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467 SMILES Strings for Bfl-1

Compound NameSMILES String
BDBM19441 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
BDBM29615 COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
BDBM31691 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1
BDBM31997 COc1ccc2c(C)n[nH]c3cccc1c23
BDBM34337 CC(Nc1ccccc1N1CCOCC1)c1nc2sc(C)c(C)c2c(=O)[nH]1
BDBM30709 [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
BDBM30715 CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccc(C)cc1 |c:6|
BDBM31067 COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
BDBM33146 CCOC(=O)C(=Cc1cccc(O)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|
BDBM33052 COc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:14.15|
BDBM34167 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(Cl)c1Cl |c:4|
BDBM34168 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
BDBM34169 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](C2C1)c1cccc(Cl)c1 |c:4|
BDBM34186 COCCn1cnc2cc(C)c(C)cc12
BDBM34187 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccccc1O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM34173 Clc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncccn1
BDBM34174 COc1ccc(cc1)-c1nnc2sc(nn12)-c1c(OC)cccc1OC
BDBM34175 CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccc(Cl)cc1Cl
BDBM34176 COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
BDBM34177 C1C(c2ccco2)n2ncnc2N=C1c1ccc(cc1)-c1ccccc1 |c:14|
BDBM34178 COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
BDBM34188 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
BDBM34189 CC1CCN(Cc2ccc(NC(=O)C3CCN(CC3)c3nnc(s3)-n3cccc3)cc2)CC1
BDBM34190 OCCCc1nc2N=C(CC(c3cccs3)n2n1)c1ccccc1 |c:7|
BDBM34191 COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
BDBM34192 Brc1ccc(cc1)-c1nnc2ccc(nn12)N1CCN(CC1)c1ccccc1
BDBM34193 Cc1cc(C)c2c3n(C)c(=O)n(C)c(=O)c3c(-c3ccccc3)n2n1
BDBM34194 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
BDBM34180 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
BDBM34181 CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(OC)c1OC |c:6|
BDBM34195 Brc1cccc(NC(=O)c2cc3ccccc3o2)c1
BDBM34196 Nc1ccc(C2CCCc3nonc23)c2nonc12
BDBM32098 Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
BDBM34183 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM34184 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cn1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
BDBM34185 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1
BDBM34166 Nc1ccc(cc1N1CCCCC1)N1CCCCC1
BDBM34170 CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
BDBM34171 COC(=O)Cn1c2CCCCc2c2cc(C)ccc12
BDBM34172 CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1
BDBM34163 Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
BDBM34164 COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccc(F)cc1
BDBM34165 Cc1nn(C)c(C)c1NC(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1F
BDBM34179 NC(=O)N1c2ccccc2CC(=O)c2ccccc12
BDBM34182 O=c1[nH]c(Nc2ccccc2)cc2ccccc12
BDBM32001 OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
BDBM32047 Nc1ccc2ncccc2c1N
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM39127 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|
BDBM39128 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|
BDBM39129 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1Cl |c:1|
BDBM39130 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|
BDBM39131 ClC1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|
BDBM39132 ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:1|
BDBM39133 ClC1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:1|
BDBM39134 ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|
BDBM39135 Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(Cl)C2=O)c1Cl |t:11|
BDBM39136 ClC1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:1|
BDBM39137 ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|
BDBM39138 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:8|
BDBM39139 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:8|
BDBM39140 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:8|
BDBM39141 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
BDBM39142 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)ccc(C)c1Cl |c:8|
BDBM39143 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:8|
BDBM39144 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
BDBM39145 Fc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|
BDBM39146 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:13|
BDBM39147 C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
BDBM39148 C[C@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
BDBM39149 ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39150 CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
BDBM39151 ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39152 ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39153 ClC1=C(N2CCN(CC2)c2ncccn2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39154 ClC1=C(N2CCN(CC2)c2ccccc2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39155 C[C@@H]1CN([C@@H](C)CN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
BDBM39156 OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:10|
BDBM39157 COc1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
BDBM39158 CC1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
BDBM39159 COc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
BDBM39160 CCCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|
BDBM39161 ClC1=C(N2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39162 COc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
BDBM39163 CC1CN(CCN1c1ccccc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|
BDBM39164 CC1N(CCNC1=O)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
BDBM39165 ClC1=C(N2CCN(CCNCc3ccccn3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39166 CC1NC(C)C(C)N(C1C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|
BDBM39167 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1 |c:8|
BDBM39168 Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:12|
BDBM39169 Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCO)CC2)C1=O |t:12|
BDBM39170 COc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:13|
BDBM39171 [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
BDBM39172 CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|
BDBM39173 [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C1=O |t:14|
BDBM39174 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:13|
BDBM39175 [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
BDBM39176 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
BDBM39177 C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
BDBM39178 OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:10|
BDBM39179 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|
BDBM39180 CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:9|
BDBM39181 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:8|
BDBM39182 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:13|
BDBM39118 COc1cccc(c1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
BDBM39119 ClC1=C(N2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39120 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39121 Oc1c(Cl)c(N=Cc2ccccc2)c(O)n1-c1ccc(Cl)c(Cl)c1 |w:5.4|
BDBM39122 COCC=Nc1c(Cl)c(O)n(c1O)-c1ccc(Cl)c(Cl)c1 |w:4.4|
BDBM39123 ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
BDBM39124 CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:3|
BDBM39125 Fc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |w:7.7|
BDBM39126 Nc1cc(nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)-c1ccccc1
BDBM41228 c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
BDBM39183 [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(Cl)C1=O |t:14|
BDBM39184 FC(F)(F)c1ccc(cc1)N1C(=O)C(Cl)=C(Cl)C1=O |t:15|
BDBM39185 Cc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(C)cc1 |w:7.7|
BDBM39186 ClC1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:1|
BDBM39187 ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|
BDBM43864 Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34|
BDBM43211 COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
BDBM41991 CN(C)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:3|
BDBM41654 CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O
BDBM42602 COc1ccccc1NC(=O)CN1CCC(CC1)n1nnc2cc(F)ccc12
BDBM46318 COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC |w:6.6|
BDBM45687 CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
BDBM44064 CC(C)NC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:8,15|
BDBM48265 COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
BDBM47089 CCn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O
BDBM47113 CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccc(F)cc2)cc1=O
BDBM46584 C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
BDBM46560 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|
BDBM53484 CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1
BDBM52609 Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|
BDBM53218 Nc1ccc2nc([nH]c2c1)-c1cccc(n1)-c1nc2ccc(N)cc2[nH]1
BDBM51824 COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1
BDBM51861 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51866 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM51939 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM51881 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|
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|
BDBM51885 [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
BDBM51841 CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|
BDBM51890 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
BDBM51856 CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
BDBM51857 CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
BDBM51858 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51860 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
BDBM51902 COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
BDBM51903 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
BDBM51904 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
BDBM51912 CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
BDBM51914 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
BDBM51918 CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
BDBM55861 CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
BDBM55517 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|
BDBM55880 Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
BDBM55930 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1
BDBM54990 Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCCN4CCCCCC4)nn3c2C)cc1
BDBM54099 CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O |t:5|
BDBM58125 NC(N)=c1ccc(=C\C=C2/C=CC(=CC2=O)C(N)=N)cc1 |c:10,12,(5.33,15.58,;4,14.81,;2.67,15.58,;4,13.27,;5.33,12.5,;5.33,10.96,;4,10.19,;4,8.65,;2.67,7.88,;2.67,6.34,;4,5.57,;4,4.03,;2.67,3.26,;1.33,4.03,;1.33,5.57,;,6.34,;2.67,1.72,;4,.95,;1.33,.95,;2.67,10.96,;2.67,12.5,)|
BDBM58367 CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
BDBM56757 CC1CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23
BDBM57475 OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM60229 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
BDBM59083 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
BDBM59086 CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
BDBM58573 COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM58623 CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1
BDBM58638 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1
BDBM58678 COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1
BDBM63221 O=C1N=c2ccccc2=C1NNC(=S)NCC1CCCO1 |c:9,t:2|
BDBM66019 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1
BDBM66022 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](CCC(O)=O)n1cc(CCCCCN)nn1
BDBM65890 CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
BDBM65894 CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
BDBM66253 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM64465 COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM64345 Cc1nn(CC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c(=O)c2cc(nn12)-c1ccccc1
BDBM64749 Fc1cccc(c1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
BDBM65397 CCC(C)(C)c1ccc(OCCCC[n+]2ccc(C)cc2)c(c1)C(C)(C)CC
BDBM64762 Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)C2CC2)c1
BDBM64766 Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1
BDBM64773 NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,10.11,23.23|
BDBM65630 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|
BDBM65651 CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1
BDBM65465 Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
BDBM63558 CCCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C
BDBM67655 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
BDBM67396 CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|
BDBM67694 CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
BDBM67677 Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 |t:25|
BDBM67419 CN1CC2=Cc3ccccc3OC22Oc3ccccc3C=C2C1 |c:23,t:3|
BDBM66945 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
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
BDBM66855 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
BDBM66590 O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1
BDBM70906 [O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2cccnc2)cc1
BDBM71251 CN(C)C=Nc1nnc(Sc2cc(C)nc3ccccc23)s1
BDBM71472 CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
BDBM71479 CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM72267 Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
BDBM72283 Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F
BDBM76231 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
BDBM76233 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1
BDBM76234 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM76235 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM76237 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
BDBM76238 Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
BDBM76245 C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
BDBM76133 COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|
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
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
BDBM75699 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM74657 Cc1onc(c1C(=O)Nc1cccc2nsnc12)-c1ccccc1
BDBM78860 NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
BDBM78869 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM78871 O=C1N(Cc2cccnc2)C(=O)c2cccc3cccc1c23
BDBM78937 Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)C(N)CC(C)C)n1cc(nn1)C(N)COC(=O)C(F)(F)F
BDBM78805 Cc1nc(N)sc1C(=O)NN=Cc1cccnc1
BDBM78806 Cc1cccc(n1)-n1cnc(c1)C(=O)NNC(=S)Nc1ccccc1
BDBM78786 CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(c1)C(C)(C)CC
BDBM78808 Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
BDBM78692 CC(=O)c1ccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1
BDBM78749 Cc1ccc2cc3CCN(c3nc2c1)c1ccccc1
BDBM78810 Brc1ccc2[nH]c(=S)n(Cc3ccc(cc3)C(=O)NCCCN3CCCC3)c(=O)c2c1
BDBM78521 COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
BDBM78525 COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1
BDBM78626 Cc1nc(N)sc1C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|
BDBM78627 NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12 |w:4.3|
BDBM78696 OC(COCc1ccc2OCOc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM78699 Fc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
BDBM78535 CCOC(=O)c1cc(nc2n(C)nc(C)c12)-c1ccncc1
BDBM78536 CCCCn1c2nc(-c3ccc(cc3)C#N)n(C3CCCC3)c2c(=O)[nH]c1=O
BDBM78633 COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OC
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM78700 OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM78702 CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1
BDBM78703 N[C@@H](CO)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1
BDBM78757 [O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2ccncc2)cc1
BDBM78759 COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
BDBM78760 CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM78762 CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
BDBM78817 CCOc1ccc(cc1)-c1csc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)n1
BDBM78638 CCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
BDBM78639 COc1cc(C=NNC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC
BDBM78820 Cc1ccc(cc1Br)C(=O)NCCN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12 |t:37|
BDBM78543 CCCOc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O
BDBM78549 COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1
BDBM78550 Clc1cccc(c1)N1CCN(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1
BDBM78555 O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM78556 Cn1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O
BDBM78557 O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1
BDBM78604 OC(=O)c1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3ccsc3c2=O)cc1
BDBM78606 O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12
BDBM78616 CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc(OC)cc1
BDBM78618 CN(Cc1ccccc1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1
BDBM78619 COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC
BDBM78620 CCOC(=O)N1CCc2c(C1)sc(NC(=S)NCC=C)c2C(=O)OCC
BDBM78623 COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)c(OC)c1
BDBM78788 CC(=O)NC(=S)NNC(=O)c1ccc(Br)cc1
BDBM78824 Clc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2s1
BDBM78560 Cn1c2ncn(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O
BDBM78561 CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
BDBM78562 Cc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(C)cc1
BDBM78578 COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br
BDBM78581 [O-][N+](=O)c1ccc(CSCC(=O)N[N-][C+]2CCCCCC2)cc1
BDBM78583 C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC1=O)C(N)=O)[N+]([O-])=O
BDBM78599 COc1cc2nc(NCCCN3CCN(C)CC3)n3nc(nc3c2cc1OC)-c1ccccc1
BDBM78600 Cc1cc([nH]n1)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl |w:16.17|
BDBM78601 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccccc1
BDBM78670 CCNC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:7,14|
BDBM78733 NC(=S)NN=C1C(=O)N(CCCl)c2ccccc12 |w:4.3|
BDBM78825 CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12
BDBM78643 OC(COCc1ccc(Cl)cc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM78646 Cc1ccc(C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1
BDBM78707 CCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1
BDBM78829 Cc1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
BDBM78830 CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
BDBM78831 Cc1cc(SCC(=O)NC(=O)c2cccn2C)nc2ccccc12
BDBM78680 CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1
BDBM78711 COc1ccc(cc1Br)C(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1
BDBM78713 CC(C)CCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)c1ccco1
BDBM78720 COc1ccccc1NC(=O)c1c(cnn1C)N=Cc1ccccc1O |w:17.18|
BDBM78729 CCCCN(C)CCNC(=O)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
BDBM78779 CC(=NNC(=O)CSCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |w:2.2|
BDBM78780 O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
BDBM78781 Fc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
BDBM78782 Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1
BDBM78797 Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(-c2ccccc2)n1C
BDBM78837 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)C(C)CC
BDBM78878 Cc1ccc(cc1)S(=O)(=O)n1cc(C=O)c2ccccc12
BDBM78879 Cc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1
BDBM78882 COc1cc2\C(=N\NC(N)=S)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:20|
BDBM78887 CCCCN(C(=O)c1ccco1)c1nnc(s1)-c1cc(OC)c(OC)c(OC)c1
BDBM78888 CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)ccc1c23
BDBM78891 NC1=NC[C@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
BDBM78899 COCCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:8.7|
BDBM78653 COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1
BDBM78661 CC1=CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23 |t:1|
BDBM78666 CCC(OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccccc1
BDBM78669 Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|
BDBM78742 CNCc1cc(Br)c(OCC(=O)Nc2ccccc2OC)c(OC)c1
BDBM78743 Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
BDBM78839 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
BDBM78911 Brc1ccc2[nH]c(=S)n(CCCC(=O)N3CCN(CC3)c3ccccn3)c(=O)c2c1
BDBM78913 COC(=O)c1ccc(CN2C(=O)C(=NNC(N)=S)c3ccccc23)o1 |w:13.13|
BDBM78914 CCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC1CCCC1
BDBM78519 CCOC(=O)c1c(C)c2C(CCCc2n1C)N=O
BDBM78671 [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)NCC3CCCO3)c2c1 |w:11.11|
BDBM78673 Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
BDBM78735 CC(C)CC(N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
BDBM78736 [#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:6.6|
BDBM78738 COc1ccc(OC)c(C=CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 |w:9.8|
BDBM78845 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
BDBM78848 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
BDBM78849 COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|
BDBM78917 Cc1ccc(cc1)C(=O)NNC(=O)c1nn(ccc1=O)-c1ccc(F)cc1
BDBM78918 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccccc1Cl
BDBM78919 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1
BDBM78920 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F
BDBM78323 CCCCNC(=S)NNC1=c2ccccc2=NC1=O |c:9,16|
BDBM77606 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23|
BDBM78214 OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
BDBM78964 Cc1cccc2N(C3OC(CO)C(O)C(O)C3O)C(=O)C(=NNC(N)=S)c12 |w:21.22|
BDBM78966 CC(C)CC(N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
BDBM79084 CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
BDBM79092 Cc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
BDBM79351 C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(nn1)[C@@H](N)CCCCN
BDBM79352 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1
BDBM79353 NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CN)nn1
BDBM79034 COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1
BDBM79035 Clc1ccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)cc1
BDBM79040 Clc1cccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)c1
BDBM79041 Fc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl
BDBM79047 Cc1ccc(CN2CCC(CNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)CC2)cc1 |t:21|
BDBM79049 Cc1nn(C(=O)CCCC(=O)NCc2ccccc2C)c2ccccc12
BDBM79050 O=C(NCCCN1CCN(CC1)c1ccccc1)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12
BDBM79051 Cc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl
BDBM79052 CN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
BDBM79054 COc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
BDBM79058 CCOc1ccc(cc1)N(C(CC)C(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N
BDBM79201 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(-[#6]-[#6@@H](-[#6])-[#6]-[#6])nn1
BDBM79259 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(C)nn1
BDBM79354 [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@H](-[#6])-[#6]-[#6]
BDBM79403 NCCCNCCCCNCCCN
BDBM79404 C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2OC(=O)[C@H](N)CCCCN
BDBM79261 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCCCCN)nn1
BDBM79314 CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
BDBM79355 [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#6@@H](-[#6])-[#8])-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]
BDBM78945 FC(F)(F)c1cc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)cc(c1)C(F)(F)F
BDBM79101 Fc1ccc(cc1)N1CCN(CCCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1
BDBM79109 CCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
BDBM79112 CCOC(=O)c1c(NC(=O)COc2ccccc2C#N)sc2c1CC(C)(C)NC2(C)C
BDBM79113 CCOc1ccc(cc1)-c1nc(c(NC)o1)S(=O)(=O)c1ccccc1
BDBM79116 CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1
BDBM79117 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCC1)c2C(N)=O
BDBM79118 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCCCN1CCOCC1)c2C(N)=O
BDBM79120 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCC1CCCO1)c2C(N)=O
BDBM79126 CN(CCNC(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12)Cc1ccccc1
BDBM79127 CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1OC
BDBM79182 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
BDBM79062 Cc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
BDBM79065 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)C(=O)NC1CCCC1
BDBM79067 CCOc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
BDBM79071 Cc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1
BDBM79078 COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
BDBM79082 Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
BDBM79262 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1
BDBM79348 NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(CN)nn1
BDBM78988 CCCCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
BDBM78990 COc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O
BDBM79132 COc1ccc(cc1)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F)N(C)C
BDBM79135 CC1(C)Cc2c(C(N)=O)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C(C)(C)N1
BDBM79136 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2cc(C)cc(C)c2s1
BDBM79137 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc(C)cc(C)c2s1
BDBM79138 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1
BDBM79139 CN(C)CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc2cc3OCCOc3cc2s1
BDBM79140 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)C(=O)c1ccccc1
BDBM79141 COc1cc2nc(sc2cc1OC)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM79142 CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC
BDBM79143 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2ccc(Br)cc2s1
BDBM79146 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1nc2cc3OCOc3cc2s1
BDBM79150 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc3OCOc3cc2s1
BDBM79152 CNC(=O)c1ccsc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1
BDBM79153 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2cc3OCCOc3cc2s1
BDBM79158 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ncc(Cl)c(Cl)c1Cl |c:11|
BDBM79160 CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)-n1ccnc1
BDBM79162 COc1ccc(cc1)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)N1CCCC1
BDBM79164 Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2ccccc12
BDBM79168 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1cc(OC)c(OC)c(OC)c1 |c:11|
BDBM79171 Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2cc(ccc12)C(F)(F)F
BDBM79175 FC(F)(F)C1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
BDBM79177 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC
BDBM79335 Oc1cc(Nc2ccncc2)cc2cccnc12
BDBM79358 [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@@H](-[#6])-[#6]-[#6]
BDBM79362 CC(C)[C@H](N)c1cn(nn1)[C@@H](CO)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)O)n1cc(nn1)[C@@H](N)CCCCN
BDBM79196 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1
BDBM79207 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C
BDBM79363 NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O)n1cc(nn1)[C@@H](N)CC(N)=O
BDBM79183 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
BDBM79333 Oc1cc(cc2cccnc12)-c1ccc(cc1)C(=O)N1CCNCC1
BDBM79334 CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1
BDBM79364 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O
BDBM79370 Cn1cncc1C#Cc1c(sc2ccccc12)-c1ccc(cc1)S(C)(=O)=O
BDBM79371 CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NCCCN1CCOCC1
BDBM79376 COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
BDBM79384 O=C(COc1ccc(cc1)C#N)NNC(=S)NC(=O)C1CC1
BDBM79184 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6@@H](-[#6])-[#6]-[#6])-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1
BDBM79187 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(C)nn1
BDBM79199 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#6]-[#6]-[#6](-[#8])=O)nn1
BDBM79200 NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(CCO)nn1
BDBM79228 NC(=O)c1ccc(Cn2c(C(=O)c3cc(Cl)c(N)c(Cl)c3)c3ccccc3[n+]2[O-])cc1
BDBM79234 CCOc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCCCN2CCOCC2)cc1
BDBM79237 CSCCC(NC(=O)COc1ccccc1)C(=O)N1CCC(CC1)C(N)=O
BDBM79241 O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 |t:10,24|
BDBM79247 COc1ccccc1NC(=O)COc1ccc(cc1OC)C(=O)NCc1ccccc1
BDBM79266 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(C)nn1
BDBM79268 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1
BDBM79269 COc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCC2)cc1
BDBM79337 [H][C@@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6ccc7Oc8c(OC)cc(CCN1C)c2c8Oc7c56)ccc4OC)cc3
BDBM78954 CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1
BDBM79000 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)c(-[#8]-[#6]-c2ccccc2)c1 |w:4.3|
BDBM79001 Fc1cccc(CN2C(=O)c3cccc4cccc2c34)c1
BDBM79004 CCC(C)NC(C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1
BDBM79188 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM79191 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCO)nn1
BDBM79192 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCO)nn1
BDBM79252 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
BDBM79270 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1
BDBM79271 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM79272 COc1ccc(CN(C)C(=O)Cc2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)cc1OC
BDBM79276 NC(=O)NC(CC(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1
BDBM79278 COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1
BDBM79401 NC1=NC[C@@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
BDBM79009 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccc(OC)c2)-c2ccc(F)cc2)cc1
BDBM79010 COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12
BDBM79012 CCOc1ccccc1NC(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM79014 NCCc1nc2ccc(Cc3ccc4nc(CCN)[nH]c4c3)cc2[nH]1
BDBM79016 COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC
BDBM79017 COCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F
BDBM79254 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1
BDBM79342 COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(SC)cc1
BDBM79349 [#6]-[#6]-[#6@@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#7])nn1
BDBM79185 NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
BDBM78959 NCCNc1ccc(cc1[N+]([O-])=O)C(=O)N1c2ccccc2Sc2ccccc12
BDBM79022 CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12 |w:5.4,9.8|
BDBM79029 CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)cc1
BDBM79005 Cc1ccc(C)c(c1)S(=O)(=O)c1c[nH]c(=S)[nH]c1=O
BDBM79198 NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCO)nn1
BDBM79255 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM79301 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
BDBM78972 Oc1c(Cc2cnc[nH]2)[nH]c(=S)n1-c1ccccc1
BDBM79256 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1
BDBM79258 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCCCCN)nn1
BDBM79350 NCCCC[C@H](N)c1cn(nn1)[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1
BDBM83205 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
BDBM50073568 COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1
BDBM50086503 N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|
BDBM50130273 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM50241582 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50244355 CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO |r|
BDBM50331082 Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Br)CC1