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398 SMILES Strings for 26S Proteasome regulatory subunit Rpn11 (Rpn11)

Compound NameSMILES String
BDBM50731 Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
BDBM4304 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O
BDBM4314 Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
BDBM29677 CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
BDBM32319 Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
BDBM37078 COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
BDBM41095 COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
BDBM41067 CCOc1ccc2nc(NC3=NC(CC(=O)N3)c3ccc(OC)cc3)nc(C)c2c1 |t:10|
BDBM40950 COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc12
BDBM40309 Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1
BDBM39775 CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
BDBM39742 COc1cc(C=c2[nH]c3=CCCCCn3c2=O)ccc1O |w:5.4,t:8|
BDBM41929 Clc1nc(Nc2ccccc2)sc1C=NNC(=O)COc1ccc(cc1)C#N |w:14.16|
BDBM45030 Cc1cc(C=C2SC(S)=NC2=O)c(C)n1C |w:4.3,c:8|
BDBM45037 Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
BDBM44996 O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1
BDBM45041 O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
BDBM45071 NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1 |w:7.8,t:1|
BDBM46141 O=C1CC(=O)N(Cc2ccco2)C(=O)N1
BDBM46207 OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
BDBM46225 CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
BDBM46226 CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
BDBM46229 NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
BDBM46319 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
BDBM46246 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
BDBM43998 Cc1ccc(cc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
BDBM48090 COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
BDBM48469 CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
BDBM48714 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC=C)cc1
BDBM48851 Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
BDBM48837 OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)cc2)o1
BDBM48876 OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
BDBM47086 Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
BDBM47299 CN(C)c1ccc(C=CC=C2C(=O)NC(=O)N(C2=O)c2ccccc2)cc1 |w:7.6,9.8|
BDBM47027 COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
BDBM46591 Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
BDBM51089 Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccc(Cl)cc1)\C#N |c:13|
BDBM51120 NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
BDBM50298 COc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:16.18|
BDBM50151 COc1cc2cc3c(N)c(sc3nc2cc1OC)C(=O)Nc1sc(C)c(C)c1C#N
BDBM50221 Cc1ccc(cc1Cl)-n1cccc1\C=C1\C(=N)N2C(SN=C2S(C)(=O)=O)=NC1=O |c:22,28|
BDBM50235 COc1ccc(\C=C2\N(C(=O)c3ccc(C)cc3)C(=S)NC2=O)cc1
BDBM50162 Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
BDBM50098 CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
BDBM50688 OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
BDBM50580 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
BDBM50449 Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
BDBM50491 CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(SCc3ccco3)o1)C2=N |w:14.15,c:10,t:5|
BDBM50674 OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
BDBM50495 CCc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
BDBM50496 Cc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:21,t:18|
BDBM50498 CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccccc3Cl)C(=N)N12 |t:4,7|
BDBM49575 [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1ccc[n-]1 |w:9.9|
BDBM53578 COc1cccc2s\c(=N/C(=O)c3cccs3)n(CC#C)c12
BDBM53804 [#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
BDBM52326 Cc1ccc(\C=C(/C#N)C(=O)Nc2c(C)cccc2C)s1
BDBM52558 Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1C(O)=O |(6.38,-1.44,;7.79,-.82,;8.11,.69,;9.64,.85,;10.41,2.18,;9.64,3.52,;10.41,4.85,;11.18,6.18,;8.1,3.52,;7.2,2.28,;5.75,2.75,;4.41,1.98,;3.08,2.75,;3.08,4.29,;4.41,5.06,;5.75,4.29,;7.2,4.76,;10.27,-.56,;11.78,-.88,;9.13,-1.59,;9.29,-3.12,;8.04,-4.03,;8.2,-5.56,;9.61,-6.18,;10.85,-5.28,;10.69,-3.75,;12.23,-3.85,;12.9,-5.24,;13.09,-2.58,)|
BDBM52872 [O-][N+](=O)c1ccc(cc1)-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1
BDBM52728 CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccnn2Cc2ccncc2)c2ccccc2c1=O |w:14.15|
BDBM52729 ClCC(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O
BDBM52917 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:11.11|
BDBM53024 COc1ccccc1N1C(=O)S\C(=C/c2ccc(C)s2)C1=O
BDBM52848 COc1cc(OC)c(\C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1OC
BDBM53155 Brc1ccc(cc1)C1c2c(Oc3[nH]c(=S)[nH]c(=O)c13)[nH]c(=S)[nH]c2=O
BDBM52857 [O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1=O
BDBM52103 CCOc1ccccc1-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O |w:14.15,(8.41,-4.24,;9.75,-5.01,;11.08,-4.24,;12.42,-5.01,;12.42,-6.55,;13.75,-7.32,;15.08,-6.55,;15.08,-5.01,;13.75,-4.24,;13.75,-2.7,;12.42,-1.93,;11.08,-2.7,;12.42,-.39,;11.08,.39,;11.08,1.93,;9.75,2.7,;9.75,4.24,;8.41,5.01,;7.08,4.24,;7.08,2.7,;8.41,1.93,;5.75,5.01,;4.41,4.24,;3.08,5.01,;5.75,6.55,;4.41,7.32,;13.75,.39,;13.75,1.93,;15.08,-.39,;15.08,-1.93,;16.42,-2.7,)|
BDBM51882 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
BDBM51883 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
BDBM51768 Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
BDBM51678 CCOc1ccccc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl |w:14.14|
BDBM52137 Cc1cc(C)c2c(n1)n(Cc1ccccc1)c(=O)[nH]c2=O
BDBM55726 Cc1cc(N2CCCC2)c(F)cc1\C=C/[N+]([O-])=O
BDBM54478 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1
BDBM54791 COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
BDBM54942 NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
BDBM54948 OC(=O)CCCCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
BDBM54979 COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12
BDBM55479 [O-][N+](=O)c1ccc(N=NCc2cccn2-c2ccccc2)nc1 |w:8.8|
BDBM55006 CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)cc2)cc1
BDBM55025 O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
BDBM54072 CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8|
BDBM54008 CCOC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)S(=O)(=O)CC)C=CC1=O |c:25,t:3|
BDBM53848 Cc1cc(=O)[nH]c(N=NCc2c(O)n(-c3ccccc3)c(=O)c3ccccc23)n1 |w:8.8|
BDBM53861 COc1ccccc1N1C(=N)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
BDBM53894 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
BDBM53902 CCn1c(C)cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)c1C
BDBM58037 COc1cc(c[c-](\C=[NH+]\NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1=O)[N+]([O-])=O
BDBM58139 Brc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)s1 |w:6.6|
BDBM58142 Clc1cccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)c1 |w:7.7|
BDBM57649 Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1)-c1ccccc1
BDBM60524 Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O |w:14.15|
BDBM58947 Cc1cc(C(=O)c2cccs2)c(N)s1
BDBM60885 COc1ccc(cc1)-n1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O |w:10.10|
BDBM60889 OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
BDBM60542 CCOc1cc(C=C2NC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O |w:6.5|
BDBM60279 Brc1ccccc1C(=O)Sc1cccc2cccnc12
BDBM60758 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM60950 CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
BDBM60955 OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
BDBM60234 CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|
BDBM60303 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
BDBM60483 COc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc(OC)c1O |c:8|
BDBM60227 Cc1cccc(CSc2cccc3cccnc23)c1
BDBM58677 O=C(NNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O)c1ccccc1 |w:4.3|
BDBM58945 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C[C@@H](C)CC)nn1
BDBM63232 Cc1ccc(NC2=NC(=O)C(S2)=Cc2cccs2)cc1C |w:12.13,t:6|
BDBM61629 OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)\C=C\c2ccco2)c1
BDBM61650 OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
BDBM61654 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC
BDBM61874 COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
BDBM61878 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
BDBM61769 COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
BDBM61162 Oc1ccc2oc(=O)c(cc2c1)-c1nn(cc1C=O)-c1ccccc1
BDBM61221 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)cc1Cl |w:6.6|
BDBM61254 CCc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
BDBM61542 COc1ccc(CN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
BDBM61185 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
BDBM61444 O=C(NCCSCc1ccccc1)c1ccc(cc1)C1SCC(=O)N1Cc1ccccc1
BDBM66127 COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
BDBM66142 COc1ccc(cc1)C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 |w:10.11|
BDBM66148 COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccncc1 |w:19.21|
BDBM64458 CCN1CCc2c(C1)sc(NC(=O)c1cc3ccccc3cc1OC)c2C(N)=O
BDBM64360 COc1ccc(CNC(=O)c2nnn(CC(=O)Nc3cc(C)cc(C)c3)c2N)cc1
BDBM65555 Oc1c(Cl)cc(Br)cc1C=NNC(=O)c1ccc2OCOc2c1 |w:10.11|
BDBM65630 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|
BDBM64828 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
BDBM65446 COc1ccc(O)c(C=NNC(=O)c2c(C)nnn2-c2nonc2N)c1 |w:9.9|
BDBM67882 [#6]-[#6]-[#6]-[#6]-[#7]=c1scc(-c2ccc3-[#8]-[#6]-[#6](=O)-[#7]-c3c2)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |w:4.3|
BDBM67651 Nc1nc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1cc(O)ccc1[N+]([O-])=O
BDBM67655 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
BDBM67748 Cc1cccc(OCc2nnc(SCc3nc4cc(ccc4c(=O)[nH]3)C(F)(F)F)o2)c1
BDBM66898 Clc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c(Cl)c1 |w:6.6|
BDBM71403 COC1=CC(=Cc2c(C)[nH]n(-c3cccc(Br)c3)c2=O)C=C(OC)C1=O |t:2,22,(9.75,-6.5,;9.75,-4.96,;8.41,-4.19,;8.41,-2.65,;7.08,-1.88,;7.08,-.34,;8.41,.43,;9.82,-.2,;10.14,-1.7,;10.85,.95,;10.08,2.28,;10.71,3.69,;9.8,4.93,;10.43,6.34,;11.96,6.5,;12.87,5.26,;14.4,5.42,;12.24,3.85,;8.58,1.96,;7.43,2.99,;5.75,-2.65,;5.75,-4.19,;4.41,-4.96,;3.08,-4.19,;7.08,-4.96,;7.08,-6.5,)|
BDBM71422 CN1CCN(CC1)C(c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O
BDBM71474 OC(=O)CN1C(=S)S\C(=C\c2ccc(OC(=O)c3ccco3)cc2)C1=O
BDBM70227 Cc1cc(C)cc(c1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
BDBM70234 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O |w:11.11|
BDBM76334 Cc1ccc(cc1)-c1nnn2c1nc(NCCc1ccc(cc1)S(N)(=O)=O)c1ccccc21
BDBM76154 Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1 |w:4.3,c:8|
BDBM75966 O=C(Nc1nc(cs1)-c1nc2ccccc2s1)c1ccco1
BDBM76165 CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1 |w:11.11|
BDBM75978 Cc1c(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)cccc1-c1nc2ncccc2o1
BDBM76125 CCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:24,t:4,6|
BDBM74919 CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
BDBM75627 Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
BDBM75822 COc1ccc(cc1)N=Cc1oc2ccc3ccccc3c2c1O |w:8.8|
BDBM78863 CC(=O)n1cc([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc2ccccc2)c2ccccc12 |c:21|
BDBM78566 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cn(Cc2ccccc2)c2ccccc12
BDBM78104 [O-][N+](=O)c1ccc(Sc2cccc3cccnc23)c(c1)[N+]([O-])=O
BDBM77761 COc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:16|
BDBM80991 Oc1cc2ccccc2cc1C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
BDBM80996 CCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO
BDBM80997 CCCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO
BDBM81261 COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
BDBM80784 COc1ccc(cc1)-c1nc([nH]c1SCC(=O)Nc1nccs1)-c1ccc(SC)cc1
BDBM79979 COc1ccccc1C(=O)NC(N)=Nc1nc2ccccc2o1 |w:13.14|
BDBM79219 CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM79278 COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1
BDBM83759 Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1
BDBM83454 COc1ccc(CN2CN=C(Nc3nc(C)cc(C)n3)N(Cc3ccc(OC)cc3)C2)cc1 |t:9|
BDBM83506 CCCN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
BDBM83317 Cc1cc(N2CCN(CC2)c2ccc([N+]([O-])=O)c3cccnc23)c2ccccc2n1
BDBM83082 Cc1ccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)nc1
BDBM83086 Cc1cccc(NC(=O)CNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1C
BDBM83091 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM83102 CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cccc(c1)-n1cccc1
BDBM83107 CSc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1
BDBM82899 CC(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccc(COc2ccccc2Cl)o1 |w:12.13|
BDBM82821 Clc1ccccc1\C=C\C(=O)Nc1ccc2C(=O)NC(=O)c2c1
BDBM82822 Cc1ccc(cc1)-n1nnc2c1ncn(CC(=O)NCc1ccccc1)c2=O
BDBM83218 [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
BDBM82848 Clc1cccc(c1)C(=O)NNc1ncnc2ccccc12
BDBM82656 Clc1c(cnn(-c2ccccc2)c1=O)N=NCc1ccc(Br)cc1 |w:14.15|
BDBM82734 Oc1cc(NC(=O)C2=COCCO2)ccc1-c1nc2ccccc2s1 |t:7|
BDBM82737 NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3sc4ccccc4c3Cl)sc2c1
BDBM82708 OC(=O)c1ccc(COc2ccccc2C=C2NC(=O)N(C2=O)c2cccc(Cl)c2)cc1 |w:15.15|
BDBM88498 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1
BDBM88966 Cc1occc1C(=O)C(=Cc1ccc(O)c(Br)c1)C#N |w:9.10|
BDBM88968 Cc1ccc(cc1)C(=O)CSc1cc(C)nc(=O)[nH]1
BDBM88930 Cc1[nH]c2ccccc2c1\C=C\C(=O)c1ccncc1
BDBM88675 ClCCN(CCCl)c1ccc(C=NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
BDBM88826 CCSC1=N\C(=C/c2ccc3OCOc3c2)C(=O)S1 |t:3|
BDBM88827 CCc1ccc(O)c(c1)N=Cc1cccc(C)c1O |w:9.9|
BDBM88838 Clc1ccc2sc(SCC(=O)c3cc4ccccc4o3)nc2c1
BDBM88839 Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccccc1 |c:14|
BDBM88840 Clc1ccc(cc1C(=O)Nc1ccc2CCCc2c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
BDBM88841 CCOC(=O)C1C(=O)C(SC1=Nc1ccc(OC)cc1)=Cc1ccc(o1)-c1ccccc1C(O)=O |w:11.12,20.22|
BDBM88842 Cc1ccc(CSCC(=O)N\N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1
BDBM88844 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1
BDBM88845 CC(C)(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12
BDBM88847 CCCCn1c(=O)[c-](\C=[NH+]\c2cccc(c2)[N+]([O-])=O)c(=O)n(CC=C)c1=O
BDBM88848 CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)n1
BDBM88849 Brc1cc(\C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1
BDBM88850 Cc1cc2ncn(\N=C\c3ccc(o3)[N+]([O-])=O)c2cc1C
BDBM88851 O=[#6](-[#7]\[#7]=[#6]-1/c2ccccc2-c2ccccc-12)-c1ccccn1
BDBM88852 NC(Nc1cccc2ccccc12)=Nc1nc2CCCc2c(=O)[nH]1 |w:13.15|
BDBM88853 CCc1ccc(s1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
BDBM88903 Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=S)NC1=O |w:13.14|
BDBM88931 CCN(CCO)c1ccc(cc1)N=Nc1cc(C)[nH]n1 |w:12.12|
BDBM88935 Cc1cc2nc(CS)[nH]c2cc1C
BDBM88854 COc1cc(\C=C2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc(OC)c1OC
BDBM88856 S=C(N1CCCC1)c1cn(CCOc2cccc3ccccc23)c2ccccc12
BDBM88857 CCCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
BDBM88858 O=C(Nc1cccc(NC(=O)\C=C\c2cccs2)n1)\C=C\c1cccs1
BDBM88859 NS(=O)(=O)c1ccc(cc1)N=CCC(=O)c1ccc2ccccc2c1 |w:10.10|
BDBM88860 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N/NC(=O)C2COc3ccccc3O2)o1
BDBM88861 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1
BDBM88862 Cc1c(sc(N)c1C#N)C(=O)NN=Cc1ccc(O)c(Br)c1 |w:12.12|
BDBM88863 Cc1cc(C)c2cc3c(N)c(sc3nc2c1)C(=O)Nc1c(C)[nH]c(=O)[nH]c1=O
BDBM88864 Nc1nc(SCc2ccc(Cl)cc2Cl)nc2nc3CCCCc3cc12
BDBM88865 Oc1ccc(Cl)cc1C=NNC(=O)c1ccc(Br)cc1 |w:9.10|
BDBM88936 CCc1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccc(C)cc1
BDBM88937 [#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-[#6]=[#6]-1 |c:2,8,12,15|
BDBM88938 Cc1nnc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1
BDBM88939 COC(=O)c1sc2nc(CSc3ccc(Br)cc3)[nH]c(=O)c2c1C
BDBM88941 Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1 |w:7.8|
BDBM88944 Oc1ccc(\C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
BDBM88946 COc1cc(c[c-](\C=[NH+]\NC(=O)c2cncc(Br)c2)c1=O)[N+]([O-])=O
BDBM88947 COc1ccc(OC)c(c1)-n1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=S |w:15.16,(16.78,-7.4,;16.78,-5.86,;15.45,-5.09,;14.11,-5.86,;12.78,-5.09,;12.78,-3.55,;11.45,-2.78,;10.11,-3.55,;14.11,-2.78,;15.45,-3.55,;14.11,-1.24,;12.78,-.47,;11.45,-1.24,;12.78,1.07,;11.45,1.84,;11.45,3.38,;10.11,4.15,;9.95,5.68,;11.1,6.71,;8.44,6,;7.82,7.4,;7.67,4.66,;6.14,4.5,;5.24,5.75,;3.71,5.59,;3.08,4.18,;3.99,2.93,;5.52,3.1,;8.71,3.52,;8.39,2.01,;14.11,1.84,;14.11,3.38,;15.45,1.07,;15.45,-.47,;16.78,-1.24,)|
BDBM88948 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
BDBM88866 COc1ccc(cc1)C(=O)N1C(=S)NC(=O)\C1=C/c1ccc(C)cc1
BDBM88867 Cc1ccc(C)c(OCCn2cc(\C=C(\C#N)C(=O)NCC3CCCO3)c3ccccc23)c1
BDBM88868 Clc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)N\N=C\c1ccncc1
BDBM88869 COc1cccc(\C=N\NC(=O)c2[nH]c(C)c(C(=O)N\N=C\c3cccc(OC)c3)c2C)c1
BDBM88871 Cc1ccc(cc1)-n1c(O)c(C=NN2CCCCC2c2cccnc2)c(=O)[nH]c1=S |w:12.13|
BDBM88872 Oc1c(C=NN2CCCCC2c2cccnc2)c(=O)[nH]c(=O)n1-c1cccc2ccccc12 |w:4.4,(8.41,.36,;9.75,-.41,;9.75,-1.95,;8.41,-2.72,;7.08,-1.95,;5.75,-2.72,;5.75,-4.26,;4.41,-5.03,;3.08,-4.26,;3.08,-2.72,;4.41,-1.95,;4.41,-.41,;5.75,.36,;5.75,1.9,;4.41,2.67,;3.08,1.9,;3.08,.36,;11.08,-2.72,;11.08,-4.26,;12.42,-1.95,;12.42,-.41,;13.75,.36,;11.08,.36,;11.08,1.9,;9.75,2.67,;9.75,4.21,;11.08,4.98,;12.42,4.21,;13.79,5.03,;15.19,4.24,;15.19,2.64,;13.79,1.85,;12.42,2.67,)|
BDBM88873 COc1cccc(NC2=Nc3cccc4cccc2c34)c1 |t:8|
BDBM88875 COc1cccc(c1)-c1nn(cc1\C=C(/C#N)C(=O)NCCCn1ccnc1)-c1ccccc1
BDBM88876 C=CCn1cc(\C=N\NC(=O)COc2cccc3cccnc23)c2ccccc12
BDBM88877 CC(C)Oc1ccc(\C=C(/NC(=O)\C=C\c2ccco2)C(=O)NCCc2nc3ccccc3[nH]2)cc1
BDBM88878 Cc1ccc(cc1)C1CC(=NN1S(=O)(=O)c1ccc(C)cc1)c1cccs1 |c:10|
BDBM88879 CC(C)NC(=S)NN=Cc1sc(nc1-c1cccs1)N1CCCCC1 |w:7.6|
BDBM88880 O=C(N\N=C\c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
BDBM88881 Clc1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:19,t:16|
BDBM88882 COc1cc(\C=C(/C#N)C(=O)Nc2cc(ccc2Cl)C(F)(F)F)ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F
BDBM88883 COc1cc(C=CC(=O)C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1O |w:6.6|
BDBM88904 CN1CCC\C1=C\C=C1/N(C)C(=S)N(C)C1=O
BDBM88905 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-[#6]-[#6]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccccc2)-[#6](=O)-[#6]1
BDBM88906 O=C(CCN1C(=S)S\C(=C\c2cccs2)C1=O)Nc1ccccn1
BDBM88907 COc1ccc2o\c(=N\NC(=O)c3cccs3)c(cc2c1)C(N)=O
BDBM89017 CCN(CC)c1ccc(N)cc1
BDBM89018 Fc1ccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCOCC2)cc1
BDBM88837 Cc1ccsc1\C=C\c1ccc2ccccc2n1
BDBM89019 CC1CCN(CC1)c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCCC1
BDBM89020 COCCNC(=O)c1c(NC(=O)c2nc(SC)ncc2Cl)sc2CCCCc12
BDBM89021 COc1ccc(O)c(C=NNC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1 |w:9.9|
BDBM89022 O=C(CSc1nc2ccccc2o1)Nc1nc2CCCCc2s1
BDBM89023 OC(=O)CCCCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
BDBM89024 COc1cc(CN2c3ccccc3C(=O)CS2(=O)=O)cc(OC)c1
BDBM89025 CCCCCCCCCCCC1N=C(N)N=C(CCCO)C1C(=O)OC |t:12,15|
BDBM89026 [#6]-c1ccccc1-[#7]\[#6](-[#7]-c1ccccc1-[#6])=[#7]/[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-1
BDBM88908 [O-][N+](=O)c1ccc(s1)N1CCCCC1
BDBM88909 COc1cccc2cc(C(=O)Nc3ccc(F)cc3)\c(=N\c3ccc(cc3)C(O)=O)oc12
BDBM88949 CCCc1c(C)nc2ccc(cc2c1S)C(O)=O
BDBM88950 CCOC(=O)NC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N
BDBM88910 NS(=O)(=O)c1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
BDBM88911 Cc1cc2nc(=O)c(C=c3c4cc(C)ccc4[nH]c3=C)c(N)n2o1 |w:8.7|
BDBM88951 Cc1cc(C)c2c(N)c(sc2n1)C(=O)N\N=C\c1cccs1
BDBM88952 COc1ccc(CCNc2ccc(cc2[N+]([O-])=O)C(CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1
BDBM88953 NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCC2)c(c1)[N+]([O-])=O
BDBM88954 Cc1cccc2sc(NC(=O)C3CCCN(C3)S(=O)(=O)c3cccc4nonc34)nc12
BDBM88955 [H][C@]12CCC[C@](C)(Oc3cc4C(=O)c5cc(O)cc(O)c5C(=O)c4c(O)c13)O2 |TLB:24:26:27:4.2.3|
BDBM88956 CCOc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O
BDBM88958 CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
BDBM88959 COc1cc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)cc2)cc(Br)c1O
BDBM88813 COc1cc(Cl)cc(C=NNC(=O)c2ccc3OCOc3c2)c1O |w:9.9|
BDBM88815 Nc1nc(cc(-c2ccco2)c1C#N)-c1ccc(F)cc1
BDBM88816 Cc1csc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)n1
BDBM88817 CCc1c(O)nc(SCC(=O)Nc2ccc(C)cc2)n(C2CCCCC2)c1=O
BDBM88818 CN(C)\C=N\c1c(C#N)c(c(-c2ccccc2)n1Cc1ccco1)-c1ccccc1
BDBM88819 Cn1c2ccccc2c2cc(sc12)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12
BDBM88820 COc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1
BDBM88821 CN1C(=CC(=O)COC(=O)Cn2nnc(n2)-c2ccccc2)C(C)(C)c2ccccc12 |w:3.3|
BDBM88822 CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC
BDBM88823 CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccs1
BDBM88824 COC(=O)c1c(NC(=O)c2cc(C)on2)scc1-c1cccnc1
BDBM88825 O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc12)NCc1ccco1
BDBM88912 CC(=CC(=C)c1sc(S)nc1O)c1sc(S)nc1O |w:2.2|
BDBM88913 [O-][N+](=O)c1ccc(=O)[c-](C=[NH+]N=C2NS(=O)(=O)c3ccccc23)c1 |w:11.10,9.8|
BDBM88914 CSc1nsc(CC=Nc2ccc(cc2)C(O)=O)c1C#N |w:8.8|
BDBM88961 O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)N1CCOCC1
BDBM88962 Nc1nc(cs1)C(=N/OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23|
BDBM88963 COC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2cc(OC)c(O)c(OC)c2)C1=O
BDBM88964 Cc1c(OCC(N)=O)ccc2c(cc(=O)oc12)-c1ccccc1
BDBM88965 CCOC(=O)C1CCCN(C1)C1=NC(=O)\C(S1)=C\c1ccc(O)c(OC)c1 |t:12|
BDBM89027 Oc1csc(=S)n1N=Cc1ccc(Cl)s1 |w:7.7|
BDBM88915 COc1cc(\C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1Cl
BDBM88916 [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2cc(-[#7]\[#7]=[#6]-3\[#6](=O)-[#6]-[#6]-[#6]-[#6]-3=O)ccc-12
BDBM88969 CCOc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)c1ncccn1
BDBM88970 Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccc(F)c(F)c2)c(F)c1
BDBM88971 COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)cc(Br)c1O |w:6.6|
BDBM88973 NC(=O)CC(NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCCC2)c(c1)[N+]([O-])=O
BDBM88974 CCOc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3)c2N)cc1OCC
BDBM88976 Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N\N=C\c1cccnc1
BDBM88977 CCc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3SC(C)C(=O)Nc3c2)cc1
BDBM88978 C\C(\C=C1/SC(=S)N(CCC(=O)Nc2cccc(c2)C(O)=O)C1=O)=C/c1ccccc1
BDBM88979 Cc1ccc(CNC(=O)c2nnn(CC(=O)Nc3cc(C)cc(C)c3)c2N)cc1
BDBM88980 Cc1cc(C)cc(NC(=O)Cn2nnc(C(=O)NCc3ccc4OCOc4c3)c2N)c1
BDBM88981 COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1cccc(C)c1
BDBM88982 COc1cc(\C=C2/C(=O)N=C3SN=C(N3C2=N)S(C)(=O)=O)ccc1OC(=O)c1ccco1 |c:12,t:9|
BDBM88984 COc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1OC
BDBM88985 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1F
BDBM88986 CCOC1=C\C(=C\c2c(N)n3nc(CC(=O)N4CCCCC4)sc3nc2=O)C=CC1=O |c:30,t:3|
BDBM88987 COc1ccc(\C=C2/Oc3cc(OCC(=O)N4CCC[C@H]4C(O)=O)ccc3C2=O)c(OC)c1
BDBM88989 COC(=O)c1c(NC(=O)c2ccc3OCOc3c2)scc1-c1cccnc1
BDBM88990 Fc1ccccc1\C=N\NC(=O)c1cc2c(ccc3ccccc23)o1
BDBM88991 CC(=O)Oc1ccc(\C=N/NC(=O)c2cc3c(ccc4ccccc34)o2)cc1
BDBM88992 CC(SCc1nc2sc3CCCCc3c2c(=O)[nH]1)C(=O)Nc1ccc(C)cn1
BDBM88993 CO\N=C(\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C([O-])=O)c1cnc(N)s1 |c:11|
BDBM88994 COc1cc2ccccc2cc1C(=O)Nc1sc2CN(CCc2c1C(N)=O)C(C)C
BDBM88995 COc1ccccc1NC(=O)CSc1ccc(nn1)-c1ccc(cc1)-n1cccn1
BDBM88996 CCC(C)Sc1ccc(cc1)[C@@H]1[C@@H]2[C@@H](C(=O)N(CC)C2=O)[C@@]2(CCCCN12)C(=O)OC
BDBM88997 CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM88998 CCc1ccc(OCC(=O)NNC(=O)c2cc(ccc2N2CCCC2)S(=O)(=O)N(C)C)cc1
BDBM88999 CCc1ccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
BDBM89000 Clc1ccc(N2CCCC2)c(NC(=O)CC2OC(=O)c3ccccc23)c1
BDBM89001 CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C
BDBM89002 CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM89003 COc1ccc2oc(C(=O)Nc3nc(cs3)-c3ccccn3)c(C)c2c1
BDBM89004 COc1ccccc1NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM89005 CCOC(=O)C1CCN(CC1)C(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM89006 CC(=O)c1cccc(NC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)c1
BDBM89008 CCc1ccccc1OCC(=O)Nc1ccc(cc1C)N1CCCC1
BDBM89009 CC(NC(=O)C1CCN(CC1)C(=O)c1cccs1)c1ccc(cc1)S(N)(=O)=O
BDBM89010 O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(cc1)-c1nc2ccccc2s1
BDBM89011 Oc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
BDBM89012 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)N1CCN(CC1)c1c(Cl)cncc1Cl
BDBM89013 Cn1cncc1C#Cc1ccc2cc(oc(=O)c2c1)C1(O)CCCCC1
BDBM89014 CCC(CO)Oc1cc(NC(=O)c2ccc(N)cc2)c2ncn(C(C)C)c2c1
BDBM89015 Cc1nc(SCc2nc3cc(Cl)c(F)cc3[nH]2)c2oc3ccccc3c2n1
BDBM89016 Cc1nc(SCc2nc3ccc(Br)cc3[nH]2)c2oc3ccccc3c2n1
BDBM89028 COc1ccc(cc1)C#Cc1ccc2c(O[C@@H](CN(C)C(=O)Nc3cccc(OC)c3)[C@H](C)CN([C@@H](C)CO)S2(=O)=O)c1
BDBM89029 CC(c1sc(S)nc1O)c1sc(S)nc1O
BDBM89030 CC(=O)C1C(=O)OC(=CC=Cc2ccccc2)C1=O |w:8.8,10.10|
BDBM89031 CC1Sc2ccc(cc2N(Cc2ccccc2C)C1=O)-c1ccco1
BDBM88917 CN1CCC\C1=C/C=C1/N(C)C(=S)N(C)C1=O
BDBM88918 C[C-](\N=[NH+]\c1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1
BDBM88919 [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2cc(-[#7]\[#7]=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)ccc-12
BDBM89032 COc1ccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc1Cl
BDBM89033 COC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)sc2CN(C)CCc12
BDBM89034 Cc1c([n+]2ccccc2n1C)P(=S)(c1ccccc1)c1ccccc1
BDBM89035 COc1cc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc(OC)c1OC
BDBM89036 COc1ccc(NC(=O)c2cccc3c(coc23)-c2cccnc2)cc1
BDBM89037 COc1ccccc1Cc1c(nc2ccc(Cl)cn12)-c1cccc(Br)c1
BDBM89038 COc1ccccc1Cc1c(nc2ccc(Br)cn12)-c1cccc(Cl)c1
BDBM89039 CN1OC[C@@H]2CN([C@@H](C[C@H]12)c1ccc(cc1)N1CCCCC1)C(=O)CCC=C
BDBM89040 CN1OC[C@@H]2CN([C@@H](C[C@H]12)c1ccc(cc1)N1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C
BDBM89041 COc1ccc(Cc2c(nc3ccc(Cl)cn23)-c2ccc(C)cc2)c(C)c1
BDBM89042 COc1ccc(Cc2c(nc3ccc(Cl)cn23)C(C)(C)C)c(C)c1
BDBM88884 Nc1ccc(\C=C\C(=O)c2ccco2)cc1
BDBM88885 COCCN=c1scc(-c2cc(OC)c(OC)c(OC)c2)n1N=Cc1c(C)[nH]c2ccccc12 |w:22.23,4.3|
BDBM88886 COc1ccc(OC)c(c1)-c1csc(=NC)n1N=Cc1c(C)[nH]c2ccccc12 |w:17.18,14.15|
BDBM88887 Fc1ccc(NC(=O)CNC(=O)COc2ccc(cc2)-c2ccc(cc2)C#N)c(F)c1F
BDBM88888 COc1cccc(\C=C(\CC(=O)Nc2ccc(cc2)N2CCOCC2)c2nc3ccccc3s2)c1
BDBM88889 Cc1sc2nc(CSCC(=O)Nc3ccccc3C#N)[nH]c(=O)c2c1C
BDBM88920 N(N=Cc1cccnc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
BDBM88921 CC1=NC(=O)NC(C1C(=O)c1ccccc1)c1ccc(cc1)N1CCOCC1 |t:1|
BDBM88960 COc1cc(C=C2SC(N)=NC2=O)cc(Cl)c1O |w:5.4,c:9|
BDBM88792 Clc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N\N=C\c1cccnc1
BDBM88828 [#6]-[#8]-c1ccc(-[#7]\[#7]=[#6]-2/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)c(-[#8]-[#6])c1
BDBM88829 CCCCn1c(\N=C\c2ccc(cc2)N(C)C)nc2ccccc12
BDBM88830 O=C1N(C(=O)c2cccc3cccc1c23)c1ccc2ncccc2c1
BDBM88831 Cc1ccc(CO\N=C/Cc2snc(Sc3ncc(cc3Cl)C(F)(F)F)c2C#N)cc1
BDBM88832 Cc1ccc(cc1)-n1c(nc2nc3ccccc3nc12)-c1ccco1
BDBM88833 Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NC(C(=O)Nc1cccc(F)c1)c1ccccc1
BDBM88834 COc1ccc(NC(=O)Cn2c(cn(-c3ccc(C)cc3)c2=O)-c2ccc(OC)cc2)cc1
BDBM88835 CN(C)CCCNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:7.6|
BDBM88836 COc1ccccc1NC(=O)CSc1nc(N)c(cc1C#N)C#N
BDBM88890 CCOc1ccc(cc1)C(=O)N\N=C\c1cc(Cl)ccc1[N+]([O-])=O
BDBM88891 C1C(N(N=C1C=Cc1ccco1)c1ccccc1)c1ccco1 |w:5.5,c:3|
BDBM88892 [O-][N+](=O)c1ccc(\[NH+]=N\[CH-]c2sc(nc2-c2ccccc2)N2CCOCC2)c(c1)S(=O)(=O)Nc1ccccc1Cl
BDBM88893 CCc1ccc(\C=C2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1
BDBM88894 OC(=O)c1c(C=O)c2ccccc2n1Cc1ccc(C=C)cc1
BDBM88895 Fc1ccc(NC(=O)CSc2nc3nc(cc(c3c(=O)[nH]2)C(F)(F)F)-c2cccs2)cc1F
BDBM88896 CCN(CC)c1ccc(\C=N\NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccccc2OC)cc1
BDBM88897 O=C(Nc1cccnc1)c1cccc(c1)-c1cc2ccccc2oc1=O
BDBM88898 CN(C)c1ccc(cc1)\N=N\c1c(C)n(C)n(-c2ccccc2)c1=O
BDBM88899 Cc1ccc(cc1C)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
BDBM88900 CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O
BDBM88901 Cc1cc(nc(SCCN2CCOCC2)c1C#N)C(F)(F)F
BDBM88902 CC[n+]1c(CC=Nc2ccccc2)oc2ccc(OC)cc12 |w:6.6|
BDBM88922 CN1C(=O)CSC1=CC(=O)c1ccccc1C |w:7.8|
BDBM88923 O=C(N\N=C\c1sc(nc1-c1ccccc1)N1CCOCC1)c1cccc(c1)S(=O)(=O)N1CCCC1
BDBM88924 COc1cccc(c1)-n1c(SCC(N)=O)nc2ccccc2c1=O
BDBM88925 Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)[nH]c(=O)c2c1C
BDBM88926 CC(=NNC(=O)c1ccc(OC2OCCOC2Oc2ccc(cc2)C(=O)NN=C(C)c2ccncc2)cc1)c1ccncc1 |w:27.28,2.2|
BDBM88927 CCOc1ccc2nc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)sc2c1
BDBM88928 Cc1cc(N=Nc2ccccc2C(O)=O)c(C)c(C)c1O |w:4.3|
BDBM88929 COc1ccc2[nH]c3c(nc(C)n(\N=C\c4ccc(OC)c(CN5CCCC5)c4)c3=O)c2c1
BDBM88932 CC(C)c1ccc(cc1)-n1c(O)c(C=NNC(=O)c2ccccc2O)c(=O)[nH]c1=S |w:14.15|
BDBM88933 Nc1nnc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1
BDBM88934 FC(F)(F)c1ccc2c(c1)nc(CSc1ncnc3sccc13)[nH]c2=O
BDBM50132130 COc1ccc2c3CCNC(C)c3[nH]c2c1
BDBM50247261 COc1cc(OC)cc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
BDBM50296454 Clc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)c(Cl)c1 |w:12.13,t:6|
BDBM47298 CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
BDBM224012 Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
BDBM224013 Sc1cccc2cccnc12