BindingDB logo
myBDB logout

1649 SMILES Strings for Angiotensin II receptor

Compound NameSMILES String
BDBM99995 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1)c(=O)n(CC(C)(C)c1ccccc1)c2=O
BDBM99976 CCc1cc2c(s1)n(Cc1ccc(cc1OC)-c1ccccc1C#N)c(=O)[nH]c2=O
BDBM99977 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1noc(=O)[nH]1)c(=O)n(CC(=O)c1ccc(OC)c(F)c1)c2=O
BDBM8551 Clc1ccccc1CSc1nnc(o1)-c1ccncc1
BDBM19164 O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM21629 Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM21618 COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
BDBM31072 O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
BDBM31074 COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
BDBM33080 CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33081 CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33096 OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33097 CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM33098 OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM32307 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM32033 CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
BDBM50228985 CC(c1ccccc1)n1cnc2CN([C@@H](Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50229008 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C2(CCCCC2)c2ccccc2)cc1C
BDBM50229019 OC(=O)C1Cc2c(CN1C(=O)c1cccc3ccccc13)ncn2Cc1ccccc1
BDBM50228970 CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1CO)c1ccccc1
BDBM50228969 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(cc1)C(F)(F)F
BDBM50228971 OC(=O)C1Cc2c(CN1C(=O)Nc1ccccc1)ncn2Cc1ccccc1
BDBM50228972 OC(=O)C1Cc2c(CN1C(=O)COc1ccccc1)ncn2Cc1ccccc1
BDBM50228974 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1[N+]([O-])=O
BDBM50228989 COc1ccc(C)cc1Cn1cnc2CN([C@@H](Cc12)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50228991 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(cc1)[N+]([O-])=O
BDBM50228992 OC(=O)C1Cc2c(CN1C(=O)OCc1ccccc1)ncn2Cc1ccccc1
BDBM50229005 OC(=O)C1Cc2c(CN1C(=O)NCc1ccccc1)ncn2Cc1ccccc1
BDBM50228975 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(F)cc1
BDBM50228978 CC(=O)Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50228980 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50228988 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCc1ccccc1
BDBM37257 CCOC(=O)\C=C\S(=O)(=O)c1ccc(NC(C)=O)cc1
BDBM39035 CCOC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:10|
BDBM38993 CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
BDBM38921 CCSc1nnc(NC(=O)c2ccccn2)s1
BDBM38931 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
BDBM38416 Cc1cc(C)n2nc3nc(nc(-c4ccco4)c3c2n1)N1CCCCC1
BDBM50229419 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:20.21,63.65,8.8,2.2,wD:59.62,4.4,46.46,35.36,24.25,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.4,1.39,;-1.34,-.77,;,-1.54,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-5.35,-16.65,;-1.34,-5.4,;-2.41,-6.02,;-1.34,-4.17,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|
BDBM50229420 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O |wU:41.44,4.4,15.16,29.31,45.48,2.2,wD:8.7,25.27,(17.19,-2.97,;16.94,-4.18,;15.47,-4.65,;14.56,-3.83,;15.15,-6.16,;13.68,-6.63,;13.36,-8.14,;14.27,-8.97,;11.9,-8.62,;11.41,-10.08,;9.87,-10.07,;9.4,-8.6,;10.66,-7.73,;10.66,-6.19,;11.73,-5.57,;9.33,-5.41,;9.34,-3.87,;10.67,-3.1,;10.82,-1.58,;12.33,-1.27,;13.09,-2.61,;12.06,-3.74,;8,-6.18,;6.66,-5.4,;6.66,-4.38,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;,-1.54,;1.33,-3.85,;1.33,-5.39,;2.4,-6.01,;-.01,-6.16,;-.01,-7.7,;-1.34,-8.47,;-2.41,-7.86,;-1.34,-10.02,;-2.68,-10.79,;-2.68,-12.33,;-4.01,-13.1,;-4.01,-14.64,;-5.34,-15.41,;-5.35,-16.64,;-6.41,-14.8,;-0,-10.78,;1.33,-10.01,;1.33,-8.78,;2.67,-10.78,;4,-10.01,;4.89,-10.52,;-1.34,-5.4,;-1.34,-4.17,;-2.41,-6.01,;5.32,-7.71,;6.38,-8.33,;4.25,-8.32,;16.29,-7.2,;17.46,-6.82,;16.03,-8.4,)|
BDBM50229506 CCCCc1nc(CO)c(Cl)n1Cc1cc(OC)c(c(OC)c1)-c1ccccc1C(O)=O |(-.28,-19.54,;.75,-18.39,;.29,-16.94,;1.33,-15.8,;.85,-14.33,;-.61,-13.84,;-.6,-12.3,;-1.84,-11.39,;-1.67,-9.87,;.87,-11.84,;1.35,-10.37,;1.77,-13.09,;3.31,-13.1,;4.07,-14.43,;5.61,-14.43,;6.37,-15.76,;7.91,-15.76,;8.69,-14.43,;5.58,-17.1,;4.04,-17.09,;3.27,-18.42,;1.73,-18.42,;3.29,-15.76,;6.35,-18.44,;5.58,-19.76,;6.35,-21.1,;7.89,-21.1,;8.66,-19.77,;7.89,-18.44,;9.22,-17.66,;10.39,-18.65,;9.48,-16.15,)|
BDBM50229914 CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229456 CCCCc1nc(Cl)c(CNC(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50228195 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM36947 COC(=O)CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
BDBM41591 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1 |w:11.11|
BDBM41593 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
BDBM41585 CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
BDBM40197 Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
BDBM43482 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |c:20|
BDBM43484 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O |c:17|
BDBM43348 COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1
BDBM43463 COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
BDBM43465 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11|
BDBM43203 Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6|
BDBM45612 CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
BDBM45262 Clc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
BDBM45657 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
BDBM48020 [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
BDBM48833 COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
BDBM47677 [O-][N+](=O)c1cccc(c1)C(=O)N[N-][C+](c1ccccc1)c1ccccn1
BDBM46978 CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
BDBM50169 [O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccc(Cl)nn2)c1 |w:10.9|
BDBM49862 Fc1ccc(NC(=S)Nc2nccs2)cc1
BDBM50895 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
BDBM49381 Cc1cccnc1Nc1nc(cs1)-c1ccccn1
BDBM52656 CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|
BDBM52665 CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4|
BDBM52732 CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1 |c:5|
BDBM51796 CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O |c:5|
BDBM51939 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM52141 CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
BDBM51918 CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
BDBM55728 Cc1ccc2oc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1
BDBM55762 Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc(c1)[N+]([O-])=O
BDBM54798 Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
BDBM54529 Clc1ccc(cc1)C(=O)NN=Cc1ccccn1
BDBM54814 Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
BDBM54534 CC(=NNC(=O)c1ccccc1F)c1ccccn1 |w:2.2|
BDBM54819 CC(C)(C)c1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
BDBM54827 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|
BDBM54838 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
BDBM54825 CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
BDBM54849 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM54432 COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
BDBM54365 Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccccc2[N+]([O-])=O)n1 |w:13.13|
BDBM54371 Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
BDBM54335 Cc1ccc(C)c(c1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
BDBM58380 Clc1ccc(SCc2cc(=O)[nH]c(n2)-c2ccccn2)cc1
BDBM57944 Fc1ccc2nc(NC(=O)c3ccccn3)sc2c1
BDBM58385 COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(OC)c1OC
BDBM58188 Cc1ccc(NNC(=O)c2cc(nn2Cc2ccccc2)C(C)(C)C)cc1
BDBM57567 COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
BDBM57596 Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
BDBM57597 Cc1ccc2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
BDBM60275 CC(=NNC(=O)c1ccc(Cl)cc1)c1ccccn1 |w:2.2|
BDBM60277 CC(=NNC(=O)c1ccccc1Cl)c1ccccn1 |w:2.2|
BDBM60279 Brc1ccccc1C(=O)Sc1cccc2cccnc12
BDBM60285 CCCOc1cccc(c1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
BDBM60249 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N\N=C\c1ccccn1
BDBM60223 Cc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
BDBM60226 COc1cccc(c1)C(=O)NN=C(c1ccccc1)c1ccccn1
BDBM60286 CC(=NNC(=O)c1cccc(Br)c1)c1ccccn1 |w:2.2|
BDBM60251 [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccccn1
BDBM60228 CC(Oc1ccc(cc1)[N+]([O-])=O)C(=O)NN=C(C)c1ccccn1 |w:15.15|
BDBM60229 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
BDBM60234 CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|
BDBM60259 Fc1cc(F)c2nc(NC(=O)c3ccccn3)sc2c1
BDBM60262 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(=O)c1ccccn1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM60263 O=C(NN=Cc1ccccn1)c1cc(nc2ccccc12)-c1ccccc1
BDBM60373 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N |t:7|
BDBM60264 Brc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
BDBM60265 Clc1c(sc2ccccc12)C(=O)NN=Cc1ccccn1
BDBM60227 Cc1cccc(CSc2cccc3cccnc23)c1
BDBM60241 Clc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
BDBM59071 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM59072 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1
BDBM59989 CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(c1O)C(C)(C)C
BDBM59728 CCN(CC)CC(=O)c1ccc(cc1)-c1ccccc1
BDBM58565 Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
BDBM58569 Cc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2cccnc12
BDBM58588 COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12
BDBM58440 CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
BDBM58876 CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1ccc(OC)cc1
BDBM58626 Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
BDBM58709 Clc1ccc(cc1Cl)C(=O)NN=Cc1ccccn1
BDBM58705 Fc1cccc(c1)C(=O)NN=C(c1ccccc1)c1cccnc1
BDBM63210 CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+]([O-])=O
BDBM62230 [O-][N+](=O)c1cnc(Sc2ccncn2)s1
BDBM61540 CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
BDBM61541 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2Cl)cn1 |w:11.11|
BDBM66061 N=C1S\C(=C/c2ccco2)C(=O)N1c1nccs1
BDBM66072 CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)c1ccccn1 |w:2.2|
BDBM64465 COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM64173 O=C(C#Cc1ccccc1)c1ccco1
BDBM64104 [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
BDBM64647 CCC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
BDBM64720 Cc1cc(O)ccc1NC(=S)NC(=O)c1cncc(Br)c1
BDBM65098 CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1
BDBM65102 Cc1nc([nH]c(=O)c1Cc1ccccc1)-n1[nH]c2CCCCc2c1=O
BDBM65328 CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(cc1)-c1ccccc1
BDBM64943 Cc1cc(C)c2ccc(N)nc2c1O
BDBM64703 Oc1c(ccc2cccnc12)C(N1CCCC1)c1ccccc1Cl
BDBM63893 Cn1ncc2c(ON=C(N)c3ccc(cc3)C(C)(C)C)ncnc12 |w:7.6|
BDBM67280 COc1ccc(cc1)C(=O)CNc1ccccc1CO
BDBM67286 CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
BDBM67300 Cc1nnsc1C(=O)NNc1ccc(cc1)C(C)(C)C
BDBM67301 Cc1cc(no1)C(=O)NNc1ccc(C)c(C)c1
BDBM67302 CCc1ccc(cc1)C(=O)NNc1ccc(C)c(Cl)c1
BDBM67303 Clc1ccsc1C(=O)NNc1ccc(Cl)cc1
BDBM67304 Cc1noc(C)c1C(=O)NNc1ccc(C)c(Cl)c1
BDBM67305 CC(C)c1ccc(NNC(=O)c2c(C)noc2C)cc1
BDBM67306 CCc1ccc(cc1)C(=O)NNc1ccc(Cl)cc1
BDBM67307 OC(=O)c1ccccc1NCC(=O)c1ccccc1
BDBM67308 Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
BDBM67314 Clc1cccc(NCC(=O)c2ccc(Br)cc2)c1
BDBM67318 Cc1cccc2=C(Nc3ccc(Cl)cc3)C(=O)N=c12 |c:5,t:18|
BDBM67321 Cc1ccc(cc1)C(=O)CNc1cc(C)ccc1C
BDBM67325 Brc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
BDBM67327 Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1
BDBM67328 CC(=O)c1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:8,15|
BDBM67332 Oc1cccc2ccc(\C=C\c3ccccc3Cl)nc12
BDBM67337 CC(=NNC(=O)c1ccc(F)cc1)c1ccccn1 |w:2.2|
BDBM67148 ON1[C@H]2CCCC[C@H]2N(O)C1c1ccc(Cl)cc1Cl
BDBM67152 COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1
BDBM67159 CC(C)OC(=O)CN1C(=O)C(=O)c2ccccc12
BDBM67341 NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1
BDBM67342 Fc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
BDBM67343 Cc1cccc(C=NNC(=O)c2cccc(Cl)c2)n1
BDBM67162 Clc1ccc(cc1Cl)C(=O)COC(=O)c1cccnc1
BDBM67165 Clc1ccccc1C1c2ccccc2CCNC1=S
BDBM67168 Oc1cccc2ccc(\C=C\c3cccs3)nc12
BDBM67344 COc1ccccc1NCC(=O)c1ccc(Cl)cc1
BDBM67345 Cc1ccc(cc1)C(=O)CNc1ccccc1
BDBM67346 Brc1ccc(s1)C(=O)CNc1ccc(Br)cc1
BDBM67170 CC1CC2=C(CC1C=NNC(N)=S)C(C)(C)CCC2 |w:8.9,c:3|
BDBM67194 Cc1ccc(cc1)C(=O)CNc1ccc(Br)cc1
BDBM67347 COc1ccc(cc1)C(=O)CNc1cccc(F)c1
BDBM67349 Cc1ccc(NC2=c3cc(Br)ccc3=NC2=O)cc1 |c:6,14|
BDBM67350 NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1
BDBM67195 Cc1ccc(NCC(=O)c2ccccc2)cc1Cl
BDBM67205 Clc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
BDBM67387 Clc1ccc(C(=O)COC(=O)c2ccccn2)c(Cl)c1
BDBM67391 Cc1ccc2N(C(=O)C(=O)c2c1)c1ccc(Cl)cc1
BDBM67206 Brc1ccc(NCC(=O)c2ccccc2)cc1
BDBM67220 Cc1ccc(cc1)C(=O)CNc1ccc(C)c(Cl)c1
BDBM67229 Clc1ccc2[nH]c(=S)n(Cc3ccccn3)c(=O)c2c1
BDBM67240 S=C(NN=Cc1ccccc1)N1CCOCC1 |w:3.2|
BDBM67244 CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1
BDBM67270 NNc1nc(cc(n1)-c1ccccc1)-c1ccccc1
BDBM67271 Clc1ccc(cc1Cl)C(=O)COC(=O)c1ccncc1
BDBM67184 CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
BDBM67185 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)Nc1ccccc1Cl
BDBM67186 Clc1ccc(C(=O)COC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc3ncccc23)c(Cl)c1
BDBM67187 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl
BDBM67188 OCC1(CO)COC(=O)C(NNc2ccc(Cl)c(Cl)c2)=N1 |c:20|
BDBM67189 NNc1nc(cc(n1)-c1ccccc1O)-c1ccccc1
BDBM67247 Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O
BDBM67296 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)NC1CCCCC1
BDBM67297 CC(C)c1nc(C#N)c(NN)o1
BDBM67298 Oc1ccc(cc1\C=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O)[N+]([O-])=O |c:23|
BDBM67394 O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1
BDBM67397 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31|
BDBM67208 Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5Cl)nc4O3)c2c1
BDBM67249 Cc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
BDBM67250 CCOC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccccc1
BDBM67251 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)c1ccncc1
BDBM67310 Clc1cc(Cl)cc(c1)C(=O)NNc1ccc(cc1)-c1csnn1
BDBM67312 COc1ccc(cc1OC)-c1cc(nc(NN)n1)-c1ccccc1
BDBM67313 Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccncc1
BDBM67153 Fc1ccc(CC(=O)OCC(=O)c2cc3ccccc3o2)cc1
BDBM67155 COc1cccc2sc(Nc3nc(C)c(s3)C(C)=O)nc12
BDBM67157 CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 |c:17,t:1|
BDBM67158 CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1 |c:6,11|
BDBM67252 Cc1ccc(cc1)C(=O)CNc1ccccc1C
BDBM67160 CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:27,t:13|
BDBM67161 Clc1ccc(cc1Cl)C(=O)COC(=O)Cn1nnc2ccccc12
BDBM67210 Cc1ccccc1NCC(=O)c1ccc(Br)cc1
BDBM67211 Brc1ccc(cc1)C(=O)NN=Cc1ccccn1
BDBM67212 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)Cc1ccccc1
BDBM67315 NNc1nc(cc(n1)-c1ccc(Br)cc1)-c1ccccc1
BDBM67316 Cc1ccc(cc1)-c1cc(nc(NN)n1)-c1ccccc1
BDBM67213 Cc1ccc(cc1)C(=O)NCC(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM67214 Cc1cc(C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2n1
BDBM67215 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)Cc1ccccc1
BDBM67216 COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1
BDBM67217 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CCC(=O)Nc1ccccc1Cl
BDBM67256 Fc1ccc(NCC(=O)c2ccccc2)cc1
BDBM67257 CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccnc2)c1
BDBM67258 COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1
BDBM67320 COc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:7,16|
BDBM67261 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)c1cnccn1
BDBM67326 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cc2ccccc2oc1=O
BDBM67331 CCCN(CCC)c1nc(nc2ccccc12)-c1ccccn1
BDBM67166 COc1ccc2O[C@@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1
BDBM67167 COc1ccc2O[C@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1
BDBM67221 [H]C12CCC([H])(C1)C1C2C(=O)N(C(C)C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:9:8:6:3.2,THB:29:7:6:3.2|
BDBM67222 [H]C12CCC([H])(C1)C1C2C(=O)N(CC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:28:7:6:2.3,THB:9:8:6:2.3|
BDBM67223 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
BDBM67263 Nc1c(N2CCCC2)c2ccccc2oc1=O
BDBM67265 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
BDBM67333 CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
BDBM67335 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)[N+]([O-])=O |w:10.10|
BDBM67266 CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
BDBM67267 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
BDBM67268 CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1
BDBM67336 CCOc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:8,17|
BDBM67272 Clc1ccc(cc1)C(=O)C[N+]1(CC#Cc2ccccc2)CCOCC1
BDBM67275 Cc1ccc(cc1C)N=Nc1ccc(O)c2ncccc12 |w:8.8|
BDBM67276 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:6:5:10.9:2,30:9:2:7.5,THB:8:7:10.9:2,11:10:2:7.5|
BDBM67277 [O-][N+](=O)c1cccc([CH+][N-]NS(=O)(=O)c2ccccc2)c1
BDBM67340 CCOc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
BDBM67169 COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
BDBM67174 Cc1c(Cl)cccc1NC(=S)NNc1ncc(cc1Cl)C(F)(F)F
BDBM67175 OCC1(CO)COC(=O)C(NNc2cc(Cl)ccc2Cl)=N1 |c:20|
BDBM67176 Clc1ccc(C(=O)COC(=O)c2cccnc2Cl)c(Cl)c1
BDBM67178 Brc1ccc2=NC(=O)C(Nc3ccc(cc3)-c3nnc4CCCCCn34)=c2c1 |c:28,t:4|
BDBM67179 Cc1ccccc1NC(=S)NNc1ncc(cc1Cl)C(F)(F)F
BDBM67181 CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
BDBM67225 Cc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
BDBM67226 Brc1ccc2[nH]c(=S)n(Cc3ccccn3)c(=O)c2c1
BDBM67279 CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
BDBM67351 Cc1ncc(C=O)c(CNNc2ccc(cn2)C(F)(F)F)c1O
BDBM67352 Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccccn2)c(F)c1
BDBM67353 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)OCC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)C1=O |c:5,TLB:29:7:2:6.5,THB:9:8:2:6.5|
BDBM67354 CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM67355 Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM67357 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:8:7:9.10:2,11:10:2:5.7,THB:6:5:9.10:2,31:9:2:5.7|
BDBM67359 COc1ccc(OC)c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
BDBM67360 CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1
BDBM67361 COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
BDBM67362 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:23|
BDBM67363 COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM67364 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1
BDBM67365 O=C(COC(=O)c1ccco1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67370 COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NNc1nc(C)cc(C)n1
BDBM67372 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:23|
BDBM67373 CC(=NNC(=O)c1cccc2ccccc12)c1ccccn1 |w:2.2|
BDBM67374 Clc1ccccc1C(=O)NN=C(c1ccccc1)c1ccccn1
BDBM67377 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67379 Cc1cc(C)nc(NNS(=O)(=O)c2ccc(F)c(Cl)c2)n1
BDBM67380 CC(=O)Nc1cccc(c1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67381 O=C(COc1ccccc1)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67382 CC(=NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccn1 |w:2.2|
BDBM67383 Brc1ccc(o1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM67384 COc1ccc(CC(=O)OCC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
BDBM67385 CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O
BDBM67172 CC1(C)Cc2c(CS1)c(nc1sc3c(NN)ncnc3c21)N1CCOCC1
BDBM67231 CCCSc1cc(NCCOC(=O)CCC)c([N+]([O-])=O)c2nonc12
BDBM67234 COC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1
BDBM67235 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2c(C)onc2-c2ccccc2)cc1
BDBM67236 Cc1cccc(NC(=S)NNc2ncc(cc2Cl)C(F)(F)F)c1
BDBM67281 FC(F)(F)c1cnc(NNC(=S)Nc2cccnc2)c(Cl)c1
BDBM67388 Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1
BDBM67389 Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(=O)n(C)c1=O
BDBM67390 OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
BDBM67191 ClCC(=O)NNc1cccc(Cl)n1
BDBM67192 CN1C(=c2sc(=C3C(Nc4ccccc4)=NN(C3=O)c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc12 |w:2.1,6.6,c:15|
BDBM67196 FC(F)(F)c1cccc(Sc2nc(nnc2C(F)(F)F)-c2ccccc2)c1
BDBM67197 CCCCN(CCCC)C(=S)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:12.11|
BDBM67198 Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1
BDBM67200 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
BDBM67201 COc1ccc(NC2(C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1
BDBM67202 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cn1
BDBM67203 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
BDBM67282 [O-][N+](=O)c1ccc(Cl)cc1C(=O)Nc1nc(cs1)-c1ccccn1
BDBM67283 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCc1ccccc1
BDBM67284 Fc1ccc(NC(=S)NNc2ncc(cc2Cl)C(F)(F)F)c(F)c1
BDBM67285 [H]C12CCC(C)(C(C1)=NNC(=S)Nc1cccc(OC)c1)C2(C)C |w:8.9,TLB:8:6:21:3.2|
BDBM67288 CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 |w:2.2|
BDBM67289 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1cc2ccccc2o1
BDBM67290 [O-][N+](=O)c1cccc(c1)C(=O)C[n+]1ccc(cc1)-c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2n1
BDBM67292 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)c1cnccn1
BDBM67293 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)c1cnccn1
BDBM66944 CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
BDBM66945 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM66946 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
BDBM66950 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM66953 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
BDBM66727 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
BDBM66694 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
BDBM70670 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)[N+]([O-])=O)C#N |w:11.13|
BDBM76097 CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1
BDBM76098 CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1
BDBM76099 COc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc2C1)c1nnnn1CC1CCCO1
BDBM76100 CCOc1ccc2[nH]c(=O)c(CN(CCO)C(C(C)C)c3nnnn3C3CCCCC3)cc2c1
BDBM76101 CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
BDBM76102 CCC(N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC
BDBM76103 CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12 |t:9,18|
BDBM76104 CCOc1cc2[nH]c(=S)n(CC3CCCN3CC)c(=O)c2cc1OCC
BDBM76105 CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12 |t:9,18|
BDBM76106 COC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:9|
BDBM76107 CCCSc1nc(O)c(CC)c(=O)n1C(C)CC
BDBM76108 COc1ccccc1-n1c(SC)nc(O)cc1=O |(3.08,-2.31,;4.41,-1.54,;5.75,-2.31,;5.75,-3.85,;7.08,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;8.41,.77,;9.75,,;11.08,.77,;8.41,2.31,;7.08,3.08,;7.08,4.62,;5.75,2.31,;5.75,.77,;4.41,,)|
BDBM76109 CCCc1cc(no1)C(=O)Nc1sc2CCCCc2c1C(=O)OCC
BDBM76110 CCSc1nc(O)c(CC)c(=O)n1C(C)CC
BDBM76111 CCC(C)n1c(SCC=C)nc(O)c(CC)c1=O
BDBM76112 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3cc(OC)c(OC)c(OC)c3)c(=O)oc2=CC1=O |c:13,34,t:6|
BDBM76113 COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(C(C)C)c3nnnn3Cc3ccccc3)cc2c1
BDBM76114 CCOc1cc2[nH]c(=S)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OCC
BDBM76115 CCOc1cc2[nH]c(=S)n(CCN3CCC(C)CC3)c(=O)c2cc1OCC
BDBM76116 CCOc1cc2[nH]c(=S)n(CCN3CCCCC3CC)c(=O)c2cc1OCC
BDBM76117 NC(=NOS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1 |w:2.2|
BDBM76118 [O-][N+](=O)c1ccc(COc2ccc3c4CCCCc4c(=O)oc3c2)cc1
BDBM76119 COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1ccncc1)oc1ccccc21
BDBM76120 COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1cccnc1)oc1ccccc21
BDBM76121 COc1cc2c(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)oc1ccccc21
BDBM76122 Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1
BDBM76123 Cc1cc(C)c2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc2c1
BDBM76124 CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2[N+]([O-])=O)cc1
BDBM76125 CCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:24,t:4,6|
BDBM76126 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1ccccc1 |c:20,t:4,6|
BDBM76127 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCCC1 |c:27,t:7,9|
BDBM76128 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 |c:31,t:5,7|
BDBM76129 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1C1CCCCC1 |c:20,t:4,6|
BDBM76130 CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(N(C=C2C1=O)C1CCCC1)c1ccsc1 |c:15,18,t:13|
BDBM76131 Clc1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
BDBM76132 COc1ccc(CN=Nc2cc(C)nc3ccc(C)cc23)c(OC)c1 |w:8.8|
BDBM76133 COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|
BDBM76134 CCOc1cc2[nH]c(=S)n(CCCC(=O)NCc3ccccn3)c(=O)c2cc1OCC
BDBM76135 CCN(CC)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1cccnc1
BDBM76136 CSc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
BDBM76137 COc1cc(NC(=S)NC(=O)CCc2ccccc2)cc(OC)c1
BDBM76138 O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)Nc1ccc(CN2CCCCC2)cc1
BDBM76139 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(ccc2c1)N1CCN(CC1)c1ccccc1
BDBM76140 COc1cccc2sc3ccc(NCCC4CCCN4C)cc3c(=O)c12
BDBM76141 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM76142 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2cc(C)cc(C)c2s1
BDBM76143 COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM76144 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cccc2s1
BDBM76145 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Cl)cc2s1
BDBM76146 CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Br)cc2s1
BDBM76147 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(C)cccc2s1
BDBM76148 C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2c3ccccc3[nH]c2c1=O
BDBM76149 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1
BDBM76150 CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM76151 CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM76152 COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12
BDBM82433 CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(=O)c2c1
BDBM82258 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM85027 COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
BDBM99958 COc1ccccc1C(=O)Cn1c(=O)n(Cc2c(F)cc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(CC(F)(F)F)cc2c1=O
BDBM85550 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM99982 CCc1cc2c(s1)n(Cc1ccc(cc1OC)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99963 COc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2c(F)cc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
BDBM99954 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1noc([O-])n1)c(=O)n(CC(=O)c1ccccc1OC)c2=O
BDBM99971 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(O)C(C)(C)C)c2=O
BDBM99972 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(Cl)s1)c2=O
BDBM99973 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(O)c1ccc(OC)cc1)c2=O
BDBM99978 CCCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99945 Cc1ccc(CCn2c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nc(=O)o[nH]3)c3sc(CC(F)(F)F)cc3c2=O)cc1
BDBM99946 Fc1cccc(CCn2c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nc(=O)o[nH]3)c3sc(CC(F)(F)F)cc3c2=O)c1
BDBM99974 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(OC(C)=O)c1ccc(OC)cc1)c2=O
BDBM99947 Fc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
BDBM99948 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1F)c2=O
BDBM99949 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1C)c2=O
BDBM99950 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99979 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(-c1ccc(OC(C)C)cc1)c2=O
BDBM99980 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(-c1ccc3OC(C)(C)Cc3c1)c2=O
BDBM99981 CC(C)(C)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
BDBM99984 CCc1cc2c(s1)n(Cc1c(F)cc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99985 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccc(F)cc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99986 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1cc(F)ccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99987 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C1CCCCC1)c2=O
BDBM99988 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccccc1)c2=O
BDBM99955 CCc1cc2c(s1)n(Cc1ccc(cc1C)-c1ccccc1-c1noc(O)n1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99956 CCc1cc2c(s1)n(Cc1ccc(cc1F)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CCN1CCOCC1)c2=O
BDBM99989 CCO\N=C(\Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(CC)cc2c1=O)c1ccc(OC)cc1
BDBM99990 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=NOC(C)C)c1ccc(OC)cc1)c2=O
BDBM99957 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1ccc(Cl)cc1)c2=O
BDBM99991 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=NOCC=C)c1ccc(OC)cc1)c2=O
BDBM99992 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=NOC)c1ccccc1)c2=O
BDBM99993 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1cccs1)c2=O
BDBM99994 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1sccc1Br)c2=O
BDBM99959 COc1cc(F)ccc1C(=O)Cn1c(=O)n(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
BDBM99952 COc1ccc(cc1)C(=O)Cn1c(=O)n(Cc2ccc(cc2F)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1
BDBM99960 COc1cc(F)ccc1C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
BDBM99961 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C(C)(C)C)c2=O
BDBM99962 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C13CC4CC(CC(C4)C1)C3)c2=O |TLB:36:37:41:35.40.34,40:35:42:41.39.38,40:39:42:35.36.34,THB:36:35:41:42.37.38|
BDBM99964 FC(F)(F)Cc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C1CCCCC1)c2=O
BDBM99953 COc1cccc(c1)C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1
BDBM99951 COc1ccccc1C(=O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2noc(O)n2)c2sc(cc2c1=O)C1CC1
BDBM99983 CCc1cc2c(s1)n(Cc1ccc(cc1Br)-c1ccccc1-c1noc(O)n1)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O
BDBM99943 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CCc1ccc(F)cc1)c2=O
BDBM99944 FC(F)(F)Cc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CCc1ccc(Cl)cc1)c2=O
BDBM99965 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)c1nc3ccccc3n1C)c2=O
BDBM99966 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(C\C(=N\OC)C(C)(C)C)c2=O
BDBM99967 CC(C)(C)C(O)Cn1c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c2sc(cc2c1=O)C1CC1
BDBM99968 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC1(C)COC1)c2=O
BDBM99969 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC1(O)CCOCC1)c2=O
BDBM99970 CCc1cc2c(s1)n(Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1)c(=O)n(CC(=O)C(C)(C)COC(C)=O)c2=O
BDBM50004154 CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O |c:7,t:4|
BDBM50003399 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50230083 CCCCc1ncc(\C=C(/Cc2cc(OC)c(OC)c(OC)c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230095 CCCC\C(=C/c1cnc(CCCC)n1Cc1ccccc1Cl)C(O)=O
BDBM50230101 CCCCc1ncc(CCCCCC(O)=O)n1Cc1ccccc1Cl
BDBM50230102 CCCCc1ncc(CCCCC(O)=O)n1Cc1ccccc1Cl
BDBM50230107 CCCCc1ncc(\C=C(/C(Cc2ccccc2)c2cccs2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230089 CCCCc1ncc(\C=C(/Cc2ccco2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230113 CCCCc1ncc(\C=C(/Cc2ccc3ccccc3c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230115 CCCCc1ncc(\C=C(/Cc2ccc3OCOc3c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230117 CCCCc1ncc(-c2ccc(cc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50003257 CCCCc1ncc(\C=C\C(O)=O)n1Cc1ccccc1Cl
BDBM50003266 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
BDBM50003284 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1Cl
BDBM50005340 CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50005347 CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50006909 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50229504 [H][C@]1(CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)C(C)C)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50009447 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1
BDBM50009474 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1occc1C(O)=O
BDBM50009505 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229436 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1[nH]nnc1C#N
BDBM50229437 OCc1c(Cl)nc(-c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229438 CCCCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229443 CCCCc1nc(I)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229445 CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229575 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O |r,wU:44.47,28.30,48.58,8.15,59.62,2.2,69.72,wD:4.4,18.26,32.43,76.78,(6.67,-4.52,;6.33,-6.02,;4.86,-6.48,;3.73,-5.43,;4.52,-7.98,;5.65,-9.02,;7.12,-8.57,;7.46,-7.07,;8.26,-9.61,;7.92,-11.11,;6.45,-11.57,;5.21,-10.65,;3.95,-11.54,;4.41,-13.01,;5.95,-13.03,;9.73,-9.16,;10.86,-10.2,;10.52,-11.7,;12.33,-9.74,;12.67,-8.24,;11.54,-7.2,;11.72,-5.67,;10.32,-5.02,;9.27,-6.15,;10.03,-7.5,;13.46,-10.79,;14.93,-10.33,;15.27,-8.83,;16.06,-11.38,;17.53,-10.92,;18.66,-11.96,;18.32,-13.47,;20.13,-11.51,;20.47,-10,;19.34,-8.96,;17.87,-9.42,;16.74,-8.37,;17.08,-6.87,;15.95,-5.82,;18.55,-6.41,;19.68,-7.46,;21.26,-12.55,;22.73,-12.09,;23.07,-10.59,;23.87,-13.14,;25.34,-12.68,;26.47,-13.73,;26.13,-15.23,;27.94,-13.27,;29.07,-14.31,;28.73,-15.82,;27.26,-16.27,;26.92,-17.78,;25.45,-18.23,;24.32,-17.19,;25.11,-19.74,;28.28,-11.77,;29.75,-11.31,;30.88,-12.36,;30.09,-9.81,;31.56,-9.35,;31.9,-7.85,;30.77,-6.8,;33.37,-7.39,;28.96,-8.76,;27.49,-9.22,;23.53,-14.64,;22.06,-15.1,;24.66,-15.69,;15.72,-12.88,;16.85,-13.92,;14.25,-13.34,;13.12,-12.29,;3.05,-8.44,;2.71,-9.94,;1.92,-7.39,;.45,-7.85,;-.68,-6.8,;-2.15,-7.26,;-3.28,-6.22,;-4.75,-6.67,;-5.09,-8.18,;-3.96,-9.22,;-2.49,-8.76,;.11,-9.35,;-1.36,-9.81,;1.24,-10.4,)|
BDBM50009338 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|
BDBM50229461 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(N)=O
BDBM50009714 CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
BDBM50009718 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50009719 CCCc1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50229446 CCCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229447 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccc(cc1)C(O)=O
BDBM50229448 CCCCc1nc(Cl)c(CNC(=O)NC(C)c2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229450 CCCCc1nc(Cl)c(\C=N\NS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229451 CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1[nH]nnc1F
BDBM50229452 CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229453 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229454 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229457 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cc(ccc1-c1nn[nH]n1)C#N
BDBM50229459 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccc(OC)cc1-c1nn[nH]n1
BDBM50229460 CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccc(cc1)-c1nn[nH]n1
BDBM50229470 CCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229471 CCCCc1nc(Cl)c(CNC(=O)NC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229477 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
BDBM50229478 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(C)c1C(O)=O
BDBM50010359 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50010361 Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
BDBM50011970 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C(O)=O
BDBM50011971 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1O
BDBM50011974 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
BDBM50011975 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1Cl)C(O)=O
BDBM50011976 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)[N+]([O-])=O
BDBM50011977 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50011978 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(O)c(C)c1
BDBM50015270 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50228200 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:60.62,56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
BDBM50229009 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccnc1
BDBM50032362 CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50031948 CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031949 Cc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
BDBM50031950 CCOC(=O)c1c(C)nc(C)cc1NCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031951 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:31|
BDBM50031952 CCCCC(=O)N(Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
BDBM50031953 CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1
BDBM50031954 Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1
BDBM50031955 CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
BDBM50031956 CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
BDBM50031957 CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
BDBM50031958 CCCCC(=O)N(Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1)[C@@H](C(C)C)C(O)=O |c:21|
BDBM50031959 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031960 CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1
BDBM50031961 CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031962 CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031963 CCOC(=O)c1c(C)nc(C)cc1OCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031964 CCc1cc(NCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)n2nccc2n1
BDBM50031965 CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2cc(ccc2n1)C(O)=O
BDBM50031966 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
BDBM50031491 CCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(O)=O)cc1
BDBM50031530 CCCCc1nc(SC)c(C([O-])=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC
BDBM50031537 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC
BDBM50030681 CCCCC(=O)Nc1ccc(c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
BDBM50030682 CCCCc1nn(-c2cc(NC(=O)c3ccco3)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030683 CCCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
BDBM50030684 CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030685 CCCCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030686 CCCCc1nn(-c2cc(NC(=O)COCC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030687 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
BDBM50030688 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)CC(C)(C)C
BDBM50030689 CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030690 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030691 CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2cc(F)ccc2F)c1=O
BDBM50030692 CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1Cl
BDBM50030693 CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)C)c1=O
BDBM50030694 CCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030695 CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030696 CCCCNC(=O)c1ccc(Br)c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030697 CCCCNC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)c1=O
BDBM50030698 CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030699 CCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030700 CCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030701 CCCCNC(=O)c1ccc(c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
BDBM50030702 CCCCc1nn(-c2cc(ccc2Cl)C(=O)NCCC)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030703 CCCCNC(=O)c1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030704 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1cc(Cl)ccc1Cl
BDBM50030705 CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(C)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030706 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1F
BDBM50030707 CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)c1=O
BDBM50030708 CCOCC(=O)Nc1ccc(Cl)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030709 CCCCC(=O)Nc1ccc(c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O)C(F)(F)F
BDBM50030710 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
BDBM50030711 CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030712 CCCc1nn(-c2cc(NC(=O)COCC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030713 CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030715 CCCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030717 CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030718 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC
BDBM50030719 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030720 CCCc1nn(-c2cc(NC(=O)c3ccccc3)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030721 CCCCNC(=O)c1ccc(Br)c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2cc(Cl)ccc2Cl)c1=O
BDBM50030722 CCCCc1nn(-c2cc(ccc2Cl)C(=O)NCCOC)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030723 CCC(=O)Nc1ccc(Br)c(c1)-n1nc(CC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030724 CCCCC(=O)c1ccc(Cl)c(c1)-n1nc(CCCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030725 CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)C
BDBM50030726 CCCNC(=O)c1ccc(c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)c1=O)C(F)(F)F
BDBM50030727 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
BDBM50030728 CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030729 CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030730 CCCCC(=O)Nc1ccc(Br)c(c1)-n1nc(CCC)n(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)c1=O
BDBM50030732 CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50030742 CCCCN1C(=O)NC(=O)C1=Cc1cnc(CCCC)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |w:11.12|
BDBM50030748 CCCCN1C(=O)N(Cc2csc(C)n2)\C(=C/c2cnc(CCCC)n2Cc2ccc(cc2)C2(CCCC2)C(O)=O)C1=O
BDBM50030753 CCCCN1C(=O)N(CCCC)\C(=C/c2cnc(CCCC)n2Cc2ccc(cc2)C(=O)OC)C1=O
BDBM50035398 CN1CCC[C@H]1c1cc(C)no1 |r|
BDBM50035429 CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50040439 Cc1nc(C)c2CCC(=O)N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1
BDBM50039342 CCCc1nc(C)n2[nH]c(=O)nc2c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50038189 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
BDBM50043030 OC(=O)C1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043032 OC(=O)C1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1
BDBM50043280 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
BDBM50041969 CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50042235 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
BDBM50041702 CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50230778 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(N)=O
BDBM50230759 CC(C)Cc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230761 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1OC
BDBM50230774 CCCCc1ncc(\C=C(/Cc2ccccc2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230782 CCCCc1ncc(\C=C(/Cc2cccs2)C(=O)OCC)n1Cc1ccc(cc1)C(=O)OCC
BDBM50044739 CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50046078 CCCCc1nc(CCCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
BDBM50049206 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50049178 CCCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50049207 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)OC
BDBM50049209 CCCCc1nc(CCCC)n(Cc2ccc(nc2)-c2ccccc2-c2nnn[nH]2)n1
BDBM50049210 CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(NC(=O)c4c(Cl)ccc(Cl)c4C(O)=O)cc3)c2c1
BDBM50049180 CCCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1
BDBM50049181 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)cc1
BDBM50049182 COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50049186 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
BDBM50049188 CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50049189 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50049190 CCCCOC(=O)NS(=O)(=O)c1ccc(cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1)-c1cccc(OC)c1
BDBM50049116 CCCc1nc(CC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50049192 OC(=O)[C@@H]1Cc2cc(ccc2CN1C(=O)C(c1ccccc1)c1ccccc1)-c1ccccc1
BDBM50049193 CCCc1ccc2c(c1)-c1ccc(Cn3c(CCC)nc4ccc(NCCCCCCC(=O)NS2(=O)=O)cc4c3=O)cc1
BDBM50049195 CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50049199 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(c1ccccc1)c1ccccc1
BDBM50049202 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1)C(O)=O
BDBM50049204 CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
BDBM50049481 CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C1=O
BDBM50048069 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1
BDBM50048076 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cc(Cl)c(cc1Cl)C(O)=O
BDBM50048078 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(Cl)c1
BDBM50048112 NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048113 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048114 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048115 CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)SS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50048116 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048117 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50048118 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048119 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048120 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048121 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048122 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS[C@H]1C[C@H](N(C1)C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048123 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048124 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048125 NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50048127 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50047826 CCCCc1nnc(SCc2ccccc2C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50048132 CNCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50052110 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052101 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052102 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052103 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC(=O)N[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50052104 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC(=O)N[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052105 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052106 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSS[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052108 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCSS[C@@H]2C[C@@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50052109 CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50056302 CCCCn1ncc(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50058655 CCN(CC)C(=S)SSC(=S)N(CC)CC
BDBM50061921 Cc1ccc(cc1)S(=O)(=O)Nc1nc(cs1)-c1ccccc1
BDBM50067536 Cc1nc(C)c2c(O)cc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1
BDBM50091105 Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
BDBM50089981 O=C1N(Cc2ccccc2)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C11CCCC1
BDBM50089982 Cc1ccc(cc1)N1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
BDBM50089983 CCCCN1N(Cc2ccc(cc2)-c2ccccc2)C(=O)C2(CCCC2)C1=O
BDBM50089984 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O
BDBM50089985 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(C)(C)C)C(=O)C2(CCCC2)C1=O
BDBM50089986 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C)(CCCC)C1=O
BDBM50089987 CCCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O
BDBM50089988 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)NC2CCCCC2)C(=O)C2(CCCC2)C1=O
BDBM50089989 O=C1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)N(C(=O)C11CCCC1)c1ccccc1
BDBM50089990 CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O
BDBM50089991 CCCCN1N(Cc2ccc(cc2)C(=O)Nc2ccccc2C(O)=O)C(=O)C2(CCCC2)C1=O
BDBM50089992 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C)(C)C1=O
BDBM50089993 CCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O
BDBM50089994 CCCCN1N(Cc2ccc(cc2)C(=O)Nc2cccc(c2)C(O)=O)C(=O)C2(CCCC2)C1=O
BDBM50089995 CCCCN1N(Cc2ccc(cc2)-c2ccccc2C#N)C(=O)C2(CCCC2)C1=O
BDBM50089996 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)CCCC)C(=O)C2(CCCC2)C1=O
BDBM50089997 CCCCN1N(Cc2ccc(cc2)-c2ccccc2C(O)=O)C(=O)C2(CCCC2)C1=O
BDBM50089998 CCCCN1N(Cc2ccc(cc2)C(=O)c2ccccc2C(O)=O)C(=O)C2(CCCC2)C1=O
BDBM50089999 CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(N)(=O)=O)C(=O)C2(CCCC2)C1=O
BDBM50090000 CCCCN1N(Cc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)C(=O)C2(CCCC2)C1=O
BDBM50115794 Cc1nc(nc2N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)C(=O)CCc12)C(O)=O
BDBM50115795 OCc1nc(CO)c2ccc(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1
BDBM50115796 Cc1nc2N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)C(=O)CCc2c(n1)C(O)=O
BDBM50117909 CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1
BDBM50117910 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(CN2CCC(C)(C)C2=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C |t:4|
BDBM50119657 CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O
BDBM50119658 CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O
BDBM50128500 CC(O)CCC(=O)N([C@@H](C(C)C)C(O)=O)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50128502 OCc1nc2N(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)C(=O)CCc2c(n1)C(O)=O
BDBM50139783 CCSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50139784 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2N[C@@H](Cc3ccc(O)cc3)C(=O)N(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)Cc2c1
BDBM50139786 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1ccc2N[C@@H](Cc3ccc(O)cc3)C(=O)N(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)Cc2c1
BDBM50139787 CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1ccc2N[C@@H](Cc3ccc(O)cc3)C(=O)N(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)Cc2c1
BDBM50139788 CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2N[C@@H](Cc3cnc[nH]3)C(=O)N(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)Cc2c1
BDBM50141043 CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50141044 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(CC)C(C)=O)cc1
BDBM50141045 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(Cc2ccccc2)C(=O)c2cccs2)cc1
BDBM50141046 CCCCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50141047 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1cc(CC(C)C)sc1S(=O)(=O)NC(=O)OCC(C)C
BDBM50141048 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(CC)C(=O)c2cccs2)cc1
BDBM50141049 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1cc(CC(C)C)sc1S(=O)(=O)NC(=O)OCCC1CCCC1
BDBM50141050 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(CC)C(=O)c2ccccc2)cc1
BDBM50141051 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(NC(C)=O)cc3c2=O)cc1
BDBM50141052 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1cc(CC(C)C)sc1S(=O)(=O)NC(=O)C(c1ccccc1)c1ccccc1
BDBM50141054 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(Cc2ccccc2)C(C)=O)cc1
BDBM50141055 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)[N+]([O-])=O)cc1
BDBM50141056 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(Cc2ccccc2)C(=O)c2ccccc2)cc1
BDBM50141057 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(NC(=O)c4cccs4)cc3c2=O)cc1
BDBM50141058 CCCCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50141059 CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50141060 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(NC(=O)c4ccccc4)cc3c2=O)cc1
BDBM50141061 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(cc3c2=O)N(Cc2ccccc2)C(=O)CCCC)cc1
BDBM50156166 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1Cc1ccc(cc1)-n1ccnc1
BDBM50156167 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2C)cc1
BDBM50156168 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc3ccccc23)cc1
BDBM50156170 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1Cc1ccc(cc1)C#N
BDBM50156171 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C#N
BDBM50156172 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3ccccc23)cc1
BDBM50156173 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50156174 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc3cccnc23)cc1
BDBM50156175 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(CC#N)cc1
BDBM50156176 CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CS[C@H]2C[C@@](Cc3ccc(O)cc3)(NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N12
BDBM50156177 CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CS[C@@H]2C[C@@](Cc3ccc(O)cc3)(NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N12
BDBM50156178 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50168423 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
BDBM50168424 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
BDBM50168425 C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
BDBM50168428 CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50171923 OC(C(=O)c1ccco1)c1ccco1
BDBM50175502 CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1C)-c1ncco1)C(=O)CC(C)(C)C
BDBM50175506 CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2CCOc2c1
BDBM50175585 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50175586 CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50175587 N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50175523 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C |t:4|
BDBM50175584 CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50187377 CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
BDBM50195696 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-c2c(-[#6]-c3ccc(-[#8])cc3)cc(-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)cc2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](-[#8])=O)-[#6]-1=O
BDBM50195697 CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:25.33,70.73,4.3,2.2,wD:53.54,36.37,21.22,66.70,(14.02,-9.64,;14.01,-11.18,;12.68,-11.94,;11.35,-11.17,;12.67,-13.48,;11.16,-13.15,;9.94,-14.11,;8.6,-13.34,;8.6,-11.8,;7.26,-11.03,;7.27,-9.49,;5.93,-8.73,;4.6,-9.5,;3.26,-8.73,;4.61,-11.05,;5.95,-11.81,;7.28,-14.11,;7.28,-15.65,;5.96,-16.41,;4.62,-15.64,;4.62,-14.1,;3.28,-16.41,;1.95,-15.64,;.62,-16.41,;.62,-17.95,;-.72,-15.64,;-.72,-14.1,;-2.05,-13.33,;-2.05,-11.79,;-3.38,-11.02,;-3.38,-9.48,;-4.71,-8.71,;-2.05,-8.71,;-2.05,-16.41,;-3.38,-15.64,;-3.38,-14.1,;-4.71,-16.41,;-6.05,-15.64,;-4.71,-17.95,;-6.05,-18.72,;-7.39,-17.95,;-6.05,-20.26,;3.28,-17.95,;1.95,-18.72,;4.62,-18.72,;8.61,-16.42,;9.94,-15.65,;11.15,-16.63,;12.67,-16.28,;13.62,-17.48,;15.16,-17.51,;15.91,-18.86,;15.96,-16.19,;17.5,-16.21,;18.65,-17.24,;18.55,-18.78,;19.77,-19.74,;19.16,-21.18,;17.62,-21.06,;17.26,-19.56,;18.25,-14.87,;17.46,-13.55,;19.79,-14.86,;20.14,-16.33,;21.66,-16.52,;22.26,-15.08,;21.07,-14.07,;21.07,-12.53,;19.73,-11.76,;22.4,-11.75,;22.43,-10.22,;21.11,-9.42,;21.13,-7.87,;22.48,-7.13,;22.51,-5.6,;21.19,-4.8,;19.85,-5.53,;19.81,-7.08,;23.77,-9.47,;23.8,-7.93,;25.09,-10.26,;13.34,-14.88,;14.88,-14.88,)|
BDBM50195698 CC[C@H](C)[C@@H]1Nc2c(Cc3ccc(O)cc3)cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc2CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |wU:32.33,4.3,2.2,63.66,wD:21.29,46.47,59.63,(14.77,-5.6,;13.95,-6.91,;12.41,-6.86,;11.69,-5.5,;11.6,-8.16,;10.09,-7.83,;8.87,-8.79,;7.53,-8.02,;7.53,-6.48,;6.19,-5.71,;6.2,-4.17,;4.85,-3.41,;3.53,-4.18,;2.19,-3.41,;3.54,-5.73,;4.87,-6.49,;6.21,-8.79,;6.21,-10.32,;4.87,-11.09,;3.54,-10.32,;3.54,-8.78,;2.2,-11.09,;2.2,-12.63,;3.54,-13.4,;3.54,-14.94,;4.87,-15.71,;4.87,-17.25,;6.21,-18.02,;3.54,-18.02,;.87,-10.32,;-.46,-11.09,;-.46,-12.63,;-1.8,-10.32,;-3.13,-11.09,;-1.8,-8.78,;-3.13,-8.01,;-4.46,-8.78,;-3.13,-6.47,;7.54,-11.1,;8.87,-10.33,;10.08,-11.31,;11.6,-10.96,;12.55,-12.16,;14.09,-12.11,;14.92,-13.39,;14.81,-10.72,;16.34,-10.65,;17.53,-11.64,;17.47,-13.18,;18.76,-14.05,;18.26,-15.53,;16.72,-15.53,;16.25,-14.07,;17.09,-9.31,;16.31,-8,;18.62,-9.3,;19.15,-10.73,;20.69,-10.73,;21.12,-9.23,;19.81,-8.37,;19.05,-7.02,;17.51,-7,;19.83,-5.69,;19.11,-4.35,;17.56,-4.3,;16.83,-2.94,;17.63,-1.63,;16.91,-.28,;15.37,-.23,;14.55,-1.54,;15.29,-2.89,;19.9,-3.03,;19.17,-1.68,;21.45,-3.07,;12.27,-9.56,;13.81,-9.56,)|
BDBM50199311 CCCCOC(=O)NS(=O)(=O)c1ccc(OCCCC)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199312 CCCCOC(=O)NS(=O)(=O)c1sc(CCCC)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199313 CCCCOC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199314 CCCCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199315 CC(C)COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199316 CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199317 CCCCc1ccc(c(c1)-c1ccc(Cn2ccnc2)cc1)S(=O)(=O)NC(=O)OCC
BDBM50199318 CCCCN(C)C(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199319 CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OCCCC(F)(F)F)-c1ccc(Cn2ccnc2)cc1
BDBM50199320 CCCCS(=O)(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199321 CCCCOC(=O)NS(=O)(=O)c1ccc(CCCC)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199322 CCCCS(=O)(=O)NC(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199323 CCCCOC(=O)NS(=O)(=O)c1sc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199324 CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OC(C)C)-c1ccc(Cn2ccnc2)cc1
BDBM50199325 CCCCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199326 CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199327 CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OC(C)(C)C)-c1ccc(Cn2ccnc2)cc1
BDBM50199328 COCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199329 CC(C)Cc1cc(c(s1)-c1nnn[nH]1)-c1ccc(Cn2ccnc2)cc1
BDBM50199330 CCCCOC(=O)NS(=O)(=O)c1sc(CCOC)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199331 CCCCOCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50199332 CCCCOC(=O)NS(=O)(=O)c1sc(CCC)cc1-c1ccc(Cn2ccnc2)cc1
BDBM50208096 OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cn2ccnc2)c1
BDBM50208097 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O
BDBM50208098 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2ccnc2)c1)C(O)=O
BDBM50208099 CC[C@@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(O)=O
BDBM50208100 OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cc2cnc[nH]2)c1
BDBM50208101 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(O)=O
BDBM50208102 CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O |wU:8.17,24.32,60.63,47.47,2.2,wD:4.4,20.21,64.66,35.36,(17.7,-20.36,;17.7,-18.82,;16.36,-18.05,;15.03,-18.83,;16.36,-16.51,;15.03,-15.75,;13.7,-16.52,;13.7,-18.06,;12.37,-15.76,;12.36,-14.22,;13.7,-13.44,;15.03,-14.21,;16.36,-13.44,;16.35,-11.9,;17.69,-11.13,;15.01,-11.13,;13.68,-11.91,;11.04,-16.53,;9.71,-15.77,;9.7,-14.23,;8.38,-16.54,;7.05,-15.77,;5.72,-16.54,;5.72,-18.08,;4.39,-15.78,;4.38,-14.24,;3.05,-13.47,;3.04,-11.93,;1.71,-11.17,;1.71,-9.63,;.37,-8.86,;3.04,-8.85,;3.06,-16.55,;1.73,-15.79,;1.72,-14.25,;.4,-16.56,;-.94,-15.79,;.4,-18.1,;-.93,-18.87,;-.93,-20.41,;-2.27,-18.1,;8.38,-18.08,;7.05,-18.85,;9.72,-18.84,;17.69,-15.74,;17.68,-14.2,;19.02,-16.5,;20.35,-15.73,;20.34,-14.19,;21.39,-13.06,;21.08,-11.55,;22.42,-10.8,;23.55,-11.84,;22.91,-13.24,;21.68,-16.5,;21.68,-18.04,;23.01,-15.72,;23.17,-14.19,;24.67,-13.86,;25.44,-15.19,;24.42,-16.34,;24.88,-17.81,;23.84,-18.94,;26.38,-18.15,;26.84,-19.62,;25.51,-20.4,;25.53,-21.94,;24.2,-22.71,;24.22,-24.25,;25.56,-25.01,;25.57,-26.55,;26.89,-24.22,;26.87,-22.68,;28.34,-19.95,;28.81,-21.42,;29.39,-18.82,)|
BDBM50208103 N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50208104 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50208105 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2ccnc2)c1
BDBM50208106 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2cnc[nH]2)c1)C(O)=O
BDBM50208107 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2cnc[nH]2)c1
BDBM50208109 CC[C@@H](C)[C@H](NC(=O)c1cccc(Cc2cnc[nH]2)c1)C(O)=O
BDBM50227494 O=S(=O)(Nc1cccc2cccnc12)c1ccccc1
BDBM50236697 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:4.4,47.47,60.63,35.36,20.21,wD:2.2,24.32,8.17,64.66,(24.13,1.24,;24.1,-.31,;25.42,-1.09,;26.77,-.35,;25.4,-2.63,;24.05,-3.38,;22.73,-2.59,;22.75,-1.05,;21.38,-3.34,;21.36,-4.88,;22.68,-5.66,;24.01,-4.93,;25.33,-5.71,;25.32,-7.24,;26.64,-8.05,;23.97,-8.01,;22.65,-7.22,;20.06,-2.55,;18.71,-3.29,;18.68,-4.83,;17.38,-2.5,;16.04,-3.25,;14.72,-2.46,;14.74,-.92,;13.37,-3.2,;13.34,-4.74,;14.66,-5.53,;14.64,-7.08,;15.96,-7.87,;15.93,-9.4,;14.59,-10.16,;17.25,-10.21,;12.05,-2.42,;10.69,-3.15,;10.67,-4.69,;9.37,-2.36,;8.03,-3.1,;9.4,-.82,;10.75,-.07,;12.07,-.88,;10.78,1.47,;17.41,-.96,;18.76,-.21,;16.1,-.17,;26.72,-3.43,;26.69,-4.97,;28.07,-2.68,;29.38,-3.48,;30.73,-2.73,;30.75,-1.19,;29.53,-.27,;30.03,1.18,;31.57,1.17,;32.02,-.31,;29.35,-5.02,;28.01,-5.76,;30.54,-5.79,;31.99,-5.25,;32.95,-6.46,;32.1,-7.74,;30.62,-7.33,;29.33,-8.36,;27.89,-7.82,;29.58,-9.88,;28.39,-10.86,;26.95,-10.32,;25.76,-11.3,;26.02,-12.81,;24.84,-13.79,;23.4,-13.26,;23.14,-11.74,;24.32,-10.75,;28.64,-12.38,;27.45,-13.36,;30.08,-12.92,)|
BDBM50240609 CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50258831 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(OC)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCN(C)CC1)[C@@H](C)O |r|
BDBM50258827 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCOCC1)[C@@H](C)O |r|
BDBM50258824 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(O)=O)[C@@H](C)O |r|
BDBM50258828 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)N1CCN(C)CC1)[C@@H](C)O |r|
BDBM50258825 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCN(C)C)[C@@H](C)O |r|
BDBM50258829 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCNC(=O)CN(C)C)[C@@H](C)O |r|
BDBM50258832 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(OC)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCCN1CCOCC1)[C@@H](C)O |r|
BDBM50258830 CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NCCNC(=O)CN1CCOCC1)[C@@H](C)O |r|
BDBM50280907 OC(=O)[C@@H]1CN(CCN1C(=O)N(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1
BDBM50280912 CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1
BDBM50283764 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OC(C)(C)C
BDBM50283765 CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)OCC
BDBM50283766 CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1F
BDBM50282362 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c2ccccc12
BDBM50282364 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(Cc1ccc(F)cc1)C(O)=O
BDBM50282365 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(=O)OC
BDBM50282366 CCCCC(=O)N(CC(O)=O)Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50282367 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@H](C)C(O)=O
BDBM50282368 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(N)=O
BDBM50282369 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@H](CO)C(C)C
BDBM50282370 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](CC1CCCCC1)C(O)=O
BDBM50282371 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@H](C(C)C)C(O)=O
BDBM50282372 CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C)C(O)=O
BDBM50282395 COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)Cc1c(Cl)cccc1Cl
BDBM50282396 CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50282397 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ccc(OC)c2Oc1ccc(cc1)[N+]([O-])=O
BDBM50282398 COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1
BDBM50282399 COc1cc2CN(C(Cc2cc1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50282400 COc1ccc2CN(C(Cc2c1Oc1ccc(N)cc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50282401 COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C([O-])=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50282402 COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50282403 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ccc(OC)c2Oc1ccc(N)cc1
BDBM50282404 COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(C1CCCC1)c1ccccc1
BDBM50282405 COc1ccc(NC(=O)N2Cc3ccc(OC)c(OCc4ccccc4)c3CC2C(O)=O)cc1
BDBM50282406 COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)Nc1ccc(F)cc1
BDBM50282407 COc1ccc2CN(C(Cc2c1OCc1ccccc1)C(O)=O)C(=O)N(C)c1ccccc1
BDBM50282408 COc1ccc(COc2c(OC)ccc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50282409 COc1ccc2CN(C(Cc2c1OCc1ccc(cc1)C(O)=O)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50282410 COc1ccc2CN(C(Cc2c1OCCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
BDBM50282411 CCOC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ccc(OC)c2OCc1ccccc1
BDBM50282416 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
BDBM50282613 CC1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:6|
BDBM50283300 CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283301 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3ccc(NC(=O)N4CCOCC4)cc3c2=O)c(F)c1
BDBM50283302 CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50282730 CCCC1=NC2(CCOCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:3|
BDBM50282731 CCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 |t:3|
BDBM50282732 CCCC1=NC2(CCSCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:3|
BDBM50282733 CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 |t:4|
BDBM50282734 CCCC1=NC(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 |t:3|
BDBM50282735 CCCC1=NC2(CCSCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1 |t:3|
BDBM50282736 CCCC1=NC(C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)(c1ccccc1)c1ccccc1 |t:3|
BDBM50282737 CCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:3|
BDBM50282738 CCCC1=NC(C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)(C(F)(F)F)C(F)(F)F |t:3|
BDBM50282739 O=C1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=NC1(c1ccccc1)c1ccccc1)c1ccccc1 |c:24|
BDBM50282740 CCCC1=NC2(CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:3|
BDBM50282741 CCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:3|
BDBM50283303 CN(C)C(=O)Nc1ccc2nc(C)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1
BDBM50283304 CC(C)CCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1
BDBM50283305 CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)c1ccc(CC)cc1F
BDBM50283306 CC(C)CCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(=O)NC(C)C)cc3c2=O)c(F)c1
BDBM50283307 CCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)COCC(C)C
BDBM50283308 [#6]-[#6]-c1nc2ccc(-[#7]-[#6](=O)-[#7](-[#6])-[#6](-[#6])-[#6])cc2c(=O)n1-[#6]-c1ccc(cc1F)-c1ccccc1S(=O)(=O)[#7]-[#6](=O)-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50283309 CCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
BDBM50283310 CCc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1
BDBM50282742 CCCC1=NC(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:3|
BDBM50282743 CC1=NC(C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)(c1ccccc1)c1ccccc1 |t:1|
BDBM50283311 CCc1nc2ccc(NC(=O)c3ccccn3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283312 CCc1ccc(C(=O)NS(=O)(=O)c2ccccc2-c2ccc(Cn3c(CC)nc4ccc(NC(=O)NC(C)C)cc4c3=O)c(F)c2)c(F)c1
BDBM50283313 CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3F)c(=O)c2c1
BDBM50283314 CCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283315 CCNC(=O)Nc1ccc2nc(CC)n(Cc3ccc(cc3F)-c3ccccc3S(=O)(=O)NC(=O)OCCC3CC3)c(=O)c2c1
BDBM50283316 CCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)COCC(C)C
BDBM50283317 CCCc1nc2ccc(NC(=O)N3CCOCC3)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283318 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)N(C)C(C)C)cc3c2=O)c(F)c1
BDBM50285349 CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2Cl)cc1
BDBM50283319 CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC1CC1
BDBM50282478 CCCCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1
BDBM50282484 CCc1nc2c(C)cc(C)nc2n1C1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1
BDBM50283159 CCCc1nc(CN2CCN(CC2)c2ccccc2OC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283160 CCCCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CN3CCN(CC3)c3ccccn3)c2C(O)=O)cc1
BDBM50283161 CCCc1nc(C(=O)N2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283162 CCCCN(Cc1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)CCC)c1C(O)=O)C(=O)CCC
BDBM50283163 CCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50284295 CCCCc1ncc(CNCC(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50284297 CCCCc1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50284298 CCCCc1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50284641 COC(=O)c1ccc(CN(C(=O)c2ccccc2)c2ccc3ncn(Cc4ccc(cc4)-c4ccccc4-c4nnnn4C)c(=O)c3c2)cc1
BDBM50284642 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2cccnc2)C(=O)c2ccccc2)cc1
BDBM50283164 CCCCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283165 CCCc1nc(CN2CCN(CC2)c2ccc(F)cc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283166 CCCc1nc(CN2CCN(CC2)C(=O)C(c2ccccc2)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283167 CCCc1nc(CN(Cc2ccccc2)C(=O)OCC(C)C)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283168 CCCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CC1
BDBM50283169 CCCc1nc(CN2CCN(CC2)c2ccccn2)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283170 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CN3CCN(CC3)c3ccccn3)c2C(O)=O)cc1
BDBM50283171 CCCc1nc(CN2CCN(CC2)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283172 CCCc1nc(CN2CCN(CC2)C(=O)C2CC2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283173 CCCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
BDBM50283174 CCCCCN(CCCCC)Cc1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(O)=O
BDBM50283175 CCCc1nc(CN2CCN(CC2)C(=O)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283176 CCCc1nc(CN(Cc2ccccc2)C(=O)Nc2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283177 CCCc1nc(CN(CC(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283178 CCCCN(Cc1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c1C(O)=O)Cc1ccccc1
BDBM50283179 CCCc1nc(CN2CCN(C[C@H]2C)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283180 CCCc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283181 CCCc1nc(CNC(=O)OC(C)(C)C)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283182 CCCc1nc(CN2CCN(CC2)c2ccccn2)c(C(O)=O)n1Cc1ccc(cc1F)-c1ccccc1-c1nnn[nH]1
BDBM50283183 CCCc1nc(CN2CCN(CC2)c2ncccn2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283758 CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
BDBM50283184 CCCc1nc(CN2CCN(CC2)c2ccccn2)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283185 CCCc1nc(CN2CCN(CC2)c2ccccc2Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283186 CCCc1nc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283187 CCCc1nc(CN2CCN(C[C@H]2Cc2ccccc2)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283188 CCCc1nc(CN2CCC(CC2)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283189 CCCc1nc(CN(Cc2ccccc2)C(=O)Cc2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283190 CCCc1nc(CN(Cc2ccccc2)C(=O)c2ccccc2)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C
BDBM50283191 CCCc1nc(CC)c(C(=O)OCC#CC(=O)N(c2ccccc2)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283192 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283193 CCCc1nc(CC)c(C(=O)OCc2ccc(cc2)C(=O)N(c2ccccc2)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283194 CCCc1nc(CC)c(C(=O)OCCCOc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283195 CCCCN(CCCC)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283196 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OCCc1ccccc1
BDBM50283197 CCCCCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2OC)c(F)c1
BDBM50283198 CCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2cccc(c2)C(=O)c2ccccc2)c(F)c1
BDBM50283199 CCCc1nc(CC)c(C(=O)OCc2cccc(c2)C(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283200 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2C(=O)c2ccccc2)c(F)c1
BDBM50283201 CCCc1nc(CC)c(C(=O)OCCC(=O)Nc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283202 CCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2-c2ccsc2)c(F)c1
BDBM50283203 CCCCN(Cc1ccccc1)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283204 CCCc1nc(CC)c(C(=O)OCCCS(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283205 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)OC
BDBM50283206 CCCc1nc(CC)c(C(=O)OCc2ccc(cc2)-c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283207 CCCc1nc(CC)c(C(=O)OCc2ccccc2S(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283208 CCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2-c2cccs2)c(F)c1
BDBM50283209 CCCc1nc(CC)c(C(=O)OCCN(C(=O)OCCC(C)C)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283210 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283211 CCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2-c2cncnc2)c(F)c1
BDBM50283212 CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2cccs2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283213 CCCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCCC(=O)Nc2ccccc2)c(F)c1
BDBM50283214 CCCc1nc(CC)c(C(=O)OCCCSc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283215 CCCc1nc(CC)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283216 CCCc1nc(CC)c(C(=O)NCc2ccccc2S(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283217 CCCc1nc(CC)c(C(=O)NCCCOc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283218 CCCc1nc(CC)c(C(=O)OCc2ccc(cc2)C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283219 CCCc1nc(CC)c(C(=O)OCCCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283220 CCCc1nc(CC)c(C(=O)OCc2ccccc2NC(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283221 CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283763 CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(cc1F)-c1cc(CCC)ccc1S(=O)(=O)NC(=O)c1ccccc1Cl
BDBM50282821 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C1(C)CC2CCCN2O1
BDBM50283222 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)C(C)(C)C)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283223 CCCc1nc(CC)c(C(=O)OCCCOCc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283224 CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283225 CCCc1nc(CC)c(C(=O)OCCCCOc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283226 CCCCN(Cc1ccccc1)C(=O)C#CCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283227 CCCc1nc(CC)c(C(=O)OCc2ccccc2S(=O)(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283228 CCCc1nc(CC)c(C(=O)OCCCC(=O)Nc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283229 CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2ccsc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283230 CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2ccccn2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283231 CCCc1nc(CC)c(C(=O)OCC(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283232 CCCc1nc(CC)c(C(=O)OCc2cccc(c2)C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283233 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2Oc2ccccc2)c(F)c1
BDBM50283234 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCC(C)C
BDBM50283235 CCCc1nc(CC)c(C(=O)OCCN(C(=O)c2ccccc2)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283236 CCCCN(Cc1ccccc1)C(=O)c1ccc(COC(=O)c2c(CC)nc(CCC)n2Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)cc1
BDBM50283237 CCCc1nc(CC)c(C(=O)OCCCC(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283238 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)Nc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283239 CCCc1nc(CC)c(C(=O)OCc2cccc(c2)C(=O)N(c2ccccc2)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283240 CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)NCCCOc2ccccc2)c(F)c1
BDBM50283241 CCCc1nc(CC)c(C(=O)OCc2ccccc2Sc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283242 CCCc1nc(CC)c(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283243 CCCc1nc(CC)c(C(=O)NCc2ccccc2Sc2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283244 CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCc1ccccc1
BDBM50283245 CCCc1nc(CC)c(C(=O)OCc2ccccc2OC)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283246 CCCc1nc(CC)c(C(=O)OCc2ccccc2OCCC(C)C)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50283247 CCCCN(Cc1ccccc1)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50283248 CCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2C(=O)c2ccccc2)c(F)c1
BDBM50283249 CCCc1nc(CC)c(C(=O)OCCCS(=O)(=O)c2ccccc2)n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCCC(C)C
BDBM50284647 CCCCCN(C(=O)c1ccccc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50284649 CCCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50284650 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccco2)cc1
BDBM50284654 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccncc2)cc1
BDBM50284655 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccc(O)cc2)C(=O)c2ccccc2)cc1
BDBM50284656 CCCCC(=O)N(Cc1ccccc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50284661 Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(cc3c2=O)N(Cc2ccccn2)C(=O)c2ccccc2)cc1
BDBM50284662 CCCCN(C(=O)c1ccc(OP([O-])([O-])=O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50284663 CCCCN(C(=O)c1ccc(O)cc1)c1ccc2ncn(Cc3ccc(cc3)-c3ccccc3-c3nnnn3C)c(=O)c2c1
BDBM50271181 COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1
BDBM50281629 OC(=O)c1ccccc1-c1ccc(CNc2nc(nc3CCCCc23)C(F)(F)F)cc1
BDBM50281630 FC(F)(F)c1nc2CCCCc2c(NCc2ccc(cc2)-c2ccccc2NS(=O)(=O)C(F)(F)F)n1
BDBM50281797 CCCCc1nc2cn[nH]c(=O)c2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50281802 CCCCc1nc2c(n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c(=O)[nH][nH]c2=O
BDBM50282207 CCCCc1nc(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n(CCCC)n1
BDBM50281814 CCCCc1cn(CCCC)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nnn[nH]1
BDBM50281822 CCCCc1cn(CCCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50281823 CCCCc1cn([C@@H]2[C@@H](C)CCC[C@H]2C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nnn[nH]1
BDBM50281755 Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc(I)c1O
BDBM50281756 Cc1cc(Cn2cnc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1NCCCCCCNC(=O)CCNc1ccc([N+]([O-])=O)c2[n-][o+]nc12
BDBM50281758 Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1NCCCCCCNC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
BDBM50281848 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccsc1-c1nnn[nH]1
BDBM50287290 CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30|
BDBM50213461 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc2OCOc2c1
BDBM50213460 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc2ccccc2c1
BDBM50285752 CCCCCCC(O)(C(O)=O)c1c(SC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285753 CCCCc1nc(SC)c(C(C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285754 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(O)=O)c1ccccc1
BDBM50285755 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1)C(C)(O)C(O)=O
BDBM50285756 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)C(C)(O)C(O)=O
BDBM50285757 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(C)C)C(O)=O
BDBM50285758 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(CC)C(O)=O
BDBM50285759 CCCc1nc(SC)c(C(O)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285760 CCCCc1nc(SC)c(C(O)CC(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285761 CCCCc1nc(SC)c(C(=O)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285762 CCCCC(O)(C(O)=O)c1c(SC)nc(CCC)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285763 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(Cc1ccccc1)C(O)=O
BDBM50285764 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1)C(O)(C(O)=O)C(F)(F)F
BDBM50285765 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C=C)C(O)=O
BDBM50285766 CCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(C)(O)C(O)=O
BDBM50285767 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(O)(C(O)=O)C(F)(F)F
BDBM50285768 CCCCc1nc(SC)c(C(O)n2cnnn2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285769 CCCCc1nc(SC)c(C(=O)n2cnnn2)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50285770 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1)C(C)(O)C(O)=O
BDBM50285771 CCCCc1nc(SC)c(n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCCC)C(C)(O)C(=O)OCC
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50313242 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:4.4,56.58,69.74,20.38,wD:2.2,39.49,73.77,8.17,(34.67,-36.98,;34.66,-38.57,;35.98,-39.34,;37.32,-38.56,;35.98,-40.87,;34.66,-41.63,;33.31,-40.85,;33.31,-39.33,;31.98,-41.61,;31.98,-43.17,;33.31,-43.93,;34.64,-43.18,;35.97,-43.96,;35.95,-45.5,;37.29,-46.29,;34.62,-46.26,;33.3,-45.48,;30.65,-40.84,;29.32,-41.62,;29.32,-43.17,;27.98,-40.84,;27.98,-39.31,;27.19,-37.97,;27.96,-36.62,;27.17,-35.29,;25.62,-35.3,;24.86,-36.66,;25.65,-37.99,;24.84,-33.97,;25.6,-32.63,;23.3,-33.98,;22.53,-32.66,;20.99,-32.67,;20.23,-34.01,;21.02,-35.34,;22.55,-35.32,;26.65,-41.61,;25.31,-40.84,;25.31,-39.31,;23.98,-41.61,;23.98,-43.16,;25.31,-43.92,;25.31,-45.46,;26.65,-46.23,;26.66,-47.77,;27.99,-48.53,;25.32,-48.54,;22.65,-40.82,;21.32,-41.59,;21.32,-43.14,;19.99,-40.83,;18.66,-41.59,;17.33,-40.82,;37.32,-41.64,;37.32,-43.19,;38.64,-40.88,;39.99,-41.65,;41.31,-40.89,;41.31,-39.36,;40.09,-38.45,;40.57,-36.99,;42.11,-37,;42.57,-38.47,;39.99,-43.21,;38.64,-43.98,;41.31,-43.97,;42.89,-43.43,;43.91,-44.76,;42.97,-46.14,;41.57,-45.46,;40.34,-46.39,;38.96,-45.72,;40.46,-47.92,;39.18,-48.77,;37.79,-48.1,;36.52,-48.95,;36.62,-50.49,;35.35,-51.35,;33.97,-50.68,;33.86,-49.14,;35.13,-48.28,;39.28,-50.31,;38.01,-51.17,;40.67,-50.98,)|
BDBM50313243 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:35|
BDBM50313244 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50313245 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(cc1)C1(N=N1)C(F)(F)F)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:4.4,57.59,70.75,35.36,20.21,wD:2.2,24.32,74.78,8.17,c:47,(6.95,-16.43,;6.95,-17.98,;8.26,-18.74,;9.61,-17.96,;8.26,-20.27,;6.95,-21.03,;5.6,-20.25,;5.6,-18.73,;4.28,-21.01,;4.28,-22.56,;5.6,-23.33,;6.93,-22.58,;8.25,-23.35,;8.24,-24.9,;9.57,-25.69,;6.91,-25.65,;5.59,-24.88,;2.94,-20.24,;1.61,-21.02,;1.61,-22.57,;.27,-20.24,;-1.06,-21.02,;-2.39,-20.25,;-2.39,-18.72,;-3.72,-21.01,;-3.72,-22.56,;-2.4,-23.32,;-2.4,-24.87,;-1.08,-25.64,;-1.08,-27.19,;-2.42,-27.96,;.25,-27.94,;-5.05,-20.22,;-6.38,-20.99,;-6.38,-22.53,;-7.71,-20.23,;-9.04,-20.99,;-7.71,-18.68,;-6.37,-17.9,;-5.03,-18.68,;-3.69,-17.9,;-3.69,-16.35,;-5.04,-15.58,;-6.38,-16.36,;-2.35,-15.57,;-.82,-15.57,;-1.59,-14.24,;-3.45,-14.47,;-3.05,-12.99,;-4.94,-14.86,;-4.54,-13.37,;.27,-18.71,;1.61,-17.94,;-1.05,-17.95,;9.61,-21.04,;9.61,-22.59,;10.92,-20.28,;12.27,-21.05,;13.59,-20.29,;13.59,-18.77,;12.37,-17.86,;12.85,-16.4,;14.39,-16.41,;14.85,-17.88,;12.27,-22.61,;10.92,-23.38,;13.59,-23.37,;15.17,-22.83,;16.19,-24.16,;15.24,-25.54,;13.85,-24.86,;12.62,-25.78,;11.24,-25.11,;12.74,-27.32,;11.45,-28.17,;10.07,-27.5,;8.8,-28.35,;8.9,-29.89,;7.63,-30.74,;6.26,-30.07,;6.15,-28.54,;7.42,-27.68,;11.56,-29.7,;10.29,-30.56,;12.94,-30.37,)|
BDBM50313246 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(cc1)C(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:4.4,58.60,71.76,35.36,20.21,wD:2.2,24.32,75.79,8.17,(34.53,1.09,;34.53,-.46,;35.84,-1.23,;37.19,-.45,;35.84,-2.75,;34.53,-3.51,;33.18,-2.74,;33.18,-1.21,;31.85,-3.5,;31.85,-5.05,;33.18,-5.82,;34.51,-5.07,;35.84,-5.85,;35.82,-7.39,;37.15,-8.18,;34.49,-8.14,;33.16,-7.37,;30.52,-2.73,;29.19,-3.5,;29.19,-5.06,;27.84,-2.72,;26.51,-3.5,;25.18,-2.73,;25.18,-1.2,;23.85,-3.49,;23.85,-5.05,;25.18,-5.81,;25.18,-7.36,;26.5,-8.13,;26.5,-9.68,;25.15,-10.45,;27.82,-10.44,;22.52,-2.71,;21.19,-3.48,;21.19,-5.02,;19.86,-2.72,;18.53,-3.48,;19.86,-1.16,;21.2,-.39,;22.55,-1.16,;23.89,-.39,;23.89,1.17,;22.53,1.94,;21.2,1.16,;25.22,1.94,;26.55,1.18,;25.21,3.48,;26.55,4.25,;26.54,5.78,;25.21,6.55,;23.87,5.77,;23.88,4.23,;27.84,-1.2,;29.19,-.42,;26.53,-.44,;37.19,-3.53,;37.19,-5.08,;38.51,-2.77,;39.86,-3.54,;41.18,-2.78,;41.18,-1.25,;39.96,-.34,;40.44,1.12,;41.98,1.11,;42.44,-.36,;39.86,-5.1,;38.51,-5.87,;41.18,-5.86,;42.76,-5.32,;43.78,-6.65,;42.83,-8.03,;41.44,-7.35,;40.21,-8.28,;38.83,-7.61,;40.33,-9.81,;39.04,-10.66,;37.66,-9.99,;36.39,-10.84,;36.49,-12.38,;35.22,-13.24,;33.84,-12.57,;33.73,-11.03,;35,-10.17,;39.15,-12.2,;37.88,-13.06,;40.53,-12.87,)|
BDBM50313247 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O |r,wU:44.44,57.60,4.4,20.21,wD:2.2,24.32,8.17,61.63,(38.66,-15.79,;38.59,-17.33,;39.9,-18.15,;41.26,-17.44,;39.84,-19.68,;38.49,-20.39,;37.17,-19.56,;37.23,-18.03,;35.82,-20.27,;35.76,-21.82,;37.05,-22.64,;38.41,-21.94,;39.71,-22.77,;39.63,-24.31,;40.93,-25.15,;38.27,-25.02,;36.97,-24.19,;34.51,-19.45,;33.15,-20.17,;33.09,-21.73,;31.84,-19.34,;30.47,-20.06,;29.17,-19.24,;29.23,-17.71,;27.81,-19.95,;27.75,-21.5,;29.05,-22.32,;28.99,-23.86,;30.3,-24.67,;30.24,-26.21,;31.55,-27.03,;28.88,-26.93,;26.52,-19.12,;25.16,-19.84,;25.1,-21.38,;23.85,-19.02,;22.5,-19.73,;21.2,-18.91,;31.9,-17.81,;33.26,-17.1,;30.59,-16.99,;41.15,-20.51,;41.09,-22.06,;42.5,-19.8,;43.86,-20.56,;45.17,-19.78,;45.16,-18.24,;46.4,-17.34,;45.91,-15.88,;44.37,-15.89,;43.91,-17.36,;43.87,-22.12,;42.53,-22.91,;45.21,-22.86,;46.59,-22.21,;47.62,-23.33,;46.89,-24.66,;45.39,-24.37,;44.12,-25.24,;42.77,-24.5,;44.15,-26.78,;45.26,-27.84,;44.88,-29.33,;45.98,-30.41,;45.6,-31.9,;46.71,-32.97,;48.19,-32.55,;48.57,-31.06,;47.47,-29.99,;49.3,-33.63,;50.78,-33.21,;48.92,-35.12,;47.43,-35.53,;47.06,-37.03,;48.16,-38.1,;49.65,-37.68,;50.02,-36.18,;46.74,-27.42,;47.85,-28.5,;47.12,-25.93,)|
BDBM50313240 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)C(O)=O |r,wU:44.44,57.60,4.4,20.21,wD:2.2,24.32,8.17,61.63,c:74,(7.79,3.66,;7.73,2.12,;9.03,1.3,;10.39,2.02,;8.97,-.22,;7.62,-.93,;6.31,-.11,;6.37,1.42,;4.95,-.81,;4.89,-2.36,;6.19,-3.18,;7.54,-2.48,;8.84,-3.32,;8.76,-4.86,;10.06,-5.69,;7.41,-5.56,;6.11,-4.73,;3.65,0,;2.28,-.72,;2.22,-2.27,;.97,.11,;-.39,-.61,;-1.69,.22,;-1.63,1.75,;-3.05,-.49,;-3.12,-2.04,;-1.82,-2.86,;-1.87,-4.4,;-.57,-5.22,;-.62,-6.75,;.68,-7.57,;-1.98,-7.48,;-4.35,.34,;-5.71,-.38,;-5.77,-1.92,;-7.01,.43,;-8.36,-.28,;-9.67,.55,;1.03,1.64,;2.39,2.36,;-.27,2.46,;10.28,-1.05,;10.22,-2.6,;11.63,-.34,;12.99,-1.1,;14.3,-.33,;14.29,1.21,;15.53,2.12,;15.04,3.58,;13.5,3.57,;13.04,2.1,;13,-2.66,;11.66,-3.45,;14.34,-3.4,;15.72,-2.76,;16.75,-3.87,;16.02,-5.2,;14.52,-4.91,;13.25,-5.78,;11.9,-5.04,;13.28,-7.32,;14.39,-8.38,;14.01,-9.87,;15.11,-10.95,;14.73,-12.44,;15.84,-13.51,;17.32,-13.09,;17.7,-11.6,;16.6,-10.53,;18.43,-14.17,;18.85,-15.65,;19.92,-14.54,;19.76,-13.38,;21.1,-14.14,;19.74,-11.84,;20.85,-12.29,;15.87,-7.97,;16.97,-9.04,;16.25,-6.48,)|
BDBM50313241 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)C1(N=N1)C(F)(F)F)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:4.4,55.57,68.73,20.37,wD:2.2,38.48,72.76,8.17,c:31,(7.37,.5,;7.36,-1.08,;8.67,-1.85,;10.02,-1.07,;8.67,-3.38,;7.36,-4.13,;6.01,-3.36,;6.01,-1.84,;4.68,-4.12,;4.68,-5.67,;6.01,-6.44,;7.34,-5.69,;8.67,-6.47,;8.65,-8.01,;9.98,-8.8,;7.32,-8.76,;5.99,-7.99,;3.35,-3.35,;2.02,-4.12,;2.02,-5.68,;.68,-3.35,;.68,-1.82,;-.11,-.48,;.66,.87,;-.13,2.2,;-1.68,2.19,;-2.44,.83,;-1.65,-.5,;-2.47,3.52,;-2.48,5.06,;-3.81,4.27,;-3.81,2.76,;-5.13,3.53,;-3.82,1.22,;-5.14,1.99,;-.65,-4.12,;-1.99,-3.35,;-1.99,-1.82,;-3.32,-4.12,;-3.32,-5.67,;-1.99,-6.43,;-1.99,-7.97,;-.65,-8.73,;-.65,-10.27,;.69,-11.04,;-1.98,-11.05,;-4.65,-3.33,;-5.98,-4.1,;-5.98,-5.64,;-7.31,-3.34,;-8.63,-4.1,;-9.97,-3.33,;10.02,-4.15,;10.02,-5.7,;11.34,-3.39,;12.68,-4.16,;14.01,-3.4,;14.01,-1.87,;12.78,-.96,;13.27,.5,;14.81,.49,;15.27,-.98,;12.68,-5.72,;11.34,-6.49,;14.01,-6.48,;15.59,-5.94,;16.61,-7.27,;15.66,-8.65,;14.27,-7.97,;13.04,-8.9,;11.66,-8.22,;13.16,-10.43,;11.87,-11.28,;10.49,-10.61,;9.22,-11.46,;9.32,-13,;8.05,-13.86,;6.67,-13.19,;6.56,-11.65,;7.83,-10.79,;11.98,-12.81,;10.71,-13.68,;13.36,-13.49,)|
BDBM50335923 CCCc1nc2ccccc2n1C(F)(F)C(O)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50335924 CCCCc1nc2ccn(CC(=O)N3CCCCC3)c(=O)c2n1Cc1ccc(cc1F)-c1ccccc1S(=O)(=O)NC(=O)OCc1ccccc1
BDBM50335925 CCCCc1nc(Cl)c2C=C(CC(c3ccc(cc3)-c3ccccc3-c3nnn[nH]3)n12)C(O)=O |c:9|
BDBM50335926 CCCCc1nc(Cl)c2C(=CCC(c3ccc(cc3)-c3ccccc3-c3nnn[nH]3)n12)C(O)=O |c:9|
BDBM50335929 CCCCN1CC2(CN1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)CCC2=O
BDBM50335930 CCCCN1CC2(CN1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1)C(=O)CCC2=O
BDBM50351798 CCCCn1ncc(C(O)=O)c1Nc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50351799 CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1Nc1cccc(C)c1
BDBM50351800 CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccc(CC)cc1
BDBM50351801 CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccc(C)cc1
BDBM50351802 CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1cccc(C)c1
BDBM50351803 CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccccc1
BDBM50351804 CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1cc(C)cc(C)c1
BDBM50347563 CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347564 CC(C)Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r|
BDBM50347565 CCc1nc2c(C)cc(Cc3ccccc3)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347566 CCc1nc2c(C)cc(CC)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347567 CCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347568 Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r|
BDBM50347569 CC(C)c1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347570 CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1C(O)=O |r|
BDBM50347571 CCCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347572 CCc1nc2c(C)c(CC)c(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347573 CCc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r|
BDBM50347574 CCc1nc2c(CC(C)C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347575 CCc1nc2c(C)c(C)c(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50347576 CCc1nc2c(C)cc(C)nc2n1[C@@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50363825 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1
BDBM50363826 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1OC
BDBM50363827 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccc(OC)c1
BDBM50363828 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(OC)cc1
BDBM50363829 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(OC)c(OC)c1
BDBM50363830 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1cccc(OC)c1
BDBM50363831 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(OC)cc1
BDBM50363832 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(OC)c(OC)c1
BDBM50363833 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1cc(OC)ccc1OC
BDBM50363834 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1F
BDBM50363835 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(F)cc1
BDBM50369331 CC[C@@H](C)[C@H](N1Cc2cc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)ccc2[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:60.65,47.49,33.34,24.24,2.2,wD:4.4,13.20,64.68,(17.94,-9.01,;17.96,-7.5,;16.62,-6.73,;15.26,-7.47,;16.62,-5.23,;15.3,-4.47,;13.9,-5.27,;12.5,-4.49,;11.12,-5.27,;9.72,-4.51,;8.33,-5.29,;6.92,-4.54,;6.9,-2.96,;5.54,-5.34,;5.54,-6.9,;6.95,-7.69,;6.97,-9.26,;8.38,-10.03,;8.39,-11.61,;7,-12.41,;9.8,-12.38,;4.12,-4.56,;2.74,-5.36,;2.75,-6.94,;1.32,-4.59,;-.07,-5.39,;1.3,-3.01,;-.1,-2.24,;-1.5,-3.03,;-.12,-.67,;9.7,-2.93,;11.09,-2.13,;12.48,-2.91,;13.87,-2.11,;13.86,-.6,;12.51,.17,;12.5,1.68,;11.16,2.42,;9.82,1.65,;8.46,2.41,;9.85,.12,;11.18,-.62,;15.28,-2.89,;16.62,-2.12,;17.96,-4.47,;17.96,-2.98,;19.3,-5.23,;20.62,-4.47,;20.62,-2.98,;21.33,-1.86,;22.67,-1.76,;22.99,-.48,;21.83,.21,;20.81,-.64,;21.96,-5.23,;21.96,-6.72,;23.29,-4.45,;22.15,-3.46,;22.77,-2.11,;24.31,-2.24,;24.63,-3.7,;26.05,-4.31,;26.22,-5.8,;27.28,-3.42,;28.69,-4.03,;28.85,-5.51,;29.94,-6.58,;29.54,-8.02,;30.61,-9.08,;32.1,-8.69,;32.5,-7.25,;31.4,-6.18,;29.93,-3.13,;31.35,-3.73,;29.74,-1.65,)|
BDBM50230116 CCCCc1ncc(\C=C(/Cc2ccc(OC)c(OC)c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50370575 CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:68.73,15.15,55.57,41.42,30.30,2.2,wD:4.4,19.26,72.76,(20.86,-11.16,;20.86,-9.62,;19.5,-8.85,;18.13,-9.62,;19.5,-7.31,;18.13,-6.53,;17.29,-7.83,;15.7,-8,;15.29,-9.47,;13.78,-9.86,;12.67,-8.77,;13.1,-7.3,;11.74,-6.61,;10.41,-7.27,;10.41,-8.62,;9.06,-6.59,;7.72,-7.27,;6.37,-6.59,;6.4,-5.24,;5.03,-7.24,;5.03,-8.61,;6.22,-9.28,;6.2,-10.63,;7.41,-11.31,;7.4,-12.65,;6.2,-13.32,;8.58,-13.35,;3.69,-6.58,;2.35,-7.24,;2.35,-8.58,;.99,-6.58,;-.35,-7.21,;1.02,-5.24,;-.33,-4.54,;-1.69,-5.21,;-.32,-3.2,;9.07,-5.22,;10.45,-4.54,;7.71,-4.51,;14.61,-6.9,;14.8,-5.36,;16.14,-4.57,;15.99,-3.04,;16.77,-1.69,;15.97,-.38,;16.74,.97,;18.32,.97,;19.09,2.32,;19.13,-.34,;18.35,-1.69,;17.63,-5.09,;18.76,-3.99,;20.86,-6.53,;20.86,-5,;22.25,-7.3,;23.67,-6.69,;23.73,-5.14,;24.52,-3.79,;26.07,-3.63,;26.4,-2.11,;25.03,-1.35,;23.84,-2.38,;25,-7.41,;24.92,-8.77,;26.39,-6.67,;25.88,-5.19,;27.18,-4.28,;28.45,-5.19,;27.97,-6.67,;29.35,-7.43,;29.34,-8.98,;30.71,-6.67,;32.02,-7.41,;31.94,-8.77,;33.27,-9.48,;34.67,-8.88,;35.98,-9.63,;35.9,-10.95,;34.48,-11.61,;33.19,-10.87,;33.44,-6.8,;34.77,-7.53,;33.52,-5.43,)|
BDBM50370576 CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:61.66,48.50,15.22,34.35,2.2,wD:4.4,65.69,26.26,(17.04,-11.58,;17.04,-10.04,;15.66,-9.27,;14.31,-10.04,;15.66,-7.73,;14.31,-6.96,;13.45,-8.27,;11.88,-8.43,;11.49,-9.89,;9.96,-10.28,;8.85,-9.2,;9.27,-7.73,;7.91,-6.94,;6.57,-7.6,;6.59,-8.95,;5.22,-6.94,;5.22,-5.59,;3.89,-4.92,;3.91,-3.59,;2.54,-2.91,;2.56,-1.57,;1.23,-.89,;3.92,-.92,;3.91,-7.62,;2.54,-6.94,;2.54,-5.61,;1.2,-7.62,;-.15,-6.96,;1.2,-8.95,;-.12,-9.64,;-1.47,-8.98,;-.11,-10.97,;10.79,-7.33,;10.97,-5.81,;12.32,-5.01,;12.16,-3.47,;12.94,-2.15,;14.52,-2.12,;15.29,-.81,;14.5,.52,;15.27,1.86,;12.91,.49,;12.14,-.84,;13.8,-5.53,;14.93,-4.46,;17.04,-6.96,;17.04,-5.43,;18.42,-7.73,;19.82,-7.11,;19.89,-5.56,;20.67,-4.25,;22.22,-4.06,;22.54,-2.56,;21.18,-1.8,;20.01,-2.83,;21.14,-7.82,;21.05,-9.2,;22.54,-7.1,;22.04,-5.64,;23.33,-4.73,;24.61,-5.64,;24.12,-7.1,;25.48,-7.86,;25.48,-9.4,;26.86,-7.11,;28.17,-7.85,;28.07,-9.22,;29.42,-9.91,;29.32,-11.29,;30.62,-12.02,;32.03,-11.39,;32.13,-10.05,;30.8,-9.29,;29.59,-7.23,;30.9,-7.96,;29.66,-5.86,)|
BDBM50370405 Cc1cc(Cn2cnc3CN(C(Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1N
BDBM50370408 CCCc1nc(c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1
BDBM50229417 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)N[C@H](C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O |wU:8.7,29.31,45.48,23.25,4.4,15.16,33.35,49.52,2.2,(2.77,5.03,;2.98,3.51,;1.76,2.57,;.33,3.15,;1.97,1.04,;.75,.1,;.95,-1.43,;2.38,-2.01,;-.26,-2.37,;-1.74,-1.94,;-2.61,-3.21,;-1.67,-4.43,;-.22,-3.91,;1.06,-4.78,;2.44,-4.11,;.94,-6.31,;-.17,-7.38,;-1.65,-6.95,;-2.87,-7.89,;-4.14,-7.02,;-3.71,-5.54,;-2.17,-5.5,;2.22,-7.18,;2.1,-8.72,;.71,-9.38,;-.56,-8.52,;.6,-10.92,;3.37,-9.58,;4.76,-8.91,;3.26,-11.12,;4.53,-11.99,;4.42,-13.52,;3.03,-14.19,;5.69,-14.39,;5.58,-15.92,;6.85,-16.79,;8.24,-16.12,;9.51,-16.99,;9.4,-18.52,;10.67,-19.39,;8.01,-19.19,;6.74,-18.33,;7.08,-13.72,;7.19,-12.18,;5.92,-11.32,;8.58,-11.51,;8.69,-9.98,;10.08,-9.31,;11.35,-10.18,;10.2,-7.77,;11.58,-7.11,;11.7,-5.57,;13.08,-4.9,;13.2,-3.36,;14.59,-2.7,;14.7,-1.16,;15.86,-3.56,;8.92,-6.91,;7.54,-7.58,;7.42,-9.11,;6.26,-6.71,;4.88,-7.38,;3.6,-6.51,;9.85,-12.38,;9.74,-13.92,;11.24,-11.71,;1.87,-11.79,;.33,-11.83,;1.76,-13.32,;3.39,.46,;3.6,-1.07,;4.61,1.4,)|
BDBM50229430 CCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229463 CCCCc1nc(Cl)c(CN)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229466 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1n[nH]c(n1)C(F)(F)F
BDBM50229455 CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229468 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(=O)Nc1nn[nH]n1
BDBM50229479 CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229481 CCCCc1nc(Cl)c(CNC(=O)OCC=C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229482 CCCCc1nc(Cl)c(C(O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229484 CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1cccc(c1)-c1nn[nH]n1
BDBM50229486 CCCCc1nc(Cl)c(CNC(=O)c2cc3c(OCC(O)CNC(C)C)cccc3[nH]2)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229488 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
BDBM50230118 CCCCc1ncc(CCCC(O)=O)n1Cc1ccccc1Cl
BDBM50223881 OC(=O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2CCc2ccccc2)cc1
BDBM50223499 COc1ccc(Cc2nccn2Cc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)cc1
BDBM50223882 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N1C(=O)C(=C(C1=O)c1ccccc1)c1ccccc1 |c:27|
BDBM50226419 CCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226421 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(C)cccc2C(O)=O)cc1
BDBM50226420 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)[N+]([O-])=O
BDBM50226422 OCc1c(Cl)nc(CCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226423 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)cc1
BDBM50226467 CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1
BDBM50226425 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1cccc(C)c1C(O)=O
BDBM50226426 CCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226428 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2NS(=O)(=O)C(F)(F)F)cc1
BDBM50025538 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
BDBM50022623 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(Br)ccc2NS(=O)(=O)C(F)(F)F)cc1
BDBM50087580 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50087581 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCC(O)=O)cc1
BDBM50087582 CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1cccc(c1)-c1nnn[nH]1
BDBM50087583 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(OC)cccc2C(O)=O)cc1
BDBM50087586 CCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50087590 CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)C(CC(O)=O)c2ccccc2)cc1
BDBM50087593 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2NS(=O)(=O)C(F)(F)F)cc1
BDBM50087591 CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)CC(C(O)=O)c2ccccc2)cc1
BDBM50087614 CCCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50087618 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)C(F)(F)F
BDBM50218592 CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(cc1)-c1nnn[nH]1
BDBM50087631 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCCC(O)=O)cc1
BDBM50087633 CCCCc1nc(CC(O)=O)c(Cl)n1Cc1ccc(cc1)C(O)=O
BDBM50108642 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(c2C(O)=O)[N+]([O-])=O)cc1
BDBM50222262 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1
BDBM50222261 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccccc1NC(=O)c1ccccc1C(O)=O
BDBM50222263 CCCCc1nc(CC(=O)OC)c(Cl)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50369183 CCCCOC(=O)NS(=O)(=O)c1ccc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
BDBM50370375 [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#7])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O
BDBM50370684 CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50370685 CC[C@@H](C)[C@H](NC(=O)c1cc(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc(Cc2ccc(O)cc2)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50370686 CC[C@@H](C)[C@H](NC(=O)[C@H](N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50228889 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1C
BDBM50228890 COc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccc(OC)cc1
BDBM50228887 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc2ccccc2c1
BDBM50228888 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccc(Br)c1
BDBM50228891 Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1[N+]([O-])=O
BDBM50228928 Cc1cc(C)cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c1
BDBM50228882 OC(=O)C1Cc2ncn(Cc3ccccc3)c2CN1C(=O)\C=C\c1ccccc1
BDBM50228884 Cc1cccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c1
BDBM50228885 CNC(=O)Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50228886 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)CC(c2ccccc2)c2ccccc2)cc1C
BDBM50228878 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCC12CC3CC(CC(C3)C1)C2 |TLB:36:35:38:31.30.32,36:31:38:35.37.34,THB:34:33:30:35.37.36,34:35:30:33.38.32|
BDBM50228879 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C2CCCCC2)c2ccccc2)cc1C
BDBM50228881 OC(=O)C1Cc2c(CN1C(=O)C(c1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O)ncn2Cc1ccccc1
BDBM50389541 CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50389542 CCCCc1c(Br)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50389543 CCCCc1c(I)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50389544 CCCCc1cnc(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50389545 CCCCc1cnc(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50389546 CCCCc1c(Cl)nc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50389547 CCCCc1cnc(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
BDBM50388741 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccc(OC)c(OC)c1
BDBM50388742 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccc(F)cc1
BDBM50388730 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccccc1F
BDBM50388731 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCc1ccccc1
BDBM50388732 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCc1ccccc1OC
BDBM50388733 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCc1cccc(OC)c1
BDBM50388734 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCc1ccc(OC)cc1
BDBM50388735 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCc1ccc(OC)c(OC)c1
BDBM50388736 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccccc1
BDBM50388737 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCC(C)c1ccccc1
BDBM50388738 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1cccc(OC)c1
BDBM50388739 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccc(OC)cc1
BDBM50388740 CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1cc(OC)ccc1OC
BDBM50393942 CC(C)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393943 Cc1ccnc(SCc2cc(=O)c(OC(=O)C(C)(C)C)co2)n1
BDBM50393944 Cc1ccnc(SCc2cc(=O)c(OCc3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
BDBM50393945 Cc1ccnc(SCc2cc(=O)c(OCc3ccccc3)co2)n1
BDBM50393946 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccccc2)cc1=O
BDBM50393947 Cc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)cc1
BDBM50393948 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccc(Cl)cc2)cc1=O
BDBM50393949 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ccc(OC(F)(F)F)cc2)cc1=O
BDBM50393950 COc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)cc1
BDBM50393894 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)C(F)(F)F)co2)n1
BDBM50393895 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)C#N)co2)n1
BDBM50393896 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)[N+]([O-])=O)co2)n1
BDBM50393897 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)n1
BDBM50393898 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(c3)[N+]([O-])=O)co2)n1
BDBM50393899 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(c3)[N+]([O-])=O)co2)n1
BDBM50393900 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3)co2)n1
BDBM50393901 COc1cc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)c(cc1OC)[N+]([O-])=O
BDBM50393902 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM50393903 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM50393904 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393905 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)-c1ccccc1
BDBM50393906 Cc1c(cccc1[N+]([O-])=O)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393907 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393908 [O-][N+](=O)c1ccc(Cl)cc1C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393909 Cc1ccc(cc1C)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393910 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM50393951 Cc1cc(C)nc(SCc2cc(=O)c(O)co2)n1
BDBM50393952 Cc1ccnc(SCc2cc(=O)c(O)co2)n1
BDBM50393911 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393912 Fc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393913 CC(C)(C)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393914 CCCCOc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393915 CC(C)Oc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393916 CCOc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393917 COc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393918 Cc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393919 Brc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393920 FC(F)(F)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393921 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(cc1)C#N
BDBM50393922 Clc1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393923 [O-][N+](=O)c1cccc(c1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393924 Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393925 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393926 O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccccc1
BDBM50393927 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3[N+]([O-])=O)co2)n1
BDBM50393928 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(cc3)S(=O)(=O)N3CCCC3)co2)n1
BDBM50393929 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(F)cc3)co2)n1
BDBM50393930 COc1ccc(cc1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393931 Cc1ccc(cc1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393953 Oc1coc(CSc2ncccn2)cc1=O
BDBM50393954 Oc1coc(CSc2ccc(F)cc2)cc1=O
BDBM50393955 Oc1coc(CSc2ccccc2)cc1=O
BDBM50393956 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(c3)C#N)co2)n1
BDBM50393957 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(OC(F)(F)F)cc3)co2)n1
BDBM50393958 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)n1
BDBM50393959 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)n1
BDBM50393960 Cc1cccc(c1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393961 COc1cccc(c1)C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50393962 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)n1
BDBM50393963 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(ccc3Cl)[N+]([O-])=O)co2)n1
BDBM50393964 [O-][N+](=O)c1ccc(cc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O
BDBM50393932 Cc1ccnc(n1)S(=O)(=O)Cc1cc(=O)c(OC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)co1
BDBM50393933 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cnco3)co2)n1
BDBM50393934 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(o3)[N+]([O-])=O)co2)n1
BDBM50393935 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccsc3)co2)n1
BDBM50393936 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)n1
BDBM50393937 Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccc(cc3)[N+]([O-])=O)co2)n1
BDBM50393938 Cc1ccnc(SCc2cc(=O)c(NC(=O)c3ccccc3)co2)n1
BDBM50393939 Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)co2)n1
BDBM50393940 Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccccc3)co2)n1
BDBM50393941 CC(=O)Oc1coc(CSc2nccc(C)n2)cc1=O
BDBM50406795 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
BDBM50009559 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:64.63,wD:49.46,(33.95,-24.02,;32.63,-23.26,;32.63,-21.73,;31.31,-24.02,;29.98,-23.26,;31.31,-25.55,;29.98,-24.78,;11.46,-28.95,;10.14,-28.18,;10.14,-26.66,;8.82,-28.95,;7.49,-28.18,;8.82,-30.47,;7.49,-29.7,;2.43,-19.75,;1.11,-18.99,;1.11,-17.47,;-.21,-19.75,;-1.53,-18.99,;-.21,-21.28,;-1.54,-20.51,;7.43,-2.06,;8.76,-2.82,;8.77,-4.36,;7.45,-5.14,;7.46,-6.68,;10.11,-5.12,;10.12,-6.67,;11.46,-7.43,;12.78,-6.65,;14.12,-7.4,;14.14,-8.94,;12.81,-9.74,;12.83,-11.27,;14.17,-12.02,;15.5,-11.24,;15.48,-9.7,;16.81,-8.92,;15.46,-8.17,;18.13,-8.13,;18.15,-9.67,;14.19,-13.56,;12.65,-13.58,;13.43,-14.9,;15.53,-14.32,;15.52,-15.86,;16.86,-16.63,;16.86,-18.17,;18.19,-18.94,;18.19,-20.48,;19.52,-21.25,;20.86,-20.48,;20.86,-18.94,;22.19,-21.25,;23.52,-20.48,;23.68,-18.95,;25.19,-18.63,;25.96,-19.96,;27.49,-20.13,;24.93,-21.11,;25.32,-22.59,;16.86,-21.25,;16.86,-22.79,;15.52,-20.48,;14.19,-21.25,;14.19,-22.79,;15.37,-23.78,;16.84,-23.32,;17.73,-24.58,;19.24,-24.86,;19.76,-26.3,;21.28,-26.56,;21.8,-28.01,;20.81,-29.19,;19.29,-28.92,;18.77,-27.47,;16.8,-25.82,;15.34,-25.32,;14.24,-26.4,;12.85,-20.48,;12.85,-18.94,;11.52,-21.25,;10.19,-20.48,;10.19,-18.94,;8.86,-18.17,;7.52,-18.94,;6.43,-17.83,;7.52,-20.48,;8.85,-21.26,;15.45,-6.61,;16.77,-7.37,;18.09,-6.6,;18.08,-5.06,;16.75,-4.31,;15.44,-5.09,;14.1,-4.33,;12.78,-5.11,;11.44,-4.34,;19.4,-4.28,;20.74,-5.03,;22.07,-4.25,;19.39,-2.74,;18.04,-1.98,)|
BDBM50009560 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc1csc(=[NH2+])n1C)C(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[n+]1C)C(=O)NC1CC[NH+](C)CC1 |r,wU:77.78,wD:62.61,c:32,35,(42.23,-24.66,;40.91,-23.9,;40.91,-22.37,;39.59,-24.66,;38.27,-23.9,;39.59,-26.19,;38.26,-25.42,;20.73,-28.11,;19.41,-27.35,;19.41,-25.82,;18.09,-28.11,;16.76,-28.86,;18.09,-29.63,;16.76,-27.35,;12.36,-19.74,;11.03,-18.97,;11.03,-17.45,;9.71,-19.74,;9.71,-21.26,;8.39,-20.49,;8.39,-18.97,;16.42,-2.4,;17.75,-3.16,;17.76,-4.7,;16.44,-5.48,;16.45,-7.02,;19.1,-5.46,;20.43,-4.68,;21.77,-5.44,;21.78,-6.99,;20.45,-7.77,;19.11,-7.01,;23.11,-7.74,;24.44,-6.95,;25.77,-7.7,;27.08,-6.93,;27.07,-5.4,;25.74,-4.65,;24.43,-5.42,;28.39,-4.61,;29.73,-5.37,;31.06,-4.58,;28.38,-3.07,;27.03,-2.32,;23.13,-9.28,;21.8,-10.07,;21.82,-11.61,;23.16,-12.36,;24.49,-11.58,;24.47,-10.04,;25.8,-9.25,;24.45,-8.5,;27.12,-8.47,;27.14,-10.01,;23.18,-13.9,;22.42,-15.24,;21.64,-13.91,;24.52,-14.65,;24.51,-16.2,;25.85,-16.97,;25.85,-18.51,;27.18,-19.28,;27.18,-20.82,;28.51,-21.59,;29.85,-20.82,;29.85,-19.28,;31.18,-21.59,;32.51,-20.82,;32.67,-19.29,;34.18,-18.97,;34.95,-20.3,;36.48,-20.46,;33.92,-21.44,;34.31,-22.93,;25.85,-21.59,;25.85,-23.13,;24.51,-20.82,;23.18,-21.59,;23.18,-23.13,;24.36,-24.12,;25.83,-23.66,;26.72,-24.92,;28.23,-25.19,;28.76,-26.64,;27.76,-27.81,;28.28,-29.26,;29.8,-29.53,;30.79,-28.34,;30.27,-26.9,;25.79,-26.15,;24.33,-25.65,;23.23,-26.74,;21.85,-20.82,;21.85,-19.28,;20.51,-21.59,;19.18,-20.82,;17.84,-21.59,;16.51,-20.81,;16.51,-19.27,;15.42,-18.17,;17.85,-18.51,;19.18,-19.28,)|
BDBM50229573 CCCCC1=NC(Cl)C(N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)=O |t:4|
BDBM50229574 CCCc1nc2ccc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50400844 Oc1c(Oc2ccccc2-c2ccc(CNc3nc(nc4CCCCc34)C(F)(F)F)cc2)c(=O)c1=O
BDBM50226523 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2C(O)=O)cc1
BDBM50226524 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)Nc1ccccc1-c1nn[nH]n1
BDBM50226526 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NCc2ccccc2)cc1
BDBM50226528 CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2S(O)(=O)=O)cc1
BDBM50226530 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(O)=O)cc1
BDBM50226474 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1
BDBM50226475 OC(=O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2)cc1
BDBM50226476 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1cccc(c1)C(O)=O
BDBM50226477 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc3ccccc3cc2C(O)=O)cc1
BDBM50226478 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(I)ccc2NS(=O)(=O)C(F)(F)F)cc1
BDBM50023646 CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226468 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)C(F)(F)F
BDBM50226469 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1[N+]([O-])=O
BDBM50226470 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50226472 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM50226473 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
BDBM50226516 CCCCc1nc(Cl)c(CO)n1Cc1ccc(C=O)cc1
BDBM50226517 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(N)cc1
BDBM50226503 Cc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226515 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C(O)=O
BDBM50226519 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)C(F)(F)F)cc1
BDBM50226521 CCCCc1nc(Cl)c(CO)n1Cc1ccc(OC)cc1
BDBM50226522 C1CCC(CC1)NC1CCCCC1.CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(O)=O)cc1
BDBM50415628 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CN)C(C)C)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O |r|
BDBM50426770 CCc1nc2ccn(CC(C)C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426771 CCc1nc2ccn(CC(O)=O)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426772 CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426773 CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426774 CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426775 CCc1nc2cc[nH]c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426776 CCc1nc2c(C)cn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426777 CCc1nc2c(C)cn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426778 CCc1nc2ccn(Cc3c(C)noc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426779 CCc1nc2ccn(Cc3ccncc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426780 CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426781 CCc1nc2ccn(Cc3ccccn3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426782 CCc1nc2ccn(Cc3cccc(c3)C(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426783 CCc1nc2ccn(Cc3cccc(C)c3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426784 CCc1nc2ccn(Cc3cccc(F)c3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426785 CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426786 CCc1nc2ccn(Cc3ccccc3C(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426787 CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426788 CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426789 CCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50426790 CCc1nc2ccn(CC3CCCCC3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r|
BDBM50009576 CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:59.61,wD:44.44,(40.79,-.36,;40.78,-1.9,;39.44,-2.66,;38.11,-1.89,;36.78,-2.65,;39.44,-4.2,;38.09,-4.97,;38.09,-6.51,;39.42,-7.28,;39.42,-8.82,;38.09,-9.59,;36.74,-8.82,;35.42,-9.59,;35.42,-11.12,;36.75,-11.9,;38.09,-11.13,;39.42,-11.9,;39.41,-10.35,;40.75,-12.67,;39.42,-13.44,;34.09,-11.89,;32.55,-11.89,;33.32,-10.56,;34.09,-13.43,;32.75,-14.2,;31.42,-13.43,;30.09,-14.2,;28.75,-13.43,;27.42,-14.2,;26.08,-13.43,;24.75,-14.2,;23.42,-13.43,;22.08,-14.2,;20.75,-13.43,;19.42,-14.2,;18.08,-13.43,;16.75,-14.2,;15.41,-13.43,;15.41,-11.89,;14.08,-14.2,;14.08,-15.74,;15.41,-16.51,;15.41,-18.05,;16.75,-18.82,;16.75,-20.36,;18.08,-21.13,;19.42,-20.36,;19.42,-18.82,;20.75,-21.13,;22.08,-20.36,;22.24,-18.83,;23.75,-18.51,;24.52,-19.84,;26.05,-20.01,;23.49,-20.99,;23.47,-22.53,;15.41,-21.13,;15.41,-22.67,;14.08,-20.36,;12.75,-21.13,;12.75,-22.67,;13.93,-23.66,;15.4,-23.2,;16.28,-24.46,;17.8,-24.74,;18.32,-26.18,;17.33,-27.35,;17.85,-28.8,;19.37,-29.07,;20.36,-27.89,;19.83,-26.44,;15.36,-25.69,;13.9,-25.2,;12.56,-25.96,;11.41,-20.36,;11.41,-18.82,;10.08,-21.13,;8.75,-20.36,;8.75,-18.82,;7.42,-18.05,;6.08,-18.82,;4.99,-17.71,;6.08,-20.36,;7.41,-21.14,;40.76,-9.58,;40.75,-11.11,;42.07,-11.88,;43.4,-11.11,;43.4,-9.59,;42.09,-8.83,;42.09,-7.29,;40.76,-6.52,;40.77,-4.98,;44.73,-11.88,;44.74,-13.42,;46.07,-14.19,;46.07,-11.11,;46.07,-9.57,)|
BDBM50009575 CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50028423 C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F |r,c:18|
BDBM50030814 CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
BDBM50030815 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
BDBM50028420 C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1F |r,c:18|
BDBM50150942 CCCCOC(=O)NS(=O)(=O)c1cc(CC(C)C)ccc1-c1cccc(Cn2ccnc2)c1
BDBM50145197 CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
BDBM50159151 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50159152 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50159153 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50159154 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCOCCOCCNC(=O)CC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50159157 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CCCCC[n+]1cc(ccc1\C=C\c1cc2ccc(cc2oc1=O)N(CC)CC)S([O-])(=O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50187505 CN(Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)C(=O)CCC(O)=O
BDBM50187506 CN(Cc1cn(nc1-c1ccc(F)cc1)-c1ccccc1)C(=O)CCC(O)=O
BDBM50187507 Cc1ccc(CN(c2ccc(cc2)C(=O)NCc2ccccn2)S(C)(=O)=O)cc1
BDBM50187509 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
BDBM50159215 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCCCCNC(=O)\N=C(/N)NCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM50155247 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:20.21,64.66,8.8,35.36,2.2,wD:60.63,4.4,47.47,24.25,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.34,-.77,;-1.34,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-6.41,-14.8,;-5.35,-16.65,;-1.34,-5.4,;-2.41,-6.02,;-1.34,-4.17,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|
BDBM50159159 [Br-].OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN\C(N)=N\C(=O)NCCCCNC(=O)CCCCCN1\C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O |c:79|
BDBM50212844 CCCCc1cn(-c2ccccc2C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
BDBM50212845 CCCCc1cn(-c2c(CC)cccc2CC)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1 |(.63,-7.73,;-.9,-7.51,;-1.46,-6.08,;-3,-5.83,;-3.56,-4.39,;-5.03,-3.99,;-5.12,-2.47,;-6.45,-1.7,;-6.45,-.15,;-5.12,.62,;-5.14,2.16,;-7.79,.62,;-9.12,-.16,;-9.12,-1.7,;-7.79,-2.47,;-7.79,-4.01,;-9.12,-4.77,;-3.7,-1.91,;-3.3,-.4,;-2.72,-3.08,;-1.18,-3,;-.48,-1.64,;1.06,-1.55,;1.75,-.17,;.92,1.13,;-.62,1.04,;-1.32,-.33,;1.61,2.49,;3.15,2.58,;3.85,3.95,;3.01,5.26,;1.48,5.16,;.78,3.79,;-.76,3.7,;-1.54,2.39,;-3.04,2.74,;-3.18,4.24,;-1.79,4.86,)|
BDBM50212846 CCCCc1cn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
BDBM50212847 CCCCc1cn(-c2c(cccc2C(C)C)C(C)C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1 |(.63,-7.72,;-.9,-7.5,;-1.46,-6.07,;-2.99,-5.82,;-3.55,-4.38,;-5.03,-3.99,;-5.12,-2.47,;-6.44,-1.7,;-7.79,-2.47,;-9.11,-1.7,;-9.11,-.16,;-7.79,.62,;-6.44,-.15,;-5.12,.62,;-5.13,2.16,;-6.46,1.39,;-7.79,-4,;-9.11,-4.77,;-6.44,-4.77,;-3.69,-1.91,;-3.3,-.4,;-2.71,-3.08,;-1.18,-3,;-.48,-1.64,;1.05,-1.54,;1.75,-.17,;.92,1.13,;-.62,1.04,;-1.32,-.33,;1.61,2.49,;3.15,2.57,;3.85,3.95,;3.01,5.25,;1.47,5.16,;.78,3.78,;-.76,3.7,;-1.54,2.39,;-3.04,2.74,;-3.18,4.23,;-1.78,4.85,)|
BDBM50212848 CCCCc1cn(-c2ccccc2)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
BDBM50213455 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Nc1ccccc1
BDBM50213456 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCC1
BDBM50213457 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50213458 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccc(F)cc1
BDBM50213459 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Nc1ccc(C)cc1
BDBM50213488 CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50213489 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCCc1ccccc1
BDBM50213499 CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1
BDBM50213500 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1cccs1
BDBM50213504 CCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213505 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1
BDBM50213551 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCc1cccs1
BDBM50213552 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCc1ccccc1
BDBM50213554 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50211282 CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212649 CCCCc1nc2cccc(C(O)=O)c2nc1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212650 CCCCc1nc2ccccc2[n+]([O-])c1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212850 CCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
BDBM50212851 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(s1)-c1ccccc1-c1nn[nH]n1
BDBM50212852 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccoc1-c1nn[nH]n1
BDBM50212853 CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1cscc1-c1nn[nH]n1
BDBM50213083 CCCCc1nc2ccc(CN)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213084 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(CC)OC
BDBM50213555 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC(c1ccccc1)c1ccccc1
BDBM50213556 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC
BDBM50213557 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC
BDBM50213560 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)N(c1ccccc1)c1ccccc1
BDBM50213561 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1cccs1
BDBM50213562 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)c1ccccc1
BDBM50212651 CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)[n+]([O-])c2ccccc2[n+]1[O-]
BDBM50212691 CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
BDBM50212692 CCCCc1nc2ccccc2nc1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213085 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)N
BDBM50213086 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)OC
BDBM50213087 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O
BDBM50213089 CCCCc1nc2ccc(C)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213192 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(OC)c1ccccc1
BDBM50213193 CCCCc1nc2ccc(CO)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213564 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1
BDBM50213567 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCC1CCCCC1
BDBM50213568 CCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)Cc1ccccc1Cl
BDBM50213569 CCCCNC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc(SC)c2C(O)=O)cc1
BDBM50213583 CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CCC
BDBM50213591 CCCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NCc1ccccc1
BDBM50213194 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)CC
BDBM50213195 CCCCc1nc2ccc(COC)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213198 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)O
BDBM50213199 CCC1Nc2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213200 CCCCC1(CCCC)Nc2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212898 CCCCc1nc(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nn1CCCC
BDBM50212825 FC(F)(F)c1nc2CCCCc2c(NCc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)n1
BDBM50212826 Oc1c(-c2ccccc2-c2ccc(CNc3nc(nc4CCCCc34)C(F)(F)F)cc2)c(=O)c1=O |(19.69,-5.71,;18.15,-5.71,;17.05,-6.79,;17.07,-8.34,;18.41,-9.11,;18.41,-10.65,;17.07,-11.43,;15.74,-10.65,;15.74,-9.11,;14.39,-8.34,;14.39,-6.8,;13.06,-6.03,;11.73,-6.82,;10.39,-6.06,;9.04,-6.83,;7.69,-6.09,;6.37,-6.86,;5.04,-6.1,;5.03,-4.56,;6.36,-3.79,;6.35,-2.26,;7.67,-1.5,;9,-2.26,;9,-3.79,;7.68,-4.55,;3.71,-6.9,;2.37,-6.13,;3.72,-8.44,;3.3,-5.4,;11.74,-8.36,;13.08,-9.11,;15.97,-5.72,;14.43,-5.73,;17.05,-4.63,;17.05,-3.09,)|
BDBM50212828 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
BDBM50212829 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)C(F)(F)F
BDBM50212830 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)F
BDBM50212831 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)F
BDBM50212832 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
BDBM50212833 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)F
BDBM50212834 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)C(F)(F)C(F)(F)F
BDBM50212835 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F
BDBM50212836 CCCCc1nc(C(=O)OCC)c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212837 CCCCc1nc2cnncc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50212838 CCCCc1nc2cnnc(O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212841 CCCCc1nc2ccnc(O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212843 CCCCc1cn(-c2ccccc2CC)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1
BDBM50213201 CCCC1N(C)c2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50213202 CCCCC1Nc2ccc(cc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)C
BDBM50213203 CCCCC1Nc2ccccc2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50212952 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1OCC=C1 |c:41|
BDBM261615 OC(=O)[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM50213550 CCCCc1nc(SC(F)F)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)CC1CCCCC1
BDBM50213565 CCCc1nc(SC)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)NC1CCCCC1
BDBM50212839 CCCCc1nc2cnn(Cc3ccc(cc3)-c3ccccc3C(=O)OC)cc2n1
BDBM50212840 CCCCc1nc2cnn(C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50212849 CCCCc1cn(-c2c(C)cccc2C)c(=O)n1Cc1ccc(nc1)-c1ccccc1-c1nn[nH]n1 |(.63,-7.72,;-.9,-7.5,;-1.46,-6.07,;-2.99,-5.82,;-3.55,-4.38,;-5.03,-3.99,;-5.12,-2.47,;-6.44,-1.7,;-7.79,-2.47,;-7.79,-4,;-9.11,-1.7,;-9.11,-.16,;-7.79,.62,;-6.44,-.15,;-5.12,.62,;-3.69,-1.91,;-3.3,-.4,;-2.71,-3.08,;-1.18,-3,;-.48,-1.64,;1.05,-1.54,;1.75,-.17,;.92,1.13,;-.62,1.04,;-1.32,-.33,;1.61,2.49,;3.15,2.57,;3.85,3.95,;3.01,5.25,;1.47,5.16,;.78,3.78,;-.76,3.7,;-1.54,2.39,;-3.04,2.74,;-3.18,4.23,;-1.78,4.85,)|
BDBM50213082 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)CO
BDBM50213088 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(O)C(C)(C)C
BDBM50213196 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)OC
BDBM50213197 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)NC(C)=O
BDBM50212897 CCCCc1nc(Cc2ccc(cc2)-c2ccccc2C(O)=O)n(CCCC)n1
BDBM50212951 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccco1
BDBM50212953 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1cccs1
BDBM50212954 CCCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C1CCCO1
BDBM50212348 CCCCc1nc(Cl)c(C=O)n1Cc1ccc2C3C(C(C(c4ccccc34)c2c1)C(O)=O)C(O)=O |TLB:28:27:19.18:21.26,22:21:16.27:19.18,32:18:16.27:21.26,THB:29:19:16.27:21.26,15:16:19.18:21.26|
BDBM50212349 CCCCc1nc(Cl)c(C=O)n1Cc1ccc2C3C(C(C(c4ccccc34)c2c1)c1nn[nH]n1)c1nn[nH]n1 |TLB:22:21:19.18:16.27,28:27:19.18:26.21,34:18:16.27:26.21,THB:15:16:19.18:26.21,29:19:16.27:26.21|
BDBM50212350 CCCCc1nc(Sc2ccccc2)c(C=O)n1Cc1ccc2C3C(C(C(c4ccccc34)c2c1)c1nn[nH]n1)c1nn[nH]n1 |TLB:28:27:25.24:22.33,34:33:25.24:32.27,40:24:22.33:32.27,THB:21:22:25.24:32.27,35:25:22.33:32.27|
BDBM50212351 CCCCc1nc(Cl)c(C=O)n1Cc1ccc-2c(c1)C(Cc1nn[nH]n1)c1ccccc-21
BDBM50212352 CCCCc1nc(Cl)c(C=O)n1Cc1ccc2-c3ccccc3C(O)(C(O)=O)c2c1
BDBM50212353 CCCCc1nc(Cl)c(C=O)n1Cc1ccc-2c(c1)C(C(O)=O)c1ccccc-21
BDBM50212354 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)N1C(=O)C2(C)CC(C)(CC(C)(C2)C1=O)C(O)=O |TLB:33:32:31:26.28.25,27:26:20.32.21:31,THB:22:21:31:26.28.25,34:26:20.32.21:31|
BDBM261612 OC(=O)[C@@H]1CN(CCN1C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 |r|
BDBM261613 OC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM261614 OC(=O)[C@@H]1CN(CCN1C(=O)C(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)n(n1)-c1ccccc1 |r|
BDBM261616 OC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM261617 OC(=O)[C@@H]1CN(C\C=C\c2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM261619 Cc1cc(N2CCN([C@@H](C2)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)n(Cc2ccccc2)n1 |r|
BDBM261620 OC(=O)[C@@H]1CN(CCN1C(=O)C(c1ccccc1)c1ccccc1)c1cc(nn1Cc1ccccc1)C(F)(F)F |r|
BDBM261621 OC(=O)[C@@H]1CN(CC#Cc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM261622 OC(=O)[C@@H]1CN(CC#Cc2ccc(F)cc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM261623 OC(=O)[C@@H]1CN(CCC#Cc2ccccc2)CCN1C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM263926 COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM263925 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ccc(O)c2OCc1ccccc1 |r|
BDBM263928 COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccccc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM263929 COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C)C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM263930 COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM263931 COc1ccc2CN([C@@H](Cc2c1OCC#Cc1ccc(F)cc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1 |r|
BDBM263923 CC(F)(F)c1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O |r,c:11|
BDBM50226728 CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
BDBM50226729 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
BDBM50226731 CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
BDBM50226732 CCCCc1nc(Cl)c(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
BDBM50226733 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
BDBM50226534 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C2CCCCC2NS(=O)(=O)C(F)(F)F)cc1
BDBM50226736 CCCCc1nc(Cl)c(CO)n1Cc1ccc(\C=C\c2ccccc2C(O)=O)cc1
BDBM50226734 CCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
BDBM50226737 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
BDBM50226739 CCCCc1nc(Cl)c(CO)n1Cc1ccc(Oc2ccccc2C(O)=O)cc1
BDBM50226741 CCCCc1nc(Cl)c(CO)n1Cc1ccc(Sc2ccccc2C(O)=O)cc1
BDBM50228968 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)N(C)c2ccccc2)cc1C
BDBM50228877 OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
BDBM50229010 CN(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccccc1
BDBM50226742 CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
BDBM50226743 CCCCc1nc(COC(C)=O)c(Cl)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
BDBM50226721 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1
BDBM50226535 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C(F)(F)F)cc1
BDBM50230433 OC(=O)c1ccccc1-c1ccc(Cn2cnc3ccccc23)cc1
BDBM50230435 CCCCc1nc2cc(F)ccc2n1Cc1ccc(cc1)C(O)=O
BDBM50230436 CCCCc1nc2ccccc2n1Cc1ccc(cc1F)C(O)=O
BDBM50226539 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50226540 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(cc1)N1C(=O)c2ccccc2C1=O
BDBM50230762 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)S(N)(=O)=O
BDBM50230768 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(Cl)c1Cl
BDBM50229507 CCCCc1nc(Cl)c(CO)n1Cc1cc(OC)c(c(OC)c1)-c1ccccc1C(O)=O |(1.34,-22.87,;2.39,-21.73,;1.91,-20.26,;2.95,-19.12,;2.48,-17.66,;1.01,-17.18,;1.03,-15.64,;-.21,-14.72,;2.5,-15.17,;2.97,-13.7,;4.49,-13.39,;3.39,-16.41,;4.93,-16.43,;5.7,-17.76,;7.23,-17.76,;7.99,-19.09,;9.53,-19.09,;10.31,-17.76,;7.22,-20.42,;5.68,-20.42,;4.9,-21.75,;3.36,-21.75,;4.91,-19.09,;7.99,-21.77,;7.21,-23.08,;7.96,-24.43,;9.5,-24.44,;10.29,-23.1,;9.52,-21.77,;10.83,-20.98,;12.02,-21.99,;11.11,-19.47,)|
BDBM50226427 OCc1cncn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226533 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N1CCC[C@@H]1C(O)=O
BDBM50226532 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1
BDBM50226720 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
BDBM50222260 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)\C=C/C(O)=O)cc1
BDBM50230437 CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(OC)c1
BDBM50230439 CCCCc1nc2ccccc2n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O
BDBM50230440 CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(Br)c1
BDBM50230539 CCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O
BDBM50230789 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1-c1ccc(cc1)C(O)=O
BDBM50230800 CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1C(F)(F)F
BDBM50230801 CCCCc1ncc(CC(Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230808 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C#N
BDBM50223500 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1C(O)=O
BDBM50226424 CC(C)c1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50226723 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1
BDBM50226724 CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)C(O)=O
BDBM50226725 CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)C(F)(F)F)cc1
BDBM50226726 CCCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
BDBM50226727 CCCCc1nc(Cl)c(COC)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
BDBM50226531 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)[N+]([O-])=O)cc1
BDBM50228880 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCC1CCCCC1
BDBM50228883 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CCCc1ccccc1
BDBM50229021 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(Cc2ccccc2)c2ccccc2)cc1C
BDBM50229022 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C)(c2ccccc2)c2ccccc2)cc1C
BDBM50226471 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O
BDBM50226513 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)N(C)C(=O)c1c(Cl)ccc(Cl)c1C(O)=O
BDBM50226514 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1
BDBM50226520 CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccc(CC(O)=O)cc1
BDBM50226529 CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50229431 CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(F)(F)F
BDBM50229433 CCCCc1nc(Br)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229434 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1Cc1nnn[nH]1
BDBM50229487 CCCCc1nc(Cl)c(C(=O)N(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50226740 CCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
BDBM50230770 CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
BDBM50230885 CCCc1nc(c(C(N)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O
BDBM50230888 CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230893 Cc1ccc(C)n1-c1nc(C2CC2)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(14.26,-14.55,;15.71,-14.07,;16.95,-14.97,;18.19,-14.05,;17.71,-12.59,;18.48,-11.85,;16.18,-12.61,;15.26,-11.37,;13.73,-11.37,;13.25,-9.91,;11.79,-9.43,;10.76,-8.29,;10.28,-9.75,;14.49,-9.01,;14.49,-7.46,;13.15,-6.7,;13.13,-5.14,;11.79,-4.39,;10.47,-5.17,;10.47,-6.7,;11.81,-7.46,;9.14,-4.4,;7.81,-5.17,;6.47,-4.4,;6.47,-2.84,;7.81,-2.08,;9.14,-2.84,;10.45,-2.07,;10.61,-.54,;12.11,-.2,;12.89,-1.54,;11.85,-2.68,;15.74,-9.9,;17.2,-9.43,;18.34,-10.45,;17.51,-7.94,)|
BDBM50230899 CCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230905 CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230911 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)=O
BDBM50230795 CC(C)CCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230796 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50230916 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C
BDBM50228893 O.OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2CC1CCCCC1
BDBM50228894 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |wU:57.60,4.4,44.44,24.25,wD:20.21,8.8,61.64,2.2,(10.41,1.37,;9.34,.76,;9.34,-.78,;10.41,-1.4,;8.01,-1.55,;6.67,-.78,;5.34,-1.55,;5.33,-2.78,;4,-.77,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.34,.77,;-2.41,1.39,;-1.34,-.77,;,-1.54,;4.01,.77,;5.35,1.53,;6.41,.91,;5.35,3.07,;6.69,3.84,;8.02,3.06,;8.02,1.83,;9.36,3.83,;10.7,3.06,;12.03,3.82,;13.37,3.05,;14.71,3.81,;16.04,3.04,;17.11,3.65,;16.03,1.81,;9.36,5.37,;8.03,6.14,;7.14,5.63,;8.03,7.68,;6.7,8.46,;6.7,9.48,;4.02,3.85,;2.95,3.24,;4.03,5.08,;8,-3.09,;6.94,-3.71,;9.34,-3.87,;9.33,-5.41,;10.67,-6.18,;12,-5.42,;13.4,-6.06,;14.43,-4.91,;13.66,-3.58,;12.15,-3.89,;8,-6.18,;7.11,-5.67,;8,-7.72,;9.25,-8.61,;8.77,-10.07,;7.23,-10.07,;6.76,-8.61,;5.3,-8.12,;5.05,-6.92,;4.14,-9.14,;2.68,-8.65,;2.44,-7.45,;1.52,-9.68,;1.73,-10.68,;.36,-9.29,)|
BDBM50228895 OC(=O)[C@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
BDBM50228896 CN(C)c1ccc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50228897 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)Cc2ccccc2)cc1C
BDBM50228898 OC(=O)C1Cc2c(CN1C(=O)C1c3ccccc3-c3ccccc13)ncn2Cc1ccccc1
BDBM50230882 CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50230884 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F
BDBM50230887 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(O)C(F)(F)F
BDBM50230889 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50226538 CCCCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50228899 CCN(CC)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50228900 COc1ccc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50228901 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(N(C)C)c(C)c1
BDBM50230891 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C=O
BDBM50230895 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)OC
BDBM50230896 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|
BDBM50230897 CCCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230898 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(c1)C(=O)OCC
BDBM50230900 CCCc1nc(c(\C=C(/C)C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230901 CCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230902 CCCc1nc(c(\C=C(/C)C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230903 COC(=O)c1c(nc(C2CC2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(19.81,-9.98,;18.35,-10.45,;17.22,-9.43,;17.52,-7.94,;15.77,-9.9,;15.29,-11.37,;13.75,-11.37,;13.28,-9.91,;11.81,-9.43,;10.77,-8.29,;10.29,-9.75,;14.5,-9.01,;14.5,-7.46,;13.16,-6.7,;13.16,-5.14,;11.82,-4.39,;10.48,-5.17,;10.48,-6.7,;11.82,-7.46,;9.15,-4.4,;7.83,-5.17,;6.51,-4.4,;6.51,-2.84,;7.83,-2.08,;9.15,-2.84,;10.48,-2.07,;10.63,-.54,;12.14,-.2,;12.9,-1.54,;11.89,-2.68,;16.2,-12.61,;15.74,-14.07,;14.27,-14.55,;16.98,-14.97,;18.22,-14.05,;17.74,-12.59,;18.51,-11.85,)|
BDBM50230906 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|
BDBM50230907 CCCc1nc(c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;13.91,-9.05,;12.58,-8.29,;12.58,-6.76,;13.89,-5.99,;15.23,-6.73,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|
BDBM50230909 CCCc1nc(c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230910 CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230912 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230914 CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(Cl)ccc1Cl |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,;23.03,-12.59,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;19.81,-14.18,;21.14,-13.41,;20.29,-15.64,;19.05,-16.57,;17.81,-15.66,;16.33,-16.06,)|
BDBM50230915 CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,)|
BDBM50230918 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(O)=O)c1C
BDBM50230919 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50230920 CCCCc1nc(c(C(=O)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230099 CCCCc1ncc(\C=C\C=C\C(O)=O)n1Cc1ccccc1Cl
BDBM50230103 CCCCc1ncc(\C=C(/Cc2c[nH]cn2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230104 CCCCc1ncc(CCC(O)=O)n1Cc1ccccc1Cl
BDBM50230105 CCCCc1ncc(\C=C(/Cc2cccnc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230106 CCCCC(\C(=C/c1cnc(CCCC)n1Cc1ccccc1Cl)C(O)=O)c1cccs1
BDBM50230108 CCCCc1ncc(\C=C/C(O)=O)n1Cc1ccccc1Cl
BDBM50230111 CCCCc1ncc(\C(C)=C\C(O)=O)n1Cc1ccccc1Cl
BDBM50230112 CCCCc1ncc(\C(Cc2ccccc2)=C\C(O)=O)n1Cc1ccccc1Cl
BDBM50230114 CCCCc1ncc(\C=C(/Cc2ccncc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50226730 CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
BDBM50226738 CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
BDBM50230760 CC\C=C\c1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230769 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(CC(O)=O)cc1
BDBM50230877 CCCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1C(=O)C(F)(F)F
BDBM50229435 CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50230881 CCCc1nc(c(\C=C\C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.3,-11.62,;12.77,-12.09,;13.92,-11.05,;15.38,-11.53,;15.86,-12.98,;17.39,-12.98,;17.87,-11.49,;19.34,-11.05,;19.65,-9.55,;21.09,-9.07,;22.24,-10.09,;21.41,-7.57,;16.62,-10.62,;16.62,-9.07,;15.28,-8.3,;15.26,-6.74,;13.92,-6,;12.6,-6.77,;12.6,-8.3,;13.94,-9.07,;11.26,-6.01,;9.93,-6.77,;8.59,-6.01,;8.59,-4.44,;9.93,-3.68,;11.26,-4.44,;12.58,-3.67,;12.74,-2.14,;14.24,-1.8,;15.02,-3.14,;13.98,-4.28,;18.32,-14.23,;19.85,-14.2,;20.74,-12.96,;20.33,-15.67,;19.08,-16.6,;17.84,-15.69,;16.39,-16.17,)|
BDBM50229441 [H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)OC(=O)NCc1c(Cl)nc(CCCC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5,5:6:11:3.12.2|
BDBM50229444 CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229449 CCCCc1nc(Cl)c(\C=N\NC2=NCCN2)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1 |t:12|
BDBM50229458 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NOC
BDBM50229480 CCCCc1nc(Cl)c(CNC(=O)Nc2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229483 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1[nH]nnc1C(=O)OC
BDBM50229440 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cc(OC)ccc1-c1nn[nH]n1
BDBM50229442 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1c(OC)cccc1C(O)=O
BDBM50229464 CCCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229485 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NO
BDBM50229489 CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50226525 CCCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
BDBM50229465 CCCCc1nc(I)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229467 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1ccccc1C(=O)NNS(=O)(=O)C(F)(F)F
BDBM50229469 CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(F)(F)F
BDBM50229472 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(=O)NOCc1ccccc1
BDBM50229473 CCCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O)[N+]([O-])=O
BDBM50229474 CCCCc1nc(Br)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229475 CCCc1nc(C)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50226466 CCCCc1nc(Cl)c(CO)n1Cc1ccc(\C=N\O)cc1
BDBM50229476 CC\C=C\c1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50230092 CCCCc1ncc(\C=C(\Cc2ccco2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230093 CCCCc1ncc(\C=C(\C(O)=O)c2ccc3ccccc3c2)n1Cc1ccccc1Cl
BDBM50230094 CCCCc1ncc(\C=C(/CCc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230096 CCCCc1ncc(\C=C(/Cc2cccc(OC)c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230097 CCCCc1ncc(\C=C(\C(O)=O)c2ccccc2)n1Cc1ccccc1Cl
BDBM50229502 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(C(N)=O)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O
BDBM50229503 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(O)cc1)C(C)C)C(O)=O
BDBM50230878 CCCc1nc(c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;21.3,-13.78,)|
BDBM50230883 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1c(C)ccc1C |(11.28,-11.6,;12.74,-12.07,;13.89,-11.03,;15.36,-11.5,;15.83,-12.96,;17.36,-12.96,;17.84,-11.47,;19.3,-11.03,;20.44,-12.04,;19.61,-9.53,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;18.28,-14.2,;17.81,-15.66,;16.36,-16.14,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,)|
BDBM50230886 CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1ccc(C(=O)OC)c1C
BDBM50230890 CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230880 CCCCc1nc(c(C#N)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-n1cccc1
BDBM50230079 CCCCc1ncc(\C=C(/Cc2ccc(O)cc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230080 CCCCc1ncc(\C=C(/Cc2ccccn2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230424 Cl.CCCCc1nc2ccccc2n1Cc1ccc(cc1)C1=NNNN1 |t:23|
BDBM50230426 CCCCc1nc(Cl)c2COc3cc(ccc3Cn12)-c1ccccc1C(O)=O
BDBM50230427 CCCCc1nc2ccccc2n1Cc1ccc(cc1Br)C(O)=O
BDBM50230428 CCCCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O
BDBM50230429 CCCCc1nc2ccc(F)cc2n1Cc1ccc(cc1)C(O)=O
BDBM50230430 CCCCc1nc(Cl)c2COc3cc(ccc3Cn12)C(O)=O
BDBM50230431 CCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O
BDBM50230432 CCCCc1nc2ccccc2n1Cc1ccc(cc1OC)C(O)=O
BDBM50230438 CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(O)=O
BDBM50048131 CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)C(N)[C@H](CC(C)C)C(C)=O |r|
BDBM50230773 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1CCc1ccc(cc1)C(O)=O
BDBM50230775 CCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230776 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(OC)c(C)c1
BDBM50230779 CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccc(cc1)C(O)=O
BDBM50230081 CCCCc1ncc(-c2ccccc2C(O)=O)n1Cc1ccccc1Cl
BDBM50226722 OC(=O)c1ccccc1C(=O)Nc1ccc(Cn2ccnc2CC2CCCCC2)cc1
BDBM50226735 CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
BDBM50230082 CCCCc1ncc(-c2cccc(c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230084 CCCCc1ncc(\C=C(/C)C(O)=O)n1Cc1ccccc1Cl
BDBM50230085 CCCCc1ncc(\C=C(/Cc2ccc(OC)cc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230086 CCCCc1ncc(\C=C(/Cc2ccc(cc2)N(C)C)C(O)=O)n1Cc1ccccc1Cl
BDBM50230087 CCCCc1ncc(\C=C(/C(C)c2ccccc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230088 CCCCc1ncc(\C=C(/Cc2ccc(O)c(O)c2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230090 CCCC\C(=C/C(O)=O)c1cnc(CCCC)n1Cc1ccccc1Cl
BDBM50230091 CCCCc1ncc(\C(C)=C(/Cc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230763 CCCCc1ncc(\C=C\C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230764 CCCCc1ncc(\C=C(/Cc2cccs2)C(=O)NCC(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230765 CCCCc1cnc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230766 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C(F)(F)F
BDBM50230767 CCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230771 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(O)c1
BDBM50230777 CCCCc1ncc(\C=C(/Cc2cccs2)C(N)=O)n1Cc1ccc(cc1)C(N)=O
BDBM50230781 CCCCc1ncc(\C=C(/CC2CCCS2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230783 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C#N
BDBM50230809 CCCC\C(=C/c1cnc(CCCC)n1Cc1ccc(cc1)C(O)=O)C(O)=O
BDBM50229011 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1F
BDBM50229012 OC(=O)C1Cc2c(CN1S(=O)(=O)Cc1ccccc1)ncn2Cc1ccccc1
BDBM50229013 COc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccc(OC)c(C)c3)c2C[C@H]1C(O)=O)c1ccc(OC)cc1
BDBM50229014 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C2CCCC2)c2ccccc2)cc1C
BDBM50229015 OC(=O)C1Cc2c(CN1C(=O)Oc1ccccc1)ncn2Cc1ccccc1
BDBM50229016 Cc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50229017 Cc1cc(Cn2cnc3CN(C(CO)Cc23)C(=O)C(c2ccccc2)c2ccccc2)ccc1[N+]([O-])=O
BDBM50230879 CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(=O)OC |(13.76,-15.58,;15.23,-15.1,;16.36,-16.14,;17.81,-15.66,;19.05,-16.57,;20.29,-15.64,;19.81,-14.18,;20.89,-13.6,;18.28,-14.2,;17.36,-12.96,;15.83,-12.96,;15.36,-11.5,;13.89,-11.03,;12.74,-12.07,;11.28,-11.6,;16.59,-10.6,;16.59,-9.05,;15.25,-8.29,;15.23,-6.73,;13.89,-5.99,;12.58,-6.76,;12.58,-8.29,;13.91,-9.05,;11.24,-6,;9.91,-6.76,;8.57,-6,;8.57,-4.44,;9.91,-3.67,;11.24,-4.44,;12.55,-3.66,;12.71,-2.13,;14.21,-1.79,;14.99,-3.13,;13.95,-4.28,;17.84,-11.47,;19.3,-11.03,;19.61,-9.53,;20.44,-12.04,;21.88,-11.57,)|
BDBM50230784 CCCCc1ncc(C\C(=C\c2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230785 CCCCc1ncc(\C=C(/Cc2cccs2)C(N)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230786 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(c1)[N+]([O-])=O
BDBM50230787 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(c1)-c1ccccc1
BDBM50229018 OC(=O)C1Cc2c(CN1C(=O)CCc1ccccc1)ncn2Cc1ccccc1
BDBM50229020 CN(C)c1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50228973 COc1ccc(Cn2cnc3CN(CCc23)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50228990 COc1cccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)c1
BDBM50228998 CC(=O)Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50228999 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(C)c2ccccc2)cc1C
BDBM50229023 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
BDBM50230792 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(c1)C(O)=O
BDBM50230793 CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1cccc(Cl)c1Cl
BDBM50230794 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(OC)c1[N+]([O-])=O
BDBM50230434 CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(C)c1
BDBM50230441 CCCCc1nccn1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50229912 CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50229913 CCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
BDBM50230790 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O
BDBM50230791 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(=O)OCC
BDBM50230797 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(I)cc1
BDBM50230798 CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1[N+]([O-])=O
BDBM50230799 CCCCc1ncc(\C=C(/CCc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230802 CCCCc1nc(Cc2cccs2)c(\C=C\C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230803 CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230804 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(=O)OC
BDBM50230805 CCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
BDBM50230806 CCCCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
BDBM50230807 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cccc(OC)c1
BDBM50229418 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(C)C)C(O)=O
BDBM50230810 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(c1)C(O)=O
BDBM50230811 CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)-c1nn[nH]n1
BDBM50230772 CCCc1cccc(\C=C(/Cc2cccs2)C(O)=O)c1Cc1ccc(cc1)C(O)=O
BDBM50230098 CCCCc1ncc(\C=C(/Cc2ccoc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230109 CCCCc1ncc(\C=C(/CCc2cccs2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230110 CCCCc1ncc(\C=C(\Cc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
BDBM50230780 CCCCc1ncc(\C=C(\C(O)=O)C(C)(C)c2cccs2)n1Cc1ccc(cc1)C(O)=O
BDBM50230788 CCCCc1ncc(\C=C(/Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl
BDBM50228199 CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.62,39.39,46.46,27.26,18.18,7.7,wD:3.3,63.65,(-.29,-6,;-1.35,-5.38,;-2.42,-5.99,;-1.34,-3.84,;-2.68,-3.06,;-4.01,-3.83,;-4.02,-5.06,;-5.35,-3.05,;-5.34,-1.51,;-6.67,-.74,;-6.67,.8,;-8,1.57,;-8,3.11,;-9.06,3.73,;-6.93,3.73,;-6.68,-3.82,;-8.01,-3.05,;-8.01,-1.81,;-9.35,-3.81,;-9.35,-5.04,;-10.68,-3.04,;-12.02,-3.8,;-12.02,-5.03,;-13.08,-3.18,;-.01,-3.07,;-0,-1.84,;1.33,-3.85,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;7.74,1.37,;6.66,-.78,;5.33,-1.54,;4,-3.85,;5.06,-3.24,;3.99,-5.39,;5.33,-6.17,;6.66,-5.4,;7.73,-6.02,;6.67,-4.17,;5.33,-7.71,;4.26,-8.32,;6.66,-8.48,;6.66,-10.02,;7.99,-10.8,;9.33,-10.03,;10.71,-10.67,;11.74,-9.53,;10.97,-8.19,;9.47,-8.51,;5.32,-10.79,;4.25,-10.18,;5.32,-12.34,;6.57,-13.21,;6.1,-14.68,;4.56,-14.69,;4.08,-13.22,;2.62,-12.73,;1.69,-13.55,;2.31,-11.22,;.85,-10.74,;.53,-9.23,;-.92,-8.74,;-1.24,-7.23,;-2.7,-6.75,;-3.85,-7.77,;-3.54,-9.28,;-2.07,-9.76,;-.31,-11.76,;-.06,-12.96,;-1.48,-11.37,)|
BDBM50228201 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,60.62,wD:43.43,24.23,6.5,(-1.11,-12.66,;-1.11,-11.12,;.24,-10.35,;1.55,-11.12,;1.55,-12.66,;2.9,-10.35,;4.24,-11.12,;4.24,-12.66,;5.56,-13.44,;5.56,-14.98,;6.9,-15.75,;6.9,-17.28,;8.25,-18.05,;5.56,-18.05,;5.56,-10.35,;5.56,-8.81,;6.9,-11.12,;8.25,-10.35,;8.25,-8.81,;9.56,-8.02,;6.9,-8.02,;9.56,-11.12,;9.56,-12.66,;10.91,-10.35,;12.25,-11.12,;12.25,-12.66,;13.57,-13.44,;13.57,-14.98,;14.91,-15.75,;16.26,-14.98,;17.57,-15.75,;16.26,-13.44,;14.91,-12.66,;13.57,-10.35,;13.57,-8.81,;14.91,-11.12,;16.26,-10.35,;16.26,-8.81,;17.57,-8.02,;14.91,-8.02,;17.57,-11.12,;17.57,-12.66,;18.92,-10.35,;20.27,-11.12,;20.27,-12.66,;20.81,-14.14,;20.59,-15.7,;22.19,-16.42,;23.31,-15.06,;22.28,-13.86,;21.58,-10.35,;21.58,-8.81,;22.93,-11.12,;23.09,-12.66,;24.59,-12.98,;25.36,-11.64,;24.34,-10.49,;24.66,-8.98,;26.13,-8.5,;23.5,-7.96,;23.85,-6.45,;25.39,-5.8,;26.45,-4.72,;25.97,-3.27,;27,-2.13,;28.5,-2.47,;28.98,-3.94,;27.93,-5.04,;29.56,-1.32,;29.08,.15,;30.14,1.3,;31.66,.98,;32.12,-.51,;31.09,-1.65,;22.7,-5.42,;23.02,-3.91,;21.23,-5.9,)|
BDBM50228202 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O |wU:36.36,17.16,56.59,wD:43.43,24.23,6.5,(1.06,-8.48,;1.83,-7.17,;3.16,-6.41,;4.5,-7.17,;4.5,-8.7,;5.8,-6.41,;7.14,-7.17,;7.14,-8.7,;8.45,-9.47,;8.45,-10.99,;9.78,-11.78,;9.78,-13.31,;11.12,-14.07,;8.45,-14.07,;8.45,-6.41,;8.45,-4.88,;9.78,-7.17,;11.12,-6.41,;11.12,-4.88,;12.46,-4.11,;9.78,-4.11,;12.46,-7.17,;12.46,-8.7,;13.76,-6.41,;15.1,-7.17,;15.1,-8.7,;16.44,-9.47,;17.74,-8.7,;19.08,-9.47,;19.08,-10.99,;20.42,-11.78,;17.74,-11.78,;16.44,-10.99,;16.44,-6.41,;16.44,-4.88,;17.74,-7.17,;19.08,-6.41,;19.08,-4.88,;20.42,-4.11,;17.74,-4.11,;20.42,-7.17,;20.42,-8.7,;21.72,-6.41,;23.06,-7.17,;23.06,-8.7,;23.63,-10.17,;23.19,-11.76,;24.62,-12.62,;25.89,-11.52,;25.18,-10.17,;24.4,-6.41,;24.4,-4.88,;25.7,-7.17,;25.86,-8.7,;27.36,-9.02,;28.15,-7.68,;27.1,-6.54,;27.42,-5.04,;26.31,-4.02,;28.89,-4.58,)|
BDBM50228203 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,60.62,6.5,(-1.11,-12.7,;-1.11,-11.16,;.24,-10.39,;1.55,-11.16,;1.55,-12.7,;2.9,-10.39,;4.24,-11.16,;4.24,-12.7,;5.56,-13.47,;5.56,-15.01,;6.9,-15.78,;6.9,-17.32,;8.25,-18.09,;5.56,-18.09,;5.56,-10.39,;5.56,-8.86,;6.9,-11.16,;8.25,-10.39,;8.25,-8.86,;9.56,-8.05,;6.9,-8.05,;9.56,-11.16,;9.56,-12.7,;10.91,-10.39,;12.25,-11.16,;12.25,-12.7,;13.57,-13.47,;13.57,-15.01,;14.91,-15.78,;16.26,-15.01,;17.57,-15.78,;16.26,-13.47,;14.91,-12.7,;13.57,-10.39,;13.57,-8.86,;14.91,-11.16,;16.26,-10.39,;16.26,-8.86,;17.57,-8.05,;14.91,-8.05,;17.57,-11.16,;17.57,-12.7,;18.92,-10.39,;20.27,-11.16,;20.27,-12.7,;20.81,-14.18,;20.59,-15.75,;22.19,-16.45,;23.31,-15.11,;22.28,-13.91,;21.58,-10.39,;21.58,-8.86,;22.93,-11.16,;23.09,-12.7,;24.59,-13.02,;25.36,-11.68,;24.34,-10.52,;24.66,-9.02,;26.13,-8.54,;23.5,-7.99,;23.85,-6.48,;25.39,-5.84,;26.45,-4.75,;25.97,-3.31,;27,-2.18,;28.5,-2.51,;28.98,-3.98,;27.93,-5.1,;29.56,-1.36,;29.08,.12,;30.14,1.27,;31.66,.93,;32.12,-.56,;31.09,-1.7,;22.7,-5.46,;23.02,-3.95,;21.23,-5.94,)|
BDBM50228204 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:60.62,43.43,24.23,6.5,(2.9,-15.86,;2.9,-14.33,;4.23,-13.56,;5.56,-14.33,;5.56,-15.86,;6.9,-13.56,;8.24,-14.33,;8.24,-15.86,;9.56,-16.64,;9.56,-18.18,;10.91,-18.95,;10.91,-20.49,;12.24,-21.26,;9.56,-21.26,;9.56,-13.56,;9.56,-12.02,;10.91,-14.33,;12.24,-13.56,;12.24,-12.02,;13.57,-11.23,;10.91,-11.23,;13.57,-14.33,;13.57,-15.86,;14.91,-13.56,;16.25,-14.33,;16.25,-15.86,;17.57,-16.64,;17.57,-18.18,;18.92,-18.95,;20.25,-18.18,;21.58,-18.95,;20.25,-16.64,;18.92,-15.86,;17.57,-13.56,;17.57,-12.02,;18.92,-14.33,;20.25,-13.56,;20.25,-12.02,;21.58,-11.23,;18.92,-11.23,;21.58,-14.33,;21.58,-15.86,;22.93,-13.56,;24.26,-14.33,;24.26,-15.86,;24.82,-17.35,;24.98,-18.88,;26.48,-19.2,;27.27,-17.86,;26.23,-16.71,;25.59,-13.56,;25.59,-12.02,;26.93,-14.33,;27.09,-15.86,;28.6,-16.18,;29.37,-14.85,;28.34,-13.7,;28.66,-12.19,;30.13,-11.71,;27.51,-11.16,;27.85,-9.66,;29.3,-9.18,;29.62,-7.67,;31.09,-7.19,;31.41,-5.68,;30.26,-4.65,;28.79,-5.13,;28.47,-6.63,;30.84,-9.18,;31.6,-10.49,;33.14,-10.49,;33.89,-9.17,;33.12,-7.83,;31.58,-7.85,;26.7,-8.62,;27.02,-7.11,;25.23,-9.1,)|
BDBM50228958 OC(=O)C1Cc2c(CN1C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)ncn2Cc1ccccc1
BDBM50229421 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)=O
BDBM50229432 CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1NC(=O)C(F)(F)F
BDBM50230423 CCCCc1cc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50228959 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C
BDBM50228960 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccc(Cl)c1
BDBM50228961 O.CN(C)c1ccc(Cn2cnc3CN([C@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1C
BDBM50228962 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)CC23CC4CC(CC(C4)C2)C3)cc1C |TLB:25:26:30:24.23.29,THB:25:24:30:26.31.27,27:26:23:28.30.29,27:28:23:26.31.25|
BDBM50228993 CCc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1OC
BDBM50228994 OC(=O)C1Cc2c(CN1C(=O)\C=C\c1ccccc1)ncn2Cc1ccccc1
BDBM50228996 Cc1ccc(cc1)S(=O)(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O
BDBM50228997 COC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(C)c1)[N+]([O-])=O
BDBM50229001 OC(=O)C1Cc2c(CN1C(=O)C(C1CCCC1)c1ccccc1)ncn2Cc1ccccc1
BDBM50229002 CN(Cc1ccccc1)C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O
BDBM50229004 Cc1cc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)ccc1O
BDBM50229006 OC(=O)C1Cc2c(CN1C(=O)CC(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
BDBM50229007 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)\C=C/c2ccccc2)cc1C
BDBM50228963 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1cccc(c1)C(F)(F)F
BDBM50228964 Nc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM50228965 Nc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccc(N)cc1
BDBM50228966 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccccc2)c2ccccc2)cc1OC
BDBM50228198 CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NC1(Cc2ccccc2C1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,6.5,(2.9,-15.88,;2.9,-14.34,;4.23,-13.57,;5.56,-14.34,;5.56,-15.88,;6.91,-13.57,;8.24,-14.34,;8.24,-15.88,;9.57,-16.66,;9.57,-18.2,;10.92,-18.97,;10.92,-20.51,;12.25,-21.28,;9.57,-21.28,;9.57,-13.57,;9.57,-12.03,;10.92,-14.34,;12.25,-13.57,;12.25,-12.03,;13.58,-11.24,;10.92,-11.24,;13.58,-14.34,;13.58,-15.88,;14.93,-13.57,;16.26,-14.34,;16.26,-15.88,;17.59,-16.66,;17.59,-18.2,;18.94,-18.97,;20.27,-18.2,;21.6,-18.97,;20.27,-16.66,;18.94,-15.88,;17.59,-13.57,;17.59,-12.03,;18.94,-14.34,;20.27,-13.57,;20.27,-12.03,;21.6,-11.24,;18.94,-11.24,;21.6,-14.34,;21.6,-15.88,;22.95,-13.57,;24.28,-14.34,;24.28,-15.88,;24.84,-17.37,;25,-18.9,;26.51,-19.22,;27.3,-17.88,;26.25,-16.72,;25.61,-13.57,;25.61,-12.03,;26.96,-14.34,;27.12,-15.88,;28.63,-16.2,;29.4,-14.86,;28.37,-13.71,;28.69,-12.2,;30.16,-11.72,;27.54,-11.17,;27.88,-9.67,;28.79,-8.42,;30.25,-8.9,;31.58,-8.13,;32.89,-8.9,;32.89,-10.44,;31.57,-11.21,;30.23,-10.44,;28.78,-10.92,;26.72,-8.63,;27.04,-7.12,;25.26,-9.11,)|
BDBM50228967 Cc1ccc(cc1)C(C(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O)c1ccc(C)cc1
BDBM50228995 OCC1Cc2c(CN1C(=O)Cc1ccccc1)ncn2Cc1ccccc1
BDBM50229000 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)CC2CCCCC2)cc1C
BDBM50229003 OC(=O)C1Cc2c(CN1C(=O)C(c1ccc(F)cc1)c1ccc(F)cc1)ncn2Cc1ccccc1
BDBM50230425 CCCCc1nc2ccccn2c1Cc1ccc(cc1)-c1ccccc1C(O)=O
BDBM50228902 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2)[N+]([O-])=O)cc1C
BDBM50228903 OCC1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1
BDBM50228904 OC(=O)C1Cc2c(CN1C(=O)C(=O)c1ccccc1)ncn2Cc1ccccc1
BDBM50228916 COc1ccc(Cn2cnc3CN(C(CO)Cc23)C(=O)N(C)c2ccccc2)cc1C
BDBM50228927 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)cc1C
BDBM50228931 OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2C(c1ccccc1)c1ccccc1
BDBM50228944 O=C(C(c1ccccc1)c1ccccc1)N1CCc2c(C1)ncn2Cc1ccccc1
BDBM50228952 COc1ccc(Cn2cnc3CN([C@@H](Cc23)C(O)=O)C(=O)C2(CCCC2)c2ccccc2)cc1C
BDBM50228955 OC(=O)C1Cc2c(CN1C(=O)Cc1ccccc1)ncn2Cc1ccccc1
BDBM50228956 CC(C)NC(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(O)=O
BDBM50228957 OCC1Cc2c(CN1C(=O)C(C1CCCC1)c1ccccc1)ncn2Cc1ccccc1