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124 SMILES Strings for M18 aspartyl aminopeptidase

Compound NameSMILES String
BDBM29643 CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
BDBM3973 Oc1ccc(O)c(\C=C\NC=O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM23417 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM29687 Oc1ccc(O)c(c1)-c1cnns1
BDBM33152 CNCc1ccccc1Sc1ccc(O)c(O)c1
BDBM34221 Cc1cc(C)n2c(n[nH]c2=S)n1
BDBM33453 COc1ccc(cc1)C(=O)n1cnnc1N
BDBM32676 Cc1cc(C)cc(c1)C(=O)n1cnnc1N
BDBM34340 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
BDBM34737 Cc1ccc(cc1)-n1sc2ccccc2c1=O
BDBM34849 Cc1ccccc1-n1sc2cc(F)ccc2c1=O
BDBM34716 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
BDBM34788 CCOC(=O)NC1(Nc2ccc(C)cc2)Oc2ccccc2O1
BDBM34649 C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O
BDBM41221 CCC(C)c1ccc(O)c(N)c1
BDBM41233 Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1
BDBM40728 Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|
BDBM40697 Oc1ccc(cc1O)-c1cn2CCSc2n1
BDBM39612 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
BDBM39616 COCCNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
BDBM39633 FC(F)(F)C1(NC(=O)NCc2cccnc2)Oc2ccc(Cl)cc2O1
BDBM44818 CNC[C@H](O)c1ccc(O)c(O)c1
BDBM48455 Cc1nc(cs1)-c1ccc(O)c(O)c1
BDBM47613 COc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(O)c(O)c3)c2c1 |w:16.15|
BDBM47616 Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12 |w:8.7|
BDBM47815 COc1ccc(cc1)C1=CC(=O)C=CC1=O |c:13,t:9|
BDBM50180 Oc1ccccc1Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
BDBM50703 CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
BDBM49365 Oc1ccc(cc1O)-c1csc(n1)-c1ccccc1
BDBM53620 CC1(C)CC2(CC(c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1
BDBM53091 Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
BDBM53132 Oc1ccc(cc1O)-c1cn2ccccc2n1
BDBM53205 O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|
BDBM53037 Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O
BDBM55135 Brc1ccccc1C(=O)NC(=S)Nn1cnnc1
BDBM55136 Cc1cccc(NC(=S)Nn2cnnc2)c1C
BDBM55137 COc1cccc2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)cc(C)nc12 |w:13.12|
BDBM55138 CC(C)(C)c1ccc(O)c(c1)N=Cc1cc(Br)ccc1O |w:11.11|
BDBM55139 Fc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|
BDBM55140 Br\C(C=Nn1cnnc1)=C/c1ccccc1
BDBM55096 OC(=O)c1c[nH]nc1-n1cnnn1
BDBM55097 OC(=O)CSc1nnc[nH]1
BDBM55098 O=C(CSc1nnc[nH]1)OCN1C(=O)c2ccccc2C1=O
BDBM55099 CN1C(=O)N(C(n2cncn2)C1(C)C)c1cccc2ccccc12
BDBM55141 CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nn1cnnc1
BDBM55142 CCOC(=O)NC(=O)COC(=O)c1ccc(Sc2nnc[nH]2)c(c1)[N+]([O-])=O
BDBM55143 COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC
BDBM55100 Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br
BDBM55144 Cc1nnc(NNS(=O)(=O)c2ccc(Cl)cc2)[nH]c1=O
BDBM55145 O=c1[nH]c(CSc2nnc[nH]2)nc2ccccc12
BDBM55146 CC1(C)C2(CN3CC1(CN(C2)C3c1ccc(O)c(O)c1)[N+]([O-])=O)[N+]([O-])=O |TLB:12:11:4:1.7.6,1:7:3.4.10:11,1:3:7.6.8:11,THB:8:7:4:9.10.11,12:11:3.4.10:7.6.8,23:3:7.6.8:11,(9.98,-4.95,;9.98,-3.41,;11.31,-4.18,;10.93,-2.01,;10.93,-.52,;9.65,.22,;8.58,-1.07,;8.58,-2.68,;7.07,-2.75,;8.36,-2.01,;9.65,-2.48,;8.36,-.52,;7.27,.57,;5.78,.17,;4.69,1.26,;5.09,2.74,;4,3.83,;6.58,3.14,;6.98,4.63,;7.67,2.05,;7.59,-3.86,;6.08,-3.59,;8.12,-5.31,;12.42,-2.41,;13.51,-1.32,;12.82,-3.9,)|
BDBM55101 O=C(CSc1nnc(o1)-c1ccccc1)Nn1cnnc1
BDBM55102 Cc1c(cnn1C)C(=O)c1n[o+]n([O-])c1C(=O)c1cnn(C)c1C
BDBM55103 O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1
BDBM55147 Clc1ccc(Cl)c(NC(=S)Nn2cnnc2)c1
BDBM55148 O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)|
BDBM55149 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nn1cnnc1
BDBM55154 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(Cc1ccccc1)c2=O
BDBM55155 Oc1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1O
BDBM55156 Oc1ccc(CCNC(=O)C2COc3ccccc3O2)cc1O
BDBM55157 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nn1cnnc1
BDBM55104 Oc1c(C=Nn2cnnc2)c2ccccc2c(=O)n1-c1ccccc1 |w:4.4|
BDBM55105 FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccccc2O1
BDBM55106 Cc1cc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)no1
BDBM55107 COCC(C)NC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
BDBM55150 Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|
BDBM55151 Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1
BDBM55152 Clc1ccc(NC(=O)Nn2cnnc2)cc1Cl
BDBM55153 CC1=NC(=O)NC(C1[N+]([O-])=O)c1ccc(O)c(O)c1 |t:1|
BDBM55108 Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl
BDBM55109 COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1
BDBM55110 Clc1cc(Br)ccc1NC(=O)Nn1cnnc1
BDBM55111 O=C(Nn1cnnc1)c1ccccc1-c1ccccc1
BDBM55112 Cc1c(oc2ccccc12)C(=O)Nn1cnnc1
BDBM55113 O=C(Nn1cnnc1)c1csc2ccccc12
BDBM55158 Oc1ccc(C=Nn2cncn2)cc1O |w:6.6|
BDBM55159 OC(Cn1cnnc1)c1ccccc1
BDBM55160 CCOC(=O)C1C(NC(=O)N=C1CS(=O)(=O)c1ccc(F)cc1)c1ccc(O)c(O)c1 |c:10|
BDBM55161 CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1
BDBM55114 Cc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1
BDBM55115 O=C(CSc1nnc[nH]1)Nc1nc(ns1)-c1ccccc1
BDBM55116 COc1cccc(c1)-c1cc(C(=O)Nn2cnnc2)c2ccccc2n1
BDBM55117 COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1
BDBM55118 Cc1ccc(cc1)-n1c(O)c(C=Nn2cnnc2)c2ccccc2c1=O |w:12.13|
BDBM55119 COc1ccc(cc1)-n1c(O)c(C=Nn2cnnc2)c2ccccc2c1=O |w:13.14|
BDBM55162 Clc1ccccc1NC(=O)Nn1cnnc1
BDBM55163 [O-][N+](=O)c1ccc(NC(=O)Nn2cnnc2)cc1
BDBM55164 Clc1ccc(NC(=O)Nn2cnnc2)c(Cl)c1
BDBM55120 COc1cc(Br)cc(C=Nc2nnc[nH]2)c1O |w:9.9|
BDBM55121 NCCc1ccc(O)c(O)c1
BDBM55122 COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl
BDBM55123 Cc1ccc(cc1-c1[nH+]c([nH]c1-c1ccccc1)-[c-]1ccc(=O)c(O)c1)[N+]([O-])=O
BDBM55165 Cc1c(Cl)cccc1NC(=O)Nn1cnnc1
BDBM55166 FC(F)(F)c1cccc(NC(=O)Nn2cnnc2)c1
BDBM55167 Cc1ccc(Cl)cc1NC(=S)Nn1cnnc1
BDBM55124 O=S(=O)(Nn1cnnc1)c1ccccc1
BDBM55125 FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccccc2O1
BDBM55168 COc1cc(ccc1NC(=S)Nn1cnnc1)[N+]([O-])=O
BDBM55169 COc1cc(ccc1NC(=O)Nn1cnnc1)[N+]([O-])=O
BDBM55170 Cc1ccc(Cl)cc1NC(=O)Nn1cnnc1
BDBM55171 COc1ccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)cc1OC
BDBM55126 CC1(C)Cc2oc3cc(O)c(O)cc3c2C(=O)C1
BDBM55127 C(Nc1ccccn1)n1cncn1
BDBM55172 Clc1cccc(NC(=O)Nn2cnnc2)c1Cl
BDBM55173 Oc1ccc(\C=C\C(=O)NC(=O)c2ccccc2O)cc1O
BDBM55128 COc1ccc(Cl)cc1NC(=O)Nn1cnnc1
BDBM55129 CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1
BDBM55131 NC(N[N+]([O-])=O)=NN=Cc1ccc(O)cc1O |w:7.6,1.0|
BDBM55174 Fc1ccc(NC(=O)Nn2cnnc2)cc1Cl
BDBM55175 Cc1ccc(NC(=S)Nn2cnnc2)c(C)c1
BDBM55176 CCc1ccccc1NC(=S)Nn1cnnc1
BDBM55132 O=C(Nn1cnnc1)C=Cc1ccccc1 |w:9.10|
BDBM55133 [O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1
BDBM55134 Oc1ccc(cc1O)-c1csc(n1)-c1cccnc1
BDBM55177 Clc1ccc(Cl)c(NC(=O)Nn2cnnc2)c1
BDBM55178 [O-][N+](=O)c1cccc(NC(=O)Nn2cnnc2)c1
BDBM55179 CCOC(=O)c1ccc(NC(=O)Nn2cnnc2)cc1
BDBM55181 Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccccc1
BDBM55182 [#8]-c1cc(F)ccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)o1
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50088347 OC1CC(CC(O)C1OC(=O)\C=C/c1ccc(O)c(O)c1)(OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O |(15.05,-16.52,;15.01,-17.81,;17.21,-17.81,;18.36,-19.35,;17.21,-20.79,;15.01,-20.79,;15.01,-22.3,;13.89,-19.35,;13.89,-20.72,;12.55,-21.55,;11.17,-20.79,;12.55,-23.21,;11.29,-23.94,;10.01,-23.12,;10.01,-21.68,;8.68,-20.98,;7.43,-21.74,;6.08,-21.04,;7.43,-23.21,;6.12,-23.98,;8.73,-23.91,;18.36,-20.91,;19.71,-21.65,;21.08,-20.95,;19.71,-23.22,;20.99,-23.87,;22.27,-22.99,;22.27,-21.34,;23.45,-20.5,;24.9,-21.25,;26.26,-20.6,;24.9,-23.05,;26.28,-23.65,;23.64,-23.68,;18.36,-17.81,;19.77,-16.98,;17.63,-16.39,)|
BDBM50100861 OC(=O)c1ccc(O)c(O)c1