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348 SMILES Strings for NCOA2 protein

Compound NameSMILES String
BDBM22891 [#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
BDBM33154 Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
BDBM32740 COc1ccc(OCC(=O)Nc2cc(ccc2OC)-c2nn(C)c(=O)c3ccccc23)cc1
BDBM33066 CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
BDBM34269 c1coc(c1)-c1nc2c3cnn(-c4ccccc4)c3ncn2n1
BDBM34320 CCCCC(CC)Cn1c2nc(C)oc(=N)c2c2nc3ccccc3nc12
BDBM34209 Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C
BDBM34262 Cc1cc(C=Nn2cnnc2)c(C)n1-c1sc(C)c(C)c1C#N |w:5.5,(4.54,-1.31,;6.01,-.84,;6.49,.63,;8.03,.63,;8.93,1.87,;8.3,3.28,;9.21,4.53,;10.75,4.53,;11.23,5.99,;9.98,6.9,;8.73,5.99,;8.5,-.84,;9.97,-1.31,;7.26,-1.74,;7.26,-3.28,;8.5,-4.19,;8.03,-5.65,;8.93,-6.9,;6.49,-5.65,;5.58,-6.9,;6.01,-4.19,;4.54,-3.71,;3.08,-3.23,)|
BDBM34265 Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
BDBM33694 COc1cc(OC)cc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
BDBM34679 COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1
BDBM34467 O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)-c1nc2ccccc2o1
BDBM34408 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
BDBM34415 CC(C)(C)c1ccc(cc1)-c1nnc2sc(nn12)-c1ccncc1
BDBM34419 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1
BDBM34648 Cc1cc(C)nc(c1)N=c1ssnc1Cl |w:8.8|
BDBM37968 Cc1nnc(SCc2ccccc2)n1N
BDBM37730 COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
BDBM40558 COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc(C)c1C#N
BDBM40562 COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1
BDBM37375 CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21
BDBM40970 CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1
BDBM41052 COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O
BDBM40985 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
BDBM41071 Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
BDBM40305 CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
BDBM40284 CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
BDBM39573 Brc1cncc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1
BDBM39443 Cc1ccc(cc1C)C(=O)Nc1nnc(s1)-c1cccs1
BDBM42914 CCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
BDBM42915 CCOC(=O)c1ccc(NC(=O)CCc2nc(no2)-c2ccc(C)cc2)cc1
BDBM42916 C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)CN1CCOCC1
BDBM42955 CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12
BDBM42956 COc1ccccc1C(=O)Nc1cccc(c1)-c1cn2ccsc2n1
BDBM42957 COc1ccc(cc1OC)-c1noc(n1)-c1ccc(Br)o1
BDBM42992 Cc1ccc(cc1)-n1nccc1-c1cc(Cl)sc1Cl
BDBM42993 CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3CCc4cccc2c34)cc1
BDBM42994 CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N
BDBM43029 COC(=O)c1cnn(c1C)-c1nc2c(C)cccc2s1
BDBM43030 Cc1ccc(cc1)N=Nc1c(N)n([nH]c1=O)-c1ccccc1 |w:8.9|
BDBM43031 COc1ccc(NC(=O)CSc2ccc3-c4ccccc4C(=O)c4cccc2c34)cc1
BDBM43065 Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1
BDBM43168 Oc1ccc(cc1)C1C(=O)c2ccccc2C1=O
BDBM43169 CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC(C)C)cc2)n(C)c1C
BDBM43170 CN(C)CCCN(C(=O)c1ccc(cc1)-n1c(O)ccc1O)c1nc2c(F)cccc2s1
BDBM43171 COc1ccc(cc1OC)C(=O)\N=c1/sc2ccccc2n1C
BDBM42917 O=c1cc(Cn2ccnc2)c2cc3CCCc3cc2o1
BDBM42918 CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C
BDBM42919 Cc1cc(C)c(cc1C)C(=O)CSc1nnc(o1)-c1ccccc1Br
BDBM42920 Nc1nc(cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
BDBM42958 COc1ccccc1C(=O)Nc1ccccn1
BDBM42959 COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1
BDBM42960 CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1
BDBM42962 CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1
BDBM42963 CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)n[nH]c1C
BDBM42964 CCN1CCCC1CNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
BDBM42965 COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC
BDBM42966 COc1ccc(OC)c2n(C)\c(=N\C(=O)C(C)(C)C)sc12
BDBM42967 CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
BDBM42968 O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2OCOc2c1
BDBM42995 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
BDBM42996 Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12
BDBM42997 C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1
BDBM42998 COc1ccc(cc1)C(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O
BDBM42999 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(N)=O
BDBM43032 Cc1c(Cl)cccc1NC(=O)C1S\C(=N/c2ccccc2)C(=C1N)c1nc2ccccc2s1 |c:23|
BDBM43033 CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12
BDBM43034 CN(C)c1ccc(cc1)\N=C\C=C1/N(C)c2ccccc2C1(C)C
BDBM43035 O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
BDBM43036 CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
BDBM43172 Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
BDBM43173 Clc1ccc(cc1)C(=O)NN=Cc1cnc(s1)N1CCCCC1 |w:10.10|
BDBM42884 O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
BDBM42885 CCc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1cc(C)on1
BDBM42886 CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C
BDBM42887 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)=O
BDBM42888 CCN(CC)CCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)NC1CCCCC1
BDBM42889 O=C(Nc1cccc(NS(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)c1)c1ccccn1
BDBM42921 Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)n1
BDBM42922 CCOC(=O)c1s\c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C
BDBM42923 COc1cc(cc(OC)c1OC)C(=O)CSc1nc2ccccc2o1
BDBM42924 C=CCn1c2nnc(SCC(=O)c3ccccc3)n2c2ccccc2c1=O
BDBM42925 Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
BDBM42961 O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12
BDBM43000 CSCCNC(C)=O
BDBM43037 FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
BDBM43038 Cc1cc(Cl)ccc1Oc1ncnc2oc(cc12)-c1ccccc1
BDBM43039 Fc1ccc(Oc2nc(ccc2C#N)-c2ccc(Cl)cc2)cc1
BDBM43040 Cc1c(sc(NC(=O)COc2ccccc2C)c1C#N)C(=O)Nc1cccc(C)c1C
BDBM43041 O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1
BDBM43042 O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
BDBM43043 COc1cc(cc(OC)c1OC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(=S)N1CCOCC1
BDBM43044 CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
BDBM43068 Cc1ccc(C=C2SC(N)=NC2=O)s1 |w:5.4,c:9|
BDBM43069 Cc1ccc(cc1)-c1cc(-c2ccccc2)c(C#N)c(Br)n1
BDBM43070 O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1
BDBM43071 Clc1ccc(cc1)-n1c(=O)[nH]c2nc(SCc3ccccc3)ncc2c1=O
BDBM43072 Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
BDBM43073 COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1
BDBM43074 Brc1ccc(\C=N\c2ccc(Nc3ccccc3)cc2)s1
BDBM43075 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O |w:11.11|
BDBM43076 Cc1cc(C)c2C3C=CCC3C(Nc2c1)c1cc2OCOc2cc1Br |c:7|
BDBM43077 Cc1c(NC(=S)Nc2c(C)cccc2C)c(=O)n(-c2ccccc2)n1C
BDBM43078 CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12
BDBM43079 COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)-c2ccc(C)cc2)cc1
BDBM43080 COc1ccc(cc1OC)C(=O)NCC(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
BDBM43081 COc1cc2CC(C)(C)N=C(Nc3ccc(cc3)S(N)(=O)=O)c2cc1OC |t:9|
BDBM43134 COc1ccc(cc1)S(=O)(=O)Nc1c(F)cccc1F
BDBM43135 CN1CCS\C1=C/C=C1\SC(=S)N(CC(O)=O)C1=O
BDBM43174 CCOC(=O)CS(=O)(=O)c1ccc(O)cc1
BDBM43175 Oc1cc(C#N)c(cc1-n1nnc2ccccc12)C#N
BDBM43176 Fc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM42970 Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCCN1CCOCC1
BDBM42971 O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccc1
BDBM42972 CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F |(3.08,-.77,;4.41,,;3.64,1.33,;5.18,-1.33,;5.75,.77,;7.08,,;7.08,-1.54,;8.41,.77,;9.75,,;11.08,.77,;11.08,2.31,;12.42,3.08,;12.42,4.62,;13.75,2.31,;13.75,.77,;15.08,,;12.42,,;12.42,-1.54,;13.75,-2.31,;13.75,-3.85,;12.42,-4.62,;11.08,-3.85,;11.08,-2.31,;9.75,-1.54,)|
BDBM42973 COc1ccc(cc1)-c1noc(Cc2ccccc2OC)n1
BDBM43001 [O-][N+](=O)c1ccc(NC(=O)C(\NC(=O)C2CCCCC2)=C\c2cccc(c2)[N+]([O-])=O)cc1
BDBM43002 COc1cc(ccc1OCc1ccccc1)C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N |c:36|
BDBM43137 Brc1ccc(o1)C(=O)NC(=S)Nc1ccccc1
BDBM43138 Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+]([O-])=O
BDBM43177 Oc1c(Br)cc(Br)cc1C=NCc1ccc(F)cc1 |w:10.11|
BDBM43178 COc1ccc(Br)cc1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O
BDBM42891 COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
BDBM42892 COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1OC
BDBM42893 COc1ccc(cc1)C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM42894 CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
BDBM42895 Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)Cc3ccc4OCOc4c3)c(=O)[nH]c12
BDBM43003 Cc1nn(c2CCc3cnc(nc3-c12)N1CCOCC1)-c1ccccn1
BDBM43004 COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(O)cc1
BDBM43005 CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2OCOc2c1
BDBM43006 CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(F)cc3)c2c1C
BDBM43007 COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
BDBM43008 CCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc12
BDBM43009 CCN(CC)CCCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1
BDBM43010 COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
BDBM43011 COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
BDBM43012 COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 |w:11.13|
BDBM43013 COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2)n1
BDBM43014 COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1
BDBM43015 CCOc1nc(ccc1-c1noc(n1)-c1cccs1)-c1ccccc1
BDBM43016 Cc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1
BDBM43017 Cc1cc(C)c(C#N)c(SCc2cc3OCOc3cc2Cl)n1
BDBM43018 CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc12
BDBM43107 CC(C)NC(=O)NC(=O)CSc1ccccc1F
BDBM43108 CN1C(=O)\C(=N/NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc12
BDBM43109 Cc1ccc(cc1)-n1c(O)c2CCC(Cc2c1O)c1ccccc1
BDBM43139 Cc1nnc(=O)[nH]c1N=NCc1cccs1 |w:8.8|
BDBM43140 COc1ccc(cc1OC)-n1c(=O)c(\C=[NH+]\NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc[c-]2c1=O
BDBM43179 NNc1nc2c(nnn2c2ccccc12)-c1ccc(F)cc1
BDBM43180 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
BDBM43181 Clc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
BDBM42926 CCOCCCNCc1ccc(OC)c(OC)c1
BDBM42927 CCOC(=O)c1s\c(=N\C(=O)c2cccc(OC)c2)n(C)c1C
BDBM42975 CCOC(=O)c1sc2nccc(N(C)C)c2c1\N=C\N(C)C
BDBM42976 Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O
BDBM42977 COC(=O)c1ccc(s1)S(=O)(=O)c1ccc(s1)C(=O)OC
BDBM43020 Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
BDBM43046 COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1
BDBM43047 N#Cc1c(SCc2nnc(o2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1
BDBM43048 COc1ccc(cc1OC)C1(CNC(=O)\C=C/c2ccco2)CCCC1
BDBM43049 NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1
BDBM43050 Oc1ccc(C=NNC(=O)c2csc3ccccc23)cc1 |w:6.6|
BDBM43051 COc1cccc(C=NNC(=O)c2csc(n2)-n2nc(C)cc2C(F)(F)F)c1 |w:8.8|
BDBM43052 CC(=NOCc1ccc(F)cc1Cl)c1ccc(CC#N)s1 |w:2.2|
BDBM43053 Cn1c2ccccc2nc(Oc2cc(Cl)cc(Cl)c2)c1=O
BDBM43110 CCn1cc(\C=C\C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1
BDBM43112 CC1=NN(C(=O)Cn2ccc(n2)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:1|
BDBM43113 Cc1cc(cs1)C(=O)NN=Cc1c[nH]nc1-c1ccccc1 |w:9.9|
BDBM43114 CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c(O)c1 |w:10.10|
BDBM43141 CC(N=Nc1nc2ccccc2s1)c1ccc(Br)s1 |w:3.3|
BDBM43142 CCCCOc1ccc(cc1)C(=O)N\C(=C\C=C\c1ccccc1)C(O)=O
BDBM43143 Cn1c2ncn(CCN=C3CCCCCN3)c2c(=O)n(C)c1=O |w:8.7|
BDBM43182 COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC
BDBM43183 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1 |c:11|
BDBM43185 CCOc1ccc(NC2=NN=C(CS2)c2cc(C)n(CC3CCCO3)c2C)cc1 |c:10,t:8|
BDBM43186 CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1Cl
BDBM43187 CCOc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:8.8|
BDBM42890 CCn1c(SCC(O)=O)nnc1C1CCCCC1
BDBM42928 Clc1ccc2[nH]c(=S)[nH]c2c1
BDBM42929 COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1
BDBM42930 Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
BDBM42969 CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1
BDBM43055 Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccc(Cl)cc1Cl
BDBM43056 Clc1ccc(-c2csc(n2)-c2ccc(cc2)C(=O)NCC=C)c(Cl)c1
BDBM43082 CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
BDBM43083 CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2CCCc12
BDBM43084 O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)N1CCCc2ccccc12
BDBM43085 COc1ccc(cc1)-c1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1
BDBM43086 Clc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
BDBM43087 Fc1ccc(CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2F)c(Cl)c1 |t:7|
BDBM43088 Clc1c(sc2ccccc12)C(=O)OCC(=O)NC1CCCCC1
BDBM43089 COc1ccc(Nc2nc(c(Cl)s2)S(=O)(=O)c2ccc(C)cc2)cc1
BDBM43090 CCOCCn1c2ccc(cc2s\c1=N/C(=O)c1cc(Cl)sc1Cl)S(N)(=O)=O
BDBM43091 CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
BDBM43092 COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1
BDBM43093 Cc1cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C
BDBM43094 Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
BDBM43111 Cc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;9.75,2.07,;10.99,1.17,;10.52,-.3,;8.98,-.3,)|
BDBM43144 COc1ccc(cc1)C(N)=NOC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 |w:10.11|
BDBM43145 COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1
BDBM43146 Oc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1
BDBM43147 Cc1ccc(-c2ccc(\C=C(/C#N)C(N)=S)o2)c(c1)[N+]([O-])=O
BDBM43148 CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
BDBM43149 Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)OCc2cccnc2)c(Cl)c1
BDBM43184 Brc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:11.11|
BDBM42931 COc1cccc2sc(nc12)N1CCN(CC1)c1nc2ccccc2s1
BDBM42932 CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC)c(OC)c2)n(C)c1C
BDBM43022 CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
BDBM43023 Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1
BDBM43045 COc1ccc2sc3c(c2c1)c1ccccc1[nH]c3=O
BDBM43115 Clc1ccc(CNC(=S)Nc2ccccc2)c(Cl)c1
BDBM43188 CN(CC(=O)Nc1ccc(C)cc1)C(=S)NC1CC1
BDBM42896 CCS(=O)(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1 |(9.68,.83,;11.01,1.6,;11.01,3.14,;9.47,3.14,;12.55,3.14,;11.01,4.68,;12.34,5.45,;12.34,6.99,;11.01,7.76,;9.68,6.99,;9.68,5.45,;11.01,9.3,;12.34,10.07,;12.34,11.61,;11.01,12.38,;9.68,11.61,;9.68,10.07,;11.01,13.92,;12.34,14.69,;12.34,16.23,;11.01,17,;9.68,16.23,;9.68,14.69,)|
BDBM42897 CC(C)n1c(SCC(=O)NCc2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM42898 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc(C)cc(C)c1C#N)C(C)=O
BDBM42899 CCOC(=O)C1C(N=C(SCC(O)=O)N=C1C)c1ccccc1 |c:14,t:7|
BDBM42900 O=S(=O)(c1nc(oc1N1CCOCC1)-c1ccco1)c1ccccc1
BDBM42901 CCCCCCN1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:13.13|
BDBM42933 CN(CP(O)(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O
BDBM42934 Fc1ccccc1Cn1nnc2c(SCC(=O)N3CCN(CC3)c3ccccc3)ncnc12
BDBM42935 COc1ccc(cc1)C(=O)C(C)(C)NO
BDBM42974 COc1ccc(NCCNc2ccc(OC)cc2)cc1
BDBM43025 CC(C)CCNC(=O)NC(=O)COC(=O)\C=C\c1cnc2ccccc2n1
BDBM43026 COc1ccccc1CN(C)C(=O)c1ccc2SCC(=O)Nc2c1
BDBM43057 FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)[nH]nc1-c1ccccc1
BDBM43058 FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12
BDBM43059 Fc1ccc(cc1)-c1cc(n2ncc(c2n1)S(=O)(=O)c1ccccc1)C(F)(F)F
BDBM43060 Cn1nc(c(C(=O)Nc2ccc(cc2)C(F)(F)F)c1Cl)-c1ccccc1
BDBM43061 CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC |w:10.10|
BDBM43062 Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
BDBM43063 CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
BDBM43064 CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
BDBM43096 CCOC(=O)COc1ccc(\C=C2/NC(=S)N(CC)C2=O)cc1
BDBM43097 Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
BDBM43098 Cn1ncc(c1C(=O)N\N=C\c1ccc(F)cc1)[N+]([O-])=O
BDBM43099 CC(C)CNC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1
BDBM43100 O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccccc1
BDBM43101 CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC
BDBM43103 Cc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
BDBM43104 CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1
BDBM43105 Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccc(C)c(C)c1
BDBM43106 CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
BDBM43116 CCc1cc2c(cc1OC(C)C(=O)NCCO)occ(-c1nc(C)cs1)c2=O
BDBM43117 OC(C#CCN1CCCC1)(c1ccccc1)c1cccc(F)c1
BDBM43118 CCOC(=O)n1cc(-c2cnc(CNC(=O)C(C)(c3ccccc3)c3ccccc3)o2)c2ccccc12
BDBM43119 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(cc1)C(F)(F)F |c:9|
BDBM43120 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1 |c:9|
BDBM43121 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1csc2ccccc12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 |c:5|
BDBM43151 CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1CCO
BDBM43152 CC(C)(O)C#Cc1ccc(CN2CCN(C(CCO)C2)C2CCCCC2)cc1
BDBM43153 Cc1ccccc1CC1(CO)CCCN(C1)C(=O)CCC(=O)c1ccccc1
BDBM43154 O=C(CCC1CCCN(C1)C(=O)C1=CCCCC1)N1CCN(CC1)c1ccccn1 |t:13|
BDBM43155 Cc1ccc(CN2CCN(Cc3cccc(OCCO)c3)CC2CCO)o1
BDBM43156 Cc1cccc(N(CC(=O)N2CCN(CC2)c2ccc(F)cc2)S(C)(=O)=O)c1C
BDBM43189 CCOc1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1 |t:16|
BDBM43190 C1Cc2ccccc2C1=NNc1nc2ccccc2[nH]1 |w:9.11|
BDBM43191 CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1
BDBM42936 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2nnc(s2)C(C)(C)C)C1=O |c:5,TLB:9:8:2:5.6,THB:25:7:2:5.6|
BDBM42937 CCOC(=O)C1CCCN(C1)S(=O)(=O)c1cc(Br)cc2CCN(C(=O)C3CC3)c12
BDBM42938 CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCC(C)CC1
BDBM42939 CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1
BDBM42940 Clc1cccc2sc(nc12)N1CCN(CC1)c1ccccc1
BDBM42978 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
BDBM43150 OC(=O)CCCC(=O)Nc1cc(ccc1O)[N+]([O-])=O
BDBM43192 CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1
BDBM43193 COc1ccc(NC(=O)COC(=O)c2cccc(c2)S(=O)(=O)N(C)C)cc1
BDBM43194 CCc1nc2ccc(cc2nc1CC)C(=O)Nc1nnc(C)s1
BDBM42941 FC(F)(F)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1
BDBM42979 COCc1c(nnn1-c1ccccc1)C(=O)OC
BDBM42980 COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
BDBM42981 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(N)=O
BDBM43195 O=C(COc1ccccc1-c1ccccc1)NCc1ccco1
BDBM43196 Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1
BDBM43197 COc1ccc2c(cc(SCC(=O)NC(N)=O)nc2c1)-c1ccccc1
BDBM42942 Fc1ccc(cc1)-n1nnc2c(SCC(=O)NCc3ccco3)ncnc12
BDBM42943 Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
BDBM42982 CC(C)OC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
BDBM42983 [H]C12CCC([H])(CC(O)(C1)c1ccc(F)cc1)N2C(=O)C(C)C |TLB:8:7:17:2.3,THB:10:7:17:2.3|
BDBM43019 O=C(CC1CCCC1)Nc1ccc2CCCc2c1
BDBM43054 Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1
BDBM42902 NC1=NON(O)C1C(=N)N=O |t:1|
BDBM42903 CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1
BDBM42904 Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
BDBM42944 FC(F)(F)c1cccc(c1)C(=O)Nc1cnccn1
BDBM42945 Brc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1
BDBM42946 Nc1nc2ccc(cc2s1)N1CCOCC1
BDBM42984 Cc1ccc(CSc2nc3CCCc3cc2C#N)cc1
BDBM42985 CCOC(=O)c1c(C)c(sc1NC(=O)Cc1cccs1)C(=O)NC1CCCC1
BDBM42986 CSC1=NC(C)(C)CC2(CC(Oc3cc(O)ccc23)c2ccccc2)N1 |t:2|
BDBM43021 COC(=O)c1sccc1NC(=O)c1ccc(Br)s1
BDBM43066 CCOC(=O)CC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
BDBM43067 Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1
BDBM43122 O=c1oc2ccccc2cc1-c1cn2ccccc2n1
BDBM43123 COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N3CCCc4ccccc34)c2n1
BDBM43124 Brc1ccc(cc1)-n1c(CNC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n[nH]c1=S
BDBM43125 CC(=O)N1CCN(CC1)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
BDBM43126 Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1
BDBM43127 CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1 |w:20.19|
BDBM43128 Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12
BDBM43129 CCn1cc(cn1)S(=O)(=O)Nc1ccccc1C(F)(F)F
BDBM43130 CCn1cc(CNCc2cn(C)nc2-c2ccc(cc2)C2CCCCC2)cn1
BDBM43131 COc1ccccc1C(=O)C1CCCN(C1)C(=O)CSc1ccccn1
BDBM43132 Cc1ccc(cc1)-c1csc(NC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)n1
BDBM43133 Cc1ccc(cc1)S(=O)(=O)NC(=O)COc1ccccc1
BDBM43157 C(NC1CCCC1)c1cccnc1
BDBM43158 CCc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccnc1)C(=O)c1csnn1
BDBM43198 O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1
BDBM42905 CCCCSc1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C
BDBM42906 Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1
BDBM42907 Cc1csc(n1)C(C#N)C(=O)c1ccncc1
BDBM42947 Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12
BDBM42948 CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1
BDBM42949 COc1ccccc1OCc1nc2ccccc2[nH]1
BDBM42950 CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1 |t:10,18|
BDBM42951 O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1
BDBM42987 CCc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1C#N
BDBM43136 COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1
BDBM43159 Cc1occc1C(=O)NN=Cc1ccc(Br)s1 |w:9.9|
BDBM43160 O=C(NCc1ccc2OCOc2c1)Nc1ccc2nsnc2c1
BDBM43161 CC(=O)NC1=NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1ccc(NC(C)=O)cc1 |t:4|
BDBM42876 CC1(C)Cc2c(CO1)c(nc(SCC(=O)c1ccccc1)c2C#N)N1CCOCC1
BDBM42908 Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1
BDBM42909 CCN(CC)C(=O)CSc1nc2ncccc2[nH]1
BDBM42910 Cc1cc(C)n(n1)-c1nc(SCC(=O)Nc2nccs2)c2c3CC(C)(C)OCc3sc2n1
BDBM42988 CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
BDBM42989 CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)c1cccs1)C(=O)OC)c1cccc(Cl)c1 |c:11,t:5,8|
BDBM43024 Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
BDBM43162 CC(C)(C)c1ccc(OCc2ccc(o2)C(=O)N2CCOCC2)cc1
BDBM43163 CCCCC(CC)c1nnc(NC(=O)c2cccs2)s1
BDBM43164 O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1 |w:15.16|
BDBM42911 C(c1cccs1)c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
BDBM42912 Fc1ccc(cc1)C(=O)CSc1nnc(Cc2cccs2)n1CC=C
BDBM42913 O=c1n(CCCN2CCOCC2)c(nc2ccccc12)-c1ccccc1
BDBM42952 COc1cnn(-c2ccccc2)c(=O)c1N(C)C
BDBM42953 CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c1=O
BDBM42954 Fc1c(F)c(F)c(C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(F)c1F
BDBM42990 N#Cc1cc2CCCc2nc1SCc1ccccc1
BDBM42991 Clc1ccccc1-c1nc(c(CC(=O)Nc2ccccc2)s1)-c1ccccc1
BDBM43027 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)C#N |w:4.3|
BDBM43028 Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1
BDBM43095 CN1C(=S)N(C)\C(=C/c2cc(C)n(C3CC3)c2C)C1=O
BDBM43165 NNC(=O)c1cnn(c1-n1cccc1)-c1ccccc1
BDBM43166 Clc1ccccc1CSCCC(=O)NCc1cccs1
BDBM43167 CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1
BDBM42744 Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)NCc1ccco1
BDBM42440 Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
BDBM50228094 CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
BDBM50303385 O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1cccs1