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221 SMILES Strings for Apoptosis Signal-regulating Kinase 1 (ASK1)

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5485 Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
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|
BDBM7491 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
BDBM8436 OC(=O)CN1C(=S)S\C(=C/c2ccco2)C1=O
BDBM8434 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=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
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
BDBM28846 OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O
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|
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
BDBM32006 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
BDBM32315 CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM37924 C1CCN(CC1)c1ncnc2nc[nH]c12
BDBM39880 CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM39301 CCCN(CCC)c1ncnc2nc[nH]c12
BDBM50679 O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50059889 CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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|
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50243715 Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12
BDBM50243867 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C |r,wU:5.5,2.1,3.40,wD:7.8,(-4.83,-31.63,;-3.49,-32.4,;-2.16,-31.63,;-.82,-32.4,;.52,-31.63,;.52,-30.08,;-.82,-29.3,;-2.16,-30.08,;-3.5,-30.83,;-2.48,-28.57,;-3.86,-27.96,;-5.24,-28.64,;-6.53,-27.77,;-6.41,-26.26,;-5.03,-25.58,;-3.75,-26.43,;-2.25,-26.09,;-1.52,-24.75,;-2.01,-23.27,;-.76,-22.33,;.51,-23.24,;1.97,-22.75,;.05,-24.73,;.83,-26.06,;2.34,-26.37,;3.58,-25.46,;4.98,-26.08,;5.15,-27.61,;3.92,-28.52,;2.5,-27.89,;1.1,-28.52,;.08,-27.4,;-1.46,-27.41,;-.82,-33.94,;-2.16,-34.71,;.51,-34.71,;.51,-36.25,;1.85,-33.94,;3.18,-34.71,;4.52,-33.95,;5.85,-34.72,;7.19,-33.95,;8.52,-34.72,;9.86,-33.95,;11.19,-34.73,;12.53,-33.96,;12.53,-32.42,;13.86,-34.73,;13.85,-36.27,;15.19,-37.04,;16.52,-36.27,;16.52,-34.72,;15.19,-33.95,;17.28,-33.37,;16.49,-32.03,;18.83,-33.35,;17.86,-37.04,;19.19,-36.27,;19.18,-34.74,;20.5,-33.97,;21.84,-34.74,;21.84,-36.27,;20.51,-37.04,;20.53,-38.59,;19.19,-39.36,;19.19,-40.89,;17.86,-41.66,;16.52,-40.88,;16.52,-39.34,;17.86,-38.58,;17.86,-43.2,;16.52,-43.98,;19.2,-43.98,;23.17,-33.97,;24.5,-34.73,;23.16,-32.44,)|
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
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|
BDBM50339006 Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50341243 CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
BDBM50342272 CNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM50342273 CC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
BDBM50342274 Cn1c2cccc3C(=O)c4ccccc4-c(c(C(=O)c4ccccc4)c1=O)c23
BDBM50342275 CC(=O)c1c2-c3ccccc3C(=O)c3ccc(C)c([nH]c1=O)c23
BDBM50334268 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
BDBM50334269 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2c(ccc3ccccc23)n1
BDBM50334270 CC(C)(C(O)=O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccsc1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50334272 COc1ccc(OC)c(Nc2nc(N)nc3nc[nH]c23)c1
BDBM50334271 CSc1nc(N)nc2nc[nH]c12
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,)|
BDBM50358430 CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
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|
BDBM50365426 COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
BDBM50391643 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
BDBM50386693 CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50402923 CC(C)(O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
BDBM50402924 CC(C)(CO)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
BDBM50402925 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1cccc1
BDBM50402926 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cccnc1
BDBM50402927 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccccc1
BDBM50402928 CNCc1ccc2nc(NC(=O)c3ccc(cc3)C(C)(C)C)cn2c1
BDBM50402929 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(CO)ccc2n1
BDBM50402930 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(Br)ccc2n1
BDBM50402931 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(Cl)ccc2n1
BDBM50402932 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(F)ccc2n1
BDBM50402933 Cc1ccc2nc(NC(=O)c3ccc(cc3)C(C)(C)C)cn2c1
BDBM50402934 Cc1ccc2nc(NC(=O)c3ccc(cc3)C(C)(C)C)sc2c1
BDBM50431294 O=C1NC(=S)S\C1=C/c1cccnc1
BDBM50431295 SC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
BDBM50431296 COC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(O)c(c2)C(O)=O)cc1
BDBM50431297 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2ccncc2)C1=O
BDBM50431298 OC(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2cccnc2)C1=O
BDBM50431300 OC(=O)CCCCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1=O
BDBM50431301 OC(=O)CN1C(=S)S\C(=C/c2ccncc2)C1=O
BDBM50431302 CCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O)C(O)=O
BDBM50431303 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O
BDBM50431304 [O-][N+](=O)c1ccccc1-c1ccc(C=C2SC(S)=NC2=O)o1 |w:13.13,c:18|
BDBM50431305 CCc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)o1
BDBM50431306 CCOC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(C)=O)C2=O)o1
BDBM50431307 COc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC(C)=O)C2=O)o1
BDBM50431308 COC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2F)C1=O
BDBM50431309 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2F)C1=O
BDBM50431310 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2F)C1=O
BDBM50431311 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2F)C1=O
BDBM50431312 Oc1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
BDBM50431313 CCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50431314 CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O
BDBM50431315 OC(=O)CCCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
BDBM50431316 COC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
BDBM50431317 Fc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
BDBM50431318 CSCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O
BDBM50431319 CCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O
BDBM50431320 OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2c(Cl)cccc2Cl)C1=O)C(O)=O
BDBM50431321 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2c(Cl)cccc2Cl)C1=O
BDBM50431322 CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O
BDBM50431323 CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2cc(Cl)ccc2Cl)C1=O)C(O)=O
BDBM50431324 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cc(Cl)ccc2Cl)C1=O
BDBM50431325 CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O)C(O)=O
BDBM50431326 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
BDBM50431327 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
BDBM50431328 OC(=O)CCCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O
BDBM50431329 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O
BDBM50431330 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O
BDBM50431331 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O
BDBM50431332 Clc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)c(Cl)c1
BDBM50432373 OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM139540 CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM50069517 CC(C)CCOc1cccc(c1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OC(C)Cc2c1)c1nc2ccc(F)cc2s1 |c:18|
BDBM50069518 CCCCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OC(C)Cc2c1)c1nc2ccc(F)cc2s1 |c:18|
BDBM50069519 CCCCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(C)cc2s1 |c:18|
BDBM50069520 CCCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(Cl)cc2s1 |c:17|
BDBM50069521 CCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(Cl)cc2s1 |c:16|
BDBM50069523 CCCCOc1ccc(cc1OCC)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(Cl)cc2s1 |c:20|
BDBM50069524 CC(C)(C)c1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(Cl)cc2s1 |c:16|
BDBM50069526 COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccc(F)c1)c1nc2ccc(F)cc2s1 |c:11|
BDBM50069527 CC(C)c1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc(Cl)cc1)c1nc2c(C)cc(C)cc2s1 |c:15|
BDBM50069528 CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(F)cc1)c1nc2ccc(C)cc2s1 |c:12|
BDBM50069529 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccc(F)cc2)=C(O)C1=O)c1ccc(Cl)cc1 |t:24|
BDBM50069531 Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2ccc(C)cc2s1 |c:10|
BDBM50069532 CCOc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccc(C)cc2)=C(O)C1=O)c1ccc(cc1)C(C)(C)C |t:26|
BDBM50069533 CCOc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccccc2)=C(O)C1=O)c1ccc(cc1)C(C)(C)C |t:25|
BDBM50069534 CCOc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccccc2)=C(O)C1=O)c1ccc(Cl)cc1 |t:25|
BDBM50069536 OC1=C(C(N(C1=O)c1nc2ccc(F)cc2s1)c1cccc(Cl)c1)C(=O)c1cccs1 |t:1|
BDBM50069537 CCOc1ccc2nc(sc2c1)N1C(C(C(=O)c2cccs2)=C(O)C1=O)c1ccc(C)cc1 |t:24|
BDBM50069538 COc1ccc(cc1OC)C1N(C(=O)C(O)=C1C(=O)c1ccc(C)o1)c1nc2ccc(C)cc2s1 |c:16|
BDBM50069539 COc1ccccc1C1N(C(=O)C(O)=C1C(=O)c1ccc(C)o1)c1nc2c(C)cc(C)cc2s1 |c:14|
BDBM50069541 Cc1ccc(o1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2ccc(F)cc2s1 |c:9|
BDBM50069542 Cc1cc(C)c2nc(sc2c1)N1C(C(C(=O)c2ccco2)=C(O)C1=O)c1ccccc1 |t:23|
BDBM50069543 OC1=C(C(N(C1=O)c1nc2ccc(F)cc2s1)c1cccc(F)c1)C(=O)c1ccco1 |t:1|
BDBM50069544 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)=C(O)C1=O)c1cccc(Br)c1 |t:22|
BDBM50069546 OC1=C(C(N(C1=O)c1nc2ccc(F)cc2s1)c1cccc(Br)c1)C(=O)c1ccco1 |t:1|
BDBM50069547 OC1=C(C(N(C1=O)c1nc2ccc(F)cc2s1)c1cccc(Cl)c1)C(=O)c1ccco1 |t:1|
BDBM50069548 OC1=C(C(N(C1=O)c1nc2ccc(F)cc2s1)c1ccc(Br)cc1)C(=O)c1ccco1 |t:1|
BDBM50069549 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)=C(O)C1=O)c1ccc(Br)cc1 |t:22|
BDBM50069550 COc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)=C(O)C1=O)c1ccc(Cl)cc1 |t:23|
BDBM162320 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162321 O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCCC1)-n1cnc(c1)C1CC1
BDBM162322 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162323 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(C)(O)CC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162324 CC1(O)CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
BDBM162325 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCN(C)CC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162326 CN1CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
BDBM50069525 CCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(C)cc2s1 |c:16|
BDBM50069540 CC(C)c1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc(C)o1)c1nc2c(C)cc(C)cc2s1 |c:15|
BDBM50069545 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)=C(O)C1=O)c1ccc(Cl)cc1 |t:22|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM162310 O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCOCC1)-n1cnc(c1)C1CC1
BDBM162311 CC1(O)CN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
BDBM162312 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCOCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162313 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CC(C)(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162314 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N(C)C)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162315 O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCC1)-n1cnc(c1)C1CC1
BDBM162316 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162317 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
BDBM162318 O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCC1)-n1cnc(c1)C1CC1
BDBM162319 OC1CCN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50023725 Cc1cc2c(ccnc2[nH]1)-c1ccc(s1)S(=O)(=O)NCCN
BDBM50023726 NC(=O)c1ccc(OC2CCNCC2)c2c(c[nH]c12)C#N
BDBM50023730 CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1
BDBM50023727 FC(F)(F)c1cc(NC2CC2)n2nc(NC(=O)c3cccnc3)nc2c1
BDBM50023728 NCCNS(=O)(=O)c1ccc(s1)-c1c[nH]c2ncccc12
BDBM50023729 NC[C@H](Oc1cnc(-c2ccoc2)c(c1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50069522 CCCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OCCOc2c1)c1nc2ccc(C)cc2s1 |c:17|
BDBM50069530 Cc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2ccc(F)cc2s1 |c:10|
BDBM50069535 CCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1cccs1)c1nc2ccc(C)cc2s1 |c:15|