0 B14R1.863 CC(CO)CNc1ccccc1C#N Amb24365870 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.863 CCC(C)NCc1ccccc1OC Amb19890327 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.863 CCC(C)\N=C\c1ccccc1OC Amb21961838 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.863 CCC(N)C#Cc1ccccc1OC Amb25088695 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.863 CCC(O)CNc1ccccc1C#N Amb18304021 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.863 CC[C@@H](C)NCc1ccccc1OC Amb24181929 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.863 CNC(=O)COc1ccccc1OC Amb13954104 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.863 CNC(CCc1ccccc1OC)C Amb17507416 [0,0,0,0,0,0|4,0,0]=4 8 B14R1.863 CNc1ccccc1NCC(N)CC Amb25122636 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.863 CNc1ccccc1NC[C@@H](N)CC Amb25279504 [0,0,0,0,0,0|4,0,0]=4 10 B14R1.863 COc1ccccc1NCC(=N)NO Amb24096629 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.863 COc1ccccc1O[13CH2][13CH](O)[13CH2]O Amb22339010 [0,0,0,0,0,0|0,0,0]=0 12 B14R1.863 COc1ccccc1SCC(C)CN Amb19373201 [0,0,0,0,0,0|2,1,0]=3 13 B14R1.863 COc1ccccc1SCC(C)CN Amb22058919 [0,0,0,0,0,0|2,1,0]=3 14 B14R1.863 COc1ccccc1\C=C\C(O)CN Amb23443326 [0,0,0,0,0,0|2,0,1]=3 15 B14R1.863 N#CC(COc1ccccc1CC)N Amb17076571 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.863 N#CC(COc1ccccc1OC)N Amb17076568 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.863 N#Cc1cc[n]cc1NCC(O)CO Amb25366949 [0,0,0,0,0,0|4,0,0]=4 18 B14R1.863 N#Cc1ccc[n]c1NCC(O)CO Amb25724256 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.863 NCC(COc1ccccc1OC)O Amb1139643 [0,0,0,0,0,0|1,0,0]=1 20 B14R1.863 NCC(O)CNc1ccccc1C#N Amb18564868 [0,0,0,0,0,0|4,0,0]=4 21 B14R1.863 OCC(CNc1ccccc1C#N)O Amb17336425 [0,0,0,0,0,0|3,0,0]=3 22 B14R1.863 OCC(CSc1ccccc1C#N)O Amb17579290 [0,0,0,0,0,0|2,1,0]=3 23 B14R1.863 OCC(CSc1ncccc1C#N)O Amb17579320 [0,0,0,0,0,0|3,1,0]=4 24 B14R1.863 ONC(=O)COc1ccccc1OC Amb17236541 [0,0,0,0,0,0|1,0,2]=3 25 B13R1.84 BrCC\C=C\c1ccccc1OC Amb17159035 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.84 CCCC#Cc1ccccc1OC Amb25677413 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.84 CCCCOc1ccccc1CN Amb1132040 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.84 CCCCOc1ccccc1NC Amb20138962 [1,0,0,0,0,0|2,0,0]=3 29 B13R1.84 CCCCOc1ccccc1[Zn]Br Amb22897952 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.84 CCCNCc1ccccc1OC Amb19890382 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.84 CNCCCc1ccccc1OC Amb17104505 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.84 CNCCNc1ccccc1OC Amb18648411 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.84 CNCCSc1ccccc1OC Amb19044655 [1,0,0,0,0,0|2,1,0]=4 34 B13R1.84 COc1[n]cccc1C#CCCO Amb24469586 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.84 COc1ccc[n]c1C#CCCO Amb24461902 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.84 COc1ccccc1C#CCCCl Amb19052133 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.84 COc1ccccc1C#CCCN Amb25758085 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.84 COc1ccccc1C#CCCO Amb18180574 [1,0,0,0,0,0|1,0,1]=3 39 B13R1.84 COc1ccccc1CCCC=O Amb18549414 [1,0,0,0,0,0|1,0,2]=4 40 B13R1.84 COc1ccccc1CCCCN Amb18015289 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.84 COc1ccccc1OCC#CC Amb24363315 [1,0,0,0,0,0|1,0,2]=4 42 B13R1.84 COc1ccccc1OCCCN Amb19959604 [1,0,0,0,0,0|1,0,0]=2 43 B13R1.84 ClCCCOc1ccccc1OC Amb1135145 [1,0,0,0,0,0|1,0,0]=2 44 B13R1.84 ClCC\C=C\c1ccccc1OC Amb17236512 [1,0,0,0,0,0|2,0,1]=4 45 B13R1.84 N#CCCCc1ccccc1OC Amb17233102 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.84 N#CCCNc1ccccc1OC Amb1103896 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.84 N#CCCOc1ccccc1OC Amb1635748 [1,0,0,0,0,0|1,0,1]=3 48 B13R1.84 NCCCNc1ccccc1OC Amb17057731 [1,0,0,0,0,0|2,0,0]=3 49 B13R1.84 NCCCOc1ccccc1C#N Amb17740017 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.84 NCCCOc1ccccc1OC Amb1128912 [1,0,0,0,0,0|1,0,0]=2 51 B13R1.84 NCCNCc1ccccc1OC Amb17091025 [1,0,0,0,0,0|3,0,0]=4 52 B13R1.84 NCCOCc1ccccc1OC Amb17470641 [1,0,0,0,0,0|3,0,0]=4 53 B13R1.84 NCC\C=C\c1ccccc1OC Amb17138818 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.84 OCCCNc1ccccc1CC Amb17305812 [1,0,0,0,0,0|2,0,0]=3 55 B13R1.84 OCCCNc1ccccc1OC Amb17306866 [1,0,0,0,0,0|1,0,0]=2 56 B13R1.84 OCCNCc1ccccc1OC Amb13949022 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.90 CC(=O)CNc1ccccc1OC Amb25214659 [1,0,0,0,0,0|1,0,2]=4 58 B13R1.90 CC(C)COc1ccccc1CN Amb23522388 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.90 CC(C)COc1ccccc1NN Amb25851439 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.90 CC(C)COc1ccccc1[Zn]Br Amb22897950 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.90 CC(F)COc1ccccc1C#N Amb25255571 [1,0,0,0,0,0|3,0,0]=4 62 B13R1.90 CC(O)COc1ccc[n]c1C#N Amb25740280 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.90 CC(O)COc1ccccc1C#N Amb18180636 [1,0,0,0,0,0|2,0,0]=3 64 B13R1.90 CC(O)COc1ccccc1CN Amb19515660 [1,0,0,0,0,0|2,0,0]=3 65 B13R1.90 CC(O)CSc1ccccc1C#N Amb25344519 [1,0,0,0,0,0|2,1,0]=4 66 B13R1.90 CCc1ccccc1C#CC(C)O Amb24436764 [1,0,0,0,0,0|2,0,1]=4 67 B13R1.90 CCc1ccccc1NCC(O)C Amb17138928 [1,0,0,0,0,0|2,0,0]=3 68 B13R1.90 CCc1ccccc1NC[C@@H](C)O Amb24533801 [1,0,0,0,0,0|2,0,0]=3 69 B13R1.90 CCc1ccccc1NC[C@H](C)O Amb24652036 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.90 CCc1ccccc1OCC(=O)O Amb1102823 [1,0,0,0,0,0|1,0,2]=4 71 B13R1.90 CCc1ccccc1OC[C@@H](C)N Amb18035943 [1,0,0,0,0,0|2,0,0]=3 72 B13R1.90 CNc1ccccc1OCC(C)C Amb18316375 [1,0,0,0,0,0|2,0,0]=3 73 B13R1.90 CNc1ccccc1OCC(F)F Amb25334416 [1,0,0,0,0,0|3,0,0]=4 74 B13R1.90 CNc1ccccc1SCC(C)O Amb24663140 [1,0,0,0,0,0|1,1,0]=3 75 B13R1.90 COc1c[n]c[n]c1NCC(C)O Amb24455985 [1,0,0,0,0,0|3,0,0]=4 76 B13R1.90 COc1ccc[n]c1NCC(C)C Amb25293627 [1,0,0,0,0,0|3,0,0]=4 77 B13R1.90 COc1ccc[n]c1OCC(O)=O Amb24068925 [1,0,0,0,0,0|1,0,2]=4 78 B13R1.90 COc1ccccc1C#CC(C)O Amb25304072 [1,0,0,0,0,0|1,0,1]=3 79 B13R1.90 COc1ccccc1CCC(=O)C Amb17400663 [1,0,0,0,0,0|1,0,2]=4 80 B13R1.90 COc1ccccc1CCC(=O)O Amb1209239 [1,0,0,0,0,0|1,0,2]=4 81 B13R1.90 COc1ccccc1CCC(N)C Amb17507289 [1,0,0,0,0,0|2,0,0]=3 82 B13R1.90 COc1ccccc1CCN(C)N Amb18564139 [1,0,0,0,0,0|3,0,0]=4 83 B13R1.90 COc1ccccc1CNC(C)C Amb2118521 [1,0,0,0,0,0|3,0,0]=4 84 B13R1.90 COc1ccccc1NCC(=C)C Amb17306865 [1,0,0,0,0,0|2,0,1]=4 85 B13R1.90 COc1ccccc1NCC(C)S Amb24602405 [1,0,0,0,0,0|1,1,0]=3 86 B13R1.90 COc1ccccc1NCC(F)F Amb19059029 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.90 COc1ccccc1NCC(O)C Amb17139006 [1,0,0,0,0,0|1,0,0]=2 88 B13R1.90 COc1ccccc1OCC(=O)[O-] Amb1817904 [1,0,0,0,0,0|0,0,3]=4 89 B13R1.90 COc1ccccc1OCC(C)O Amb18187074 [1,0,0,0,0,0|0,0,0]=1 90 B13R1.90 COc1ccccc1OCC(N)C Amb10609793 [1,0,0,0,0,0|1,0,0]=2 91 B13R1.90 COc1ccccc1OCC(N)C Amb1138935 [1,0,0,0,0,0|1,0,0]=2 92 B13R1.90 COc1ccccc1OC[C@@H](C)N Amb18035955 [1,0,0,0,0,0|1,0,0]=2 93 B13R1.90 COc1ccccc1\C=C/C(C)C Amb22546751 [1,0,0,0,0,0|2,0,1]=4 94 B13R1.90 COc1ccccc1\C=C\C(C)Br Amb24407802 [1,0,0,0,0,0|2,0,1]=4 95 B13R1.90 COc1ccccc1\C=C\C(C)Cl Amb24399502 [1,0,0,0,0,0|2,0,1]=4 96 B13R1.90 COc1ccccc1\C=C\C(C)N Amb25191570 [1,0,0,0,0,0|2,0,1]=4 97 B13R1.90 CSc1ccccc1NCC(C)O Amb24469927 [1,0,0,0,0,0|1,1,0]=3 98 B13R1.90 CSc1ccccc1NC[C@@H](C)O Amb24450567 [1,0,0,0,0,0|1,1,0]=3 99 B13R1.90 C[C@@H](O)CNc1ccccc1C#N Amb24378603 [1,0,0,0,0,0|3,0,0]=4 100 B13R1.90 C[C@@H](O)COc1ccccc1C#N Amb25086791 [1,0,0,0,0,0|2,0,0]=3 101 B13R1.90 NCc1ccccc1OCC(C)C Amb1140371 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.90 [C-]#[N+]c1ccccc1CCC(C)O Amb25306258 [1,0,0,0,0,0|2,0,1]=4 103 B13R1.528 CC(CO)CNc1ccccc1Cl Amb24609706 [1,0,0,0,0,0|3,0,0]=4 104 B13R1.528 CC(CO)CNc1ccccc1F Amb25755072 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.528 CC(CO)CNc1ccccc1I Amb24575164 [1,0,0,0,0,0|3,0,0]=4 106 B13R1.528 CC(CO)\N=C\c1ccccc1O Amb25173704 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.528 CCC(N)COc1ccccc1F Amb18328168 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.528 CCC(N)COc1ccccc1F Amb19351287 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.528 CCC(O)CNc1ccccc1Br Amb18304023 [1,0,0,0,0,0|3,0,0]=4 110 B13R1.528 CCC(O)CNc1ccccc1Cl Amb18304026 [1,0,0,0,0,0|3,0,0]=4 111 B13R1.528 CCC(O)CNc1ccccc1F Amb18304027 [1,0,0,0,0,0|3,0,0]=4 112 B13R1.528 CCC(O)CNc1ccccc1I Amb25853483 [1,0,0,0,0,0|3,0,0]=4 113 B13R1.528 CC[C@@H](O)CNc1ccccc1Cl Amb25792691 [1,0,0,0,0,0|3,0,0]=4 114 B13R1.528 CC[C@H](O)CNc1ccccc1F Amb25767435 [1,0,0,0,0,0|3,0,0]=4 115 B13R1.528 C\C(\COc1ccccc1O)=N/O Amb24492448 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.528 Cc1c[n]ccc1NC[C@@H](O)CC Amb25821112 [1,0,0,0,0,0|3,0,0]=4 117 B13R1.528 Cc1ccc[n]c1NCC(C)CO Amb24703582 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.528 Cc1ccc[n]c1NCC(O)CN Amb24737148 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.528 Cc1ccc[n]c1NCC(O)CO Amb24520827 [1,0,0,0,0,0|2,0,0]=3 120 B13R1.528 Cc1ccccc1C#CC(O)CC Amb24403934 [1,0,0,0,0,0|2,0,1]=4 121 B13R1.528 Cc1ccccc1C#C[C@@H](O)CC Amb25180202 [1,0,0,0,0,0|2,0,1]=4 122 B13R1.528 Cc1ccccc1CCC(=O)CO Amb18065752 [1,0,0,0,0,0|1,0,2]=4 123 B13R1.528 Cc1ccccc1CCC(N)CO Amb18065850 [1,0,0,0,0,0|2,0,0]=3 124 B13R1.528 Cc1ccccc1CCC(O)C#C Amb24362081 [1,0,0,0,0,0|2,0,1]=4 125 B13R1.528 Cc1ccccc1CCC(O)CN Amb18065879 [1,0,0,0,0,0|2,0,0]=3 126 B13R1.528 Cc1ccccc1NCC(C)CN Amb24360914 [1,0,0,0,0,0|3,0,0]=4 127 B13R1.528 Cc1ccccc1NCC(O)C=C Amb25081270 [1,0,0,0,0,0|2,0,1]=4 128 B13R1.528 Cc1ccccc1NCC(O)CC Amb18304030 [1,0,0,0,0,0|2,0,0]=3 129 B13R1.528 Cc1ccccc1OCC(=O)CO Amb18065910 [1,0,0,0,0,0|0,0,2]=3 130 B13R1.528 Cc1ccccc1OCC(=O)NO Amb25093365 [1,0,0,0,0,0|1,0,2]=4 131 B13R1.528 Cc1ccccc1OCC(C)NN Amb18065972 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.528 Cc1ccccc1OCC(Cl)C#N Amb25854090 [1,0,0,0,0,0|2,0,1]=4 133 B13R1.528 Cc1ccccc1OCC(N)CO Amb18564170 [1,0,0,0,0,0|1,0,0]=2 134 B13R1.528 Cc1ccccc1OCC(O)C#N Amb25356219 [1,0,0,0,0,0|1,0,1]=3 135 B13R1.528 Cc1ccccc1OCC(O)CN Amb21953972 [1,0,0,0,0,0|1,0,0]=2 136 B13R1.528 Cc1ccccc1\C=C\C(O)CN Amb25192269 [1,0,0,0,0,0|2,0,1]=4 137 B13R1.528 Cc1ccccc1\C=C\C(O)CO Amb24618735 [1,0,0,0,0,0|1,0,1]=3 138 B13R1.528 ClCC(=O)COc1ccccc1C Amb17139728 [1,0,0,0,0,0|1,0,2]=4 139 B13R1.528 N#CC(COc1ccccc1C)N Amb17076556 [1,0,0,0,0,0|2,0,1]=4 140 B13R1.528 NC(CO)CCc1ccccc1Br Amb18071604 [1,0,0,0,0,0|3,0,0]=4 141 B13R1.528 NC(CO)CCc1ccccc1Cl Amb18066512 [1,0,0,0,0,0|3,0,0]=4 142 B13R1.528 NC(CO)CCc1ccccc1F Amb18066104 [1,0,0,0,0,0|3,0,0]=4 143 B13R1.528 NC(CO)COc1ccccc1Br Amb18579699 [1,0,0,0,0,0|2,0,0]=3 144 B13R1.528 NC(CO)COc1ccccc1Cl Amb18566446 [1,0,0,0,0,0|2,0,0]=3 145 B13R1.528 NC(CO)COc1ccccc1F Amb18066160 [1,0,0,0,0,0|2,0,0]=3 146 B13R1.528 NCC(CNc1ccccc1C)O Amb17138993 [1,0,0,0,0,0|2,0,0]=3 147 B13R1.528 NCC(CNc1ccccc1F)O Amb17139089 [1,0,0,0,0,0|3,0,0]=4 148 B13R1.528 NCC(COc1ccccc1C)O Amb1124687 [1,0,0,0,0,0|1,0,0]=2 149 B13R1.528 NCC(COc1ccccc1Cl)O Amb1128690 [1,0,0,0,0,0|2,0,0]=3 150 B13R1.528 NCC(O)CCc1ccccc1Br Amb18155749 [1,0,0,0,0,0|3,0,0]=4 151 B13R1.528 NCC(O)CCc1ccccc1Cl Amb18066529 [1,0,0,0,0,0|3,0,0]=4 152 B13R1.528 Nc1c[n]ccc1NCC(O)CO Amb25291439 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.528 Nc1ccccc1NCC(O)CCl Amb18653417 [1,0,0,0,0,0|3,0,0]=4 154 B13R1.528 OC(CCl)CNc1ccccc1F Amb24729337 [1,0,0,0,0,0|3,0,0]=4 155 B13R1.528 OC(CNc1ccccc1Cl)CCl Amb24704371 [1,0,0,0,0,0|3,0,0]=4 156 B13R1.528 OCC(=O)COc1ccccc1Br Amb18072010 [1,0,0,0,0,0|1,0,2]=4 157 B13R1.528 OCC(=O)COc1ccccc1Cl Amb18566284 [1,0,0,0,0,0|1,0,2]=4 158 B13R1.528 OCC(=O)COc1ccccc1F Amb18564273 [1,0,0,0,0,0|1,0,2]=4 159 B13R1.528 OCC(CNc1ccccc1Br)O Amb17306218 [1,0,0,0,0,0|2,0,0]=3 160 B13R1.528 OCC(CNc1ccccc1C)O Amb17306596 [1,0,0,0,0,0|1,0,0]=2 161 B13R1.528 OCC(CNc1ccccc1Cl)O Amb17337707 [1,0,0,0,0,0|2,0,0]=3 162 B13R1.528 OCC(CNc1ccccc1F)O Amb17335735 [1,0,0,0,0,0|2,0,0]=3 163 B13R1.528 OCC(COc1ccccc1Br)C Amb17257491 [1,0,0,0,0,0|2,0,0]=3 164 B13R1.528 OCC(COc1ccccc1C)C Amb17233714 [1,0,0,0,0,0|1,0,0]=2 165 B13R1.528 OCC(COc1ccccc1Cl)C Amb17237188 [1,0,0,0,0,0|2,0,0]=3 166 B13R1.528 OCC(COc1ccccc1F)C Amb17234069 [1,0,0,0,0,0|2,0,0]=3 167 B13R1.528 OCC(O)CNc1[n]cccc1I Amb25220412 [1,0,0,0,0,0|3,0,0]=4 168 B13R1.528 OCC(O)CNc1ccccc1I Amb24694719 [1,0,0,0,0,0|2,0,0]=3 169 B13R1.528 OC[C@@H](O)CNc1ccccc1Br Amb25360770 [1,0,0,0,0,0|2,0,0]=3 170 B13R1.528 OC[C@@H](O)CNc1ccccc1F Amb19057874 [1,0,0,0,0,0|2,0,0]=3 171 B13R1.528 ONC(=O)COc1ccccc1O Amb1332070 [1,0,0,0,0,0|1,0,2]=4 172 B13R1.528 [C-]#[N+]C(C)COc1ccccc1C Amb25350880 [1,0,0,0,0,0|3,0,0]=4 173 B13R1.528 [O-]CC(O)COc1ccccc1F Amb24113409 [1,0,0,0,0,0|1,0,1]=3 174 B15R1.87 COc1ccccc1OCC(C(C)C)N Amb17110160 [0,1,0,0,0,0|2,0,0]=3 175 B15R1.87 COc1ccccc1OCC(O)C(O)=O Amb24061246 [0,1,0,0,0,0|0,0,1]=2 176 B15R1.273 C=CCc1ccccc1OCC(CN)O Amb1058546 [0,1,0,0,0,0|2,0,1]=4 177 B15R1.273 CCOc1ccccc1OCC(=N)NO Amb17240555 [0,1,0,0,0,0|2,0,1]=4 178 B15R1.273 CCOc1ccccc1OCC(=O)CCl Amb17142483 [0,1,0,0,0,0|1,0,2]=4 179 B15R1.273 CCOc1ccccc1OCC(CN)O Amb1127852 [0,1,0,0,0,0|1,0,0]=2 180 B15R1.273 CCOc1ccccc1OCC(CO)C Amb17240617 [0,1,0,0,0,0|1,0,0]=2 181 B15R1.768 CCCC(O)C#Cc1ccccc1OC Amb24059286 [0,1,0,0,0,0|2,0,1]=4 182 B15R1.768 CONC(=O)COc1ccccc1OC Amb16969949 [0,1,0,0,0,0|1,0,2]=4 183 B15R1.768 NOCC(COc1ccccc1CC)O Amb17104973 [0,1,0,0,0,0|1,0,0]=2 184 B15R1.768 NOCC(COc1ccccc1OC)O Amb17104970 [0,1,0,0,0,0|0,0,0]=1 185 B15R1.768 OCCN(CCc1ccccc1OC)C Amb17339372 [0,1,0,0,0,0|3,0,0]=4 186 B15R1.1108 CC(=O)c1ccccc1OCC(O)CO Amb18092927 [0,1,0,0,0,0|1,0,0]=2 187 B15R1.1108 NCC(COc1ccccc1C(C)C)O Amb1128287 [0,1,0,0,0,0|2,0,0]=3 188 B15R1.1108 [O-][N+](=O)c1ccccc1SCC(O)CO Amb23701474 [0,1,0,0,0,0|2,1,0]=4 189 B15R1.4545 COc1ccccc1NCC(C)(C)CO Amb18933284 [0,1,0,0,0,0|2,0,0]=3 190 B15R1.4545 N#CC(COc1ccccc1OC)(C)C Amb17238403 [0,1,0,0,0,0|2,0,1]=4 191 B15R1.4804 OC(CO)CSc1cccc(c1C#N)F Amb17580640 [0,1,0,0,0,0|2,1,0]=4 192 B15R1.12623 OC[C@@H](NC(=O)c1ccccc1OC)C Amb16786109 [0,1,0,0,0,0|3,0,0]=4 193 B15R1.13065 N#CC(COc1ccc(cc1OC)C)N Amb17076597 [0,1,0,0,0,0|2,0,1]=4 194 B15R1.13065 N#Cc1cc(Br)ccc1NCC(O)CO Amb23778298 [0,1,0,0,0,0|3,0,0]=4 195 B15R2.4 CC(CO)CN1CCc2ccccc12 Amb25183773 [0,0,0,1,0,0|3,0,0]=4 196 B15R2.4 CC(CO)NC1COc2ccccc21 Amb25377658 [0,0,0,1,0,0|3,0,0]=4 197 B15R2.4 CCC(N)CC1COc2ccccc21 Amb24371494 [0,0,0,1,0,0|3,0,0]=4 198 B15R2.4 CCC(O)CC1COc2ccccc21 Amb25796432 [0,0,0,1,0,0|2,0,0]=3 199 B15R2.4 CCC(O)CN1CCc2ccccc12 Amb19050213 [0,0,0,1,0,0|3,0,0]=4 200 B15R2.4 CC[C@@H](O)CN1CCc2ccccc12 Amb24692242 [0,0,0,1,0,0|3,0,0]=4 201 B15R2.4 CC[C@H](O)CN1CCc2ccccc12 Amb25100808 [0,0,0,1,0,0|3,0,0]=4 202 B15R2.4 C[C@H](CO)NC1COc2ccccc21 Amb25086470 [0,0,0,1,0,0|3,0,0]=4 203 B15R2.4 NC(CC1CSc2ccccc21)CO Amb24474493 [0,0,0,1,0,0|2,1,0]=4 204 B15R2.4 NCC(CN1CCc2c1cccc2)O Amb1134116 [0,0,0,1,0,0|3,0,0]=4 205 B15R2.4 NC[C@@H](O)CN1CCc2ccccc12 Amb25327973 [0,0,0,1,0,0|3,0,0]=4 206 B15R2.4 OC(CBr)CN1CCc2ccccc12 Amb24658165 [0,0,0,1,0,0|3,0,0]=4 207 B15R2.4 OCC(Cn1ccc2c1cccc2)O Amb17594991 [0,0,0,1,0,0|2,0,1]=4 208 B15R2.4 OCC(O)C[n]1[n][n]c2ccccc12 Amb25058476 [0,0,0,1,0,0|3,0,0]=4 209 B15R2.4 OCC(O)C[n]1c[n]c2ccccc12 Amb25035780 [0,0,0,1,0,0|2,0,1]=4 210 B15R2.4 OCC(O)Cc1c[nH]c2ccccc21 Amb25047270 [0,0,0,1,0,0|2,0,1]=4 211 B15R2.1158 OC1COc2ccccc2OCC1O Amb24430048 [0,0,0,1,0,0|0,0,0]=1 212 B15R2.1592 CN1C(Cc2ccccc12)C(N)CO Amb25223922 [0,0,0,1,0,0|3,0,0]=4 213 B15R2.1592 CN1C(Cc2ccccc12)C(O)CN Amb25174500 [0,0,0,1,0,0|3,0,0]=4 214 B15R2.1592 C[n]1c2ccccc2cc1C(O)CO Amb22900984 [0,0,0,1,0,0|2,0,1]=4 215 B15R2.1592 Cc1c(oc2ccccc21)C(N)CO Amb24671227 [0,0,0,1,0,0|2,0,1]=4 216 B15R2.1592 Cc1c(oc2ccccc21)C(O)CCl Amb24521397 [0,0,0,1,0,0|2,0,1]=4 217 B15R2.1592 Cc1c(oc2ccccc21)[C@@H](O)CCl Amb24724827 [0,0,0,1,0,0|2,0,1]=4 218 B15R2.1592 OCC(c1nc2c(n1C)cccc2)O Amb13945660 [0,0,0,1,0,0|2,0,1]=4 219 B15R2.1601 C#CC(O)C1COc2ccccc2C1 Amb24457190 [0,0,0,1,0,0|2,0,1]=4 220 B15R2.1601 C=CC(N)C1COc2ccccc2O1 Amb25076837 [0,0,0,1,0,0|2,0,1]=4 221 B15R2.1601 C=CC(O)C1COc2ccccc2C1 Amb24699870 [0,0,0,1,0,0|2,0,1]=4 222 B15R2.1601 CC(CO)C1CCc2ccccc2N1 Amb25193482 [0,0,0,1,0,0|3,0,0]=4 223 B15R2.1601 CCC(Br)C1COc2ccccc2C1 Amb25363898 [0,0,0,1,0,0|3,0,0]=4 224 B15R2.1601 CCC(N)C1COc2ccccc2O1 Amb25815005 [0,0,0,1,0,0|2,0,0]=3 225 B15R2.1601 CCC(N)C1CSc2ccccc2O1 Amb24442163 [0,0,0,1,0,0|2,1,0]=4 226 B15R2.1601 CCC(O)C1CCc2ccccc2N1 Amb25051764 [0,0,0,1,0,0|3,0,0]=4 227 B15R2.1601 CCC(O)C1COc2ccccc2C1 Amb25303640 [0,0,0,1,0,0|2,0,0]=3 228 B15R2.1601 CC[C@@H](N)C1COc2ccccc2C1 Amb24737792 [0,0,0,1,0,0|3,0,0]=4 229 B15R2.1601 CC[C@@H](N)C1COc2ccccc2O1 Amb25185894 [0,0,0,1,0,0|2,0,0]=3 230 B15R2.1601 CC[C@@H](N)C1CSc2ccccc2O1 Amb25666544 [0,0,0,1,0,0|2,1,0]=4 231 B15R2.1601 CC[C@H](N)C1COc2ccccc2C1 Amb25371186 [0,0,0,1,0,0|3,0,0]=4 232 B15R2.1601 CC[C@H](N)C1CSc2ccccc2O1 Amb24500405 [0,0,0,1,0,0|2,1,0]=4 233 B15R2.1601 CC[C@H](O)C1CCc2ccccc2C1 Amb24467265 [0,0,0,1,0,0|3,0,0]=4 234 B15R2.1601 CNC(C1COc2c(O1)cccc2)C Amb10608540 [0,0,0,1,0,0|3,0,0]=4 235 B15R2.1601 N=C(NO)C1COc2ccccc2O1 Amb22274884 [0,0,0,1,0,0|2,0,1]=4 236 B15R2.1601 NC(CN)C1Cc2ccccc2OC1 Amb25834818 [0,0,0,1,0,0|3,0,0]=4 237 B15R2.1601 NCC(O)C1CCc2ccccc2O1 Amb25738923 [0,0,0,1,0,0|2,0,0]=3 238 B15R2.1601 NCC(O)C1COc2ccccc2O1 Amb24348060 [0,0,0,1,0,0|1,0,0]=2 239 B15R2.1601 O=C(CBr)C1COc2ccccc2O1 Amb24081186 [0,0,0,1,0,0|1,0,2]=4 240 B15R2.1601 O=C(CCl)C1COc2ccccc2O1 Amb22395329 [0,0,0,1,0,0|1,0,2]=4 241 B15R2.1601 OC(CCl)C1=COc2ccccc2O1 Amb25834587 [0,0,0,1,0,0|1,0,2]=4 242 B15R2.1775 CCc1cccc2c1OCC(CN2)C Amb17570603 [0,0,0,1,0,0|3,0,0]=4 243 B15R2.1775 COc1cccc2SCC(C)CNc21 Amb24368147 [0,0,0,1,0,0|2,1,0]=4 244 B15R2.1919 CC1CCC1Nc2ccccc2OC Amb24665382 [0,0,0,1,0,0|3,0,0]=4 245 B15R2.1919 COc1ccccc1CC2CCC2N Amb24670775 [0,0,0,1,0,0|3,0,0]=4 246 B15R2.1920 COc1ccccc1\C=C/2\CC2CO Amb24534929 [0,0,0,1,0,0|2,0,1]=4 247 B15R2.1922 COc1ccccc1NCC2(C)CC2 Amb24503095 [0,0,0,1,0,0|3,0,0]=4 248 B15R2.1922 COc1ccccc1NCC2(F)CC2 Amb25666677 [0,0,0,1,0,0|3,0,0]=4 249 B15R2.2189 CCc1ccccc1C2CCC(O)C2 Amb24396624 [0,0,0,1,0,0|3,0,0]=4 250 B15R2.2189 COc1[n]cccc1C2CCC(O)C2 Amb25116253 [0,0,0,1,0,0|3,0,0]=4 251 B15R2.2189 COc1ccc[n]c1N2CC(O)CC2 Amb25685244 [0,0,0,1,0,0|3,0,0]=4 252 B15R2.2189 COc1ccc[n]c1N2CC(O)CO2 Amb25693670 [0,0,0,1,0,0|2,0,0]=3 253 B15R2.2189 COc1ccccc1C2CC(F)CN2 Amb25267755 [0,0,0,1,0,0|3,0,0]=4 254 B15R2.2189 COc1ccccc1C2CC(O)C=C2 Amb25741476 [0,0,0,1,0,0|2,0,1]=4 255 B15R2.2189 COc1ccccc1C2CCC(C2)N Amb17401549 [0,0,0,1,0,0|3,0,0]=4 256 B15R2.2189 COc1ccccc1C2CCC(C2)O Amb17401640 [0,0,0,1,0,0|2,0,0]=3 257 B15R2.2189 COc1ccccc1N2CC(O)CC2 Amb23441913 [0,0,0,1,0,0|2,0,0]=3 258 B15R2.2189 COc1ccccc1[C@@H]2CC[C@H](N)C2 Amb24543680 [0,0,0,1,0,0|3,0,0]=4 259 B15R2.2189 C[C@@H]1CN[C@@H](C1)c2ccccc2OC Amb18818123 [0,0,0,1,0,0|3,0,0]=4 260 B15R2.2189 N#Cc1ccccc1N2CC(O)CO2 Amb25267691 [0,0,0,1,0,0|3,0,0]=4 261 B15R2.2285 OCC1COc2ccccc2CCC1 Amb25190714 [0,0,0,1,0,0|2,0,0]=3 262 B15R2.2310 CCC1Cc2cccc(OC)c2CC1 Amb25287950 [0,0,0,1,0,0|3,0,0]=4 263 B15R2.2310 CCc1cccc2NC(CO)CCc21 Amb25710428 [0,0,0,1,0,0|3,0,0]=4 264 B15R2.2310 CCc1cccc2N[C@H](CO)CCc21 Amb24437544 [0,0,0,1,0,0|3,0,0]=4 265 B15R2.2310 COc1cccc2C=C(CO)CCc21 Amb25073497 [0,0,0,1,0,0|2,0,1]=4 266 B15R2.2310 COc1cccc2CC(CN)CNc21 Amb18817105 [0,0,0,1,0,0|3,0,0]=4 267 B15R2.2310 COc1cccc2CC(CN)CSc21 Amb18774848 [0,0,0,1,0,0|2,1,0]=4 268 B15R2.2310 COc1cccc2CC(CO)NCc21 Amb25286683 [0,0,0,1,0,0|3,0,0]=4 269 B15R2.2310 COc1cccc2C[C@H](CO)CCc21 Amb25823113 [0,0,0,1,0,0|2,0,0]=3 270 B15R2.2310 COc1cccc2NC(CO)CCc12 Amb24367853 [0,0,0,1,0,0|2,0,0]=3 271 B15R2.2310 CSc1cccc2NC(CO)CCc12 Amb25714721 [0,0,0,1,0,0|2,1,0]=4 272 B15R2.2310 N#Cc1cccc2OC(CCl)COc12 Amb25695457 [0,0,0,1,0,0|3,0,0]=4 273 B15R2.2310 NCC1COc2c(C1)cccc2OC Amb17606148 [0,0,0,1,0,0|2,0,0]=3 274 B15R2.4927 CC1C(O)CC1c2ccccc2OC Amb24692391 [0,0,0,1,0,0|2,0,0]=3 275 B15R2.4929 COc1ccc[n]c1N2CC(CO)C2 Amb25727916 [0,0,0,1,0,0|3,0,0]=4 276 B15R2.4929 COc1ccccc1C2CC(C2)NO Amb24673838 [0,0,0,1,0,0|3,0,0]=4 277 B15R2.4929 COc1ccccc1C2CC(CN)C2 Amb24645244 [0,0,0,1,0,0|3,0,0]=4 278 B15R2.4953 COc1ccccc1CNC2COC2 Amb19893307 [0,0,0,1,0,0|3,0,0]=4 279 B15R2.4959 COc1ccccc1C2CC2(N)CO Amb24653957 [0,0,0,1,0,0|2,0,0]=3 280 B15R2.7343 CC1=NCC(O)COc2ccccc21 Amb24618119 [0,0,0,1,0,0|2,0,0]=3 281 B15R2.20918 COc1cccc2c1CCC2(N)CO Amb24441982 [0,0,0,1,0,0|2,0,0]=3 282 B15R2.20918 COc1cccc2c1CCC2(O)CO Amb24718507 [0,0,0,1,0,0|1,0,0]=2 283 B15R2.20918 NCC1(O)CCc2c1cccc2OC Amb17088086 [0,0,0,1,0,0|2,0,0]=3 284 B15R2.20926 CC1C(N)CCc2c1cccc2OC Amb18650920 [0,0,0,1,0,0|3,0,0]=4 285 B15R2.20926 CC1C(O)CCc2c1cccc2OC Amb25120043 [0,0,0,1,0,0|2,0,0]=3 286 B15R2.20926 CC1CSc2c(cccc2C1N)OC Amb18278772 [0,0,0,1,0,0|2,1,0]=4 287 B15R2.20926 COc1cccc2C(N)C(O)CCc21 Amb22585590 [0,0,0,1,0,0|2,0,0]=3 288 B15R2.20926 COc1cccc2C(N)C(O)COc21 Amb25099413 [0,0,0,1,0,0|1,0,0]=2 289 B15R2.20926 COc1cccc2C(O)C(N)CCc12 Amb22496613 [0,0,0,1,0,0|2,0,0]=3 290 B15R2.20926 COc1cccc2C(O)C(N)COc21 Amb22585924 [0,0,0,1,0,0|1,0,0]=2 291 B15R2.20926 COc1cccc2C(O)C(O)C=Cc21 Amb25191125 [0,0,0,1,0,0|1,0,1]=3 292 B15R2.20926 COc1cccc2[C@@H](O)[C@H](F)C=Cc21 Amb25204751 [0,0,0,1,0,0|2,0,1]=4 293 B15R2.20926 COc1cccc2[C@H](O)[C@H](N)CCc12 Amb24552970 [0,0,0,1,0,0|2,0,0]=3 294 B15R2.20926 COc1cccc2c1CCC(C2O)N Amb2383080 [0,0,0,1,0,0|2,0,0]=3 295 B15R2.20926 COc1cccc2c1OCC(Br)C2=O Amb25098682 [0,0,0,1,0,0|1,0,2]=4 296 B15R2.20926 COc1cccc2c1OCC(N)C2=O Amb24079244 [0,0,0,1,0,0|1,0,2]=4 297 B15R2.20926 C[C@@H]1[C@@H](O)CCc2c1cccc2OC Amb25221016 [0,0,0,1,0,0|2,0,0]=3 298 B15R2.26610 CC1(CO)COc2ccccc2C1N Amb25756290 [0,0,0,1,0,0|3,0,0]=4 299 B15R2.26610 C[C@@]1(COc2ccccc2[C@@H]1O)CO Amb24674251 [0,0,0,1,0,0|3,0,0]=4 300 B15R2.26610 C[C@@]1(COc2ccccc2[C@H]1O)CO Amb25378907 [0,0,0,1,0,0|3,0,0]=4 301 B15R2.26610 C[C@]1(COc2ccccc2[C@@H]1O)CO Amb24555584 [0,0,0,1,0,0|3,0,0]=4 302 B15R2.26610 C[C@]1(COc2ccccc2[C@H]1O)CO Amb24515268 [0,0,0,1,0,0|3,0,0]=4 303 B15R2.26610 OCC1(C)COc2c(C1=O)cccc2 Amb10783200 [0,0,0,1,0,0|3,0,0]=4 304 B15R2.26653 NCC1(O)COc2ccccc2OC1 Amb22643038 [0,0,0,1,0,0|1,0,0]=2 305 B15R2.26653 OCC1(O)COc2ccccc2C=C1 Amb25852910 [0,0,0,1,0,0|1,0,1]=3 306 B13R1.91 BrCC(Oc1ccccc1CC)C Amb17256449 [0,0,0,0,1,0|3,0,0]=4 307 B13R1.91 BrCC(Oc1ccccc1OC)C Amb17257498 [0,0,0,0,1,0|2,0,0]=3 308 B13R1.91 CCc1ccccc1NC(C)CO Amb25758395 [0,0,0,0,1,0|3,0,0]=4 309 B13R1.91 COc1ccccc1CC(=O)CO Amb18065904 [0,0,0,0,1,0|0,0,2]=3 310 B13R1.91 COc1ccccc1CC(C)C#N Amb18795660 [0,0,0,0,1,0|2,0,1]=4 311 B13R1.91 COc1ccccc1CC(N)C#N Amb25678470 [0,0,0,0,1,0|2,0,1]=4 312 B13R1.91 COc1ccccc1NC(C)CO Amb19008987 [0,0,0,0,1,0|2,0,0]=3 313 B13R1.91 COc1ccccc1OC(=O)CC Amb24079979 [0,0,0,0,1,0|1,0,2]=4 314 B13R1.91 COc1ccccc1OC(=O)CN Amb19115310 [0,0,0,0,1,0|1,0,2]=4 315 B13R1.91 CSc1ccccc1NC(C)CO Amb25758396 [0,0,0,0,1,0|2,1,0]=4 316 B13R1.91 C\C(\CO)=C\c1ccccc1OC Amb24391385 [0,0,0,0,1,0|1,0,2]=4 317 B13R1.91 ClCC(=O)Cc1ccccc1OC Amb17139726 [0,0,0,0,1,0|1,0,2]=4 318 B13R1.91 ClCC(Oc1ccccc1CC)C Amb17236886 [0,0,0,0,1,0|3,0,0]=4 319 B13R1.91 ClCC(Oc1ccccc1OC)C Amb17237195 [0,0,0,0,1,0|2,0,0]=3 320 B13R1.91 NCC(Cc1ccccc1OC)O Amb17233802 [0,0,0,0,1,0|1,0,0]=2 321 B13R1.91 N[C@H](CO)Cc1ccccc1C#N Amb24346870 [0,0,0,0,1,0|3,0,0]=4 322 B13R1.91 OCC(=O)Nc1ccccc1OC Amb1111431 [0,0,0,0,1,0|1,0,2]=4 323 B13R1.91 OCC(Cc1ccccc1OC)N Amb17062691 [0,0,0,0,1,0|1,0,0]=2 324 B13R1.91 OCC(Oc1ccccc1CC)C Amb17233721 [0,0,0,0,1,0|2,0,0]=3 325 B13R1.91 OCC(Oc1ccccc1OC)C Amb17233898 [0,0,0,0,1,0|1,0,0]=2 326 B13R1.91 [C-]#[N+]c1ccccc1CC(O)CC Amb25221482 [0,0,0,0,1,0|2,0,1]=4 327 B15R1.85 CCC(=O)CCOc1ccccc1OC Amb17140292 [0,0,0,0,0,1|1,0,2]=4 328 B15R1.85 CCC(CCOc1ccccc1CC)O Amb17140351 [0,0,0,0,0,1|2,0,0]=3 329 B15R1.85 CCC(CCOc1ccccc1OC)O Amb17140518 [0,0,0,0,0,1|1,0,0]=2 330 B15R1.85 COc1ccccc1COCC(N)CC Amb18631138 [0,0,0,0,0,1|2,0,0]=3 331 B15R1.85 COc1ccccc1COCC(O)CN Amb23556848 [0,0,0,0,0,1|1,0,0]=2 332 B15R1.85 ClCC(=O)CCOc1ccccc1OC Amb17142490 [0,0,0,0,0,1|1,0,2]=4 333 B15R1.85 ONC(=N)CCOc1ccccc1OC Amb17240550 [0,0,0,0,0,1|2,0,1]=4 334 B12R1.121 C#Cc1ccccc1OCCO Amb25092012 [2,0,0,0,0,0|1,0,1]=4 335 B12R1.121 CCCOc1ccc[n]c1NC Amb24740317 [2,0,0,0,0,0|2,0,0]=4 336 B12R1.121 CCCOc1ccccc1C=O Amb1033069 [2,0,0,0,0,0|2,0,0]=4 337 B12R1.121 CCCOc1ccccc1CN Amb1141875 [2,0,0,0,0,0|2,0,0]=4 338 B12R1.121 CCCOc1ccccc1NC Amb18316381 [2,0,0,0,0,0|1,0,0]=3 339 B12R1.121 CCCOc1ccccc1NN Amb25751634 [2,0,0,0,0,0|2,0,0]=4 340 B12R1.121 CCCOc1ccccc1[Zn]Br Amb22897953 [2,0,0,0,0,0|2,0,0]=4 341 B12R1.121 CC\C=N\c1ccccc1OC Amb24098047 [2,0,0,0,0,0|1,0,1]=4 342 B12R1.121 COc1ccc[n]c1NCCO Amb25046084 [2,0,0,0,0,0|2,0,0]=4 343 B12R1.121 COc1ccccc1C#CCO Amb18180050 [2,0,0,0,0,0|0,0,2]=4 344 B12R1.121 COc1ccccc1CCC#C Amb18636005 [2,0,0,0,0,0|1,0,1]=4 345 B12R1.121 COc1ccccc1CCON Amb22896636 [2,0,0,0,0,0|2,0,0]=4 346 B12R1.121 COc1ccccc1NCCF Amb25855105 [2,0,0,0,0,0|2,0,0]=4 347 B12R1.121 COc1ccccc1OCC#C Amb18183490 [2,0,0,0,0,0|0,0,2]=4 348 B12R1.121 COc1ccccc1OCCN Amb20241252 [2,0,0,0,0,0|1,0,0]=3 349 B12R1.121 COc1ccccc1SCCN Amb19024665 [2,0,0,0,0,0|1,1,0]=4 350 B12R1.121 CSc1[n]cccc1OCCO Amb24105861 [2,0,0,0,0,0|1,1,0]=4 351 B12R1.121 CSc1ccccc1OCCN Amb22523348 [2,0,0,0,0,0|1,1,0]=4 352 B12R1.121 ClCCCc1ccccc1OC Amb17104531 [2,0,0,0,0,0|1,0,0]=3 353 B12R1.121 ClCCNc1ccccc1OC Amb17335806 [2,0,0,0,0,0|2,0,0]=4 354 B12R1.121 N#CCCc1ccccc1OC Amb17508974 [2,0,0,0,0,0|1,0,1]=4 355 B12R1.121 N#CCOc1ccccc1OC Amb2504984 [2,0,0,0,0,0|1,0,1]=4 356 B12R1.121 NCCNc1ccccc1OC Amb17057753 [2,0,0,0,0,0|2,0,0]=4 357 B12R1.121 NCCOc1ccccc1OC Amb1210085 [2,0,0,0,0,0|1,0,0]=3 358 B12R1.121 O=CCCc1ccccc1OC Amb17081677 [2,0,0,0,0,0|0,0,2]=4 359 B12R1.121 OCCOc1ccccc1OC Amb2209353 [2,0,0,0,0,0|0,0,0]=2 360 B12R1.121 OC\C=C\c1ccccc1OC Amb1110152 [2,0,0,0,0,0|0,0,2]=4 361 B12R1.121 SCCCc1ccccc1OC Amb17400949 [2,0,0,0,0,0|0,1,0]=3 362 B12R1.121 SCCOc1ccccc1CC Amb17233941 [2,0,0,0,0,0|1,1,0]=4 363 B12R1.121 SCCOc1ccccc1OC Amb17234095 [2,0,0,0,0,0|0,1,0]=3 364 B12R1.267 CCCCNc1ccccc1O Amb18646353 [2,0,0,0,0,0|2,0,0]=4 365 B12R1.267 CCCCOc1ccccc1N Amb1033054 [2,0,0,0,0,0|2,0,0]=4 366 B12R1.267 CNCCOc1ccccc1C Amb1222745 [2,0,0,0,0,0|2,0,0]=4 367 B12R1.267 CNCCOc1ccccc1C Amb2140560 [2,0,0,0,0,0|2,0,0]=4 368 B12R1.267 Cc1ccc[n]c1NCCCO Amb18801091 [2,0,0,0,0,0|2,0,0]=4 369 B12R1.267 Cc1ccccc1C#CCCO Amb18792226 [2,0,0,0,0,0|1,0,1]=4 370 B12R1.267 Cc1ccccc1CCCCN Amb17991254 [2,0,0,0,0,0|2,0,0]=4 371 B12R1.267 Cc1ccccc1CCCCS Amb18564154 [2,0,0,0,0,0|1,1,0]=4 372 B12R1.267 Cc1ccccc1\C=N\CCO Amb24675358 [2,0,0,0,0,0|2,0,0]=4 373 B12R1.267 ClCCCOc1ccccc1C Amb1141955 [2,0,0,0,0,0|1,0,0]=3 374 B12R1.267 ClCCCOc1ccccc1Cl Amb1135755 [2,0,0,0,0,0|2,0,0]=4 375 B12R1.267 ClCCCOc1ccccc1F Amb1131839 [2,0,0,0,0,0|2,0,0]=4 376 B12R1.267 FCCCOc1ccccc1Br Amb22008306 [2,0,0,0,0,0|2,0,0]=4 377 B12R1.267 N#CCCOc1ccccc1C Amb1635755 [2,0,0,0,0,0|1,0,1]=4 378 B12R1.267 N#CCCOc1ccccc1O Amb25735836 [2,0,0,0,0,0|1,0,1]=4 379 B12R1.267 NCCCCc1ccccc1O Amb18828230 [2,0,0,0,0,0|2,0,0]=4 380 B12R1.267 NCCCNc1ccccc1C Amb17057721 [2,0,0,0,0,0|2,0,0]=4 381 B12R1.267 NCCCNc1ccccc1O Amb25214340 [2,0,0,0,0,0|2,0,0]=4 382 B12R1.267 NCCCOc1ccccc1C Amb1136099 [2,0,0,0,0,0|1,0,0]=3 383 B12R1.267 NCCCOc1ccccc1F Amb1107911 [2,0,0,0,0,0|2,0,0]=4 384 B12R1.267 NCCCOc1ccccc1F Amb1221365 [2,0,0,0,0,0|2,0,0]=4 385 B12R1.267 NNCCOc1ccccc1C Amb2282444 [2,0,0,0,0,0|2,0,0]=4 386 B12R1.267 NNCCOc1ccccc1C Amb2370790 [2,0,0,0,0,0|2,0,0]=4 387 B12R1.267 NOCCOc1ccccc1C Amb17088288 [2,0,0,0,0,0|2,0,0]=4 388 B12R1.267 Nc1ccccc1OCCCF Amb23539407 [2,0,0,0,0,0|2,0,0]=4 389 B12R1.267 Nc1ncccc1OCCCO Amb17206812 [2,0,0,0,0,0|2,0,0]=4 390 B12R1.267 OCCCNc1cccc[n+]1O Amb17308217 [2,0,0,0,0,0|2,0,0]=4 391 B12R1.267 OCCCNc1ccccc1Br Amb17306220 [2,0,0,0,0,0|2,0,0]=4 392 B12R1.267 OCCCNc1ccccc1C Amb17306598 [2,0,0,0,0,0|1,0,0]=3 393 B12R1.267 OCCCNc1ccccc1Cl Amb17306039 [2,0,0,0,0,0|2,0,0]=4 394 B12R1.267 OCCCNc1ccccc1F Amb17306155 [2,0,0,0,0,0|2,0,0]=4 395 B12R1.267 ONCCOc1ccccc1Br Amb17088423 [2,0,0,0,0,0|2,0,0]=4 396 B12R1.267 ONCCOc1ccccc1C Amb17088414 [2,0,0,0,0,0|1,0,0]=3 397 B12R1.267 ONCCOc1ccccc1Cl Amb17088420 [2,0,0,0,0,0|2,0,0]=4 398 B12R1.267 ONCCOc1ccccc1F Amb17088417 [2,0,0,0,0,0|2,0,0]=4 399 B12R1.267 Oc1ccccc1OCCCF Amb23449023 [2,0,0,0,0,0|1,0,0]=3 400 B12R1.267 Oc1ccccc1\C=N\CCO Amb24633463 [2,0,0,0,0,0|2,0,0]=4 401 B12R1.267 SCCCOc1ccccc1Br Amb17258957 [2,0,0,0,0,0|1,1,0]=4 402 B12R1.267 SCCCOc1ccccc1C Amb17233940 [2,0,0,0,0,0|0,1,0]=3 403 B12R1.267 SCCCOc1ccccc1Cl Amb17237588 [2,0,0,0,0,0|1,1,0]=4 404 B12R1.267 SCCCOc1ccccc1F Amb17234296 [2,0,0,0,0,0|1,1,0]=4 405 B12R1.125 CC(=O)COc1ccccc1O Amb18646466 [2,0,0,0,0,0|0,0,2]=4 406 B12R1.125 CC(C)CNc1ccccc1O Amb25739989 [2,0,0,0,0,0|2,0,0]=4 407 B12R1.125 CC(C)COc1ccccc1Cl Amb24632680 [2,0,0,0,0,0|2,0,0]=4 408 B12R1.125 CC(C)COc1ccccc1F Amb25078524 [2,0,0,0,0,0|2,0,0]=4 409 B12R1.125 CC(C)COc1ccccc1I Amb25148597 [2,0,0,0,0,0|2,0,0]=4 410 B12R1.125 CC(C)COc1ccccc1S Amb25844615 [2,0,0,0,0,0|1,1,0]=4 411 B12R1.125 CC(C)CSc1ccccc1O Amb18318224 [2,0,0,0,0,0|1,1,0]=4 412 B12R1.125 CC(CCc1ccccc1O)N Amb17507315 [2,0,0,0,0,0|2,0,0]=4 413 B12R1.125 CC(CCc1ccccc1O)O Amb17507249 [2,0,0,0,0,0|1,0,0]=3 414 B12R1.125 CC(CNc1ccccc1Br)O Amb17142610 [2,0,0,0,0,0|2,0,0]=4 415 B12R1.125 CC(CNc1ccccc1C)O Amb17138592 [2,0,0,0,0,0|1,0,0]=3 416 B12R1.125 CC(CNc1ccccc1Cl)O Amb17139125 [2,0,0,0,0,0|2,0,0]=4 417 B12R1.125 CC(CNc1ccccc1F)O Amb17138650 [2,0,0,0,0,0|2,0,0]=4 418 B12R1.125 CC(COc1ccccc1Br)N Amb17062516 [2,0,0,0,0,0|2,0,0]=4 419 B12R1.125 CC(COc1ccccc1C)N Amb1124829 [2,0,0,0,0,0|1,0,0]=3 420 B12R1.125 CC(COc1ccccc1F)N Amb1134402 [2,0,0,0,0,0|2,0,0]=4 421 B12R1.125 CC(COc1ccccc1N)C Amb1137660 [2,0,0,0,0,0|2,0,0]=4 422 B12R1.125 CC(COc1ccccc1N)C Amb2140563 [2,0,0,0,0,0|2,0,0]=4 423 B12R1.125 CC(COc1ccccc1O)C Amb1016836 [2,0,0,0,0,0|1,0,0]=3 424 B12R1.125 CC(Cl)COc1ccccc1Cl Amb25785226 [2,0,0,0,0,0|2,0,0]=4 425 B12R1.125 CC(Cl)COc1ccccc1F Amb24355402 [2,0,0,0,0,0|2,0,0]=4 426 B12R1.125 CC(F)COc1ccccc1N Amb25208077 [2,0,0,0,0,0|2,0,0]=4 427 B12R1.125 CC(N)COc1ccccc1I Amb25095421 [2,0,0,0,0,0|2,0,0]=4 428 B12R1.125 CC(N)CSc1ccccc1O Amb25816545 [2,0,0,0,0,0|1,1,0]=4 429 B12R1.125 CC(O)CCc1ccccc1Br Amb25763352 [2,0,0,0,0,0|2,0,0]=4 430 B12R1.125 CC(O)CCc1ccccc1Cl Amb19075162 [2,0,0,0,0,0|2,0,0]=4 431 B12R1.125 CC(O)CCc1ccccc1F Amb18805845 [2,0,0,0,0,0|2,0,0]=4 432 B12R1.125 CC(O)CCc1ccccc1N Amb24485690 [2,0,0,0,0,0|2,0,0]=4 433 B12R1.125 CC(O)CNc1ccccc1O Amb18646739 [2,0,0,0,0,0|1,0,0]=3 434 B12R1.125 CC(O)COc1ccc[n]c1N Amb25854752 [2,0,0,0,0,0|2,0,0]=4 435 B12R1.125 CC(O)COc1cccc[n+]1[O-] Amb25097547 [2,0,0,0,0,0|1,0,1]=4 436 B12R1.125 CC(O)COc1ccccc1Cl Amb25337460 [2,0,0,0,0,0|1,0,0]=3 437 B12R1.125 CC(O)COc1ccccc1F Amb18806458 [2,0,0,0,0,0|1,0,0]=3 438 B12R1.125 CC(O)COc1ccccc1N Amb18971553 [2,0,0,0,0,0|1,0,0]=3 439 B12R1.125 CC(O)COc1ccccc1O Amb18646901 [2,0,0,0,0,0|0,0,0]=2 440 B12R1.125 CC(O)CSc1[n]cccc1O Amb18649167 [2,0,0,0,0,0|1,1,0]=4 441 B12R1.125 CC(O)CSc1ccccc1F Amb19058401 [2,0,0,0,0,0|1,1,0]=4 442 B12R1.125 CC(O)CSc1ccccc1N Amb18969617 [2,0,0,0,0,0|1,1,0]=4 443 B12R1.125 CC(O)CSc1ccccc1O Amb19045466 [2,0,0,0,0,0|0,1,0]=3 444 B12R1.125 C[C@@H](COc1ccccc1Br)N Amb17248850 [2,0,0,0,0,0|2,0,0]=4 445 B12R1.125 C[C@@H](COc1ccccc1C)N Amb17232557 [2,0,0,0,0,0|1,0,0]=3 446 B12R1.125 C[C@@H](COc1ccccc1Cl)N Amb17234270 [2,0,0,0,0,0|2,0,0]=4 447 B12R1.125 C[C@@H](COc1ccccc1F)N Amb17232706 [2,0,0,0,0,0|2,0,0]=4 448 B12R1.125 C[C@@H](N)COc1ccccc1Br Amb18036081 [2,0,0,0,0,0|2,0,0]=4 449 B12R1.125 C[C@@H](N)COc1ccccc1Cl Amb18538518 [2,0,0,0,0,0|2,0,0]=4 450 B12R1.125 C[C@@H](N)COc1ccccc1F Amb18538499 [2,0,0,0,0,0|2,0,0]=4 451 B12R1.125 C[C@@H](O)COc1ccccc1O Amb24689528 [2,0,0,0,0,0|0,0,0]=2 452 B12R1.125 C[C@@H](O)CSc1ccccc1Br Amb24725913 [2,0,0,0,0,0|1,1,0]=4 453 B12R1.125 C[C@@H](O)CSc1ccccc1Cl Amb25831408 [2,0,0,0,0,0|1,1,0]=4 454 B12R1.125 C[C@H](N)CCc1ccccc1O Amb25149919 [2,0,0,0,0,0|2,0,0]=4 455 B12R1.125 C[C@H](O)COc1ccccc1F Amb25784865 [2,0,0,0,0,0|1,0,0]=3 456 B12R1.125 C[C@H](O)CSc1ccccc1Br Amb24497740 [2,0,0,0,0,0|1,1,0]=4 457 B12R1.125 C[C@H](O)CSc1ccccc1F Amb25073686 [2,0,0,0,0,0|1,1,0]=4 458 B12R1.125 Cc1[n]cccc1OCC(C)C Amb25154513 [2,0,0,0,0,0|2,0,0]=4 459 B12R1.125 Cc1[n]cccc1OC[C@@H](C)O Amb24411996 [2,0,0,0,0,0|1,0,0]=3 460 B12R1.125 Cc1c[n]ccc1NC[C@@H](C)O Amb25188212 [2,0,0,0,0,0|2,0,0]=4 461 B12R1.125 Cc1c[n]ccc1NC[C@H](C)O Amb25115834 [2,0,0,0,0,0|2,0,0]=4 462 B12R1.125 Cc1ccc[n]c1NCC(C)O Amb18296068 [2,0,0,0,0,0|2,0,0]=4 463 B12R1.125 Cc1ccc[n]c1SCC(C)O Amb25037300 [2,0,0,0,0,0|1,1,0]=4 464 B12R1.125 Cc1ccccc1C#C[C@H](C)O Amb25077975 [2,0,0,0,0,0|1,0,1]=4 465 B12R1.125 Cc1ccccc1CCC(C)Cl Amb19074258 [2,0,0,0,0,0|2,0,0]=4 466 B12R1.125 Cc1ccccc1CCC(C)O Amb18800836 [2,0,0,0,0,0|1,0,0]=3 467 B12R1.125 Cc1ccccc1NC[C@H](C)O Amb25096984 [2,0,0,0,0,0|1,0,0]=3 468 B12R1.125 Cc1ccccc1OCC(C)C Amb24590121 [2,0,0,0,0,0|1,0,0]=3 469 B12R1.125 Cc1ccccc1OCC(C)Cl Amb25189523 [2,0,0,0,0,0|1,0,0]=3 470 B12R1.125 Cc1ccccc1OCC(C)O Amb18182639 [2,0,0,0,0,0|0,0,0]=2 471 B12R1.125 Cc1ccccc1OCC(F)F Amb24386309 [2,0,0,0,0,0|2,0,0]=4 472 B12R1.125 Cc1ccccc1OCC(O)O Amb24420845 [2,0,0,0,0,0|0,0,0]=2 473 B12R1.125 Cc1ccccc1OC[C@@H](C)N Amb18538491 [2,0,0,0,0,0|1,0,0]=3 474 B12R1.125 Cc1ccccc1OC[C@H](C)O Amb25068670 [2,0,0,0,0,0|0,0,0]=2 475 B12R1.125 Cc1ccccc1SCC(C)C Amb25730826 [2,0,0,0,0,0|1,1,0]=4 476 B12R1.125 Cc1ccccc1SCC(C)O Amb19054504 [2,0,0,0,0,0|0,1,0]=3 477 B12R1.125 OC(=O)COc1ccccc1C Amb1215022 [2,0,0,0,0,0|0,0,2]=4 478 B12R1.125 OC(=O)COc1ccccc1O Amb1030005 [2,0,0,0,0,0|0,0,2]=4 479 B12R1.125 Oc1ccccc1OCC(F)F Amb18795191 [2,0,0,0,0,0|2,0,0]=4 480 B12R1.27 C#CC(O)COc1ccccc1 Amb25686511 [2,0,0,0,0,0|1,0,1]=4 481 B12R1.27 C#C[C@@H](O)COc1ccccc1 Amb25205027 [2,0,0,0,0,0|1,0,1]=4 482 B12R1.27 CCC(CCc1ccccc1)O Amb17138574 [2,0,0,0,0,0|2,0,0]=4 483 B12R1.27 CCC(CNc1ccccc1)O Amb13952005 [2,0,0,0,0,0|2,0,0]=4 484 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [2,0,0,0,0,0|2,0,0]=4 485 B12R1.27 ClCC(CNc1ccccc1)O Amb10565986 [2,0,0,0,0,0|2,0,0]=4 486 B12R1.27 N#C[C@@H](O)COc1ccccc1 Amb24474239 [2,0,0,0,0,0|1,0,1]=4 487 B12R1.27 NC(CO)CNc1ccccc1 Amb25674165 [2,0,0,0,0,0|2,0,0]=4 488 B12R1.27 NC(CO)COc1ccccc1 Amb18563798 [2,0,0,0,0,0|1,0,0]=3 489 B12R1.27 NCC(CNc1ccccc1)O Amb17138613 [2,0,0,0,0,0|2,0,0]=4 490 B12R1.27 NCC(COc1ccccc1)O Amb1139174 [2,0,0,0,0,0|1,0,0]=3 491 B12R1.27 NC[C@@H](O)COc1ccccc1 Amb22747719 [2,0,0,0,0,0|1,0,0]=3 492 B12R1.27 OCC(=O)COc1ccccc1 Amb18563713 [2,0,0,0,0,0|0,0,2]=4 493 B12R1.27 OCC(CNc1ccccc1)O Amb17307124 [2,0,0,0,0,0|1,0,0]=3 494 B12R1.27 OCC(COc1ccccc1)C Amb17232599 [2,0,0,0,0,0|1,0,0]=3 495 B12R1.27 OCC(CSc1ccccc1)Cl Amb10553704 [2,0,0,0,0,0|1,1,0]=4 496 B12R1.27 OCC(O)CSc1cccc[n]1 Amb21978181 [2,0,0,0,0,0|1,1,0]=4 497 B12R1.27 OCC(O)\C=C\c1ccccc1 Amb24496400 [2,0,0,0,0,0|1,0,1]=4 498 B12R1.27 OC[C@@H](COc1ccccc1)O Amb10982588 [2,0,0,0,0,0|0,0,0]=2 499 B12R1.27 OC[C@@H](O)CNc1ccccc1 Amb18792912 [2,0,0,0,0,0|1,0,0]=3 500 B12R1.27 OC[C@@H](O)\C=C\c1ccccc1 Amb24371109 [2,0,0,0,0,0|1,0,1]=4 501 B12R1.27 O[C@H](CCl)CNc1ccccc1 Amb24426200 [2,0,0,0,0,0|2,0,0]=4 502 B14R1.96 COc1ccccc1C#CCC(C)O Amb24751551 [1,1,0,0,0,0|1,0,1]=4 503 B14R1.96 COc1ccccc1NCCC(=O)O Amb1107141 [1,1,0,0,0,0|1,0,1]=4 504 B14R1.96 COc1ccccc1OCCC(=O)O Amb1203517 [1,1,0,0,0,0|0,0,1]=3 505 B14R1.461 CNCCOc1ccc(cc1OC)Br Amb17100015 [1,1,0,0,0,0|2,0,0]=4 506 B14R1.461 CNCCOc1ccc(cc1OC)C Amb2150775 [1,1,0,0,0,0|2,0,0]=4 507 B14R1.461 COc1cc(Br)c[n]c1OCCCC Amb22276715 [1,1,0,0,0,0|2,0,0]=4 508 B14R1.461 COc1cc(F)ccc1C#CCCO Amb25058346 [1,1,0,0,0,0|1,0,1]=4 509 B14R1.461 COc1cc(N)ccc1OCCCC Amb19052417 [1,1,0,0,0,0|1,0,0]=3 510 B14R1.461 O=CCCOc1ccc(cc1OC)Br Amb17100002 [1,1,0,0,0,0|0,0,2]=4 511 B14R1.476 BrCCCCOc1ccccc1OC Amb2231591 [1,1,0,0,0,0|1,0,0]=3 512 B14R1.476 CCCCNCc1ccccc1OC Amb20673533 [1,1,0,0,0,0|2,0,0]=4 513 B14R1.476 CCNCCNc1ccccc1OC Amb20214987 [1,1,0,0,0,0|2,0,0]=4 514 B14R1.476 CCNCCOc1ccccc1CC Amb22588093 [1,1,0,0,0,0|2,0,0]=4 515 B14R1.476 CCOCCOc1ccccc1NC Amb20138965 [1,1,0,0,0,0|2,0,0]=4 516 B14R1.476 COCCCNc1ccccc1CC Amb17235710 [1,1,0,0,0,0|2,0,0]=4 517 B14R1.476 COCCCNc1ccccc1OC Amb17236214 [1,1,0,0,0,0|1,0,0]=3 518 B14R1.476 COCCNCc1ccccc1OC Amb13949023 [1,1,0,0,0,0|2,0,0]=4 519 B14R1.476 COCCNCc1ccccc1OC Amb1835726 [1,1,0,0,0,0|2,0,0]=4 520 B14R1.476 COc1ccccc1C#CCCCO Amb25144948 [1,1,0,0,0,0|1,0,0]=3 521 B14R1.476 COc1ccccc1CCCCC=O Amb18050050 [1,1,0,0,0,0|1,0,1]=4 522 B14R1.476 COc1ccccc1COCCCCl Amb20621485 [1,1,0,0,0,0|1,0,0]=3 523 B14R1.476 COc1ccccc1OCCCNC Amb22588110 [1,1,0,0,0,0|1,0,0]=3 524 B14R1.476 ICCCOCc1ccccc1OC Amb10604691 [1,1,0,0,0,0|1,0,0]=3 525 B14R1.476 NCCCNCc1ccccc1OC Amb17315284 [1,1,0,0,0,0|2,0,0]=4 526 B14R1.476 NCCNCCc1ccccc1OC Amb17091034 [1,1,0,0,0,0|2,0,0]=4 527 B14R1.476 NNCCCOc1ccccc1CC Amb17401953 [1,1,0,0,0,0|2,0,0]=4 528 B14R1.476 NNCCCOc1ccccc1OC Amb17402115 [1,1,0,0,0,0|1,0,0]=3 529 B14R1.476 NOCCCOc1ccccc1CC Amb17088366 [1,1,0,0,0,0|1,0,0]=3 530 B14R1.476 NOCCCOc1ccccc1OC Amb17088363 [1,1,0,0,0,0|0,0,0]=2 531 B14R1.476 OCCCCNc1ccccc1CC Amb17336708 [1,1,0,0,0,0|2,0,0]=4 532 B14R1.476 OCCCCNc1ccccc1OC Amb17336990 [1,1,0,0,0,0|1,0,0]=3 533 B14R1.476 OCCCOCc1ccccc1OC Amb10604692 [1,1,0,0,0,0|0,0,0]=2 534 B14R1.476 OCCNCCc1ccccc1OC Amb17402027 [1,1,0,0,0,0|1,0,0]=3 535 B14R1.476 ONCCCOc1ccccc1CC Amb17088492 [1,1,0,0,0,0|1,0,0]=3 536 B14R1.476 ONCCCOc1ccccc1OC Amb17088489 [1,1,0,0,0,0|0,0,0]=2 537 B14R1.476 SCCCCOc1ccccc1CC Amb17240681 [1,1,0,0,0,0|1,1,0]=4 538 B14R1.476 SCCCCOc1ccccc1OC Amb10814516 [1,1,0,0,0,0|0,1,0]=3 539 B14R1.883 COCCOc1cc(Br)ccc1OC Amb22229665 [1,1,0,0,0,0|2,0,0]=4 540 B14R1.883 COc1[n]cc(Br)cc1OCCCC Amb24083354 [1,1,0,0,0,0|2,0,0]=4 541 B14R1.883 COc1ccc(Br)cc1OCCC#C Amb22504213 [1,1,0,0,0,0|1,0,1]=4 542 B14R1.883 COc1ccc(Br)cc1OCCC=C Amb22504215 [1,1,0,0,0,0|1,0,1]=4 543 B14R1.883 COc1ccc(Cl)cc1C#CCCO Amb25766688 [1,1,0,0,0,0|1,0,1]=4 544 B14R1.883 COc1ccc(F)cc1C#CCCO Amb18321204 [1,1,0,0,0,0|1,0,1]=4 545 B14R1.883 COc1ccc(F)cc1NCCCO Amb18933504 [1,1,0,0,0,0|1,0,0]=3 546 B14R1.883 COc1ccc(F)cc1OCCCC Amb20620615 [1,1,0,0,0,0|1,0,0]=3 547 B14R1.883 COc1ccc(cc1CNCCO)Cl Amb1929138 [1,1,0,0,0,0|2,0,0]=4 548 B14R1.883 COc1ccc(cc1NCCCO)Cl Amb17306849 [1,1,0,0,0,0|1,0,0]=3 549 B14R1.883 Cc1ccc(OC)c(c1)C#CCCO Amb19060915 [1,1,0,0,0,0|1,0,1]=4 550 B14R1.903 CCCCOc1ccccc1C(N)C Amb1138731 [1,1,0,0,0,0|2,0,0]=4 551 B14R1.903 CN(C)c1ccccc1NCCCO Amb18270492 [1,1,0,0,0,0|2,0,0]=4 552 B14R1.904 CCCCOc1ccccc1CCO Amb17595113 [1,1,0,0,0,0|2,0,0]=4 553 B14R1.904 CCCCOc1ccccc1NCC Amb19965872 [1,1,0,0,0,0|2,0,0]=4 554 B14R1.904 CCOc1[n]cccc1OCCCC Amb19959458 [1,1,0,0,0,0|2,0,0]=4 555 B14R1.904 CCOc1ccc[n]c1OCCCC Amb24104090 [1,1,0,0,0,0|2,0,0]=4 556 B14R1.904 CCOc1ccccc1C#CCCO Amb19060912 [1,1,0,0,0,0|1,0,1]=4 557 B14R1.904 CCOc1ccccc1CNCCO Amb22588099 [1,1,0,0,0,0|2,0,0]=4 558 B14R1.904 COCc1ccccc1C#CCCO Amb19060920 [1,1,0,0,0,0|1,0,1]=4 559 B14R1.904 ClCCCOc1ccccc1OCC Amb1125699 [1,1,0,0,0,0|1,0,0]=3 560 B14R1.904 NCCCOc1ccccc1OCC Amb1108814 [1,1,0,0,0,0|1,0,0]=3 561 B14R1.904 NNCCOc1ccccc1OCC Amb17402118 [1,1,0,0,0,0|2,0,0]=4 562 B14R1.904 NOCCOc1ccccc1OCC Amb17088312 [1,1,0,0,0,0|2,0,0]=4 563 B14R1.904 OCCCNc1ccccc1OCC Amb17306390 [1,1,0,0,0,0|1,0,0]=3 564 B14R1.904 ONCCOc1ccccc1OCC Amb17088438 [1,1,0,0,0,0|1,0,0]=3 565 B14R1.904 SCCCOc1ccccc1OCC Amb17241206 [1,1,0,0,0,0|0,1,0]=3 566 B14R1.965 CCCC(Br)Cc1ccccc1OC Amb18548974 [1,1,0,0,0,0|2,0,0]=4 567 B14R1.965 COc1ccccc1OC(C)CNC Amb19080805 [1,1,0,0,0,0|2,0,0]=4 568 B14R1.965 N#CCC(Oc1ccccc1OC)C Amb17235075 [1,1,0,0,0,0|1,0,1]=4 569 B14R1.965 NCCC(Cc1ccccc1OC)C Amb17235720 [1,1,0,0,0,0|2,0,0]=4 570 B14R1.965 OCCN(Cc1ccccc1OC)C Amb17337004 [1,1,0,0,0,0|2,0,0]=4 571 B14R1.3381 COc1cccc(Cl)c1C#CCCO Amb25031375 [1,1,0,0,0,0|1,0,1]=4 572 B14R1.3619 Cc1cccc(CNCCO)c1OC Amb23539706 [1,1,0,0,0,0|2,0,0]=4 573 B14R1.93 CC(C)(O)COc1ccccc1C#N Amb19050112 [1,1,0,0,0,0|2,0,0]=4 574 B14R1.93 CC(C)(O)COc1ccccc1CN Amb18304086 [1,1,0,0,0,0|2,0,0]=4 575 B14R1.93 CCc1ccccc1NCC(O)(C)C Amb17139432 [1,1,0,0,0,0|2,0,0]=4 576 B14R1.93 CCc1ccccc1OCC(N)(C)C Amb17074748 [1,1,0,0,0,0|2,0,0]=4 577 B14R1.93 COc1ccc[n]c1NCC(C)(C)O Amb25098090 [1,1,0,0,0,0|2,0,0]=4 578 B14R1.93 COc1ccccc1C#CC(C)(C)O Amb24683653 [1,1,0,0,0,0|1,0,1]=4 579 B14R1.93 COc1ccccc1CCC(N)(C)C Amb17336714 [1,1,0,0,0,0|2,0,0]=4 580 B14R1.93 COc1ccccc1CCC(O)(C)C Amb17336854 [1,1,0,0,0,0|1,0,0]=3 581 B14R1.93 COc1ccccc1NCC(C)(C)C Amb17235700 [1,1,0,0,0,0|2,0,0]=4 582 B14R1.93 COc1ccccc1NCC(O)(C)C Amb17139571 [1,1,0,0,0,0|1,0,0]=3 583 B14R1.93 COc1ccccc1OCC(N)(C)C Amb17074745 [1,1,0,0,0,0|1,0,0]=3 584 B14R1.93 CSc1ccccc1NCC(C)(C)O Amb25256893 [1,1,0,0,0,0|1,1,0]=4 585 B14R1.118 COc1c(Cl)cccc1NCC(C)C Amb25666724 [1,1,0,0,0,0|2,0,0]=4 586 B14R1.118 COc1c(F)cccc1NCC(C)C Amb24685091 [1,1,0,0,0,0|2,0,0]=4 587 B14R1.118 C[C@@H](O)COc1cccc(Cl)c1C#N Amb25821748 [1,1,0,0,0,0|2,0,0]=4 588 B14R1.118 C[C@@H](O)COc1cccc(F)c1C#N Amb24751603 [1,1,0,0,0,0|2,0,0]=4 589 B14R1.482 CCNc1ccccc1OCC(C)C Amb19051198 [1,1,0,0,0,0|2,0,0]=4 590 B14R1.482 CCOc1[n]cccc1OCC(C)C Amb19959793 [1,1,0,0,0,0|2,0,0]=4 591 B14R1.482 CCOc1ccccc1OCC(=O)O Amb1102813 [1,1,0,0,0,0|0,0,2]=4 592 B14R1.482 CCOc1ccccc1OCC(N)C Amb1128247 [1,1,0,0,0,0|1,0,0]=3 593 B14R1.482 CCOc1ccccc1OC[C@@H](C)N Amb18538559 [1,1,0,0,0,0|1,0,0]=3 594 B14R1.482 CNCc1ccccc1OCC(C)C Amb22588091 [1,1,0,0,0,0|2,0,0]=4 595 B14R1.840 COc1ccccc1C(=O)CC(C)C Amb17139355 [1,1,0,0,0,0|2,0,0]=4 596 B14R1.840 COc1ccccc1C(CC(C)C)N Amb17139414 [1,1,0,0,0,0|2,0,0]=4 597 B14R1.840 COc1ccccc1C(CC(C)C)O Amb17139482 [1,1,0,0,0,0|2,0,0]=4 598 B14R1.840 COc1ccccc1N(CC(N)C)C Amb17059707 [1,1,0,0,0,0|2,0,0]=4 599 B14R1.840 COc1ccccc1N(CC(O)C)C Amb17337007 [1,1,0,0,0,0|1,0,0]=3 600 B14R1.840 C\C(=C/C(C)O)\c1ccccc1OC Amb24572910 [1,1,0,0,0,0|1,0,1]=4 601 B14R1.1600 CCc1cc(Br)ccc1NC[C@@H](C)O Amb25310890 [1,1,0,0,0,0|2,0,0]=4 602 B14R1.1600 CCc1cc(Br)ccc1NC[C@H](C)O Amb24337348 [1,1,0,0,0,0|2,0,0]=4 603 B14R1.1600 COc1cc(Cl)ccc1NCC(C)C Amb24378241 [1,1,0,0,0,0|2,0,0]=4 604 B14R1.1600 COc1cc(F)ccc1NCC(C)C Amb19054301 [1,1,0,0,0,0|2,0,0]=4 605 B14R1.1600 COc1cc(F)ccc1NCC(C)O Amb19017724 [1,1,0,0,0,0|1,0,0]=3 606 B14R1.1600 COc1cc(F)ccc1NC[C@H](C)O Amb24722189 [1,1,0,0,0,0|1,0,0]=3 607 B14R1.1600 COc1cc(F)ccc1OCC(C)=O Amb17836107 [1,1,0,0,0,0|0,0,2]=4 608 B14R1.1600 COc1cc(N)ccc1OCC(F)F Amb20619569 [1,1,0,0,0,0|2,0,0]=4 609 B14R1.1600 COc1cc(N)ccc1OCC(F)F Amb22279454 [1,1,0,0,0,0|2,0,0]=4 610 B14R1.1600 Cc1ccc(NCC(C)C)c(c1)OC Amb19051206 [1,1,0,0,0,0|2,0,0]=4 611 B14R1.1600 Cc1ccc(OC[C@@H](C)N)c(c1)OC Amb18538562 [1,1,0,0,0,0|1,0,0]=3 612 B14R1.1865 CC(O)COc1cc(Cl)ccc1C#N Amb25834996 [1,1,0,0,0,0|2,0,0]=4 613 B14R1.1865 COc1ccc(Br)cc1CCC(C)N Amb18228429 [1,1,0,0,0,0|2,0,0]=4 614 B14R1.1865 COc1ccc(Br)cc1NCC(C)C Amb25797841 [1,1,0,0,0,0|2,0,0]=4 615 B14R1.1865 COc1ccc(Br)cc1NCC(C)O Amb24390662 [1,1,0,0,0,0|1,0,0]=3 616 B14R1.1865 COc1ccc(Br)cc1NC[C@H](C)O Amb25190901 [1,1,0,0,0,0|1,0,0]=3 617 B14R1.1865 COc1ccc(Br)cc1\C=C\C(C)O Amb24530660 [1,1,0,0,0,0|1,0,1]=4 618 B14R1.1865 COc1ccc(Cl)cc1C#CC(C)O Amb25308057 [1,1,0,0,0,0|1,0,1]=4 619 B14R1.1865 COc1ccc(Cl)cc1SCC(C)N Amb18070624 [1,1,0,0,0,0|1,1,0]=4 620 B14R1.1865 COc1ccc(Cl)cc1\C=C\C(C)O Amb25283023 [1,1,0,0,0,0|1,0,1]=4 621 B14R1.1865 COc1ccc(F)cc1C#CC(C)O Amb25665417 [1,1,0,0,0,0|1,0,1]=4 622 B14R1.1865 COc1ccc(F)cc1CCC(C)N Amb18812294 [1,1,0,0,0,0|2,0,0]=4 623 B14R1.1865 COc1ccc(F)cc1NCC(C)O Amb18933525 [1,1,0,0,0,0|1,0,0]=3 624 B14R1.1865 COc1ccc(F)cc1\C=C\C(C)O Amb25279979 [1,1,0,0,0,0|1,0,1]=4 625 B14R1.1865 COc1ccc(I)cc1OCC(O)=O Amb23569030 [1,1,0,0,0,0|0,0,2]=4 626 B14R1.1865 COc1ccc(N)cc1OCC(F)F Amb20619503 [1,1,0,0,0,0|2,0,0]=4 627 B14R1.1865 COc1ccc(cc1NCC(O)C)C Amb17139570 [1,1,0,0,0,0|1,0,0]=3 628 B14R1.1865 COc1ccc(cc1NCC(O)C)Cl Amb17140949 [1,1,0,0,0,0|1,0,0]=3 629 B14R1.1865 C[C@H](O)COc1cc(Br)ccc1C#N Amb25044809 [1,1,0,0,0,0|2,0,0]=4 630 B14R1.1865 C[C@H](O)COc1cc(Cl)ccc1C#N Amb25122534 [1,1,0,0,0,0|2,0,0]=4 631 B14R1.1865 Cc1cc(NC[C@H](C)O)c(c[n]1)OC Amb25298046 [1,1,0,0,0,0|2,0,0]=4 632 B14R1.1865 Cc1cc(\C=C\C(C)O)c(cc1)OC Amb24593245 [1,1,0,0,0,0|1,0,1]=4 633 B14R1.1865 Cc1ccc(OC)c(c1)NC[C@@H](C)O Amb24437892 [1,1,0,0,0,0|1,0,0]=3 634 B14R1.1865 Cc1ccc(OC)c(c1)SCC(C)N Amb18569354 [1,1,0,0,0,0|1,1,0]=4 635 B14R1.2172 CCc1cccc(c1NCC(O)C)C Amb17139418 [1,1,0,0,0,0|2,0,0]=4 636 B14R1.2172 COc1cccc(F)c1OCC(O)=O Amb24100460 [1,1,0,0,0,0|0,0,2]=4 637 B14R1.3135 CC(C)C(Br)Cc1ccccc1OC Amb18049524 [1,1,0,0,0,0|2,0,0]=4 638 B14R1.3135 CC(C)C(N)Cc1ccccc1OC Amb19009247 [1,1,0,0,0,0|2,0,0]=4 639 B14R1.3135 CC(Nc1ccccc1OC)C(C)O Amb25111118 [1,1,0,0,0,0|1,0,0]=3 640 B14R1.3135 CC(Oc1ccccc1C#N)C(C)O Amb25074266 [1,1,0,0,0,0|2,0,0]=4 641 B14R1.3135 COc1ccccc1NC(=O)C(O)C Amb11209042 [1,1,0,0,0,0|1,0,1]=4 642 B14R1.3135 COc1ccccc1OC(=O)C(N)C Amb17336946 [1,1,0,0,0,0|1,0,1]=4 643 B14R1.3135 C\C(=C\c1ccccc1OC)\C(C)O Amb24746237 [1,1,0,0,0,0|1,0,1]=4 644 B14R1.4522 CC(C)c1ccccc1OC[C@@H](C)N Amb18538545 [1,1,0,0,0,0|2,0,0]=4 645 B14R1.4522 CC(CNc1ccccc1C(C)C)O Amb17139419 [1,1,0,0,0,0|2,0,0]=4 646 B14R1.4522 CC(COc1ccccc1C(C)C)N Amb1128580 [1,1,0,0,0,0|2,0,0]=4 647 B14R1.4522 CC(COc1ccccc1C(N)C)C Amb1136748 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.4522 CC(O)CNc1ccccc1N(C)C Amb18933529 [1,1,0,0,0,0|2,0,0]=4 649 B14R1.4522 C[C@H](O)CNc1ccccc1N(C)C Amb25748880 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.15 CC(CO)COc1cccc(c1Cl)Cl Amb17251984 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.15 CCC(O)CNc1cccc(C)c1C Amb19051166 [1,1,0,0,0,0|2,0,0]=4 652 B14R1.15 CN1C(=O)C=CC=C1NCC(O)CO Amb25666781 [1,1,0,0,0,0|2,0,0]=4 653 B14R1.15 Cc1c(Cl)cccc1NCC(O)CC Amb25760451 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.15 Cc1c(Cl)cccc1NC[C@H](O)CO Amb25360677 [1,1,0,0,0,0|1,0,0]=3 655 B14R1.15 Cc1c(F)cccc1NCC(O)CC Amb19020290 [1,1,0,0,0,0|2,0,0]=4 656 B14R1.15 Cc1c(F)cccc1NCC(O)CO Amb19020291 [1,1,0,0,0,0|1,0,0]=3 657 B14R1.15 Cc1c(F)cccc1NC[C@H](O)CC Amb25206033 [1,1,0,0,0,0|2,0,0]=4 658 B14R1.15 Cc1c(I)cccc1NCC(O)CC Amb24507935 [1,1,0,0,0,0|2,0,0]=4 659 B14R1.15 Cc1c(I)cccc1NCC(O)CO Amb25322352 [1,1,0,0,0,0|1,0,0]=3 660 B14R1.15 Cc1c(I)cccc1NC[C@H](O)CC Amb25170447 [1,1,0,0,0,0|2,0,0]=4 661 B14R1.15 Cc1c(N)cccc1NCC(O)CC Amb24499838 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.15 Cc1c(N)cccc1NCC(O)CO Amb24707406 [1,1,0,0,0,0|1,0,0]=3 663 B14R1.15 Cc1c(NCC(CN)O)cccc1C Amb17139520 [1,1,0,0,0,0|2,0,0]=4 664 B14R1.15 Cc1c(NCC(CN)O)cccc1Cl Amb17140906 [1,1,0,0,0,0|2,0,0]=4 665 B14R1.15 Cc1c(NCC(CO)O)cccc1C Amb17336984 [1,1,0,0,0,0|1,0,0]=3 666 B14R1.15 Cc1c(NCC(CO)O)cccc1Cl Amb17340464 [1,1,0,0,0,0|1,0,0]=3 667 B14R1.15 Cc1c(OCC(CN)O)cccc1C Amb1134615 [1,1,0,0,0,0|1,0,0]=3 668 B14R1.15 Cc1c(cccc1Br)NCC(C)CO Amb25321700 [1,1,0,0,0,0|2,0,0]=4 669 B14R1.15 Cc1c(cccc1Br)NCC(O)CF Amb24565208 [1,1,0,0,0,0|2,0,0]=4 670 B14R1.15 Cc1c(cccc1F)NCC(O)CF Amb24583466 [1,1,0,0,0,0|2,0,0]=4 671 B14R1.15 Cc1c(cccc1I)NCC(C)CO Amb25191164 [1,1,0,0,0,0|2,0,0]=4 672 B14R1.15 Cc1c(cccc1I)NCC(O)CF Amb24551446 [1,1,0,0,0,0|2,0,0]=4 673 B14R1.15 Cc1cccc(CCC(O)CN)c1C Amb18565422 [1,1,0,0,0,0|2,0,0]=4 674 B14R1.15 Cc1cccc(NCC(O)CF)c1C Amb24709210 [1,1,0,0,0,0|2,0,0]=4 675 B14R1.15 Cc1cccc(NCC(O)CO)c1F Amb24370374 [1,1,0,0,0,0|2,0,0]=4 676 B14R1.15 Cc1cccc(NCC(O)CO)c1N Amb25272451 [1,1,0,0,0,0|2,0,0]=4 677 B14R1.15 Cc1cccc(NC[C@H](O)CO)c1C Amb25210358 [1,1,0,0,0,0|1,0,0]=3 678 B14R1.15 Cc1cccc(NC[C@H](O)CO)c1Cl Amb24534991 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.15 Cc1cccc(NC[C@H](O)CO)c1F Amb25737192 [1,1,0,0,0,0|2,0,0]=4 680 B14R1.15 Cc1cccc(OCC(=O)CO)c1C Amb18565502 [1,1,0,0,0,0|0,0,2]=4 681 B14R1.15 Cc1cccc(OCC(N)CO)c1C Amb18565769 [1,1,0,0,0,0|1,0,0]=3 682 B14R1.15 NC(CO)COc1cccc(Cl)c1Cl Amb18070962 [1,1,0,0,0,0|2,0,0]=4 683 B14R1.15 Nc1c(Br)cccc1NCC(O)CO Amb25819415 [1,1,0,0,0,0|2,0,0]=4 684 B14R1.15 Nc1c(F)cccc1NCC(O)CO Amb24468567 [1,1,0,0,0,0|2,0,0]=4 685 B14R1.15 OC(CO)CNc1cccc(c1Cl)Cl Amb17346786 [1,1,0,0,0,0|2,0,0]=4 686 B14R1.15 OCC(COc1cccc(c1C)C)C Amb17236045 [1,1,0,0,0,0|1,0,0]=3 687 B14R1.15 OCC(O)CNc1cccc(Cl)c1Br Amb25677984 [1,1,0,0,0,0|2,0,0]=4 688 B14R1.15 OCC(O)CNc1cccc(Cl)c1F Amb19006730 [1,1,0,0,0,0|2,0,0]=4 689 B14R1.15 OCC(O)CNc1cccc(F)c1F Amb18305239 [1,1,0,0,0,0|2,0,0]=4 690 B14R1.15 OC[C@@H](O)CNc1cccc(Cl)c1Br Amb25282095 [1,1,0,0,0,0|2,0,0]=4 691 B14R1.15 OC[C@@H](O)CNc1cccc(F)c1F Amb25274644 [1,1,0,0,0,0|2,0,0]=4 692 B14R1.161 CC([C@@H](COc1ccccc1C)N)C Amb17235785 [1,1,0,0,0,0|2,0,0]=4 693 B14R1.161 Cc1ccccc1NCC(O)C(C)C Amb24507591 [1,1,0,0,0,0|2,0,0]=4 694 B14R1.298 Cc1c[n]ccc1NCC(C)(O)CO Amb25696259 [1,1,0,0,0,0|2,0,0]=4 695 B14R1.298 Cc1ccc[n]c1NCC(C)(O)CO Amb25792718 [1,1,0,0,0,0|2,0,0]=4 696 B14R1.298 ClCP(=O)(COc1ccccc1O)O Amb10596161 [1,1,0,0,0,0|2,0,0]=4 697 B14R1.298 NCC(COc1ccccc1Br)(O)C Amb17077009 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.298 NCC(COc1ccccc1C)(C)C Amb17235781 [1,1,0,0,0,0|2,0,0]=4 699 B14R1.298 NCC(COc1ccccc1C)(O)C Amb17077000 [1,1,0,0,0,0|1,0,0]=3 700 B14R1.298 NCC(COc1ccccc1Cl)(O)C Amb17077006 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.298 NCC(COc1ccccc1F)(O)C Amb17077003 [1,1,0,0,0,0|2,0,0]=4 702 B14R1.298 OCC(COc1ccccc1Br)(C)C Amb17266799 [1,1,0,0,0,0|2,0,0]=4 703 B14R1.298 OCC(COc1ccccc1C)(C)C Amb17236016 [1,1,0,0,0,0|1,0,0]=3 704 B14R1.298 OCC(COc1ccccc1Cl)(C)C Amb17241817 [1,1,0,0,0,0|2,0,0]=4 705 B14R1.298 OCC(COc1ccccc1F)(C)C Amb17236734 [1,1,0,0,0,0|2,0,0]=4 706 B14R1.387 COC(COc1ccccc1C)OC Amb2444983 [1,1,0,0,0,0|2,0,0]=4 707 B14R1.598 COCC(O)COc1ccccc1N Amb19082368 [1,1,0,0,0,0|1,0,0]=3 708 B14R1.598 COC[C@@H](O)COc1ccccc1I Amb24306142 [1,1,0,0,0,0|1,0,0]=3 709 B14R1.598 N#CCC(CCc1ccccc1C)O Amb17234675 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.598 N#CCC(COc1ccccc1Br)O Amb17264903 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.598 N#CCC(COc1ccccc1C)N Amb17401431 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.598 N#CCC(COc1ccccc1C)O Amb17235072 [1,1,0,0,0,0|1,0,0]=3 713 B14R1.598 N#CCC(COc1ccccc1Cl)O Amb17241024 [1,1,0,0,0,0|2,0,0]=4 714 B14R1.598 N#CCC(COc1ccccc1F)O Amb17236154 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.727 CCC(O)CNc1ccc(C)cc1C Amb19051157 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.727 Cc1cc(Br)ccc1NCC(C)CO Amb24615474 [1,1,0,0,0,0|2,0,0]=4 717 B14R1.727 Cc1cc(Br)ccc1NCC(O)CC Amb25361604 [1,1,0,0,0,0|2,0,0]=4 718 B14R1.727 Cc1cc(Br)ccc1NC[C@H](O)CO Amb25114998 [1,1,0,0,0,0|1,0,0]=3 719 B14R1.727 Cc1cc(C)c(CCC(O)CN)cc1 Amb18565420 [1,1,0,0,0,0|2,0,0]=4 720 B14R1.727 Cc1cc(C)c(cc1)NCC(C)CO Amb25068707 [1,1,0,0,0,0|2,0,0]=4 721 B14R1.727 Cc1cc(C)c(cc1)NCC(O)CCl Amb25104241 [1,1,0,0,0,0|2,0,0]=4 722 B14R1.727 Cc1cc(C)c(cc1)NC[C@H](O)CO Amb25211614 [1,1,0,0,0,0|1,0,0]=3 723 B14R1.727 Cc1cc(C)c(cc1)OCC(N)CO Amb18565768 [1,1,0,0,0,0|1,0,0]=3 724 B14R1.727 Cc1cc(Cl)ccc1NCC(O)CC Amb25300152 [1,1,0,0,0,0|2,0,0]=4 725 B14R1.727 Cc1cc(Cl)ccc1NC[C@H](O)CC Amb24685617 [1,1,0,0,0,0|2,0,0]=4 726 B14R1.727 Cc1cc(Cl)ccc1NC[C@H](O)CO Amb25351026 [1,1,0,0,0,0|1,0,0]=3 727 B14R1.727 Cc1cc(Cl)ccc1OCC(=O)CO Amb18569765 [1,1,0,0,0,0|0,0,2]=4 728 B14R1.727 Cc1cc(Cl)ccc1OCC(N)CO Amb18569893 [1,1,0,0,0,0|1,0,0]=3 729 B14R1.727 Cc1cc(F)ccc1NCC(O)CC Amb19005302 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.727 Cc1cc(F)ccc1NCC(O)CO Amb19006720 [1,1,0,0,0,0|1,0,0]=3 731 B14R1.727 Cc1cc(F)ccc1NC[C@@H](O)CC Amb25856446 [1,1,0,0,0,0|2,0,0]=4 732 B14R1.727 Cc1cc(F)ccc1NC[C@H](O)CC Amb24623576 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.727 Cc1cc(F)ccc1NC[C@H](O)CO Amb25101440 [1,1,0,0,0,0|1,0,0]=3 734 B14R1.727 Cc1cc(N)c[n]c1NCC(O)CO Amb24666194 [1,1,0,0,0,0|2,0,0]=4 735 B14R1.727 Cc1ccc(NCC(O)CO)c(Cl)c1 Amb18304484 [1,1,0,0,0,0|2,0,0]=4 736 B14R1.727 Cc1ccc(NCC(O)CO)c(F)c1 Amb18304483 [1,1,0,0,0,0|2,0,0]=4 737 B14R1.727 Cc1ccc(NCC(O)CO)c(N)c1 Amb24697204 [1,1,0,0,0,0|2,0,0]=4 738 B14R1.727 Cc1ccc(NC[C@H](O)CO)c(F)c1 Amb24416962 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.727 Cc1ccc(OCC(=O)CO)c(C)c1 Amb18565501 [1,1,0,0,0,0|0,0,2]=4 740 B14R1.727 NC(CO)COc1ccc(Cl)cc1Cl Amb18071000 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.727 NC(CO)COc1ccc(F)cc1Cl Amb18067971 [1,1,0,0,0,0|2,0,0]=4 742 B14R1.727 NC(CO)COc1ccc(F)cc1F Amb18566634 [1,1,0,0,0,0|2,0,0]=4 743 B14R1.727 NCC(CNc1ccc(cc1C)Br)O Amb17163112 [1,1,0,0,0,0|2,0,0]=4 744 B14R1.727 NCC(CNc1ccc(cc1C)C)O Amb17139515 [1,1,0,0,0,0|2,0,0]=4 745 B14R1.727 NCC(CNc1ccc(cc1C)Cl)O Amb17140908 [1,1,0,0,0,0|2,0,0]=4 746 B14R1.727 NCC(COc1ccc(cc1C)C)O Amb1292227 [1,1,0,0,0,0|1,0,0]=3 747 B14R1.727 NCC(COc1ccc(cc1C)C)O Amb2581664 [1,1,0,0,0,0|1,0,0]=3 748 B14R1.727 NCC(COc1ccc(cc1C)Cl)O Amb1137370 [1,1,0,0,0,0|1,0,0]=3 749 B14R1.727 NCC(COc1ccc(cc1Cl)Cl)O Amb1132571 [1,1,0,0,0,0|2,0,0]=4 750 B14R1.727 NCC(CSc1ccc(cc1C)F)O Amb17083184 [1,1,0,0,0,0|1,1,0]=4 751 B14R1.727 Nc1cc(Br)ccc1NCC(O)CO Amb25804933 [1,1,0,0,0,0|2,0,0]=4 752 B14R1.727 Nc1cc(Cl)ccc1NCC(O)CO Amb25852059 [1,1,0,0,0,0|2,0,0]=4 753 B14R1.727 Nc1cc(I)ccc1NCC(O)CO Amb25359558 [1,1,0,0,0,0|2,0,0]=4 754 B14R1.727 Nc1ccc(NCC(O)CO)c(Cl)c1 Amb25040439 [1,1,0,0,0,0|2,0,0]=4 755 B14R1.727 Nc1ccc(NCC(O)CO)c(F)c1 Amb25750031 [1,1,0,0,0,0|2,0,0]=4 756 B14R1.727 Nc1ccc(NCC(O)CO)c(I)c1 Amb24382302 [1,1,0,0,0,0|2,0,0]=4 757 B14R1.727 OCC(CNc1ccc(cc1Br)C)O Amb17307363 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.727 OCC(CNc1ccc(cc1C)Br)O Amb17357391 [1,1,0,0,0,0|1,0,0]=3 759 B14R1.727 OCC(CNc1ccc(cc1C)C)O Amb17306755 [1,1,0,0,0,0|1,0,0]=3 760 B14R1.727 OCC(CNc1ccc(cc1C)Cl)O Amb17340466 [1,1,0,0,0,0|1,0,0]=3 761 B14R1.727 OCC(CNc1ccc(cc1Cl)Cl)O Amb17306790 [1,1,0,0,0,0|2,0,0]=4 762 B14R1.727 OCC(CNc1ccc(cc1F)F)O Amb17307297 [1,1,0,0,0,0|2,0,0]=4 763 B14R1.727 OCC(COc1ccc(cc1C)C)C Amb17236042 [1,1,0,0,0,0|1,0,0]=3 764 B14R1.727 OCC(COc1ccc(cc1C)Cl)C Amb17241833 [1,1,0,0,0,0|1,0,0]=3 765 B14R1.727 OCC(COc1ccc(cc1Cl)Cl)C Amb17251981 [1,1,0,0,0,0|2,0,0]=4 766 B14R1.727 OCC(COc1ccc(cc1Cl)F)C Amb17243519 [1,1,0,0,0,0|2,0,0]=4 767 B14R1.727 OCC(COc1ccc(cc1F)F)C Amb17237410 [1,1,0,0,0,0|2,0,0]=4 768 B14R1.727 OCC(O)CNc1ccc(Br)cc1Br Amb24735551 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.727 OCC(O)CNc1ccc(Br)cc1F Amb24753543 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.727 OCC(O)CNc1ccc(Cl)cc1F Amb19017033 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.727 OCC(O)CNc1ccc(F)cc1Cl Amb19006733 [1,1,0,0,0,0|2,0,0]=4 772 B14R1.727 OCC(O)CNc1ccc(I)cc1Br Amb24602257 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.727 OCC(O)CNc1ccc(I)cc1Cl Amb24358667 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.727 OC[C@@H](O)CNc1ccc(Br)cc1Br Amb24549759 [1,1,0,0,0,0|2,0,0]=4 775 B14R1.727 OC[C@@H](O)CNc1ccc(Br)cc1F Amb25088668 [1,1,0,0,0,0|2,0,0]=4 776 B14R1.727 OC[C@@H](O)CNc1ccc(Cl)cc1F Amb25107265 [1,1,0,0,0,0|2,0,0]=4 777 B14R1.727 OC[C@@H](O)CNc1ccc(Cl)cc1I Amb25732178 [1,1,0,0,0,0|2,0,0]=4 778 B14R1.727 OC[C@@H](O)CNc1ccc(F)cc1Cl Amb25108970 [1,1,0,0,0,0|2,0,0]=4 779 B14R1.727 OC[C@@H](O)CNc1ccc(F)cc1I Amb24659386 [1,1,0,0,0,0|2,0,0]=4 780 B14R1.820 CC(CO)COc1cc(C)ccc1Cl Amb17241839 [1,1,0,0,0,0|2,0,0]=4 781 B14R1.820 CC(CO)COc1cc(Cl)ccc1Cl Amb17251978 [1,1,0,0,0,0|2,0,0]=4 782 B14R1.820 CCC(O)CNc1cc(C)ccc1C Amb19051167 [1,1,0,0,0,0|2,0,0]=4 783 B14R1.820 CC[C@@H](O)CNc1cc(C)ccc1C Amb25802130 [1,1,0,0,0,0|2,0,0]=4 784 B14R1.820 Cc1cc(CCC(O)CN)c(C)cc1 Amb18565413 [1,1,0,0,0,0|2,0,0]=4 785 B14R1.820 Cc1cc(NCC(O)CF)c(C)cc1 Amb24625739 [1,1,0,0,0,0|2,0,0]=4 786 B14R1.820 Cc1cc(NCC(O)CO)c(Br)cc1 Amb24427257 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.820 Cc1cc(NCC(O)CO)c(F)cc1 Amb18304485 [1,1,0,0,0,0|2,0,0]=4 788 B14R1.820 Cc1cc(NCC(O)CO)c(N)cc1 Amb25198387 [1,1,0,0,0,0|2,0,0]=4 789 B14R1.820 Cc1cc(OCC(=O)CO)c(C)cc1 Amb18565500 [1,1,0,0,0,0|0,0,2]=4 790 B14R1.820 Cc1cc(OCC(N)CO)c(C)cc1 Amb18565767 [1,1,0,0,0,0|1,0,0]=3 791 B14R1.820 Cc1cc(OCC(N)CO)c(Cl)cc1 Amb18569895 [1,1,0,0,0,0|2,0,0]=4 792 B14R1.820 Cc1ccc(Br)cc1NCC(O)CC Amb24444180 [1,1,0,0,0,0|2,0,0]=4 793 B14R1.820 Cc1ccc(Cl)cc1NCC(C)CO Amb25732225 [1,1,0,0,0,0|2,0,0]=4 794 B14R1.820 Cc1ccc(Cl)cc1NCC(O)CC Amb25081563 [1,1,0,0,0,0|2,0,0]=4 795 B14R1.820 Cc1ccc(Cl)cc1NCC(O)CF Amb24551444 [1,1,0,0,0,0|2,0,0]=4 796 B14R1.820 Cc1ccc(Cl)cc1NC[C@@H](O)CC Amb24392046 [1,1,0,0,0,0|2,0,0]=4 797 B14R1.820 Cc1ccc(F)cc1NCC(C)CO Amb24665071 [1,1,0,0,0,0|2,0,0]=4 798 B14R1.820 Cc1ccc(F)cc1NCC(O)CC Amb19005300 [1,1,0,0,0,0|2,0,0]=4 799 B14R1.820 Cc1ccc(F)cc1NCC(O)CO Amb19006716 [1,1,0,0,0,0|1,0,0]=3 800 B14R1.820 Cc1ccc(F)cc1NC[C@@H](O)CC Amb25697797 [1,1,0,0,0,0|2,0,0]=4 801 B14R1.820 Cc1ccc(I)cc1NCC(C)CO Amb24425785 [1,1,0,0,0,0|2,0,0]=4 802 B14R1.820 Cc1ccc(I)cc1NCC(O)CC Amb24365792 [1,1,0,0,0,0|2,0,0]=4 803 B14R1.820 Cc1ccc(N)cc1NCC(C)CO Amb25181982 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.820 Cc1ccc(N)cc1NCC(O)CC Amb24647095 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.820 Cc1ccc(cc1NCC(CN)O)C Amb17139516 [1,1,0,0,0,0|2,0,0]=4 806 B14R1.820 Cc1ccc(cc1NCC(CN)O)Cl Amb17140907 [1,1,0,0,0,0|2,0,0]=4 807 B14R1.820 Cc1ccc(cc1NCC(CO)O)C Amb17336983 [1,1,0,0,0,0|1,0,0]=3 808 B14R1.820 Cc1ccc(cc1NCC(CO)O)Cl Amb17340465 [1,1,0,0,0,0|1,0,0]=3 809 B14R1.820 Cc1ccc(cc1OCC(CN)O)C Amb1138020 [1,1,0,0,0,0|1,0,0]=3 810 B14R1.820 NC(CO)COc1cc(Cl)ccc1Cl Amb18070997 [1,1,0,0,0,0|2,0,0]=4 811 B14R1.820 NCC(COc1cc(Cl)ccc1Cl)O Amb1140030 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.820 OC(CO)CNc1cc(Cl)ccc1Cl Amb17306518 [1,1,0,0,0,0|2,0,0]=4 813 B14R1.820 OC(CO)CNc1cc(F)ccc1F Amb17307287 [1,1,0,0,0,0|2,0,0]=4 814 B14R1.820 OCC(COc1cc(C)ccc1C)C Amb17236039 [1,1,0,0,0,0|1,0,0]=3 815 B14R1.820 OCC(O)C#Cc1cc(O)ccc1O Amb25830072 [1,1,0,0,0,0|1,0,1]=4 816 B14R1.820 OCC(O)CNc1cc(Br)ccc1F Amb24706206 [1,1,0,0,0,0|2,0,0]=4 817 B14R1.820 OCC(O)CNc1cc(Cl)ccc1F Amb18304487 [1,1,0,0,0,0|2,0,0]=4 818 B14R1.820 OCC(O)CNc1cc(F)ccc1Br Amb25101237 [1,1,0,0,0,0|2,0,0]=4 819 B14R1.820 OCC(O)CNc1cc(F)ccc1Cl Amb25687276 [1,1,0,0,0,0|2,0,0]=4 820 B14R1.820 OCC(O)CNc1cc(I)ccc1Cl Amb25831662 [1,1,0,0,0,0|2,0,0]=4 821 B14R1.820 OC[C@@H](O)CNc1cc(Cl)ccc1Cl Amb24726811 [1,1,0,0,0,0|2,0,0]=4 822 B14R1.820 OC[C@@H](O)CNc1cc(Cl)ccc1F Amb24607792 [1,1,0,0,0,0|2,0,0]=4 823 B14R1.820 OC[C@@H](O)CNc1cc(F)ccc1F Amb24440595 [1,1,0,0,0,0|2,0,0]=4 824 B14R1.1007 Cc1ccccc1NC(=O)C(O)CO Amb25711033 [1,1,0,0,0,0|1,0,1]=4 825 B14R1.1007 Cc1ccccc1NC(=O)[C@@H](O)CO Amb25133517 [1,1,0,0,0,0|1,0,1]=4 826 B14R1.1007 Cc1ccccc1NC(C)C(O)CC Amb25737846 [1,1,0,0,0,0|2,0,0]=4 827 B14R1.1007 Cc1ccccc1N[C@@H](C)[C@@H](O)CC Amb25713219 [1,1,0,0,0,0|2,0,0]=4 828 B14R1.1007 Cc1ccccc1N[C@H](C)[C@H](O)CC Amb25185582 [1,1,0,0,0,0|2,0,0]=4 829 B14R1.19598 CCC(O)CNc1c(C)cccc1C Amb19061970 [1,1,0,0,0,0|2,0,0]=4 830 B14R1.19598 Cc1cccc(C)c1NCC(O)CCl Amb25328468 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.19598 Cc1cccc(C)c1NC[C@H](O)CO Amb25101230 [1,1,0,0,0,0|1,0,0]=3 832 B14R1.19598 Cc1cccc(C)c1OCC(=O)CO Amb18565499 [1,1,0,0,0,0|0,0,2]=4 833 B14R1.19598 Cc1cccc(C)c1OCC(N)CO Amb18565766 [1,1,0,0,0,0|1,0,0]=3 834 B14R1.19598 Cc1cccc(C)c1OCC(O)CBr Amb23510120 [1,1,0,0,0,0|1,0,0]=3 835 B14R1.19598 Cc1cccc(C)c1OCC(O)CN Amb21953973 [1,1,0,0,0,0|1,0,0]=3 836 B14R1.19598 Cc1cccc(Cl)c1NC[C@@H](O)CC Amb25724657 [1,1,0,0,0,0|2,0,0]=4 837 B14R1.19598 Cc1cccc(Cl)c1NC[C@H](O)CC Amb24523219 [1,1,0,0,0,0|2,0,0]=4 838 B14R1.19598 Cc1cccc(F)c1NCC(O)CC Amb24607919 [1,1,0,0,0,0|2,0,0]=4 839 B14R1.19598 Cc1cccc(F)c1NCC(O)CF Amb24608560 [1,1,0,0,0,0|2,0,0]=4 840 B14R1.19598 Cc1cccc(F)c1NC[C@H](O)CO Amb25372268 [1,1,0,0,0,0|1,0,0]=3 841 B14R1.19598 Cc1cccc(N)c1NCC(C)CO Amb25665066 [1,1,0,0,0,0|2,0,0]=4 842 B14R1.19598 NC(CO)COc1c(Cl)cccc1Cl Amb18070994 [1,1,0,0,0,0|2,0,0]=4 843 B14R1.19598 NCC(CNc1c(C)cccc1C)O Amb17139519 [1,1,0,0,0,0|2,0,0]=4 844 B14R1.19598 NCC(COc1c(C)cccc1C)O Amb1130426 [1,1,0,0,0,0|1,0,0]=3 845 B14R1.19598 OCC(CNc1c(C)cccc1C)O Amb17306429 [1,1,0,0,0,0|1,0,0]=3 846 B14R1.19598 OCC(CNc1c(Cl)cccc1Cl)O Amb17306299 [1,1,0,0,0,0|2,0,0]=4 847 B14R1.19598 OCC(COc1c(C)cccc1C)C Amb17236036 [1,1,0,0,0,0|1,0,0]=3 848 B14R1.19598 OCC(COc1c(Cl)cccc1Cl)C Amb17251975 [1,1,0,0,0,0|2,0,0]=4 849 B14R1.19598 OCC(O)CNc1c(F)cccc1Br Amb25839578 [1,1,0,0,0,0|2,0,0]=4 850 B14R1.19598 OCC(O)CNc1c(F)cccc1F Amb19006731 [1,1,0,0,0,0|2,0,0]=4 851 B14R1.19598 OC[C@@H](O)CNc1c(F)cccc1Br Amb25680961 [1,1,0,0,0,0|2,0,0]=4 852 B14R1.19598 OC[C@@H](O)CNc1c(F)cccc1Cl Amb24698555 [1,1,0,0,0,0|2,0,0]=4 853 B14R1.19598 ONC(COc1c(C)cccc1C)C Amb17615561 [1,1,0,0,0,0|2,0,0]=4 854 B14R1.483 CCC(Br)Cc1ccccc1OCC Amb18548946 [0,1,0,0,1,0|2,0,0]=4 855 B14R1.2000 BrCC(Oc1ccccc1OC)(C)C Amb17266805 [0,1,0,0,1,0|2,0,0]=4 856 B14R1.2000 CC(C)(CN)Cc1ccccc1OC Amb19515181 [0,1,0,0,1,0|2,0,0]=4 857 B14R1.2000 CC(O)(Cc1ccccc1OC)C#N Amb19050116 [0,1,0,0,1,0|1,0,1]=4 858 B14R1.2000 COc1ccccc1NC(C)(C)CO Amb19008985 [0,1,0,0,1,0|2,0,0]=4 859 B14R1.2000 ClCC(Oc1ccccc1OC)(C)C Amb17241823 [0,1,0,0,1,0|2,0,0]=4 860 B14R1.2000 NCC(Cc1ccccc1OC)(C)C Amb17333864 [0,1,0,0,1,0|2,0,0]=4 861 B14R1.2000 NCC(Cc1ccccc1OC)(O)C Amb17082138 [0,1,0,0,1,0|1,0,0]=3 862 B14R1.2000 NCC(Oc1ccccc1OC)(C)C Amb17074810 [0,1,0,0,1,0|2,0,0]=4 863 B14R1.2000 OCC(Cc1ccccc1OC)(C)C Amb17336853 [0,1,0,0,1,0|1,0,0]=3 864 B14R1.2000 OCC(Oc1ccccc1CC)(C)C Amb17236022 [0,1,0,0,1,0|2,0,0]=4 865 B14R1.2000 OCC(Oc1ccccc1OC)(C)C Amb17236399 [0,1,0,0,1,0|1,0,0]=3 866 B14R1.3136 COc1ccccc1CC(CO)C#N Amb18110137 [0,1,0,0,1,0|1,0,0]=3 867 B14R1.3136 COc1ccccc1NC(CO)C#N Amb25760926 [0,1,0,0,1,0|2,0,0]=4 868 B14R1.3136 OCC(Cc1ccccc1OC)CO Amb17402104 [0,1,0,0,1,0|0,0,0]=2 869 B14R1.3279 COc1ccc(Cl)cc1CC(=O)CO Amb18066841 [0,1,0,0,1,0|0,0,2]=4 870 B14R1.3279 COc1ccc(Cl)cc1CC(N)CO Amb18066975 [0,1,0,0,1,0|1,0,0]=3 871 B14R1.3279 COc1ccc(F)cc1CC(=O)CO Amb18566005 [0,1,0,0,1,0|0,0,2]=4 872 B14R1.3279 COc1ccc(F)cc1CC(N)CO Amb18566114 [0,1,0,0,1,0|1,0,0]=3 873 B14R1.3279 COc1ccc(cc1CC(CN)O)Cl Amb17242157 [0,1,0,0,1,0|1,0,0]=3 874 B14R1.3279 COc1ccc(cc1CC(CN)O)F Amb17236908 [0,1,0,0,1,0|1,0,0]=3 875 B14R1.3279 Cc1ccc(OC)c(CC(=O)CO)c1 Amb18565476 [0,1,0,0,1,0|0,0,2]=4 876 B14R1.3279 Cc1ccc(OC)c(CC(Br)CC)c1 Amb18548933 [0,1,0,0,1,0|2,0,0]=4 877 B14R1.3279 Cc1ccc(OC)c(CC(N)CO)c1 Amb18565717 [0,1,0,0,1,0|1,0,0]=3 878 B14R1.3279 Cc1ccc(OC)c(CC(O)CC)c1 Amb19051737 [0,1,0,0,1,0|1,0,0]=3 879 B14R1.3279 Cc1ccc(OC)c(c1)NC(C)CO Amb25782067 [0,1,0,0,1,0|2,0,0]=4 880 B14R1.3279 NCC(Cc1cc(C)ccc1OC)O Amb17236221 [0,1,0,0,1,0|1,0,0]=3 881 B14R1.3279 OCC(Cc1cc(C)ccc1OC)O Amb17595184 [0,1,0,0,1,0|0,0,0]=2 882 B14R1.3302 OCC(Oc1ccccc1C(C)C)C Amb17236031 [0,1,0,0,1,0|2,0,0]=4 883 B14R1.3417 BrCC(Oc1ccc(cc1OC)C)C Amb17266812 [0,1,0,0,1,0|2,0,0]=4 884 B14R1.3417 ClCC(Oc1ccc(cc1OC)C)C Amb17241830 [0,1,0,0,1,0|2,0,0]=4 885 B14R1.3417 OCC(Oc1ccc(cc1OC)C)C Amb17236411 [0,1,0,0,1,0|1,0,0]=3 886 B16R1.948 COc1ccccc1CNCC(C)COC Amb24776586 [0,1,0,0,0,1|2,0,0]=4 887 B16R1.948 N#CCC(CCOc1ccccc1CC)O Amb17243704 [0,1,0,0,0,1|2,0,0]=4 888 B16R1.948 N#CCC(CCOc1ccccc1OC)O Amb17244769 [0,1,0,0,0,1|1,0,0]=3 889 B16R1.3262 CCC(CCOc1ccccc1C(C)C)O Amb17141658 [0,1,0,0,0,1|2,0,0]=4 890 B16R1.3911 CCc1ccccc1OCCC(C(C)C)O Amb17141664 [0,1,0,0,0,1|2,0,0]=4 891 B16R1.3911 COc1ccccc1OCCC(C(C)C)O Amb17141927 [0,1,0,0,0,1|1,0,0]=3 892 B16R1.4324 COc1ccc(Br)cc1COCC(O)CN Amb23556833 [0,1,0,0,0,1|1,0,0]=3 893 B16R1.4324 COc1ccc(Cl)cc1COCC(N)CC Amb18631147 [0,1,0,0,0,1|2,0,0]=4 894 B16R1.4324 COc1ccc(F)cc1COCC(N)CC Amb18112249 [0,1,0,0,0,1|2,0,0]=4 895 B16R1.4324 COc1ccc(F)cc1CSCC(O)CO Amb24187102 [0,1,0,0,0,1|0,1,0]=3 896 B16R1.4324 Cc1ccc(OC)c(COCC(N)CC)c1 Amb18631143 [0,1,0,0,0,1|2,0,0]=4 897 B16R1.4780 CCC(CCOc1ccc(cc1OC)C)O Amb17141926 [0,1,0,0,0,1|1,0,0]=3 898 B16R1.698 CCOc1ccccc1OCC(C(C)C)N Amb17110169 [0,2,0,0,0,0|2,0,0]=4 899 B16R1.5566 COc1ccccc1C(=O)CC(O)C(O)=O Amb18134487 [0,2,0,0,0,0|1,0,1]=4 900 B16R1.694 CCOc1ccccc1CCC(CC#N)O Amb17243647 [0,2,0,0,0,0|2,0,0]=4 901 B16R1.694 CCOc1ccccc1OCC(CC#N)O Amb17244772 [0,2,0,0,0,0|1,0,0]=3 902 B16R1.1330 OCC(CNc1ccccc1OC(C)C)O Amb17343344 [0,2,0,0,0,0|1,0,0]=3 903 B16R1.1332 OCC(CNc1ccccc1C(=O)OC)O Amb17343243 [0,2,0,0,0,0|1,0,0]=3 904 B16R1.13419 CCOc1ccccc1OCC(CO)(C)C Amb17246625 [0,2,0,0,0,0|1,0,0]=3 905 B16R1.924 NOCC(COc1ccc(cc1OC)C)O Amb17104999 [0,2,0,0,0,0|0,0,0]=2 906 B16R1.4440 COCC(O)COc1ccccc1C(O)=O Amb19888677 [0,2,0,0,0,0|2,0,0]=4 907 B16R1.4440 NOCC(COc1ccccc1C(C)C)O Amb17104976 [0,2,0,0,0,0|1,0,0]=3 908 B16R1.1331 NCC(COc1ccccc1C(C)(C)C)O Amb1132755 [0,2,0,0,0,0|2,0,0]=4 909 B16R1.16824 CC(=O)c1c(F)cccc1NCC(O)CO Amb24272274 [0,2,0,0,0,0|2,0,0]=4 910 B16R1.19790 NCC(COc1c(OC)cccc1OC)O Amb1126590 [0,2,0,0,0,0|1,0,0]=3 911 B16R1.19790 OCC(CNc1c(CC)cccc1CC)O Amb17342829 [0,2,0,0,0,0|2,0,0]=4 912 B16R1.19790 OCC(COc1c(OC)cccc1OC)C Amb17247356 [0,2,0,0,0,0|1,0,0]=3 913 B16R1.4300 CC(C)(CO)CNc1cc(Cl)ccc1OC Amb18933272 [0,2,0,0,0,0|2,0,0]=4 914 B16R1.19717 OCC(COc1cccc(c1OC)OC)C Amb17247359 [0,2,0,0,0,0|1,0,0]=3 915 B16R1.20156 COc1ccc(cc1NCC(CO)O)OC Amb17343792 [0,2,0,0,0,0|1,0,0]=3 916 B14R2.3 BrCCCC1COc2ccccc21 Amb25317890 [1,0,0,1,0,0|2,0,0]=4 917 B14R2.3 NCCCC1COc2ccccc21 Amb24489807 [1,0,0,1,0,0|2,0,0]=4 918 B14R2.3 OCCCC1CCc2ccccc21 Amb24353166 [1,0,0,1,0,0|2,0,0]=4 919 B14R2.3 OCCCC1COc2ccccc21 Amb24638479 [1,0,0,1,0,0|1,0,0]=3 920 B14R2.3 OCCCC1CSc2ccccc21 Amb24744027 [1,0,0,1,0,0|1,1,0]=4 921 B14R2.3 OCCNC1COc2ccccc21 Amb25160747 [1,0,0,1,0,0|2,0,0]=4 922 B14R2.44 OCCC1Oc2ccccc2C1=O Amb25112559 [1,0,0,1,0,0|2,0,0]=4 923 B14R2.92 CN1C(CN)COc2ccccc12 Amb25762846 [1,0,0,1,0,0|2,0,0]=4 924 B14R2.92 CN1C(CO)CCc2ccccc12 Amb25815345 [1,0,0,1,0,0|2,0,0]=4 925 B14R2.92 C[C@@H]1[C@@H](CCc2ccccc21)CO Amb25333391 [1,0,0,1,0,0|2,0,0]=4 926 B14R2.92 NC1C(CO)COc2ccccc21 Amb25674642 [1,0,0,1,0,0|2,0,0]=4 927 B14R2.92 N[C@@H]1[C@H](CO)COc2ccccc21 Amb24512291 [1,0,0,1,0,0|2,0,0]=4 928 B14R2.93 NCC1COc2ccccc2OC1 Amb25783958 [1,0,0,1,0,0|1,0,0]=3 929 B14R2.98 COc1ccccc1C2=NCCC2 Amb10606644 [1,0,0,1,0,0|2,0,0]=4 930 B14R2.98 COc1ccccc1C2CCCC2 Amb24634613 [1,0,0,1,0,0|2,0,0]=4 931 B14R2.98 COc1ccccc1C2CCCN2 Amb19887601 [1,0,0,1,0,0|2,0,0]=4 932 B14R2.98 COc1ccccc1C2CCCN2 Amb2234643 [1,0,0,1,0,0|2,0,0]=4 933 B14R2.98 COc1ccccc1C2CCCO2 Amb17335233 [1,0,0,1,0,0|1,0,0]=3 934 B14R2.98 COc1ccccc1C2CNCO2 Amb18065827 [1,0,0,1,0,0|2,0,0]=4 935 B14R2.98 COc1ccccc1C2NCCO2 Amb17335292 [1,0,0,1,0,0|2,0,0]=4 936 B14R2.98 COc1ccccc1C2OCCO2 Amb17335396 [1,0,0,1,0,0|2,0,0]=4 937 B14R2.98 COc1ccccc1N2CCCC2 Amb18269135 [1,0,0,1,0,0|2,0,0]=4 938 B14R2.98 COc1ccccc1[C@@H]2CCCN2 Amb24080229 [1,0,0,1,0,0|2,0,0]=4 939 B14R2.98 COc1ccccc1[C@H]2CCCN2 Amb24063888 [1,0,0,1,0,0|2,0,0]=4 940 B14R2.98 COc1ccccc1[C@H]2CCCN2 Amb24670268 [1,0,0,1,0,0|2,0,0]=4 941 B14R2.112 CNCC1COc2c(O1)cccc2 Amb1152415 [1,0,0,1,0,0|2,0,0]=4 942 B14R2.112 ClCCC1COc2ccccc2O1 Amb24089602 [1,0,0,1,0,0|1,0,0]=3 943 B14R2.112 N#CCC1COc2ccccc2O1 Amb18127383 [1,0,0,1,0,0|1,0,1]=4 944 B14R2.112 NCCC1COc2c(O1)cccc2 Amb1085270 [1,0,0,1,0,0|1,0,0]=3 945 B14R2.112 NCCC1COc2ccccc2O1 Amb22283857 [1,0,0,1,0,0|1,0,0]=3 946 B14R2.112 NCCC1CSc2ccccc2O1 Amb24552717 [1,0,0,1,0,0|1,1,0]=4 947 B14R2.112 NCCC1Cc2ccccc2OC1 Amb18195874 [1,0,0,1,0,0|2,0,0]=4 948 B14R2.112 NNCC1COc2c(O1)cccc2 Amb1117637 [1,0,0,1,0,0|2,0,0]=4 949 B14R2.112 OCCC1COc2c(O1)cccc2 Amb10227655 [1,0,0,1,0,0|0,0,0]=2 950 B14R2.112 OCCC1CSc2ccccc2N1 Amb25220146 [1,0,0,1,0,0|1,1,0]=4 951 B14R2.112 OCCC1Cc2ccccc2CC1 Amb25063214 [1,0,0,1,0,0|2,0,0]=4 952 B14R2.112 OCCC1Cc2ccccc2NC1 Amb25364202 [1,0,0,1,0,0|2,0,0]=4 953 B14R2.112 OCCN1Cc2ccccc2OC1 Amb25097861 [1,0,0,1,0,0|2,0,0]=4 954 B14R2.112 OCC[C@@H]1CCc2ccccc2O1 Amb25852946 [1,0,0,1,0,0|1,0,0]=3 955 B14R2.112 OC\C=C/1\COc2ccccc2O1 Amb25346192 [1,0,0,1,0,0|0,0,2]=4 956 B14R2.279 N[C@@H]1[C@@H](O)CCOc2ccccc21 Amb25168969 [1,0,0,1,0,0|2,0,0]=4 957 B14R2.279 N[C@@H]1[C@H](O)CCOc2ccccc21 Amb25168945 [1,0,0,1,0,0|2,0,0]=4 958 B14R2.279 OC1CCOc2ccccc2C1=O Amb25070716 [1,0,0,1,0,0|2,0,0]=4 959 B14R2.280 OC1CCCc2ccccc2CC1 Amb25381459 [1,0,0,1,0,0|2,0,0]=4 960 B14R2.280 OC1CNCc2ccccc2OC1 Amb25191816 [1,0,0,1,0,0|2,0,0]=4 961 B14R2.280 OC1COc2ccccc2CCC1 Amb24495770 [1,0,0,1,0,0|1,0,0]=3 962 B14R2.280 OC1COc2ccccc2COC1 Amb25092041 [1,0,0,1,0,0|2,0,0]=4 963 B14R2.1072 CCC1CNc2c(cccc21)OC Amb18063419 [1,0,0,1,0,0|2,0,0]=4 964 B14R2.1072 CCc1cccc2C(CO)CNc12 Amb18561210 [1,0,0,1,0,0|2,0,0]=4 965 B14R2.1072 COc1cccc2C(CN)CNc21 Amb18063055 [1,0,0,1,0,0|2,0,0]=4 966 B14R2.1072 COc1cccc2C(CO)CNc21 Amb18063469 [1,0,0,1,0,0|1,0,0]=3 967 B14R2.1072 COc1cccc2C(CO)NCc21 Amb25192320 [1,0,0,1,0,0|2,0,0]=4 968 B14R2.1072 COc1cccc2[C@@H](CO)NCc21 Amb24462926 [1,0,0,1,0,0|2,0,0]=4 969 B14R2.1072 NCC1CCc2c1cccc2OC Amb17233298 [1,0,0,1,0,0|2,0,0]=4 970 B14R2.1078 CCc1cccc2C(I)CCOc21 Amb25228187 [1,0,0,1,0,0|2,0,0]=4 971 B14R2.1078 CCc1cccc2C(O)CCNc21 Amb18559757 [1,0,0,1,0,0|2,0,0]=4 972 B14R2.1078 CCc1cccc2C(O)CCOc21 Amb24415843 [1,0,0,1,0,0|1,0,0]=3 973 B14R2.1078 CCc1cccc2[C@@H](N)CCOc21 Amb24411509 [1,0,0,1,0,0|2,0,0]=4 974 B14R2.1078 CCc1cccc2[C@H](N)CCOc21 Amb25709574 [1,0,0,1,0,0|2,0,0]=4 975 B14R2.1078 CCc1cccc2[C@H](O)CCOc21 Amb25035409 [1,0,0,1,0,0|1,0,0]=3 976 B14R2.1078 CCc1cccc2c1OCCC2N Amb13952476 [1,0,0,1,0,0|2,0,0]=4 977 B14R2.1078 COc1cccc2C(Br)CCSc21 Amb25687808 [1,0,0,1,0,0|1,1,0]=4 978 B14R2.1078 COc1cccc2C(I)CCNc21 Amb25350651 [1,0,0,1,0,0|2,0,0]=4 979 B14R2.1078 COc1cccc2C(N)CCCc21 Amb22002129 [1,0,0,1,0,0|2,0,0]=4 980 B14R2.1078 COc1cccc2C(N)CCNc21 Amb18062262 [1,0,0,1,0,0|2,0,0]=4 981 B14R2.1078 COc1cccc2C(N)CCSc21 Amb18944971 [1,0,0,1,0,0|1,1,0]=4 982 B14R2.1078 COc1cccc2[C@@H](N)CCCc21 Amb24428745 [1,0,0,1,0,0|2,0,0]=4 983 B14R2.1078 COc1cccc2[C@@H](N)CCOc21 Amb24493856 [1,0,0,1,0,0|1,0,0]=3 984 B14R2.1078 COc1cccc2[C@@H](O)CCCc21 Amb24636779 [1,0,0,1,0,0|1,0,0]=3 985 B14R2.1078 COc1cccc2[C@@H](O)CCOc21 Amb24674567 [1,0,0,1,0,0|0,0,0]=2 986 B14R2.1078 COc1cccc2[C@@H](O)CSCc21 Amb24643633 [1,0,0,1,0,0|2,0,0]=4 987 B14R2.1078 COc1cccc2[C@H](O)CCCc21 Amb24422955 [1,0,0,1,0,0|1,0,0]=3 988 B14R2.1078 COc1cccc2[C@H](O)CCOc21 Amb24705071 [1,0,0,1,0,0|0,0,0]=2 989 B14R2.1078 COc1cccc2c1CCCC2N Amb2383250 [1,0,0,1,0,0|2,0,0]=4 990 B14R2.1078 COc1cccc2c1OCCC2N Amb13952444 [1,0,0,1,0,0|1,0,0]=3 991 B14R2.1078 COc1cccc2c1OCCC2N Amb2383374 [1,0,0,1,0,0|1,0,0]=3 992 B14R2.1078 COc1cccc2c1OCCC2O Amb17107290 [1,0,0,1,0,0|0,0,0]=2 993 B14R2.1078 CSc1cccc2C(N)CCOc21 Amb24490826 [1,0,0,1,0,0|1,1,0]=4 994 B14R2.1078 CSc1cccc2[C@H](N)CCOc21 Amb25070559 [1,0,0,1,0,0|1,1,0]=4 995 B14R2.1078 N#Cc1cccc2C(O)CCOc21 Amb25735883 [1,0,0,1,0,0|2,0,0]=4 996 B14R2.1078 N#Cc1cccc2[C@H](O)CCOc21 Amb25667718 [1,0,0,1,0,0|2,0,0]=4 997 B14R2.1078 OC1CCOc2c(C=O)cccc21 Amb24344171 [1,0,0,1,0,0|2,0,0]=4 998 B14R2.1914 CCc1ccccc1OC2CCC2 Amb24490955 [1,0,0,1,0,0|2,0,0]=4 999 B14R2.1914 COc1cc[n]cc1OC2CCC2 Amb24436799 [1,0,0,1,0,0|2,0,0]=4 1000 B14R2.1914 COc1ccccc1NC2CCC2 Amb18293887 [1,0,0,1,0,0|2,0,0]=4 1001 B14R2.1914 COc1ccccc1OC2CNC2 Amb10607986 [1,0,0,1,0,0|2,0,0]=4 1002 B14R2.1914 COc1ccccc1OC2CNC2 Amb13949203 [1,0,0,1,0,0|2,0,0]=4 1003 B14R2.2839 C1COc2ccccc2OCCO1 Amb25676969 [1,0,0,1,0,0|2,0,0]=4 1004 B14R2.2966 CCc1ccccc1C2CC2CO Amb23596511 [1,0,0,1,0,0|2,0,0]=4 1005 B14R2.2966 COc1ccccc1C2CC2CO Amb23442942 [1,0,0,1,0,0|1,0,0]=3 1006 B14R2.2966 NCC1CC1c2ccccc2OC Amb17233272 [1,0,0,1,0,0|2,0,0]=4 1007 B14R2.11625 CNc1ccccc1OCC2CC2 Amb24631737 [1,0,0,1,0,0|2,0,0]=4 1008 B14R2.11625 COc1ccccc1\C=C\C2CO2 Amb24722538 [1,0,0,1,0,0|1,0,1]=4 1009 B14R2.11625 N#Cc1ccccc1OC[C@@H]2CO2 Amb24496773 [1,0,0,1,0,0|2,0,0]=4 1010 B14R2.11625 OCc1ccccc1OCC2CO2 Amb24103796 [1,0,0,1,0,0|2,0,0]=4 1011 B14R2.11637 C#Cc1cccc2OCCCOc21 Amb24339145 [1,0,0,1,0,0|1,0,1]=4 1012 B14R2.11637 CCc1cccc2c1OCCCN2 Amb17570277 [1,0,0,1,0,0|2,0,0]=4 1013 B14R2.11637 COc1cccc2NCCCCc12 Amb24081727 [1,0,0,1,0,0|2,0,0]=4 1014 B14R2.11637 COc1cccc2NCCCNc21 Amb25153763 [1,0,0,1,0,0|2,0,0]=4 1015 B14R2.11637 COc1cccc2OCCCNc12 Amb24361552 [1,0,0,1,0,0|1,0,0]=3 1016 B14R2.11637 COc1cccc2OCCCOc21 Amb25066849 [1,0,0,1,0,0|0,0,0]=2 1017 B14R2.11637 COc1cccc2OCCNCc12 Amb25084193 [1,0,0,1,0,0|2,0,0]=4 1018 B14R2.11637 COc1cccc2c1CCCCN2 Amb2383461 [1,0,0,1,0,0|2,0,0]=4 1019 B14R2.11637 ClCc1cccc2OCCCOc21 Amb24339149 [1,0,0,1,0,0|2,0,0]=4 1020 B14R2.2 CC(CN1CCc2c1cccc2)O Amb17138823 [1,0,0,1,0,0|2,0,0]=4 1021 B14R2.2 CC(N)CC1COc2ccccc21 Amb25065730 [1,0,0,1,0,0|2,0,0]=4 1022 B14R2.2 CC(O)Cc1[n]oc2ccccc21 Amb24543762 [1,0,0,1,0,0|2,0,0]=4 1023 B14R2.52 CN1CC(O)COc2ccccc12 Amb24368806 [1,0,0,1,0,0|1,0,0]=3 1024 B14R2.450 CC1C(Oc2ccccc21)C(C)N Amb20667590 [1,0,0,1,0,0|2,0,0]=4 1025 B14R2.781 CC(=O)[C@@H]1COc2ccccc2O1 Amb25853616 [1,0,0,1,0,0|0,0,2]=4 1026 B14R2.781 CC(Br)C1COc2ccccc2C1 Amb25055496 [1,0,0,1,0,0|2,0,0]=4 1027 B14R2.781 CC(C1CNc2c(O1)cccc2)C Amb17570282 [1,0,0,1,0,0|2,0,0]=4 1028 B14R2.781 CC(C1COc2c(N1)cccc2)C Amb17570252 [1,0,0,1,0,0|2,0,0]=4 1029 B14R2.781 CC(C1COc2c(O1)cccc2)N Amb17622285 [1,0,0,1,0,0|1,0,0]=3 1030 B14R2.781 CC(Cl)C1COc2ccccc2C1 Amb25027335 [1,0,0,1,0,0|2,0,0]=4 1031 B14R2.781 CC(O)C1CCc2ccccc2C1 Amb24447310 [1,0,0,1,0,0|2,0,0]=4 1032 B14R2.781 CC(O)C1CCc2ccccc2N1 Amb24691645 [1,0,0,1,0,0|2,0,0]=4 1033 B14R2.781 CC(O)C1CCc2ccccc2O1 Amb24588257 [1,0,0,1,0,0|1,0,0]=3 1034 B14R2.781 C[C@@H](N)C1COc2ccccc2O1 Amb24727927 [1,0,0,1,0,0|1,0,0]=3 1035 B14R2.781 C[C@@H](N)[C@H]1COc2ccccc2O1 Amb24585738 [1,0,0,1,0,0|1,0,0]=3 1036 B14R2.781 C[C@@H](O)C1CCc2ccccc2C1 Amb24352435 [1,0,0,1,0,0|2,0,0]=4 1037 B14R2.781 C[C@H](N)C1CSc2ccccc2O1 Amb25087002 [1,0,0,1,0,0|1,1,0]=4 1038 B14R2.781 C[C@H](O)C=1COc2ccccc2C1 Amb25792473 [1,0,0,1,0,0|1,0,1]=4 1039 B14R2.781 OB(O)C1COc2ccccc2O1 Amb24065293 [1,0,0,1,0,0|1,0,0]=3 1040 B14R2.781 OC(=O)C1COc2ccccc2O1 Amb24060687 [1,0,0,1,0,0|0,0,2]=4 1041 B14R2.781 OC(=O)[C@H]1COc2ccccc2O1 Amb19889734 [1,0,0,1,0,0|0,0,2]=4 1042 B14R2.1073 CCc1cccc2c1OCC(N2)C Amb17570268 [1,0,0,1,0,0|2,0,0]=4 1043 B14R2.1073 COc1cccc2C=C(O)COc12 Amb24094136 [1,0,0,1,0,0|0,0,2]=4 1044 B14R2.1073 COc1cccc2CC(F)CNc21 Amb24578550 [1,0,0,1,0,0|2,0,0]=4 1045 B14R2.1073 COc1cccc2CC(N)COc12 Amb20249358 [1,0,0,1,0,0|1,0,0]=3 1046 B14R2.1073 COc1cccc2CC(N)CSc21 Amb22230185 [1,0,0,1,0,0|1,1,0]=4 1047 B14R2.1073 COc1cccc2CC(N)CSc21 Amb22755980 [1,0,0,1,0,0|1,1,0]=4 1048 B14R2.1073 COc1cccc2CC(O)=COc12 Amb24657293 [1,0,0,1,0,0|0,0,2]=4 1049 B14R2.1073 COc1cccc2C[C@@H](N)CCc12 Amb20241361 [1,0,0,1,0,0|2,0,0]=4 1050 B14R2.1073 COc1cccc2C[C@@H](N)CCc21 Amb20242480 [1,0,0,1,0,0|2,0,0]=4 1051 B14R2.1073 COc1cccc2C[C@@H](N)CNc21 Amb25034250 [1,0,0,1,0,0|2,0,0]=4 1052 B14R2.1073 COc1cccc2C[C@@H](N)COc12 Amb24488938 [1,0,0,1,0,0|1,0,0]=3 1053 B14R2.1073 COc1cccc2C[C@@H](O)CCc21 Amb25037136 [1,0,0,1,0,0|1,0,0]=3 1054 B14R2.1073 COc1cccc2C[C@@H](O)COc12 Amb25180395 [1,0,0,1,0,0|0,0,0]=2 1055 B14R2.1073 COc1cccc2C[C@H](O)CCc21 Amb25036034 [1,0,0,1,0,0|1,0,0]=3 1056 B14R2.1073 COc1cccc2C[C@H](O)COc12 Amb25120123 [1,0,0,1,0,0|0,0,0]=2 1057 B14R2.1073 COc1cccc2NC(C)CCc12 Amb23412261 [1,0,0,1,0,0|2,0,0]=4 1058 B14R2.1073 COc1cccc2N[C@@H](C)CCc12 Amb24689461 [1,0,0,1,0,0|2,0,0]=4 1059 B14R2.1073 COc1cccc2O[C@@H](N)CCc12 Amb24488816 [1,0,0,1,0,0|2,0,0]=4 1060 B14R2.1073 COc1cccc2SC(C)CNc21 Amb25251591 [1,0,0,1,0,0|1,1,0]=4 1061 B14R2.1073 COc1cccc2c1CCC(C2)N Amb16231533 [1,0,0,1,0,0|2,0,0]=4 1062 B14R2.1073 COc1cccc2c1CCC(C2)N Amb2383256 [1,0,0,1,0,0|2,0,0]=4 1063 B14R2.1073 COc1cccc2c1OCC(=O)C2 Amb15692718 [1,0,0,1,0,0|0,0,2]=4 1064 B14R2.1073 COc1cccc2c1OCC(C2)N Amb2383397 [1,0,0,1,0,0|1,0,0]=3 1065 B14R2.1073 COc1cccc2c1OCC(C2)O Amb15692564 [1,0,0,1,0,0|0,0,0]=2 1066 B14R2.2967 COc1ccccc1C2CC(N)C2 Amb19373541 [1,0,0,1,0,0|2,0,0]=4 1067 B14R2.2967 COc1ccccc1C2CC(O)C2 Amb18180771 [1,0,0,1,0,0|1,0,0]=3 1068 B14R2.5548 CC1(C)COc2c(NC1)cccc2 Amb17570269 [1,0,0,1,0,0|2,0,0]=4 1069 B14R2.5548 CC1(C)COc2ccccc2OC1 Amb23350628 [1,0,0,1,0,0|1,0,0]=3 1070 B14R2.5548 CC1(O)COc2ccccc2OC1 Amb25749309 [1,0,0,1,0,0|0,0,0]=2 1071 B14R2.5548 CP1(=O)COc2c(OC1)cccc2 Amb1145351 [1,0,0,1,0,0|1,0,1]=4 1072 B14R2.6175 C[C@@]1(O)COc2ccccc2C1=O Amb25262681 [1,0,0,1,0,0|2,0,0]=4 1073 B14R2.6175 C[C@]1(O)COc2ccccc2C1=O Amb25730191 [1,0,0,1,0,0|2,0,0]=4 1074 B14R2.11677 COc1cccc2c1CCC2(C)N Amb25721271 [1,0,0,1,0,0|2,0,0]=4 1075 B14R2.11677 COc1cccc2c1NCC2(C)C Amb18063186 [1,0,0,1,0,0|2,0,0]=4 1076 B14R2.256 Cc1ccc[n]c1N2CC(O)CO2 Amb25037377 [1,0,0,1,0,0|2,0,0]=4 1077 B14R2.256 Cc1ccccc1N2CCC(O)C2 Amb23441900 [1,0,0,1,0,0|2,0,0]=4 1078 B14R2.256 OC1CCC(C1)c2ccccc2C Amb17400572 [1,0,0,1,0,0|2,0,0]=4 1079 B14R2.294 Cc1ccccc1OCC2CC2N Amb25707608 [1,0,0,1,0,0|2,0,0]=4 1080 B14R2.664 CC1(CO1)COc2ccccc2Cl Amb24607833 [1,0,0,1,0,0|2,0,0]=4 1081 B14R2.664 Cc1ccccc1CCC2(O)CC2 Amb18184099 [1,0,0,1,0,0|2,0,0]=4 1082 B14R2.664 Cc1ccccc1OCC2(C)CO2 Amb25346595 [1,0,0,1,0,0|1,0,0]=3 1083 B14R2.664 Cc1ccccc1OCC2(N)CC2 Amb24536163 [1,0,0,1,0,0|2,0,0]=4 1084 B14R2.664 Cc1ccccc1SCC2(C)CO2 Amb24380305 [1,0,0,1,0,0|1,1,0]=4 1085 B14R2.741 C[C@H]1Cc2ccccc2CC[C@@H]1O Amb25219300 [1,0,0,1,0,0|2,0,0]=4 1086 B14R2.741 C[C@H]1Nc2ccccc2OC[C@@H]1O Amb24739534 [1,0,0,1,0,0|2,0,0]=4 1087 B14R2.741 OC1Cc2ccccc2CCC1O Amb25788060 [1,0,0,1,0,0|1,0,0]=3 1088 B14R2.972 C=CC(O)C1Cc2ccccc2O1 Amb25755667 [1,0,0,1,0,0|1,0,1]=4 1089 B14R2.972 CCC(O)C1Cc2ccccc2C1 Amb25757543 [1,0,0,1,0,0|2,0,0]=4 1090 B14R2.972 CCC(O)C1Cc2ccccc2N1 Amb25332920 [1,0,0,1,0,0|2,0,0]=4 1091 B14R2.972 CC[C@@H](O)C1Cc2ccccc2C1 Amb25764817 [1,0,0,1,0,0|2,0,0]=4 1092 B14R2.972 CC[C@@H](O)C1Cc2ccccc2O1 Amb24731708 [1,0,0,1,0,0|1,0,0]=3 1093 B14R2.972 CC[C@H](O)C1Cc2ccccc2C1 Amb24639862 [1,0,0,1,0,0|2,0,0]=4 1094 B14R2.972 CC[C@H](O)C1Cc2ccccc2O1 Amb24715065 [1,0,0,1,0,0|1,0,0]=3 1095 B14R2.972 NC(CO)C1Cc2ccccc2C1 Amb25082535 [1,0,0,1,0,0|2,0,0]=4 1096 B14R2.972 NCC(O)C1Cc2ccccc2N1 Amb24429448 [1,0,0,1,0,0|2,0,0]=4 1097 B14R2.972 NCC(O)C1Cc2ccccc2O1 Amb23586297 [1,0,0,1,0,0|1,0,0]=3 1098 B14R2.972 OC(CCl)C1Cc2ccccc2O1 Amb24346705 [1,0,0,1,0,0|1,0,0]=3 1099 B14R2.972 OC(CO)C1Cc2ccccc2O1 Amb24495456 [1,0,0,1,0,0|0,0,0]=2 1100 B14R2.972 OC(CO)C1Nc2ccccc2N1 Amb25858683 [1,0,0,1,0,0|2,0,0]=4 1101 B14R2.972 OCC(O)c1cc2ccccc2o1 Amb25346403 [1,0,0,1,0,0|0,0,2]=4 1102 B14R2.972 O[C@@H](CO)[C@H]1Cc2ccccc2O1 Amb24688288 [1,0,0,1,0,0|0,0,0]=2 1103 B14R2.1158 Cc1ccccc1SC2CC2CO Amb25797086 [1,0,0,1,0,0|1,1,0]=4 1104 B14R2.1158 OCC1CC1Oc2ccccc2Br Amb25672295 [1,0,0,1,0,0|2,0,0]=4 1105 B14R2.1158 OCC1CC1Oc2ccccc2F Amb25119586 [1,0,0,1,0,0|2,0,0]=4 1106 B14R2.1801 Cc1cccc2C=C(CO)COc21 Amb24643566 [1,0,0,1,0,0|1,0,1]=4 1107 B14R2.1801 Cc1cccc2CC(CN)COc21 Amb18195949 [1,0,0,1,0,0|2,0,0]=4 1108 B14R2.1801 Cc1cccc2CC(CO)COc21 Amb25710235 [1,0,0,1,0,0|1,0,0]=3 1109 B14R2.1801 Cc1cccc2NC(CN)COc21 Amb25137315 [1,0,0,1,0,0|2,0,0]=4 1110 B14R2.1801 Cc1cccc2N[C@@H](CO)CCc21 Amb24494838 [1,0,0,1,0,0|2,0,0]=4 1111 B14R2.1801 Cc1cccc2N[C@H](CO)CCc21 Amb25085186 [1,0,0,1,0,0|2,0,0]=4 1112 B14R2.1801 Cc1cccc2OC(CBr)COc21 Amb24490692 [1,0,0,1,0,0|1,0,0]=3 1113 B14R2.1801 Fc1cccc2O[C@@H](CBr)COc21 Amb24407897 [1,0,0,1,0,0|2,0,0]=4 1114 B14R2.1801 NCC1Cc2cccc(O)c2OC1 Amb18824722 [1,0,0,1,0,0|2,0,0]=4 1115 B14R2.1801 Nc1cccc2OC(CO)COc21 Amb25081276 [1,0,0,1,0,0|1,0,0]=3 1116 B14R2.1801 OCC1COc2c(cccc2Cl)N1 Amb25320995 [1,0,0,1,0,0|2,0,0]=4 1117 B14R2.1801 OCC1COc2c(cccc2F)O1 Amb24681819 [1,0,0,1,0,0|1,0,0]=3 1118 B14R2.1801 OCC1Cc2cccc(Cl)c2OC1 Amb25354461 [1,0,0,1,0,0|2,0,0]=4 1119 B14R2.1801 OC[C@H]1COc2c(cccc2F)O1 Amb25097076 [1,0,0,1,0,0|1,0,0]=3 1120 B14R2.1801 Oc1cccc2CC(CCc12)CO Amb18128175 [1,0,0,1,0,0|2,0,0]=4 1121 B14R2.1801 Oc1cccc2CC(COc12)CO Amb18128598 [1,0,0,1,0,0|1,0,0]=3 1122 B14R2.1801 Oc1cccc2NC(CCc12)CO Amb25219882 [1,0,0,1,0,0|2,0,0]=4 1123 B14R2.2973 C=CC1(O)Cc2ccccc2OC1 Amb25027448 [1,0,0,1,0,0|1,0,1]=4 1124 B14R2.2973 CC1(CN)COc2ccccc2O1 Amb22264763 [1,0,0,1,0,0|2,0,0]=4 1125 B14R2.2973 CC1(CO)COc2ccccc2S1 Amb25357700 [1,0,0,1,0,0|1,1,0]=4 1126 B14R2.2973 CCC1(N)Cc2ccccc2OC1 Amb25793962 [1,0,0,1,0,0|2,0,0]=4 1127 B14R2.2973 CCC1(O)Cc2ccccc2CC1 Amb18180606 [1,0,0,1,0,0|2,0,0]=4 1128 B14R2.2973 CCC1(O)Cc2ccccc2OC1 Amb25075056 [1,0,0,1,0,0|1,0,0]=3 1129 B14R2.2973 NC1(CO)Cc2ccccc2CC1 Amb18278470 [1,0,0,1,0,0|2,0,0]=4 1130 B14R2.2973 NCC1(N)Cc2ccccc2OC1 Amb24552233 [1,0,0,1,0,0|2,0,0]=4 1131 B14R2.2973 NCC1(O)Cc2ccccc2CC1 Amb18944137 [1,0,0,1,0,0|2,0,0]=4 1132 B14R2.2973 OCC1(O)COc2ccccc2O1 Amb24733474 [1,0,0,1,0,0|0,0,0]=2 1133 B14R2.2973 OCC1(O)Cc2ccccc2CC1 Amb25142775 [1,0,0,1,0,0|1,0,0]=3 1134 B14R2.4634 Brc1ccccc1OCC2COC2 Amb25846830 [1,0,0,1,0,0|2,0,0]=4 1135 B14R2.4634 Fc1ccccc1OCC2COC2 Amb25056582 [1,0,0,1,0,0|2,0,0]=4 1136 B14R2.4634 Nc1ccccc1OCC2COC2 Amb24754460 [1,0,0,1,0,0|2,0,0]=4 1137 B14R2.4634 Oc1ccccc1OCC2COC2 Amb25178489 [1,0,0,1,0,0|1,0,0]=3 1138 B14R2.5441 Cc1ccccc1C2CC(O)C2C Amb24707441 [1,0,0,1,0,0|2,0,0]=4 1139 B14R2.5632 CC1CNc2c(OC1)c(C)ccc2 Amb17570279 [1,0,0,1,0,0|2,0,0]=4 1140 B14R2.5632 CC1COc2c(Br)cccc2OC1 Amb25314290 [1,0,0,1,0,0|2,0,0]=4 1141 B14R2.5632 CC1COc2c(O)cccc2OC1 Amb24494379 [1,0,0,1,0,0|1,0,0]=3 1142 B14R2.5632 Cc1cccc2OCC(=O)COc21 Amb24686526 [1,0,0,1,0,0|0,0,2]=4 1143 B14R2.5632 Cc1cccc2OCC(O)COc21 Amb25681381 [1,0,0,1,0,0|0,0,0]=2 1144 B14R2.5632 OC1COc2c(OC1)cccc2N Amb17570336 [1,0,0,1,0,0|1,0,0]=3 1145 B14R2.8038 Cc1cccc2C(N)C(O)COc21 Amb25752262 [1,0,0,1,0,0|1,0,0]=3 1146 B14R2.8038 Cc1cccc2C(N)C(O)CSc21 Amb25847875 [1,0,0,1,0,0|1,1,0]=4 1147 B14R2.8038 NC1C(O)COc2c(Br)cccc21 Amb24698661 [1,0,0,1,0,0|2,0,0]=4 1148 B14R2.8038 NC1C(O)COc2c(Cl)cccc21 Amb24344225 [1,0,0,1,0,0|2,0,0]=4 1149 B14R2.8038 NC1CCc2c(cccc2O)C1O Amb18128410 [1,0,0,1,0,0|2,0,0]=4 1150 B14R2.8038 NC1COc2c(cccc2Cl)C1O Amb22585922 [1,0,0,1,0,0|2,0,0]=4 1151 B14R2.8038 NC1COc2c(cccc2F)C1O Amb22585923 [1,0,0,1,0,0|2,0,0]=4 1152 B14R2.8038 Oc1cccc2C(O)C(O)C=Cc12 Amb25191925 [1,0,0,1,0,0|1,0,1]=4 1153 B14R2.8038 Oc1cccc2C(O)C(O)CCc12 Amb18648343 [1,0,0,1,0,0|1,0,0]=3 1154 B14R2.8038 Oc1cccc2[C@H](O)[C@H](O)CCc12 Amb25366522 [1,0,0,1,0,0|1,0,0]=3 1155 B14R2.16843 NCC1(O)CCc2c1cccc2C Amb17088082 [1,0,0,1,0,0|2,0,0]=4 1156 B14R2.35816 CCC(O)CC1Cc2ccccc21 Amb25683595 [1,0,0,1,0,0|2,0,0]=4 1157 B14R2.35816 NC(CC1Cc2ccccc21)CO Amb25375315 [1,0,0,1,0,0|2,0,0]=4 1158 B14R2.95 C#C[C@@H](O)C1COc2ccccc21 Amb24406905 [0,0,0,1,1,0|1,0,1]=4 1159 B14R2.95 C#C[C@H](O)C1COc2ccccc21 Amb25294829 [0,0,0,1,1,0|1,0,1]=4 1160 B14R2.95 CC(CO)C1CCc2ccccc21 Amb24413002 [0,0,0,1,1,0|2,0,0]=4 1161 B14R2.95 CCC(O)C1COc2ccccc21 Amb25073885 [0,0,0,1,1,0|1,0,0]=3 1162 B14R2.95 CC[C@@H](N)C1COc2ccccc21 Amb24703178 [0,0,0,1,1,0|2,0,0]=4 1163 B14R2.95 CC[C@@H](O)C1COc2ccccc21 Amb25717323 [0,0,0,1,1,0|1,0,0]=3 1164 B14R2.95 CC[C@H](O)C1COc2ccccc21 Amb25304897 [0,0,0,1,1,0|1,0,0]=3 1165 B14R2.95 NC(CO)C1CCc2ccccc21 Amb25692204 [0,0,0,1,1,0|2,0,0]=4 1166 B14R2.95 NCC(O)C1CNc2ccccc21 Amb25217989 [0,0,0,1,1,0|2,0,0]=4 1167 B14R2.95 NCC(O)C1COc2ccccc21 Amb23586298 [0,0,0,1,1,0|1,0,0]=3 1168 B14R2.95 N[C@@H](CO)C1CCc2ccccc21 Amb24490605 [0,0,0,1,1,0|2,0,0]=4 1169 B14R2.95 OCC(O)c1coc2ccccc12 Amb25126583 [0,0,0,1,1,0|0,0,2]=4 1170 B14R2.95 OC[C@@H](O)c1coc2ccccc12 Amb24386979 [0,0,0,1,1,0|0,0,2]=4 1171 B14R2.143 NCC1CCOc2ccccc2O1 Amb18263595 [0,0,0,1,1,0|2,0,0]=4 1172 B14R2.143 NCC1Cc2ccccc2OCC1 Amb18195873 [0,0,0,1,1,0|2,0,0]=4 1173 B14R2.143 OCC1Cc2ccccc2CCC1 Amb24466215 [0,0,0,1,1,0|2,0,0]=4 1174 B14R2.287 C[C@@H]1CC[C@H](O)Cc2ccccc21 Amb25369310 [0,0,0,1,1,0|2,0,0]=4 1175 B14R2.391 OC1Cc2ccccc2CCCC1 Amb24718407 [0,0,0,1,1,0|2,0,0]=4 1176 B14R2.1019 CC1CC(CO)Cc2ccccc21 Amb25037454 [0,0,0,1,1,0|2,0,0]=4 1177 B14R2.1019 CC1NC(CO)Cc2ccccc21 Amb25122793 [0,0,0,1,1,0|2,0,0]=4 1178 B14R2.1019 CN1CC(CO)Cc2ccccc12 Amb25271564 [0,0,0,1,1,0|2,0,0]=4 1179 B14R2.1019 CN1C[C@@H](CO)Oc2ccccc12 Amb22757363 [0,0,0,1,1,0|2,0,0]=4 1180 B14R2.1019 CN1C[C@H](CO)Oc2ccccc12 Amb25037116 [0,0,0,1,1,0|2,0,0]=4 1181 B14R2.1019 C[C@H]1N[C@H](CO)Cc2ccccc21 Amb25237551 [0,0,0,1,1,0|2,0,0]=4 1182 B14R2.2968 COc1ccccc1CC2(C)CO2 Amb18184329 [0,0,0,1,1,0|1,0,0]=3 1183 B14R2.2968 COc1ccccc1CC2(O)CC2 Amb18184320 [0,0,0,1,1,0|1,0,0]=3 1184 B14R2.8188 O[C@@H]1[C@@H](O)Cc2ccccc2[C@@H]1O Amb25176683 [0,0,0,1,1,0|2,0,0]=4 1185 B14R2.8188 O[C@H]1[C@H](O)Cc2ccccc2[C@@H]1O Amb24752220 [0,0,0,1,1,0|2,0,0]=4 1186 B14R2.8188 O[C@H]1[C@H](O)Cc2ccccc2[C@H]1O Amb24749608 [0,0,0,1,1,0|2,0,0]=4 1187 B14R2.11645 CC1Cc2c(CC)cccc2C1O Amb24586505 [0,0,0,1,1,0|2,0,0]=4 1188 B14R2.11645 CC1Cc2c(cccc2C1Br)OC Amb24631297 [0,0,0,1,1,0|2,0,0]=4 1189 B14R2.11645 CC1Oc2c(CC)cccc2C1O Amb24415842 [0,0,0,1,1,0|2,0,0]=4 1190 B14R2.11645 CC1Oc2c(cccc2C1N)OC Amb18946101 [0,0,0,1,1,0|2,0,0]=4 1191 B14R2.11645 CC1Oc2c(cccc2C1O)OC Amb24404193 [0,0,0,1,1,0|1,0,0]=3 1192 B14R2.11645 COc1cccc2C(N)C(O)Cc21 Amb18194677 [0,0,0,1,1,0|1,0,0]=3 1193 B14R2.11645 COc1cccc2C(O)C(=C)Oc12 Amb25367221 [0,0,0,1,1,0|1,0,1]=4 1194 B14R2.11645 COc1cccc2C(O)C(N)Cc12 Amb22585770 [0,0,0,1,1,0|1,0,0]=3 1195 B14R2.11645 COc1cccc2c1CC(C2N)C Amb17233301 [0,0,0,1,1,0|2,0,0]=4 1196 B14R2.11645 COc1cccc2c1CC(C2O)N Amb2383060 [0,0,0,1,1,0|1,0,0]=3 1197 B14R2.11647 BrCC1Cc2c(O1)c(OC)ccc2 Amb17040453 [0,0,0,1,1,0|2,0,0]=4 1198 B14R2.11647 COc1cccc2CC(CI)Oc12 Amb23514973 [0,0,0,1,1,0|2,0,0]=4 1199 B14R2.11647 COc1cccc2CC(CN)Cc21 Amb25156159 [0,0,0,1,1,0|2,0,0]=4 1200 B14R2.11647 COc1cccc2CC(CN)Oc12 Amb23586270 [0,0,0,1,1,0|2,0,0]=4 1201 B14R2.11647 COc1cccc2C[C@@H](CO)Nc12 Amb24427446 [0,0,0,1,1,0|2,0,0]=4 1202 B14R2.11647 COc1cccc2C[C@H](CO)Nc12 Amb24494826 [0,0,0,1,1,0|2,0,0]=4 1203 B14R2.11647 COc1cccc2NC(CO)Cc12 Amb24529437 [0,0,0,1,1,0|1,0,0]=3 1204 B14R2.11647 COc1cccc2N[C@@H](CO)Cc12 Amb24534671 [0,0,0,1,1,0|1,0,0]=3 1205 B14R2.11647 COc1cccc2N[C@H](CO)Cc12 Amb25710271 [0,0,0,1,1,0|1,0,0]=3 1206 B14R2.11647 CSc1cccc2N[C@@H](CO)Cc12 Amb25768552 [0,0,0,1,1,0|1,1,0]=4 1207 B14R2.11647 CSc1cccc2N[C@H](CO)Cc12 Amb25816164 [0,0,0,1,1,0|1,1,0]=4 1208 B14R2.11684 COc1cccc2CC[C@@H](N)Cc21 Amb19888385 [0,0,0,1,1,0|2,0,0]=4 1209 B14R2.11684 COc1cccc2CC[C@H](N)Cc21 Amb25849243 [0,0,0,1,1,0|2,0,0]=4 1210 B14R2.11684 COc1cccc2CC[C@H](O)Cc21 Amb25284338 [0,0,0,1,1,0|1,0,0]=3 1211 B14R2.11684 COc1cccc2NCC(F)Cc12 Amb25238530 [0,0,0,1,1,0|2,0,0]=4 1212 B14R2.11684 COc1cccc2NC[C@H](N)Cc12 Amb25126845 [0,0,0,1,1,0|2,0,0]=4 1213 B14R2.11684 COc1cccc2OCC(N)Cc12 Amb18128425 [0,0,0,1,1,0|1,0,0]=3 1214 B14R2.11684 COc1cccc2OCC(N)Cc12 Amb21964615 [0,0,0,1,1,0|1,0,0]=3 1215 B14R2.11684 COc1cccc2OC[C@@H](N)Cc12 Amb20242988 [0,0,0,1,1,0|1,0,0]=3 1216 B14R2.11684 COc1cccc2OC[C@H](N)Cc12 Amb20242974 [0,0,0,1,1,0|1,0,0]=3 1217 B14R2.11684 COc1cccc2SCC(N)Cc21 Amb18130216 [0,0,0,1,1,0|1,1,0]=4 1218 B14R2.11684 COc1cccc2c1CC(=O)CO2 Amb15692698 [0,0,0,1,1,0|0,0,2]=4 1219 B16R2.26 COc1ccccc1N2CCC(CC2)O Amb17239319 [0,0,0,1,0,1|2,0,0]=4 1220 B16R2.2347 COc1ccccc1C2CC(CO)CN2 Amb23590812 [0,0,0,1,0,1|2,0,0]=4 1221 B16R2.2347 COc1ccccc1C2CCC(CI)O2 Amb24470406 [0,0,0,1,0,1|2,0,0]=4 1222 B16R2.2347 ClCC1COC(O1)c2ccccc2OC Amb17104735 [0,0,0,1,0,1|1,0,0]=3 1223 B16R2.5347 OCC(CN1CCc2c(C1)cccc2)O Amb17338779 [0,0,0,1,0,1|2,0,0]=4 1224 B16R2.36789 COc1[n]ccc2c1COC[C@]2(O)CC Amb24068612 [0,0,0,1,0,1|2,0,0]=4 1225 B16R2.36789 NCC1(O)CCOc2c1cccc2CC Amb17239357 [0,0,0,1,0,1|2,0,0]=4 1226 B16R2.36789 NCC1(O)CCOc2c1cccc2OC Amb17240219 [0,0,0,1,0,1|1,0,0]=3 1227 B16R2.36836 COc1cccc2C(O)C(N)CCCc12 Amb22586229 [0,0,0,1,0,1|2,0,0]=4 1228 B16R2.36909 COc1cccc2CC(CN)CCOc12 Amb18778892 [0,0,0,1,0,1|2,0,0]=4 1229 B16R2.36806 COc1cccc2c1OCC(C2)C(=O)O Amb1109943 [0,1,0,1,0,0|1,0,1]=4 1230 B16R2.33648 OCC(COc1cccc2c1cc[nH]2)O Amb17616077 [0,1,0,1,0,0|1,0,1]=4 1231 B16R2.170412 OCC(CN1CCCc2c1cccc2)O Amb17338780 [0,1,0,1,0,0|2,0,0]=4 1232 B16R2.5 NOCC(CN1CCc2c1cccc2)O Amb17140303 [0,1,0,1,0,0|2,0,0]=4 1233 B16R2.619 COc1cccc2CC(COc12)CCN Amb18778897 [0,1,0,1,0,0|2,0,0]=4 1234 B16R2.767 CNCC(O)C1CCc2ccccc2O1 Amb23437973 [0,1,0,1,0,0|2,0,0]=4 1235 B16R2.767 NC(CCO)C1COc2ccccc2O1 Amb22296983 [0,1,0,1,0,0|1,0,0]=3 1236 B16R2.767 OC(CCO)C1COc2ccccc2O1 Amb22298371 [0,1,0,1,0,0|0,0,0]=2 1237 B16R2.1480 CCc1ccccc1OCC2OCCO2 Amb17239795 [0,1,0,1,0,0|2,0,0]=4 1238 B16R2.1480 CNc1ccccc1OCC2CCCO2 Amb20138974 [0,1,0,1,0,0|2,0,0]=4 1239 B16R2.1480 COc1ccccc1NCC2OCCO2 Amb25358809 [0,1,0,1,0,0|2,0,0]=4 1240 B16R2.1480 COc1ccccc1OCC2CNCC2 Amb21956855 [0,1,0,1,0,0|2,0,0]=4 1241 B16R2.1480 COc1ccccc1OCC2NCCS2 Amb22438989 [0,1,0,1,0,0|1,1,0]=4 1242 B16R2.1480 COc1ccccc1OCC2OCCO2 Amb17240540 [0,1,0,1,0,0|1,0,0]=3 1243 B16R2.1480 COc1ccccc1OC[C@@H]2CCCN2 Amb17051837 [0,1,0,1,0,0|2,0,0]=4 1244 B16R2.2451 COc1ccccc1CC2CCCC2O Amb22059016 [0,1,0,1,0,0|2,0,0]=4 1245 B16R2.2451 COc1ccccc1OC2COCC2N Amb23590772 [0,1,0,1,0,0|1,0,0]=3 1246 B16R2.7888 COc1ccccc1C2CC2(CN)CO Amb19036995 [0,1,0,1,0,0|2,0,0]=4 1247 B16R2.36807 COc1cccc2C(O)C(CN)CNc12 Amb23586188 [0,1,0,1,0,0|2,0,0]=4 1248 B16R2.47435 OCC1(CO)COc2c(C1=O)cccc2 Amb2427368 [0,1,0,1,0,0|2,0,0]=4 1249 B16R2.36854 COc1cccc2C(O)C(N)CN(C)c12 Amb23586201 [0,1,0,1,0,0|2,0,0]=4 1250 B16R2.7927 COc1cc(Br)cc2CC(COc12)CN Amb22754306 [0,1,0,1,0,0|2,0,0]=4 1251 B16R2.33799 NCC(C1CCc2c(O1)ccc(c2)F)O Amb17608165 [0,1,0,1,0,0|2,0,0]=4 1252 B16R2.33799 NCC([C@@H]1CCc2c(O1)ccc(c2)F)O Amb17608166 [0,1,0,1,0,0|2,0,0]=4 1253 B16R2.33799 OCC(C1CCc2c(O1)ccc(c2)F)O Amb17612933 [0,1,0,1,0,0|1,0,0]=3 1254 B16R2.33799 OCC([C@@H]1CCc2c(O1)ccc(c2)F)O Amb17612932 [0,1,0,1,0,0|1,0,0]=3 1255 B16R2.33799 OC[C@@H](C1CCc2c(O1)ccc(c2)F)O Amb17612930 [0,1,0,1,0,0|1,0,0]=3 1256 B16R2.33799 OC[C@@H]([C@@H]1CCc2c(O1)ccc(c2)F)O Amb17612931 [0,1,0,1,0,0|1,0,0]=3 1257 B16R2.39957 COc1cc(N)ccc1OCC2CCC2 Amb23575720 [0,1,0,1,0,0|2,0,0]=4 1258 B16R3.34321 OC1C(O)CC2CCc3cccc1c32 Amb24748258 [0,0,0,2,0,0|2,0,0]=4 1259 B16R3.1011 OC[C@@H]1O[C@@H]2C[C@H]1Nc3ccccc32 Amb24512037 [0,0,0,2,0,0|2,0,0]=4 1260 B16R3.992 OCC1CC12CCc3ccccc3O2 Amb24615432 [0,0,0,2,0,0|2,0,0]=4 1261 B16R3.992 OCC1CC12Cc3ccccc3OC2 Amb24715015 [0,0,0,2,0,0|2,0,0]=4 1262 B16R3.992 OC[C@@H]1C[C@]12CCc3ccccc3O2 Amb24520138 [0,0,0,2,0,0|2,0,0]=4 1263 B16R3.2641 O[C@@H]1CO[C@@H]2C[C@H]1Oc3ccccc32 Amb24520064 [0,0,0,2,0,0|1,0,0]=3 1264 B16R3.2641 O[C@@H]1CO[C@H]2C[C@@H]1Nc3ccccc32 Amb24513024 [0,0,0,2,0,0|2,0,0]=4 1265 B16R3.2641 O[C@H]1CO[C@@H]2C[C@H]1Nc3ccccc32 Amb25360964 [0,0,0,2,0,0|2,0,0]=4 1266 B16R3.11647 OC1(CC1)C2Cc3ccccc3OC2 Amb19072946 [0,0,0,2,0,0|2,0,0]=4 1267 B12R1.75 CC(O)Cc1ccccc1C#N Amb24474257 [1,0,0,0,1,0|2,0,0]=4 1268 B12R1.75 CCc1ccccc1CC(C)N Amb18798244 [1,0,0,0,1,0|2,0,0]=4 1269 B12R1.75 CCc1ccccc1C[C@@H](C)N Amb24524719 [1,0,0,0,1,0|2,0,0]=4 1270 B12R1.75 CCc1ccccc1OC(C)Cl Amb24565700 [1,0,0,0,1,0|2,0,0]=4 1271 B12R1.75 CN(N)Cc1ccccc1OC Amb18563733 [1,0,0,0,1,0|2,0,0]=4 1272 B12R1.75 CNc1ccccc1CC(C)C Amb24689146 [1,0,0,0,1,0|2,0,0]=4 1273 B12R1.75 CNc1ccccc1OC(C)C Amb17138597 [1,0,0,0,1,0|2,0,0]=4 1274 B12R1.75 COc1[n]cccc1C[C@@H](C)O Amb22896932 [1,0,0,0,1,0|1,0,0]=3 1275 B12R1.75 COc1cc[n]cc1OC(C)C Amb25221929 [1,0,0,0,1,0|2,0,0]=4 1276 B12R1.75 COc1ccccc1CC(=O)O Amb2209376 [1,0,0,0,1,0|0,0,2]=4 1277 B12R1.75 COc1ccccc1CC(C)Br Amb24341666 [1,0,0,0,1,0|1,0,0]=3 1278 B12R1.75 COc1ccccc1CC(C)S Amb18321706 [1,0,0,0,1,0|0,1,0]=3 1279 B12R1.75 COc1ccccc1CC(Cl)C Amb17477586 [1,0,0,0,1,0|1,0,0]=3 1280 B12R1.75 COc1ccccc1CP(O)=O Amb25850733 [1,0,0,0,1,0|1,0,1]=4 1281 B12R1.75 COc1ccccc1C[C@@H](N)C Amb13952976 [1,0,0,0,1,0|1,0,0]=3 1282 B12R1.75 COc1ccccc1C[C@@H](O)C Amb13952973 [1,0,0,0,1,0|0,0,0]=2 1283 B12R1.75 COc1ccccc1C[C@H](N)C Amb13952975 [1,0,0,0,1,0|1,0,0]=3 1284 B12R1.75 COc1ccccc1C[C@H](O)C Amb13952974 [1,0,0,0,1,0|0,0,0]=2 1285 B12R1.75 COc1ccccc1OC(F)F Amb17232988 [1,0,0,0,1,0|2,0,0]=4 1286 B12R1.75 COc1ccccc1SC(C)C Amb24659908 [1,0,0,0,1,0|1,1,0]=4 1287 B12R1.75 CSc1ccccc1C[C@@H](C)N Amb25039285 [1,0,0,0,1,0|1,1,0]=4 1288 B12R1.75 CSc1ccccc1C[C@H](C)N Amb25835778 [1,0,0,0,1,0|1,1,0]=4 1289 B12R1.353 Cc1c[s]cc1NC[C@H](O)CO Amb25347698 [1,0,0,0,1,0|2,0,0]=4 1290 B12R1.371 BrCC(Oc1ccccc1C)C Amb17248431 [1,0,0,0,1,0|2,0,0]=4 1291 B12R1.371 CC(CCl)Oc1ccccc1O Amb24096843 [1,0,0,0,1,0|2,0,0]=4 1292 B12R1.371 CC(CO)Cc1ccccc1Br Amb25208316 [1,0,0,0,1,0|2,0,0]=4 1293 B12R1.371 CC(CO)Cc1ccccc1Cl Amb25039912 [1,0,0,0,1,0|2,0,0]=4 1294 B12R1.371 CC(CO)Oc1ccccc1I Amb25828459 [1,0,0,0,1,0|2,0,0]=4 1295 B12R1.371 CC(CO)Oc1ccccc1O Amb24559693 [1,0,0,0,1,0|1,0,0]=3 1296 B12R1.371 CCC(Cc1ccccc1C)Cl Amb17477425 [1,0,0,0,1,0|2,0,0]=4 1297 B12R1.371 CCC(Cc1ccccc1C)O Amb17138581 [1,0,0,0,1,0|1,0,0]=3 1298 B12R1.371 CCC(Cc1ccccc1Cl)O Amb17139101 [1,0,0,0,1,0|2,0,0]=4 1299 B12R1.371 CCC(Cc1ccccc1F)O Amb17138635 [1,0,0,0,1,0|2,0,0]=4 1300 B12R1.371 CCC(O)Cc1ccccc1Br Amb24465632 [1,0,0,0,1,0|2,0,0]=4 1301 B12R1.371 CCC(O)Cc1ccccc1N Amb25335274 [1,0,0,0,1,0|2,0,0]=4 1302 B12R1.371 C[C@@H](CO)Oc1ccccc1Cl Amb24407533 [1,0,0,0,1,0|2,0,0]=4 1303 B12R1.371 C[C@@H](CO)Oc1ccccc1I Amb22746638 [1,0,0,0,1,0|2,0,0]=4 1304 B12R1.371 C[C@@H](Cc1ccccc1O)CO Amb24633514 [1,0,0,0,1,0|1,0,0]=3 1305 B12R1.371 C[C@H](CO)Cc1ccccc1Cl Amb25157925 [1,0,0,0,1,0|2,0,0]=4 1306 B12R1.371 C[C@H](CO)Cc1ccccc1F Amb25837933 [1,0,0,0,1,0|2,0,0]=4 1307 B12R1.371 C[C@H](CO)Oc1ccccc1I Amb25150105 [1,0,0,0,1,0|2,0,0]=4 1308 B12R1.371 C[C@H](Cc1ccccc1O)CO Amb25094364 [1,0,0,0,1,0|1,0,0]=3 1309 B12R1.371 Cc1c[n]ccc1CC(N)CO Amb24549921 [1,0,0,0,1,0|2,0,0]=4 1310 B12R1.371 Cc1ccc[n]c1CC(N)CO Amb25751493 [1,0,0,0,1,0|2,0,0]=4 1311 B12R1.371 Cc1ccc[n]c1CC(O)CC Amb24415938 [1,0,0,0,1,0|2,0,0]=4 1312 B12R1.371 Cc1ccccc1CC(=O)CO Amb18563611 [1,0,0,0,1,0|0,0,2]=4 1313 B12R1.371 Cc1ccccc1CC(C)CBr Amb25733982 [1,0,0,0,1,0|2,0,0]=4 1314 B12R1.371 Cc1ccccc1CC(C)CO Amb25152371 [1,0,0,0,1,0|1,0,0]=3 1315 B12R1.371 Cc1ccccc1CC(F)CN Amb24745160 [1,0,0,0,1,0|2,0,0]=4 1316 B12R1.371 Cc1ccccc1CC(O)C#C Amb25764953 [1,0,0,0,1,0|1,0,1]=4 1317 B12R1.371 Cc1ccccc1CC(O)C=O Amb25789140 [1,0,0,0,1,0|0,0,2]=4 1318 B12R1.371 Cc1ccccc1CC(O)CCl Amb25258048 [1,0,0,0,1,0|1,0,0]=3 1319 B12R1.371 Cc1ccccc1CC(O)CO Amb24615514 [1,0,0,0,1,0|0,0,0]=2 1320 B12R1.371 Cc1ccccc1C[C@@H](N)CC Amb24410901 [1,0,0,0,1,0|2,0,0]=4 1321 B12R1.371 Cc1ccccc1C[C@H](O)CC Amb25157887 [1,0,0,0,1,0|1,0,0]=3 1322 B12R1.371 Cc1ccccc1NC(C)CO Amb18971809 [1,0,0,0,1,0|2,0,0]=4 1323 B12R1.371 Cc1ccccc1OC(Cl)CCl Amb25141618 [1,0,0,0,1,0|2,0,0]=4 1324 B12R1.371 Cc1ccccc1SC(O)CC Amb22228394 [1,0,0,0,1,0|1,1,0]=4 1325 B12R1.371 ClCC(Oc1ccccc1C)C Amb17234168 [1,0,0,0,1,0|2,0,0]=4 1326 B12R1.371 N=C1C=CC=CN1CC(O)CO Amb24475826 [1,0,0,0,1,0|2,0,0]=4 1327 B12R1.371 NC(CO)Cc1ccccc1Br Amb18747032 [1,0,0,0,1,0|2,0,0]=4 1328 B12R1.371 NC(CO)Cc1ccccc1I Amb25200271 [1,0,0,0,1,0|2,0,0]=4 1329 B12R1.371 NC(Cc1ccccc1O)CO Amb18827210 [1,0,0,0,1,0|1,0,0]=3 1330 B12R1.371 NCC(Cc1ccccc1C)O Amb17232545 [1,0,0,0,1,0|1,0,0]=3 1331 B12R1.371 NCC(Cc1ccccc1Cl)O Amb17234263 [1,0,0,0,1,0|2,0,0]=4 1332 B12R1.371 NCC(Cc1ccccc1F)O Amb17232700 [1,0,0,0,1,0|2,0,0]=4 1333 B12R1.371 NCC(O)Cc1ccccc1Br Amb18069447 [1,0,0,0,1,0|2,0,0]=4 1334 B12R1.371 N[C@@H](CO)Cc1ccccc1Cl Amb25106847 [1,0,0,0,1,0|2,0,0]=4 1335 B12R1.371 N[C@@H](CO)Cc1ccccc1F Amb25331070 [1,0,0,0,1,0|2,0,0]=4 1336 B12R1.371 N[C@H](CO)Cc1ccccc1Br Amb24424605 [1,0,0,0,1,0|2,0,0]=4 1337 B12R1.371 N[C@H](CO)Cc1ccccc1Cl Amb22233157 [1,0,0,0,1,0|2,0,0]=4 1338 B12R1.371 N[C@H](CO)Cc1ccccc1F Amb25308478 [1,0,0,0,1,0|2,0,0]=4 1339 B12R1.371 Nc1ccccc1CC(N)CO Amb25712145 [1,0,0,0,1,0|2,0,0]=4 1340 B12R1.371 Nc1ccccc1C[C@H](N)CO Amb22233158 [1,0,0,0,1,0|2,0,0]=4 1341 B12R1.371 OC(Cc1ccccc1F)CCl Amb24355863 [1,0,0,0,1,0|2,0,0]=4 1342 B12R1.371 OCC(Cc1ccccc1C)N Amb17062685 [1,0,0,0,1,0|1,0,0]=3 1343 B12R1.371 OCC(Cc1ccccc1Cl)N Amb17062694 [1,0,0,0,1,0|2,0,0]=4 1344 B12R1.371 OCC(Cc1ccccc1F)N Amb17062688 [1,0,0,0,1,0|2,0,0]=4 1345 B12R1.371 OCC(O)CN1C=CC=CC1=O Amb25817247 [1,0,0,0,1,0|1,0,1]=4 1346 B12R1.371 OCC(Oc1ccccc1Br)C Amb17249276 [1,0,0,0,1,0|2,0,0]=4 1347 B12R1.371 OCC(Oc1ccccc1C)C Amb17232600 [1,0,0,0,1,0|1,0,0]=3 1348 B12R1.371 OCC(Oc1ccccc1Cl)C Amb17234356 [1,0,0,0,1,0|2,0,0]=4 1349 B12R1.371 OCC(Oc1ccccc1F)C Amb17232739 [1,0,0,0,1,0|2,0,0]=4 1350 B12R1.77 BrCC(c1ccccc1OC)C Amb17248428 [0,0,0,0,2,0|2,0,0]=4 1351 B12R1.77 BrCC(c1ccccc1OC)O Amb17206128 [0,0,0,0,2,0|1,0,0]=3 1352 B12R1.77 CCC(N)c1ccccc1OC Amb22276944 [0,0,0,0,2,0|2,0,0]=4 1353 B12R1.77 CCC(O)c1[n]cccc1OC Amb24397518 [0,0,0,0,2,0|2,0,0]=4 1354 B12R1.77 CCC(O)c1ccc[n]c1OC Amb25036288 [0,0,0,0,2,0|2,0,0]=4 1355 B12R1.77 CCC(O)c1ccccc1SC Amb24445762 [0,0,0,0,2,0|1,1,0]=4 1356 B12R1.77 CCC(c1ccccc1OC)Cl Amb17139100 [0,0,0,0,2,0|2,0,0]=4 1357 B12R1.77 CCC(c1ccccc1OC)N Amb1130946 [0,0,0,0,2,0|2,0,0]=4 1358 B12R1.77 CC[C@@H](N)c1ccccc1OC Amb22284332 [0,0,0,0,2,0|2,0,0]=4 1359 B12R1.77 CC[C@@H](N)c1ccccc1OC Amb22298518 [0,0,0,0,2,0|2,0,0]=4 1360 B12R1.77 CC[C@@H](O)c1ccccc1OC Amb25719888 [0,0,0,0,2,0|1,0,0]=3 1361 B12R1.77 CC[C@@H](O)c1ccccc1SC Amb25035059 [0,0,0,0,2,0|1,1,0]=4 1362 B12R1.77 CC[C@H](N)c1ccccc1OC Amb22298561 [0,0,0,0,2,0|2,0,0]=4 1363 B12R1.77 CC[C@H](N)c1ccccc1OC Amb24431089 [0,0,0,0,2,0|2,0,0]=4 1364 B12R1.77 CC[C@H](O)c1ccccc1CC Amb25136329 [0,0,0,0,2,0|2,0,0]=4 1365 B12R1.77 CCc1ccccc1C(N)CO Amb18298043 [0,0,0,0,2,0|2,0,0]=4 1366 B12R1.77 CCc1ccccc1C(O)CN Amb18991061 [0,0,0,0,2,0|2,0,0]=4 1367 B12R1.77 CCc1ccccc1[C@@H](C)CO Amb25057871 [0,0,0,0,2,0|2,0,0]=4 1368 B12R1.77 CCc1ccccc1[C@@H](N)CO Amb24732257 [0,0,0,0,2,0|2,0,0]=4 1369 B12R1.77 CCc1ccccc1[C@H](N)CO Amb25836785 [0,0,0,0,2,0|2,0,0]=4 1370 B12R1.77 COc1[n]cccc1C(N)CO Amb25727735 [0,0,0,0,2,0|2,0,0]=4 1371 B12R1.77 COc1[n]cccc1[C@@H](N)CO Amb25328570 [0,0,0,0,2,0|2,0,0]=4 1372 B12R1.77 COc1[n]cccc1[C@H](N)CO Amb25326364 [0,0,0,0,2,0|2,0,0]=4 1373 B12R1.77 COc1cc[n]cc1C(O)CN Amb25801151 [0,0,0,0,2,0|2,0,0]=4 1374 B12R1.77 COc1cc[n]cc1[C@@H](N)CO Amb25074477 [0,0,0,0,2,0|2,0,0]=4 1375 B12R1.77 COc1cc[n]cc1[C@H](N)CO Amb25073994 [0,0,0,0,2,0|2,0,0]=4 1376 B12R1.77 COc1ccc[n]c1C(N)CO Amb25152308 [0,0,0,0,2,0|2,0,0]=4 1377 B12R1.77 COc1ccc[n]c1[C@H](N)CO Amb25053324 [0,0,0,0,2,0|2,0,0]=4 1378 B12R1.77 COc1ccccc1C(=C)CO Amb25156769 [0,0,0,0,2,0|1,0,1]=4 1379 B12R1.77 COc1ccccc1C(=O)CO Amb18800999 [0,0,0,0,2,0|0,0,2]=4 1380 B12R1.77 COc1ccccc1C(C)NO Amb24417492 [0,0,0,0,2,0|2,0,0]=4 1381 B12R1.77 COc1ccccc1C(F)CN Amb24760875 [0,0,0,0,2,0|2,0,0]=4 1382 B12R1.77 COc1ccccc1C(N)CO Amb19515359 [0,0,0,0,2,0|1,0,0]=3 1383 B12R1.77 COc1ccccc1C(O)C=O Amb25107227 [0,0,0,0,2,0|0,0,2]=4 1384 B12R1.77 COc1ccccc1C(O)CF Amb24513945 [0,0,0,0,2,0|1,0,0]=3 1385 B12R1.77 COc1ccccc1C(O)CO Amb18563838 [0,0,0,0,2,0|0,0,0]=2 1386 B12R1.77 COc1ccccc1[C@@H](N)CF Amb25315413 [0,0,0,0,2,0|2,0,0]=4 1387 B12R1.77 COc1ccccc1[C@@H](N)CN Amb25669586 [0,0,0,0,2,0|2,0,0]=4 1388 B12R1.77 COc1ccccc1[C@@H](N)CO Amb25148582 [0,0,0,0,2,0|1,0,0]=3 1389 B12R1.77 COc1ccccc1[C@@H](O)C#C Amb25706094 [0,0,0,0,2,0|1,0,1]=4 1390 B12R1.77 COc1ccccc1[C@@H](O)CCl Amb24650978 [0,0,0,0,2,0|1,0,0]=3 1391 B12R1.77 COc1ccccc1[C@@H](O)CN Amb24485476 [0,0,0,0,2,0|1,0,0]=3 1392 B12R1.77 COc1ccccc1[C@@H](O)CO Amb25135592 [0,0,0,0,2,0|0,0,0]=2 1393 B12R1.77 COc1ccccc1[C@H](C)NO Amb24437309 [0,0,0,0,2,0|2,0,0]=4 1394 B12R1.77 COc1ccccc1[C@H](N)CN Amb24715585 [0,0,0,0,2,0|2,0,0]=4 1395 B12R1.77 COc1ccccc1[C@H](O)C#N Amb24354434 [0,0,0,0,2,0|1,0,1]=4 1396 B12R1.77 COc1ccccc1[C@H](O)CN Amb25805339 [0,0,0,0,2,0|1,0,0]=3 1397 B12R1.77 CSc1ccccc1[C@@H](N)CO Amb25149782 [0,0,0,0,2,0|1,1,0]=4 1398 B12R1.77 ClCC(c1ccccc1OC)C Amb17234159 [0,0,0,0,2,0|2,0,0]=4 1399 B12R1.77 ClCC(c1ccccc1OC)O Amb17234352 [0,0,0,0,2,0|1,0,0]=3 1400 B12R1.77 NCC(c1ccccc1OC)O Amb10068896 [0,0,0,0,2,0|1,0,0]=3 1401 B12R1.77 NCC(c1ccccc1OC)O Amb1108022 [0,0,0,0,2,0|1,0,0]=3 1402 B12R1.77 OCC(c1ccccc1OC)C Amb17232593 [0,0,0,0,2,0|1,0,0]=3 1403 B12R1.77 OCC(c1ccccc1OC)N Amb2236320 [0,0,0,0,2,0|1,0,0]=3 1404 B16R1.3910 COc1ccccc1OCCNC(C)CC Amb20204568 [0,0,0,0,0,2|2,0,0]=4 1405 B16R1.3910 OCC(=O)NCCOc1ccccc1OC Amb17406697 [0,0,0,0,0,2|0,0,2]=4