;-2.34,-.52,;-1.01,-1.29,;.33,-.52,;1.79,-.99,;2.7,.25,;4.24,.25,;5.01,1.59,;5.01,-1.08,;4.24,-2.41,;5.01,-3.75,;4.24,-5.08,;2.7,-5.08,;1.93,-6.41,;1.93,-3.75,;2.7,-2.41,;1.79,1.5,;2.56,2.83,;.33,1.02,)|
BDBM136246 CC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCC#N)c(C)c12
BDBM50024294 Oc1c2cccc3N=Nc(c23)c2ccccc12 |c:7|
BDBM181478 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccon3)c12)N=S(C)(C)=O
BDBM50043341 COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
BDBM181545 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)C |r|
BDBM181544 CCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181559 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H]1CCC[C@H]1O |r|
BDBM181558 CC(C)N(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM50079403 Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(O)=O
BDBM50079466 COCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50079473 COC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM181479 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
BDBM181481 CCC(C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181480 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1nnc(C)o1
BDBM181482 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CCC(=O)N3)c12)N=S(C)(C)=O |r|
BDBM181483 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3COCCO3)c12)N=S(C)(C)=O
BDBM181484 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCOCC3)c12)N=S(C)(C)=O
BDBM181488 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181486 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
BDBM181487 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCOC3)c12)N=S(C)(C)=O
BDBM181501 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#N |r|
BDBM181502 CC(O)CNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181503 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC1COC1 |r|
BDBM181504 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCC(O)C1 |r|
BDBM181505 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC1CCCO1 |r|
BDBM181506 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)Cc1ccccc1 |r|
BDBM181520 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)C1CCCC1 |r|
BDBM181521 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC#C |r|
BDBM181522 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)CCO |r|
BDBM181523 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCCO |r|
BDBM181524 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCS(=O)CC1 |r|
BDBM181525 CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181532 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H]1CCC[C@@H]1O |r|
BDBM181533 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#N |r|
BDBM181534 COCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181535 COCCN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181536 CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181489 COCC(C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181490 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@H](C)C(F)(F)F |r|
BDBM181491 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N(CC(F)(F)F)CC(F)(F)F |r|
BDBM181492 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(CC(F)F)CC(F)F |r|
BDBM181493 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(C(F)(F)F)C(F)(F)F |r|
BDBM181494 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(CC(F)(F)F)CC(F)(F)F |r|
BDBM181507 CC(C)CN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181508 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NC1CCOCC1 |r|
BDBM181509 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NC1CCC1 |r|
BDBM181510 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCCC1 |r|
BDBM181511 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)Cc1ccccc1 |r|
BDBM181512 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC#C |r|
BDBM181546 CC(C)CN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181547 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)C1CCCC1 |r|
BDBM181548 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCC(=O)CC1 |r|
BDBM181549 COCCN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181550 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCN(C)CC1 |r|
BDBM181551 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N[C@H]1CCOC1 |r|
BDBM181560 CC#CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181561 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCCCC1 |r|
BDBM181562 CCN(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181563 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(C)(C)O |r|
BDBM181564 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCC1 |r|
BDBM181565 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181566 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCCO |r|
BDBM181583 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCC(F)(F)F |r|
BDBM181485 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ccncc1
BDBM181472 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCNC(=O)C3)c12)N=S(C)(C)=O
BDBM181473 CC(Cn1cccn1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181474 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1nccs1
BDBM181475 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1nc(C)no1
BDBM181476 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CNC(=O)C3)c12)N=S(C)(C)=O
BDBM181477 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC[C@H]3CCC(=O)N3)c12)N=S(C)(C)=O |r|
BDBM181495 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC1CCCO1 |r|
BDBM181496 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)C |r|
BDBM181497 CC(C)N(C)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181498 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCS(=O)CC1 |r|
BDBM181499 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCC(O)C1 |r|
BDBM181500 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N1CCCC1 |r|
BDBM181513 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC1CCOCC1 |r|
BDBM181514 CC(O)CNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181515 COCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181516 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N=S(C)(C)=O |r|
BDBM181517 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC1CCC1 |r|
BDBM181518 CNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181519 CCN(CC)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181526 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCOCC1 |r|
BDBM181527 CCCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181528 CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181529 COCCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181530 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
BDBM181531 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)CCc1ccccc1 |r|
BDBM181537 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)F |r|
BDBM181538 CC#CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181539 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@H]1CCOC1 |r|
BDBM181540 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCC(=O)CC1 |r|
BDBM181541 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(N)=O |r|
BDBM181542 CCC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181543 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCC1 |r|
BDBM181552 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(C)(C)O |r|
BDBM181553 COC1CCN(CC1)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181554 CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181555 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N(C)CCO |r|
BDBM181556 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N1CCCCC1 |r|
BDBM181557 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N(C)CCc1ccccc1 |r|
BDBM181567 COC1CCN(CC1)C(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181568 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
BDBM181569 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N[C@@H]1CCC[C@@H]1O |r|
BDBM181570 CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O |r|
BDBM181571 C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
BDBM181573 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181663 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
BDBM181661 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
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
BDBM181643 C[C@@H](CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181641 C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C#N |r|
BDBM181642 C[C@@H](CNS(C)(=O)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181644 C[C@H](CNS(C)(=O)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181645 C[C@@H](CNC(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181646 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCN(CC1)C(C)=O)c1cc(C)no1 |r|
BDBM181647 CCNC(=O)NC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181648 COCC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
BDBM181649 CCNC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
BDBM181650 C[C@H](CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181651 C[C@H](CNC(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181652 C[C@H](CNS(=O)(=O)C(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181653 CCC(=O)NC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM50079402 Cc1c(sc2ncnc(Nc3ccc(=O)n(C)c3)c12)C(N)=O
BDBM50079404 COC(=O)c1sc2ncnc(Nc3ccc(=O)n(C)c3)c2c1C
BDBM181654 COC(=O)N1CCS(=O)(CC1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
BDBM181656 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)F)c12)N=S1(=O)CCC1 |r|
BDBM181657 CCOc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCC1 |r|
BDBM181658 COc1cc(cc2ncnc(Nc3cccnc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
BDBM181659 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N
BDBM191572 Nc1nc(N)c2nc(c(N)nc2n1)-c1cccc(Cl)c1
BDBM181660 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C#N
BDBM181662 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM181664 COc1cc(cc2ncnc(Nc3ccc(F)cc3OC(C)c3cc(C)no3)c12)N=S(C)(C)=O
BDBM181665 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCN(C)CC1)c1cc(C)no1 |r|
BDBM181574 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
BDBM181666 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
BDBM181667 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(N)=O)c12)N=S(C)(C)=O |r|
BDBM181668 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CF)C(=O)NCC(F)(F)F)c12)N=S(C)(C)=O |r|
BDBM181575 CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1 |r|
BDBM181576 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC12CC(C1)C2 |r|
BDBM181577 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)F |r|
BDBM181578 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C3CC3)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181579 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC#N |r|
BDBM181580 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181581 COc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCC1 |r|
BDBM181582 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181584 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)N[C@H](C)C(F)(F)F |r|
BDBM181585 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181586 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181587 C[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C#N |r|
BDBM181588 C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181589 CCOc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)N[C@@H](C)C#N)c12)N=S1(=O)CCC1 |r|
BDBM181590 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181591 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC#N |r|
BDBM181593 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
BDBM181594 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181595 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NC(CF)CF |r|
BDBM181596 C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C#N |r|
BDBM181597 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC#N |r|
BDBM181598 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM181599 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCCF |r|
BDBM181600 C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
BDBM181601 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCF |r|
BDBM181603 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)F |r|
BDBM181604 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181605 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
BDBM181606 C[C@@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C#N |r|
BDBM181607 C[C@@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C#N |r|
BDBM181608 CC(C)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
BDBM181609 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC#N)c12)N=S1(=O)CCC1 |r|
BDBM181610 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCC(F)F |r|
BDBM181611 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCCF |r|
BDBM181612 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181613 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)C(F)(F)F |r|
BDBM181614 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)NC(CF)CF |r|
BDBM181615 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NC(CF)CF |r|
BDBM181616 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181617 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
BDBM181618 C[C@@H](Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181619 CC(NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)F |r|
BDBM181620 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(F)F |r|
BDBM181621 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181622 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NC(CF)CF |r|
BDBM181623 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)C(F)(F)F |r|
BDBM181624 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(F)F |r|
BDBM181625 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC(CF)CF |r|
BDBM181626 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C#N |r|
BDBM181627 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
BDBM181628 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(F)F |r|
BDBM181629 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181630 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181631 C[C@H](NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C#N |r|
BDBM181632 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181633 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181634 C[C@H](NC(=O)[C@@H](C)Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C#N |r|
BDBM181635 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
BDBM181636 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)F |r|
BDBM181637 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181638 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCCCF |r|
BDBM181639 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)N[C@H](C)C(F)(F)F |r|
BDBM181640 CC(NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C(F)F)c12)N=S1(=O)CCC1)C(F)F |r|
BDBM181370 CC(Oc1cc(ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N)C(F)(F)F
BDBM181371 CS(C)(=O)=Nc1cc(c2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2c1)C(F)(F)F
BDBM181372 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM181373 FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCCC1
BDBM181374 CCS(C)(=O)=Nc1cc(Cl)c2c(Nc3cccnc3O[C@H](C)c3cc(C)no3)ncnc2c1 |r|
BDBM181375 CC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O
BDBM181376 CC(Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM181379 Cc1cc(on1)C(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
BDBM181377 CCOC(Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
BDBM181378 FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCNCC1
BDBM181380 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S1(=O)CCCC1
BDBM181381 CC(Oc1cc(ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(N)=O)c1cc(C)no1
BDBM181382 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
BDBM181383 CC(C)Oc1cc(ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(N)=O
BDBM181384 CC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181385 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181386 CC(Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
BDBM181387 CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2c1
BDBM181388 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181389 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F
BDBM181390 FCC(CF)Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCOCC1
BDBM181391 CS(C)(=O)=Nc1cc(C2CC2)c2c(Nc3ccc(F)cc3OC(CF)CF)ncnc2c1
BDBM181392 CCOC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F
BDBM181393 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)(C)O
BDBM181394 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)c1cc(C)no1
BDBM181395 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)(C)O
BDBM181396 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCc3ccccc3)c12)N=S1(=O)CCCC1
BDBM181397 Cc1cc(cc2ncnc(Nc3cccnc3OCC3CCOC3)c12)N=S1(=O)CCCC1
BDBM181398 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(F)(F)F |r|
BDBM181399 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)(C)C#N
BDBM181400 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181401 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
BDBM181402 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)(C)C#N
BDBM181403 CC(C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181404 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
BDBM181405 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM181406 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1)c1cc(C)no1 |r|
BDBM181407 CC(C)Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O
BDBM181408 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCNCC1)c1cc(C)no1 |r|
BDBM181409 CC(C)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181410 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cc(C)no1 |r|
BDBM181411 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC[C@H](N)C1)C(=O)NCC(F)(F)F |r|
BDBM181412 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC[C@@H](N)C1)C(=O)NCC(F)(F)F |r|
BDBM181413 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)F |r|
BDBM181414 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)NCC(F)(F)F |r|
BDBM181415 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC(O)C1)C(=O)NCC(F)(F)F |r|
BDBM181416 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CC2(COC2)C1)C(=O)NCC(F)(F)F |r|
BDBM181417 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(=O)C1CCOCC1)C(=O)NCC(F)(F)F |r|
BDBM181418 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC#N |r|
BDBM181419 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(=O)C1CCNC1)C(=O)NCC(F)(F)F |r|
BDBM181420 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(=O)C1CCOCC1)C(=O)NCC(F)(F)F |r|
BDBM181421 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S(C)(=O)C1CC1 |r|
BDBM181422 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(=O)NCC(F)(F)F |r|
BDBM50079405 COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O
BDBM181423 COC(=O)N1CC2(C1)CS(=O)(C2)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2c1 |r|
BDBM181424 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)NCC#N |r|
BDBM181425 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC(C)(C)C1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181426 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC(C)C1)C(=O)NCC(F)(F)F |r|
BDBM181427 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)CF)c12)N=S1(=O)CCC1 |r|
BDBM181428 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC(F)(F)F |r|
BDBM181429 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC2(COC2)C1)C(=O)NCC(F)(F)F |r|
BDBM181430 C[C@@H](Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NCC(F)(F)F |r|
BDBM181431 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(=O)C(C)(C)C)C(=O)NCC(F)(F)F |r|
BDBM181432 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1)C(=O)NC(C(F)(F)F)C(F)(F)F |r|
BDBM181433 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(=O)C1CC1)C(=O)NCC(F)(F)F |r|
BDBM181434 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(F)(F)F)c12)N=S1(=O)CCC1 |r|
BDBM181435 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC(C)(C)C1)C(=O)NCC(F)(F)F |r|
BDBM181436 C[C@@H](Oc1cc(Cl)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CC2(COC2)C1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM181437 CC(C)S(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2c1 |r|
BDBM181438 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCC1 |r|
BDBM181439 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(F)(F)F |r|
BDBM181440 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12)N=S(C)(C)=O
BDBM181441 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ncco1
BDBM181442 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC[C@H]3CNC(=O)O3)c12)N=S(C)(C)=O |r|
BDBM181443 CC(Cn1ccnc1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181444 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC#N)c12)N=S(C)(C)=O
BDBM181445 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCCCO3)c12)N=S(C)(C)=O
BDBM181446 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1cccnc1
BDBM181447 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)N=S(C)(C)=O
BDBM181448 Cc1cc(COc2cc(F)ccc2Nc2ncnc3cc(cc(C)c23)N=S(C)(C)=O)no1
BDBM181449 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C1CCCO1
BDBM181450 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c12)N=S1(=O)CCCC1 |r|
BDBM181451 CCOC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM181452 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3CCO3)c12)N=S(C)(C)=O
BDBM181453 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3(CCC3)C#N)c12)N=S(C)(C)=O
BDBM181454 CC(Cn1ccnc1C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181455 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#C
BDBM181456 CCC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)OC
BDBM181457 C[C@H](CN)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181458 CC(CC1CCOCC1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181460 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ccccn1
BDBM181461 CCOC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181462 CC(Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)c1ccnn1C
BDBM181463 C[C@@H](CN)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM181465 CN(C)C(=O)COc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181466 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3(CC3)C(F)(F)F)c12)N=S(C)(C)=O
BDBM181467 CC(COC1CCOC1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O
BDBM181468 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCC3(C)COC3)c12)N=S(C)(C)=O
BDBM181469 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCCCO)c12)N=S(C)(C)=O
BDBM181470 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c12)N=S(C)(C)=O
BDBM50059655 COc1ccc(cc1OC)C(=O)O\N=C1\c2ccccc2-c2nc3ccccc3nc12
BDBM50059656 O\N=C1\c2ccccc2-c2nc3ccccc3nc12
BDBM181592 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)c12)N=S1(=O)CCC1 |r|
BDBM50079468 CNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50059657 O=C(O\N=C1\c2ccccc2-c2nc3ccccc3nc12)c1ccco1
BDBM50079470 COCCn1cc(C)cc(Nc2ncnc3sc(C(O)=O)c(C)c23)c1=O
BDBM50079472 COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)OC)c(C)c23)c1=O
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50079467 CCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50079469 Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(N)=O
BDBM50079471 Cc1c(sc2ncnc(Nc3cc(C)cn(C)c3=O)c12)C(O)=O
BDBM50079449 COCCCNC(=O)c1sc2ncnc(Nc3cc(C)cn(C)c3=O)c2c1C
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50130693 Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12
BDBM50130694 CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@@]2(C)C1=O |r,c:3,t:6|
BDBM50130695 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C
BDBM50130697 Cc1c(sc2ncnc(Nc3ccc(F)cc3)c12)C(O)=O
BDBM50130698 Cc1c(sc2ncnc(Nc3ccc(F)cc3C)c12)C(O)=O
BDBM50130702 CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12
BDBM50130704 CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130705 CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130706 COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130707 COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
BDBM50130696 COC(=O)c1sc2ncnc(Nc3ccc(F)cc3C)c2c1C
BDBM50130703 CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
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,)|
BDBM50170166 CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
BDBM50170167 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
BDBM50170168 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
BDBM50170169 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1
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,)|
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,)|
BDBM50170174 CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170217 CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
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,)|
BDBM50170170 CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170171 FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
BDBM50170172 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1
BDBM50170173 CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170213 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1
BDBM50170221 CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
BDBM50170222 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
BDBM50170223 FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
BDBM50170224 CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
BDBM50170214 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1
BDBM50170215 CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170216 CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
BDBM50170218 CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
BDBM50170219 CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM50170220 CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM164263 CC1(Cc2cccc(F)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164259 CC1(Cc2ccc(Cl)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164267 O=C1NC2(CCCC2)n2c1ccc(Nc1ccncn1)c2=O
BDBM164268 CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164269 CC(C)C1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164270 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C1CCCC1
BDBM164271 CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM164273 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(F)cc1
BDBM164274 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(F)c1
BDBM164276 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccc(Cl)cc1
BDBM164278 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C(F)(F)F
BDBM164279 CC1(CN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164280 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccsc1
BDBM164281 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cscn1
BDBM164590 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
BDBM164598 CC1(Cc2cccc(Cl)c2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM164599 CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
BDBM164600 O=C(Nc1cc(Nc2ccc3C(=O)NC4(CCCC4)n3c2=O)ncn1)C1CC1
BDBM164607 CC1(CC(F)(F)F)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM164609 CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
BDBM164610 CN(CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)C(=O)OC(C)(C)C
BDBM164611 O=C(OCc1ccccc1)N1CCC2(C1)NC(=O)c1ccc(Nc3ccncn3)c(=O)n21
BDBM164615 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(F)c1
BDBM168130 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(F)cc(Cl)c1
BDBM168131 CC(C)C1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168140 CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
BDBM168200 CC1(NC(=O)c2ccc(Nc3cc(\C=C\C4CC4)ncn3)c(=O)n12)C(F)(F)F
BDBM168201 CC1(C)NC(=O)c2ccc(-n3ccc4cncnc34)c(=O)n12
BDBM168202 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1cc(Cl)cc(Cl)c1
BDBM168203 CC1(NC(=O)c2ccc(Nc3ccncn3)c(=O)n12)c1ccccn1
BDBM168204 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C(F)(F)F
BDBM168205 CC1(C)CCCC11NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168206 CC1(NC(=O)c2ccc(Nc3ncnc4[nH]c(cc34)C3CC3)c(=O)n12)C(F)(F)F
BDBM168207 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
BDBM168208 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCC1
BDBM168209 CC1(C)NC(=O)c2ccc(N3CCc4cncnc34)c(=O)n12
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM168210 CC1(CCN2C(=O)c3ccccc3C2=O)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168211 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
BDBM168213 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC1
BDBM168215 CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168217 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)C1CCCC1
BDBM168220 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C(F)(F)F
BDBM168224 Clc1ccc2C(=O)NC3(CCC[C@@H](C3)N3C(=O)c4ccccc4C3=O)n2c1=O |r|
BDBM168225 CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168226 CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168228 CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168230 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccc(Cl)c1
BDBM168231 CC1(NC(=O)c2ccc(Nc3cc(NC(C4CC4)C(F)(F)F)ncn3)c(=O)n12)C(F)(F)F
BDBM168232 CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168233 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCOCC1
BDBM164243 CC1(C)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168234 FC1(F)CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168235 CC1(C)CCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168236 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCOCC1
BDBM168237 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CSC1
BDBM168238 FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168239 Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168240 CC1(C)NC(=O)c2c(cc(Nc3ccncn3)c(=O)n12)C1CC1
BDBM168241 CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12
BDBM162342 COc1ccc(CN2CCn3c(ccc(Nc4ccncn4)c3=O)C2=O)cc1
BDBM164257 CC1(Cc2ccc(F)cc2)NC(=O)c2ccc(Nc3ccncn3)c(=O)n12
BDBM168242 Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCOCC4)n3c2=O)ncn1
BDBM168244 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1cccnc1
BDBM168245 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccncc1
BDBM168246 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccccn1
BDBM168247 CC1(NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12)c1ccncc1
BDBM168248 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccn1
BDBM168249 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccnc1
BDBM168250 FC1CCCCC11NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168252 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(c1)C(F)(F)F
BDBM168253 COc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168254 CSc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168255 Cc1cccc(c1)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168256 CC(C)(C)C1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168257 FC(F)(F)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168258 CC(C)(C)OC(=O)N1CC2(C1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168261 CNc1cc(Nc2cc(Cl)c3C(=O)NC(C)(c4cccc(Cl)c4)n3c2=O)ncn1
BDBM168262 Cc1cccc(n1)C1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168263 Fc1cccc(c1)C1NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168264 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(Cl)c1
BDBM168266 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1
BDBM168267 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CS(=O)C1
BDBM168268 CC1(C)CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168269 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1ccccc1
BDBM168270 Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCC1
BDBM50191677 c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1
BDBM168272 CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cc(ncc34)C3CC3)c(=O)n12
BDBM168273 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
BDBM168212 CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12
BDBM168216 CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168222 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1
BDBM168223 CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(F)c1
BDBM164608 CC1(NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)C1CCCC1
BDBM168214 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168301 Clc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168289 C[Si](C)(C)CCOCn1cnc2ncnc(Nc3cc(Cl)c4C(=O)NC5(CCCCC5)n4c3=O)c12
BDBM168291 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC(c4cccc(F)c4)n3c2=O)ncn1
BDBM168292 CC1(C)CCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168293 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCC4(C)C)n3c2=O)ncn1
BDBM168295 CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)c1Cl
BDBM168296 Clc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168297 CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4ccncc34)c(=O)n12
BDBM168298 Cc1nccc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)n1
BDBM168299 Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CNCNC4)n3c2=O)ncn1
BDBM168302 CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
BDBM168303 CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168304 CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3ccncn3)c(=O)n21
BDBM168305 O=c1c(Nc2ccncn2)ccc2C(=S)NC3(CCCCC3)n12
BDBM168306 Clc1cc(Nc2ccncn2)c(=S)n2c1C(=O)NC21CCCCC1
BDBM168307 O=C1NC2(CCCCC2)n2c1c(cc(Nc1ccncn1)c2=O)-c1ccccc1
BDBM168308 Clc1cc(Nc2ncncc2C#N)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168309 Cn1cc(cn1)-c1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168311 CC(C)C(=O)N(COCC[Si](C)(C)C)c1ncnc2n(COCC[Si](C)(C)C)nnc12
BDBM168312 CCCC1(CCC)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168316 COC(=O)CC1(CC(=O)OC)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168317 CC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168319 FC(F)CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168321 FC(F)(F)CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168323 CN1C2CCC1CC1(C2)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168325 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1
BDBM168327 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(CC1)c1ccncn1
BDBM168328 CN(N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21)C(=O)OC(C)(C)C
BDBM168330 CC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168331 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCN(CC1)C#N
BDBM168332 CC1(C)NC(=O)c2c(Cl)cc(Nc3ncnc4cnccc34)c(=O)n12
BDBM168333 Fc1c(NC(=O)C2CC2)ncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168335 CN1CCCC2(C1)NC(=O)c1c(C)cc(Nc3cc(NC(=O)OC(C)(C)C)ncn3)c(=O)n21
BDBM168338 COc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168339 CCc1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM168340 CC(C)c1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM168341 Clc1cc(-n2ccc3cncnc23)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168342 FC(F)(F)C1CCCCC11NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12
BDBM168343 [#6]\[#6](-[#6])=[#6]\C1([#6])[#7]-[#6](=O)-c2c(Cl)cc(-[#7]-c3ccncn3)c(=O)n12
BDBM168344 Cc1c(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM168345 CCc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168347 CCOc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168348 CC(C)Oc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168349 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)N(C1CCCC1)C21CCCCC1
BDBM168350 CN(c1cc(NC(=O)C2CC2)ncn1)c1cc(Cl)c2C(=O)NC3(CCCC3)n2c1=O
BDBM168351 O=C1NC2(CCCCC2)n2c1c(cc(Nc1ccncn1)c2=O)C1CCOCC1
BDBM168352 COc1c(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)ncnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM168353 COc1nc(Nc2cc(C)c3C(=O)NC4(CCCCC4)n3c2=O)cc(n1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
BDBM168354 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1O
BDBM168355 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(O)CC1 |(4.87,-20.91,;4.87,-22.45,;3.54,-23.22,;3.54,-24.76,;2.21,-25.53,;.89,-24.76,;-.45,-25.53,;-1.78,-24.76,;-3.11,-25.53,;-1.78,-23.22,;-.45,-22.45,;.89,-23.22,;4.87,-25.53,;4.87,-27.07,;6.21,-24.76,;6.21,-23.22,;7.67,-22.74,;8.44,-21.41,;8.58,-23.99,;7.67,-25.23,;6.58,-26.32,;6.98,-27.81,;8.47,-28.21,;8.87,-29.7,;9.56,-27.12,;9.16,-25.63,)|
BDBM168357 Cc1cc(Nc2ncncc2C2CC2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168359 Cc1cc(C(=O)c2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168361 CC(C)Cn1c(C(N)=O)c(Cl)cc(Nc2cc(N)ncn2)c1=O
BDBM168362 CCOC(=O)c1c(Cl)cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n1Cc1ccc(OC)cc1
BDBM168363 O=C1NC2(CCCCC2)n2c1ncc(Nc1ccncn1)c2=O
BDBM168364 Cc1nc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168365 Cc1cc(Nc2cc(N)ncn2)c(=O)n2CCCNC(=O)c12
BDBM168366 Cc1cc(Nc2cc(N)[n+]([O-])cn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168367 CN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3cc(ncn3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)n21
BDBM168221 FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n21
BDBM168368 CN1CCC2(CC1)NC(=O)c1c(C)cc(Nc3ncnc(NC(=O)C4CC4)c3C)c(=O)n21
BDBM168369 Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168370 Cc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168371 Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1
BDBM168372 Cc1cc(Nc2cc(ncn2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
BDBM168373 COc1cncnc1Nc1cc(C)c2C(=O)NC3(CCN(CC(F)F)CC3)n2c1=O
BDBM168374 COc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168375 Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1
BDBM168376 Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)F)CC1
BDBM168379 COc1c(NC(=O)C2CC2)ncnc1Nc1cc(C)c2C(=O)NC3(CCN(CC(F)(F)F)CC3)n2c1=O
BDBM168380 COc1cncnc1Nc1cc(C)c2C(=O)NC3(CCN(CC(F)(F)F)CC3)n2c1=O
BDBM168381 Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)c(=O)n2c1C(=O)NC21CCN(CC(F)(F)F)CC1
BDBM168274 Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC2(C)C
BDBM168275 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1
BDBM168276 CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168277 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC(C)(n3c2=O)C(C)(C)C)ncn1
BDBM168278 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCN(CC1)C(=O)OC(C)(C)C
BDBM168279 Cc1cc(Nc2cc(NC(=O)OC(C)(C)C)ncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168280 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCN(CC4)C(=O)OC(C)(C)C)n3c2=O)ncn1
BDBM168281 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168282 FC1(F)CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n21
BDBM168283 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(Cl)cc45)n3c2=O)ncn1
BDBM168284 Fc1cncnc1Nc1cc(Cl)c2C(=O)NC3(CCCCC3)n2c1=O
BDBM168285 Clc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC21Cc2ccccc2C1=O
BDBM168286 CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCc5ccc(F)cc45)n3c2=O)ncn1
BDBM168287 Clc1cc(Nc2ncncc2Cl)c(=O)n2c1C(=O)NC21CCCCC1
BDBM168288 Cc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1
BDBM261758 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)N[C@@H]1CCC[C@H]1O |r|
BDBM261842 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1)C(=O)NCCC(F)(F)F |r|
BDBM261870 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1)C(=O)N[C@@H](C)C(F)(F)F |r|
BDBM261905 C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM261907 C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C#N |r|
BDBM261908 C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(F)(F)F |r|
BDBM289265 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)c1cccnc1 |r|
BDBM289178 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289179 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S(C)(C)=O |r|
BDBM289180 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
BDBM289181 CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289182 CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)OCc1ccccc1 |r|
BDBM289183 CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)OCc1ccccc1 |r|
BDBM289184 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(=O)OCc1ccccc1 |r|
BDBM289187 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(=O)OCc1ccccc1 |r|
BDBM289188 CN1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289189 CN1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289190 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S(C)(C)=O |r|
BDBM289191 CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289193 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CN(C[C@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
BDBM289194 CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289195 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289196 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
BDBM289197 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3OCCF)c12)N=S(C)(C)=O |r|
BDBM289199 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289200 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289202 O[C@@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM289203 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCCC1 |r|
BDBM289207 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289208 O[C@@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
BDBM289210 CO[C@@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289212 CO[C@@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1 |r|
BDBM289213 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289214 CCS(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289215 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCCC1 |r|
BDBM289216 CO[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289217 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289220 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289221 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289225 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289233 O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM289241 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM289244 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM289245 CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)ncnc2c1 |r|
BDBM289247 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289248 Cc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289249 CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289250 CO[C@@H]1CCC(CO1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCC1 |r|
BDBM289251 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S(C)(C)=O |r|
BDBM289252 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM289253 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CN(C[C@@H]3O)S(C)(=O)=O)c12)N=S(C)(C)=O |r|
BDBM289254 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CN(C[C@@H]3O)S(C)(=O)=O)c12)N=S1(=O)CCCC1 |r|
BDBM289255 CN1C[C@H](O)[C@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289120 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S1(=O)CCCC1 |r|
BDBM289121 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3C#N)c12)N=S(C)(C)=O |r|
BDBM289256 CN1C[C@H](O)[C@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289257 CO[C@@H]1CC[C@H](CO1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289258 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=[S@@](C)(=O)c1ccccc1 |r|
BDBM289122 CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)ncnc2c1 |r|
BDBM289123 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S(C)(C)=O |r|
BDBM289125 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289126 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289127 CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289131 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289134 CS(C)(=O)=Nc1cc(C2CC2)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289139 CS(C)(=O)=Nc1cc(OC(F)F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289140 CS(C)(=O)=Nc1cc(c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C(F)(F)F |r|
BDBM289141 O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289142 CS(C)(=O)=Nc1cc(Cl)c2c(Nc3cccnc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289143 O[C@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289144 O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289145 O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289146 CS(C)(=O)=Nc1cc(Br)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289147 CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289148 O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM289149 CS(C)(=O)=Nc1cc(F)c2c(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289150 O[C@@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289151 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289152 O[C@H]1COC[C@@H]1Oc1nc(Cl)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
BDBM289153 O[C@@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289154 CS(C)(=O)=Nc1cc(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3O)ncnc2c1 |r|
BDBM289155 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289156 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(c12)C(F)(F)F)N=S1(=O)CCCC1 |r|
BDBM289157 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289158 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289159 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM289160 Cc1cc(cc2ncnc(Nc3ccc(Cl)cc3O[C@@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289162 Cc1c(F)c(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289163 O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289164 O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCC1 |r|
BDBM289167 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289168 CO[C@H]1COC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289171 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289172 CN1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289174 CN1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289175 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM297349 CC1NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
BDBM297350 CC1NC(=O)c2ccc(Nc3cc(NC(=O)C(C)(C)C)ncn3)cc12
BDBM297351 CC1CC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)cc12
BDBM297352 CC1N(C)C(=O)c2ccc(Nc3ccncn3)cc12
BDBM297353 CC1Cc2cc(Nc3ccncn3)ccc2NC1=O
BDBM297354 CC1CNC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297355 CC1Cc2cc(Nc3ccncn3)ccc2C(=O)N1
BDBM297356 CC1NC(=O)c2ccc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
BDBM297357 CNc1cc(Nc2ccc3C(=O)NC(C)c3c2)ccn1
BDBM297358 CC1NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc12
BDBM297359 O=c1[nH]sc2cc(Nc3ccncn3)ccc12
BDBM297360 NC1CC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297361 O=C1NC2CC2c2cc(Nc3ccncn3)ccc12
BDBM297362 CC1(N)CC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297363 CC1(N)CNC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297364 CC1NC(=O)c2c1cc(Nc1ccncn1)cc2C
BDBM297365 CC1NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
BDBM297366 CC1(C)NC(=O)c2c1cc(Nc1ccncn1)cc2Cl
BDBM297367 O=C1NC(c2ccsc2)c2cc(Nc3ccncn3)ccc12
BDBM297368 CC1NC(=O)c2ccc(Nc3ncnc4NCCOc34)cc12
BDBM297369 CC1NC(=O)c2ccc(Nc3ncnc4NCCc34)cc12
BDBM297370 CC1(CN)NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297371 CC1NC(=O)c2ccc(Nc3ncnc4NC(=O)Cc34)cc12
BDBM297372 CC1NC(=O)c2cnc(Nc3ccnc(NC(=O)C4CC4)c3)cc12
BDBM297373 CC1(C)NC(=O)c2c1cc(Nc1cc(N)ncn1)cc2Cl
BDBM297374 Cc1cc(Nc2cc(N)ncn2)cc2c1C(=O)NC2(C)C
BDBM297375 Clc1cc(Nc2ccncn2)cc2c1C(=O)NC21CCCCC1
BDBM297376 Nc1cc(Nc2cc3c(C(=O)NC33CCCC3)c(Cl)c2)ncn1
BDBM297377 Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)cc2c1C(=O)NC21CCCCC1
BDBM297378 NC(=O)c1ccc2ncn(-c3cc(N)ncn3)c2c1
BDBM297379 CC1(C)NC(=O)c2c1cc(Nc1ncnc(N)c1Cl)cc2Cl
BDBM297380 Cc1cc(Nc2cc(N)ncn2)cc2c1C(=O)NC21CCCCC1
BDBM297381 CC1(C)NC(=O)c2ccc(Nc3cc(N)ncn3)c(Cl)c12
BDBM297382 CCc1c(N)ncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
BDBM297383 COc1cncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
BDBM297384 Cc1cc(Nc2ncnc(N)c2C)cc2c1C(=O)NC21CCCCC1
BDBM297385 CCc1cncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
BDBM297386 COc1c(N)ncnc1Nc1cc2c(C(=O)NC22CCCCC2)c(C)c1
BDBM297387 Cc1cc(Nc2ncnc(N)c2Cl)cc2c1C(=O)NC21CCCCC1
BDBM297388 Nc1ncnc(Nc2cc3c(C(=O)NC33CCCCC3)c(Cl)c2)c1Cl
BDBM297342 CC1NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297343 O=C1NCCc2cc(Nc3ccncn3)ccc12
BDBM297344 CC(=O)Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1
BDBM297345 O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1
BDBM297346 CC(C)C1NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297347 CC1(C)NC(=O)c2ccc(Nc3ccncn3)cc12
BDBM297348 CSc1cc(Nc2ccc3C(=O)NC(C)c3c2)ncn1
BDBM289342 CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289343 CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)=O |r|
BDBM289344 CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)=O |r|
BDBM289345 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)C(C)=O |r|
BDBM289346 CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)S(C)(=O)=O |r|
BDBM289349 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)S(C)(=O)=O |r|
BDBM289350 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)S(C)(=O)=O |r|
BDBM289353 CO[C@@H]1CN(C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O)S(C)(=O)=O |r|
BDBM289355 CO[C@@H]1CN(C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)=O |r|
BDBM289356 CC(=O)O[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289357 CC(=O)O[C@H]1CN(C[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1)C(C)=O |r|
BDBM289358 COCCO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289359 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC3CC3)c12)N=S(C)(C)=O |r|
BDBM289360 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OC3COC3)c12)N=S(C)(C)=O |r|
BDBM289361 COc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289362 COc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289363 COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289364 COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289365 COc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289366 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(OC)c12)N=S(C)(C)=O |r|
BDBM289367 CO[C@@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(OC)c12)N=S1(=O)CCCC1 |r|
BDBM289368 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM289369 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289370 COc1cc(cc2ncnc(Nc3ccc(Cl)nc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289371 CCOc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289372 CS(C)(=O)=Nc1cc(OCC(F)F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289373 CS(C)(=O)=Nc1cc(OCCF)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289374 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)C |r|
BDBM289375 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289376 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
BDBM289266 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
BDBM289267 CC(C)S(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289377 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
BDBM289378 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289379 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
BDBM289380 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
BDBM289381 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC1 |r|
BDBM289382 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C1CC1 |r|
BDBM289268 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CC1 |r|
BDBM289269 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C1CC1 |r|
BDBM289270 CC(C)S(C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289271 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
BDBM289272 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCC(O)CC1 |r|
BDBM289273 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CC1 |r|
BDBM289276 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCOCC1 |r|
BDBM289383 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
BDBM289384 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
BDBM289385 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)C(C)C |r|
BDBM289386 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
BDBM289387 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CC1 |r|
BDBM289388 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC(C)C1 |r|
BDBM289279 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C(C)(C)C |r|
BDBM289281 CC1CCS(=O)(C1)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289282 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1cccnc1 |r|
BDBM289283 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)C1CCC(O)CC1 |r,wU:23.25,wD:19.19,(.34,.77,;.34,-.77,;1.67,-1.54,;1.67,-3.08,;.34,-3.85,;-.99,-3.08,;-2.33,-3.85,;-3.66,-3.08,;-3.66,-1.54,;-2.33,-.77,;-2.33,.77,;-3.66,1.54,;-3.66,3.08,;-4.99,3.85,;-6.33,3.08,;-7.66,3.85,;-6.33,1.54,;-4.99,.77,;-4.99,-.77,;-6.33,-1.54,;-7.79,-1.06,;-8.7,-2.31,;-7.79,-3.56,;-6.33,-3.08,;-4.99,-3.85,;-.99,-1.54,;3.01,-3.85,;4.34,-3.08,;3.57,-1.75,;5.68,-3.85,;5.43,-1.99,;6.92,-2.39,;8.01,-1.3,;7.61,.19,;8.7,1.28,;6.12,.59,;5.03,-.5,)|
BDBM289285 CC1CCS(=O)(C1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289286 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C1CCC(O)CC1 |r,wU:23.25,wD:19.19,(3.57,-1.75,;4.34,-3.08,;5.68,-3.85,;3.01,-3.85,;1.67,-3.08,;1.67,-1.54,;.34,-.77,;.34,.77,;-.99,-1.54,;-2.33,-.77,;-2.33,.77,;-3.66,1.54,;-3.66,3.08,;-4.99,3.85,;-6.33,3.08,;-7.66,3.85,;-6.33,1.54,;-4.99,.77,;-4.99,-.77,;-6.33,-1.54,;-7.79,-1.06,;-8.7,-2.31,;-7.79,-3.56,;-6.33,-3.08,;-4.99,-3.85,;-3.66,-1.54,;-3.66,-3.08,;-2.33,-3.85,;-.99,-3.08,;.34,-3.85,;5.43,-1.99,;6.92,-2.39,;8.01,-1.3,;7.61,.19,;8.7,1.28,;6.12,.59,;5.03,-.5,)|
BDBM289389 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC(C)C1 |r|
BDBM289390 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCC(O)CC1 |r|
BDBM289391 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCC(O)CC1 |r|
BDBM289392 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3O)c12)N=S(C)(=O)c1ccncc1 |r|
BDBM289393 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccccc1 |r|
BDBM289287 CC1CCS(=O)(C1)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289289 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)c1ccccc1 |r|
BDBM289290 O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
BDBM289293 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)C1CCOCC1 |r|
BDBM289294 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1)c1cccnc1 |r|
BDBM289296 CC(C)S(C)(=O)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289298 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1)C1CC1 |r|
BDBM289299 O[C@H]1COC[C@@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC1 |r|
BDBM289302 O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCCC1 |r|
BDBM289310 O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(F)c12)N=S1(=O)CCC(O)CC1 |r|
BDBM289311 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1)c1ccccc1 |r|
BDBM289312 CC1CCS(=O)(C1)=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289313 CS(=O)(=Nc1cc(F)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1)c1ccncc1 |r|
BDBM289314 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3C[C@@H]4CC[C@H]3O4)c12)N=S(C)(C)=O |r|
BDBM289315 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3C[C@@H]4CO[C@H]3C4)c12)N=S(C)(C)=O |r|
BDBM289316 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3F)c12)N=S(C)(C)=O |r|
BDBM289317 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@H]3F)c12)N=S1(=O)CCCC1 |r|
BDBM289319 CC(=O)N1C[C@@H](O)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289320 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CNC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289323 Cc1cc(cc2ncnc(Nc3cccnc3O[C@@H]3CNC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM289324 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3CNC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289325 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CNC[C@H]3O)c12)N=S(C)(C)=O |r|
BDBM289326 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3CNC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289327 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CNC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289328 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3CNC[C@@H]3O)c12)N=S(C)(C)=O |r|
BDBM289329 CO[C@@H]1CNC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289330 CO[C@@H]1CNC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289331 CCN1C[C@@H](OC)[C@@H](C1)Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289332 CO[C@@H]1CNC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289333 CO[C@@H]1CNC[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289334 CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289335 CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289337 CO[C@@H]1CN(CCF)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289340 CO[C@@H]1CN(CC(F)F)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289398 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC(F)F)c12)N=S(C)(C)=O |r|
BDBM289399 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCC(F)F)c12)N=S1(=O)CCCC1 |r|
BDBM289397 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCCF)c12)N=S(C)(C)=O |r|
BDBM289400 CO[C@@H]1CN(C)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289401 CO[C@@H]1CN(C)C[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289403 CO[C@@H]1CN(C)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289402 CO[C@@H]1CN(C)C[C@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289404 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC3CCC(O)OC3)c12)N=S1(=O)CCC1
BDBM289405 Cc1cc(cc2ncnc(Nc3ccc(F)cc3OC3CCC(O)OC3)c12)N=S(C)(C)=O
BDBM289406 CO[C@H]1OC[C@H](Oc2cc(F)ccc2Nc2ncnc3cc(cc(C)c23)N=S(C)(C)=O)C=C1 |r,c:34|
BDBM289407 CO[C@@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289408 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3OCc3ccccc3)c12)N=S1(=O)CCCC1 |r|
BDBM289410 CO[C@@H]1COC[C@@H]1Oc1ncccc1Nc1ncnc2cc(cc(C)c12)N=S1(=O)CCCC1 |r|
BDBM289412 Cc1cc(cc2ncnc(Nc3cccnc3O[C@H]3COC[C@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289413 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289415 CO[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(C)c12)N=S(C)(C)=O |r|
BDBM289420 CC[S@@](C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM289394 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S1(=O)CCCC1 |r|
BDBM289396 Cc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@H]3OCCF)c12)N=S1(=O)CCCC1 |r|
BDBM289395 COc1cc(cc2ncnc(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)c12)N=S(C)(=O)c1ccncc1 |r|
BDBM289417 O[C@H]1COC[C@H]1Oc1cc(F)ccc1Nc1ncnc2cc(cc(Cl)c12)N=S1(=O)CCCC1 |r|
BDBM289419 CC[S@](C)(=O)=Nc1cc(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2c1 |r|
BDBM313886 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
BDBM313887 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCCN3CCCC3)c(C)c12)C(F)(F)F |r|
BDBM313888 CCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313889 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCN3CCOCC3)c(C)c12)C(F)(F)F |r|
BDBM313890 COC1CS(=O)(C1)=Nc1cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)c2c(C)c1OC |r|
BDBM313891 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313892 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313893 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC(O)CC1 |r|
BDBM313894 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313895 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313896 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313897 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCCC1 |r|
BDBM313898 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313899 COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313900 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313901 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C1CCOCC1 |r|
BDBM313902 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313903 COc1c(C)c2c(Nc3ccc(F)cc3OC3CCOCC3)ncnc2cc1N=S(C)(C)=O
BDBM313904 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OCCCN3CCOCC3)c(C)c12)C(F)(F)F |r|
BDBM313905 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313906 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCOCC1 |r|
BDBM313907 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OC)c(Cl)c12 |r|
BDBM313908 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C(C)(C)C |r|
BDBM313909 COc1c(cc2ncnc(Nc3cc4cn[nH]c4cc3OC(C)C)c2c1C)N=S(C)(C)=O
BDBM313910 COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313911 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S(C)(C)=O |r,wU:16.16,wD:19.20,(3.92,-2.31,;3.92,-3.85,;2.59,-4.62,;1.26,-3.85,;1.26,-2.31,;-.08,-4.62,;-1.41,-3.85,;-1.41,-2.31,;-2.74,-1.54,;-4.08,-2.31,;-5.41,-1.54,;-5.41,,;-6.75,.77,;-4.08,.77,;-2.74,,;-1.41,.77,;-1.41,2.31,;-2.74,3.08,;-2.74,4.62,;-1.41,5.39,;-1.41,6.93,;-.08,4.62,;-.08,3.08,;-2.74,-4.62,;-2.74,-6.16,;-1.41,-6.93,;-.08,-6.16,;1.26,-6.93,;2.59,-6.16,;3.92,-6.93,;5.26,-6.16,;6.59,-6.93,;6.75,-5.76,;5.26,-4.62,)|
BDBM313912 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)CCO |r|
BDBM313913 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313914 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313915 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4[C@@H](F)CO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313916 COc1c(C)c2c(Nc3cc4cn[nH]c4cc3OC(C)C)ncnc2cc1N=S1(=O)CCC1
BDBM313917 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC)c(Cl)c12 |r|
BDBM313918 COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313919 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCNCC1 |r|
BDBM313920 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C(C)C |r|
BDBM313921 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCCN3CCN(C)C(=O)C3)c(C)c12)C(F)(F)F |r|
BDBM313922 COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313923 COc1c(Cl)c2c(Nc3ccc(F)cc3OC3CCOCC3)ncnc2cc1N=S(C)(C)=O
BDBM313924 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313925 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)c(OC)c(C)c12 |r|
BDBM313926 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313927 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S(C)(C)=O |r|
BDBM313928 COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313929 COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313930 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)c(OC)c(C)c12 |r|
BDBM313931 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313932 COc1c(C)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(=O)C1CC1 |r|
BDBM313933 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCCC1 |r,wU:16.16,wD:19.20,(3.48,-1.69,;3.48,-3.23,;2.15,-4,;.82,-3.23,;.82,-1.69,;-.52,-4,;-1.85,-3.23,;-1.85,-1.69,;-3.19,-.92,;-4.52,-1.69,;-5.85,-.92,;-5.85,.62,;-7.19,1.39,;-4.52,1.39,;-3.19,.62,;-1.85,1.39,;-1.85,2.93,;-3.19,3.7,;-3.19,5.24,;-1.85,6.01,;-1.85,7.55,;-.52,5.24,;-.52,3.7,;-3.19,-4,;-3.19,-5.54,;-1.85,-6.31,;-.52,-5.54,;.82,-6.31,;2.15,-5.54,;3.48,-6.31,;4.82,-5.54,;4.82,-4,;4.82,-7.08,;6.28,-7.55,;7.19,-6.31,;6.28,-5.06,)|
BDBM313934 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC)c(C)c12 |r|
BDBM313935 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3COC[C@@H]3O)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313936 COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313937 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313938 COc1c(C)c2c(Nc3cccnc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S(C)(C)=O |r|
BDBM313939 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S(C)(C)=O |r|
BDBM313940 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(O)c(C)c12)C(F)(F)F |r|
BDBM313941 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313942 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(=O)N[C@@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313943 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313944 CO[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCCC3)c(OC)c(Cl)c12 |r|
BDBM313945 COc1c(C)c2c(Nc3ccc(Cl)cc3O[C@H](C)C(=O)NCC(F)(F)F)ncnc2cc1N=S1(=O)CCCC1 |r|
BDBM313946 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CCOC3)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313947 COc1c(C)c2c(Nc3ccc(F)cc3O[C@H]3CC[C@H](O)CC3)ncnc2cc1N=S1(=O)CCC1 |r,wU:16.16,wD:19.20,(3.72,-1.95,;3.72,-3.49,;2.39,-4.26,;1.06,-3.49,;1.06,-1.95,;-.28,-4.26,;-1.61,-3.49,;-1.61,-1.95,;-2.94,-1.18,;-4.28,-1.95,;-5.61,-1.18,;-5.61,.36,;-6.94,1.13,;-4.28,1.13,;-2.94,.36,;-1.61,1.13,;-1.61,2.67,;-2.94,3.44,;-2.94,4.98,;-1.61,5.75,;-1.61,7.29,;-.28,4.98,;-.28,3.44,;-2.94,-4.26,;-2.94,-5.8,;-1.61,-6.57,;-.28,-5.8,;1.06,-6.57,;2.39,-5.8,;3.72,-6.57,;5.06,-5.8,;5.06,-4.26,;5.46,-7.29,;6.94,-6.89,;6.55,-5.4,)|
BDBM313948 COc1c(Cl)c2c(Nc3ccc(F)cc3O[C@@H]3CO[C@@H]4CCO[C@H]34)ncnc2cc1N=S1(=O)CCC1 |r|
BDBM313949 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OCC3CC3)c(C)c12)C(F)(F)F |r|
BDBM313950 COCCOc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313951 CC(C)Oc1c(C)c2c(Nc3ccc(F)cc3O[C@H](C)C(F)(F)F)ncnc2cc1N=S(C)(C)=O |r|
BDBM313952 C[C@@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S(C)(C)=O)c(OC3CCOC3)c(C)c12)C(F)(F)F |r|