0 B13R1.42 BrCCC(=O)NCc1ccccc1 Amb17084003 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.42 C/C=C/C(=O)NNc1ccccc1 Amb17777823 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.42 C=C=CC(=O)\C=C\c1ccccc1 Amb24724007 [0,0,0,0,0,0|1,0,2]=3 3 B13R1.42 C=COC(=O)CCc1ccccc1 Amb21858909 [0,0,0,0,0,0|0,0,4]=4 4 B13R1.42 C=COC(=O)\C=C\c1ccccc1 Amb10807746 [0,0,0,0,0,0|0,0,2]=2 5 B13R1.42 CC#CC(=O)CCc1ccccc1 Amb17619342 [0,0,0,0,0,0|1,0,3]=4 6 B13R1.42 CC#CC(=O)\C=C\c1ccccc1 Amb24580491 [0,0,0,0,0,0|1,0,1]=2 7 B13R1.42 CCCC(=O)C#Cc1ccccc1 Amb17594320 [0,0,0,0,0,0|1,0,2]=3 8 B13R1.42 CCCC(=O)NNc1c[n]ccc1 Amb25098278 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.42 CCCC(=O)NNc1cccc[n]1 Amb24705336 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.42 CCCC(=S)NCc1ccccc1 Amb25835568 [0,0,0,0,0,0|2,1,1]=4 11 B13R1.42 CCNC(=N)NCc1ccccc1 Amb18804667 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.42 CCNC(=O)NCc1c[n]ccc1 Amb25208970 [0,0,0,0,0,0|3,0,1]=4 13 B13R1.42 CCNC(=O)NCc1cc[n]cc1 Amb24383174 [0,0,0,0,0,0|3,0,1]=4 14 B13R1.42 CCNC(=O)NCc1cccc[n]1 Amb25240069 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.42 CCNC(=O)NCc1ccccc1 Amb2236980 [0,0,0,0,0,0|2,0,1]=3 16 B13R1.42 CCNC(=O)NNc1ccccc1 Amb24710661 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.42 CCNC(=O)OCc1ccccc1 Amb24375743 [0,0,0,0,0,0|2,0,1]=3 18 B13R1.42 CCNC(=O)\C=C\c1ccc[n]c1 Amb25821659 [0,0,0,0,0,0|2,0,0]=2 19 B13R1.42 CCNC(=S)\C=C\c1ccccc1 Amb24606964 [0,0,0,0,0,0|1,1,0]=2 20 B13R1.42 CCOC(=N)CCc1cc[n]cc1 Amb24094201 [0,0,0,0,0,0|2,0,2]=4 21 B13R1.42 CCOC(=N)CCc1ccc[n]c1 Amb24094202 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.42 CCOC(=N)CCc1cccc[n]1 Amb24094195 [0,0,0,0,0,0|2,0,2]=4 23 B13R1.42 CCOC(=O)C#Cc1c[n]c[n]c1 Amb24668597 [0,0,0,0,0,0|2,0,2]=4 24 B13R1.42 CCOC(=O)C#Cc1cccc[n]1 Amb24494363 [0,0,0,0,0,0|1,0,2]=3 25 B13R1.42 CCOC(=O)CCc1[n]ccc[n]1 Amb24061350 [0,0,0,0,0,0|2,0,2]=4 26 B13R1.42 CCOC(=O)CCc1c[n]c[n]c1 Amb23571325 [0,0,0,0,0,0|2,0,2]=4 27 B13R1.42 CCOC(=O)CNc1ccc[n]c1 Amb24180824 [0,0,0,0,0,0|2,0,1]=3 28 B13R1.42 CCOC(=O)CNc1cccc[n]1 Amb18181060 [0,0,0,0,0,0|2,0,1]=3 29 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [0,0,0,0,0,0|1,0,1]=2 30 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [0,0,0,0,0,0|1,0,1]=2 31 B13R1.42 CCOC(=O)COc1cccc[n]1 Amb22493952 [0,0,0,0,0,0|2,0,1]=3 32 B13R1.42 CCOC(=O)CSc1cc[n]cc1 Amb24103490 [0,0,0,0,0,0|2,0,1]=3 33 B13R1.42 CCOC(=O)CSc1ccc[n]c1 Amb24103483 [0,0,0,0,0,0|2,0,1]=3 34 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [0,0,0,0,0,0|1,0,1]=2 35 B13R1.42 CCOC(=O)NCc1c[n]cc[n]1 Amb24103463 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.42 CCOC(=O)NCc1ccccn1 Amb10553732 [0,0,0,0,0,0|2,0,1]=3 37 B13R1.42 CCOC(=O)NNc1c[n]cc[n]1 Amb24673279 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.42 CCOC(=O)NNc1cc[n]cc1 Amb24530140 [0,0,0,0,0,0|3,0,0]=3 39 B13R1.42 CCOC(=O)NNc1cccc[n]1 Amb25681252 [0,0,0,0,0,0|3,0,0]=3 40 B13R1.42 CCOC(=O)NSc1cccc[n]1 Amb24103464 [0,0,0,0,0,0|3,0,0]=3 41 B13R1.42 CCOC(=O)\C=C/c1ccccc1 Amb17613997 [0,0,0,0,0,0|0,0,0]=0 42 B13R1.42 CCOC(=O)\C=C\c1c[n]c[n]c1 Amb23571324 [0,0,0,0,0,0|2,0,0]=2 43 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb15695131 [0,0,0,0,0,0|1,0,0]=1 44 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [0,0,0,0,0,0|1,0,0]=1 45 B13R1.42 CCOC(=S)NCc1ccccc1 Amb25313123 [0,0,0,0,0,0|1,1,1]=3 46 B13R1.42 CCOC(=S)SCc1ccccc1 Amb10560707 [0,0,0,0,0,0|1,1,1]=3 47 B13R1.42 CCO\C(\N)=N\Cc1ccccc1 Amb25138606 [0,0,0,0,0,0|2,0,1]=3 48 B13R1.42 CCSC(=N)NCc1ccccc1 Amb24399348 [0,0,0,0,0,0|2,1,1]=4 49 B13R1.42 CCSC(=S)NCc1ccccc1 Amb24490280 [0,0,0,0,0,0|1,2,1]=4 50 B13R1.42 CCSC(=S)NNc1ccccc1 Amb25218192 [0,0,0,0,0,0|2,2,0]=4 51 B13R1.42 CNCC(=O)C#Cc1ccccc1 Amb24383348 [0,0,0,0,0,0|2,0,2]=4 52 B13R1.42 CNCC(=O)NCc1ccccc1 Amb21959039 [0,0,0,0,0,0|3,0,1]=4 53 B13R1.42 CNCC(=O)NNc1ccccc1 Amb24735727 [0,0,0,0,0,0|4,0,0]=4 54 B13R1.42 CNCC(=O)OCc1ccccc1 Amb18809175 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.42 CNCC(=O)OCc1ccccc1 Amb21929370 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.42 CNCC(=O)OCc1ccccc1 Amb22002169 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.42 COCC(=O)CCc1ccccc1 Amb10563175 [0,0,0,0,0,0|2,0,2]=4 58 B13R1.42 COCC(=O)NNc1ccccc1 Amb25052871 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.42 CONC(=O)CCc1ccccc1 Amb10705059 [0,0,0,0,0,0|2,0,2]=4 60 B13R1.42 CONC(=O)NCc1ccccc1 Amb16969954 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.42 CONC(=O)OCc1ccccc1 Amb16969956 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.42 CONC(=O)\C=C\c1cc[n]cc1 Amb24450719 [0,0,0,0,0,0|3,0,0]=3 63 B13R1.42 CSCC(=O)C#Cc1ccccc1 Amb24440307 [0,0,0,0,0,0|2,0,2]=4 64 B13R1.42 CSCC(=O)NCc1ccccc1 Amb19382179 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.42 CSCC(=O)NNc1ccccc1 Amb25145264 [0,0,0,0,0,0|4,0,0]=4 66 B13R1.42 C\C(\C=C\c1ccccc1)=C/C=O Amb18647671 [0,0,0,0,0,0|3,0,1]=4 67 B13R1.42 C\C=C/C(=O)NCc1ccccc1 Amb24432668 [0,0,0,0,0,0|2,0,2]=4 68 B13R1.42 C\C=C/C(=O)\C=C\c1ccccc1 Amb25093685 [0,0,0,0,0,0|1,0,1]=2 69 B13R1.42 C\C=C\C(=O)C=Cc1cccc[n]1 Amb24721749 [0,0,0,0,0,0|2,0,1]=3 70 B13R1.42 C\C=C\C(=O)NCc1ccccc1 Amb1196143 [0,0,0,0,0,0|2,0,2]=4 71 B13R1.42 C\C=C\C(=O)OCc1ccccc1 Amb10572342 [0,0,0,0,0,0|2,0,2]=4 72 B13R1.42 C\C=C\C(=O)\C=C\c1cccc[n]1 Amb24640045 [0,0,0,0,0,0|2,0,1]=3 73 B13R1.42 ClCCC(=O)NCc1ccccc1 Amb1931859 [0,0,0,0,0,0|3,0,1]=4 74 B13R1.42 N#CNC(=O)\C=C\c1ccc[n]c1 Amb25800313 [0,0,0,0,0,0|3,0,1]=4 75 B13R1.42 NCCC(=O)NCc1ccccc1 Amb15740949 [0,0,0,0,0,0|3,0,1]=4 76 B13R1.42 NCCC(=O)OCc1ccccc1 Amb15690782 [0,0,0,0,0,0|3,0,1]=4 77 B13R1.42 NCCC(=O)OCc1ccccc1 Amb20626398 [0,0,0,0,0,0|3,0,1]=4 78 B13R1.42 NCNC(=O)OCc1ccccc1 Amb10558226 [0,0,0,0,0,0|3,0,1]=4 79 B13R1.42 N\C(\C=C\c1ccccc1)=N/C#N Amb25360833 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.42 N\C(\C=Cc1ccccc1)=N\C#N Amb24745877 [0,0,0,0,0,0|3,0,1]=4 81 B13R1.42 N\C=C/C(=O)C=Cc1ccccc1 Amb25701706 [0,0,0,0,0,0|2,0,1]=3 82 B13R1.42 O=C(C=Cc1ccccc1)N=C=S Amb24062196 [0,0,0,0,0,0|2,0,1]=3 83 B13R1.42 O=C(CCBr)C#Cc1ccccc1 Amb24379645 [0,0,0,0,0,0|2,0,2]=4 84 B13R1.42 O=C(CCBr)OCc1ccccc1 Amb22232000 [0,0,0,0,0,0|3,0,1]=4 85 B13R1.42 O=C(CCCl)C#Cc1ccccc1 Amb24431018 [0,0,0,0,0,0|2,0,2]=4 86 B13R1.42 O=C(CCF)OCc1ccccc1 Amb22497154 [0,0,0,0,0,0|3,0,1]=4 87 B13R1.42 O=C(CCS)OCc1ccccc1 Amb24495479 [0,0,0,0,0,0|3,0,1]=4 88 B13R1.42 O=C(NCCl)OCc1ccccc1 Amb25783886 [0,0,0,0,0,0|3,0,1]=4 89 B13R1.42 O=C(NCc1ccccc1)OCCl Amb24635651 [0,0,0,0,0,0|2,0,1]=3 90 B13R1.42 O=C(NCc1ccccc1)OCF Amb25090863 [0,0,0,0,0,0|2,0,1]=3 91 B13R1.42 O=C(\C=C\c1ccccc1)N=C=O Amb24589372 [0,0,0,0,0,0|2,0,1]=3 92 B13R1.42 O=C(\C=C\c1ccccc1)\C=C\Cl Amb25717009 [0,0,0,0,0,0|2,0,1]=3 93 B13R1.42 O=C\C=C(\Cl)/C=Cc1ccccc1 Amb25326687 [0,0,0,0,0,0|3,0,1]=4 94 B13R1.42 OCCC(=O)NCc1ccccc1 Amb17335299 [0,0,0,0,0,0|3,0,1]=4 95 B13R1.42 OCCC(=O)OCc1ccccc1 Amb17609079 [0,0,0,0,0,0|3,0,1]=4 96 B13R1.42 OCNC(=O)OCc1ccccc1 Amb10066979 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.42 O\C=C\C(=O)C=Cc1ccccc1 Amb25708247 [0,0,0,0,0,0|2,0,1]=3 98 B13R1.42 O\N=C\C(=O)\C=C\c1ccccc1 Amb25065153 [0,0,0,0,0,0|3,0,0]=3 99 B13R1.42 [N-]=[N+]=CC(=O)\C=C\c1ccccc1 Amb20248597 [0,0,0,0,0,0|3,0,0]=3 100 B13R1.42 [N-]=[N+]=NC(=O)\C=C\c1c[n]ccc1 Amb24711546 [0,0,0,0,0,0|4,0,0]=4 101 B13R1.42 [N-]=[N+]=NC(=O)\C=C\c1ccccc1 Amb10574754 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.8 BrC\C=C\C=Cc1ccccc1 Amb25731131 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [1,0,0,0,0,0|1,0,1]=3 104 B12R1.8 CCCC\C=C\c1cccc[n]1 Amb19148732 [1,0,0,0,0,0|2,0,1]=4 105 B12R1.8 CCCC\N=C\c1ccccc1 Amb20248424 [1,0,0,0,0,0|2,0,1]=4 106 B12R1.8 CCCN\C=C\c1ccccc1 Amb24565827 [1,0,0,0,0,0|2,0,0]=3 107 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [1,0,0,0,0,0|1,0,1]=3 108 B12R1.8 CCC\C=N\Cc1ccccc1 Amb10562392 [1,0,0,0,0,0|2,0,1]=4 109 B12R1.8 CCOCC#Cc1ccccc1 Amb24663302 [1,0,0,0,0,0|0,0,3]=4 110 B12R1.8 CCOCCCc1ccccc1 Amb24063530 [1,0,0,0,0,0|0,0,3]=4 111 B12R1.8 CCO\N=C\Nc1ccccc1 Amb25696637 [1,0,0,0,0,0|2,0,0]=3 112 B12R1.8 CC\C=C\NCc1ccccc1 Amb24519259 [1,0,0,0,0,0|2,0,1]=4 113 B12R1.8 CN\N=C\C=Cc1ccccc1 Amb25807249 [1,0,0,0,0,0|2,0,0]=3 114 B12R1.8 ClCC#C\C=C/c1ccccc1 Amb25363289 [1,0,0,0,0,0|2,0,1]=4 115 B12R1.8 ClC\C=C\C=C\c1ccccc1 Amb25723712 [1,0,0,0,0,0|2,0,0]=3 116 B12R1.8 ClC\C=C\C=Cc1ccccc1 Amb25677867 [1,0,0,0,0,0|2,0,0]=3 117 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [1,0,0,0,0,0|2,0,1]=4 118 B12R1.8 NC\C=C/C=C/c1ccccc1 Amb25199167 [1,0,0,0,0,0|2,0,0]=3 119 B12R1.8 NC\C=C\C=C\c1ccccc1 Amb10567259 [1,0,0,0,0,0|2,0,0]=3 120 B12R1.8 O=C\C=C\C=C/c1ccccc1 Amb24453384 [1,0,0,0,0,0|2,0,1]=4 121 B12R1.8 O=C\C=C\C=C\c1ccccc1 Amb17593956 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.8 OCCN\C=C\c1ccccc1 Amb25087866 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.8 OC\C=C\C=Cc1c[n]ccc1 Amb25158051 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.8 OC\C=C\C=Cc1ccccc1 Amb24700798 [1,0,0,0,0,0|2,0,0]=3 125 B12R1.27 BrCC(=O)NCc1ccccc1 Amb2221074 [1,0,0,0,0,0|2,0,1]=4 126 B12R1.27 BrCC(=O)\C=C\c1ccccc1 Amb17596167 [1,0,0,0,0,0|1,0,0]=2 127 B12R1.27 C#CC(=O)\C=C\c1ccccc1 Amb25706970 [1,0,0,0,0,0|0,0,2]=3 128 B12R1.27 CC(C=Cc1ccccc1)=NO Amb24101081 [1,0,0,0,0,0|3,0,0]=4 129 B12R1.27 CC(CO)\C=C\c1ccccc1 Amb25378732 [1,0,0,0,0,0|2,0,1]=4 130 B12R1.27 CCC(=C)CNc1ccccc1 Amb25093473 [1,0,0,0,0,0|2,0,1]=4 131 B12R1.27 CCC(=N)NCc1ccccc1 Amb24388885 [1,0,0,0,0,0|2,0,1]=4 132 B12R1.27 CCC(=O)C#Cc1c[n]ccc1 Amb24532730 [1,0,0,0,0,0|1,0,2]=4 133 B12R1.27 CCC(=O)C#Cc1ccccc1 Amb10562235 [1,0,0,0,0,0|0,0,2]=3 134 B12R1.27 CCC(=O)NCc1ccccn1 Amb17736593 [1,0,0,0,0,0|2,0,1]=4 135 B12R1.27 CCC(=O)NCc1ccncc1 Amb17798077 [1,0,0,0,0,0|2,0,1]=4 136 B12R1.27 CCC(=O)NNc1c[n]ccc1 Amb25057552 [1,0,0,0,0,0|3,0,0]=4 137 B12R1.27 CCC(=O)O[Hg]c1ccccc1 Amb22359615 [1,0,0,0,0,0|2,0,0]=3 138 B12R1.27 CCC(=O)\C=C/c1ccccc1 Amb25271028 [1,0,0,0,0,0|0,0,0]=1 139 B12R1.27 CCC(=O)\C=C\c1ccc[n]c1 Amb25358914 [1,0,0,0,0,0|1,0,0]=2 140 B12R1.27 CCC(=O)\C=C\c1cccc[n]1 Amb24487185 [1,0,0,0,0,0|1,0,0]=2 141 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [1,0,0,0,0,0|0,0,0]=1 142 B12R1.27 CCC(=O)\N=N\c1ccccc1 Amb24644165 [1,0,0,0,0,0|2,0,0]=3 143 B12R1.27 CCC(Cl)\C=C\c1ccccc1 Amb25210818 [1,0,0,0,0,0|1,0,1]=3 144 B12R1.27 CCC(N)\C=C\c1c[n]ccc1 Amb24526364 [1,0,0,0,0,0|2,0,1]=4 145 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [1,0,0,0,0,0|0,0,2]=3 146 B12R1.27 CCC(O)\C=N\c1ccccc1 Amb25333476 [1,0,0,0,0,0|1,0,2]=4 147 B12R1.27 CCS(=O)NCc1ccccc1 Amb25359778 [1,0,0,0,0,0|2,0,1]=4 148 B12R1.27 CC[C@@H](O)\C=C\c1ccccc1 Amb25320497 [1,0,0,0,0,0|0,0,2]=3 149 B12R1.27 CNC(=O)C#Cc1ccccc1 Amb2106613 [1,0,0,0,0,0|1,0,2]=4 150 B12R1.27 CNC(=O)NCc1ccccc1 Amb2132763 [1,0,0,0,0,0|2,0,1]=4 151 B12R1.27 CNC(=O)NNc1ccccc1 Amb25751263 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.27 CNC(=O)\C=C\c1c[n]cc[n]1 Amb24343779 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.27 CNC(=O)\C=C\c1cccc[n]1 Amb24056147 [1,0,0,0,0,0|2,0,0]=3 154 B12R1.27 CNC(=O)\N=C\c1ccccc1 Amb24497304 [1,0,0,0,0,0|2,0,0]=3 155 B12R1.27 CNC(=O)\N=N\c1ccccc1 Amb25313077 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.27 CNC(C)\C=C\c1ccccc1 Amb18126307 [1,0,0,0,0,0|2,0,1]=4 157 B12R1.27 COC(=N)CNc1ccccc1 Amb24597022 [1,0,0,0,0,0|2,0,1]=4 158 B12R1.27 COC(=N)COc1ccccc1 Amb18798404 [1,0,0,0,0,0|2,0,1]=4 159 B12R1.27 COC(=O)/C=C/c1cccnc1 Amb17844385 [1,0,0,0,0,0|1,0,0]=2 160 B12R1.27 COC(=O)C#Cc1ccccn1 Amb1039304 [1,0,0,0,0,0|1,0,2]=4 161 B12R1.27 COC(=O)C=Cc1c[n]c[n]c1 Amb24093840 [1,0,0,0,0,0|2,0,0]=3 162 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb20668041 [1,0,0,0,0,0|1,0,0]=2 163 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb24074160 [1,0,0,0,0,0|1,0,0]=2 164 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [1,0,0,0,0,0|1,0,2]=4 165 B12R1.27 COC(=O)CNc1ccc[n]c1 Amb18270093 [1,0,0,0,0,0|2,0,1]=4 166 B12R1.27 COC(=O)COc1cccc[n]1 Amb24095859 [1,0,0,0,0,0|2,0,1]=4 167 B12R1.27 COC(=O)CSc1cccc[n]1 Amb22280333 [1,0,0,0,0,0|2,0,1]=4 168 B12R1.27 COC(=O)NCc1ccccn1 Amb17736865 [1,0,0,0,0,0|2,0,1]=4 169 B12R1.27 COC(=O)NCc1cccnc1 Amb17790231 [1,0,0,0,0,0|2,0,1]=4 170 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [1,0,0,0,0,0|1,0,1]=3 171 B12R1.27 COC(=O)\C=C\c1[n]ccc[n]1 Amb25337205 [1,0,0,0,0,0|2,0,0]=3 172 B12R1.27 COC(=O)\C=C\c1c[n]cc[n]1 Amb22524637 [1,0,0,0,0,0|2,0,0]=3 173 B12R1.27 COC(=O)\C=C\c1cccc[n]1 Amb25036096 [1,0,0,0,0,0|1,0,0]=2 174 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb10604946 [1,0,0,0,0,0|1,0,0]=2 175 B12R1.27 COC(=O)\N=N\c1ccccc1 Amb25836861 [1,0,0,0,0,0|2,0,0]=3 176 B12R1.27 CSC(=O)NCc1ccccc1 Amb24495681 [1,0,0,0,0,0|1,1,1]=4 177 B12R1.27 C[C@@H](CO)\C=C\c1ccccc1 Amb25127764 [1,0,0,0,0,0|2,0,1]=4 178 B12R1.27 C\C(\CCl)=C\Cc1ccccc1 Amb25279568 [1,0,0,0,0,0|2,0,1]=4 179 B12R1.27 C\C(\CN)=C\Cc1ccccc1 Amb24438874 [1,0,0,0,0,0|2,0,1]=4 180 B12R1.27 ClCC(=O)CCc1ccccc1 Amb17139043 [1,0,0,0,0,0|1,0,2]=4 181 B12R1.27 ClCC(=O)COc1ccccc1 Amb17139095 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.27 ClCC(=O)\C=C\c1ccccc1 Amb17594640 [1,0,0,0,0,0|1,0,0]=2 183 B12R1.27 ClCC(Cl)\C=C\c1ccccc1 Amb25124868 [1,0,0,0,0,0|2,0,1]=4 184 B12R1.27 Cl\C(\C=Cc1ccccc1)=C\Cl Amb25179203 [1,0,0,0,0,0|2,0,1]=4 185 B12R1.27 Cl\C(\CCl)=C/Cc1ccccc1 Amb25803609 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.27 N#CC(=O)\C=C\c1ccccc1 Amb10069227 [1,0,0,0,0,0|1,0,1]=3 187 B12R1.27 NC(CO)\C=C\c1ccccc1 Amb25201509 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [1,0,0,0,0,0|1,0,2]=4 189 B12R1.27 NCC(=O)NNc1ccccc1 Amb18646327 [1,0,0,0,0,0|3,0,0]=4 190 B12R1.27 NCC(=O)OCc1ccccc1 Amb1207685 [1,0,0,0,0,0|2,0,1]=4 191 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [1,0,0,0,0,0|2,0,1]=4 192 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [1,0,0,0,0,0|2,0,1]=4 193 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb18908593 [1,0,0,0,0,0|1,0,0]=2 194 B12R1.27 NCC(N)\C=C\c1ccccc1 Amb24678472 [1,0,0,0,0,0|2,0,1]=4 195 B12R1.27 NCC(O)\C=C\c1ccccc1 Amb18126377 [1,0,0,0,0,0|1,0,2]=4 196 B12R1.27 NC\C(\F)=C\Cc1ccccc1 Amb24743578 [1,0,0,0,0,0|2,0,1]=4 197 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb25838381 [1,0,0,0,0,0|2,0,0]=3 198 B12R1.27 N[C@@H](CO)\C=C\c1ccccc1 Amb24565958 [1,0,0,0,0,0|2,0,1]=4 199 B12R1.27 N\C(\C=Cc1ccccc1)=N\O Amb25065269 [1,0,0,0,0,0|3,0,0]=4 200 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [1,0,0,0,0,0|1,0,2]=4 201 B12R1.27 O=C(CBr)COc1ccccc1 Amb20668077 [1,0,0,0,0,0|2,0,1]=4 202 B12R1.27 O=C(CCl)NNc1ccccc1 Amb22411427 [1,0,0,0,0,0|3,0,0]=4 203 B12R1.27 O=C(CCl)\C=C\c1cccc[n]1 Amb24692734 [1,0,0,0,0,0|2,0,0]=3 204 B12R1.27 O=C(CF)C#Cc1ccccc1 Amb25373340 [1,0,0,0,0,0|1,0,2]=4 205 B12R1.27 O=C(CF)\C=C\c1ccccc1 Amb24572849 [1,0,0,0,0,0|1,0,0]=2 206 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [1,0,0,0,0,0|2,0,1]=4 207 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [1,0,0,0,0,0|2,0,1]=4 208 B12R1.27 O=C(\C=C\c1ccccc1)C=O Amb18126247 [1,0,0,0,0,0|1,0,1]=3 209 B12R1.27 OC(CF)\C=C\c1ccccc1 Amb25284420 [1,0,0,0,0,0|1,0,2]=4 210 B12R1.27 OCC(=O)C#Cc1ccccc1 Amb25094460 [1,0,0,0,0,0|1,0,2]=4 211 B12R1.27 OCC(=O)CCc1ccccc1 Amb18563609 [1,0,0,0,0,0|1,0,2]=4 212 B12R1.27 OCC(=O)COc1ccccc1 Amb18563713 [1,0,0,0,0,0|2,0,1]=4 213 B12R1.27 OCC(=O)NCc1ccccc1 Amb1111331 [1,0,0,0,0,0|2,0,1]=4 214 B12R1.27 OCC(=O)\C=C\c1ccccc1 Amb25142729 [1,0,0,0,0,0|1,0,0]=2 215 B12R1.27 OCC(Cl)\C=C\c1ccccc1 Amb24711501 [1,0,0,0,0,0|2,0,1]=4 216 B12R1.27 OCC(O)\C=C\c1ccccc1 Amb24496400 [1,0,0,0,0,0|1,0,2]=4 217 B12R1.27 OC[C@@H](O)\C=C\c1ccccc1 Amb24371109 [1,0,0,0,0,0|1,0,2]=4 218 B12R1.27 OC\C(=C/Cc1ccccc1)\C Amb17594048 [1,0,0,0,0,0|2,0,1]=4 219 B12R1.27 OC\C(\F)=C\Cc1ccccc1 Amb24661184 [1,0,0,0,0,0|2,0,1]=4 220 B12R1.27 ONC(=O)\C=C\c1cc[n]cc1 Amb22346729 [1,0,0,0,0,0|3,0,0]=4 221 B12R1.27 ONC(=O)\C=C\c1cc[n]cc1 Amb24565929 [1,0,0,0,0,0|3,0,0]=4 222 B12R1.27 O[C@H](CCl)\C=C\c1ccccc1 Amb24565740 [1,0,0,0,0,0|1,0,2]=4 223 B12R1.27 O[C@H](CF)\C=C\c1ccccc1 Amb24497699 [1,0,0,0,0,0|1,0,2]=4 224 B14R1.29 CC#CC(=O)NC(=O)c1ccccc1 Amb24096479 [0,1,0,0,0,0|2,0,1]=4 225 B14R1.29 CCCC(=O)NC(=O)c1ccccc1 Amb25131173 [0,1,0,0,0,0|2,0,0]=3 226 B14R1.29 CCCC(=O)OC(C)c1ccccc1 Amb22363249 [0,1,0,0,0,0|2,0,1]=4 227 B14R1.29 CCNC(=O)CN(C)c1ccccc1 Amb19971419 [0,1,0,0,0,0|2,0,1]=4 228 B14R1.29 CCNC(=O)NC(=N)c1ccccc1 Amb25081406 [0,1,0,0,0,0|2,0,0]=3 229 B14R1.29 CCNC(=O)NC(=O)c1c[n]ccc1 Amb25723374 [0,1,0,0,0,0|3,0,0]=4 230 B14R1.29 CCNC(=O)NC(=O)c1cc[n]cc1 Amb22464425 [0,1,0,0,0,0|3,0,0]=4 231 B14R1.29 CCN\C(\N)=N\C(=O)c1ccccc1 Amb25844071 [0,1,0,0,0,0|3,0,0]=4 232 B14R1.29 CCOC(=N)NC(=O)c1ccccc1 Amb25790534 [0,1,0,0,0,0|2,0,0]=3 233 B14R1.29 CCOC(=O)CC(=O)c1c[n]c[n]c1 Amb24083489 [0,1,0,0,0,0|2,0,1]=4 234 B14R1.29 CCOC(=O)CC(=O)c1cc[n]c[n]1 Amb22170381 [0,1,0,0,0,0|2,0,1]=4 235 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 Amb1212681 [0,1,0,0,0,0|0,0,1]=2 236 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 Amb13951245 [0,1,0,0,0,0|1,0,1]=3 237 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 Amb1647670 [0,1,0,0,0,0|1,0,1]=3 238 B14R1.29 CCOC(=O)CC(=O)c1cnccn1 Amb17935775 [0,1,0,0,0,0|2,0,1]=4 239 B14R1.29 CCOC(=O)CC(N)c1cc[n]cc1 Amb22495263 [0,1,0,0,0,0|1,0,2]=4 240 B14R1.29 CCOC(=O)CC(N)c1ccc[n]c1 Amb22496800 [0,1,0,0,0,0|1,0,2]=4 241 B14R1.29 CCOC(=O)CC(c1cccnc1)O Amb1110634 [0,1,0,0,0,0|1,0,2]=4 242 B14R1.29 CCOC(=O)CN(C)c1cc[n]cc1 Amb19042525 [0,1,0,0,0,0|2,0,1]=4 243 B14R1.29 CCOC(=O)CN(C)c1cccc[n]1 Amb19042528 [0,1,0,0,0,0|2,0,1]=4 244 B14R1.29 CCOC(=O)CS(=O)c1ccccc1 Amb22732228 [0,1,0,0,0,0|1,0,1]=3 245 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb19051013 [0,1,0,0,0,0|0,0,2]=3 246 B14R1.29 CCOC(=O)C[C@H](N)c1ccc[n]c1 Amb19887623 [0,1,0,0,0,0|1,0,2]=4 247 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O Amb10070415 [0,1,0,0,0,0|0,0,2]=3 248 B14R1.29 CCOC(=O)NC(=O)c1c[n]ccc1 Amb24356576 [0,1,0,0,0,0|2,0,0]=3 249 B14R1.29 CCOC(=O)NC(=O)c1cc[n]cc1 Amb25054599 [0,1,0,0,0,0|2,0,0]=3 250 B14R1.29 CCOC(=O)NC(=S)c1ccccc1 Amb25290179 [0,1,0,0,0,0|1,0,0]=2 251 B14R1.29 CCOC(=O)NC(=S)c1cccnc1 Amb10559604 [0,1,0,0,0,0|2,0,0]=3 252 B14R1.29 CCOC(=O)NC(c1ccccc1)C Amb2558890 [0,1,0,0,0,0|1,0,1]=3 253 B14R1.29 CCOC(=O)[CH-]C(=O)c1ccccc1 Amb22456153 [0,1,0,0,0,0|0,0,1]=2 254 B14R1.29 CCOC(=O)\C=C(/N)\c1ccccc1 Amb22285050 [0,1,0,0,0,0|0,0,0]=1 255 B14R1.29 CCOC(=O)\C=C(/c1ccccc1)\C Amb10566527 [0,1,0,0,0,0|0,0,0]=1 256 B14R1.29 CCOC(=S)NC(=O)c1ccccc1 Amb1641309 [0,1,0,0,0,0|1,1,0]=3 257 B14R1.29 CCSC(=N)NC(=O)c1ccccc1 Amb1098300 [0,1,0,0,0,0|2,1,0]=4 258 B14R1.29 CN(NC(=O)NCC)c1ccccc1 Amb24336746 [0,1,0,0,0,0|3,0,0]=4 259 B14R1.29 NCCC(=O)NC(=O)c1ccccc1 Amb25361031 [0,1,0,0,0,0|3,0,0]=4 260 B14R1.29 N\C(=C\C(=O)CC#N)\c1ccccc1 Amb24601803 [0,1,0,0,0,0|2,0,1]=4 261 B14R1.29 [N-]=[N+]=NC(=O)\C=C(\Cl)/c1ccccc1 Amb25267823 [0,1,0,0,0,0|3,0,0]=4 262 B14R1.32 CCCC(=O)NCc1cccc(Br)c1 Amb21263667 [0,1,0,0,0,0|2,0,1]=4 263 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl Amb2023616 [0,1,0,0,0,0|2,0,1]=4 264 B14R1.32 CCCC(=O)NNc1cccc(c1)C Amb1793394 [0,1,0,0,0,0|3,0,0]=4 265 B14R1.32 CCNC(=O)/C=C/c1cccc(Cl)c1 Amb17861655 [0,1,0,0,0,0|1,0,0]=2 266 B14R1.32 CCNC(=O)CCc1cccc(Br)c1 Amb20689149 [0,1,0,0,0,0|1,0,2]=4 267 B14R1.32 CCNC(=O)CCc1cccc(Cl)c1 Amb20811468 [0,1,0,0,0,0|1,0,2]=4 268 B14R1.32 CCNC(=O)COc1cccc(c1)N Amb1117435 [0,1,0,0,0,0|2,0,1]=4 269 B14R1.32 CCNC(=O)NCc1cc(Br)ccc1 Amb24687856 [0,1,0,0,0,0|2,0,1]=4 270 B14R1.32 CCNC(=O)NCc1cc(F)ccc1 Amb25234663 [0,1,0,0,0,0|2,0,1]=4 271 B14R1.32 CCNC(=O)NCc1cc(N)ccc1 Amb18992202 [0,1,0,0,0,0|2,0,1]=4 272 B14R1.32 CCNC(=O)NCc1cc(O)ccc1 Amb19051553 [0,1,0,0,0,0|2,0,1]=4 273 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl Amb158950 [0,1,0,0,0,0|2,0,1]=4 274 B14R1.32 CCNC(=O)\C=C\c1cccc(F)c1 Amb24411842 [0,1,0,0,0,0|1,0,0]=2 275 B14R1.32 CCNC(=O)\C=C\c1cccc(c1)N Amb17139254 [0,1,0,0,0,0|1,0,0]=2 276 B14R1.32 CCOC(=N)COc1cccc(F)c1 Amb24103552 [0,1,0,0,0,0|2,0,1]=4 277 B14R1.32 CCOC(=O)C#Cc1cc(Cl)ccc1 Amb24093911 [0,1,0,0,0,0|0,0,2]=3 278 B14R1.32 CCOC(=O)C#Cc1cc(F)ccc1 Amb24063534 [0,1,0,0,0,0|0,0,2]=3 279 B14R1.32 CCOC(=O)C#Cc1cc(N)ccc1 Amb25088348 [0,1,0,0,0,0|0,0,2]=3 280 B14R1.32 CCOC(=O)C#Cc1cc(O)ccc1 Amb25814600 [0,1,0,0,0,0|0,0,2]=3 281 B14R1.32 CCOC(=O)C=Cc1cc[n]c(Cl)c1 Amb24090593 [0,1,0,0,0,0|1,0,0]=2 282 B14R1.32 CCOC(=O)C=Cc1cccc(N)c1 Amb24061861 [0,1,0,0,0,0|0,0,0]=1 283 B14R1.32 CCOC(=O)CCc1c[n]cc(N)c1 Amb24105491 [0,1,0,0,0,0|1,0,2]=4 284 B14R1.32 CCOC(=O)CCc1cccc(Br)c1 Amb22232484 [0,1,0,0,0,0|0,0,2]=3 285 B14R1.32 CCOC(=O)CCc1cccc(N)c1 Amb22396481 [0,1,0,0,0,0|0,0,2]=3 286 B14R1.32 CCOC(=O)CCc1cccc(O)c1 Amb19515925 [0,1,0,0,0,0|0,0,2]=3 287 B14R1.32 CCOC(=O)COc1cc(Br)cc[n]1 Amb24095205 [0,1,0,0,0,0|2,0,1]=4 288 B14R1.32 CCOC(=O)COc1cccc(c1)Cl Amb2574396 [0,1,0,0,0,0|1,0,1]=3 289 B14R1.32 CCOC(=O)COc1cccc(c1)N Amb1119292 [0,1,0,0,0,0|1,0,1]=3 290 B14R1.32 CCOC(=O)CSc1cc(Cl)cc[n]1 Amb22301622 [0,1,0,0,0,0|2,0,1]=4 291 B14R1.32 CCOC(=O)NNc1cc(N)ccc1 Amb25797768 [0,1,0,0,0,0|2,0,0]=3 292 B14R1.32 CCOC(=O)\C=C\c1cc(F)cc[n]1 Amb22898931 [0,1,0,0,0,0|1,0,0]=2 293 B14R1.32 CCOC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10553943 [0,1,0,0,0,0|1,0,0]=2 294 B14R1.32 CCOC(=O)\C=C\c1cccc(Br)c1 Amb23504994 [0,1,0,0,0,0|0,0,0]=1 295 B14R1.32 CCOC(=O)\C=C\c1cccc(Cl)c1 Amb23504715 [0,1,0,0,0,0|0,0,0]=1 296 B14R1.32 CCOC(=O)\C=C\c1cccc(O)c1 Amb18651075 [0,1,0,0,0,0|0,0,0]=1 297 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)C Amb10566723 [0,1,0,0,0,0|0,0,0]=1 298 B14R1.32 CONC(=O)\C=C\c1cccc(N)c1 Amb25779106 [0,1,0,0,0,0|2,0,0]=3 299 B14R1.32 CONC(=O)\C=C\c1cccc(c1)Br Amb11260940 [0,1,0,0,0,0|2,0,0]=3 300 B14R1.32 CONC(=O)\C=C\c1cccc(c1)Cl Amb168265 [0,1,0,0,0,0|2,0,0]=3 301 B14R1.32 Cc1cc(CCC(=O)OCC)ccc1 Amb19073886 [0,1,0,0,0,0|0,0,2]=3 302 B14R1.32 Cc1cc(\C=C\C(=O)N=[N+]=[N-])ccc1 Amb25288232 [0,1,0,0,0,0|3,0,0]=4 303 B14R1.32 Cc1cc(\C=C\C(=O)NC#N)ccc1 Amb24498812 [0,1,0,0,0,0|2,0,1]=4 304 B14R1.32 Cc1cc(cc[n]1)C#CC(=O)OCC Amb24383515 [0,1,0,0,0,0|1,0,2]=4 305 B14R1.32 Cc1cc(ccc1)C#CC(=O)OCC Amb24450274 [0,1,0,0,0,0|0,0,2]=3 306 B14R1.32 Cc1cc(ccc1)OCC(=N)OCC Amb24103554 [0,1,0,0,0,0|2,0,1]=4 307 B14R1.32 Cc1cc[n]c(c1)OCC(=O)OCC Amb23590349 [0,1,0,0,0,0|2,0,1]=4 308 B14R1.32 Cc1cccc(C#CC(=O)OCC)[n]1 Amb24398539 [0,1,0,0,0,0|1,0,2]=4 309 B14R1.32 Cc1cccc([n]1)OCC(=O)OCC Amb23590347 [0,1,0,0,0,0|2,0,1]=4 310 B14R1.32 N#CNC(=O)\C=C\c1cccc(Br)c1 Amb24498723 [0,1,0,0,0,0|2,0,1]=4 311 B14R1.32 [N-]=[N+]=NC(=O)\C=C\c1cccc(Cl)c1 Amb24366106 [0,1,0,0,0,0|3,0,0]=4 312 B14R1.32 [N-]=[N+]=NC(=O)\C=C\c1cccc(F)c1 Amb22551093 [0,1,0,0,0,0|3,0,0]=4 313 B14R1.60 CC(=Cc1ccccc1)C(=O)C=C[O-] Amb24090361 [0,1,0,0,0,0|2,0,1]=4 314 B14R1.60 CC(Oc1ccc[n]c1)C(=O)OCC Amb19080593 [0,1,0,0,0,0|2,0,1]=4 315 B14R1.60 CC(Oc1cccc[n]1)C(=O)OCC Amb24065229 [0,1,0,0,0,0|2,0,1]=4 316 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 Amb25706664 [0,1,0,0,0,0|2,0,0]=3 317 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 Amb17401495 [0,1,0,0,0,0|1,0,1]=3 318 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 Amb1814008 [0,1,0,0,0,0|2,0,0]=3 319 B14R1.60 CCNC(=O)C(N)Cc1ccccc1 Amb21958668 [0,1,0,0,0,0|1,0,2]=4 320 B14R1.60 CCNC(=O)C(Sc1ccccc1)C Amb10769215 [0,1,0,0,0,0|2,0,1]=4 321 B14R1.60 CCNC(=O)[C@H](Cc1ccccc1)N Amb17235472 [0,1,0,0,0,0|1,0,2]=4 322 B14R1.60 CCOC(=O)C(=O)Nc1c[n]c[n]c1 Amb25717141 [0,1,0,0,0,0|3,0,0]=4 323 B14R1.60 CCOC(=O)C(=O)Nc1c[n]cc[n]1 Amb19052150 [0,1,0,0,0,0|3,0,0]=4 324 B14R1.60 CCOC(=O)C(=O)Nc1cc[n]c[n]1 Amb25315099 [0,1,0,0,0,0|3,0,0]=4 325 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 Amb1196006 [0,1,0,0,0,0|1,0,0]=2 326 B14R1.60 CCOC(=O)C(=O)Nc1ncccn1 Amb17048324 [0,1,0,0,0,0|3,0,0]=4 327 B14R1.60 CCOC(=O)C(=O)Oc1cccc[n]1 Amb24103622 [0,1,0,0,0,0|2,0,0]=3 328 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 Amb19051002 [0,1,0,0,0,0|1,0,1]=3 329 B14R1.60 CCOC(=O)C(C[n+]1ccccc1)Br Amb1030020 [0,1,0,0,0,0|1,0,2]=4 330 B14R1.60 CCOC(=O)C(Cl)Cc1ccccc1 Amb24066460 [0,1,0,0,0,0|0,0,2]=3 331 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 Amb17940943 [0,1,0,0,0,0|1,0,1]=3 332 B14R1.60 CCOC(=O)C(N)Cc1cc[n]cc1 Amb20622578 [0,1,0,0,0,0|1,0,2]=4 333 B14R1.60 CCOC(=O)C(N)Cc1cccc[n]1 Amb22498620 [0,1,0,0,0,0|1,0,2]=4 334 B14R1.60 CCOC(=O)C(N)Cc1cccc[n]1 Amb22755784 [0,1,0,0,0,0|1,0,2]=4 335 B14R1.60 CCOC(=O)C(N)Sc1ccccc1 Amb24066449 [0,1,0,0,0,0|1,0,1]=3 336 B14R1.60 CCOC(=O)C(O)Cc1ccccc1 Amb19079971 [0,1,0,0,0,0|0,0,2]=3 337 B14R1.60 CCOC(=O)C(O)Nc1cccc[n]1 Amb24095646 [0,1,0,0,0,0|2,0,1]=4 338 B14R1.60 CCOC(=O)C([O-])=Cc1cc[n]cc1 Amb19506687 [0,1,0,0,0,0|1,0,0]=2 339 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb19889827 [0,1,0,0,0,0|0,0,2]=3 340 B14R1.60 CCOC(=O)\C(=C/c1ccccc1)\C Amb10976899 [0,1,0,0,0,0|0,0,0]=1 341 B14R1.60 CCOC(=O)\C(=C\c1ccccc1)\Br Amb2573602 [0,1,0,0,0,0|0,0,0]=1 342 B14R1.60 CC\C=C(/Br)\C(=O)Nc1ccccc1 Amb22433162 [0,1,0,0,0,0|3,0,0]=4 343 B14R1.60 CN(Cc1ccccc1)C(=O)OCCl Amb24371177 [0,1,0,0,0,0|2,0,1]=4 344 B14R1.60 C\C(=C/CC)\C(=O)Nc1ccccc1 Amb24468199 [0,1,0,0,0,0|3,0,0]=4 345 B14R1.60 C\C(=C/c1ccccc1)\C(=O)\C=C/[O-] Amb22728792 [0,1,0,0,0,0|2,0,1]=4 346 B14R1.60 C\C(=C\CC)\C(=O)Nc1ccccc1 Amb24546687 [0,1,0,0,0,0|3,0,0]=4 347 B14R1.60 [N-]=[N+]=NC(=O)\C(\F)=C/c1ccccc1 Amb25316233 [0,1,0,0,0,0|3,0,0]=4 348 B14R1.60 [N-]=[N+]=NC(=O)\C(\F)=C\c1ccccc1 Amb24443717 [0,1,0,0,0,0|3,0,0]=4 349 B14R1.156 BrCCCC(=O)OCc1ccccc1 Amb2413170 [0,1,0,0,0,0|2,0,1]=4 350 B14R1.156 BrCCNC(=O)C#Cc1ccccc1 Amb10572777 [0,1,0,0,0,0|1,0,2]=4 351 B14R1.156 BrCCNC(=O)OCc1ccccc1 Amb10608828 [0,1,0,0,0,0|2,0,1]=4 352 B14R1.156 C#CCOC(=O)OCc1ccccc1 Amb25777078 [0,1,0,0,0,0|1,0,2]=4 353 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 Amb15739664 [0,1,0,0,0,0|1,0,1]=3 354 B14R1.156 CCCCC(=O)NNc1ccccc1 Amb22445767 [0,1,0,0,0,0|3,0,0]=4 355 B14R1.156 CCCCC(=O)OCc1ccccc1 Amb16192632 [0,1,0,0,0,0|2,0,1]=4 356 B14R1.156 CCCCC(=O)SCc1ccccc1 Amb10562264 [0,1,0,0,0,0|2,0,1]=4 357 B14R1.156 CCCNC(=O)C#Cc1ccccc1 Amb24674279 [0,1,0,0,0,0|1,0,2]=4 358 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [0,1,0,0,0,0|2,0,1]=4 359 B14R1.156 CCCOC(=S)NCc1ccccc1 Amb24418420 [0,1,0,0,0,0|1,1,1]=4 360 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [0,1,0,0,0,0|2,0,1]=4 361 B14R1.156 CCONC(=O)CCc1ccccc1 Amb10705048 [0,1,0,0,0,0|0,0,2]=3 362 B14R1.156 CCONC(=O)CSc1ccccc1 Amb20866349 [0,1,0,0,0,0|1,0,1]=3 363 B14R1.156 CCONC(=O)OCc1ccccc1 Amb24372859 [0,1,0,0,0,0|1,0,1]=3 364 B14R1.156 CCSNC(=O)NCc1ccccc1 Amb22341977 [0,1,0,0,0,0|1,1,1]=4 365 B14R1.156 CC\C=C/C(=O)NCc1ccccc1 Amb24378106 [0,1,0,0,0,0|2,0,1]=4 366 B14R1.156 CC\C=C\C(=O)C#Cc1ccccc1 Amb25701123 [0,1,0,0,0,0|1,0,2]=4 367 B14R1.156 CNCCC(=O)C#Cc1ccccc1 Amb25031246 [0,1,0,0,0,0|1,0,2]=4 368 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [0,1,0,0,0,0|2,0,1]=4 369 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [0,1,0,0,0,0|2,0,1]=4 370 B14R1.156 CNCNC(=O)OCc1ccccc1 Amb24451123 [0,1,0,0,0,0|2,0,1]=4 371 B14R1.156 CNOCC(=O)NCc1ccccc1 Amb25690900 [0,1,0,0,0,0|2,0,1]=4 372 B14R1.156 CSCCC(=O)C#Cc1ccccc1 Amb24632114 [0,1,0,0,0,0|1,0,2]=4 373 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [0,1,0,0,0,0|2,0,1]=4 374 B14R1.156 N#CCOC(=O)\C=C/c1ccccc1 Amb2422957 [0,1,0,0,0,0|0,0,1]=2 375 B14R1.156 NCCNC(=O)C#Cc1ccccc1 Amb18304550 [0,1,0,0,0,0|1,0,2]=4 376 B14R1.156 NCCNC(=O)NCc1ccccc1 Amb17235652 [0,1,0,0,0,0|2,0,1]=4 377 B14R1.156 NCCSC(=O)NCc1ccccc1 Amb25165890 [0,1,0,0,0,0|1,1,1]=4 378 B14R1.156 O=C(CCCBr)C#Cc1ccccc1 Amb24362877 [0,1,0,0,0,0|1,0,2]=4 379 B14R1.156 O=C(CCCCl)C#Cc1ccccc1 Amb25819363 [0,1,0,0,0,0|1,0,2]=4 380 B14R1.156 O=C(CCCCl)OCc1ccccc1 Amb19960308 [0,1,0,0,0,0|2,0,1]=4 381 B14R1.156 O=C(COc1ccccc1)OCCBr Amb24065427 [0,1,0,0,0,0|1,0,1]=3 382 B14R1.156 O=C(NCCF)NCc1ccccc1 Amb25113255 [0,1,0,0,0,0|2,0,1]=4 383 B14R1.156 O=C(NCCI)OCc1ccccc1 Amb21962791 [0,1,0,0,0,0|2,0,1]=4 384 B14R1.156 O=C(NCCS)NNc1ccccc1 Amb24680332 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.156 O=C(NCCS)OCc1ccccc1 Amb24506531 [0,1,0,0,0,0|2,0,1]=4 386 B14R1.156 O=C(NCc1ccccc1)OCCI Amb24696581 [0,1,0,0,0,0|1,0,1]=3 387 B14R1.156 O=C(NCc1ccccc1)OCCS Amb25756215 [0,1,0,0,0,0|1,0,1]=3 388 B14R1.156 OCC#CC(=O)\C=C\c1ccccc1 Amb24355167 [0,1,0,0,0,0|1,0,1]=3 389 B14R1.156 OCCCC(=O)C#Cc1ccccc1 Amb25835473 [0,1,0,0,0,0|1,0,2]=4 390 B14R1.156 OCCNC(=O)OCc1ccccc1 Amb17719245 [0,1,0,0,0,0|2,0,1]=4 391 B14R1.156 OCCOC(=O)C#Cc1ccccc1 Amb25357325 [0,1,0,0,0,0|0,0,2]=3 392 B14R1.156 OCCOC(=O)NCc1ccccc1 Amb24335977 [0,1,0,0,0,0|1,0,1]=3 393 B14R1.156 O[13CH2][13CH2][15NH]C(=O)OCc1ccccc1 Amb17609202 [0,1,0,0,0,0|2,0,1]=4 394 B14R1.502 C#CCC(=O)\C=C\c1ccc(N)cc1 Amb24377384 [0,1,0,0,0,0|1,0,2]=4 395 B14R1.502 CCCC(=O)NCc1ccc(cc1)N Amb17139364 [0,1,0,0,0,0|2,0,1]=4 396 B14R1.502 CCNC(=O)/C=C/c1ccc(C)cc1 Amb17868654 [0,1,0,0,0,0|1,0,0]=2 397 B14R1.502 CCNC(=O)/C=C/c1ccc(Cl)cc1 Amb17775297 [0,1,0,0,0,0|1,0,0]=2 398 B14R1.502 CCNC(=O)/C=C/c1ccc(F)cc1 Amb17859931 [0,1,0,0,0,0|1,0,0]=2 399 B14R1.502 CCNC(=O)CCc1ccc(Cl)cc1 Amb21187187 [0,1,0,0,0,0|1,0,2]=4 400 B14R1.502 CCNC(=O)CCc1ccc(F)cc1 Amb19705924 [0,1,0,0,0,0|1,0,2]=4 401 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br Amb163077 [0,1,0,0,0,0|2,0,1]=4 402 B14R1.502 CCNC(=O)COc1ccc(cc1)N Amb1111737 [0,1,0,0,0,0|2,0,1]=4 403 B14R1.502 CCNC(=O)NCc1ccc(F)cc1 Amb24459087 [0,1,0,0,0,0|2,0,1]=4 404 B14R1.502 CCNC(=O)NCc1ccc(N)cc1 Amb18969348 [0,1,0,0,0,0|2,0,1]=4 405 B14R1.502 CCNC(=O)NCc1ccc(cc1)C Amb1233670 [0,1,0,0,0,0|2,0,1]=4 406 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl Amb162907 [0,1,0,0,0,0|2,0,1]=4 407 B14R1.502 CCNC(=O)NNc1ccc(Cl)cc1 Amb25759059 [0,1,0,0,0,0|3,0,0]=4 408 B14R1.502 CCNC(=O)\C=C\c1ccc(O)cc1 Amb24336027 [0,1,0,0,0,0|1,0,0]=2 409 B14R1.502 CCOC(=O)C#Cc1c[n]c(Cl)cc1 Amb24638173 [0,1,0,0,0,0|1,0,2]=4 410 B14R1.502 CCOC(=O)C#Cc1ccc(Br)cc1 Amb24643932 [0,1,0,0,0,0|0,0,2]=3 411 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 Amb19515859 [0,1,0,0,0,0|0,0,2]=3 412 B14R1.502 CCOC(=O)C#Cc1ccc(F)c[n]1 Amb25304036 [0,1,0,0,0,0|1,0,2]=4 413 B14R1.502 CCOC(=O)C#Cc1ccc(F)cc1 Amb25814599 [0,1,0,0,0,0|0,0,2]=3 414 B14R1.502 CCOC(=O)C#Cc1ccc(O)cc1 Amb25042066 [0,1,0,0,0,0|0,0,2]=3 415 B14R1.502 CCOC(=O)C=Cc1ccc(Cl)[n]c1 Amb24097721 [0,1,0,0,0,0|1,0,0]=2 416 B14R1.502 CCOC(=O)C=Cc1ccc(Cl)cc1 Amb24078556 [0,1,0,0,0,0|0,0,0]=1 417 B14R1.502 CCOC(=O)C=Cc1ccc(F)cc1 Amb24089413 [0,1,0,0,0,0|0,0,0]=1 418 B14R1.502 CCOC(=O)CCc1ccc(Br)[n]c1 Amb23452634 [0,1,0,0,0,0|1,0,2]=4 419 B14R1.502 CCOC(=O)CCc1ccc(Cl)cc1 Amb21962138 [0,1,0,0,0,0|0,0,2]=3 420 B14R1.502 CCOC(=O)CCc1ccc(F)cc1 Amb21962143 [0,1,0,0,0,0|0,0,2]=3 421 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19042046 [0,1,0,0,0,0|0,0,2]=3 422 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19349650 [0,1,0,0,0,0|0,0,2]=3 423 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br Amb15692691 [0,1,0,0,0,0|0,0,2]=3 424 B14R1.502 CCOC(=O)CNc1ccc(F)c[n]1 Amb19044823 [0,1,0,0,0,0|2,0,1]=4 425 B14R1.502 CCOC(=O)CNc1ccc(I)cc1 Amb22282335 [0,1,0,0,0,0|1,0,1]=3 426 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br Amb1798245 [0,1,0,0,0,0|1,0,1]=3 427 B14R1.502 CCOC(=O)CNc1ccc(cc1)F Amb1649074 [0,1,0,0,0,0|1,0,1]=3 428 B14R1.502 CCOC(=O)CNc1ccc(cc1)I Amb1003062 [0,1,0,0,0,0|1,0,1]=3 429 B14R1.502 CCOC(=O)COc1ccc(F)c[n]1 Amb24103511 [0,1,0,0,0,0|2,0,1]=4 430 B14R1.502 CCOC(=O)COc1ccc(N)c[n]1 Amb24103510 [0,1,0,0,0,0|2,0,1]=4 431 B14R1.502 CCOC(=O)COc1ccc(O)cc1 Amb18652309 [0,1,0,0,0,0|1,0,1]=3 432 B14R1.502 CCOC(=O)COc1ccc(cc1)Br Amb1019625 [0,1,0,0,0,0|1,0,1]=3 433 B14R1.502 CCOC(=O)COc1ccc(cc1)N Amb1121477 [0,1,0,0,0,0|1,0,1]=3 434 B14R1.502 CCOC(=O)CSc1ccc(cc1)C Amb2436495 [0,1,0,0,0,0|1,0,1]=3 435 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl Amb2439238 [0,1,0,0,0,0|1,0,1]=3 436 B14R1.502 CCOC(=O)CSc1ccc(cc1)O Amb2439237 [0,1,0,0,0,0|1,0,1]=3 437 B14R1.502 CCOC(=O)NCc1ccc(Br)cc1 Amb22452221 [0,1,0,0,0,0|1,0,1]=3 438 B14R1.502 CCOC(=O)NNc1ccc(Br)cc1 Amb22485020 [0,1,0,0,0,0|2,0,0]=3 439 B14R1.502 CCOC(=O)NNc1ccc(N)cc1 Amb25109171 [0,1,0,0,0,0|2,0,0]=3 440 B14R1.502 CCOC(=O)\C=C/c1ccc(Cl)cc1 Amb23504475 [0,1,0,0,0,0|0,0,0]=1 441 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)N Amb1197562 [0,1,0,0,0,0|0,0,0]=1 442 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)O Amb2445150 [0,1,0,0,0,0|0,0,0]=1 443 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)S Amb17614100 [0,1,0,0,0,0|0,0,0]=1 444 B14R1.502 CCOC(=O)\C=N\c1ccc(Br)cc1 Amb20241622 [0,1,0,0,0,0|1,0,0]=2 445 B14R1.502 CCOC(=[NH2+])COc1ccc(cc1)F Amb2434227 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.502 CONC(=O)C=Cc1ccc(F)cc1 Amb19241888 [0,1,0,0,0,0|2,0,0]=3 447 B14R1.502 CONC(=O)\C=C\c1ccc(O)cc1 Amb25072920 [0,1,0,0,0,0|2,0,0]=3 448 B14R1.502 Cc1ccc(C=C\C(\C)=C/CO)cc1 Amb25763932 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.502 Cc1ccc(CCC(=O)OCC)cc1 Amb19073887 [0,1,0,0,0,0|0,0,2]=3 450 B14R1.502 Cc1ccc([n]c1)OCC(=O)OCC Amb24063764 [0,1,0,0,0,0|2,0,1]=4 451 B14R1.502 Cc1ccc(\C=C\C(=O)N=[N+]=[N-])cc1 Amb22055753 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.502 Cc1ccc(\C=C\C(=O)NOC)cc1 Amb25205472 [0,1,0,0,0,0|2,0,0]=3 453 B14R1.502 Cc1ccc(c[n]1)C#CC(=O)OCC Amb25352325 [0,1,0,0,0,0|1,0,2]=4 454 B14R1.502 Cc1ccc(cc1)C#CC(=O)OCC Amb25205982 [0,1,0,0,0,0|0,0,2]=3 455 B14R1.502 Cc1ccc(cc1)NNC(=O)NCC Amb24336748 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.502 Cc1ccc(cc1)OCC(=O)NCC Amb19536406 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.502 Cc1ccc(cc1)SNC(=O)NCC Amb25844419 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.502 Nc1ccc(\C=C\C(=O)NC#N)cc1 Amb25137494 [0,1,0,0,0,0|2,0,1]=4 459 B14R1.502 [N-]=[N+]=NC(=O)\C=C\c1ccc(Cl)cc1 Amb24595923 [0,1,0,0,0,0|3,0,0]=4 460 B14R1.598 CCCC(=O)NCc1ccccc1F Amb2020114 [0,1,0,0,0,0|2,0,1]=4 461 B14R1.598 CCCC(=O)OCc1ccccc1Cl Amb24079960 [0,1,0,0,0,0|2,0,1]=4 462 B14R1.598 CCNC(=O)CCc1ccccc1Cl Amb17623412 [0,1,0,0,0,0|1,0,2]=4 463 B14R1.598 CCNC(=O)CCc1ccccc1F Amb19556578 [0,1,0,0,0,0|1,0,2]=4 464 B14R1.598 CCNC(=O)COc1ccccc1F Amb17626418 [0,1,0,0,0,0|2,0,1]=4 465 B14R1.598 CCNC(=O)COc1ccccc1N Amb1119533 [0,1,0,0,0,0|2,0,1]=4 466 B14R1.598 CCNC(=O)CSc1ccccc1Br Amb21176515 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.598 CCNC(=O)CSc1ccccc1Cl Amb21618442 [0,1,0,0,0,0|2,0,1]=4 468 B14R1.598 CCNC(=O)NCc1ccccc1Br Amb25702780 [0,1,0,0,0,0|2,0,1]=4 469 B14R1.598 CCNC(=O)NCc1ccccc1Cl Amb2236974 [0,1,0,0,0,0|2,0,1]=4 470 B14R1.598 CCNC(=O)NCc1ccccc1F Amb25819198 [0,1,0,0,0,0|2,0,1]=4 471 B14R1.598 CCNC(=O)NCc1ccccc1N Amb18984546 [0,1,0,0,0,0|2,0,1]=4 472 B14R1.598 CCNC(=O)\C=C\c1ccccc1Br Amb24750223 [0,1,0,0,0,0|1,0,0]=2 473 B14R1.598 CCNC(=O)\C=C\c1ccccc1F Amb25281395 [0,1,0,0,0,0|1,0,0]=2 474 B14R1.598 CCOC(=O)C#Cc1ccccc1Cl Amb24079963 [0,1,0,0,0,0|0,0,2]=3 475 B14R1.598 CCOC(=O)C#Cc1ccccc1F Amb24079971 [0,1,0,0,0,0|0,0,2]=3 476 B14R1.598 CCOC(=O)C#Cc1ccccc1O Amb24613197 [0,1,0,0,0,0|0,0,2]=3 477 B14R1.598 CCOC(=O)C=Cc1ccc[n]c1Cl Amb24090584 [0,1,0,0,0,0|1,0,0]=2 478 B14R1.598 CCOC(=O)CCN1C=CC=CC1=O Amb19052170 [0,1,0,0,0,0|1,0,2]=4 479 B14R1.598 CCOC(=O)CCN1C=CC=CC1=S Amb19804602 [0,1,0,0,0,0|1,0,2]=4 480 B14R1.598 CCOC(=O)CCc1cc[n]cc1Br Amb21964460 [0,1,0,0,0,0|1,0,2]=4 481 B14R1.598 CCOC(=O)CCc1ccccc1Br Amb15692688 [0,1,0,0,0,0|0,0,2]=3 482 B14R1.598 CCOC(=O)CCc1ccccc1Cl Amb21962867 [0,1,0,0,0,0|0,0,2]=3 483 B14R1.598 CCOC(=O)CCc1ccccc1F Amb21962868 [0,1,0,0,0,0|0,0,2]=3 484 B14R1.598 CCOC(=O)CCc1ccccc1O Amb18651832 [0,1,0,0,0,0|0,0,2]=3 485 B14R1.598 CCOC(=O)COc1[n]cccc1N Amb24103508 [0,1,0,0,0,0|2,0,1]=4 486 B14R1.598 CCOC(=O)COc1[n]cccc1O Amb24103509 [0,1,0,0,0,0|2,0,1]=4 487 B14R1.598 CCOC(=O)COc1ccccc1O Amb1199351 [0,1,0,0,0,0|1,0,1]=3 488 B14R1.598 CCOC(=O)NCc1ccc[n]c1N Amb24103450 [0,1,0,0,0,0|2,0,1]=4 489 B14R1.598 CCOC(=O)NNc1[n]cccc1N Amb25087884 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.598 CCOC(=O)NNc1ccccc1N Amb18652148 [0,1,0,0,0,0|2,0,0]=3 491 B14R1.598 CCOC(=O)\C=C/c1cnccc1N Amb10807812 [0,1,0,0,0,0|1,0,0]=2 492 B14R1.598 CCOC(=O)\C=C\c1cccc[n+]1[O-] Amb10553940 [0,1,0,0,0,0|1,0,0]=2 493 B14R1.598 CCOC(=O)\C=C\c1ccccc1Br Amb10604255 [0,1,0,0,0,0|0,0,0]=1 494 B14R1.598 CCOC(=O)\C=C\c1ccccc1N Amb18650800 [0,1,0,0,0,0|0,0,0]=1 495 B14R1.598 CCOC(=O)\C=C\c1ccccc1O Amb18651061 [0,1,0,0,0,0|0,0,0]=1 496 B14R1.598 CCOC(=O)\C=C\c1cccnc1N Amb10807777 [0,1,0,0,0,0|1,0,0]=2 497 B14R1.598 CCOC(=O)\C=C\c1cnccc1N Amb10844701 [0,1,0,0,0,0|1,0,0]=2 498 B14R1.598 CONC(=O)\C=C\c1ccccc1Cl Amb11261129 [0,1,0,0,0,0|2,0,0]=3 499 B14R1.598 Cc1c[n]ccc1C#CC(=O)OCC Amb25222448 [0,1,0,0,0,0|1,0,2]=4 500 B14R1.598 Cc1cc[n]cc1C#CC(=O)OCC Amb25055462 [0,1,0,0,0,0|1,0,2]=4 501 B14R1.598 Cc1ccc[n]c1OCC(=O)OCC Amb23590350 [0,1,0,0,0,0|2,0,1]=4 502 B14R1.598 Cc1ccccc1C#CC(=O)OCC Amb24369087 [0,1,0,0,0,0|0,0,2]=3 503 B14R1.598 Cc1ccccc1C=C\C(\C)=C/CO Amb24474205 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.598 Cc1ccccc1CCC(=O)OCC Amb19073901 [0,1,0,0,0,0|0,0,2]=3 505 B14R1.598 Cc1ccccc1CNC(=O)CCC Amb19387685 [0,1,0,0,0,0|2,0,1]=4 506 B14R1.598 Cc1ccccc1SCC(=N)OCC Amb24103578 [0,1,0,0,0,0|2,0,1]=4 507 B14R1.598 Cc1ccccc1\C=C\C(=O)NCC Amb24388813 [0,1,0,0,0,0|1,0,0]=2 508 B14R1.598 Cc1ccccc1\C=C\C(=O)NOC Amb25765386 [0,1,0,0,0,0|2,0,0]=3 509 B14R1.598 N#CNC(=O)\C=C\c1ccccc1Br Amb24419154 [0,1,0,0,0,0|2,0,1]=4 510 B14R1.598 N#CNC(=O)\C=C\c1ccccc1Cl Amb25130749 [0,1,0,0,0,0|2,0,1]=4 511 B14R1.598 [N-]=[N+]=NC(=O)\C=C\c1ccccc1Cl Amb24392187 [0,1,0,0,0,0|3,0,0]=4 512 B14R1.756 CCC(=C)C(=O)OCc1ccccc1 Amb22347956 [0,1,0,0,0,0|2,0,1]=4 513 B14R1.756 CCC(Br)C(=O)OCc1ccccc1 Amb18090812 [0,1,0,0,0,0|2,0,1]=4 514 B14R1.756 CCC(C(=O)NCc1ccccc1)Cl Amb1229165 [0,1,0,0,0,0|2,0,1]=4 515 B14R1.756 CCC(C(=O)OCc1ccccc1)C Amb15745700 [0,1,0,0,0,0|2,0,1]=4 516 B14R1.756 CCC(N)C(=O)OCc1ccccc1 Amb19042038 [0,1,0,0,0,0|2,0,1]=4 517 B14R1.756 CCC(O)C(=O)C#Cc1ccccc1 Amb25031203 [0,1,0,0,0,0|1,0,2]=4 518 B14R1.756 CCN(C)C(=O)OCc1ccccc1 Amb25736143 [0,1,0,0,0,0|2,0,1]=4 519 B14R1.756 CCN(O)C(=O)OCc1ccccc1 Amb25259905 [0,1,0,0,0,0|2,0,1]=4 520 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 Amb24452244 [0,1,0,0,0,0|2,0,1]=4 521 B14R1.756 CC[C@@H](N)C(=O)NCc1ccccc1 Amb25093922 [0,1,0,0,0,0|2,0,1]=4 522 B14R1.756 CC[C@@H](N)C(=O)NNc1ccccc1 Amb25145211 [0,1,0,0,0,0|3,0,0]=4 523 B14R1.756 CC[C@@H](N)C(=O)OCc1ccccc1 Amb25814870 [0,1,0,0,0,0|2,0,1]=4 524 B14R1.756 CC[C@H](N)C(=O)OCc1ccccc1 Amb25106853 [0,1,0,0,0,0|2,0,1]=4 525 B14R1.756 CC[C@H](O)C(=O)OCc1ccccc1 Amb25087788 [0,1,0,0,0,0|2,0,1]=4 526 B14R1.756 CON(C(=O)\C=C\c1ccccc1)C Amb10569707 [0,1,0,0,0,0|2,0,0]=3 527 B14R1.756 C\C(=C\Nc1ccccc1)\C(=O)CC Amb25780797 [0,1,0,0,0,0|3,0,0]=4 528 B14R1.756 OCN(C(=O)\C=C\c1ccccc1)C Amb2444120 [0,1,0,0,0,0|2,0,0]=3 529 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,1,0,0,0,0|1,0,1]=3 530 B14R1.818 CC(=O)[CH-]C(=O)C=Cc1ccccc1 Amb22486320 [0,1,0,0,0,0|1,0,1]=3 531 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 Amb22346076 [0,1,0,0,0,0|1,0,0]=2 532 B14R1.818 CC(C)CC(=O)\C=C\c1ccccc1 Amb22731159 [0,1,0,0,0,0|1,0,0]=2 533 B14R1.818 CC(C)NC(=O)NNc1ccccc1 Amb24531944 [0,1,0,0,0,0|3,0,0]=4 534 B14R1.818 CC(C)NC(=O)OCc1ccccc1 Amb22460564 [0,1,0,0,0,0|2,0,1]=4 535 B14R1.818 CC(C)NC(=O)\C=C\c1ccc[n]c1 Amb25728495 [0,1,0,0,0,0|2,0,0]=3 536 B14R1.818 CC(C)NC(=S)\C=C\c1ccccc1 Amb25077260 [0,1,0,0,0,0|1,1,0]=3 537 B14R1.818 CC(C)OC(=O)NCc1ccccc1 Amb25798341 [0,1,0,0,0,0|1,0,1]=3 538 B14R1.818 CC(C)OC(=O)NNc1ccccc1 Amb22446043 [0,1,0,0,0,0|2,0,0]=3 539 B14R1.818 CC(C)OC(=O)OCc1ccccc1 Amb25185793 [0,1,0,0,0,0|1,0,1]=3 540 B14R1.818 CC(Cl)OC(=O)OCc1ccccc1 Amb25202460 [0,1,0,0,0,0|1,0,1]=3 541 B14R1.818 CC(N)CC(=O)C#Cc1ccccc1 Amb25031245 [0,1,0,0,0,0|1,0,2]=4 542 B14R1.818 CC(N)CC(=O)NCc1ccccc1 Amb19004106 [0,1,0,0,0,0|2,0,1]=4 543 B14R1.818 CC(N)CC(=O)OCc1ccccc1 Amb19042037 [0,1,0,0,0,0|2,0,1]=4 544 B14R1.818 CC(NC(=O)CCc1ccccc1)C Amb1835404 [0,1,0,0,0,0|1,0,2]=4 545 B14R1.818 CC(O)CC(=O)NNc1ccccc1 Amb24534914 [0,1,0,0,0,0|3,0,0]=4 546 B14R1.818 CC(O)CC(=O)OCc1ccccc1 Amb25683507 [0,1,0,0,0,0|2,0,1]=4 547 B14R1.818 CC(S)CC(=O)NCc1ccccc1 Amb24419856 [0,1,0,0,0,0|2,0,1]=4 548 B14R1.818 CN(C)N=C(N)\C=C\c1ccccc1 Amb25829519 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.818 C[C@@H](N)NC(=O)OCc1ccccc1 Amb25794194 [0,1,0,0,0,0|2,0,1]=4 550 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 Amb24659273 [0,1,0,0,0,0|2,0,1]=4 551 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 Amb24410941 [0,1,0,0,0,0|2,0,1]=4 552 B14R1.818 C[C@H](O)CC(=O)OCc1ccccc1 Amb24473364 [0,1,0,0,0,0|2,0,1]=4 553 B14R1.818 NC(=O)NC(=O)\C=C\c1ccccc1 Amb25291849 [0,1,0,0,0,0|2,0,1]=4 554 B14R1.6829 CONS(=O)(=O)\C=C\c1ccccc1 Amb20666087 [0,1,0,0,0,0|3,0,0]=4 555 B14R2.15 CCC1C(=O)NC1c2ccccc2 Amb2388317 [0,0,0,1,0,0|2,0,1]=4 556 B14R2.21 ClC1CCCC(=C1)c2ccccc2 Amb24655725 [0,0,0,1,0,0|2,0,1]=4 557 B14R2.21 NC1CCCC(=C1)c2ccccc2 Amb24724287 [0,0,0,1,0,0|2,0,1]=4 558 B14R2.21 O=C1C=C(C=NN1)c2ccccc2 Amb25859226 [0,0,0,1,0,0|2,0,1]=4 559 B14R2.21 O=C1C=C(N=CN1)c2ccccc2 Amb18001789 [0,0,0,1,0,0|2,0,1]=4 560 B14R2.21 O=C1C=C(OC=C1)c2ccccc2 Amb22750060 [0,0,0,1,0,0|2,0,1]=4 561 B14R2.21 O=C1CC(CCC1)c2ccccc2 Amb18065540 [0,0,0,1,0,0|1,0,2]=4 562 B14R2.21 O=C1CC(CCN1)c2ccccc2 Amb20171612 [0,0,0,1,0,0|1,0,2]=4 563 B14R2.21 O=C1CC(CCO1)c2ccccc2 Amb22499444 [0,0,0,1,0,0|0,0,2]=3 564 B14R2.21 O=C1CCCC(=C1)c2cc[n]cc2 Amb25730131 [0,0,0,1,0,0|2,0,0]=3 565 B14R2.21 O=C1CCCC(O1)c2ccccc2 Amb24118032 [0,0,0,1,0,0|2,0,1]=4 566 B14R2.21 O=C1CCC[C@@H](N1)c2ccccc2 Amb24759096 [0,0,0,1,0,0|2,0,1]=4 567 B14R2.21 O=C1CCC[C@@H](O1)c2ccccc2 Amb25097059 [0,0,0,1,0,0|2,0,1]=4 568 B14R2.21 O=C1CCC[C@H](N1)c2ccccc2 Amb25131134 [0,0,0,1,0,0|2,0,1]=4 569 B14R2.21 O=C1CCC[C@H](O1)c2ccccc2 Amb25100832 [0,0,0,1,0,0|2,0,1]=4 570 B14R2.21 O=C1CCNC(=N1)c2ccccc2 Amb25053953 [0,0,0,1,0,0|3,0,0]=4 571 B14R2.21 O=C1CCOC(=C1)c2ccccc2 Amb22750040 [0,0,0,1,0,0|2,0,0]=3 572 B14R2.21 O=C1CN(CCC1)c2ccccc2 Amb19958729 [0,0,0,1,0,0|2,0,1]=4 573 B14R2.21 O=C1CP(CCN1)c2ccccc2 Amb25105493 [0,0,0,1,0,0|2,0,1]=4 574 B14R2.21 O=C1C[C@@H](CCC1)c2ccccc2 Amb22745610 [0,0,0,1,0,0|1,0,2]=4 575 B14R2.21 O=C1C[C@@H](CCO1)c2ccccc2 Amb25113432 [0,0,0,1,0,0|0,0,2]=3 576 B14R2.21 O=C1C[C@H](CCN1)c2ccccc2 Amb25191711 [0,0,0,1,0,0|1,0,2]=4 577 B14R2.21 O=C1NC(CCN1)c2ccccc2 Amb25733512 [0,0,0,1,0,0|2,0,1]=4 578 B14R2.21 O=C1NC(CCO1)c2cc[n]cc2 Amb25795538 [0,0,0,1,0,0|2,0,1]=4 579 B14R2.21 O=C1NCC=C(N1)c2ccccc2 Amb25798331 [0,0,0,1,0,0|2,0,1]=4 580 B14R2.21 O=C1NCC=C(O1)c2ccccc2 Amb23596887 [0,0,0,1,0,0|2,0,1]=4 581 B14R2.21 O=C1NCCC(O1)c2ccccc2 Amb25081073 [0,0,0,1,0,0|2,0,1]=4 582 B14R2.21 O=C1NN(CCN1)c2ccccc2 Amb25190360 [0,0,0,1,0,0|3,0,0]=4 583 B14R2.21 O=C1N[C@@H](CCN1)c2ccccc2 Amb25288289 [0,0,0,1,0,0|2,0,1]=4 584 B14R2.21 O=C1N[C@@H](CCO1)c2ccccc2 Amb25153780 [0,0,0,1,0,0|1,0,1]=3 585 B14R2.21 O=C1N[C@H](CCN1)c2ccccc2 Amb24441525 [0,0,0,1,0,0|2,0,1]=4 586 B14R2.21 O=C1N[C@H](CCO1)c2cc[n]cc2 Amb25156414 [0,0,0,1,0,0|2,0,1]=4 587 B14R2.21 O=C1N[C@H](CCO1)c2ccc[n]c2 Amb25156419 [0,0,0,1,0,0|2,0,1]=4 588 B14R2.21 O=C1N[C@H](CCO1)c2cccc[n]2 Amb25153779 [0,0,0,1,0,0|2,0,1]=4 589 B14R2.21 O=C1N[C@H](CCO1)c2ccccc2 Amb24427391 [0,0,0,1,0,0|1,0,1]=3 590 B14R2.21 O[C@@H]1CCCC(=C1)c2ccccc2 Amb24412950 [0,0,0,1,0,0|1,0,2]=4 591 B14R2.21 O[C@H]1CCCC(=C1)c2ccccc2 Amb25712076 [0,0,0,1,0,0|1,0,2]=4 592 B14R2.30 CC/1NCC\C1=C/c2ccccc2 Amb18127119 [0,0,0,1,0,0|2,0,1]=4 593 B14R2.30 CC/1NCC\C1=C\c2ccccc2 Amb25268253 [0,0,0,1,0,0|2,0,1]=4 594 B14R2.30 C[C@H]/1NCC\C1=C/c2ccccc2 Amb24637949 [0,0,0,1,0,0|2,0,1]=4 595 B14R2.30 O=C/1CCC\C1=C/c2cccc[n]2 Amb23456359 [0,0,0,1,0,0|2,0,0]=3 596 B14R2.30 O=C/1CCC\C1=C/c2ccccc2 Amb1198712 [0,0,0,1,0,0|1,0,0]=2 597 B14R2.30 O=C/1CCC\C1=C/c2ccncc2 Amb1486635 [0,0,0,1,0,0|2,0,0]=3 598 B14R2.30 O=C/1CCC\C1=C\c2c[n]ccc2 Amb24690620 [0,0,0,1,0,0|2,0,0]=3 599 B14R2.30 O=C/1CCC\C1=C\c2cc[n]cc2 Amb25190303 [0,0,0,1,0,0|2,0,0]=3 600 B14R2.30 O=C/1CCC\C1=C\c2cccc[n]2 Amb25373104 [0,0,0,1,0,0|2,0,0]=3 601 B14R2.30 O=C/1CCC\C1=N\c2ccccc2 Amb25192573 [0,0,0,1,0,0|2,0,0]=3 602 B14R2.30 O=C/1NCC\C1=C/c2cccc[n]2 Amb24441545 [0,0,0,1,0,0|2,0,0]=3 603 B14R2.30 O=C/1NCC\C1=C/c2ccccc2 Amb22643155 [0,0,0,1,0,0|1,0,0]=2 604 B14R2.30 O=C1C=CCC1=Cc2ccccc2 Amb24598982 [0,0,0,1,0,0|1,0,1]=3 605 B14R2.30 O=C1CCC=C1Nc2ccccc2 Amb24490381 [0,0,0,1,0,0|2,0,1]=4 606 B14R2.30 O=C1CCCC1Oc2ccccc2 Amb24357248 [0,0,0,1,0,0|2,0,1]=4 607 B14R2.30 O=C1CCC[C@H]1Cc2ccccc2 Amb25767011 [0,0,0,1,0,0|1,0,2]=4 608 B14R2.30 O=C1NC=NC1=Cc2ccccc2 Amb25837555 [0,0,0,1,0,0|2,0,1]=4 609 B14R2.30 O=C1NCCC1Cc2ccccc2 Amb22643153 [0,0,0,1,0,0|1,0,2]=4 610 B14R2.30 O=C1NCCN1Cc2ccccc2 Amb15701493 [0,0,0,1,0,0|2,0,1]=4 611 B14R2.30 O=C1OCC=C1Nc2ccccc2 Amb25216120 [0,0,0,1,0,0|1,0,1]=3 612 B14R2.30 O=C1OCC=C1Sc2ccccc2 Amb21928057 [0,0,0,1,0,0|1,0,1]=3 613 B14R2.30 O=C1OCCC1=Cc2ccccc2 Amb24097489 [0,0,0,1,0,0|0,0,0]=1 614 B14R2.30 O=C1OCCC1Nc2ccccc2 Amb25743171 [0,0,0,1,0,0|1,0,1]=3 615 B14R2.30 O=C1OCCN1Cc2ccccc2 Amb25808956 [0,0,0,1,0,0|1,0,1]=3 616 B14R2.30 O[C@@H]/1CCC\C1=C/c2ccccc2 Amb25097874 [0,0,0,1,0,0|1,0,2]=4 617 B14R2.52 C=C1CC(O)c2ccccc2C=C1 Amb24355238 [0,0,0,1,0,0|3,0,0]=4 618 B14R2.101 C(NC1=NCCO1)c2ccccc2 Amb24680280 [0,0,0,1,0,0|2,0,1]=4 619 B14R2.101 C(\N=C/1\CCCO1)c2ccccc2 Amb24452625 [0,0,0,1,0,0|2,0,1]=4 620 B14R2.101 C/1CCO\C1=C\Nc2ccccc2 Amb24621251 [0,0,0,1,0,0|2,0,0]=3 621 B14R2.101 C1CCC(C=Cc2ccccc2)N1 Amb23536589 [0,0,0,1,0,0|2,0,1]=4 622 B14R2.101 C1CCC(\C=C\c2ccccc2)N1 Amb24435044 [0,0,0,1,0,0|2,0,1]=4 623 B14R2.101 C1CN=C(\C=C\c2ccccc2)N1 Amb24664157 [0,0,0,1,0,0|2,0,0]=3 624 B14R2.101 C1CNC(\C=C\c2ccc[n]c2)=N1 Amb25858782 [0,0,0,1,0,0|3,0,0]=4 625 B14R2.101 C1CNC(\C=C\c2ccccc2)N1 Amb24571640 [0,0,0,1,0,0|2,0,1]=4 626 B14R2.101 C1CN[C@@H](C1)\C=C\c2ccccc2 Amb10567260 [0,0,0,1,0,0|2,0,1]=4 627 B14R2.101 C1COB(\C=C\c2ccccc2)O1 Amb24543987 [0,0,0,1,0,0|1,0,1]=3 628 B14R2.101 C1CSC(\C=C\c2ccccc2)S1 Amb25721955 [0,0,0,1,0,0|0,2,1]=4 629 B14R2.101 C1NC(\C=C\c2ccccc2)=NO1 Amb25310673 [0,0,0,1,0,0|3,0,0]=4 630 B14R2.101 c1ccc(cc1)\C=C\C2=NCCS2 Amb10573094 [0,0,0,1,0,0|1,1,0]=3 631 B14R2.112 BrCCc1ccc2ccccc2[n]1 Amb25113626 [0,0,0,1,0,0|3,0,0]=4 632 B14R2.112 CCCc1c[n]c2ccccc2[n]1 Amb24084967 [0,0,0,1,0,0|3,0,0]=4 633 B14R2.112 CCCc1cc2ccccc2[n]c1 Amb25131731 [0,0,0,1,0,0|3,0,0]=4 634 B14R2.112 CCNc1[n]c2ccccc2c[n]1 Amb25347689 [0,0,0,1,0,0|3,0,0]=4 635 B14R2.112 CCNc1c[n]c2ccccc2[n]1 Amb18285469 [0,0,0,1,0,0|3,0,0]=4 636 B14R2.112 CCNc1cc2ccc[n]c2cc1 Amb18962798 [0,0,0,1,0,0|3,0,0]=4 637 B14R2.112 CCNc1cc2ccccc2cc1 Amb24325293 [0,0,0,1,0,0|2,0,0]=3 638 B14R2.112 CCOC1C=Cc2ccccc2N1 Amb24615224 [0,0,0,1,0,0|1,0,1]=3 639 B14R2.112 CCOC1C=Cc2ccccc2O1 Amb24084263 [0,0,0,1,0,0|0,0,2]=3 640 B14R2.112 CCOc1c[n]c2ccccc2[n]1 Amb24083964 [0,0,0,1,0,0|2,0,0]=3 641 B14R2.112 CCOc1cc2C=CCNc2cc1 Amb24366041 [0,0,0,1,0,0|2,0,1]=4 642 B14R2.112 CCOc1cc2[n]cc[n]c2cc1 Amb24091640 [0,0,0,1,0,0|3,0,0]=4 643 B14R2.112 CCOc1cc2c[n]c[n]c2cc1 Amb24476307 [0,0,0,1,0,0|3,0,0]=4 644 B14R2.112 CCOc1cc2c[n]ccc2cc1 Amb24092060 [0,0,0,1,0,0|2,0,0]=3 645 B14R2.112 CCOc1cc2cc[n]cc2cc1 Amb24091639 [0,0,0,1,0,0|2,0,0]=3 646 B14R2.112 CCOc1cc2ccc[n]c2cc1 Amb19106597 [0,0,0,1,0,0|2,0,0]=3 647 B14R2.112 CCOc1cc2ccccc2[n]c1 Amb25138490 [0,0,0,1,0,0|2,0,0]=3 648 B14R2.112 CCOc1ccc2OCC=Cc2c1 Amb23441462 [0,0,0,1,0,0|2,0,1]=4 649 B14R2.112 CCOc1ccc2c(n1)cccc2 Amb15691601 [0,0,0,1,0,0|1,0,0]=2 650 B14R2.112 CCSc1cc2ccccc2cc1 Amb24359866 [0,0,0,1,0,0|1,1,0]=3 651 B14R2.112 CNCc1ccc2c(c1)cccc2 Amb1106022 [0,0,0,1,0,0|3,0,0]=4 652 B14R2.112 COCc1ccc2ccccc2[n]1 Amb24065155 [0,0,0,1,0,0|3,0,0]=4 653 B14R2.112 ClCCc1ccc2ccccc2[n]1 Amb25849148 [0,0,0,1,0,0|3,0,0]=4 654 B14R2.112 ICCc1cc2ccccc2cc1 Amb24534558 [0,0,0,1,0,0|3,0,0]=4 655 B14R2.203 BrCc1c(I)ccc2ccccc21 Amb25351584 [0,0,0,1,0,0|3,0,0]=4 656 B14R2.203 Brc1ccc2ccccc2c1CBr Amb22040437 [0,0,0,1,0,0|3,0,0]=4 657 B14R2.203 C=C1C=Cc2ccccc2C1CO Amb24404781 [0,0,0,1,0,0|3,0,0]=4 658 B14R2.203 CCC1C(=O)CCc2ccccc21 Amb25084971 [0,0,0,1,0,0|1,0,2]=4 659 B14R2.203 CCC1C(=O)COc2ccccc21 Amb24492409 [0,0,0,1,0,0|2,0,1]=4 660 B14R2.203 CCN1C(=O)C=Cc2ccccc12 Amb22360524 [0,0,0,1,0,0|1,0,0]=2 661 B14R2.203 CCN1C(=O)COc2c1cccc2 Amb17096162 [0,0,0,1,0,0|2,0,1]=4 662 B14R2.203 CCN1C(=S)C=Cc2ccccc12 Amb20247294 [0,0,0,1,0,0|1,1,0]=3 663 B14R2.203 CC[n+]1c(C)ccc2c1cccc2 Amb1144527 [0,0,0,1,0,0|2,0,0]=3 664 B14R2.203 CCc1c(Br)c[n]c2ccccc21 Amb24727501 [0,0,0,1,0,0|3,0,0]=4 665 B14R2.203 CCc1c(F)c[n]c2ccccc21 Amb25667923 [0,0,0,1,0,0|3,0,0]=4 666 B14R2.203 CCc1c(N)ccc2ccc[n]c21 Amb25858789 [0,0,0,1,0,0|3,0,0]=4 667 B14R2.203 CCc1c(O)ccc2ccccc21 Amb25833618 [0,0,0,1,0,0|1,0,1]=3 668 B14R2.203 CNc1c(N)ccc2ccccc21 Amb18126932 [0,0,0,1,0,0|3,0,0]=4 669 B14R2.203 CNc1c(O)ccc2ccccc21 Amb18553328 [0,0,0,1,0,0|2,0,1]=4 670 B14R2.203 CON1C(=O)C=Cc2ccccc12 Amb25064680 [0,0,0,1,0,0|2,0,0]=3 671 B14R2.203 COc1c(Br)ccc2ccccc21 Amb18559387 [0,0,0,1,0,0|3,0,0]=4 672 B14R2.203 COc1c(I)ccc2ccccc21 Amb25237394 [0,0,0,1,0,0|3,0,0]=4 673 B14R2.203 COc1c(N)ccc2ccccc21 Amb18127046 [0,0,0,1,0,0|3,0,0]=4 674 B14R2.203 COc1c(O)ccc2ccccc21 Amb18127193 [0,0,0,1,0,0|2,0,1]=4 675 B14R2.203 Cc1[n]cc2ccccc2c1CC Amb24743965 [0,0,0,1,0,0|3,0,0]=4 676 B14R2.203 Cc1ccc2ccccc2c1CBr Amb24080215 [0,0,0,1,0,0|3,0,0]=4 677 B14R2.203 Cc1ccc2ccccc2c1CN Amb18051856 [0,0,0,1,0,0|3,0,0]=4 678 B14R2.203 Cc1ccc2ccccc2c1NC Amb18553377 [0,0,0,1,0,0|3,0,0]=4 679 B14R2.203 Cc1ccc2ccccc2c1OC Amb25829445 [0,0,0,1,0,0|3,0,0]=4 680 B14R2.203 ClCc1c(O)ccc2c1cccc2 Amb17477547 [0,0,0,1,0,0|2,0,1]=4 681 B14R2.203 Fc1ccc2ccccc2c1CCl Amb24055306 [0,0,0,1,0,0|3,0,0]=4 682 B14R2.203 NCc1c(Br)ccc2ccccc21 Amb25091804 [0,0,0,1,0,0|3,0,0]=4 683 B14R2.203 NCc1c(F)ccc2ccccc21 Amb24054596 [0,0,0,1,0,0|3,0,0]=4 684 B14R2.203 NCc1c(I)ccc2ccccc21 Amb25324000 [0,0,0,1,0,0|3,0,0]=4 685 B14R2.203 NCc1c(O)ccc2c1cccc2 Amb1133018 [0,0,0,1,0,0|2,0,1]=4 686 B14R2.203 NCc1c(O)ccc2c1cccc2 Amb1993926 [0,0,0,1,0,0|2,0,1]=4 687 B14R2.203 OCc1c(Br)ccc2ccccc21 Amb25778121 [0,0,0,1,0,0|3,0,0]=4 688 B14R2.203 OCc1c(Cl)ccc2ccccc21 Amb25808641 [0,0,0,1,0,0|3,0,0]=4 689 B14R2.203 OCc1c(O)ccc2c1cccc2 Amb1111444 [0,0,0,1,0,0|2,0,1]=4 690 B14R2.203 O\N=C/1\C(=O)C=Cc2ccccc21 Amb19748272 [0,0,0,1,0,0|3,0,0]=4 691 B14R2.203 Oc1ccc2ccccc2c1CBr Amb25211050 [0,0,0,1,0,0|2,0,1]=4 692 B14R2.280 O=C1CCCc2ccccc2C=C1 Amb24408507 [0,0,0,1,0,0|1,0,0]=2 693 B14R2.280 O=C1COc2ccccc2CCN1 Amb24398696 [0,0,0,1,0,0|2,0,1]=4 694 B14R2.344 C[C@H]1C[C@]1(N)\C=C\c2ccccc2 Amb24595749 [0,0,0,1,0,0|2,0,1]=4 695 B14R2.598 Brc1sc(c(c1)c2ccccc2)C Amb10600995 [0,0,0,1,0,0|1,1,1]=4 696 B14R2.598 CC1CC(=O)C=C1c2ccccc2 Amb25112554 [0,0,0,1,0,0|1,0,0]=2 697 B14R2.598 CC1CC(=O)NC1c2ccccc2 Amb24715638 [0,0,0,1,0,0|2,0,1]=4 698 B14R2.598 CC1NC(=O)OC1c2ccccc2 Amb10845025 [0,0,0,1,0,0|2,0,1]=4 699 B14R2.598 CC1NC(C)C=C1c2ccccc2 Amb24489052 [0,0,0,1,0,0|2,0,1]=4 700 B14R2.598 CC1OC(=O)NC1c2ccccc2 Amb25759483 [0,0,0,1,0,0|1,0,1]=3 701 B14R2.598 CC1OC(=O)OC1c2ccccc2 Amb25263220 [0,0,0,1,0,0|1,0,1]=3 702 B14R2.598 CC1OC(=S)NC1c2ccccc2 Amb25077303 [0,0,0,1,0,0|1,1,1]=4 703 B14R2.598 CC1OC(N)=NC1c2ccccc2 Amb24710185 [0,0,0,1,0,0|2,0,1]=4 704 B14R2.598 CC=1NC(=O)SC1c2ccccc2 Amb19041231 [0,0,0,1,0,0|2,0,1]=4 705 B14R2.598 CC=1SC(=O)NC1c2ccccc2 Amb19078561 [0,0,0,1,0,0|1,1,1]=4 706 B14R2.598 C[C@@H]1CC(=O)C[C@@H]1c2ccccc2 Amb25373264 [0,0,0,1,0,0|1,0,2]=4 707 B14R2.598 C[C@@H]1CC(=O)C[C@H]1c2ccccc2 Amb24584459 [0,0,0,1,0,0|1,0,2]=4 708 B14R2.598 C[C@@H]1CC(=O)N[C@H]1c2ccccc2 Amb24585758 [0,0,0,1,0,0|2,0,1]=4 709 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1c2ccccc2 Amb10068685 [0,0,0,1,0,0|2,0,1]=4 710 B14R2.598 C[C@@H]1NC(=O)O[C@H]1c2ccccc2 Amb17617584 [0,0,0,1,0,0|2,0,1]=4 711 B14R2.598 C[C@@H]1OC(=O)N[C@@H]1c2ccccc2 Amb25226668 [0,0,0,1,0,0|1,0,1]=3 712 B14R2.598 C[C@@H]1OC(=O)N[C@H]1c2ccccc2 Amb25220629 [0,0,0,1,0,0|1,0,1]=3 713 B14R2.598 C[C@H]1CC(=O)C[C@H]1c2ccccc2 Amb24583010 [0,0,0,1,0,0|1,0,2]=4 714 B14R2.598 C[C@H]1CC(=O)N[C@@H]1c2ccccc2 Amb25231239 [0,0,0,1,0,0|2,0,1]=4 715 B14R2.598 C[C@H]1NC(=O)OC1c2ccccc2 Amb24534608 [0,0,0,1,0,0|2,0,1]=4 716 B14R2.598 C[C@H]1NC(=O)S[C@@H]1c2ccccc2 Amb24599009 [0,0,0,1,0,0|2,0,1]=4 717 B14R2.598 C[C@H]1NC(=O)S[C@H]1c2ccccc2 Amb24610222 [0,0,0,1,0,0|2,0,1]=4 718 B14R2.598 C[n]1[n]c(Cl)cc1-c2ccccc2 Amb24754125 [0,0,0,1,0,0|3,0,0]=4 719 B14R2.598 C[n]1[n]c(N)cc1-c2ccccc2 Amb18647737 [0,0,0,1,0,0|3,0,0]=4 720 B14R2.598 C[n]1oc(=O)cc1-c2ccccc2 Amb24065754 [0,0,0,1,0,0|1,0,0]=2 721 B14R2.598 Cc1cc(-c2ccccc2)[n](C)[n]1 Amb25731051 [0,0,0,1,0,0|3,0,0]=4 722 B14R2.598 Cc1cc(c(C)[nH]1)-c2ccccc2 Amb17666662 [0,0,0,1,0,0|2,0,1]=4 723 B14R2.598 Cc1oc(Br)[n]c1-c2ccccc2 Amb24469951 [0,0,0,1,0,0|2,0,1]=4 724 B14R2.598 Cc1oc(N)[n]c1-c2ccccc2 Amb18279626 [0,0,0,1,0,0|2,0,1]=4 725 B14R2.598 Nc1sc(c(c1)c2ccccc2)C Amb17096063 [0,0,0,1,0,0|1,1,1]=4 726 B14R2.598 O=C1NC(=O)C=C1c2ccccc2 Amb17334915 [0,0,0,1,0,0|2,0,1]=4 727 B14R2.598 O=C1OC(=O)C=C1c2ccccc2 Amb2431774 [0,0,0,1,0,0|1,0,1]=3 728 B14R2.598 OC1CC(=O)C=C1c2ccccc2 Amb25371913 [0,0,0,1,0,0|2,0,0]=3 729 B14R2.598 OC1OC(=O)CC1c2ccccc2 Amb25058513 [0,0,0,1,0,0|1,0,2]=4 730 B14R2.598 OC1OC(=O)C[C@H]1c2ccccc2 Amb24748335 [0,0,0,1,0,0|1,0,2]=4 731 B14R2.598 OC1OC(=O)OC1c2ccccc2 Amb25788943 [0,0,0,1,0,0|2,0,1]=4 732 B14R2.598 Oc1oc(Br)cc1-c2ccccc2 Amb18732494 [0,0,0,1,0,0|2,0,1]=4 733 B14R2.737 CC/1NC(=O)\C1=C/c2ccccc2 Amb24682076 [0,0,0,1,0,0|1,0,0]=2 734 B14R2.737 CC1NC(=O)C1Cc2ccccc2 Amb24493901 [0,0,0,1,0,0|1,0,2]=4 735 B14R2.737 C[C@@H]/1NC(=O)\C1=C\c2ccccc2 Amb24391581 [0,0,0,1,0,0|1,0,0]=2 736 B14R2.737 C[C@H]1NC(=O)C1Cc2ccccc2 Amb24462781 [0,0,0,1,0,0|1,0,2]=4 737 B14R2.737 C[C@H]1NC(=O)[C@H]1Cc2ccccc2 Amb24588441 [0,0,0,1,0,0|1,0,2]=4 738 B14R2.2899 O=C(C1CC1)NNc2ccccc2 Amb1229321 [0,0,0,1,0,0|3,0,0]=4 739 B14R2.2899 O=C(C1CC1)\C=C\c2ccccc2 Amb1796193 [0,0,0,1,0,0|1,0,0]=2 740 B14R2.2899 O=C(CNc1ccccc1)C2CC2 Amb25153575 [0,0,0,1,0,0|2,0,1]=4 741 B14R2.2899 O=C(OCc1ccccc1)C2CC2 Amb25739352 [0,0,0,1,0,0|2,0,1]=4 742 B14R2.2899 O=C(\C=C/c1ccccc1)C2CC2 Amb24492458 [0,0,0,1,0,0|1,0,0]=2 743 B14R2.2899 O=C(\C=C\c1c[n]cc[n]1)N2CC2 Amb25056491 [0,0,0,1,0,0|3,0,0]=4 744 B14R2.2899 O=C(\C=C\c1ccc[n]c1)C2CC2 Amb25817961 [0,0,0,1,0,0|2,0,0]=3 745 B14R2.2899 O=C(\C=C\c1ccccc1)C2CO2 Amb25210675 [0,0,0,1,0,0|2,0,0]=3 746 B14R2.2899 O=C(\C=C\c1ccccc1)N2CC2 Amb25817960 [0,0,0,1,0,0|1,0,0]=2 747 B14R2.2899 OC(\C=C\c1ccccc1)C2CC2 Amb25697615 [0,0,0,1,0,0|1,0,2]=4 748 B14R2.33858 CCCC(=O)C1Cc2ccccc21 Amb24737559 [0,0,0,1,0,0|1,0,2]=4 749 B14R2.33858 CCNC(=O)C1Cc2ccccc21 Amb25039759 [0,0,0,1,0,0|1,0,2]=4 750 B12R1.32 BrCCC(=O)Nc1ccccc1 Amb16191990 [0,0,0,0,1,0|3,0,0]=4 751 B12R1.32 C=COC(=O)Cc1ccccc1 Amb17934203 [0,0,0,0,1,0|0,0,3]=4 752 B12R1.32 C=NOC(=O)Nc1ccccc1 Amb24420620 [0,0,0,0,1,0|2,0,1]=4 753 B12R1.32 CC#CC(=O)Nc1ccccc1 Amb17940360 [0,0,0,0,1,0|2,0,1]=4 754 B12R1.32 CCCC(=N)Nc1ccccc1 Amb24096810 [0,0,0,0,1,0|3,0,0]=4 755 B12R1.32 CCC\C(\I)=C/c1ccccc1 Amb22546627 [0,0,0,0,1,0|2,0,0]=3 756 B12R1.32 CCNC(=N)Nc1ccccc1 Amb18798223 [0,0,0,0,1,0|3,0,0]=4 757 B12R1.32 CCNC(=O)Cc1c[n]ccc1 Amb25725646 [0,0,0,0,1,0|2,0,1]=4 758 B12R1.32 CCNC(=O)Cc1cc[n]cc1 Amb25205151 [0,0,0,0,1,0|2,0,1]=4 759 B12R1.32 CCNC(=O)Nc1cccc[n]1 Amb25240072 [0,0,0,0,1,0|3,0,0]=4 760 B12R1.32 CCNC(=O)Nc1ccccc1 Amb1233665 [0,0,0,0,1,0|2,0,0]=3 761 B12R1.32 CCNC(=O)Nc1cccnc1 Amb13958674 [0,0,0,0,1,0|3,0,0]=4 762 B12R1.32 CCNC(=O)Sc1ccccc1 Amb25827115 [0,0,0,0,1,0|2,0,0]=3 763 B12R1.32 CCNC(=S)Cc1ccccc1 Amb24066800 [0,0,0,0,1,0|1,1,1]=4 764 B12R1.32 CCNC(=S)Nc1ccccc1 Amb2548953 [0,0,0,0,1,0|2,1,0]=4 765 B12R1.32 CCO/C(C)=N/c1ccccc1 Amb17939699 [0,0,0,0,1,0|2,0,0]=3 766 B12R1.32 CCOC(=N)Cc1cc[n]cc1 Amb18800815 [0,0,0,0,1,0|2,0,1]=4 767 B12R1.32 CCOC(=N)Cc1cccc[n]1 Amb18792558 [0,0,0,0,1,0|2,0,1]=4 768 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [0,0,0,0,1,0|1,0,1]=3 769 B12R1.32 CCOC(=N)Nc1ccccc1 Amb24496991 [0,0,0,0,1,0|2,0,0]=3 770 B12R1.32 CCOC(=O)C=C1C=COC=C1 Amb25848212 [0,0,0,0,1,0|1,0,0]=2 771 B12R1.32 CCOC(=O)C[n+]1ccncc1 Amb2228081 [0,0,0,0,1,0|2,0,1]=4 772 B12R1.32 CCOC(=O)Cc1c[n]c[n]c1 Amb18801018 [0,0,0,0,1,0|2,0,1]=4 773 B12R1.32 CCOC(=O)Cc1c[n]cc[n]1 Amb23399648 [0,0,0,0,1,0|2,0,1]=4 774 B12R1.32 CCOC(=O)Cc1c[n]ccc1 Amb22478803 [0,0,0,0,1,0|1,0,1]=3 775 B12R1.32 CCOC(=O)Cc1cc[n]c[n]1 Amb22001936 [0,0,0,0,1,0|2,0,1]=4 776 B12R1.32 CCOC(=O)Cc1cc[n]cc1 Amb20621993 [0,0,0,0,1,0|1,0,1]=3 777 B12R1.32 CCOC(=O)Cc1ccc[n][n]1 Amb23440008 [0,0,0,0,1,0|2,0,1]=4 778 B12R1.32 CCOC(=O)Cc1ncccn1 Amb17935863 [0,0,0,0,1,0|2,0,1]=4 779 B12R1.32 CCOC(=O)N[n+]1ccccc1 Amb10560832 [0,0,0,0,1,0|2,0,0]=3 780 B12R1.32 CCOC(=O)Nc1ccncn1 Amb17602618 [0,0,0,0,1,0|3,0,0]=4 781 B12R1.32 CCOC(=O)Nc1ncccn1 Amb17862869 [0,0,0,0,1,0|3,0,0]=4 782 B12R1.32 CCOC(=S)Nc1cc[n]cc1 Amb25293795 [0,0,0,0,1,0|2,1,0]=4 783 B12R1.32 CCOC(=S)Nc1cccc[n]1 Amb24640228 [0,0,0,0,1,0|2,1,0]=4 784 B12R1.32 CCSC(=N)Nc1ccccc1 Amb17614151 [0,0,0,0,1,0|2,1,0]=4 785 B12R1.32 CCSC(=O)Nc1cccc[n]1 Amb25131179 [0,0,0,0,1,0|2,1,0]=4 786 B12R1.32 CCSC(=O)Nc1ccccc1 Amb24310273 [0,0,0,0,1,0|1,1,0]=3 787 B12R1.32 CCSC(=S)Nc1ccccc1 Amb24757680 [0,0,0,0,1,0|1,2,0]=4 788 B12R1.32 CCS\C(=N\c1ccccc1)\N Amb11230603 [0,0,0,0,1,0|2,1,0]=4 789 B12R1.32 CC[N]C(=S)Nc1ccccc1 Amb22731669 [0,0,0,0,1,0|2,1,0]=4 790 B12R1.32 CC\N=C(\N)/Cc1ccccc1 Amb23569052 [0,0,0,0,1,0|2,0,1]=4 791 B12R1.32 CNC\C(=C\c1ccccc1)\C Amb17100030 [0,0,0,0,1,0|3,0,0]=4 792 B12R1.32 CONC(=O)Cc1ccccc1 Amb16969924 [0,0,0,0,1,0|2,0,1]=4 793 B12R1.32 CONC(=O)Oc1ccccc1 Amb16969957 [0,0,0,0,1,0|3,0,0]=4 794 B12R1.32 CSCC(=O)Nc1ccccc1 Amb2373904 [0,0,0,0,1,0|3,0,0]=4 795 B12R1.32 C[SiH2]OC(=O)Nc1ccccc1 Amb24682546 [0,0,0,0,1,0|1,1,0]=3 796 B12R1.32 C\C(=C\CC)\Nc1ccccc1 Amb25678437 [0,0,0,0,1,0|3,0,0]=4 797 B12R1.32 C\C(\CCBr)=C/c1ccccc1 Amb18063581 [0,0,0,0,1,0|3,0,0]=4 798 B12R1.32 C\C(\CCN)=C/c1ccccc1 Amb18063553 [0,0,0,0,1,0|3,0,0]=4 799 B12R1.32 C\C(\CCO)=C\c1ccccc1 Amb24576953 [0,0,0,0,1,0|3,0,0]=4 800 B12R1.32 C\C=C\C(=O)Nc1ccccc1 Amb24497299 [0,0,0,0,1,0|2,0,1]=4 801 B12R1.32 ClCCC(=O)Oc1ccccc1 Amb16230794 [0,0,0,0,1,0|3,0,0]=4 802 B12R1.32 NCCC(=O)Nc1ccccc1 Amb1125528 [0,0,0,0,1,0|3,0,0]=4 803 B12R1.32 NCCC(=O)Nc1ccccc1 Amb15740909 [0,0,0,0,1,0|3,0,0]=4 804 B12R1.32 NCCC(=O)Oc1ccccc1 Amb17334633 [0,0,0,0,1,0|3,0,0]=4 805 B12R1.32 O=C(CCF)Nc1ccccc1 Amb25276540 [0,0,0,0,1,0|3,0,0]=4 806 B12R1.32 O=C(CCI)Nc1ccccc1 Amb23447340 [0,0,0,0,1,0|3,0,0]=4 807 B12R1.32 OCNC(=O)Oc1ccccc1 Amb10552983 [0,0,0,0,1,0|3,0,0]=4 808 B12R1.32 SCCC(=O)Nc1ccccc1 Amb17305724 [0,0,0,0,1,0|3,0,0]=4 809 B12R1.51 CC#CC(=O)\C=C\c1cc[s]c1 Amb24577828 [0,0,0,0,1,0|2,0,1]=4 810 B12R1.51 CC#CC(=O)\C=C\c1ccco1 Amb24721789 [0,0,0,0,1,0|2,0,1]=4 811 B12R1.51 CCNC(=O)/C=C/c1ccco1 Amb17869798 [0,0,0,0,1,0|2,0,0]=3 812 B12R1.51 CCNC(=O)/C=C/c1cccs1 Amb17786755 [0,0,0,0,1,0|2,0,0]=3 813 B12R1.51 CCNC(=O)\C=C\c1[n]cc[s]1 Amb25296030 [0,0,0,0,1,0|3,0,0]=4 814 B12R1.51 CCNC(=O)\C=C\c1c[nH]cc1 Amb24397725 [0,0,0,0,1,0|2,0,0]=3 815 B12R1.51 CCNC(=O)\C=C\c1c[n]c[s]1 Amb24343583 [0,0,0,0,1,0|3,0,0]=4 816 B12R1.51 CCNC(=O)\C=C\c1c[s]c[n]1 Amb24473732 [0,0,0,0,1,0|3,0,0]=4 817 B12R1.51 CCNC(=O)\C=C\c1cc[s]c1 Amb25345688 [0,0,0,0,1,0|2,0,0]=3 818 B12R1.51 CCOC(=O)C#Cc1ccc[nH]1 Amb24525754 [0,0,0,0,1,0|1,0,2]=4 819 B12R1.51 CCOC(=O)C=Cc1c[nH]c[nH+]1 Amb22452697 [0,0,0,0,1,0|2,0,0]=3 820 B12R1.51 CCOC(=O)CC[n]1cccc1 Amb18788581 [0,0,0,0,1,0|1,0,2]=4 821 B12R1.51 CCOC(=O)CCc1cc[s]c1 Amb22001102 [0,0,0,0,1,0|1,0,2]=4 822 B12R1.51 CCOC(=O)NCc1cscc1 Amb10945327 [0,0,0,0,1,0|2,0,1]=4 823 B12R1.51 CCOC(=O)\C=C\c1cc[s]c1 Amb22388596 [0,0,0,0,1,0|1,0,0]=2 824 B12R1.51 CCOC(=O)\C=C\c1ccc[s]1 Amb21858181 [0,0,0,0,1,0|1,0,0]=2 825 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [0,0,0,0,1,0|1,0,0]=2 826 B12R1.51 C\C=C\C(=O)C=Cc1ccc[s]1 Amb24662366 [0,0,0,0,1,0|2,0,1]=4 827 B12R1.51 C\C=C\C(=O)\C=C\c1ccc[s]1 Amb24496106 [0,0,0,0,1,0|2,0,1]=4 828 B12R1.51 C\C=C\C(=O)\C=C\c1ccco1 Amb25717785 [0,0,0,0,1,0|2,0,1]=4 829 B12R1.51 OCNC(=O)\C=C\c1ccco1 Amb25255369 [0,0,0,0,1,0|3,0,0]=4 830 B14R1.520 CC#CC(=O)\C=C\Nc1ccccc1 Amb25046844 [0,0,0,0,0,1|1,0,1]=3 831 B14R1.520 CCCC(=O)CCCc1ccccc1 Amb17234943 [0,0,0,0,0,1|1,0,2]=4 832 B14R1.520 CCCC(=O)COCc1ccccc1 Amb19078959 [0,0,0,0,0,1|1,0,2]=4 833 B14R1.520 CCCC(=O)NOCc1ccccc1 Amb15742562 [0,0,0,0,0,1|2,0,1]=4 834 B14R1.520 CCCC(=O)N\N=C\c1ccccc1 Amb1624995 [0,0,0,0,0,1|2,0,0]=3 835 B14R1.520 CCCC(=O)\C=C\Nc1cccc[n]1 Amb24664394 [0,0,0,0,0,1|2,0,0]=3 836 B14R1.520 CCNC(=N)N\N=C\c1ccccc1 Amb25270107 [0,0,0,0,0,1|3,0,0]=4 837 B14R1.520 CCNC(=O)COCc1ccccc1 Amb24386300 [0,0,0,0,0,1|1,0,2]=4 838 B14R1.520 CCNC(=O)NOCc1ccccc1 Amb22460726 [0,0,0,0,0,1|2,0,1]=4 839 B14R1.520 CCNC(=O)N\N=C\c1ccccc1 Amb24413358 [0,0,0,0,0,1|2,0,0]=3 840 B14R1.520 CCOC(=C)CNCc1ccccc1 Amb24374594 [0,0,0,0,0,1|1,0,2]=4 841 B14R1.520 CCOC(=O)C#CCc1c[n]ccc1 Amb24377300 [0,0,0,0,0,1|1,0,2]=4 842 B14R1.520 CCOC(=O)C#CCc1cc[n]cc1 Amb25364795 [0,0,0,0,0,1|1,0,2]=4 843 B14R1.520 CCOC(=O)CCNc1ccccc1 Amb21961618 [0,0,0,0,0,1|0,0,2]=3 844 B14R1.520 CCOC(=O)CNCc1ccccc1 Amb20247257 [0,0,0,0,0,1|0,0,2]=3 845 B14R1.520 CCOC(=O)CNNc1ccccc1 Amb2228018 [0,0,0,0,0,1|1,0,1]=3 846 B14R1.520 CCOC(=O)NN=Cc1ccccc1 Amb24103594 [0,0,0,0,0,1|1,0,0]=2 847 B14R1.520 CCOC(=O)NNCc1ccccc1 Amb25183830 [0,0,0,0,0,1|1,0,1]=3 848 B14R1.520 CCOC(=O)N\C=C\c1ccccc1 Amb19987022 [0,0,0,0,0,1|0,0,0]=1 849 B14R1.520 CCOC(=O)N\C=N\c1c[n]ccc1 Amb25072607 [0,0,0,0,0,1|2,0,0]=3 850 B14R1.520 CCOC(=O)N\N=C\c1cccnc1 Amb1637634 [0,0,0,0,0,1|2,0,0]=3 851 B14R1.520 CCOC(=O)ONNc1ccccc1 Amb22438848 [0,0,0,0,0,1|2,0,0]=3 852 B14R1.520 CCOC(=O)\C=C\Cc1ccccc1 Amb10873144 [0,0,0,0,0,1|0,0,0]=1 853 B14R1.520 CCOC(=O)\C=C\Nc1[n]ccc[n]1 Amb25200928 [0,0,0,0,0,1|2,0,0]=3 854 B14R1.520 CCOC(=O)\C=C\Nc1ccccc1 Amb24563491 [0,0,0,0,0,1|0,0,0]=1 855 B14R1.520 CCSC([NH3+])=NN=Cc1ccccc1 Amb22493080 [0,0,0,0,0,1|2,1,0]=4 856 B14R1.520 C\C=C\C(=O)\C=C\Nc1ccccc1 Amb24400394 [0,0,0,0,0,1|1,0,1]=3 857 B14R1.520 N#CCC(=O)N\C=C/c1ccccc1 Amb24381403 [0,0,0,0,0,1|2,0,1]=4 858 B14R1.520 N#CCC(=O)N\C=C\c1ccccc1 Amb25296434 [0,0,0,0,0,1|2,0,1]=4 859 B11R0.4 CCOC(=O)C\C=C\C=C\C=C Amb17618812 [1,0,1,0,0,0|0,0,1]=3 860 B11R1.28 BrCC=C=Cc1ccccc1 Amb24624052 [2,0,0,0,0,0|1,0,1]=4 861 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [2,0,0,0,0,0|1,0,1]=4 862 B11R1.28 BrC\C=C\Cc1ccccc1 Amb25039914 [2,0,0,0,0,0|1,0,1]=4 863 B11R1.28 C/C=C/C=C/c1ccccc1 Amb17939507 [2,0,0,0,0,0|0,0,1]=3 864 B11R1.28 CCCC=Cc1cc[n]cc1 Amb24073920 [2,0,0,0,0,0|1,0,1]=4 865 B11R1.28 CCC\C=C/c1cccc[n]1 Amb24101905 [2,0,0,0,0,0|1,0,1]=4 866 B11R1.28 CCC\C=C\c1cc[n]cc1 Amb24103147 [2,0,0,0,0,0|1,0,1]=4 867 B11R1.28 CCC\C=C\c1cccc[n]1 Amb22170161 [2,0,0,0,0,0|1,0,1]=4 868 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [2,0,0,0,0,0|1,0,1]=4 869 B11R1.28 CCOCNc1ccccc1 Amb25856976 [2,0,0,0,0,0|1,0,1]=4 870 B11R1.28 CCOCSc1ccccc1 Amb24762591 [2,0,0,0,0,0|1,0,1]=4 871 B11R1.28 CCONCc1ccccc1 Amb25151184 [2,0,0,0,0,0|1,0,1]=4 872 B11R1.28 CCO\C=N\c1cccc[n]1 Amb24517123 [2,0,0,0,0,0|2,0,0]=4 873 B11R1.28 CCO\N=C\c1c[n]ccc1 Amb22169409 [2,0,0,0,0,0|2,0,0]=4 874 B11R1.28 CCO\N=C\c1ccccc1 Amb25712631 [2,0,0,0,0,0|1,0,0]=3 875 B11R1.28 CC\C=C/Cc1cc[n]cc1 Amb24103208 [2,0,0,0,0,0|1,0,1]=4 876 B11R1.28 CC\N=C\Nc1ccccc1 Amb24384245 [2,0,0,0,0,0|2,0,0]=4 877 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [2,0,0,0,0,0|1,0,1]=4 878 B11R1.28 COC\C=C\c1cccc[n]1 Amb24101883 [2,0,0,0,0,0|1,0,1]=4 879 B11R1.28 CO\C=C/Oc1ccccc1 Amb24069136 [2,0,0,0,0,0|1,0,0]=3 880 B11R1.28 CO\C=C\Oc1ccccc1 Amb24069134 [2,0,0,0,0,0|1,0,0]=3 881 B11R1.28 C\C=C\C=C\c1cccc[n]1 Amb24101888 [2,0,0,0,0,0|1,0,1]=4 882 B11R1.28 C\C=C\C=Cc1cccc[n]1 Amb25681413 [2,0,0,0,0,0|1,0,1]=4 883 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [2,0,0,0,0,0|1,0,1]=4 884 B11R1.28 ClCO\N=C\c1ccccc1 Amb25838175 [2,0,0,0,0,0|2,0,0]=4 885 B11R1.28 ClC\C=C\Cc1ccccc1 Amb24462747 [2,0,0,0,0,0|1,0,1]=4 886 B11R1.28 ClC\C=C\Oc1ccccc1 Amb24548862 [2,0,0,0,0,0|2,0,0]=4 887 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [2,0,0,0,0,0|1,0,1]=4 888 B11R1.28 NC\C=C\Cc1ccccc1 Amb24351087 [2,0,0,0,0,0|1,0,1]=4 889 B11R1.28 NOC\C=C\c1ccccc1 Amb18124997 [2,0,0,0,0,0|1,0,1]=4 890 B11R1.28 N\C=C\C=Cc1ccccc1 Amb24628941 [2,0,0,0,0,0|1,0,1]=4 891 B11R1.28 OCC=C=Cc1ccccc1 Amb24398063 [2,0,0,0,0,0|1,0,1]=4 892 B11R1.28 OCC\C=C\c1ccccc1 Amb24756581 [2,0,0,0,0,0|1,0,1]=4 893 B11R1.28 OC\C=C\Cc1ccccc1 Amb25074433 [2,0,0,0,0,0|1,0,1]=4 894 B11R1.28 OC\C=C\Nc1ccccc1 Amb25228349 [2,0,0,0,0,0|2,0,0]=4 895 B11R1.28 OC\C=C\Oc1ccccc1 Amb25283274 [2,0,0,0,0,0|2,0,0]=4 896 B11R1.28 O\N=C\C=C/c1ccccc1 Amb24668019 [2,0,0,0,0,0|2,0,0]=4 897 B11R1.28 SCC\C=C\c1ccccc1 Amb24390438 [2,0,0,0,0,0|1,0,1]=4 898 B11R1.91 CC(=C)\C=C\c1ccc[n]c1 Amb24085618 [2,0,0,0,0,0|2,0,0]=4 899 B11R1.91 CC(=C)\C=C\c1ccccc1 Amb22546632 [2,0,0,0,0,0|1,0,0]=3 900 B11R1.91 CC(=O)C=Cc1ccc[nH+]c1 Amb24099599 [2,0,0,0,0,0|1,0,0]=3 901 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [2,0,0,0,0,0|1,0,1]=4 902 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [2,0,0,0,0,0|1,0,1]=4 903 B11R1.91 CC(=O)NOc1ccccc1 Amb24104585 [2,0,0,0,0,0|2,0,0]=4 904 B11R1.91 CC(=O)SSc1ccccc1 Amb24370825 [2,0,0,0,0,0|2,0,0]=4 905 B11R1.91 CC(=O)\C=C/c1cccc[n]1 Amb24532942 [2,0,0,0,0,0|1,0,0]=3 906 B11R1.91 CC(=O)\C=C/c1ccccc1 Amb24380759 [2,0,0,0,0,0|0,0,0]=2 907 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [2,0,0,0,0,0|0,0,0]=2 908 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [2,0,0,0,0,0|1,0,0]=3 909 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb17477757 [2,0,0,0,0,0|1,0,0]=3 910 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb17477756 [2,0,0,0,0,0|1,0,0]=3 911 B11R1.91 CC(=O)\C=N\c1ccccc1 Amb25230668 [2,0,0,0,0,0|1,0,0]=3 912 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [2,0,0,0,0,0|2,0,0]=4 913 B11R1.91 CC(C)=CNc1ccccc1 Amb24715634 [2,0,0,0,0,0|2,0,0]=4 914 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [2,0,0,0,0,0|1,0,1]=4 915 B11R1.91 CC(N)C=Cc1ccccc1 Amb23536549 [2,0,0,0,0,0|1,0,1]=4 916 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [2,0,0,0,0,0|1,0,1]=4 917 B11R1.91 CC(N)\C=C\c1ccccc1 Amb21961471 [2,0,0,0,0,0|1,0,1]=4 918 B11R1.91 CC(\C=C\c1ccccc1)O Amb17593695 [2,0,0,0,0,0|0,0,2]=4 919 B11R1.91 CN(C)\C=C\c1ccccc1 Amb25056753 [2,0,0,0,0,0|2,0,0]=4 920 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb24359903 [2,0,0,0,0,0|1,0,1]=4 921 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb25809484 [2,0,0,0,0,0|1,0,1]=4 922 B11R1.91 C\C(\N)=C\Oc1ccccc1 Amb24674154 [2,0,0,0,0,0|2,0,0]=4 923 B11R1.91 NC(=N)C=Cc1ccccc1 Amb22464717 [2,0,0,0,0,0|2,0,0]=4 924 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22755484 [2,0,0,0,0,0|2,0,0]=4 925 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22756994 [2,0,0,0,0,0|2,0,0]=4 926 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [2,0,0,0,0,0|2,0,0]=4 927 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [2,0,0,0,0,0|1,1,0]=4 928 B11R1.91 OB(O)\C=C/c1ccccc1 Amb24117859 [2,0,0,0,0,0|1,0,1]=4 929 B11R1.91 OB(\C=C\c1ccccc1)O Amb2447227 [2,0,0,0,0,0|1,0,1]=4 930 B11R1.91 OC(=O)C=Cc1c[n]cc[n]1 Amb24082749 [2,0,0,0,0,0|2,0,0]=4 931 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [2,0,0,0,0,0|0,0,2]=4 932 B11R1.91 OC(=O)COc1ccccc1 Amb1213413 [2,0,0,0,0,0|1,0,1]=4 933 B11R1.91 OC(=O)COc1ccccc1 Amb22274444 [2,0,0,0,0,0|1,0,1]=4 934 B11R1.91 OC(=O)CPc1ccccc1 Amb24487808 [2,0,0,0,0,0|1,0,1]=4 935 B11R1.91 OC(=O)CSc1ccccc1 Amb1038999 [2,0,0,0,0,0|1,0,1]=4 936 B11R1.91 OC(=O)NCc1ccccc1 Amb10603977 [2,0,0,0,0,0|1,0,1]=4 937 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [2,0,0,0,0,0|0,0,2]=4 938 B11R1.91 OC(=O)\C=C/c1[n]ccc[n]1 Amb25830337 [2,0,0,0,0,0|2,0,0]=4 939 B11R1.91 OC(=O)\C=C/c1cc[n]cc1 Amb20622011 [2,0,0,0,0,0|1,0,0]=3 940 B11R1.91 OC(=O)\C=C/c1ccc[n]c1 Amb25378742 [2,0,0,0,0,0|1,0,0]=3 941 B11R1.91 OC(=O)\C=C/c1ccccn1 Amb10071558 [2,0,0,0,0,0|1,0,0]=3 942 B11R1.91 OC(=O)\C=C\N1CC=CC=C1 Amb22015329 [2,0,0,0,0,0|1,0,1]=4 943 B11R1.91 OC(=O)\C=C\c1cc[n][n]c1 Amb18125071 [2,0,0,0,0,0|2,0,0]=4 944 B11R1.91 OC(=O)\C=C\c1cc[n]c[n]1 Amb25337419 [2,0,0,0,0,0|2,0,0]=4 945 B11R1.91 OC(=O)\C=C\c1ccc[n][n]1 Amb18125070 [2,0,0,0,0,0|2,0,0]=4 946 B11R1.91 OC(=O)\C=C\c1ccccc1 Amb22366387 [2,0,0,0,0,0|0,0,0]=2 947 B11R1.91 OC(=O)\C=C\c1ccncc1 Amb1107607 [2,0,0,0,0,0|1,0,0]=3 948 B11R1.91 OC(=O)\C=C\c1cnccn1 Amb10609139 [2,0,0,0,0,0|2,0,0]=4 949 B11R1.91 OC(=O)\C=C\c1ncccn1 Amb17593721 [2,0,0,0,0,0|2,0,0]=4 950 B11R1.91 OC(=O)\C=N/c1cc[n]cc1 Amb24068310 [2,0,0,0,0,0|2,0,0]=4 951 B11R1.91 OC(=O)\C=N\c1ccccc1 Amb25243930 [2,0,0,0,0,0|1,0,0]=3 952 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [2,0,0,0,0,0|0,0,2]=4 953 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb1814995 [2,0,0,0,0,0|0,0,1]=3 954 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb22360910 [2,0,0,0,0,0|0,0,1]=3 955 B13R1.9 CO\N=C\C=Cc1ccc(F)cc1 Amb24672303 [1,1,0,0,0,0|2,0,0]=4 956 B13R1.9 OC\C=C\C=Cc1ccc(F)cc1 Amb24588413 [1,1,0,0,0,0|2,0,0]=4 957 B13R1.24 C([2H])(c1ccccc1)\C=C\OCC Amb10568510 [1,1,0,0,0,0|0,0,1]=3 958 B13R1.24 CC#C\C=C\C(=O)c1ccccc1 Amb24553543 [1,1,0,0,0,0|1,0,1]=4 959 B13R1.24 CCC\C=N\C(=O)c1ccccc1 Amb24072851 [1,1,0,0,0,0|2,0,0]=4 960 B13R1.24 CCN=C=CC(=O)c1ccccc1 Amb25334925 [1,1,0,0,0,0|1,0,1]=4 961 B13R1.24 CCOCNC(=O)c1ccccc1 Amb24072678 [1,1,0,0,0,0|1,0,1]=4 962 B13R1.24 C\C=C\C=CC(=O)c1ccccc1 Amb24646500 [1,1,0,0,0,0|1,0,1]=4 963 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [1,1,0,0,0,0|0,0,1]=3 964 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [1,1,0,0,0,0|1,0,1]=4 965 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [1,1,0,0,0,0|1,0,1]=4 966 B13R1.28 NCCNC\C=C\c1ccccc1 Amb23595759 [1,1,0,0,0,0|1,0,1]=4 967 B13R1.28 OCCC#C\C=C\c1ccccc1 Amb25180160 [1,1,0,0,0,0|1,0,1]=4 968 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [1,1,0,0,0,0|1,0,1]=4 969 B13R1.44 CC(\C=N\OC)=Cc1ccccc1 Amb24335529 [1,1,0,0,0,0|2,0,0]=4 970 B13R1.44 CCONC(=N)Nc1ccccc1 Amb25804276 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.44 CCONC(=S)Nc1ccccc1 Amb25733078 [1,1,0,0,0,0|2,0,0]=4 972 B13R1.44 CN\N=C\C(Br)=Cc1ccccc1 Amb24372510 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.44 CN\N=C\C(Cl)=Cc1ccccc1 Amb24408151 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.44 CO\N=C\C(Br)=Cc1ccccc1 Amb24529797 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.44 CO\N=C\C(Cl)=Cc1ccccc1 Amb24748007 [1,1,0,0,0,0|2,0,0]=4 976 B13R1.44 C\C(=C\c1ccccc1)\C=CCO Amb25381456 [1,1,0,0,0,0|2,0,0]=4 977 B13R1.337 CC(=O)C=CC=Cc1ccccc1 Amb24066241 [1,1,0,0,0,0|1,0,1]=4 978 B13R1.337 CC(=O)\C=C/C=C/c1ccccc1 Amb25318843 [1,1,0,0,0,0|1,0,1]=4 979 B13R1.337 CC(=O)\C=C\C=C/c1ccccc1 Amb24645444 [1,1,0,0,0,0|1,0,1]=4 980 B13R1.337 CC(Br)\C=C\C=Cc1ccccc1 Amb25691316 [1,1,0,0,0,0|1,0,0]=3 981 B13R1.337 CC(C)NC\C=C\c1ccccc1 Amb19890403 [1,1,0,0,0,0|1,0,1]=4 982 B13R1.337 CC(N)\C=C\C=Cc1ccccc1 Amb24745333 [1,1,0,0,0,0|1,0,0]=3 983 B13R1.337 CC(NC\C=C\c1ccccc1)C Amb2118507 [1,1,0,0,0,0|1,0,1]=4 984 B13R1.337 CC(O)CC=C=Cc1ccccc1 Amb25369409 [1,1,0,0,0,0|1,0,1]=4 985 B13R1.337 CC(O)\C=C\C=Cc1ccccc1 Amb25078216 [1,1,0,0,0,0|1,0,0]=3 986 B13R1.337 CN(C)\N=C\C=Cc1ccccc1 Amb24335040 [1,1,0,0,0,0|2,0,0]=4 987 B13R1.337 C[C@H](O)\C=C\C=Cc1ccccc1 Amb25346411 [1,1,0,0,0,0|1,0,0]=3 988 B13R1.555 CCO\N=C\Nc1ccccc1Cl Amb25351762 [1,1,0,0,0,0|2,0,0]=4 989 B13R1.718 CC(CN)=C\C=C\c1ccccc1 Amb24710652 [1,1,0,0,0,0|2,0,0]=4 990 B13R1.718 CC(CO)=C\C=C\c1ccccc1 Amb24693372 [1,1,0,0,0,0|2,0,0]=4 991 B13R1.718 CCC(=O)C=C=Cc1ccccc1 Amb25713065 [1,1,0,0,0,0|1,0,1]=4 992 B13R1.718 CCC(=O)N\C=C\c1ccccc1 Amb10561812 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.718 C\C(\CCl)=C\C=Cc1ccccc1 Amb25806846 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.718 C\C(\CN)=C\C=Cc1ccccc1 Amb24520771 [1,1,0,0,0,0|2,0,0]=4 995 B13R1.11 CCC(=O)CC(c1ccccc1)C Amb17594493 [1,1,0,0,0,0|0,0,2]=4 996 B13R1.11 CCC(=O)NC(=N)c1ccccc1 Amb25855572 [1,1,0,0,0,0|1,0,0]=3 997 B13R1.11 CCC(=O)NN(c1ccccc1)C Amb1869422 [1,1,0,0,0,0|2,0,0]=4 998 B13R1.11 CCC(=O)N[C@@H](C)c1ccccc1 Amb23091317 [1,1,0,0,0,0|1,0,1]=4 999 B13R1.11 CCC(=O)OC(=O)c1ccccc1 Amb22500123 [1,1,0,0,0,0|1,0,0]=3 1000 B13R1.11 CCC(=S)NC(=O)c1ccccc1 Amb25034339 [1,1,0,0,0,0|1,1,0]=4 1001 B13R1.11 CCC(O)\C=C(\Cl)/c1ccccc1 Amb24475820 [1,1,0,0,0,0|0,0,2]=4 1002 B13R1.11 CNC(=O)CC(=O)c1ccccc1 Amb24361603 [1,1,0,0,0,0|1,0,1]=4 1003 B13R1.11 CNC(=O)CC(=S)c1ccccc1 Amb25125271 [1,1,0,0,0,0|1,0,1]=4 1004 B13R1.11 CNC(=O)NC(=N)c1ccccc1 Amb24441539 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.11 CNC(=S)\C=C(\O)/c1ccccc1 Amb25270687 [1,1,0,0,0,0|1,1,0]=4 1006 B13R1.11 COC(=N)CC(=O)c1ccccc1 Amb22433441 [1,1,0,0,0,0|1,0,1]=4 1007 B13R1.11 COC(=N)NC(=O)c1ccccc1 Amb25309498 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.11 COC(=O)CC(=O)c1cccc[n]1 Amb21857821 [1,1,0,0,0,0|1,0,1]=4 1009 B13R1.11 COC(=O)CC(=O)c1ccccc1 Amb10553935 [1,1,0,0,0,0|0,0,1]=3 1010 B13R1.11 COC(=O)CC(C)c1ccccc1 Amb17843427 [1,1,0,0,0,0|0,0,2]=4 1011 B13R1.11 COC(=O)CC(O)c1ccccc1 Amb22731500 [1,1,0,0,0,0|0,0,2]=4 1012 B13R1.11 COC(=O)CC(c1ccccc1)N Amb1221582 [1,1,0,0,0,0|0,0,2]=4 1013 B13R1.11 COC(=O)CC(c1ccccc1)N Amb2371447 [1,1,0,0,0,0|0,0,2]=4 1014 B13R1.11 COC(=O)C[C@@H](C)c1ccccc1 Amb22363030 [1,1,0,0,0,0|0,0,2]=4 1015 B13R1.11 COC(=O)C[C@@H](N)c1ccccc1 Amb18796125 [1,1,0,0,0,0|0,0,2]=4 1016 B13R1.11 COC(=O)C[C@@H](N)c1ccccc1 Amb19373681 [1,1,0,0,0,0|0,0,2]=4 1017 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N Amb17617178 [1,1,0,0,0,0|0,0,2]=4 1018 B13R1.11 COC(=O)C[C@H](N)c1ccccc1 Amb22268691 [1,1,0,0,0,0|0,0,2]=4 1019 B13R1.11 COC(=O)NC(=N)c1ccccc1 Amb25254191 [1,1,0,0,0,0|1,0,0]=3 1020 B13R1.11 COC(=O)NC(=O)c1ccccc1 Amb25190157 [1,1,0,0,0,0|1,0,0]=3 1021 B13R1.11 COC(=O)NC(=S)c1cccc[n]1 Amb24095858 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.11 COC(=O)NC(c1ccccc1)C Amb10568146 [1,1,0,0,0,0|1,0,1]=4 1023 B13R1.11 COC(=O)N[C@@H](C)c1ccccc1 Amb24611219 [1,1,0,0,0,0|1,0,1]=4 1024 B13R1.11 COC(=O)N[C@H](C)c1ccccc1 Amb24666677 [1,1,0,0,0,0|1,0,1]=4 1025 B13R1.11 COC(=O)\C=C(/N)\c1ccc[n]c1 Amb24622421 [1,1,0,0,0,0|1,0,0]=3 1026 B13R1.11 COC(=O)\C=C(\N)/c1ccccc1 Amb25258009 [1,1,0,0,0,0|0,0,0]=2 1027 B13R1.11 COC(=S)NC(=O)c1ccccc1 Amb10553666 [1,1,0,0,0,0|1,1,0]=4 1028 B13R1.11 CSC(=O)NC(=O)c1ccccc1 Amb25743426 [1,1,0,0,0,0|1,1,0]=4 1029 B13R1.11 C\C(=C/C(=O)C#N)\c1ccccc1 Amb25050242 [1,1,0,0,0,0|1,0,1]=4 1030 B13R1.11 C\C(=C/C(=O)OC)\c1cccc[n]1 Amb24555692 [1,1,0,0,0,0|1,0,0]=3 1031 B13R1.11 C\C(=C/C(=O)c1ccccc1)\NC Amb24494958 [1,1,0,0,0,0|2,0,0]=4 1032 B13R1.11 C\C(=C\C(=O)C#N)\c1ccccc1 Amb24584484 [1,1,0,0,0,0|1,0,1]=4 1033 B13R1.11 C\C(=C\C(=O)C=C)\c1ccccc1 Amb25377817 [1,1,0,0,0,0|0,0,2]=4 1034 B13R1.11 C\C(=C\C(=O)CC)\c1ccccc1 Amb24553546 [1,1,0,0,0,0|0,0,0]=2 1035 B13R1.11 C\C(=C\C(=O)NC)\c1ccccc1 Amb24369890 [1,1,0,0,0,0|1,0,0]=3 1036 B13R1.11 C\C(=C\C(=O)OC)\c1c[n]ccc1 Amb25191857 [1,1,0,0,0,0|1,0,0]=3 1037 B13R1.11 C\C(=C\C(=O)c1ccccc1)\NC Amb24418806 [1,1,0,0,0,0|2,0,0]=4 1038 B13R1.11 C\C(=C\C(=O)c1ccccc1)\OC Amb25034479 [1,1,0,0,0,0|1,0,0]=3 1039 B13R1.11 C\C(=C\C(O)CC)\c1ccccc1 Amb24719717 [1,1,0,0,0,0|0,0,2]=4 1040 B13R1.11 C\C(\CC)=C\C(=O)c1ccccc1 Amb24408334 [1,1,0,0,0,0|1,0,0]=3 1041 B13R1.11 C\C(\CO)=C/C(=O)c1ccccc1 Amb24495014 [1,1,0,0,0,0|2,0,0]=4 1042 B13R1.11 C\C(\CO)=C\C(=C)c1ccccc1 Amb24675292 [1,1,0,0,0,0|2,0,0]=4 1043 B13R1.11 C\C(\CO)=C\C(=O)c1ccccc1 Amb24706804 [1,1,0,0,0,0|2,0,0]=4 1044 B13R1.11 ClCC(=O)NC(=N)c1ccccc1 Amb10552973 [1,1,0,0,0,0|2,0,0]=4 1045 B13R1.11 NCC(=O)NC(=O)c1ccccc1 Amb25782184 [1,1,0,0,0,0|2,0,0]=4 1046 B13R1.11 N\C(=C\C(=S)CN)\c1ccccc1 Amb24664310 [1,1,0,0,0,0|1,1,0]=4 1047 B13R1.11 N\C(=N\C(=O)CN)\c1ccccc1 Amb25200216 [1,1,0,0,0,0|2,0,0]=4 1048 B13R1.11 O=C(CCl)NC(=S)c1ccccc1 Amb22285382 [1,1,0,0,0,0|2,0,0]=4 1049 B13R1.11 O=C(NC(=O)CF)c1ccccc1 Amb24743332 [1,1,0,0,0,0|2,0,0]=4 1050 B13R1.11 O=C(\C=C(/Cl)\CCl)c1ccccc1 Amb25780102 [1,1,0,0,0,0|2,0,0]=4 1051 B13R1.11 OCC(=O)NC(=O)c1ccccc1 Amb1109639 [1,1,0,0,0,0|2,0,0]=4 1052 B13R1.14 C=CC(=O)\C=C\c1ccc(Cl)cc1 Amb20248598 [1,1,0,0,0,0|0,0,2]=4 1053 B13R1.14 C=CC(=O)\C=C\c1ccc(N)cc1 Amb25080417 [1,1,0,0,0,0|0,0,2]=4 1054 B13R1.14 CCC(=O)CCc1ccc(O)cc1 Amb22547635 [1,1,0,0,0,0|0,0,2]=4 1055 B13R1.14 CCC(=O)COc1ccc(N)cc1 Amb22010451 [1,1,0,0,0,0|1,0,1]=4 1056 B13R1.14 CCC(=O)CSc1ccc(Cl)cc1 Amb19415865 [1,1,0,0,0,0|1,0,1]=4 1057 B13R1.14 CCC(=O)NCc1ccc(F)cc1 Amb17790296 [1,1,0,0,0,0|1,0,1]=4 1058 B13R1.14 CCC(=O)NCc1ccc(O)cc1 Amb18648248 [1,1,0,0,0,0|1,0,1]=4 1059 B13R1.14 CCC(=O)NCc1ccc(cc1)N Amb17138876 [1,1,0,0,0,0|1,0,1]=4 1060 B13R1.14 CCC(=O)NNc1ccc(Cl)cc1 Amb25221246 [1,1,0,0,0,0|2,0,0]=4 1061 B13R1.14 CCC(=O)\C=C\c1ccc(F)cc1 Amb24676917 [1,1,0,0,0,0|0,0,0]=2 1062 B13R1.14 CCC(=O)\C=C\c1ccc(N)cc1 Amb25809374 [1,1,0,0,0,0|0,0,0]=2 1063 B13R1.14 CCC(=O)\C=C\c1ccc(O)cc1 Amb24375201 [1,1,0,0,0,0|0,0,0]=2 1064 B13R1.14 CCC(=O)\N=C\c1ccc(O)cc1 Amb24072991 [1,1,0,0,0,0|1,0,0]=3 1065 B13R1.14 CCC(O)\C=C\c1ccc(Cl)cc1 Amb24412133 [1,1,0,0,0,0|0,0,2]=4 1066 B13R1.14 CC[C@@H](O)\C=C\c1ccc(Cl)cc1 Amb25831968 [1,1,0,0,0,0|0,0,2]=4 1067 B13R1.14 CC[C@H](O)\C=C\c1ccc(Cl)cc1 Amb24495774 [1,1,0,0,0,0|0,0,2]=4 1068 B13R1.14 CNC(=O)\C=C\c1ccc(Cl)[n]c1 Amb24676415 [1,1,0,0,0,0|2,0,0]=4 1069 B13R1.14 CNC(=O)\C=C\c1ccc(N)cc1 Amb19844255 [1,1,0,0,0,0|1,0,0]=3 1070 B13R1.14 CNC(=O)\C=C\c1ccc(cc1)Br Amb11217636 [1,1,0,0,0,0|1,0,0]=3 1071 B13R1.14 COC(=O)/C=C/c1ccc(C)cc1 Amb17844465 [1,1,0,0,0,0|0,0,0]=2 1072 B13R1.14 COC(=O)C#Cc1ccc(F)cc1 Amb25726510 [1,1,0,0,0,0|0,0,2]=4 1073 B13R1.14 COC(=O)C#Cc1ccc(N)cc1 Amb25257395 [1,1,0,0,0,0|0,0,2]=4 1074 B13R1.14 COC(=O)C#Cc1ccc(O)cc1 Amb25262685 [1,1,0,0,0,0|0,0,2]=4 1075 B13R1.14 COC(=O)C=Cc1ccc(N)cc1 Amb24079687 [1,1,0,0,0,0|0,0,0]=2 1076 B13R1.14 COC(=O)C=Cc1ccc(cc1)Br Amb13883656 [1,1,0,0,0,0|0,0,0]=2 1077 B13R1.14 COC(=O)CCc1ccc(cc1)Br Amb15692693 [1,1,0,0,0,0|0,0,2]=4 1078 B13R1.14 COC(=O)CCc1ccc(cc1)C Amb17400662 [1,1,0,0,0,0|0,0,2]=4 1079 B13R1.14 COC(=O)CCc1ccc(cc1)Cl Amb1093990 [1,1,0,0,0,0|0,0,2]=4 1080 B13R1.14 COC(=O)CCc1ccc(cc1)F Amb17400909 [1,1,0,0,0,0|0,0,2]=4 1081 B13R1.14 COC(=O)CNc1ccc(cc1)Br Amb1921801 [1,1,0,0,0,0|1,0,1]=4 1082 B13R1.14 COC(=O)CNc1ccc(cc1)O Amb10604010 [1,1,0,0,0,0|1,0,1]=4 1083 B13R1.14 COC(=O)CNc1ccc(cc1)O Amb10604138 [1,1,0,0,0,0|1,0,1]=4 1084 B13R1.14 COC(=O)COc1ccc(N)cc1 Amb23385314 [1,1,0,0,0,0|1,0,1]=4 1085 B13R1.14 COC(=O)COc1ccc(cc1)I Amb1929651 [1,1,0,0,0,0|1,0,1]=4 1086 B13R1.14 COC(=O)COc1ccc(cc1)O Amb10975204 [1,1,0,0,0,0|1,0,1]=4 1087 B13R1.14 COC(=O)CSc1ccc(N)cc1 Amb24066581 [1,1,0,0,0,0|1,0,1]=4 1088 B13R1.14 COC(=O)CSc1ccc(O)cc1 Amb18321905 [1,1,0,0,0,0|1,0,1]=4 1089 B13R1.14 COC(=O)NCc1ccc(Br)cc1 Amb25101223 [1,1,0,0,0,0|1,0,1]=4 1090 B13R1.14 COC(=O)NCc1ccc(C)cc1 Amb17869525 [1,1,0,0,0,0|1,0,1]=4 1091 B13R1.14 COC(=O)NCc1ccc(F)cc1 Amb17860018 [1,1,0,0,0,0|1,0,1]=4 1092 B13R1.14 COC(=O)NCc1ccc(O)cc1 Amb24423720 [1,1,0,0,0,0|1,0,1]=4 1093 B13R1.14 COC(=O)NN=C1C=CC(=O)C=C1 Amb24594193 [1,1,0,0,0,0|2,0,0]=4 1094 B13R1.14 COC(=O)NNc1ccc(F)cc1 Amb24370510 [1,1,0,0,0,0|2,0,0]=4 1095 B13R1.14 COC(=O)\C=C/c1ccc(Br)cc1 Amb24668018 [1,1,0,0,0,0|0,0,0]=2 1096 B13R1.14 COC(=O)\C=C/c1ccc(O)cc1 Amb23469768 [1,1,0,0,0,0|0,0,0]=2 1097 B13R1.14 COC(=O)\C=C\N1C=CC(=O)C=C1 Amb25264824 [1,1,0,0,0,0|1,0,0]=3 1098 B13R1.14 COC(=O)\C=C\c1ccc(Br)c[n]1 Amb25368788 [1,1,0,0,0,0|1,0,0]=3 1099 B13R1.14 COC(=O)\C=C\c1ccc(Br)cc1 Amb19894690 [1,1,0,0,0,0|0,0,0]=2 1100 B13R1.14 COC(=O)\C=C\c1ccc(Cl)c[n]1 Amb25047046 [1,1,0,0,0,0|1,0,0]=3 1101 B13R1.14 COC(=O)\C=C\c1ccc(I)cc1 Amb25726381 [1,1,0,0,0,0|0,0,0]=2 1102 B13R1.14 COC(=O)\C=C\c1ccc(N)[n]c1 Amb24558350 [1,1,0,0,0,0|1,0,0]=3 1103 B13R1.14 COC(=O)\C=C\c1ccc(cc1)S Amb17616841 [1,1,0,0,0,0|0,0,0]=2 1104 B13R1.14 COC(=O)\C=C\c1ccc(nc1)Cl Amb2196616 [1,1,0,0,0,0|1,0,0]=3 1105 B13R1.14 Cc1ccc(C=CC(=O)CC)cc1 Amb21618917 [1,1,0,0,0,0|0,0,0]=2 1106 B13R1.14 Cc1ccc(\C=C\C(=O)C=C)cc1 Amb24736238 [1,1,0,0,0,0|0,0,2]=4 1107 B13R1.14 Cc1ccc(\C=C\C(=O)NC)[n]c1 Amb25318380 [1,1,0,0,0,0|2,0,0]=4 1108 B13R1.14 Cc1ccc(\C=C\C(=O)NO)cc1 Amb25788863 [1,1,0,0,0,0|2,0,0]=4 1109 B13R1.14 Cc1ccc(\C=C\C(=O)OC)[n]c1 Amb25079372 [1,1,0,0,0,0|1,0,0]=3 1110 B13R1.14 Cc1ccc(\C=C\C(=O)OC)c[n]1 Amb25135039 [1,1,0,0,0,0|1,0,0]=3 1111 B13R1.14 Cc1ccc(\C=C\C(O)CC)cc1 Amb24353042 [1,1,0,0,0,0|0,0,2]=4 1112 B13R1.14 Cc1ccc(\C=N\C(=O)OC)cc1 Amb24095905 [1,1,0,0,0,0|1,0,0]=3 1113 B13R1.14 Cc1ccc(cc1)C#CC(=O)CC Amb24492357 [1,1,0,0,0,0|0,0,2]=4 1114 B13R1.14 N#CC(=O)\C=C\c1ccc(F)cc1 Amb24512686 [1,1,0,0,0,0|1,0,1]=4 1115 B13R1.14 NNC(=O)\C=C\c1ccc(cc1)Cl Amb10571399 [1,1,0,0,0,0|2,0,0]=4 1116 B13R1.14 NNC(=O)\C=C\c1ccc(cc1)F Amb16207876 [1,1,0,0,0,0|2,0,0]=4 1117 B13R1.14 Nc1ccc(\C=C\C(=O)NN)cc1 Amb24346985 [1,1,0,0,0,0|2,0,0]=4 1118 B13R1.14 Nc1ccc(\C=C\C(=O)NO)cc1 Amb24452633 [1,1,0,0,0,0|2,0,0]=4 1119 B13R1.14 O=C(CCl)\C=C\c1ccc(Cl)cc1 Amb25339267 [1,1,0,0,0,0|1,0,0]=3 1120 B13R1.14 O=C(CCl)\C=C\c1ccc(I)cc1 Amb24725940 [1,1,0,0,0,0|1,0,0]=3 1121 B13R1.14 O=C(\C=C\c1ccc(Cl)cc1)C=O Amb25212273 [1,1,0,0,0,0|1,0,1]=4 1122 B13R1.14 O=C(\C=C\c1ccc(F)cc1)C=O Amb25322759 [1,1,0,0,0,0|1,0,1]=4 1123 B13R1.14 Oc1ccc(\C=C\C(=O)NO)cc1 Amb24722969 [1,1,0,0,0,0|2,0,0]=4 1124 B13R1.15 CCC(=O)COc1cc(N)ccc1 Amb22010109 [1,1,0,0,0,0|1,0,1]=4 1125 B13R1.15 CCC(=O)NCc1cc(N)ccc1 Amb18992892 [1,1,0,0,0,0|1,0,1]=4 1126 B13R1.15 CCC(=O)NCc1cc(O)ccc1 Amb18180918 [1,1,0,0,0,0|1,0,1]=4 1127 B13R1.15 CCC(=O)NCc1cccc(c1)Br Amb2085744 [1,1,0,0,0,0|1,0,1]=4 1128 B13R1.15 CCC(=O)NCc1cccc(c1)Cl Amb2023613 [1,1,0,0,0,0|1,0,1]=4 1129 B13R1.15 CCC(=O)NNc1cc(Cl)ccc1 Amb25357056 [1,1,0,0,0,0|2,0,0]=4 1130 B13R1.15 CCC(=O)NNc1cc(F)ccc1 Amb24706504 [1,1,0,0,0,0|2,0,0]=4 1131 B13R1.15 CCC(=O)\N=C\c1cccc(O)c1 Amb24072990 [1,1,0,0,0,0|1,0,0]=3 1132 B13R1.15 CNC(=O)C=Cc1cccc(F)c1 Amb20635247 [1,1,0,0,0,0|1,0,0]=3 1133 B13R1.15 CNC(=O)\C=C\c1c[n]cc(F)c1 Amb25307214 [1,1,0,0,0,0|2,0,0]=4 1134 B13R1.15 CNC(=O)\C=C\c1c[n]cc(O)c1 Amb25788852 [1,1,0,0,0,0|2,0,0]=4 1135 B13R1.15 CNC(=O)\C=C\c1cccc(Cl)c1 Amb24552298 [1,1,0,0,0,0|1,0,0]=3 1136 B13R1.15 CNC(=O)\C=C\c1cccc(F)c1 Amb25232444 [1,1,0,0,0,0|1,0,0]=3 1137 B13R1.15 CNC(=O)\C=C\c1cccc(c1)Br Amb11217744 [1,1,0,0,0,0|1,0,0]=3 1138 B13R1.15 CNC(=O)\C=C\c1cccc(c1)N Amb17138777 [1,1,0,0,0,0|1,0,0]=3 1139 B13R1.15 COC(=O)/C=C/c1cccc(Cl)c1 Amb17844464 [1,1,0,0,0,0|0,0,0]=2 1140 B13R1.15 COC(=O)C#Cc1cc(F)ccc1 Amb25726243 [1,1,0,0,0,0|0,0,2]=4 1141 B13R1.15 COC(=O)C=Cc1cccc(O)c1 Amb24098382 [1,1,0,0,0,0|0,0,0]=2 1142 B13R1.15 COC(=O)CCc1cccc(N)c1 Amb18648245 [1,1,0,0,0,0|0,0,2]=4 1143 B13R1.15 COC(=O)CCc1cccc(c1)Br Amb17410710 [1,1,0,0,0,0|0,0,2]=4 1144 B13R1.15 COC(=O)CCc1cccc(c1)C Amb17400661 [1,1,0,0,0,0|0,0,2]=4 1145 B13R1.15 COC(=O)CCc1cccc(c1)Cl Amb17402276 [1,1,0,0,0,0|0,0,2]=4 1146 B13R1.15 COC(=O)COc1cccc(c1)N Amb1117898 [1,1,0,0,0,0|1,0,1]=4 1147 B13R1.15 COC(=O)CSc1cccc(N)c1 Amb19005104 [1,1,0,0,0,0|1,0,1]=4 1148 B13R1.15 COC(=O)NCc1cccc(F)c1 Amb24095872 [1,1,0,0,0,0|1,0,1]=4 1149 B13R1.15 COC(=O)NCc1cccc(N)c1 Amb18992199 [1,1,0,0,0,0|1,0,1]=4 1150 B13R1.15 COC(=O)NCc1cccc(O)c1 Amb18181287 [1,1,0,0,0,0|1,0,1]=4 1151 B13R1.15 COC(=O)NCc1cccc(c1)Br Amb2135033 [1,1,0,0,0,0|1,0,1]=4 1152 B13R1.15 COC(=O)NCc1cccc(c1)Cl Amb2023614 [1,1,0,0,0,0|1,0,1]=4 1153 B13R1.15 COC(=O)NNc1cc(Br)ccc1 Amb24369850 [1,1,0,0,0,0|2,0,0]=4 1154 B13R1.15 COC(=O)NNc1cc(Cl)ccc1 Amb24529772 [1,1,0,0,0,0|2,0,0]=4 1155 B13R1.15 COC(=O)\C=C\c1cccc(Br)[n]1 Amb20248559 [1,1,0,0,0,0|1,0,0]=3 1156 B13R1.15 COC(=O)\C=C\c1cccc(Cl)[n]1 Amb24394433 [1,1,0,0,0,0|1,0,0]=3 1157 B13R1.15 COC(=O)\C=C\c1cccc(N)c1 Amb18127872 [1,1,0,0,0,0|0,0,0]=2 1158 B13R1.15 COC(=O)\C=C\c1cccc(O)c1 Amb18128083 [1,1,0,0,0,0|0,0,0]=2 1159 B13R1.15 COC(=O)\C=C\c1cccc(c1)Br Amb2407728 [1,1,0,0,0,0|0,0,0]=2 1160 B13R1.15 COC(=O)\C=C\c1cccc(c1)F Amb10839543 [1,1,0,0,0,0|0,0,0]=2 1161 B13R1.15 COC(=O)\N=C\c1cccc(F)c1 Amb24095903 [1,1,0,0,0,0|1,0,0]=3 1162 B13R1.15 Cc1cc(C=CC(=O)NC)ccc1 Amb19384438 [1,1,0,0,0,0|1,0,0]=3 1163 B13R1.15 Cc1cc(CNC(=O)CC)ccc1 Amb23088363 [1,1,0,0,0,0|1,0,1]=4 1164 B13R1.15 Cc1cc(CNC(=O)OC)ccc1 Amb25133958 [1,1,0,0,0,0|1,0,1]=4 1165 B13R1.15 Cc1cc(\C=C\C(=O)NC)ccc1 Amb25815418 [1,1,0,0,0,0|1,0,0]=3 1166 B13R1.15 Cc1cc(\C=C\C(=O)NO)ccc1 Amb24693629 [1,1,0,0,0,0|2,0,0]=4 1167 B13R1.15 Cc1cc(\C=C\C(=O)OC)c[n]c1 Amb24350037 [1,1,0,0,0,0|1,0,0]=3 1168 B13R1.15 Cc1cc(\C=N\C(=O)OC)ccc1 Amb24095904 [1,1,0,0,0,0|1,0,0]=3 1169 B13R1.15 Cc1cc(ccc1)NNC(=O)CC Amb24072221 [1,1,0,0,0,0|2,0,0]=4 1170 B13R1.15 Cc1cc(ccc1)SCC(=O)OC Amb18318073 [1,1,0,0,0,0|1,0,1]=4 1171 B13R1.15 ONC(=O)\C=C\c1cccc(Cl)c1 Amb24473428 [1,1,0,0,0,0|2,0,0]=4 1172 B13R1.135 CCC(=C)C(=O)Nc1ccccc1 Amb25207052 [1,1,0,0,0,0|2,0,0]=4 1173 B13R1.135 CCC(=C)C(=S)Nc1ccccc1 Amb25276320 [1,1,0,0,0,0|2,0,0]=4 1174 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 Amb25770102 [1,1,0,0,0,0|1,0,0]=3 1175 B13R1.135 CCC(=O)C(Cc1ccccc1)C Amb17233202 [1,1,0,0,0,0|0,0,2]=4 1176 B13R1.135 CCC(=O)\C(=C/c1ccccc1)\C Amb10565329 [1,1,0,0,0,0|0,0,0]=2 1177 B13R1.135 CCC(=O)\C(\F)=C\c1ccccc1 Amb25706957 [1,1,0,0,0,0|0,0,0]=2 1178 B13R1.135 CCC(O)\C(\Cl)=C\c1ccccc1 Amb25045703 [1,1,0,0,0,0|0,0,2]=4 1179 B13R1.135 CC[C@H](O)\C(\Cl)=C\c1ccccc1 Amb24533619 [1,1,0,0,0,0|0,0,2]=4 1180 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 Amb17400596 [1,1,0,0,0,0|1,0,1]=4 1181 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 Amb1798389 [1,1,0,0,0,0|2,0,0]=4 1182 B13R1.135 CNC(=O)\C(\S)=C/c1ccccc1 Amb24341194 [1,1,0,0,0,0|1,0,0]=3 1183 B13R1.135 COC(=C)C(=O)Nc1ccccc1 Amb25752695 [1,1,0,0,0,0|2,0,0]=4 1184 B13R1.135 COC(=O)C(=O)Cc1ccccc1 Amb17138843 [1,1,0,0,0,0|0,0,1]=3 1185 B13R1.135 COC(=O)C(=O)Cc1ccccn1 Amb17138896 [1,1,0,0,0,0|1,0,1]=4 1186 B13R1.135 COC(=O)C(=O)Cc1cccnc1 Amb17138897 [1,1,0,0,0,0|1,0,1]=4 1187 B13R1.135 COC(=O)C(=O)Cc1ccncc1 Amb17138898 [1,1,0,0,0,0|1,0,1]=4 1188 B13R1.135 COC(=O)C(=O)Nc1c[n]ccc1 Amb24427786 [1,1,0,0,0,0|2,0,0]=4 1189 B13R1.135 COC(=O)C(=O)Nc1ccccc1 Amb24529368 [1,1,0,0,0,0|1,0,0]=3 1190 B13R1.135 COC(=O)C(Cc1ccccc1)Cl Amb17204377 [1,1,0,0,0,0|0,0,2]=4 1191 B13R1.135 COC(=O)C(Cc1ccccc1)N Amb1779248 [1,1,0,0,0,0|0,0,2]=4 1192 B13R1.135 COC(=O)C(Cc1ccccc1)O Amb17138951 [1,1,0,0,0,0|0,0,2]=4 1193 B13R1.135 COC(=O)C(N)Cc1ccccc1 Amb22489492 [1,1,0,0,0,0|0,0,2]=4 1194 B13R1.135 COC(=O)[C@H](C)Nc1ccccc1 Amb25732039 [1,1,0,0,0,0|1,0,1]=4 1195 B13R1.135 COC(=O)\C(\Br)=C\c1ccccc1 Amb24331619 [1,1,0,0,0,0|0,0,0]=2 1196 B13R1.135 COC(=O)\C(\F)=C\c1ccccc1 Amb25706644 [1,1,0,0,0,0|0,0,0]=2 1197 B13R1.135 C\C(=C/c1cc[n]cc1)\C(=O)CC Amb25322907 [1,1,0,0,0,0|1,0,0]=3 1198 B13R1.135 C\C(=C/c1ccc[n]c1)\C(=O)CC Amb24633428 [1,1,0,0,0,0|1,0,0]=3 1199 B13R1.135 C\C(=C/c1ccccc1)\C(=O)C#C Amb25190525 [1,1,0,0,0,0|0,0,2]=4 1200 B13R1.135 C\C(=C/c1ccccc1)\C(=O)CF Amb25134087 [1,1,0,0,0,0|1,0,0]=3 1201 B13R1.135 C\C(=C/c1ccccc1)\C(=S)NC Amb25045335 [1,1,0,0,0,0|1,1,0]=4 1202 B13R1.135 C\C(=C/c1ccccc1)\C(O)CC Amb25687882 [1,1,0,0,0,0|0,0,2]=4 1203 B13R1.135 C\C(=C\c1ccccc1)\C(=O)CF Amb25179639 [1,1,0,0,0,0|1,0,0]=3 1204 B13R1.135 ClCC(=O)C(=O)Nc1ccccc1 Amb1039065 [1,1,0,0,0,0|2,0,0]=4 1205 B13R1.135 O=C(CCl)\C(\F)=C/c1ccccc1 Amb24677586 [1,1,0,0,0,0|1,0,0]=3 1206 B13R1.135 O=C(CCl)\C(\F)=C\c1ccccc1 Amb25697164 [1,1,0,0,0,0|1,0,0]=3 1207 B13R1.135 O=C(Nc1ccccc1)C(=O)CBr Amb25732064 [1,1,0,0,0,0|2,0,0]=4 1208 B13R1.254 O=S(=O)(\C=C\c1ccccc1)O[K] Amb20248385 [1,1,0,0,0,0|2,0,0]=4 1209 B13R1.351 C=C(F)C(=O)\C=C\c1ccccc1 Amb24577794 [1,1,0,0,0,0|0,0,2]=4 1210 B13R1.351 CC(=C)C(=O)\C=C\c1ccccc1 Amb24357139 [1,1,0,0,0,0|0,0,1]=3 1211 B13R1.351 CC(=O)C(=O)\C=C\c1ccccc1 Amb24697906 [1,1,0,0,0,0|0,0,1]=3 1212 B13R1.351 CC(Br)C(=O)OCc1ccccc1 Amb22054568 [1,1,0,0,0,0|1,0,1]=4 1213 B13R1.351 CC(C(=O)NCc1ccccc1)C Amb1806323 [1,1,0,0,0,0|1,0,1]=4 1214 B13R1.351 CC(C(=O)NCc1ccccc1)Cl Amb1208021 [1,1,0,0,0,0|1,0,1]=4 1215 B13R1.351 CC(C(=O)NCc1ccccc1)N Amb10610119 [1,1,0,0,0,0|1,0,1]=4 1216 B13R1.351 CC(C(=O)NCc1ccccc1)O Amb10766141 [1,1,0,0,0,0|1,0,1]=4 1217 B13R1.351 CC(C(=O)OCc1ccccc1)N Amb17335303 [1,1,0,0,0,0|1,0,1]=4 1218 B13R1.351 CC(C)C(=O)NOc1ccccc1 Amb24421311 [1,1,0,0,0,0|2,0,0]=4 1219 B13R1.351 CC(C)C(=O)\C=C/c1ccccc1 Amb24730292 [1,1,0,0,0,0|0,0,0]=2 1220 B13R1.351 CC(C)C(=O)\C=C\c1cc[n]cc1 Amb25294423 [1,1,0,0,0,0|1,0,0]=3 1221 B13R1.351 CC(C)C(=O)\C=C\c1ccccc1 Amb22343050 [1,1,0,0,0,0|0,0,0]=2 1222 B13R1.351 CC(C)C(N)C=Cc1ccccc1 Amb23536581 [1,1,0,0,0,0|1,0,1]=4 1223 B13R1.351 CC(C)[C@@H](O)\C=C\c1ccccc1 Amb25755349 [1,1,0,0,0,0|0,0,2]=4 1224 B13R1.351 CC(C)[C@H](O)\C=C\c1ccccc1 Amb25262853 [1,1,0,0,0,0|0,0,2]=4 1225 B13R1.351 CC(Cl)C(=O)C#Cc1ccccc1 Amb25227422 [1,1,0,0,0,0|0,0,2]=4 1226 B13R1.351 CC(N)C(=O)NNc1ccccc1 Amb24490065 [1,1,0,0,0,0|2,0,0]=4 1227 B13R1.351 CC(N)C(=O)OCc1ccccc1 Amb22233549 [1,1,0,0,0,0|1,0,1]=4 1228 B13R1.351 CC(N)C(=O)\C=C\c1ccccc1 Amb25122759 [1,1,0,0,0,0|0,0,0]=2 1229 B13R1.351 CC(N)C(O)\C=C\c1ccccc1 Amb18648065 [1,1,0,0,0,0|0,0,2]=4 1230 B13R1.351 CC(O)C(=O)O[Hg]c1ccccc1 Amb22345872 [1,1,0,0,0,0|2,0,0]=4 1231 B13R1.351 CC(O)C(=O)\C=C\c1ccccc1 Amb24534525 [1,1,0,0,0,0|0,0,0]=2 1232 B13R1.351 CC(S)C(=O)OCc1ccccc1 Amb25058345 [1,1,0,0,0,0|1,0,1]=4 1233 B13R1.351 CC(\C=C\c1ccccc1)C(C)O Amb25048581 [1,1,0,0,0,0|1,0,1]=4 1234 B13R1.351 CN(C)C(=O)\C=C\c1ccc[n]c1 Amb25731321 [1,1,0,0,0,0|2,0,0]=4 1235 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N Amb2404812 [1,1,0,0,0,0|1,0,1]=4 1236 B13R1.351 C[C@@H](Cl)C(=O)NCc1ccccc1 Amb25188021 [1,1,0,0,0,0|1,0,1]=4 1237 B13R1.351 C[C@@H](N)C(=O)NCc1ccccc1 Amb18014651 [1,1,0,0,0,0|1,0,1]=4 1238 B13R1.351 C[C@@H](N)C(=O)NNc1ccccc1 Amb25029960 [1,1,0,0,0,0|2,0,0]=4 1239 B13R1.351 C[C@@H](N)C(=O)\C=C\c1ccccc1 Amb24512077 [1,1,0,0,0,0|0,0,0]=2 1240 B13R1.351 C[C@@H](N)[C@@H](O)\C=C\c1ccccc1 Amb25843898 [1,1,0,0,0,0|0,0,2]=4 1241 B13R1.351 C[C@@H](O)C(=O)OCc1ccccc1 Amb22801052 [1,1,0,0,0,0|1,0,1]=4 1242 B13R1.351 C[C@@H](O)C(=O)\C=C\c1ccccc1 Amb25766283 [1,1,0,0,0,0|0,0,0]=2 1243 B13R1.351 C[C@@H](O)[C@@H](O)\C=C\c1ccccc1 Amb24344665 [1,1,0,0,0,0|0,0,2]=4 1244 B13R1.351 C[C@@H](\C=C\c1ccccc1)[C@@H](C)O Amb24495050 [1,1,0,0,0,0|1,0,1]=4 1245 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N Amb16183910 [1,1,0,0,0,0|1,0,1]=4 1246 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N Amb17607755 [1,1,0,0,0,0|1,0,1]=4 1247 B13R1.351 C[C@H](N)C(=O)NNc1ccccc1 Amb24710147 [1,1,0,0,0,0|2,0,0]=4 1248 B13R1.351 C[C@H](N)C(=O)\C=C\c1ccccc1 Amb25200964 [1,1,0,0,0,0|0,0,0]=2 1249 B13R1.351 C[C@H](N)[C@@H](O)\C=C\c1ccccc1 Amb24557840 [1,1,0,0,0,0|0,0,2]=4 1250 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 Amb24452587 [1,1,0,0,0,0|1,0,1]=4 1251 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 Amb24351965 [1,1,0,0,0,0|2,0,0]=4 1252 B13R1.351 C[C@H](O)C(O)\C=C\c1ccccc1 Amb24569962 [1,1,0,0,0,0|0,0,2]=4 1253 B13R1.351 C[C@H](O)[C@H](O)\C=C\c1ccccc1 Amb25755348 [1,1,0,0,0,0|0,0,2]=4 1254 B13R1.351 C\C(=C/Cc1ccccc1)\C(C)N Amb24381566 [1,1,0,0,0,0|1,0,1]=4 1255 B13R1.351 NC(=O)C(=O)\C=C\c1ccccc1 Amb25798864 [1,1,0,0,0,0|1,0,1]=4 1256 B13R1.351 O=C(C(=O)O)\C=C\c1ccccc1 Amb16192457 [1,1,0,0,0,0|1,0,1]=4 1257 B13R1.351 O=C([C@H]([NH3+])C)OCc1ccccc1 Amb10807781 [1,1,0,0,0,0|1,0,1]=4 1258 B13R1.351 [O-]C(=O)C(=O)C=Cc1ccccc1 Amb22484596 [1,1,0,0,0,0|1,0,1]=4 1259 B13R1.417 CCC(CO)=C=Cc1ccccc1 Amb24581777 [1,1,0,0,0,0|0,0,2]=4 1260 B13R1.417 CC\C(\C=O)=C/Nc1ccccc1 Amb18127492 [1,1,0,0,0,0|1,0,0]=3 1261 B13R1.417 CC\C(\C=O)=C\Nc1ccccc1 Amb24728250 [1,1,0,0,0,0|1,0,0]=3 1262 B13R1.417 CC\C(\C=O)=N\Nc1ccccc1 Amb25695960 [1,1,0,0,0,0|2,0,0]=4 1263 B13R1.417 COC(=CCc1ccccc1)OC Amb22546894 [1,1,0,0,0,0|0,0,2]=4 1264 B13R1.417 CO\C(\C=O)=C\Nc1ccccc1 Amb24564475 [1,1,0,0,0,0|1,0,0]=3 1265 B13R1.417 C\C=C(\C=O)/C=C/c1ccccc1 Amb18647674 [1,1,0,0,0,0|0,0,1]=3 1266 B13R1.417 O\N=C(/C=O)\C=C\c1ccccc1 Amb25678531 [1,1,0,0,0,0|2,0,0]=4 1267 B13R1.417 O\N=C(\C=O)/C=Cc1ccccc1 Amb24610088 [1,1,0,0,0,0|2,0,0]=4 1268 B13R1.528 CC(CC)\C=C\c1ccccc1O Amb24492567 [1,1,0,0,0,0|1,0,1]=4 1269 B13R1.528 CCC(=O)COc1ccccc1N Amb22010341 [1,1,0,0,0,0|1,0,1]=4 1270 B13R1.528 CCC(=O)NCc1ccccc1Br Amb2085745 [1,1,0,0,0,0|1,0,1]=4 1271 B13R1.528 CCC(=O)NCc1ccccc1C Amb10672025 [1,1,0,0,0,0|1,0,1]=4 1272 B13R1.528 CCC(=O)NCc1ccccc1F Amb2020111 [1,1,0,0,0,0|1,0,1]=4 1273 B13R1.528 CCC(=O)NCc1ccccc1N Amb18984726 [1,1,0,0,0,0|1,0,1]=4 1274 B13R1.528 CCC(=O)NNc1ccccc1Cl Amb24502719 [1,1,0,0,0,0|2,0,0]=4 1275 B13R1.528 CCC(=O)NNc1ccccc1F Amb24673307 [1,1,0,0,0,0|2,0,0]=4 1276 B13R1.528 CCC(=O)NNc1ccccc1N Amb18128462 [1,1,0,0,0,0|2,0,0]=4 1277 B13R1.528 CCC(=O)\C=C\c1ccccc1F Amb24534515 [1,1,0,0,0,0|0,0,0]=2 1278 B13R1.528 CCC(=O)\C=C\c1ccccc1O Amb16206172 [1,1,0,0,0,0|0,0,0]=2 1279 B13R1.528 CCC(=O)\N=C\c1ccccc1O Amb24072989 [1,1,0,0,0,0|1,0,0]=3 1280 B13R1.528 CNC(=O)C=Cc1ccccc1F Amb20635245 [1,1,0,0,0,0|1,0,0]=3 1281 B13R1.528 CNC(=O)\C=C\c1ccccc1Br Amb11217679 [1,1,0,0,0,0|1,0,0]=3 1282 B13R1.528 COC(=O)C=Cc1ccccc1O Amb10605440 [1,1,0,0,0,0|0,0,0]=2 1283 B13R1.528 COC(=O)CCc1ccccc1Br Amb10604254 [1,1,0,0,0,0|0,0,2]=4 1284 B13R1.528 COC(=O)CCc1ccccc1C Amb17400660 [1,1,0,0,0,0|0,0,2]=4 1285 B13R1.528 COC(=O)CCc1ccccc1Cl Amb17402275 [1,1,0,0,0,0|0,0,2]=4 1286 B13R1.528 COC(=O)CCc1ccccc1F Amb17400908 [1,1,0,0,0,0|0,0,2]=4 1287 B13R1.528 COC(=O)CNc1ccccc1Cl Amb24099081 [1,1,0,0,0,0|1,0,1]=4 1288 B13R1.528 COC(=O)CNc1ccccc1O Amb25360835 [1,1,0,0,0,0|1,0,1]=4 1289 B13R1.528 COC(=O)COc1ccccc1N Amb1119918 [1,1,0,0,0,0|1,0,1]=4 1290 B13R1.528 COC(=O)CSc1ccccc1O Amb19044958 [1,1,0,0,0,0|1,0,1]=4 1291 B13R1.528 COC(=O)NCc1ccccc1Br Amb24643282 [1,1,0,0,0,0|1,0,1]=4 1292 B13R1.528 COC(=O)NCc1ccccc1Cl Amb22469956 [1,1,0,0,0,0|1,0,1]=4 1293 B13R1.528 COC(=O)NCc1ccccc1F Amb2020112 [1,1,0,0,0,0|1,0,1]=4 1294 B13R1.528 COC(=O)NNc1ccccc1Cl Amb24510177 [1,1,0,0,0,0|2,0,0]=4 1295 B13R1.528 COC(=O)NNc1ccccc1F Amb24612816 [1,1,0,0,0,0|2,0,0]=4 1296 B13R1.528 COC(=O)\C=C\c1[n]cccc1N Amb24740155 [1,1,0,0,0,0|1,0,0]=3 1297 B13R1.528 COC(=O)\C=C\c1cc[n]cc1F Amb24623916 [1,1,0,0,0,0|1,0,0]=3 1298 B13R1.528 COC(=O)\C=C\c1ccc[n]c1Br Amb22584147 [1,1,0,0,0,0|1,0,0]=3 1299 B13R1.528 COC(=O)\C=C\c1ccccc1Br Amb22491743 [1,1,0,0,0,0|0,0,0]=2 1300 B13R1.528 COC(=O)\C=C\c1ccccc1Cl Amb10808396 [1,1,0,0,0,0|0,0,0]=2 1301 B13R1.528 COC(=O)\C=C\c1ccccc1F Amb2432760 [1,1,0,0,0,0|0,0,0]=2 1302 B13R1.528 COC(=O)\C=C\c1ccccc1I Amb25275412 [1,1,0,0,0,0|0,0,0]=2 1303 B13R1.528 COC(=O)\C=C\c1ccccc1N Amb18127873 [1,1,0,0,0,0|0,0,0]=2 1304 B13R1.528 COC(=O)\C=C\c1cnccc1Cl Amb13890041 [1,1,0,0,0,0|1,0,0]=3 1305 B13R1.528 C\C(\C=C/c1ccccc1N)=C\C Amb18127104 [1,1,0,0,0,0|1,0,1]=4 1306 B13R1.528 C\C(\C=Cc1ccccc1N)=C\C Amb25179204 [1,1,0,0,0,0|1,0,1]=4 1307 B13R1.528 C\C(\CC)=C/Cc1ccccc1N Amb24756421 [1,1,0,0,0,0|1,0,1]=4 1308 B13R1.528 Cc1[n]cccc1\C=C\C(=O)OC Amb23586024 [1,1,0,0,0,0|1,0,0]=3 1309 B13R1.528 Cc1cc[n]cc1\C=C\C(=O)OC Amb24726967 [1,1,0,0,0,0|1,0,0]=3 1310 B13R1.528 Cc1ccc[n]c1\C=C\C(=O)NC Amb24388188 [1,1,0,0,0,0|2,0,0]=4 1311 B13R1.528 Cc1ccccc1\C=C/C(=O)CC Amb25318845 [1,1,0,0,0,0|0,0,0]=2 1312 B13R1.528 Cc1ccccc1\C=C\C(=O)C=O Amb24357178 [1,1,0,0,0,0|1,0,1]=4 1313 B13R1.528 Cc1ccccc1\C=C\C(=O)NC Amb25821660 [1,1,0,0,0,0|1,0,0]=3 1314 B13R1.528 Cc1ccccc1\C=C\C(=O)NO Amb24369758 [1,1,0,0,0,0|2,0,0]=4 1315 B13R1.528 Nc1ccccc1\C=C\C(=O)NN Amb25180134 [1,1,0,0,0,0|2,0,0]=4 1316 B13R1.528 ONC(=O)\C=C\c1ccccc1Br Amb25295597 [1,1,0,0,0,0|2,0,0]=4 1317 B13R1.528 ONC(=O)\C=C\c1ccccc1F Amb24645076 [1,1,0,0,0,0|2,0,0]=4 1318 B13R1.528 Oc1ccccc1\C=C\C(=O)NO Amb24512527 [1,1,0,0,0,0|2,0,0]=4 1319 B13R1.19 CCCC(=O)Cc1ccc(cc1)C Amb17138797 [0,1,0,0,1,0|1,0,1]=4 1320 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl Amb17139628 [0,1,0,0,1,0|1,0,1]=4 1321 B13R1.19 CCCC(=O)Cc1ccc(cc1)F Amb17138963 [0,1,0,0,1,0|1,0,1]=4 1322 B13R1.19 CCCC(=O)N=C1C=CC(=O)C=C1 Amb24492406 [0,1,0,0,1,0|2,0,0]=4 1323 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br Amb1195957 [0,1,0,0,1,0|2,0,0]=4 1324 B13R1.19 CCCC(=O)Nc1ccc(cc1)N Amb1790767 [0,1,0,0,1,0|2,0,0]=4 1325 B13R1.19 CCNC(=O)Cc1ccc(S)cc1 Amb25358208 [0,1,0,0,1,0|1,0,1]=4 1326 B13R1.19 CCNC(=O)Cc1ccc(cc1)N Amb1112064 [0,1,0,0,1,0|1,0,1]=4 1327 B13R1.19 CCNC(=O)Nc1ccc(cc1)C Amb1240612 [0,1,0,0,1,0|2,0,0]=4 1328 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl Amb1233667 [0,1,0,0,1,0|2,0,0]=4 1329 B13R1.19 CCNC(=O)Oc1ccc(Br)cc1 Amb25681097 [0,1,0,0,1,0|2,0,0]=4 1330 B13R1.19 CCNC(=O)Oc1ccc(Cl)cc1 Amb22466857 [0,1,0,0,1,0|2,0,0]=4 1331 B13R1.19 CCNC(=O)Oc1ccc(F)cc1 Amb24588134 [0,1,0,0,1,0|2,0,0]=4 1332 B13R1.19 CCNC(=O)Oc1ccc(I)cc1 Amb24414718 [0,1,0,0,1,0|2,0,0]=4 1333 B13R1.19 CCNC(=O)Sc1ccc(Cl)cc1 Amb24534155 [0,1,0,0,1,0|2,0,0]=4 1334 B13R1.19 CCOC(=N)Cc1ccc(Br)cc1 Amb20673163 [0,1,0,0,1,0|1,0,1]=4 1335 B13R1.19 CCOC(=N)Cc1ccc(Br)cc1 Amb24089938 [0,1,0,0,1,0|1,0,1]=4 1336 B13R1.19 CCOC(=N)Cc1ccc(Cl)cc1 Amb18321860 [0,1,0,0,1,0|1,0,1]=4 1337 B13R1.19 CCOC(=N)Cc1ccc(Cl)cc1 Amb20673154 [0,1,0,0,1,0|1,0,1]=4 1338 B13R1.19 CCOC(=N)Cc1ccc(F)cc1 Amb20673149 [0,1,0,0,1,0|1,0,1]=4 1339 B13R1.19 CCOC(=O)C[n+]1ccc(cc1)C Amb10554031 [0,1,0,0,1,0|1,0,1]=4 1340 B13R1.19 CCOC(=O)Cc1cc[n+](cc1)C Amb10553743 [0,1,0,0,1,0|1,0,1]=4 1341 B13R1.19 CCOC(=O)Cc1ccc(Br)[n]c1 Amb23452632 [0,1,0,0,1,0|1,0,1]=4 1342 B13R1.19 CCOC(=O)Cc1ccc(Br)c[n]1 Amb21963596 [0,1,0,0,1,0|1,0,1]=4 1343 B13R1.19 CCOC(=O)Cc1ccc(Cl)[n]c1 Amb19515857 [0,1,0,0,1,0|1,0,1]=4 1344 B13R1.19 CCOC(=O)Cc1ccc(Cl)c[n]1 Amb23402253 [0,1,0,0,1,0|1,0,1]=4 1345 B13R1.19 CCOC(=O)Cc1ccc(I)c[n]1 Amb24183400 [0,1,0,0,1,0|1,0,1]=4 1346 B13R1.19 CCOC(=O)Cc1ccc(N)[n]c1 Amb22899575 [0,1,0,0,1,0|1,0,1]=4 1347 B13R1.19 CCOC(=O)Cc1ccc(N)c[n]1 Amb22234417 [0,1,0,0,1,0|1,0,1]=4 1348 B13R1.19 CCOC(=O)Cc1ccc(N)cc1 Amb22234960 [0,1,0,0,1,0|0,0,1]=3 1349 B13R1.19 CCOC(=O)Cc1ccc(O)c[n]1 Amb22405966 [0,1,0,0,1,0|1,0,1]=4 1350 B13R1.19 CCOC(=O)Cc1ccc(cc1)I Amb16230826 [0,1,0,0,1,0|0,0,1]=3 1351 B13R1.19 CCOC(=O)NC1=CNC(=O)C=C1 Amb25753387 [0,1,0,0,1,0|2,0,0]=4 1352 B13R1.19 CCOC(=O)Nc1ccc(F)[n]c1 Amb25114046 [0,1,0,0,1,0|2,0,0]=4 1353 B13R1.19 CCOC(=O)Nc1ccc(F)c[n]1 Amb24362486 [0,1,0,0,1,0|2,0,0]=4 1354 B13R1.19 CCOC(=O)Nc1ccc(I)c[n]1 Amb25134763 [0,1,0,0,1,0|2,0,0]=4 1355 B13R1.19 CCOC(=O)Nc1ccc(N)[n]c1 Amb18999686 [0,1,0,0,1,0|2,0,0]=4 1356 B13R1.19 CCOC(=O)Nc1ccc(N)c[n]1 Amb18128861 [0,1,0,0,1,0|2,0,0]=4 1357 B13R1.19 CCOC(=O)Nc1ccc(S)cc1 Amb25062910 [0,1,0,0,1,0|1,0,0]=3 1358 B13R1.19 CCOC(=O)Nc1ccc(cc1)C Amb2500803 [0,1,0,0,1,0|1,0,0]=3 1359 B13R1.19 CCOC(=O)Nc1ccc(cc1)Cl Amb1625034 [0,1,0,0,1,0|1,0,0]=3 1360 B13R1.19 CCOC(=O)Nc1ccc(cc1)F Amb1095971 [0,1,0,0,1,0|1,0,0]=3 1361 B13R1.19 CCOC(=O)Nc1ccc(cc1)I Amb1538826 [0,1,0,0,1,0|1,0,0]=3 1362 B13R1.19 CCOC(=O)Nc1ccc(nc1)Br Amb16982207 [0,1,0,0,1,0|2,0,0]=4 1363 B13R1.19 CCOC(=S)Nc1ccc(Cl)cc1 Amb25309515 [0,1,0,0,1,0|1,1,0]=4 1364 B13R1.19 CCOC(=S)Nc1ccc(F)cc1 Amb25759074 [0,1,0,0,1,0|1,1,0]=4 1365 B13R1.19 CCSC(=O)Nc1ccc(Cl)cc1 Amb22446313 [0,1,0,0,1,0|1,1,0]=4 1366 B13R1.19 CCSC(=O)Nc1ccc(F)cc1 Amb25249741 [0,1,0,0,1,0|1,1,0]=4 1367 B13R1.19 Cc1ccc(CC(=N)OCC)cc1 Amb20673135 [0,1,0,0,1,0|1,0,1]=4 1368 B13R1.19 Cc1ccc(CC(=O)OCC)c[n]1 Amb22899586 [0,1,0,0,1,0|1,0,1]=4 1369 B13R1.19 Cc1ccc(c[n]1)NC(=O)OCC Amb24103504 [0,1,0,0,1,0|2,0,0]=4 1370 B13R1.19 Cc1ccc(cc1)NC(=O)SCC Amb24383156 [0,1,0,0,1,0|1,1,0]=4 1371 B13R1.19 Cc1ccc(cc1)NC(=S)OCC Amb24308972 [0,1,0,0,1,0|1,1,0]=4 1372 B13R1.19 Cc1ccc(cc1)OC(=O)NCC Amb22359936 [0,1,0,0,1,0|2,0,0]=4 1373 B13R1.19 Cc1ccc(cc1)SC(=O)NCC Amb24585739 [0,1,0,0,1,0|2,0,0]=4 1374 B13R1.20 CCCC(=O)Cc1cccc(c1)C Amb17138796 [0,1,0,0,1,0|1,0,1]=4 1375 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl Amb17139627 [0,1,0,0,1,0|1,0,1]=4 1376 B13R1.20 CCCC(=O)Cc1cccc(c1)F Amb17138962 [0,1,0,0,1,0|1,0,1]=4 1377 B13R1.20 CCCC(=O)Nc1cccc(c1)N Amb10609260 [0,1,0,0,1,0|2,0,0]=4 1378 B13R1.20 CCCC(=O)Nc1cccc(c1)N Amb1798141 [0,1,0,0,1,0|2,0,0]=4 1379 B13R1.20 CCNC(=O)Cc1cc(Br)ccc1 Amb23111024 [0,1,0,0,1,0|1,0,1]=4 1380 B13R1.20 CCNC(=O)Cc1cc(Cl)ccc1 Amb23086727 [0,1,0,0,1,0|1,0,1]=4 1381 B13R1.20 CCNC(=O)Cc1cc(I)ccc1 Amb25832331 [0,1,0,0,1,0|1,0,1]=4 1382 B13R1.20 CCNC(=O)Cc1cc(O)ccc1 Amb18178662 [0,1,0,0,1,0|1,0,1]=4 1383 B13R1.20 CCNC(=O)Nc1cccc(c1)C Amb1233666 [0,1,0,0,1,0|2,0,0]=4 1384 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl Amb1234227 [0,1,0,0,1,0|2,0,0]=4 1385 B13R1.20 CCNC(=O)Oc1cccc(Br)c1 Amb25057413 [0,1,0,0,1,0|2,0,0]=4 1386 B13R1.20 CCNC(=O)Oc1cccc(Cl)c1 Amb25802684 [0,1,0,0,1,0|2,0,0]=4 1387 B13R1.20 CCOC(=N)Cc1cc(Cl)ccc1 Amb20673155 [0,1,0,0,1,0|1,0,1]=4 1388 B13R1.20 CCOC(=O)Cc1cc(Br)c[n]c1 Amb21857707 [0,1,0,0,1,0|1,0,1]=4 1389 B13R1.20 CCOC(=O)Cc1cc(F)c[n]c1 Amb19068169 [0,1,0,0,1,0|1,0,1]=4 1390 B13R1.20 CCOC(=O)Cc1cc(I)ccc1 Amb23402106 [0,1,0,0,1,0|0,0,1]=3 1391 B13R1.20 CCOC(=O)Cc1ccc[n+](c1)[O-] Amb10553693 [0,1,0,0,1,0|1,0,1]=4 1392 B13R1.20 CCOC(=O)Cc1cccc(Br)[n]1 Amb22001965 [0,1,0,0,1,0|1,0,1]=4 1393 B13R1.20 CCOC(=O)Cc1cccc(Cl)[n]1 Amb22490590 [0,1,0,0,1,0|1,0,1]=4 1394 B13R1.20 CCOC(=O)Cc1cccc(c1)Br Amb17349305 [0,1,0,0,1,0|0,0,1]=3 1395 B13R1.20 CCOC(=O)Cc1cccc(c1)O Amb17614082 [0,1,0,0,1,0|0,0,1]=3 1396 B13R1.20 CCOC(=O)Cc1cccc(n1)C Amb15692898 [0,1,0,0,1,0|1,0,1]=4 1397 B13R1.20 CCOC(=O)Nc1c[n+]([O-])ccc1 Amb24310155 [0,1,0,0,1,0|2,0,0]=4 1398 B13R1.20 CCOC(=O)Nc1c[n]cc(Cl)c1 Amb24490168 [0,1,0,0,1,0|2,0,0]=4 1399 B13R1.20 CCOC(=O)Nc1cc[n]c(Br)c1 Amb24470608 [0,1,0,0,1,0|2,0,0]=4 1400 B13R1.20 CCOC(=O)Nc1cc[n]c(Cl)c1 Amb22462755 [0,1,0,0,1,0|2,0,0]=4 1401 B13R1.20 CCOC(=O)Nc1cc[n]c(N)c1 Amb24737296 [0,1,0,0,1,0|2,0,0]=4 1402 B13R1.20 CCOC(=O)Nc1ccc[n+](c1)C Amb10553788 [0,1,0,0,1,0|2,0,0]=4 1403 B13R1.20 CCOC(=O)Nc1cccc(F)[n]1 Amb24330398 [0,1,0,0,1,0|2,0,0]=4 1404 B13R1.20 CCOC(=O)Nc1cccc(F)c1 Amb17786024 [0,1,0,0,1,0|1,0,0]=3 1405 B13R1.20 CCOC(=O)Nc1cccc(I)c1 Amb24400790 [0,1,0,0,1,0|1,0,0]=3 1406 B13R1.20 CCOC(=O)Nc1cccc(c1)N Amb13949212 [0,1,0,0,1,0|1,0,0]=3 1407 B13R1.20 CCOC(=O)Nc1cccc(n1)C Amb10553731 [0,1,0,0,1,0|2,0,0]=4 1408 B13R1.20 CCOC(=O)Nc1nccc(c1)C Amb10553730 [0,1,0,0,1,0|2,0,0]=4 1409 B13R1.20 CCSC(=O)Nc1cccc(O)c1 Amb24724710 [0,1,0,0,1,0|1,1,0]=4 1410 B13R1.20 Cc1cc(CC(=N)OCC)ccc1 Amb20673148 [0,1,0,0,1,0|1,0,1]=4 1411 B13R1.20 Cc1cc(cc[n]1)NC(=O)OCC Amb24721987 [0,1,0,0,1,0|2,0,0]=4 1412 B13R1.20 Cc1cc(ccc1)NC(=S)OCC Amb24308973 [0,1,0,0,1,0|1,1,0]=4 1413 B13R1.20 Cc1cc(ccc1)OC(=O)CCC Amb24063564 [0,1,0,0,1,0|2,0,0]=4 1414 B13R1.20 Cc1cc(ccc1)OC(=O)NCC Amb24490235 [0,1,0,0,1,0|2,0,0]=4 1415 B13R1.20 Cc1cc(ccc1)SC(=O)NCC Amb22486823 [0,1,0,0,1,0|2,0,0]=4 1416 B13R1.20 Cc1cccc(CC(=O)OCC)[n]1 Amb24081752 [0,1,0,0,1,0|1,0,1]=4 1417 B13R1.47 CCCC(=O)C(=O)c1ccccc1 Amb17594478 [0,1,0,0,1,0|1,0,0]=3 1418 B13R1.47 CCCC(=O)N(N)c1ccccc1 Amb24096809 [0,1,0,0,1,0|2,0,0]=4 1419 B13R1.47 CCNC(=O)C(=O)c1ccccc1 Amb17335165 [0,1,0,0,1,0|1,0,0]=3 1420 B13R1.47 CCNC(=O)C(Br)c1ccccc1 Amb24534740 [0,1,0,0,1,0|1,0,1]=4 1421 B13R1.47 CCNC(=O)C(C)c1ccccc1 Amb24490195 [0,1,0,0,1,0|1,0,1]=4 1422 B13R1.47 CCNC(=O)C(c1ccccc1)O Amb17400707 [0,1,0,0,1,0|1,0,1]=4 1423 B13R1.47 CCNC(=O)N(N)c1ccccc1 Amb24490460 [0,1,0,0,1,0|2,0,0]=4 1424 B13R1.47 CCNC(=O)[C@@H](O)c1ccccc1 Amb24358180 [0,1,0,0,1,0|1,0,1]=4 1425 B13R1.47 CCNC(=O)[C@H](C)c1ccccc1 Amb25780108 [0,1,0,0,1,0|1,0,1]=4 1426 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 Amb24468904 [0,1,0,0,1,0|1,0,1]=4 1427 B13R1.47 CCNC(=O)[C@H](c1ccccc1)N Amb17233443 [0,1,0,0,1,0|1,0,1]=4 1428 B13R1.47 CCOC(=O)C(=C)c1ccccc1 Amb10602132 [0,1,0,0,1,0|0,0,0]=2 1429 B13R1.47 CCOC(=O)C(=O)c1c[n]ccc1 Amb19957923 [0,1,0,0,1,0|1,0,0]=3 1430 B13R1.47 CCOC(=O)C(=O)c1ccccc1 Amb1216483 [0,1,0,0,1,0|0,0,0]=2 1431 B13R1.47 CCOC(=O)C(Br)c1cc[n]cc1 Amb24309216 [0,1,0,0,1,0|1,0,1]=4 1432 B13R1.47 CCOC(=O)C(Br)c1cccc[n]1 Amb24066454 [0,1,0,0,1,0|1,0,1]=4 1433 B13R1.47 CCOC(=O)C(Cl)[N]1=CC=CC=C1 Amb17772423 [0,1,0,0,1,0|1,0,1]=4 1434 B13R1.47 CCOC(=O)C(N)c1ccc[n]c1 Amb19003474 [0,1,0,0,1,0|1,0,1]=4 1435 B13R1.47 CCOC(=O)C(N)c1ccc[n]c1 Amb23401703 [0,1,0,0,1,0|1,0,1]=4 1436 B13R1.47 CCOC(=O)C(N)c1ccccn1 Amb17935885 [0,1,0,0,1,0|1,0,1]=4 1437 B13R1.47 CCOC(=O)C(N)c1ccncc1 Amb17935886 [0,1,0,0,1,0|1,0,1]=4 1438 B13R1.47 CCOC(=O)C(O)c1ccc[n]c1 Amb18186776 [0,1,0,0,1,0|1,0,1]=4 1439 B13R1.47 CCOC(=O)C(O)c1ccc[n]c1 Amb19351688 [0,1,0,0,1,0|1,0,1]=4 1440 B13R1.47 CCOC(=O)C([n+]1ccccc1)C Amb10554473 [0,1,0,0,1,0|1,0,1]=4 1441 B13R1.47 CCOC(=O)C(c1ccccc1)Cl Amb1647396 [0,1,0,0,1,0|0,0,1]=3 1442 B13R1.47 CCOC(=O)C(c1ccccc1)[NH3+] Amb1865585 [0,1,0,0,1,0|0,0,1]=3 1443 B13R1.47 CCOC(=O)[C@@H](N)c1ccccc1 Amb17678824 [0,1,0,0,1,0|0,0,1]=3 1444 B13R1.47 CCOC(=O)[C@H](N)c1ccccc1 Amb19889826 [0,1,0,0,1,0|0,0,1]=3 1445 B13R1.47 CCOC(=O)[C@H](c1ccccc1)N Amb10844947 [0,1,0,0,1,0|0,0,1]=3 1446 B13R1.47 CC\C=C(/Cl)\C(=O)c1ccccc1 Amb24394890 [0,1,0,0,1,0|2,0,0]=4 1447 B13R1.47 CC\C=C(/F)\C(=O)c1ccccc1 Amb24584481 [0,1,0,0,1,0|2,0,0]=4 1448 B13R1.47 CN(C(=O)NCC)c1ccccc1 Amb25237616 [0,1,0,0,1,0|2,0,0]=4 1449 B13R1.47 CN(C(=O)OCC)c1cccc[n]1 Amb24095648 [0,1,0,0,1,0|2,0,0]=4 1450 B13R1.47 C\C=C\C(=O)C(=C)c1ccccc1 Amb25190287 [0,1,0,0,1,0|1,0,1]=4 1451 B13R1.79 CCOC(Nc1ccccc1)=S=O Amb24490202 [0,1,0,0,1,0|1,0,0]=3 1452 B13R1.79 CCO\C(=N\c1ccccc1)\S[Na] Amb22443641 [0,1,0,0,1,0|1,1,0]=4 1453 B13R1.79 CCO\C(\C=O)=C/c1ccccc1 Amb22546895 [0,1,0,0,1,0|0,0,0]=2 1454 B13R1.79 CCO\C(\NC)=N\c1ccccc1 Amb24374042 [0,1,0,0,1,0|2,0,0]=4 1455 B13R1.79 CSC\C(=C/c1ccccc1)\C=O Amb16232251 [0,1,0,0,1,0|2,0,0]=4 1456 B13R1.348 CC(=C)OC(=O)Nc1ccccc1 Amb25121132 [0,1,0,0,1,0|1,0,1]=4 1457 B13R1.348 CC(C)OC(=O)Nc1ccc[n]c1 Amb24668962 [0,1,0,0,1,0|2,0,0]=4 1458 B13R1.348 CC(CC(=O)Cc1ccccc1)C Amb15690932 [0,1,0,0,1,0|1,0,1]=4 1459 B13R1.348 CC(Cl)CC(=O)Nc1ccccc1 Amb17836214 [0,1,0,0,1,0|2,0,0]=4 1460 B13R1.348 CC(Cl)OC(=O)Oc1ccccc1 Amb22054620 [0,1,0,0,1,0|1,0,0]=3 1461 B13R1.348 CC(N)CC(=O)Nc1ccccc1 Amb18968728 [0,1,0,0,1,0|2,0,0]=4 1462 B13R1.348 CC(N)C\C(\Br)=C\c1ccccc1 Amb25258493 [0,1,0,0,1,0|2,0,0]=4 1463 B13R1.348 CC(N)C\C(\Cl)=C/c1ccccc1 Amb25684851 [0,1,0,0,1,0|2,0,0]=4 1464 B13R1.348 CC(O)CC(=O)Sc1ccccc1 Amb20671502 [0,1,0,0,1,0|2,0,0]=4 1465 B13R1.348 CC(O)NC(=O)Cc1ccccc1 Amb25737869 [0,1,0,0,1,0|1,0,1]=4 1466 B13R1.348 CC(OC(=S)Nc1ccccc1)C Amb1625289 [0,1,0,0,1,0|1,1,0]=4 1467 B13R1.348 CN(C)OC(=O)Nc1ccccc1 Amb25293780 [0,1,0,0,1,0|2,0,0]=4 1468 B13R1.348 C[C@@H](N)CC(=O)Nc1ccccc1 Amb25312054 [0,1,0,0,1,0|2,0,0]=4 1469 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 Amb25075634 [0,1,0,0,1,0|2,0,0]=4 1470 B13R1.348 C[C@H](O)CC(=O)Nc1ccccc1 Amb24452163 [0,1,0,0,1,0|2,0,0]=4 1471 B13R1.348 C\C(\CC(C)N)=C/c1ccccc1 Amb25113467 [0,1,0,0,1,0|2,0,0]=4 1472 B13R1.348 C\C(\C[C@@H](C)O)=C/c1ccccc1 Amb24495452 [0,1,0,0,1,0|2,0,0]=4 1473 B13R1.348 C\C(\C[C@H](C)O)=C/c1ccccc1 Amb24576963 [0,1,0,0,1,0|2,0,0]=4 1474 B13R1.470 CCCC(=O)Cc1ccccc1C Amb17138794 [0,1,0,0,1,0|1,0,1]=4 1475 B13R1.470 CCCC(=O)Cc1ccccc1Cl Amb17139625 [0,1,0,0,1,0|1,0,1]=4 1476 B13R1.470 CCCC(=O)Cc1ccccc1F Amb17138960 [0,1,0,0,1,0|1,0,1]=4 1477 B13R1.470 CCNC(=O)Cc1ccccc1Br Amb22230625 [0,1,0,0,1,0|1,0,1]=4 1478 B13R1.470 CCNC(=O)Cc1ccccc1Cl Amb23014083 [0,1,0,0,1,0|1,0,1]=4 1479 B13R1.470 CCNC(=O)Cc1ccccc1N Amb1121104 [0,1,0,0,1,0|1,0,1]=4 1480 B13R1.470 CCNC(=O)Nc1ccccc1C Amb2236972 [0,1,0,0,1,0|2,0,0]=4 1481 B13R1.470 CCNC(=O)Nc1ccccc1F Amb2236700 [0,1,0,0,1,0|2,0,0]=4 1482 B13R1.470 CCNC(=O)Oc1ccccc1Br Amb24414719 [0,1,0,0,1,0|2,0,0]=4 1483 B13R1.470 CCNC(=O)Oc1ccccc1Cl Amb22486818 [0,1,0,0,1,0|2,0,0]=4 1484 B13R1.470 CCNC(=O)Oc1ccccc1F Amb25057414 [0,1,0,0,1,0|2,0,0]=4 1485 B13R1.470 CCNC(=O)Oc1ccccc1O Amb24611188 [0,1,0,0,1,0|2,0,0]=4 1486 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb19083262 [0,1,0,0,1,0|1,0,1]=4 1487 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb20673156 [0,1,0,0,1,0|1,0,1]=4 1488 B13R1.470 CCOC(=N)Cc1ccccc1F Amb20673150 [0,1,0,0,1,0|1,0,1]=4 1489 B13R1.470 CCOC(=N)Nc1ccccc1O Amb24557161 [0,1,0,0,1,0|2,0,0]=4 1490 B13R1.470 CCOC(=O)CN1C=CC=CC1=O Amb18186767 [0,1,0,0,1,0|1,0,1]=4 1491 B13R1.470 CCOC(=O)C[n+]1ccccc1C Amb10553985 [0,1,0,0,1,0|1,0,1]=4 1492 B13R1.470 CCOC(=O)Cc1[n]cccc1Br Amb21963898 [0,1,0,0,1,0|1,0,1]=4 1493 B13R1.470 CCOC(=O)Cc1[n]cccc1I Amb22499041 [0,1,0,0,1,0|1,0,1]=4 1494 B13R1.470 CCOC(=O)Cc1[n]cccc1N Amb22295863 [0,1,0,0,1,0|1,0,1]=4 1495 B13R1.470 CCOC(=O)Cc1[n]cccc1O Amb18648470 [0,1,0,0,1,0|1,0,1]=4 1496 B13R1.470 CCOC(=O)Cc1cc[n]cc1Br Amb21962528 [0,1,0,0,1,0|1,0,1]=4 1497 B13R1.470 CCOC(=O)Cc1cc[n]cc1N Amb18128678 [0,1,0,0,1,0|1,0,1]=4 1498 B13R1.470 CCOC(=O)Cc1cc[n]cc1N Amb24086005 [0,1,0,0,1,0|1,0,1]=4 1499 B13R1.470 CCOC(=O)Cc1ccc[n]c1Cl Amb21960759 [0,1,0,0,1,0|1,0,1]=4 1500 B13R1.470 CCOC(=O)Cc1cccc[n+]1C Amb10554009 [0,1,0,0,1,0|1,0,1]=4 1501 B13R1.470 CCOC(=O)Cc1ccccc1I Amb22475916 [0,1,0,0,1,0|0,0,1]=3 1502 B13R1.470 CCOC(=O)Cc1ccccc1O Amb17614081 [0,1,0,0,1,0|0,0,1]=3 1503 B13R1.470 CCOC(=O)Nc1[n]cccc1Br Amb25715056 [0,1,0,0,1,0|2,0,0]=4 1504 B13R1.470 CCOC(=O)Nc1[n]cccc1N Amb18128862 [0,1,0,0,1,0|2,0,0]=4 1505 B13R1.470 CCOC(=O)Nc1c[n]ccc1O Amb18129000 [0,1,0,0,1,0|2,0,0]=4 1506 B13R1.470 CCOC(=O)Nc1cc[n]cc1F Amb24684630 [0,1,0,0,1,0|2,0,0]=4 1507 B13R1.470 CCOC(=O)Nc1cc[n]cc1N Amb19002524 [0,1,0,0,1,0|2,0,0]=4 1508 B13R1.470 CCOC(=O)Nc1cc[n]cc1O Amb25120613 [0,1,0,0,1,0|2,0,0]=4 1509 B13R1.470 CCOC(=O)Nc1ccc[n]c1Br Amb18155630 [0,1,0,0,1,0|2,0,0]=4 1510 B13R1.470 CCOC(=O)Nc1ccc[n]c1N Amb18128863 [0,1,0,0,1,0|2,0,0]=4 1511 B13R1.470 CCOC(=O)Nc1ccc[n]c1O Amb24490364 [0,1,0,0,1,0|2,0,0]=4 1512 B13R1.470 CCOC(=O)Nc1cccc[n+]1[O-] Amb10553013 [0,1,0,0,1,0|2,0,0]=4 1513 B13R1.470 CCOC(=O)Nc1ccccc1O Amb18128818 [0,1,0,0,1,0|1,0,0]=3 1514 B13R1.470 CCOC(=O)Nc1ccccc1S Amb24444867 [0,1,0,0,1,0|1,0,0]=3 1515 B13R1.470 CCOC(=O)Nc1cccnc1Cl Amb17792635 [0,1,0,0,1,0|2,0,0]=4 1516 B13R1.470 CCOC(=O)Nc1ncccc1O Amb15692884 [0,1,0,0,1,0|2,0,0]=4 1517 B13R1.470 Cc1[n]cccc1CC(=O)OCC Amb24097206 [0,1,0,0,1,0|1,0,1]=4 1518 B13R1.470 Cc1c[n]ccc1CC(=O)OCC Amb22739815 [0,1,0,0,1,0|1,0,1]=4 1519 B13R1.470 Cc1cc[n]cc1NC(=O)OCC Amb25372328 [0,1,0,0,1,0|2,0,0]=4 1520 B13R1.470 Cc1ccccc1CC(=N)OCC Amb20673147 [0,1,0,0,1,0|1,0,1]=4 1521 B13R1.470 Cc1ccccc1NC(=N)OCC Amb25375687 [0,1,0,0,1,0|2,0,0]=4 1522 B13R1.470 Cc1ccccc1OC(=O)NCC Amb24490439 [0,1,0,0,1,0|2,0,0]=4 1523 B13R1.470 Cc1ccccc1OC(=O)OCC Amb22733215 [0,1,0,0,1,0|1,0,0]=3 1524 B13R1.1327 CCOP(O)(=O)Cc1ccccc1 Amb22487252 [0,1,0,0,1,0|1,0,1]=4 1525 B13R1.33 CCOC(=O)CC(=O)c1cc[nH]c1 Amb24087758 [0,1,0,0,1,0|1,0,1]=4 1526 B13R1.33 CCOC(=O)CC(=O)c1ccc[nH]1 Amb22490231 [0,1,0,0,1,0|1,0,1]=4 1527 B13R1.33 CCOC(=O)CC(=O)c1ccco1 Amb1945953 [0,1,0,0,1,0|1,0,1]=4 1528 B13R1.33 CCOC(=O)NC(=O)c1ccc[s]1 Amb25054636 [0,1,0,0,1,0|2,0,0]=4 1529 B13R1.33 CCOC(=O)NC(=O)c1ccco1 Amb25192633 [0,1,0,0,1,0|2,0,0]=4 1530 B13R1.33 CCOC(=O)NC(=S)c1ccc[s]1 Amb22471776 [0,1,0,0,1,0|2,0,0]=4 1531 B13R1.41 CCNC(=O)/C=C/c1ccc(C)o1 Amb17736963 [0,1,0,0,1,0|2,0,0]=4 1532 B13R1.41 CCNC(=O)\C=C\c1cc(Br)c[s]1 Amb24703980 [0,1,0,0,1,0|2,0,0]=4 1533 B13R1.41 CCNC(=O)\C=C\c1ccc(Br)o1 Amb24388131 [0,1,0,0,1,0|2,0,0]=4 1534 B13R1.41 CCNC(=O)\C=C\c1ccc(I)o1 Amb25136059 [0,1,0,0,1,0|2,0,0]=4 1535 B13R1.66 CCOC(=O)C(=O)Nc1c[s]cc1 Amb25118876 [0,1,0,0,1,0|2,0,0]=4 1536 B13R1.444 C[n]1cccc1C=CC(=O)OCC Amb24090088 [0,1,0,0,1,0|1,0,0]=3 1537 B13R1.444 C[n]1cccc1\C=C\C(=O)NCC Amb24352765 [0,1,0,0,1,0|2,0,0]=4 1538 B13R1.444 Cc1cc[s]c1\C=C\C(=O)NCC Amb25285777 [0,1,0,0,1,0|2,0,0]=4 1539 B13R1.593 CC(C)NC(=O)\C=C\c1cc[nH]c1 Amb25106670 [0,1,0,0,1,0|2,0,0]=4 1540 B13R1.593 CC(CC(=O)\C=C\c1ccco1)C Amb17594541 [0,1,0,0,1,0|2,0,0]=4 1541 B15R1.11 CCCC(=O)N\N=C\c1ccc(cc1)Cl Amb1630851 [0,1,0,0,0,1|2,0,0]=4 1542 B15R1.11 CCCC(=O)N\N=C\c1ccc(cc1)F Amb1630849 [0,1,0,0,0,1|2,0,0]=4 1543 B15R1.11 CCCC(=O)\C=C\Nc1ccc(cc1)C Amb10559695 [0,1,0,0,0,1|1,0,0]=3 1544 B15R1.11 CCOC(=O)CCCc1ccc(Br)cc1 Amb18110225 [0,1,0,0,0,1|0,0,2]=4 1545 B15R1.11 CCOC(=O)CCCc1ccc(Cl)cc1 Amb18110226 [0,1,0,0,0,1|0,0,2]=4 1546 B15R1.11 CCOC(=O)CCCc1ccc(F)cc1 Amb18110227 [0,1,0,0,0,1|0,0,2]=4 1547 B15R1.11 CCOC(=O)CCCc1ccc(N)cc1 Amb20247754 [0,1,0,0,0,1|0,0,2]=4 1548 B15R1.11 CCOC(=O)CCCc1ccc(O)cc1 Amb22491838 [0,1,0,0,0,1|0,0,2]=4 1549 B15R1.11 CCOC(=O)CCNc1ccc(cc1)Br Amb1981436 [0,1,0,0,0,1|0,0,2]=4 1550 B15R1.11 CCOC(=O)CNCc1ccc(cc1)Br Amb17305755 [0,1,0,0,0,1|0,0,2]=4 1551 B15R1.11 CCOC(=O)CNCc1ccc(cc1)C Amb13951238 [0,1,0,0,0,1|0,0,2]=4 1552 B15R1.11 CCOC(=O)CNCc1ccc(cc1)F Amb13951825 [0,1,0,0,0,1|0,0,2]=4 1553 B15R1.11 CCOC(=O)CSCc1ccc(Br)cc1 Amb22285149 [0,1,0,0,0,1|0,0,2]=4 1554 B15R1.11 CCOC(=O)CSCc1ccc(Cl)cc1 Amb17799390 [0,1,0,0,0,1|0,0,2]=4 1555 B15R1.11 CCOC(=O)NCCc1ccc(Cl)cc1 Amb22285178 [0,1,0,0,0,1|0,0,2]=4 1556 B15R1.11 CCOC(=O)NCCc1ccc(cc1)C Amb17602687 [0,1,0,0,0,1|0,0,2]=4 1557 B15R1.11 CCOC(=O)NCCc1ccc(cc1)F Amb17602688 [0,1,0,0,0,1|0,0,2]=4 1558 B15R1.11 CCOC(=O)\C=C\Cc1ccc(Cl)cc1 Amb22169827 [0,1,0,0,0,1|0,0,0]=2 1559 B15R1.11 CCOC(=O)\C=C\Nc1ccc(cc1)C Amb10559694 [0,1,0,0,0,1|0,0,0]=2 1560 B15R1.11 Cc1ccc(CCCC(=O)OCC)cc1 Amb18629310 [0,1,0,0,0,1|0,0,2]=4 1561 B15R1.89 CCNC(=O)CCC(=O)c1ccccc1 Amb17338274 [0,1,0,0,0,1|1,0,1]=4 1562 B15R1.89 CCOC(=O)CCC(Br)c1ccccc1 Amb24089411 [0,1,0,0,0,1|0,0,2]=4 1563 B15R1.89 CCOC(=O)CCC(c1ccccc1)Cl Amb17217298 [0,1,0,0,0,1|0,0,2]=4 1564 B15R1.89 CCOC(=O)CNC(=O)c1ccccn1 Amb11405825 [0,1,0,0,0,1|1,0,1]=4 1565 B15R1.89 CCOC(=O)CN[C@@H](C)c1ccccc1 Amb17739848 [0,1,0,0,0,1|0,0,2]=4 1566 B15R1.89 CCOC(=O)CN[C@H](C)c1ccccc1 Amb17935772 [0,1,0,0,0,1|0,0,2]=4 1567 B15R1.89 CCOC(=O)COC(=O)c1cccnc1 Amb1965931 [0,1,0,0,0,1|1,0,1]=4 1568 B15R1.89 CCOC(=O)CSC(=O)c1ccccc1 Amb10573023 [0,1,0,0,0,1|0,0,1]=3 1569 B15R1.89 CCOC(=O)CSC(=O)c1ccccn1 Amb10573024 [0,1,0,0,0,1|1,0,1]=4 1570 B15R1.89 CCOC(=O)NCC(C)c1ccccc1 Amb22285176 [0,1,0,0,0,1|0,0,2]=4 1571 B15R1.89 CCOC(=O)NNC(=O)c1ccccn1 Amb10553695 [0,1,0,0,0,1|2,0,0]=4 1572 B15R1.89 CCOC(=O)NNC(=O)c1ccncc1 Amb2550228 [0,1,0,0,0,1|2,0,0]=4 1573 B15R1.89 CCOC(=O)O\N=C(/N)\c1ccccc1 Amb22370859 [0,1,0,0,0,1|1,0,0]=3 1574 B15R1.89 CCOC(=O)O\N=C(\c1cccnc1)/N Amb10075141 [0,1,0,0,0,1|2,0,0]=4 1575 B15R1.89 CCOC(=O)\C=C\C(=O)c1ccccc1 Amb2435419 [0,1,0,0,0,1|0,0,0]=2 1576 B15R1.89 CCO\C(=N/NC(=O)c1ccccc1)\C Amb2413383 [0,1,0,0,0,1|2,0,0]=4 1577 B15R1.157 CCOCC(=O)NOCc1ccccc1 Amb21387974 [0,1,0,0,0,1|1,0,1]=4 1578 B15R1.157 CCONC(=O)COCc1ccccc1 Amb20813706 [0,1,0,0,0,1|0,0,2]=4 1579 B15R1.157 OCCCC(=O)N\N=C\c1ccccc1 Amb2445523 [0,1,0,0,0,1|2,0,0]=4 1580 B15R1.157 OCCOC(=O)NOCc1ccccc1 Amb25351315 [0,1,0,0,0,1|1,0,1]=4 1581 B15R1.633 CCOC(=O)CCCc1cccc(c1)O Amb15692061 [0,1,0,0,0,1|0,0,2]=4 1582 B15R1.633 CCOC(=O)CCNc1cccc(O)c1 Amb18607736 [0,1,0,0,0,1|0,0,2]=4 1583 B15R1.633 CCOC(=O)CNCc1cccc(c1)C Amb17305756 [0,1,0,0,0,1|0,0,2]=4 1584 B15R1.633 CCOC(=O)CNCc1cccc(c1)Cl Amb17305757 [0,1,0,0,0,1|0,0,2]=4 1585 B15R1.633 CCOC(=O)CSCc1cccc(Cl)c1 Amb17760103 [0,1,0,0,0,1|0,0,2]=4 1586 B15R1.633 CCOC(=O)N\N=C\c1cccc(c1)Br Amb2246204 [0,1,0,0,0,1|1,0,0]=3 1587 B15R1.633 CCOC(=O)N\N=C\c1cccc(c1)C Amb1676858 [0,1,0,0,0,1|1,0,0]=3 1588 B15R1.633 CCOC(=O)N\N=C\c1cccc(c1)Cl Amb1007997 [0,1,0,0,0,1|1,0,0]=3 1589 B15R1.633 CCOC(=O)N\N=C\c1cccc(c1)F Amb2245591 [0,1,0,0,0,1|1,0,0]=3 1590 B15R1.633 Cc1cc(ccc1)NC=CC(=O)OCC Amb22443316 [0,1,0,0,0,1|0,0,0]=2 1591 B15R1.809 CCCC(=O)NC(=O)Nc1ccccc1 Amb22347421 [0,1,0,0,0,1|2,0,0]=4 1592 B15R1.809 CCCC(=O)NC(=S)Nc1ccccc1 Amb1843996 [0,1,0,0,0,1|2,0,0]=4 1593 B15R1.809 CCNC(=O)CC(=O)Nc1ccccc1 Amb22171877 [0,1,0,0,0,1|1,0,1]=4 1594 B15R1.809 CCNC(=O)NC(=O)Cc1ccccc1 Amb22467072 [0,1,0,0,0,1|1,0,1]=4 1595 B15R1.809 CCOC(=O)CC(=N)Oc1ccccc1 Amb20247941 [0,1,0,0,0,1|0,0,1]=3 1596 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 Amb16231502 [0,1,0,0,0,1|0,0,1]=3 1597 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 Amb2051237 [0,1,0,0,0,1|0,0,1]=3 1598 B15R1.809 CCOC(=O)CC(Br)Cc1ccccc1 Amb18111253 [0,1,0,0,0,1|0,0,2]=4 1599 B15R1.809 CCOC(=O)CC(Cl)Cc1ccccc1 Amb18111252 [0,1,0,0,0,1|0,0,2]=4 1600 B15R1.809 CCOC(=O)NC(=S)Nc1ccccn1 Amb2409475 [0,1,0,0,0,1|2,0,0]=4 1601 B15R1.809 CCOC(=O)NC(=S)Oc1cccnc1 Amb10561067 [0,1,0,0,0,1|2,0,0]=4 1602 B15R1.809 CCOC(=O)\C=C(/Oc1ccccc1)\[NH3+] Amb2424140 [0,1,0,0,0,1|0,0,0]=2 1603 B15R1.826 CCCC(=O)C(=O)NCc1ccccc1 Amb25315088 [0,1,0,0,0,1|1,0,1]=4 1604 B15R1.826 CCOC(=O)C(=O)C#Cc1ccccc1 Amb10562719 [0,1,0,0,0,1|0,0,1]=3 1605 B15R1.826 CCOC(=O)C(=O)CCc1c[n]ccc1 Amb24066472 [0,1,0,0,0,1|1,0,1]=4 1606 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 Amb1233213 [0,1,0,0,0,1|0,0,1]=3 1607 B15R1.826 CCOC(=O)C(=O)NCc1cccc[n]1 Amb21953018 [0,1,0,0,0,1|1,0,1]=4 1608 B15R1.826 CCOC(=O)C(=O)NCc1ccccc1 Amb2221403 [0,1,0,0,0,1|0,0,1]=3 1609 B15R1.826 CCOC(=O)C(=O)\C=C\c1ccccc1 Amb10567321 [0,1,0,0,0,1|0,0,0]=2 1610 B15R1.826 CCOC(=O)C(Cl)CCc1ccccc1 Amb20621212 [0,1,0,0,0,1|0,0,2]=4 1611 B15R1.826 CCOC(=O)C(F)NCc1ccccc1 Amb24657371 [0,1,0,0,0,1|0,0,2]=4 1612 B15R1.826 CCOC(=O)C(N)CCc1ccccc1 Amb22552542 [0,1,0,0,0,1|0,0,2]=4 1613 B15R1.826 CCOC(=O)C(O)CCc1ccccc1 Amb20621230 [0,1,0,0,0,1|0,0,2]=4 1614 B15R1.826 CCOC(=O)C(\N=C\c1ccccc1)C Amb17609055 [0,1,0,0,0,1|0,0,1]=3 1615 B15R1.826 CCOC(=O)[C@@H](C)OCc1ccccc1 Amb19132242 [0,1,0,0,0,1|0,0,2]=4 1616 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)N Amb15690587 [0,1,0,0,0,1|0,0,2]=4 1617 B15R1.826 CCOC(=O)[C@@H](OCc1ccccc1)C Amb17613955 [0,1,0,0,0,1|0,0,2]=4 1618 B15R1.826 CCOC(=O)[C@H](C)NCc1ccccc1 Amb25131194 [0,1,0,0,0,1|0,0,2]=4 1619 B15R1.826 CCOC(=O)\C(=N/Nc1ccccc1)\Cl Amb1981002 [0,1,0,0,0,1|1,0,0]=3 1620 B15R1.826 CCOC(=O)\C(=N\Nc1ccccc1)\C Amb1213122 [0,1,0,0,0,1|1,0,0]=3 1621 B15R1.826 CCOC(=O)\C(\N)=N/Nc1ccccc1 Amb19928994 [0,1,0,0,0,1|1,0,0]=3 1622 B15R1.1252 CCOC(=O)CCCc1ccccc1O Amb15692062 [0,1,0,0,0,1|0,0,2]=4 1623 B15R1.1252 CCOC(=O)NOCc1ccccc1Cl Amb22347745 [0,1,0,0,0,1|1,0,1]=4 1624 B15R1.1252 CCOC(=O)N\N=C\c1ccccc1Br Amb2245334 [0,1,0,0,0,1|1,0,0]=3 1625 B15R1.1252 CCOC(=O)N\N=C\c1ccccc1O Amb1087800 [0,1,0,0,0,1|1,0,0]=3 1626 B15R1.1306 CCC(\C=C\Cc1ccccc1)OCC Amb10563467 [0,1,0,0,0,1|1,0,1]=4 1627 B15R1.9084 CC(C)OC(=O)CCSc1ccccc1 Amb22266204 [0,1,0,0,0,1|0,0,2]=4 1628 B15R1.9084 CC(C)OC(=O)COCc1ccccc1 Amb25120186 [0,1,0,0,0,1|0,0,2]=4 1629 B15R1.23 CCNC(=O)C=C(c1ccc(cc1)F)C Amb15726199 [0,2,0,0,0,0|1,0,0]=3 1630 B15R1.23 CCOC(=O)CC(=O)c1c[n]c(Cl)cc1 Amb19944631 [0,2,0,0,0,0|1,0,1]=4 1631 B15R1.23 CCOC(=O)CC(=O)c1ccc(F)c[n]1 Amb24117233 [0,2,0,0,0,0|1,0,1]=4 1632 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)I Amb10605281 [0,2,0,0,0,0|0,0,1]=3 1633 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O Amb10766326 [0,2,0,0,0,0|0,0,1]=3 1634 B15R1.23 CCOC(=O)CC(O)c1ccc(Br)cc1 Amb22059108 [0,2,0,0,0,0|0,0,2]=4 1635 B15R1.23 CCOC(=O)CC(c1ccc(cc1)Br)N Amb1840024 [0,2,0,0,0,0|0,0,2]=4 1636 B15R1.23 CCOC(=O)CC(c1ccc(cc1)Br)N Amb2234506 [0,2,0,0,0,0|0,0,2]=4 1637 B15R1.23 CCOC(=O)CC(c1ccc(cc1)C)N Amb1039536 [0,2,0,0,0,0|0,0,2]=4 1638 B15R1.23 CCOC(=O)CC(c1ccc(cc1)C)N Amb2234520 [0,2,0,0,0,0|0,0,2]=4 1639 B15R1.23 CCOC(=O)CC(c1ccc(cc1)Cl)N Amb1837276 [0,2,0,0,0,0|0,0,2]=4 1640 B15R1.23 CCOC(=O)CC(c1ccc(cc1)Cl)N Amb2234508 [0,2,0,0,0,0|0,0,2]=4 1641 B15R1.23 CCOC(=O)CC(c1ccc(cc1)F)N Amb1039653 [0,2,0,0,0,0|0,0,2]=4 1642 B15R1.23 CCOC(=O)CC(c1ccc(cc1)F)N Amb2234504 [0,2,0,0,0,0|0,0,2]=4 1643 B15R1.23 CCOC(=O)CC(c1ccc(cc1)I)N Amb1837431 [0,2,0,0,0,0|0,0,2]=4 1644 B15R1.23 CCOC(=O)CC(c1ccc(cc1)I)N Amb2234526 [0,2,0,0,0,0|0,0,2]=4 1645 B15R1.23 CCOC(=O)CN(c1ccc(cc1)F)C Amb13976378 [0,2,0,0,0,0|1,0,1]=4 1646 B15R1.23 CCOC(=O)CS(=O)c1ccc(Br)cc1 Amb22900108 [0,2,0,0,0,0|1,0,1]=4 1647 B15R1.23 CCOC(=O)CS(=O)c1ccc(Cl)cc1 Amb20241411 [0,2,0,0,0,0|1,0,1]=4 1648 B15R1.23 CCOC(=O)CS(=O)c1ccc(F)cc1 Amb22900109 [0,2,0,0,0,0|1,0,1]=4 1649 B15R1.23 CCOC(=O)C[C@@H](N)c1ccc(Br)cc1 Amb19373102 [0,2,0,0,0,0|0,0,2]=4 1650 B15R1.23 CCOC(=O)C[C@@H](N)c1ccc(Br)cc1 Amb19375541 [0,2,0,0,0,0|0,0,2]=4 1651 B15R1.23 CCOC(=O)C[C@H](N)c1ccc(Br)cc1 Amb19149286 [0,2,0,0,0,0|0,0,2]=4 1652 B15R1.23 CCOC(=O)NC(=S)c1ccc(cc1)O Amb10559314 [0,2,0,0,0,0|1,0,0]=3 1653 B15R1.23 CCOC(=O)NC(C)c1ccc(Cl)cc1 Amb22285164 [0,2,0,0,0,0|1,0,1]=4 1654 B15R1.23 CCOC(=O)NC(C)c1ccc(F)cc1 Amb22265630 [0,2,0,0,0,0|1,0,1]=4 1655 B15R1.23 CCOC(=O)\C=C(/O)\c1ccc(Br)cc1 Amb22491295 [0,2,0,0,0,0|0,0,0]=2 1656 B15R1.23 CCOC(=O)\C=C(\c1ccc(cc1)Cl)/C Amb2427803 [0,2,0,0,0,0|0,0,0]=2 1657 B15R1.23 CCOC(=O)\C=C(\c1ccc(cc1)F)/C Amb2444581 [0,2,0,0,0,0|0,0,0]=2 1658 B15R1.23 Cc1ccc(cc1)S(=O)CC(=O)OCC Amb22900107 [0,2,0,0,0,0|1,0,1]=4 1659 B15R1.24 CCOC(=O)CC(=O)c1cc(F)[n]cc1 Amb22731247 [0,2,0,0,0,0|1,0,1]=4 1660 B15R1.24 CCOC(=O)CC(=O)c1cc(O)ccc1 Amb18656001 [0,2,0,0,0,0|0,0,1]=3 1661 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)N Amb17529761 [0,2,0,0,0,0|0,0,1]=3 1662 B15R1.24 CCOC(=O)CC(O)c1cc(Br)ccc1 Amb19374229 [0,2,0,0,0,0|0,0,2]=4 1663 B15R1.24 CCOC(=O)CC(c1cccc(c1)Br)N Amb1841589 [0,2,0,0,0,0|0,0,2]=4 1664 B15R1.24 CCOC(=O)CC(c1cccc(c1)Br)N Amb2234505 [0,2,0,0,0,0|0,0,2]=4 1665 B15R1.24 CCOC(=O)CC(c1cccc(c1)C)N Amb1842111 [0,2,0,0,0,0|0,0,2]=4 1666 B15R1.24 CCOC(=O)CC(c1cccc(c1)C)N Amb2234519 [0,2,0,0,0,0|0,0,2]=4 1667 B15R1.24 CCOC(=O)CC(c1cccc(c1)Cl)N Amb1838571 [0,2,0,0,0,0|0,0,2]=4 1668 B15R1.24 CCOC(=O)CC(c1cccc(c1)Cl)N Amb2234542 [0,2,0,0,0,0|0,0,2]=4 1669 B15R1.24 CCOC(=O)CC(c1cccc(c1)F)N Amb1839325 [0,2,0,0,0,0|0,0,2]=4 1670 B15R1.24 CCOC(=O)CC(c1cccc(c1)F)N Amb2234534 [0,2,0,0,0,0|0,0,2]=4 1671 B15R1.24 CCOC(=O)CC(c1cccc(c1)O)N Amb1080936 [0,2,0,0,0,0|0,0,2]=4 1672 B15R1.24 CCOC(=O)CC(c1cccc(c1)O)N Amb2234509 [0,2,0,0,0,0|0,0,2]=4 1673 B15R1.24 CCOC(=O)NC(C)c1cccc(Cl)c1 Amb22285165 [0,2,0,0,0,0|1,0,1]=4 1674 B15R1.24 CCOC(=O)NC(C)c1cccc(F)c1 Amb22285166 [0,2,0,0,0,0|1,0,1]=4 1675 B15R1.115 C=CCNC(=O)\C=C(\c1ccccc1)/C Amb16797052 [0,2,0,0,0,0|1,0,1]=4 1676 B15R1.115 CCCNC(=O)\C=C(\c1ccccc1)/C Amb16797049 [0,2,0,0,0,0|1,0,0]=3 1677 B15R1.115 CCONC(=O)CC(C)c1ccccc1 Amb21645573 [0,2,0,0,0,0|0,0,2]=4 1678 B15R1.578 CCOC(=O)C(=O)C(Br)c1ccccc1 Amb22755473 [0,2,0,0,0,0|0,0,1]=3 1679 B15R1.578 CCOC(=O)C(=O)C(Cl)c1ccccc1 Amb22755113 [0,2,0,0,0,0|0,0,1]=3 1680 B15R1.578 CCOC(=O)C(C(=O)c1ccccc1)C Amb10573089 [0,2,0,0,0,0|0,0,1]=3 1681 B15R1.578 CCOC(=O)C(C(=O)c1ccccn1)C Amb10573611 [0,2,0,0,0,0|1,0,1]=4 1682 B15R1.578 CCOC(=O)C(C(c1ccccc1)O)N Amb2228461 [0,2,0,0,0,0|0,0,2]=4 1683 B15R1.578 CCOC(=O)C(Cl)C(=O)c1ccccc1 Amb20247663 [0,2,0,0,0,0|0,0,1]=3 1684 B15R1.578 CCOC(=O)C(F)C(=O)c1ccccc1 Amb24065617 [0,2,0,0,0,0|0,0,1]=3 1685 B15R1.578 CCOC(=O)C(N)C(=O)c1c[n]ccc1 Amb24063826 [0,2,0,0,0,0|1,0,1]=4 1686 B15R1.578 CCOC(=O)[C@@H](C)C(=O)c1ccccc1 Amb24181939 [0,2,0,0,0,0|0,0,1]=3 1687 B15R1.578 CCOC(=O)[C@@H](O)[C@@H](N)c1ccccc1 Amb24181913 [0,2,0,0,0,0|0,0,2]=4 1688 B15R1.578 CCOC(=O)[C@@H](O)[C@H](N)c1ccccc1 Amb22748363 [0,2,0,0,0,0|0,0,2]=4 1689 B15R1.578 CCOC(=O)\[N+](=C(/c1ccccc1)\N)\[O-] Amb10553971 [0,2,0,0,0,0|1,0,0]=3 1690 B15R1.807 CCOC(=O)CC(C)(N)c1ccccc1 Amb23443928 [0,2,0,0,0,0|0,0,2]=4 1691 B15R1.807 CCOC(=O)CS(=O)(=O)c1ccccc1 Amb2408281 [0,2,0,0,0,0|1,0,1]=4 1692 B15R1.807 CCOC(=O)NS(=O)(=O)c1ccccc1 Amb10315 [0,2,0,0,0,0|2,0,0]=4 1693 B15R1.1076 CC(NC(=O)\C=C(\c1ccccc1)/C)C Amb16797050 [0,2,0,0,0,0|1,0,0]=3 1694 B15R1.1076 CC(OC(=O)\C=C(\c1ccccc1)/N)C Amb1792118 [0,2,0,0,0,0|0,0,0]=2 1695 B15R1.1076 CN(CC(=O)OC(C)C)c1ccccc1 Amb21540833 [0,2,0,0,0,0|1,0,1]=4 1696 B15R1.1076 NC(c1ccccc1)CC(=O)OC(C)C Amb1223231 [0,2,0,0,0,0|0,0,2]=4 1697 B15R1.1257 CCOC(=O)C=C(O[Tl])c1ccccc1 Amb22346228 [0,2,0,0,0,0|0,0,0]=2 1698 B15R1.1257 CC\C(=C\C(=O)OCC)\c1ccccc1 Amb10566528 [0,2,0,0,0,0|0,0,0]=2 1699 B15R1.1257 OCC(c1ccccc1)NC(=O)OCC Amb10807536 [0,2,0,0,0,0|1,0,1]=4 1700 B15R1.3722 CC(=CC(=O)NOC)c1ccccc1Cl Amb19470195 [0,2,0,0,0,0|2,0,0]=4 1701 B15R1.3722 CCOC(=O)CC(=O)c1[n]cccc1Br Amb23402731 [0,2,0,0,0,0|1,0,1]=4 1702 B15R1.3722 CCOC(=O)CC(=O)c1[n]cccc1Cl Amb23402733 [0,2,0,0,0,0|1,0,1]=4 1703 B15R1.3722 CCOC(=O)CC(=O)c1[n]cccc1F Amb23402728 [0,2,0,0,0,0|1,0,1]=4 1704 B15R1.3722 CCOC(=O)CC(=O)c1ccc[n]c1Cl Amb19890663 [0,2,0,0,0,0|1,0,1]=4 1705 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O Amb18656000 [0,2,0,0,0,0|0,0,1]=3 1706 B15R1.3722 CCOC(=O)CC(c1ccccc1Br)N Amb1838051 [0,2,0,0,0,0|0,0,2]=4 1707 B15R1.3722 CCOC(=O)CC(c1ccccc1Br)N Amb2234503 [0,2,0,0,0,0|0,0,2]=4 1708 B15R1.3722 CCOC(=O)CC(c1ccccc1C)N Amb1838922 [0,2,0,0,0,0|0,0,2]=4 1709 B15R1.3722 CCOC(=O)CC(c1ccccc1C)N Amb2234518 [0,2,0,0,0,0|0,0,2]=4 1710 B15R1.3722 CCOC(=O)CC(c1ccccc1Cl)N Amb1039538 [0,2,0,0,0,0|0,0,2]=4 1711 B15R1.3722 CCOC(=O)NC(C)c1ccccc1F Amb22285168 [0,2,0,0,0,0|1,0,1]=4 1712 B15R1.3722 Cc1ccccc1C(C)NC(=O)OCC Amb22285167 [0,2,0,0,0,0|1,0,1]=4 1713 B15R1.3722 Cc1ccccc1C(N)CC(=O)OCC Amb20623539 [0,2,0,0,0,0|0,0,2]=4 1714 B15R1.3722 Cc1ccccc1[C@@H](N)CC(=O)OCC Amb24271685 [0,2,0,0,0,0|0,0,2]=4 1715 B15R1.27 CCNC(=O)C=Cc1cccc(c1Cl)Cl Amb11217897 [0,2,0,0,0,0|1,0,0]=3 1716 B15R1.27 CCOC(=O)C#Cc1cccc(Br)c1F Amb25715091 [0,2,0,0,0,0|0,0,2]=4 1717 B15R1.27 CCOC(=O)CNc1cccc(Cl)c1N Amb22500186 [0,2,0,0,0,0|1,0,1]=4 1718 B15R1.27 CCOC(=O)\C=C/c1cncc(c1N)Br Amb10807975 [0,2,0,0,0,0|1,0,0]=3 1719 B15R1.27 CCOC(=O)\C=C\c1cncc(c1N)Br Amb10844702 [0,2,0,0,0,0|1,0,0]=3 1720 B15R1.27 Cc1cccc(C#CC(=O)OCC)c1C Amb24503626 [0,2,0,0,0,0|0,0,2]=4 1721 B15R1.49 CC(Oc1cccc(N)c1)C(=O)OCC Amb23003534 [0,2,0,0,0,0|1,0,1]=4 1722 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)C Amb1796781 [0,2,0,0,0,0|2,0,0]=4 1723 B15R1.49 CCNC(=O)C(=O)Nc1cccc(c1)Cl Amb1798457 [0,2,0,0,0,0|2,0,0]=4 1724 B15R1.49 CCOC(=O)C(=O)Nc1c[n]cc(Br)c1 Amb24523570 [0,2,0,0,0,0|2,0,0]=4 1725 B15R1.49 CCOC(=O)C(=O)Nc1cccc(I)c1 Amb24702736 [0,2,0,0,0,0|1,0,0]=3 1726 B15R1.49 CCOC(=O)N(C)Cc1cccc(Cl)c1 Amb22265628 [0,2,0,0,0,0|1,0,1]=4 1727 B15R1.49 CCOC(=O)N(C)Cc1cccc(F)c1 Amb22265629 [0,2,0,0,0,0|1,0,1]=4 1728 B15R1.49 CCOC(=O)\C(\Cl)=C\c1cc(Cl)ccc1 Amb23538426 [0,2,0,0,0,0|0,0,0]=2 1729 B15R1.49 CCOC(=O)\C(\Cl)=C\c1cccc(F)c1 Amb23538422 [0,2,0,0,0,0|0,0,0]=2 1730 B15R1.49 Cc1c[n]cc(c1)NC(=O)C(=O)OCC Amb24756347 [0,2,0,0,0,0|2,0,0]=4 1731 B15R1.49 Cc1cc(cc[n]1)NC(=O)C(=O)OCC Amb24623223 [0,2,0,0,0,0|2,0,0]=4 1732 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl Amb11229967 [0,2,0,0,0,0|1,0,1]=4 1733 B15R1.127 C=CCNC(=O)C=Cc1cccc(Br)c1 Amb22265979 [0,2,0,0,0,0|1,0,1]=4 1734 B15R1.127 C=CCNC(=O)\C=C\c1cccc(c1)N Amb17139869 [0,2,0,0,0,0|1,0,1]=4 1735 B15R1.127 CCCNC(=O)C=Cc1cc(F)ccc1 Amb22269171 [0,2,0,0,0,0|1,0,0]=3 1736 B15R1.127 CCCNC(=O)\C=C\c1cccc(c1)N Amb17139962 [0,2,0,0,0,0|1,0,0]=3 1737 B15R1.127 CCCOC(=O)COc1cccc(N)c1 Amb23003482 [0,2,0,0,0,0|1,0,1]=4 1738 B15R1.127 CCCOC(=O)\C=C\c1cc(O)ccc1 Amb22433226 [0,2,0,0,0,0|0,0,0]=2 1739 B15R1.127 CCONC(=O)CCc1cccc(Cl)c1 Amb20813751 [0,2,0,0,0,0|0,0,2]=4 1740 B15R1.127 CCONC(=O)CCc1cccc(F)c1 Amb20892791 [0,2,0,0,0,0|0,0,2]=4 1741 B15R1.127 Cc1cc(C=CC(=O)NCC=C)ccc1 Amb21128854 [0,2,0,0,0,0|1,0,1]=4 1742 B15R1.127 Cc1cc(C=CC(=O)NCCC)ccc1 Amb20694766 [0,2,0,0,0,0|1,0,0]=3 1743 B15R1.127 Cc1cc(CCC(=O)NOCC)ccc1 Amb20892790 [0,2,0,0,0,0|0,0,2]=4 1744 B15R1.127 Cc1cc(CNC(=O)COCC)ccc1 Amb21807372 [0,2,0,0,0,0|1,0,1]=4 1745 B15R1.1002 CN(CC)C(=O)C=Cc1cccc(Cl)c1 Amb20960974 [0,2,0,0,0,0|1,0,0]=3 1746 B15R1.1002 CN(CC)C(=O)C=Cc1cccc(F)c1 Amb20960971 [0,2,0,0,0,0|1,0,0]=3 1747 B15R1.1002 CN(OC)C(=O)C=Cc1cccc(Br)c1 Amb22288992 [0,2,0,0,0,0|2,0,0]=4 1748 B15R1.1002 CN(OC)C(=O)C=Cc1cccc(Cl)c1 Amb21131457 [0,2,0,0,0,0|2,0,0]=4 1749 B15R1.1002 CN(OC)C(=O)C=Cc1cccc(F)c1 Amb21131486 [0,2,0,0,0,0|2,0,0]=4 1750 B15R1.1002 COC(=O)C(=O)\C=C\c1cccc(Br)c1 Amb21858951 [0,2,0,0,0,0|2,0,0]=4 1751 B15R1.1002 COC(=O)C(=O)\C=C\c1cccc(Cl)c1 Amb22584292 [0,2,0,0,0,0|2,0,0]=4 1752 B15R1.1002 Cc1cc(C=CC(=O)N(C)CC)ccc1 Amb20961052 [0,2,0,0,0,0|1,0,0]=3 1753 B15R1.1002 Cc1cc(C=CC(=O)N(C)OC)ccc1 Amb21431653 [0,2,0,0,0,0|2,0,0]=4 1754 B15R1.3858 CCNC(=O)C=Cc1cc(Cl)ccc1Cl Amb11261530 [0,2,0,0,0,0|1,0,0]=3 1755 B15R1.3858 CCOC(=O)C#Cc1cc(Cl)ccc1Cl Amb24459962 [0,2,0,0,0,0|0,0,2]=4 1756 B15R1.3858 CCOC(=O)C#Cc1cc(F)ccc1F Amb25790886 [0,2,0,0,0,0|0,0,2]=4 1757 B15R1.3858 CCOC(=O)C=Cc1cc(F)ccc1F Amb24095215 [0,2,0,0,0,0|0,0,0]=2 1758 B15R1.3858 CCOC(=O)C=Cc1cc(O)ccc1O Amb24066421 [0,2,0,0,0,0|0,0,0]=2 1759 B15R1.3858 CCOC(=O)CCc1cc(F)ccc1Br Amb22499000 [0,2,0,0,0,0|0,0,2]=4 1760 B15R1.3858 CCOC(=O)CCc1cc(N)ccc1O Amb10559385 [0,2,0,0,0,0|0,0,2]=4 1761 B15R1.3858 CCOC(=O)\C=C\c1cc(F)ccc1O Amb22233770 [0,2,0,0,0,0|0,0,0]=2 1762 B15R1.3858 Cc1cc(C#CC(=O)OCC)c(C)cc1 Amb25710320 [0,2,0,0,0,0|0,0,2]=4 1763 B15R1.3858 Cc1ccc(F)cc1C#CC(=O)OCC Amb25341087 [0,2,0,0,0,0|0,0,2]=4 1764 B15R1.8263 CC(C)NC(=O)\C=C\c1cccc(F)c1 Amb20692431 [0,2,0,0,0,0|1,0,0]=3 1765 B15R1.8263 CC(C)OC(=O)C=Cc1cccc(Cl)c1 Amb22266182 [0,2,0,0,0,0|0,0,0]=2 1766 B15R1.8263 CC(C)OC(=O)CCc1cccc(Br)c1 Amb22266205 [0,2,0,0,0,0|0,0,2]=4 1767 B15R1.8263 CC(C)OC(=O)COc1cc(I)ccc1 Amb20891570 [0,2,0,0,0,0|1,0,1]=4 1768 B15R1.8263 CC(C)OC(=O)COc1cc(N)ccc1 Amb23003490 [0,2,0,0,0,0|1,0,1]=4 1769 B15R1.8263 CC(C)OC(=O)NCc1cccc(Cl)c1 Amb22474173 [0,2,0,0,0,0|1,0,1]=4 1770 B15R1.8263 CC(C)OC(=O)\C=C\c1cccc(Br)c1 Amb23504995 [0,2,0,0,0,0|0,0,0]=2 1771 B15R1.8263 CC(C)OC(=O)\C=C\c1cccc(Cl)c1 Amb23504716 [0,2,0,0,0,0|0,0,0]=2 1772 B15R1.8263 CC(C)OC(=O)\C=C\c1cccc(F)c1 Amb23505000 [0,2,0,0,0,0|0,0,0]=2 1773 B15R1.8263 CC(NC(=O)\C=C\c1cccc(c1)N)C Amb17139963 [0,2,0,0,0,0|1,0,0]=3 1774 B15R1.8263 Cc1cc(C=CC(=O)NC(C)C)ccc1 Amb22266159 [0,2,0,0,0,0|1,0,0]=3 1775 B15R1.8263 Cc1cc(ccc1)OCC(=O)OC(C)C Amb22266213 [0,2,0,0,0,0|1,0,1]=4 1776 B15R1.9720 CCOC(=O)C#Cc1cc(C)cc(C)c1 Amb25720301 [0,2,0,0,0,0|0,0,2]=4 1777 B15R1.9720 CCOC(=O)C#Cc1cc(F)cc(F)c1 Amb25244459 [0,2,0,0,0,0|0,0,2]=4 1778 B15R1.9720 CCOC(=O)CCc1cc(F)cc(F)c1 Amb24094064 [0,2,0,0,0,0|0,0,2]=4 1779 B15R1.9720 Cc1cc(F)cc(c1)C#CC(=O)OCC Amb24702350 [0,2,0,0,0,0|0,0,2]=4 1780 B15R1.10389 CCNC(=O)C=Cc1cccc(c1)OC Amb11220424 [0,2,0,0,0,0|1,0,0]=3 1781 B15R1.10389 CCOC(=O)C#Cc1cc(CC)ccc1 Amb24376322 [0,2,0,0,0,0|0,0,2]=4 1782 B15R1.10389 CCOC(=O)C#Cc1cc(ccc1)C#N Amb24394133 [0,2,0,0,0,0|0,0,2]=4 1783 B15R1.10389 CCOC(=O)CCc1cc(ccc1)C=O Amb24073738 [0,2,0,0,0,0|0,0,2]=4 1784 B15R1.10389 CCOC(=O)CCc1cccc(CN)c1 Amb24073739 [0,2,0,0,0,0|0,0,2]=4 1785 B15R1.10389 CCOC(=O)CCc1cccc(c1)C#N Amb22002339 [0,2,0,0,0,0|0,0,2]=4 1786 B15R1.10389 CCOC(=O)CNc1cccc(c1)OC Amb1566487 [0,2,0,0,0,0|1,0,1]=4 1787 B15R1.10389 CCOC(=O)\C=C\c1cc(ccc1)C#N Amb18653512 [0,2,0,0,0,0|0,0,0]=2 1788 B15R1.10389 COc1cc(CCC(=O)OCC)ccc1 Amb22002341 [0,2,0,0,0,0|0,0,2]=4 1789 B15R1.10389 COc1cc(ccc1)C#CC(=O)OCC Amb24063547 [0,2,0,0,0,0|0,0,2]=4 1790 B15R1.10390 CCNC(=O)C=Cc1ccc(F)c(Cl)c1 Amb22285012 [0,2,0,0,0,0|1,0,0]=3 1791 B15R1.10390 CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl Amb11217801 [0,2,0,0,0,0|1,0,0]=3 1792 B15R1.10390 CCNC(=O)\C=C\c1ccc(c(c1)Cl)Cl Amb2308162 [0,2,0,0,0,0|1,0,0]=3 1793 B15R1.10390 CCNC(=O)\C=C\c1ccc(c(c1)N)C Amb17139964 [0,2,0,0,0,0|1,0,0]=3 1794 B15R1.10390 CCNC(=O)\C=C\c1ccc(c(c1)N)Cl Amb17141980 [0,2,0,0,0,0|1,0,0]=3 1795 B15R1.10390 CCNC(=O)\C=C\c1ccc(c(c1)N)F Amb17140272 [0,2,0,0,0,0|1,0,0]=3 1796 B15R1.10390 CCOC(=O)C#Cc1cc(Cl)c(Cl)cc1 Amb24503596 [0,2,0,0,0,0|0,0,2]=4 1797 B15R1.10390 CCOC(=O)C#Cc1cc(F)c(F)cc1 Amb24659812 [0,2,0,0,0,0|0,0,2]=4 1798 B15R1.10390 CCOC(=O)CCc1cc(F)c(F)cc1 Amb24094053 [0,2,0,0,0,0|0,0,2]=4 1799 B15R1.10390 CCOC(=O)CNc1ccc(c(c1)Cl)Cl Amb2444505 [0,2,0,0,0,0|1,0,1]=4 1800 B15R1.10390 CCOC(=O)NNc1cc(Cl)c(Cl)cc1 Amb24325027 [0,2,0,0,0,0|2,0,0]=4 1801 B15R1.10390 CCOC(=O)\C=C/c1ccc(c(c1)O)O Amb10807860 [0,2,0,0,0,0|0,0,0]=2 1802 B15R1.10390 Cc1cc(ccc1F)C#CC(=O)OCC Amb24503611 [0,2,0,0,0,0|0,0,2]=4 1803 B15R1.10390 Cc1cc(ccc1N)OCC(=O)OCC Amb24092474 [0,2,0,0,0,0|1,0,1]=4 1804 B15R1.10390 Cc1ccc(C=CC(=O)NCC)cc1Cl Amb20689158 [0,2,0,0,0,0|1,0,0]=3 1805 B15R1.10390 Cc1ccc(cc1Cl)C#CC(=O)OCC Amb25219892 [0,2,0,0,0,0|0,0,2]=4 1806 B15R1.10390 Cc1ccc(cc1Cl)OCC(=O)OCC Amb22470161 [0,2,0,0,0,0|1,0,1]=4 1807 B15R1.10390 Cc1ccc(cc1F)C#CC(=O)OCC Amb24402405 [0,2,0,0,0,0|0,0,2]=4 1808 B15R1.48 CC(Oc1ccc(O)cc1)C(=O)OCC Amb18656776 [0,2,0,0,0,0|1,0,1]=4 1809 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)C Amb1807059 [0,2,0,0,0,0|2,0,0]=4 1810 B15R1.48 CCNC(=O)C(=O)Nc1ccc(cc1)Cl Amb1857552 [0,2,0,0,0,0|2,0,0]=4 1811 B15R1.48 CCOC(=O)C(=C)Cc1ccc(Br)cc1 Amb21962853 [0,2,0,0,0,0|0,0,1]=3 1812 B15R1.48 CCOC(=O)C(=O)Nc1ccc(Cl)c[n]1 Amb22898851 [0,2,0,0,0,0|2,0,0]=4 1813 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)Br Amb1934338 [0,2,0,0,0,0|1,0,0]=3 1814 B15R1.48 CCOC(=O)C(=O)Nc1ccc(cc1)N Amb17613938 [0,2,0,0,0,0|1,0,0]=3 1815 B15R1.48 CCOC(=O)C(C)Cc1ccc(N)cc1 Amb22497560 [0,2,0,0,0,0|0,0,2]=4 1816 B15R1.48 CCOC(=O)C(Cl)Cc1ccc(Br)cc1 Amb23569633 [0,2,0,0,0,0|0,0,2]=4 1817 B15R1.48 CCOC(=O)C(N)Cc1ccc(O)cc1 Amb20247288 [0,2,0,0,0,0|0,0,2]=4 1818 B15R1.48 CCOC(=O)C(N)Cc1ccc(O)cc1 Amb22492786 [0,2,0,0,0,0|0,0,2]=4 1819 B15R1.48 CCOC(=O)C(O)Cc1ccc(O)cc1 Amb22407109 [0,2,0,0,0,0|0,0,2]=4 1820 B15R1.48 CCOC(=O)C(Oc1ccc(cc1)I)C Amb1945700 [0,2,0,0,0,0|1,0,1]=4 1821 B15R1.48 CCOC(=O)C([NH3+])Cc1ccc(Cl)cc1 Amb24113875 [0,2,0,0,0,0|0,0,2]=4 1822 B15R1.48 CCOC(=O)N(C)Cc1ccc(F)cc1 Amb22285152 [0,2,0,0,0,0|1,0,1]=4 1823 B15R1.48 CCOC(=O)[C@@H](N)Cc1ccc(Cl)cc1 Amb22232437 [0,2,0,0,0,0|0,0,2]=4 1824 B15R1.48 CCOC(=O)[C@@H](N)Cc1ccc(F)cc1 Amb22799880 [0,2,0,0,0,0|0,0,2]=4 1825 B15R1.48 CCOC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 Amb24113834 [0,2,0,0,0,0|0,0,2]=4 1826 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)F)N Amb16183972 [0,2,0,0,0,0|0,0,2]=4 1827 B15R1.48 CCOC(=O)[C@H](Oc1ccc(cc1)O)C Amb15690580 [0,2,0,0,0,0|1,0,1]=4 1828 B15R1.48 CCOC(=O)\C(\Cl)=C\c1ccc(Cl)cc1 Amb23538427 [0,2,0,0,0,0|0,0,0]=2 1829 B15R1.48 CCOC(=O)\C(\Cl)=C\c1ccc(F)cc1 Amb23538423 [0,2,0,0,0,0|0,0,0]=2 1830 B15R1.48 Cc1ccc(\C=C(/Cl)\C(=O)OCC)cc1 Amb23538416 [0,2,0,0,0,0|0,0,0]=2 1831 B15R1.48 Cc1ccc(c[n]1)NC(=O)C(=O)OCC Amb24676199 [0,2,0,0,0,0|2,0,0]=4 1832 B15R1.496 CC(C)OC(=O)C(N)Cc1ccccc1 Amb22741100 [0,2,0,0,0,0|0,0,2]=4 1833 B15R1.496 CC(NC(=O)C(=O)Cc1ccccc1)C Amb17403033 [0,2,0,0,0,0|1,0,1]=4 1834 B15R1.496 CC(NC(=O)C(=O)Nc1ccccc1)C Amb1859445 [0,2,0,0,0,0|2,0,0]=4 1835 B15R1.496 CC(OC(=O)C(=O)Nc1ccccc1)C Amb1196009 [0,2,0,0,0,0|1,0,0]=3 1836 B15R1.551 C=CCNC(=O)\C(=C\c1ccccc1)\C Amb16799064 [0,2,0,0,0,0|1,0,1]=4 1837 B15R1.551 CC(Oc1ccccc1)C(=O)NOCC Amb20892768 [0,2,0,0,0,0|1,0,1]=4 1838 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 Amb10559246 [0,2,0,0,0,0|2,0,0]=4 1839 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 Amb1548767 [0,2,0,0,0,0|2,0,0]=4 1840 B15R1.551 CCCNC(=O)\C(=C\c1ccccc1)\C Amb1853628 [0,2,0,0,0,0|1,0,0]=3 1841 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 Amb22269212 [0,2,0,0,0,0|1,0,1]=4 1842 B15R1.551 CCONC(=O)C(Sc1ccccc1)C Amb10694407 [0,2,0,0,0,0|1,0,1]=4 1843 B15R1.551 CN(Cc1ccccc1)C(=O)OCCO Amb25141133 [0,2,0,0,0,0|1,0,1]=4 1844 B15R1.551 CSCOC(=O)C(C)Oc1ccccc1 Amb22476711 [0,2,0,0,0,0|1,0,1]=4 1845 B15R1.551 OCCNC(=O)C(=O)Nc1ccccc1 Amb1813199 [0,2,0,0,0,0|2,0,0]=4 1846 B15R1.640 CCOC(=O)C(=Cc1c[n]ccc1)C#N Amb24077182 [0,2,0,0,0,0|1,0,0]=3 1847 B15R1.640 CCOC(=O)C(=Cc1cc[n]cc1)C#N Amb24077183 [0,2,0,0,0,0|1,0,0]=3 1848 B15R1.640 CCOC(=O)C(Cc1ccccc1)C=O Amb23441824 [0,2,0,0,0,0|0,0,2]=4 1849 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC Amb19287768 [0,2,0,0,0,0|0,0,2]=4 1850 B15R1.640 CCOC(=O)C(Cc1ccccc1)NC Amb22058808 [0,2,0,0,0,0|0,0,2]=4 1851 B15R1.640 NCC(C(=O)OCC)Cc1ccccc1 Amb13951247 [0,2,0,0,0,0|0,0,2]=4 1852 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1C Amb1859443 [0,2,0,0,0,0|2,0,0]=4 1853 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1Cl Amb1859444 [0,2,0,0,0,0|2,0,0]=4 1854 B15R1.3960 CCNC(=O)C(=O)Nc1ccccc1F Amb1932511 [0,2,0,0,0,0|2,0,0]=4 1855 B15R1.3960 CCOC(=O)C(=O)Nc1cc[n]cc1Br Amb24676848 [0,2,0,0,0,0|2,0,0]=4 1856 B15R1.3960 CCOC(=O)C(=O)Nc1cc[n]cc1F Amb25171775 [0,2,0,0,0,0|2,0,0]=4 1857 B15R1.3960 CCOC(=O)C(=O)Nc1ccccc1N Amb19016118 [0,2,0,0,0,0|1,0,0]=3 1858 B15R1.3960 CCOC(=O)C(=O)Nc1cccnc1Cl Amb10585713 [0,2,0,0,0,0|2,0,0]=4 1859 B15R1.3960 CCOC(=O)C(Cc1ccccc1F)N Amb2234848 [0,2,0,0,0,0|0,0,2]=4 1860 B15R1.3960 CCOC(=O)C(Cc1ccccc1F)N Amb2236938 [0,2,0,0,0,0|0,0,2]=4 1861 B15R1.3960 CCOC(=O)C(Oc1ccccc1Br)C Amb1945538 [0,2,0,0,0,0|1,0,1]=4 1862 B15R1.3960 CCOC(=O)N(C)Cc1ccccc1Cl Amb22265625 [0,2,0,0,0,0|1,0,1]=4 1863 B15R1.3960 CCOC(=O)N(C)Cc1ccccc1F Amb22265626 [0,2,0,0,0,0|1,0,1]=4 1864 B15R1.3960 CCOC(=O)N(O)Cc1ccccc1Cl Amb22462629 [0,2,0,0,0,0|1,0,1]=4 1865 B15R1.3960 CCOC(=O)\C(\Cl)=C\c1ccccc1Cl Amb23538425 [0,2,0,0,0,0|0,0,0]=2 1866 B15R1.3960 CCOC(=O)\C(\Cl)=C\c1ccccc1F Amb23538421 [0,2,0,0,0,0|0,0,0]=2 1867 B15R1.3960 C[C@@H](Oc1ccccc1I)C(=O)OCC Amb22746601 [0,2,0,0,0,0|1,0,1]=4 1868 B15R1.3960 Cc1ccccc1CN(C)C(=O)OCC Amb22265634 [0,2,0,0,0,0|1,0,1]=4 1869 B15R1.10540 CCOC(=O)C(C)(N)Cc1ccccc1 Amb19317151 [0,2,0,0,0,0|0,0,2]=4 1870 B15R1.10540 CCOC(=O)C(Cc1ccccc1)(C)C Amb17614030 [0,2,0,0,0,0|0,0,2]=4 1871 B15R1.10540 CCOC(=O)C(Cc1ccccc1)(O)C Amb10067059 [0,2,0,0,0,0|0,0,2]=4 1872 B15R1.10540 CCOC(=O)C(F)(F)Sc1ccccc1 Amb23538482 [0,2,0,0,0,0|1,0,1]=4 1873 B15R1.10540 CCOC(=O)[C@](Cc1ccccc1)(O)C Amb10067064 [0,2,0,0,0,0|0,0,2]=4 1874 B15R1.78 C#CCCNC(=O)\C=C\c1ccccc1 Amb21942377 [0,2,0,0,0,0|1,0,0]=3 1875 B15R1.78 CC=CCOC(=O)C=Cc1ccccc1 Amb21195575 [0,2,0,0,0,0|0,0,0]=2 1876 B15R1.78 CCCCNC(=O)C=Cc1ccc[n]c1 Amb20911325 [0,2,0,0,0,0|2,0,0]=4 1877 B15R1.78 CCCCOC(=O)COc1ccccc1 Amb22269146 [0,2,0,0,0,0|1,0,1]=4 1878 B15R1.78 CCCCOC(=O)OCc1ccccc1 Amb25030436 [0,2,0,0,0,0|1,0,1]=4 1879 B15R1.78 CCCOCC(=O)NCc1ccccc1 Amb12781055 [0,2,0,0,0,0|1,0,1]=4 1880 B15R1.78 CCCONC(=O)OCc1ccccc1 Amb25110682 [0,2,0,0,0,0|1,0,1]=4 1881 B15R1.78 O=C(NCc1ccccc1)OCCCCl Amb24758392 [0,2,0,0,0,0|1,0,1]=4 1882 B15R1.78 O=C(NOCCF)OCc1ccccc1 Amb22897052 [0,2,0,0,0,0|1,0,1]=4 1883 B15R1.139 Brc1ccc(cc1)/C=C/C(=O)NCC=C Amb17792612 [0,2,0,0,0,0|1,0,1]=4 1884 B15R1.139 C#CCNC(=O)\C=C\c1ccc(cc1)Cl Amb11229948 [0,2,0,0,0,0|1,0,1]=4 1885 B15R1.139 C#CCOC(=O)C=Cc1ccc(F)cc1 Amb21525234 [0,2,0,0,0,0|0,0,1]=3 1886 B15R1.139 CCCNC(=O)/C=C/c1ccc(Br)cc1 Amb17860747 [0,2,0,0,0,0|1,0,0]=3 1887 B15R1.139 CCCOC(=O)C=Cc1ccc(Cl)cc1 Amb22269215 [0,2,0,0,0,0|0,0,0]=2 1888 B15R1.139 CCCOC(=O)CSc1ccc(Br)cc1 Amb22284901 [0,2,0,0,0,0|1,0,1]=4 1889 B15R1.139 CCCOC(=O)NCc1ccc(Cl)cc1 Amb22474180 [0,2,0,0,0,0|1,0,1]=4 1890 B15R1.139 CCOCC(=O)NCc1ccc(F)cc1 Amb20694270 [0,2,0,0,0,0|1,0,1]=4 1891 B15R1.139 CCONC(=O)CCc1ccc(F)cc1 Amb20813709 [0,2,0,0,0,0|0,0,2]=4 1892 B15R1.139 CCONC(=O)CCc1ccc(cc1)Cl Amb10705058 [0,2,0,0,0,0|0,0,2]=4 1893 B15R1.139 CCONC(=O)COc1ccc(Cl)cc1 Amb21545338 [0,2,0,0,0,0|1,0,1]=4 1894 B15R1.139 CCONC(=O)COc1ccc(F)cc1 Amb21645578 [0,2,0,0,0,0|1,0,1]=4 1895 B15R1.139 CCONC(=O)COc1ccc(cc1)Br Amb143949 [0,2,0,0,0,0|1,0,1]=4 1896 B15R1.139 CCONC(=O)COc1ccc(cc1)I Amb11261093 [0,2,0,0,0,0|1,0,1]=4 1897 B15R1.139 CCONC(=O)CSc1ccc(F)cc1 Amb20813677 [0,2,0,0,0,0|1,0,1]=4 1898 B15R1.139 Cc1ccc(CCC(=O)NOCC)cc1 Amb20892788 [0,2,0,0,0,0|0,0,2]=4 1899 B15R1.139 Cc1ccc(cc1)OCC(=O)OCCC Amb22269222 [0,2,0,0,0,0|1,0,1]=4 1900 B15R1.139 Cc1ccc(cc1)SCC(=O)NOCC Amb21423890 [0,2,0,0,0,0|1,0,1]=4 1901 B15R1.139 Cc1ccc(cc1)\C=C\C(=O)NCCN Amb18619939 [0,2,0,0,0,0|1,0,0]=3 1902 B15R1.139 N#CCNC(=O)\C=C\c1ccc(cc1)Cl Amb1924358 [0,2,0,0,0,0|1,0,1]=4 1903 B15R1.139 Nc1ccc(cc1)OCC(=O)OCCO Amb22233287 [0,2,0,0,0,0|1,0,1]=4 1904 B15R1.139 O=C(COc1ccc(Cl)cc1)OCCCl Amb24065570 [0,2,0,0,0,0|1,0,1]=4 1905 B15R1.139 OCCNC(=O)\C=C/c1ccc(Cl)cc1 Amb23504478 [0,2,0,0,0,0|1,0,0]=3 1906 B15R1.741 CC(C=C)OC(=O)NCc1ccccc1 Amb25142069 [0,2,0,0,0,0|1,0,1]=4 1907 B15R1.741 CC(CBr)OC(=O)NCc1ccccc1 Amb24757511 [0,2,0,0,0,0|1,0,1]=4 1908 B15R1.741 CC(CCl)OC(=O)NCc1ccccc1 Amb24341007 [0,2,0,0,0,0|1,0,1]=4 1909 B15R1.741 CC(CO)OC(=O)NCc1ccccc1 Amb25770126 [0,2,0,0,0,0|1,0,1]=4 1910 B15R1.741 CCC(C)NC(=O)C=Cc1ccc[n]c1 Amb20911038 [0,2,0,0,0,0|2,0,0]=4 1911 B15R1.741 CCC(NC(=O)\C=C\c1ccccc1)C Amb10767561 [0,2,0,0,0,0|1,0,0]=3 1912 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F Amb11229884 [0,2,0,0,0,0|1,0,1]=4 1913 B15R1.1208 C#CCNC(=O)\C=C\c1ccccc1Cl Amb11229979 [0,2,0,0,0,0|1,0,1]=4 1914 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F Amb21128848 [0,2,0,0,0,0|1,0,1]=4 1915 B15R1.1208 C=CCNC(=O)\C=C\c1ccccc1Cl Amb2456479 [0,2,0,0,0,0|1,0,1]=4 1916 B15R1.1208 CCCOC(=O)COc1ccccc1F Amb22284900 [0,2,0,0,0,0|1,0,1]=4 1917 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl Amb22284902 [0,2,0,0,0,0|1,0,1]=4 1918 B15R1.1208 CCONC(=O)CCc1ccccc1Cl Amb10628962 [0,2,0,0,0,0|0,0,2]=4 1919 B15R1.1208 CCONC(=O)CCc1ccccc1F Amb20813702 [0,2,0,0,0,0|0,0,2]=4 1920 B15R1.1208 CCONC(=O)CCc1ccccc1O Amb20892783 [0,2,0,0,0,0|0,0,2]=4 1921 B15R1.1208 CCONC(=O)COc1ccccc1Cl Amb20866237 [0,2,0,0,0,0|1,0,1]=4 1922 B15R1.1208 CCONC(=O)COc1ccccc1F Amb20866229 [0,2,0,0,0,0|1,0,1]=4 1923 B15R1.1208 Cc1ccccc1C=CC(=O)NCCC Amb22269172 [0,2,0,0,0,0|1,0,0]=3 1924 B15R1.1208 Cc1ccccc1OCC(=O)OCCC Amb22284898 [0,2,0,0,0,0|1,0,1]=4 1925 B15R1.1208 OCCNC(=O)\C=C\c1ccccc1Cl Amb2000314 [0,2,0,0,0,0|1,0,0]=3 1926 B15R1.1208 OCCOC(=O)COc1ccccc1O Amb1199349 [0,2,0,0,0,0|1,0,1]=4 1927 B15R1.5919 CC(C)CNC(=O)C=Cc1ccc[n]c1 Amb20911624 [0,2,0,0,0,0|2,0,0]=4 1928 B15R1.5919 CC(C)COC(=O)COc1ccccc1 Amb22732187 [0,2,0,0,0,0|1,0,1]=4 1929 B15R1.5919 CC(C)OCC(=O)C#Cc1ccccc1 Amb24391067 [0,2,0,0,0,0|0,0,2]=4 1930 B15R1.5919 CC(C)ONC(=O)OCc1ccccc1 Amb25286460 [0,2,0,0,0,0|1,0,1]=4 1931 B15R1.5919 CC(OCC(=O)NCc1ccccc1)C Amb12264978 [0,2,0,0,0,0|1,0,1]=4 1932 B15R1.5919 CN(C)CCC(=O)\C=C\c1ccccc1 Amb22269286 [0,2,0,0,0,0|1,0,0]=3 1933 B15R1.5919 CN(\C=C\C(=O)\C=C\c1ccccc1)C Amb2386553 [0,2,0,0,0,0|1,0,1]=4 1934 B15R1.5919 CN(\C=N\C(=O)\C=C\c1ccccc1)C Amb2439281 [0,2,0,0,0,0|1,0,1]=4 1935 B15R1.5919 O=C(\C=C/c1ccccc1)NCC(=O)O Amb16481031 [0,2,0,0,0,0|1,0,1]=4 1936 B15R1.5919 O=C(\C=C\c1ccccc1)CCC(=O)O Amb2406416 [0,2,0,0,0,0|1,0,1]=4 1937 B15R1.5919 O=C(\C=C\c1ccccc1)NCC(=O)O Amb1206359 [0,2,0,0,0,0|1,0,1]=4 1938 B15R1.5919 O=C(\C=C\c1ccccc1)OCC(=O)N Amb1673092 [0,2,0,0,0,0|0,0,1]=3 1939 B15R1.5934 CCCNS(=O)(=O)\C=C\c1ccccc1 Amb18861 [0,2,0,0,0,0|2,0,0]=4 1940 B15R1.791 CCNC(=O)C=Cc1ccc(cc1Cl)Cl Amb11217841 [0,2,0,0,0,0|1,0,0]=3 1941 B15R1.791 CCNC(=O)\C=C\c1ccc(Cl)cc1Cl Amb19850324 [0,2,0,0,0,0|1,0,0]=3 1942 B15R1.791 CCOC(=O)/C=C/c1ccc(Cl)cc1Cl Amb17844467 [0,2,0,0,0,0|0,0,0]=2 1943 B15R1.791 CCOC(=O)C#Cc1ccc(Cl)cc1Cl Amb25700658 [0,2,0,0,0,0|0,0,2]=4 1944 B15R1.791 CCOC(=O)C=Cc1ccc(F)cc1F Amb24089400 [0,2,0,0,0,0|0,0,0]=2 1945 B15R1.791 CCOC(=O)CCc1ccc(F)cc1Cl Amb24090121 [0,2,0,0,0,0|0,0,2]=4 1946 B15R1.791 CCOC(=O)CCc1ccc(N)cc1F Amb22301504 [0,2,0,0,0,0|0,0,2]=4 1947 B15R1.791 CCOC(=O)CCc1ccc(O)cc1F Amb22749471 [0,2,0,0,0,0|0,0,2]=4 1948 B15R1.791 CCOC(=O)\C=C\C1=CNC(=O)NC1=O Amb21867122 [0,2,0,0,0,0|2,0,0]=4 1949 B15R1.791 CCOC(=O)\C=C\c1ccc(Cl)cc1N Amb21864581 [0,2,0,0,0,0|0,0,0]=2 1950 B15R1.791 CCOC(=O)\C=C\c1ccc(Cl)cc1N Amb22499047 [0,2,0,0,0,0|0,0,0]=2 1951 B15R1.791 CCOC(=O)\C=C\c1ccc(F)cc1Br Amb24181896 [0,2,0,0,0,0|0,0,0]=2 1952 B15R1.791 CCOC(=O)\C=C\c1ccc(O)cc1F Amb22886993 [0,2,0,0,0,0|0,0,0]=2 1953 B15R1.791 Cc1cc(Br)ccc1OCC(=O)OCC Amb24092476 [0,2,0,0,0,0|1,0,1]=4 1954 B15R1.791 Cc1cc(Br)ccc1SCC(=O)OCC Amb22285148 [0,2,0,0,0,0|1,0,1]=4 1955 B15R1.791 Cc1cc(Br)ccc1\C=C\C(=O)OCC Amb23538448 [0,2,0,0,0,0|0,0,0]=2 1956 B15R1.791 Cc1cc(C)ccc1C=CC(=O)NCC Amb21192226 [0,2,0,0,0,0|1,0,0]=3 1957 B15R1.791 Cc1cc(I)ccc1OCC(=O)OCC Amb22285147 [0,2,0,0,0,0|1,0,1]=4 1958 B15R1.791 Cc1cc(N)ccc1OCC(=O)OCC Amb24103486 [0,2,0,0,0,0|1,0,1]=4 1959 B15R1.791 Cc1cc(O)ccc1CCC(=O)OCC Amb22232483 [0,2,0,0,0,0|0,0,2]=4 1960 B15R1.791 Cc1ccc(C=CC(=O)NCC)c(Br)c1 Amb22288974 [0,2,0,0,0,0|1,0,0]=3 1961 B15R1.791 Cc1ccc(\C=C\C(=O)OCC)c(Br)c1 Amb23538449 [0,2,0,0,0,0|0,0,0]=2 1962 B15R1.793 CCNC(=O)\C=C\c1ccc(cc1)OC Amb1853961 [0,2,0,0,0,0|1,0,0]=3 1963 B15R1.793 CCOC(=O)C=Cc1ccc(cc1)OC Amb16236190 [0,2,0,0,0,0|0,0,0]=2 1964 B15R1.793 CCOC(=O)CCc1ccc(CN)cc1 Amb22754403 [0,2,0,0,0,0|0,0,2]=4 1965 B15R1.793 CCOC(=O)CCc1ccc(CO)cc1 Amb24184051 [0,2,0,0,0,0|0,0,2]=4 1966 B15R1.793 CCOC(=O)CCc1ccc(cc1)C#N Amb18654250 [0,2,0,0,0,0|0,0,2]=4 1967 B15R1.793 CCOC(=O)CCc1ccc(cc1)C=O Amb24066488 [0,2,0,0,0,0|0,0,2]=4 1968 B15R1.793 CCOC(=O)COc1ccc(cc1)C#N Amb1062502 [0,2,0,0,0,0|1,0,1]=4 1969 B15R1.793 CCOC(=O)CSc1ccc(cc1)OC Amb2433155 [0,2,0,0,0,0|1,0,1]=4 1970 B15R1.793 CCOC(=O)NCc1ccc(CN)cc1 Amb23401816 [0,2,0,0,0,0|1,0,1]=4 1971 B15R1.793 CCOC(=O)NOc1ccc(cc1)C#N Amb22476129 [0,2,0,0,0,0|2,0,0]=4 1972 B15R1.793 CCOC(=O)\C=C\c1ccc(CC)cc1 Amb23505019 [0,2,0,0,0,0|0,0,0]=2 1973 B15R1.793 CCOC(=O)\C=C\c1ccc(CO)c[n]1 Amb22008661 [0,2,0,0,0,0|1,0,0]=3 1974 B15R1.793 CCOC(=O)\C=C\c1ccc(cc1)C#N Amb18653510 [0,2,0,0,0,0|0,0,0]=2 1975 B15R1.793 CCc1ccc(CCC(=O)OCC)cc1 Amb24078561 [0,2,0,0,0,0|0,0,2]=4 1976 B15R1.793 COc1ccc(cc1)C#CC(=O)OCC Amb22001838 [0,2,0,0,0,0|0,0,2]=4 1977 B15R1.870 CC(C)=CC(=O)\C=C\c1ccc(C)cc1 Amb22357015 [0,2,0,0,0,0|1,0,1]=4 1978 B15R1.870 CC(C)OC(=O)/C=C/c1ccc(Cl)cc1 Amb17844462 [0,2,0,0,0,0|0,0,0]=2 1979 B15R1.870 CC(C)OC(=O)CSc1ccc(Br)cc1 Amb20698514 [0,2,0,0,0,0|1,0,1]=4 1980 B15R1.870 CC(C)OC(=O)NCc1ccc(Cl)cc1 Amb22474181 [0,2,0,0,0,0|1,0,1]=4 1981 B15R1.870 CC(C)OC(=O)NCc1ccc(N)cc1 Amb19450984 [0,2,0,0,0,0|1,0,1]=4 1982 B15R1.870 CC(C)OC(=O)NCc1ccc(N)cc1 Amb22059025 [0,2,0,0,0,0|1,0,1]=4 1983 B15R1.870 CC(C)OC(=O)\C=C/c1ccc(Cl)cc1 Amb23504477 [0,2,0,0,0,0|0,0,0]=2 1984 B15R1.870 CC(C)OC(=O)\C=C\c1ccc(F)cc1 Amb23504467 [0,2,0,0,0,0|0,0,0]=2 1985 B15R1.870 CC(NC(=O)\C=C\c1ccc(cc1)Cl)C Amb2550853 [0,2,0,0,0,0|1,0,0]=3 1986 B15R1.870 Cc1ccc(\C=C\C(=O)OC(C)C)cc1 Amb23504580 [0,2,0,0,0,0|0,0,0]=2 1987 B15R1.1001 CN(CC)C(=O)C=Cc1ccc(F)cc1 Amb20960937 [0,2,0,0,0,0|1,0,0]=3 1988 B15R1.1001 CN(CC)C(=O)\C=C\c1ccc(Cl)cc1 Amb20960964 [0,2,0,0,0,0|1,0,0]=3 1989 B15R1.1001 CN(OC)C(=O)\C=C\c1ccc(Cl)cc1 Amb20673761 [0,2,0,0,0,0|2,0,0]=4 1990 B15R1.1001 COC(=O)C(=O)\C=C\c1ccc(Br)cc1 Amb21856893 [0,2,0,0,0,0|2,0,0]=4 1991 B15R1.1001 Cc1ccc(C=CC(=O)N(C)CC)cc1 Amb20961010 [0,2,0,0,0,0|1,0,0]=3 1992 B15R1.9519 CCOS(=O)(=O)\C=C\c1ccc(Cl)cc1 Amb19958299 [0,2,0,0,0,0|1,0,0]=3 1993 B15R1.130 CC(C)OC(=O)/C=C/c1ccccc1O Amb17844460 [0,2,0,0,0,0|0,0,0]=2 1994 B15R1.130 CC(C)OC(=O)C=Cc1ccccc1F Amb22266184 [0,2,0,0,0,0|0,0,0]=2 1995 B15R1.130 CC(C)OC(=O)COc1ccccc1Br Amb21537991 [0,2,0,0,0,0|1,0,1]=4 1996 B15R1.130 CC(C)OC(=O)\C=C\c1ccccc1Cl Amb23504470 [0,2,0,0,0,0|0,0,0]=2 1997 B15R1.130 CC(C)OC(=O)\C=C\c1ccccc1F Amb23504780 [0,2,0,0,0,0|0,0,0]=2 1998 B15R1.130 Cc1ccccc1SCC(=O)OC(C)C Amb22266216 [0,2,0,0,0,0|1,0,1]=4 1999 B15R1.768 CCNC(=O)C=Cc1ccccc1OC Amb11220378 [0,2,0,0,0,0|1,0,0]=3 2000 B15R1.768 CCOC(=O)CCc1ccccc1C=O Amb24073741 [0,2,0,0,0,0|0,0,2]=4 2001 B15R1.768 CCOC(=O)CNc1ccccc1C#N Amb2414623 [0,2,0,0,0,0|1,0,1]=4 2002 B15R1.768 CCOC(=O)COc1ccccc1C#N Amb2099799 [0,2,0,0,0,0|1,0,1]=4 2003 B15R1.768 CCOC(=O)COc1ccccc1SC Amb22740086 [0,2,0,0,0,0|1,0,1]=4 2004 B15R1.768 CCOC(=O)\C=C\c1ccccc1C#N Amb18653511 [0,2,0,0,0,0|0,0,0]=2 2005 B15R1.768 CCOC(=O)\C=C\c1cccnc1OC Amb10807801 [0,2,0,0,0,0|1,0,0]=3 2006 B15R1.768 COc1ccccc1C#CC(=O)OCC Amb24079984 [0,2,0,0,0,0|0,0,2]=4 2007 B15R1.1323 CN(CC)C(=O)C=Cc1ccccc1Br Amb20961054 [0,2,0,0,0,0|1,0,0]=3 2008 B15R1.1323 COC(=O)C(=O)\C=C\c1ccccc1Br Amb21926826 [0,2,0,0,0,0|2,0,0]=4 2009 B15R1.1323 CON(C)C(=O)C=Cc1ccccc1Br Amb22269637 [0,2,0,0,0,0|2,0,0]=4 2010 B15R1.36731 CCOC(=O)C#Cc1c(F)cccc1Cl Amb24527328 [0,2,0,0,0,0|0,0,2]=4 2011 B15R1.36731 CCOC(=O)CCc1c(Cl)cccc1Br Amb23401462 [0,2,0,0,0,0|0,0,2]=4 2012 B15R1.36731 CCOC(=O)CCc1c(F)cccc1Cl Amb23603712 [0,2,0,0,0,0|0,0,2]=4 2013 B15R1.36731 CCOC(=O)COc1c(F)cccc1Br Amb22896686 [0,2,0,0,0,0|1,0,1]=4 2014 B15R1.36731 CCOC(=O)\C=C\c1c(N)[n]c[n]c1Cl Amb22235506 [0,2,0,0,0,0|2,0,0]=4 2015 B15R1.348 ICC(C(=O)\C=C\c1ccccc1)(O)C Amb1982529 [0,2,0,0,0,0|2,0,0]=4 2016 B15R1.488 CCN(CC)C(=O)C=Cc1ccc[n]c1 Amb20911289 [0,2,0,0,0,0|2,0,0]=4 2017 B15R1.3465 CC(C)(C)OC(=O)C#Cc1ccccc1 Amb25182423 [0,2,0,0,0,0|0,0,2]=4 2018 B15R1.3465 CC(C)(C)OC(=O)CNc1ccccc1 Amb19148099 [0,2,0,0,0,0|1,0,1]=4 2019 B15R1.3465 CC(C)(C)OC(=O)COc1ccccc1 Amb22266636 [0,2,0,0,0,0|1,0,1]=4 2020 B15R1.3465 CC(C)(C)OC(=O)CSc1ccccc1 Amb22266641 [0,2,0,0,0,0|1,0,1]=4 2021 B15R1.3465 CC(C)(C)OC(=O)NOc1ccccc1 Amb24084728 [0,2,0,0,0,0|2,0,0]=4 2022 B15R1.3465 CC(C)(C)OC(=O)\C=C\c1cccc[n]1 Amb22001427 [0,2,0,0,0,0|1,0,0]=3 2023 B15R1.3465 CC(C)(C)OC(=O)\C=C\c1ccccc1 Amb20671682 [0,2,0,0,0,0|0,0,0]=2 2024 B15R1.3465 CC(C)(C)OC(=O)\N=C\c1c[n]ccc1 Amb24472661 [0,2,0,0,0,0|2,0,0]=4 2025 B15R1.3465 CC(C)(C)OC(=O)\N=C\c1cccc[n]1 Amb24705565 [0,2,0,0,0,0|2,0,0]=4 2026 B15R1.3465 CC(C)(C)OC(=O)\N=C\c1ccccc1 Amb24627223 [0,2,0,0,0,0|1,0,0]=3 2027 B15R1.3465 O=C(NC(C)(C)C)\C=C\c1cccnc1 Amb10707189 [0,2,0,0,0,0|2,0,0]=4 2028 B15R1.3465 O=C(NS(=O)(=O)C)\C=C\c1ccccc1 Amb10575897 [0,2,0,0,0,0|2,0,0]=4 2029 B15R1.3983 CCOC(=CCc1ccccc1)OCC Amb22546882 [0,2,0,0,0,0|0,0,2]=4 2030 B13R1.404 CCOC(=O)N\C=C/c1ccc[s]1 Amb24682097 [0,0,1,1,0,0|2,0,0]=4 2031 B13R1.404 CCOC(=O)N\C=C/c1ccco1 Amb25112124 [0,0,1,1,0,0|2,0,0]=4 2032 B13R1.404 CCOC(=O)N\C=C\c1ccc[s]1 Amb25230660 [0,0,1,1,0,0|2,0,0]=4 2033 B13R1.463 CCOC(=O)C1=CC=CC=CC1=O Amb24633659 [0,0,1,1,0,0|1,0,0]=3 2034 B13R1.464 CCNC(=O)c1ccccc1C=O Amb25305984 [0,0,1,1,0,0|2,0,0]=4 2035 B13R1.464 CCOC(=O)c1c[n]ccc1C=O Amb22500441 [0,0,1,1,0,0|2,0,0]=4 2036 B13R1.464 CCOC(=O)c1cc[n]cc1C=O Amb23560771 [0,0,1,1,0,0|2,0,0]=4 2037 B13R1.464 CCOC(=O)c1ccc[n]c1C=O Amb22500674 [0,0,1,1,0,0|2,0,0]=4 2038 B13R1.464 CCOC(=O)c1ccccc1C#N Amb16230819 [0,0,1,1,0,0|1,0,1]=4 2039 B13R1.464 CCOC(=O)c1ccccc1CBr Amb10071455 [0,0,1,1,0,0|1,0,1]=4 2040 B13R1.464 CCOC(=O)c1ccccc1CC Amb20621222 [0,0,1,1,0,0|0,0,2]=4 2041 B13R1.464 CCOC(=O)c1ccccc1CI Amb24061261 [0,0,1,1,0,0|1,0,1]=4 2042 B13R1.464 CCOC(=O)c1ccccc1NN Amb24359843 [0,0,1,1,0,0|2,0,0]=4 2043 B13R1.464 CCOC(=O)c1ccccc1SC Amb22371251 [0,0,1,1,0,0|1,0,1]=4 2044 B13R1.464 CCOC(=O)c1ccccc1[N+]#N Amb25141527 [0,0,1,1,0,0|2,0,0]=4 2045 B13R1.464 CCOC(=O)c1ncccc1C=O Amb15695355 [0,0,1,1,0,0|2,0,0]=4 2046 B13R1.464 [C-]#[N+]c1ccccc1C(=O)OCC Amb19928641 [0,0,1,1,0,0|1,0,1]=4 2047 B13R1.567 CCOc1cccc(c1)\C=C\C=O Amb17335118 [0,0,1,1,0,0|2,0,0]=4 2048 B13R1.1464 CCCC(=O)C=1C=CC=CC=CC1 Amb25059693 [0,0,1,1,0,0|1,0,0]=3 2049 B13R1.1575 CCOC(=O)NC1=CCC=CC=C1 Amb25034337 [0,0,1,1,0,0|1,0,1]=4 2050 B13R1.460 CCNC(=O)c1c[n]cc(C=C)c1 Amb24490545 [0,0,1,1,0,0|2,0,0]=4 2051 B13R1.460 CCNC(=O)c1cc(ccc1)C=O Amb24066803 [0,0,1,1,0,0|2,0,0]=4 2052 B13R1.460 CCOC(=O)c1cc(C=O)[n]cc1 Amb21857369 [0,0,1,1,0,0|2,0,0]=4 2053 B13R1.460 CCOC(=O)c1cc(CBr)ccc1 Amb22002428 [0,0,1,1,0,0|1,0,1]=4 2054 B13R1.460 CCOC(=O)c1cc(CN)ccc1 Amb22499039 [0,0,1,1,0,0|1,0,1]=4 2055 B13R1.460 CCOC(=O)c1cc(cc[n]1)C=O Amb22500675 [0,0,1,1,0,0|2,0,0]=4 2056 B13R1.460 CCOC(=O)c1cc(ccc1)C#C Amb23412172 [0,0,1,1,0,0|0,0,2]=4 2057 B13R1.460 CCOC(=O)c1cc(ccc1)NC Amb19037540 [0,0,1,1,0,0|1,0,1]=4 2058 B13R1.460 CCOC(=O)c1cc(ccc1)[Zn]I Amb22000407 [0,0,1,1,0,0|2,0,0]=4 2059 B13R1.460 CCOC(=O)c1cccc(C=O)[n]1 Amb19889851 [0,0,1,1,0,0|2,0,0]=4 2060 B13R1.460 CCOC(=O)c1cccc(c1)C=C Amb16185424 [0,0,1,1,0,0|0,0,0]=2 2061 B13R1.460 CCOC(=O)c1cccc(c1)C=O Amb10807492 [0,0,1,1,0,0|1,0,0]=3 2062 B13R1.460 CCOC(=O)c1cccc(c1)CCl Amb10071038 [0,0,1,1,0,0|1,0,1]=4 2063 B13R1.460 CCOC(=O)c1cccc(c1)NN Amb10604175 [0,0,1,1,0,0|2,0,0]=4 2064 B13R1.77 CCOc1ccc(cc1)\C=C\C=O Amb17335119 [0,0,1,1,0,0|2,0,0]=4 2065 B13R1.446 CCOC(=O)c1cc(Br)ccc1I Amb19888237 [0,0,1,1,0,0|2,0,0]=4 2066 B13R1.446 CCOC(=O)c1cc(Br)ccc1S Amb24597053 [0,0,1,1,0,0|2,0,0]=4 2067 B13R1.446 CCOC(=O)c1cc(C)ccc1I Amb10069354 [0,0,1,1,0,0|1,0,1]=4 2068 B13R1.446 CCOC(=O)c1cc(Cl)ccc1Br Amb24065402 [0,0,1,1,0,0|2,0,0]=4 2069 B13R1.446 CCOC(=O)c1cc(Cl)ccc1I Amb16185428 [0,0,1,1,0,0|2,0,0]=4 2070 B13R1.446 CCOC(=O)c1cc(Cl)ccc1S Amb24437995 [0,0,1,1,0,0|2,0,0]=4 2071 B13R1.446 CCOC(=O)c1cc(F)ccc1O Amb10576342 [0,0,1,1,0,0|2,0,0]=4 2072 B13R1.446 CCOC(=O)c1cc(F)ccc1S Amb22337257 [0,0,1,1,0,0|2,0,0]=4 2073 B13R1.446 CCOC(=O)c1cc(I)ccc1Br Amb19888257 [0,0,1,1,0,0|2,0,0]=4 2074 B13R1.446 CCOC(=O)c1cc(I)ccc1Cl Amb19887819 [0,0,1,1,0,0|2,0,0]=4 2075 B13R1.446 CCOC(=O)c1cc(I)ccc1F Amb19887822 [0,0,1,1,0,0|2,0,0]=4 2076 B13R1.446 CCOC(=O)c1cc(I)ccc1I Amb24066424 [0,0,1,1,0,0|2,0,0]=4 2077 B13R1.446 CCOC(=O)c1cc(I)ccc1N Amb10068700 [0,0,1,1,0,0|2,0,0]=4 2078 B13R1.446 CCOC(=O)c1cc(I)ccc1O Amb16232638 [0,0,1,1,0,0|2,0,0]=4 2079 B13R1.446 CCOC(=O)c1cc(I)ccc1S Amb25699409 [0,0,1,1,0,0|2,0,0]=4 2080 B13R1.446 CCOC(=O)c1cc(N)ccc1Br Amb18294542 [0,0,1,1,0,0|2,0,0]=4 2081 B13R1.446 CCOC(=O)c1cc(N)ccc1F Amb18984956 [0,0,1,1,0,0|2,0,0]=4 2082 B13R1.446 CCOC(=O)c1cc(N)ccc1N Amb18975485 [0,0,1,1,0,0|2,0,0]=4 2083 B13R1.446 CCOC(=O)c1cc(O)ccc1Br Amb21964346 [0,0,1,1,0,0|2,0,0]=4 2084 B13R1.446 CCOC(=O)c1cc(O)ccc1Cl Amb22001181 [0,0,1,1,0,0|2,0,0]=4 2085 B13R1.446 CCOC(=O)c1cc(O)ccc1I Amb10553667 [0,0,1,1,0,0|2,0,0]=4 2086 B13R1.446 CCOC(=O)c1cc(O)ccc1N Amb18977547 [0,0,1,1,0,0|2,0,0]=4 2087 B13R1.446 CCOC(=O)c1cc(S)ccc1Br Amb25310858 [0,0,1,1,0,0|2,0,0]=4 2088 B13R1.446 CCOC(=O)c1cc(S)ccc1Cl Amb25760626 [0,0,1,1,0,0|2,0,0]=4 2089 B13R1.446 CCOC(=O)c1cc(S)ccc1F Amb25141521 [0,0,1,1,0,0|2,0,0]=4 2090 B13R1.446 Cc1ccc(Cl)c(c1)C(=O)OCC Amb22750100 [0,0,1,1,0,0|1,0,1]=4 2091 B13R1.446 Cc1ccc(Cl)cc1C(=O)OCC Amb22750098 [0,0,1,1,0,0|1,0,1]=4 2092 B13R1.446 Cc1ccc(F)c(c1)C(=O)OCC Amb18187070 [0,0,1,1,0,0|1,0,1]=4 2093 B13R1.446 Cc1ccc(F)cc1C(=O)OCC Amb18805490 [0,0,1,1,0,0|1,0,1]=4 2094 B13R1.446 Cc1ccc(N)cc1C(=O)OCC Amb18291232 [0,0,1,1,0,0|1,0,1]=4 2095 B13R1.446 Cc1ccc(S)cc1C(=O)OCC Amb25724739 [0,0,1,1,0,0|1,0,1]=4 2096 B13R1.446 Cc1ccc(cc1C(=O)OCC)Br Amb16232898 [0,0,1,1,0,0|1,0,1]=4 2097 B13R1.446 Cc1ccc(cc1C(=O)OCC)I Amb16232911 [0,0,1,1,0,0|1,0,1]=4 2098 B13R1.1462 CCOC(=O)C1=CC(=O)C=CC=C1 Amb24492591 [0,0,1,1,0,0|1,0,0]=3 2099 B13R2.1 CCCc1coc2ccccc21 Amb24102497 [1,0,0,1,0,0|2,0,0]=4 2100 B13R2.1 CCNc1c[nH]c2ccccc12 Amb18553872 [1,0,0,1,0,0|2,0,0]=4 2101 B13R2.1 CCNc1c[s]c2ccccc21 Amb25820242 [1,0,0,1,0,0|2,0,0]=4 2102 B13R2.1 CCNc1coc2ccccc21 Amb25119969 [1,0,0,1,0,0|2,0,0]=4 2103 B13R2.1 CCO[n]1c[n]c2ccccc12 Amb25073171 [1,0,0,1,0,0|2,0,0]=4 2104 B13R2.1 CCO[n]1ccc2ccccc12 Amb25830466 [1,0,0,1,0,0|1,0,0]=3 2105 B13R2.1 CCOc1[n][nH]c2ccccc21 Amb21857446 [1,0,0,1,0,0|2,0,0]=4 2106 B13R2.1 CCOc1[s][n]c2ccccc21 Amb25253716 [1,0,0,1,0,0|2,0,0]=4 2107 B13R2.1 CCOc1c[nH]c2ccccc12 Amb22750438 [1,0,0,1,0,0|1,0,0]=3 2108 B13R2.1 CCOc1coc2[n]cccc12 Amb25087829 [1,0,0,1,0,0|2,0,0]=4 2109 B13R2.1 CCOc1coc2ccccc12 Amb24085955 [1,0,0,1,0,0|1,0,0]=3 2110 B13R2.1 CCSc1c[nH]c2ccccc12 Amb25849843 [1,0,0,1,0,0|1,1,0]=4 2111 B13R2.3 C1C=C(CCO1)c2ccccc2 Amb21960770 [1,0,0,1,0,0|0,0,1]=3 2112 B13R2.3 C1CC(C=CN1)c2ccccc2 Amb25374926 [1,0,0,1,0,0|1,0,1]=4 2113 B13R2.3 C1CC(C=C[NH2+]1)c2ccccc2 Amb24080270 [1,0,0,1,0,0|1,0,1]=4 2114 B13R2.3 N1CCC(=CC1)c2ccccc2 Amb1153094 [1,0,0,1,0,0|1,0,1]=4 2115 B13R2.15 Brc1occc1c2ccccc2 Amb13884539 [1,0,0,1,0,0|1,0,1]=4 2116 B13R2.15 C[n]1[n]ccc1-c2ccccc2 Amb18787762 [1,0,0,1,0,0|2,0,0]=4 2117 B13R2.17 CC1OC1\C=C\c2ccccc2 Amb25328517 [1,0,0,1,0,0|0,0,1]=3 2118 B13R2.64 C(c1ccccc1)C=2CCCC2 Amb24059058 [1,0,0,1,0,0|1,0,1]=4 2119 B13R2.64 C/1NCC\C1=C\c2ccccc2 Amb25731960 [1,0,0,1,0,0|1,0,1]=4 2120 B13R2.64 C1CCC(=Cc2ccccc2)C1 Amb10606582 [1,0,0,1,0,0|1,0,1]=4 2121 B13R2.64 C1CCC=C1Nc2ccccc2 Amb25805974 [1,0,0,1,0,0|2,0,0]=4 2122 B13R2.64 C1COC=C1Sc2ccccc2 Amb24484091 [1,0,0,1,0,0|1,0,0]=3 2123 B13R2.1613 CCN1C=CCc2ccccc12 Amb21929335 [1,0,0,1,0,0|1,0,1]=4 2124 B13R2.1613 CC[n+]1cccc2ccccc12 Amb17837131 [1,0,0,1,0,0|1,0,0]=3 2125 B13R2.1613 CC[n+]1cccc2ccccc12 Amb22359959 [1,0,0,1,0,0|1,0,0]=3 2126 B13R2.1613 CCc1[n]ccc2ccccc21 Amb20241796 [1,0,0,1,0,0|2,0,0]=4 2127 B13R2.1613 CCc1c[n]cc2ccccc21 Amb24091560 [1,0,0,1,0,0|2,0,0]=4 2128 B13R2.1613 CCc1cc[n]c2ccccc21 Amb24066048 [1,0,0,1,0,0|2,0,0]=4 2129 B13R2.1613 CCc1cccc2c[n]ccc21 Amb23448771 [1,0,0,1,0,0|2,0,0]=4 2130 B13R2.1613 CCc1cccc2cc[n]cc21 Amb24092296 [1,0,0,1,0,0|2,0,0]=4 2131 B13R2.1613 CNc1cccc2ccccc21 Amb22231332 [1,0,0,1,0,0|2,0,0]=4 2132 B13R2.1613 CO[n+]1cccc2c1cccc2 Amb10553832 [1,0,0,1,0,0|2,0,0]=4 2133 B13R2.1613 ICc1cccc2ccccc21 Amb24060253 [1,0,0,1,0,0|2,0,0]=4 2134 B13R2.1613 NCc1cccc2c1cccc2 Amb1116902 [1,0,0,1,0,0|2,0,0]=4 2135 B13R2.1613 NCc1cccc2ccccc21 Amb19196789 [1,0,0,1,0,0|2,0,0]=4 2136 B13R2.10 Brc1cc([n]o1)-c2ccccc2 Amb22491894 [1,0,0,1,0,0|2,0,0]=4 2137 B13R2.10 Brc1occ(c1)c2ccccc2 Amb10600637 [1,0,0,1,0,0|1,0,1]=4 2138 B13R2.10 Cc1onc(c1)c2ccccc2 Amb10553849 [1,0,0,1,0,0|2,0,0]=4 2139 B13R2.10 Nc1occ(c1)c2ccccc2 Amb10600638 [1,0,0,1,0,0|1,0,1]=4 2140 B13R2.10 Nc1onc(c1)c2ccccc2 Amb1156941 [1,0,0,1,0,0|2,0,0]=4 2141 B13R2.10 O=C1C=C(CO1)c2ccccc2 Amb24633865 [1,0,0,1,0,0|0,0,0]=2 2142 B13R2.10 O=C1C=C(N=N1)c2ccccc2 Amb24721566 [1,0,0,1,0,0|2,0,0]=4 2143 B13R2.10 O=C1C=C(NN1)c2ccccc2 Amb18800327 [1,0,0,1,0,0|2,0,0]=4 2144 B13R2.10 O=C1C=C(SN1)c2ccccc2 Amb24085196 [1,0,0,1,0,0|2,0,0]=4 2145 B13R2.10 O=C1C=C(SS1)c2ccccc2 Amb19517525 [1,0,0,1,0,0|1,1,0]=4 2146 B13R2.10 O=C1C=[N+]([N-]O1)c2ccccc2 Amb21934019 [1,0,0,1,0,0|2,0,0]=4 2147 B13R2.10 O=C1CC(=CO1)c2ccccc2 Amb25697090 [1,0,0,1,0,0|0,0,2]=4 2148 B13R2.10 O=C1CC=C(N1)c2ccccc2 Amb25130705 [1,0,0,1,0,0|1,0,1]=4 2149 B13R2.10 O=C1CC=C(O1)c2ccccc2 Amb10570673 [1,0,0,1,0,0|1,0,1]=4 2150 B13R2.10 O=C1CCC(=C1)c2c[n]c[n]c2 Amb25041945 [1,0,0,1,0,0|2,0,0]=4 2151 B13R2.10 O=C1CCC(=C1)c2ccccc2 Amb10669546 [1,0,0,1,0,0|0,0,0]=2 2152 B13R2.10 O=C1CCC(=C1)c2ccccn2 Amb17138484 [1,0,0,1,0,0|1,0,0]=3 2153 B13R2.10 O=C1CCC(=C1)c2cccnc2 Amb17138485 [1,0,0,1,0,0|1,0,0]=3 2154 B13R2.10 O=C1CCC(=C1)c2ccncc2 Amb17138486 [1,0,0,1,0,0|1,0,0]=3 2155 B13R2.10 O=C1CCC(C1)c2ccccc2 Amb17138497 [1,0,0,1,0,0|0,0,2]=4 2156 B13R2.10 O=C1CCC(N1)c2ccccc2 Amb17470413 [1,0,0,1,0,0|1,0,1]=4 2157 B13R2.10 O=C1CN=C(N1)c2ccccc2 Amb17842816 [1,0,0,1,0,0|2,0,0]=4 2158 B13R2.10 O=C1COC(=C1)c2ccccc2 Amb24090252 [1,0,0,1,0,0|1,0,0]=3 2159 B13R2.10 O=C1CSC(=N1)c2ccccc2 Amb16231550 [1,0,0,1,0,0|2,0,0]=4 2160 B13R2.10 O=C1CSC(=N1)c2ccccc2 Amb2384341 [1,0,0,1,0,0|2,0,0]=4 2161 B13R2.10 O=C1C[C@@H](CC1)c2ccccc2 Amb24323281 [1,0,0,1,0,0|0,0,2]=4 2162 B13R2.10 O=C1C[C@H](CC1)c2ccccc2 Amb24484347 [1,0,0,1,0,0|0,0,2]=4 2163 B13R2.10 O=C1NC(=NO1)c2ccccc2 Amb18788105 [1,0,0,1,0,0|2,0,0]=4 2164 B13R2.10 O=c1cc([nH]o1)-c2ccccc2 Amb24062192 [1,0,0,1,0,0|1,0,0]=3 2165 B13R2.32 CC1C(=O)CNc2ccccc21 Amb25276622 [1,0,0,1,0,0|1,0,1]=4 2166 B13R2.32 CC1C(=O)CSc2ccccc21 Amb24620041 [1,0,0,1,0,0|1,0,1]=4 2167 B13R2.32 CN1C(=O)C=Cc2c[n]ccc12 Amb22491898 [1,0,0,1,0,0|2,0,0]=4 2168 B13R2.32 CN1C(=O)C=Cc2cc[n]cc12 Amb25707761 [1,0,0,1,0,0|2,0,0]=4 2169 B13R2.32 CN1C(=O)C=Cc2ccccc12 Amb19116112 [1,0,0,1,0,0|1,0,0]=3 2170 B13R2.32 CN1C(=O)N=Cc2ccccc12 Amb24079785 [1,0,0,1,0,0|2,0,0]=4 2171 B13R2.32 CN1C(=S)C=Cc2ccccc12 Amb19651670 [1,0,0,1,0,0|1,1,0]=4 2172 B13R2.32 C[n+]1c(C)ccc2c1cccc2 Amb2540178 [1,0,0,1,0,0|2,0,0]=4 2173 B13R2.32 C[n+]1c(I)ccc2ccccc12 Amb22485663 [1,0,0,1,0,0|2,0,0]=4 2174 B13R2.32 C[n+]1c(N)ccc2c1cccc2 Amb10553827 [1,0,0,1,0,0|2,0,0]=4 2175 B13R2.32 Cc1c(Br)ccc2ccccc21 Amb21929204 [1,0,0,1,0,0|1,0,1]=4 2176 B13R2.32 Cc1ccc2ccccc2[n+]1C Amb17843414 [1,0,0,1,0,0|2,0,0]=4 2177 B13R2.32 Nc1ccc2c(c1C)cccc2 Amb17593938 [1,0,0,1,0,0|1,0,1]=4 2178 B13R2.32 Nn1c(=O)ccc2c1cccc2 Amb10553630 [1,0,0,1,0,0|2,0,0]=4 2179 B13R2.32 ON1C(=O)C=Cc2ccccc12 Amb22723451 [1,0,0,1,0,0|2,0,0]=4 2180 B13R2.33 O=C1C=Cc2[n]cccc2CN1 Amb24545909 [1,0,0,1,0,0|2,0,0]=4 2181 B13R2.33 O=C1C=Cc2c(CC1)cccc2 Amb17593958 [1,0,0,1,0,0|0,0,0]=2 2182 B13R2.33 O=C1C=Cc2ccccc2C=C1 Amb21952910 [1,0,0,1,0,0|0,0,2]=4 2183 B13R2.33 O=C1CCc2cc[n]cc2C=C1 Amb24424904 [1,0,0,1,0,0|1,0,0]=3 2184 B13R2.33 O=C1CCc2ccccc2CO1 Amb24525708 [1,0,0,1,0,0|0,0,2]=4 2185 B13R2.33 O=C1CSc2ccccc2CC1 Amb25044274 [1,0,0,1,0,0|1,0,1]=4 2186 B13R2.33 O=C1NCc2ccccc2CO1 Amb24100846 [1,0,0,1,0,0|1,0,1]=4 2187 B13R2.33 OC1CCc2ccccc2C=C1 Amb25071698 [1,0,0,1,0,0|0,0,2]=4 2188 B13R2.57 BrCc1ccc2ccccc2[n]1 Amb21857522 [1,0,0,1,0,0|2,0,0]=4 2189 B13R2.57 CCc1c[n]c2ccccc2[n]1 Amb24084106 [1,0,0,1,0,0|2,0,0]=4 2190 B13R2.57 CCc1cc2[n]cccc2cc1 Amb24436476 [1,0,0,1,0,0|2,0,0]=4 2191 B13R2.57 CCc1cc2c[n]ccc2cc1 Amb19100642 [1,0,0,1,0,0|2,0,0]=4 2192 B13R2.57 CCc1cc2cc[n]cc2cc1 Amb24091669 [1,0,0,1,0,0|2,0,0]=4 2193 B13R2.57 CCc1cc2ccc[n]c2cc1 Amb18355325 [1,0,0,1,0,0|2,0,0]=4 2194 B13R2.57 CCc1cc2ccccc2c[n]1 Amb20621248 [1,0,0,1,0,0|2,0,0]=4 2195 B13R2.57 CCc1ccc2c[n]ccc2[n]1 Amb24648881 [1,0,0,1,0,0|2,0,0]=4 2196 B13R2.57 CCc1ccc2ccccc2[n]1 Amb20667571 [1,0,0,1,0,0|1,0,0]=3 2197 B13R2.57 CCc1ccc2ccccc2[n]1 Amb22282219 [1,0,0,1,0,0|1,0,0]=3 2198 B13R2.57 CCc1cnc2c(c1)cccc2 Amb15691863 [1,0,0,1,0,0|2,0,0]=4 2199 B13R2.57 CO[n+]1ccc2c(c1)cccc2 Amb10553833 [1,0,0,1,0,0|2,0,0]=4 2200 B13R2.57 CO[n+]1ccc2c(c1)cccc2 Amb10553841 [1,0,0,1,0,0|2,0,0]=4 2201 B13R2.57 COc1[n]c2ccccc2c[n]1 Amb22745160 [1,0,0,1,0,0|2,0,0]=4 2202 B13R2.57 COc1c[n]c2ccccc2[n]1 Amb24105763 [1,0,0,1,0,0|2,0,0]=4 2203 B13R2.57 COc1cc2[n]cccc2cc1 Amb24183299 [1,0,0,1,0,0|2,0,0]=4 2204 B13R2.57 COc1cc2cc[n]cc2cc1 Amb22236031 [1,0,0,1,0,0|2,0,0]=4 2205 B13R2.57 COc1cc2ccccc2[n]c1 Amb19957896 [1,0,0,1,0,0|2,0,0]=4 2206 B13R2.57 COc1ccc2c(c1)cccn2 Amb1156981 [1,0,0,1,0,0|2,0,0]=4 2207 B13R2.57 COc1ccc2c(c1)ccnc2 Amb10071944 [1,0,0,1,0,0|2,0,0]=4 2208 B13R2.57 COc1ccc2c(c1)cncc2 Amb10610318 [1,0,0,1,0,0|2,0,0]=4 2209 B13R2.57 COc1ccc2c(c1)nccc2 Amb17617089 [1,0,0,1,0,0|2,0,0]=4 2210 B13R2.57 COc1ccc2cc[n]cc2[n]1 Amb25791641 [1,0,0,1,0,0|2,0,0]=4 2211 B13R2.57 COc1ccc2ccccc2[n]1 Amb20171196 [1,0,0,1,0,0|1,0,0]=3 2212 B13R2.57 ClCc1ccc2ccccc2[nH+]1 Amb24113853 [1,0,0,1,0,0|2,0,0]=4 2213 B13R2.57 FCc1ccc2ccccc2[n]1 Amb25060619 [1,0,0,1,0,0|2,0,0]=4 2214 B13R2.57 ICc1cc2ccccc2cc1 Amb24060884 [1,0,0,1,0,0|2,0,0]=4 2215 B13R2.57 NCc1cc2ccccc2cc1 Amb19957972 [1,0,0,1,0,0|2,0,0]=4 2216 B13R2.57 NCc1ccc2c(c1)cccc2 Amb1120053 [1,0,0,1,0,0|2,0,0]=4 2217 B13R2.57 NCc1ccc2c(n1)cccc2 Amb1139476 [1,0,0,1,0,0|2,0,0]=4 2218 B13R2.57 NCc1ccc2c(n1)cccc2 Amb15695438 [1,0,0,1,0,0|2,0,0]=4 2219 B13R2.57 NOc1cc2ccccc2cc1 Amb18645172 [1,0,0,1,0,0|2,0,0]=4 2220 B13R2.57 OCc1ccc2c(c1)cccc2 Amb2389960 [1,0,0,1,0,0|2,0,0]=4 2221 B13R2.57 OCc1ccc2c(n1)cccc2 Amb1154605 [1,0,0,1,0,0|2,0,0]=4 2222 B13R2.57 OCc1ccc2ccccc2[n]1 Amb21857708 [1,0,0,1,0,0|2,0,0]=4 2223 B13R2.57 SCc1cc2ccccc2cc1 Amb21943705 [1,0,0,1,0,0|2,0,0]=4 2224 B13R2.373 CC1C(CC1=O)c2ccccc2 Amb20668234 [1,0,0,1,0,0|0,0,2]=4 2225 B13R2.373 CC1C(NC1=O)c2ccccc2 Amb19149073 [1,0,0,1,0,0|1,0,1]=4 2226 B13R2.373 C[C@@H]1[C@H](NC1=O)c2ccccc2 Amb25206665 [1,0,0,1,0,0|1,0,1]=4 2227 B13R2.373 C[C@H]1[C@@H](CC1=O)c2ccccc2 Amb25263638 [1,0,0,1,0,0|0,0,2]=4 2228 B13R2.373 O=C1C=C(c2ccccc2)C1=O Amb22172059 [1,0,0,1,0,0|1,0,1]=4 2229 B13R2.3203 NC1(CC1)\C=C\c2ccccc2 Amb25068416 [1,0,0,1,0,0|1,0,1]=4 2230 B13R2.15272 CNC(=S)C1=Cc2ccccc21 Amb25764558 [1,0,0,1,0,0|1,1,0]=4 2231 B13R2.15272 COC(=O)C1=Cc2ccccc21 Amb20248945 [1,0,0,1,0,0|0,0,0]=2 2232 B13R2.26 CCCC1=Cc2c(C1)cccc2 Amb15692407 [0,0,0,1,1,0|2,0,0]=4 2233 B13R2.26 CCCc1cc2ccccc2[nH]1 Amb17939106 [0,0,0,1,1,0|2,0,0]=4 2234 B13R2.26 CCNc1cc2ccccc2o1 Amb24064466 [0,0,0,1,1,0|1,0,1]=4 2235 B13R2.26 CCOC=1Cc2ccccc2N1 Amb24408882 [0,0,0,1,1,0|1,0,1]=4 2236 B13R2.26 CCOc1cc2ccccc2[nH]1 Amb22750429 [0,0,0,1,1,0|1,0,0]=3 2237 B13R2.26 CCOc1cc2ccccc2o1 Amb24104388 [0,0,0,1,1,0|0,0,1]=3 2238 B13R2.26 CCSc1cc2ccccc2[nH]1 Amb25290226 [0,0,0,1,1,0|1,1,0]=4 2239 B13R2.30 CC1CC(=O)C1c2ccccc2 Amb24449010 [0,0,0,1,1,0|1,0,1]=4 2240 B13R2.30 CC1NC(=O)[C@H]1c2ccccc2 Amb24381390 [0,0,0,1,1,0|1,0,1]=4 2241 B13R2.135 CCC1C(=O)Nc2ccccc21 Amb23585468 [0,0,0,1,1,0|2,0,0]=4 2242 B13R2.135 CCC1C(=O)Oc2ccccc21 Amb24103815 [0,0,0,1,1,0|2,0,0]=4 2243 B13R2.135 CCN1C(=O)Cc2c1cccc2 Amb2416954 [0,0,0,1,1,0|1,0,1]=4 2244 B13R2.135 CCN1C(=O)Nc2ccccc12 Amb18034265 [0,0,0,1,1,0|2,0,0]=4 2245 B13R2.135 CCN1C(=O)Oc2ccccc12 Amb17992087 [0,0,0,1,1,0|2,0,0]=4 2246 B13R2.163 BrC=1CCCc2ccccc2C1 Amb25244811 [0,0,0,1,1,0|2,0,0]=4 2247 B13R2.163 O=C1CCCc2c(N1)cccc2 Amb1077569 [0,0,0,1,1,0|2,0,0]=4 2248 B13R2.163 O=C1CCCc2ccccc2O1 Amb22900954 [0,0,0,1,1,0|2,0,0]=4 2249 B13R2.163 O=C1NCCc2c(C1)cccc2 Amb16203437 [0,0,0,1,1,0|1,0,1]=4 2250 B13R2.163 O=C1Nc2ccccc2CCO1 Amb24495939 [0,0,0,1,1,0|1,0,0]=3 2251 B13R2.328 CC1CC(=O)Nc2ccccc12 Amb17836212 [0,0,0,1,1,0|2,0,0]=4 2252 B13R2.328 CC1NC(=O)Cc2ccccc21 Amb23454628 [0,0,0,1,1,0|1,0,1]=4 2253 B13R2.328 CC1NC(=O)Nc2ccccc21 Amb22756019 [0,0,0,1,1,0|2,0,0]=4 2254 B13R2.328 CC1NC(=O)Oc2ccccc21 Amb25823463 [0,0,0,1,1,0|2,0,0]=4 2255 B13R2.328 CC1OC(=O)Nc2ccccc21 Amb25063171 [0,0,0,1,1,0|1,0,0]=3 2256 B13R2.328 CC=1NC(=O)C=C2C=CC=CC21 Amb22371049 [0,0,0,1,1,0|1,0,1]=4 2257 B13R2.328 C[C@@H]1CC(=O)Nc2ccccc21 Amb24445921 [0,0,0,1,1,0|2,0,0]=4 2258 B13R2.328 C[C@H]1CC(=O)Nc2ccccc21 Amb25335663 [0,0,0,1,1,0|2,0,0]=4 2259 B13R2.328 C[C@H]1NC(=O)Cc2ccccc21 Amb25315064 [0,0,0,1,1,0|1,0,1]=4 2260 B13R2.328 O=C1CC(C)c2c(C1)cccc2 Amb17594002 [0,0,0,1,1,0|1,0,1]=4 2261 B13R2.444 O=C(Cc1ccccc1)C2CC2 Amb18034012 [0,0,0,1,1,0|1,0,1]=4 2262 B13R2.444 O=C(Oc1ccccc1)N2CC2 Amb25801716 [0,0,0,1,1,0|2,0,0]=4 2263 B13R2.13 O=C1CCCC(=C1)c2c[nH]cc2 Amb24452447 [0,0,0,1,1,0|2,0,0]=4 2264 B13R2.13 O=C1CCCC(=C1)c2ccc[nH]2 Amb24739853 [0,0,0,1,1,0|2,0,0]=4 2265 B13R2.13 O=C1CCCC(=C1)c2cocc2 Amb25150824 [0,0,0,1,1,0|2,0,0]=4 2266 B13R2.29 O=C/1CCC\C1=C/c2ccco2 Amb24516615 [0,0,0,1,1,0|2,0,0]=4 2267 B13R2.29 O=C/1NCC\C1=C/c2ccco2 Amb24558593 [0,0,0,1,1,0|2,0,0]=4 2268 B13R2.449 CCOc1cc2[s]ccc2cc1 Amb24091107 [0,0,0,1,1,0|2,0,0]=4 2269 B13R2.449 CCOc1cc2cc[s]c2cc1 Amb24091095 [0,0,0,1,1,0|2,0,0]=4 2270 B13R2.449 CCOc1cc2ccoc2cc1 Amb24071273 [0,0,0,1,1,0|2,0,0]=4 2271 B13R2.449 CCOc1ccc2[nH]ccc2[n]1 Amb20171476 [0,0,0,1,1,0|2,0,0]=4 2272 B13R2.449 CCOc1ccc2c(c1)[nH]cc2 Amb15690705 [0,0,0,1,1,0|2,0,0]=4 2273 B13R2.3808 C[C@@H]/1NC(=O)\C1=C\c2ccc[s]2 Amb24599422 [0,0,0,1,1,0|2,0,0]=4 2274 B13R2.6970 O=C(C1CC1)\C=C\c2ccco2 Amb1033027 [0,0,0,1,1,0|2,0,0]=4 2275 B13R2.6970 O=C(\C=C\c1cc[nH]c1)N2CC2 Amb25380930 [0,0,0,1,1,0|2,0,0]=4 2276 B13R2.6970 O=C(\C=C\c1cc[s]c1)C2CC2 Amb25669964 [0,0,0,1,1,0|2,0,0]=4 2277 B13R2.6970 O=C(\C=C\c1ccc[s]1)N2CC2 Amb25787138 [0,0,0,1,1,0|2,0,0]=4 2278 B15R2.31 O=C1C=C(CCO1)Nc2ccccc2 Amb22229530 [0,0,0,1,0,1|0,0,0]=2 2279 B15R2.31 O=C1C=C(Cc2ccccc2)CCN1 Amb24521279 [0,0,0,1,0,1|1,0,0]=3 2280 B15R2.31 O=C1CCCC(=C1)Cc2ccccc2 Amb10563347 [0,0,0,1,0,1|1,0,0]=3 2281 B15R2.31 O=C1CCCC(=C1)Nc2c[n]ccc2 Amb25224358 [0,0,0,1,0,1|2,0,0]=4 2282 B15R2.31 O=C1CCCC(=C1)Oc2ccccc2 Amb10565290 [0,0,0,1,0,1|1,0,0]=3 2283 B15R2.31 O=C1CCCC(=C1)Sc2ccccc2 Amb10565289 [0,0,0,1,0,1|1,0,0]=3 2284 B15R2.31 O=C1CCCC(Cc2cc[n]cc2)=C1 Amb25664054 [0,0,0,1,0,1|2,0,0]=4 2285 B15R2.31 O=C1CCC\C(=C/c2ccccc2)\N1 Amb25349405 [0,0,0,1,0,1|1,0,0]=3 2286 B15R2.31 O=C1CCC\C(=C\c2ccccc2)\N1 Amb24613563 [0,0,0,1,0,1|1,0,0]=3 2287 B15R2.31 O=C1CN(Cc2ccccc2)CCO1 Amb22490281 [0,0,0,1,0,1|0,0,2]=4 2288 B15R2.31 O=C1CSCC(=C1)Nc2ccccc2 Amb25704147 [0,0,0,1,0,1|2,0,0]=4 2289 B15R2.31 O=C1N\C(\CCS1)=N\c2ccccc2 Amb25183282 [0,0,0,1,0,1|1,1,0]=4 2290 B15R2.55 O=C/1CCC\C1=N\Nc2ccccc2 Amb19960024 [0,0,0,1,0,1|2,0,0]=4 2291 B15R2.55 O=C/1OCC\C1=C/Nc2ccccc2 Amb24664390 [0,0,0,1,0,1|0,0,0]=2 2292 B15R2.55 O=C/1OCC\C1=C/Sc2ccccc2 Amb25359965 [0,0,0,1,0,1|0,0,0]=2 2293 B15R2.55 O=C/1OCC\C1=N/Nc2ccccc2 Amb24595535 [0,0,0,1,0,1|1,0,0]=3 2294 B15R2.55 O=C1NCCN1\N=C\c2ccccc2 Amb25103681 [0,0,0,1,0,1|2,0,0]=4 2295 B15R2.55 O=C1OCC=C1CNc2ccccc2 Amb25664197 [0,0,0,1,0,1|0,0,2]=4 2296 B15R2.55 O=C1OCCC1=NNc2ccccc2 Amb22443452 [0,0,0,1,0,1|1,0,0]=3 2297 B15R2.55 O=C1OCCN1\N=C\c2ccccc2 Amb1801019 [0,0,0,1,0,1|1,0,0]=3 2298 B15R2.66 CCCc1[nH]c(c[n]1)-c2ccccc2 Amb25072584 [0,0,0,1,0,1|2,0,0]=4 2299 B15R2.66 CCCc1[n]cc([s]1)-c2ccccc2 Amb25132072 [0,0,0,1,0,1|1,1,0]=4 2300 B15R2.66 CCCc1cc[n]([n]1)-c2ccccc2 Amb24059383 [0,0,0,1,0,1|2,0,0]=4 2301 B15R2.66 CCNc1[n]c(co1)-c2ccccc2 Amb22271127 [0,0,0,1,0,1|2,0,0]=4 2302 B15R2.66 CCNc1[n]cc([s]1)-c2ccccc2 Amb19000650 [0,0,0,1,0,1|1,1,0]=4 2303 B15R2.66 CCNc1[n]cc(o1)-c2ccccc2 Amb24337663 [0,0,0,1,0,1|1,0,1]=4 2304 B15R2.66 CCNc1c[s]c(c1)-c2ccccc2 Amb25142042 [0,0,0,1,0,1|2,0,0]=4 2305 B15R2.66 CCOc1c[nH]c([n]1)-c2ccccc2 Amb25047297 [0,0,0,1,0,1|1,0,0]=3 2306 B15R2.66 CCOc1cc([nH][n]1)-c2ccccc2 Amb25246829 [0,0,0,1,0,1|2,0,0]=4 2307 B15R2.66 CCOc1cc([n][s]1)-c2ccccc2 Amb24071290 [0,0,0,1,0,1|2,0,0]=4 2308 B15R2.66 CCOc1cc[n]([n]1)-c2cccc[n]2 Amb24086559 [0,0,0,1,0,1|2,0,0]=4 2309 B15R2.66 CCOc1cnc(o1)c2ccccc2 Amb2415645 [0,0,0,1,0,1|0,0,1]=3 2310 B15R2.66 CCOc1onc(c1)c2ccccc2 Amb10566722 [0,0,0,1,0,1|2,0,0]=4 2311 B15R2.66 CCSc1[nH]cc([n]1)-c2ccccc2 Amb25725949 [0,0,0,1,0,1|1,1,0]=4 2312 B15R2.73 CCCC(=O)c1coc2ccccc12 Amb25071288 [0,0,0,1,0,1|1,0,0]=3 2313 B15R2.73 CCNC(=N)c1coc2ccccc12 Amb25048049 [0,0,0,1,0,1|2,0,0]=4 2314 B15R2.73 CCNC(=O)c1c[n][n]2ccccc21 Amb25671909 [0,0,0,1,0,1|2,0,0]=4 2315 B15R2.73 CCNC(=O)c1c[s]c2ccccc12 Amb24335987 [0,0,0,1,0,1|1,0,0]=3 2316 B15R2.73 CCNC(=O)c1coc2ccccc12 Amb24586249 [0,0,0,1,0,1|1,0,0]=3 2317 B15R2.73 CCNC(=S)[n]1ccc2ccccc12 Amb25828429 [0,0,0,1,0,1|1,1,0]=4 2318 B15R2.73 CCOC(=N)[n]1c[n]c2ccccc12 Amb24078478 [0,0,0,1,0,1|2,0,0]=4 2319 B15R2.73 CCOC(=N)c1c[s]c2ccccc12 Amb25697376 [0,0,0,1,0,1|1,0,0]=3 2320 B15R2.73 CCOC(=O)C1=NCc2c1cccc2 Amb16237309 [0,0,0,1,0,1|0,0,1]=3 2321 B15R2.73 CCOC(=O)C1CNc2ccccc21 Amb22276114 [0,0,0,1,0,1|0,0,2]=4 2322 B15R2.73 CCOC(=O)C1CNc2ccccc21 Amb25775070 [0,0,0,1,0,1|0,0,2]=4 2323 B15R2.73 CCOC(=O)C1COc2ccccc21 Amb22059418 [0,0,0,1,0,1|0,0,2]=4 2324 B15R2.73 CCOC(=O)C1NCc2ccccc21 Amb22750001 [0,0,0,1,0,1|0,0,2]=4 2325 B15R2.73 CCOC(=O)[C@@H]1CNc2ccccc21 Amb22744934 [0,0,0,1,0,1|0,0,2]=4 2326 B15R2.73 CCOC(=O)[n]1c[n]c2ccccc12 Amb24078481 [0,0,0,1,0,1|1,0,0]=3 2327 B15R2.73 CCOC(=O)[n]1ccc2ccccc12 Amb24090347 [0,0,0,1,0,1|0,0,0]=2 2328 B15R2.73 CCOC(=O)c1[nH]cc2CC=CCc21 Amb24184135 [0,0,0,1,0,1|0,0,2]=4 2329 B15R2.73 CCOC(=O)c1[n][nH]c2[n]cccc12 Amb22497953 [0,0,0,1,0,1|2,0,0]=4 2330 B15R2.73 CCOC(=O)c1[n][nH]c2c[n]ccc21 Amb20241405 [0,0,0,1,0,1|2,0,0]=4 2331 B15R2.73 CCOC(=O)c1[n][nH]c2cc[n]cc21 Amb24055779 [0,0,0,1,0,1|2,0,0]=4 2332 B15R2.73 CCOC(=O)c1[n][nH]c2ccc[n]c21 Amb21960743 [0,0,0,1,0,1|2,0,0]=4 2333 B15R2.73 CCOC(=O)c1[n][n][n]2ccccc21 Amb25037693 [0,0,0,1,0,1|2,0,0]=4 2334 B15R2.73 CCOC(=O)c1[n][n]c2cccc[n]21 Amb25735941 [0,0,0,1,0,1|2,0,0]=4 2335 B15R2.73 CCOC(=O)c1[n][s]c2ccccc21 Amb25676510 [0,0,0,1,0,1|1,0,0]=3 2336 B15R2.73 CCOC(=O)c1[n]c[n]2cc[n]cc21 Amb25041465 [0,0,0,1,0,1|2,0,0]=4 2337 B15R2.73 CCOC(=O)c1[n]c[n]2ccccc21 Amb21857852 [0,0,0,1,0,1|1,0,0]=3 2338 B15R2.73 CCOC(=O)c1[n]cc2c[n]cc[n]21 Amb24098087 [0,0,0,1,0,1|2,0,0]=4 2339 B15R2.73 CCOC(=O)c1[n]cc2cccc[n]21 Amb22000980 [0,0,0,1,0,1|1,0,0]=3 2340 B15R2.73 CCOC(=O)c1[n]oc2[n]cccc12 Amb25851412 [0,0,0,1,0,1|2,0,0]=4 2341 B15R2.73 CCOC(=O)c1[n]oc2ccccc12 Amb19889830 [0,0,0,1,0,1|1,0,0]=3 2342 B15R2.73 CCOC(=O)c1c[nH]c2[n]c[n]cc12 Amb22500640 [0,0,0,1,0,1|2,0,0]=4 2343 B15R2.73 CCOC(=O)c1c[nH]c2[n]cccc12 Amb23400982 [0,0,0,1,0,1|1,0,0]=3 2344 B15R2.73 CCOC(=O)c1c[nH]c2c[n]c[n]c21 Amb25275812 [0,0,0,1,0,1|2,0,0]=4 2345 B15R2.73 CCOC(=O)c1c[nH]c2cc[n]cc21 Amb22898945 [0,0,0,1,0,1|1,0,0]=3 2346 B15R2.73 CCOC(=O)c1c[nH]c2ccc[n]c12 Amb22898944 [0,0,0,1,0,1|1,0,0]=3 2347 B15R2.73 CCOC(=O)c1c[n][n]2[n]cccc21 Amb24330762 [0,0,0,1,0,1|2,0,0]=4 2348 B15R2.73 CCOC(=O)c1c[n][n]2cc[n]cc21 Amb22886646 [0,0,0,1,0,1|2,0,0]=4 2349 B15R2.73 CCOC(=O)c1c[n]c2c[n]cc[n]12 Amb23401670 [0,0,0,1,0,1|2,0,0]=4 2350 B15R2.73 CCOC(=O)c1c[n]c2cc[n]c[n]12 Amb22886598 [0,0,0,1,0,1|2,0,0]=4 2351 B15R2.73 CCOC(=O)c1ccc2ccc[n][n]21 Amb25765339 [0,0,0,1,0,1|2,0,0]=4 2352 B15R2.73 CCOC(=O)c1ccc2cccc[n]21 Amb23441244 [0,0,0,1,0,1|1,0,0]=3 2353 B15R2.73 CCOC(=O)c1cnc2ccccn12 Amb17935911 [0,0,0,1,0,1|1,0,0]=3 2354 B15R2.73 CCOC(=O)c1cnc2n1cccn2 Amb16230901 [0,0,0,1,0,1|2,0,0]=4 2355 B15R2.73 CCOC(=O)c1cnn2c1nccc2 Amb1945988 [0,0,0,1,0,1|2,0,0]=4 2356 B15R2.73 CCOC(=O)c1csc2[n+]1cccn2 Amb16202757 [0,0,0,1,0,1|2,0,0]=4 2357 B15R2.73 CCOC(=O)c1o[n]c2ccccc21 Amb25278650 [0,0,0,1,0,1|1,0,0]=3 2358 B15R2.73 CCO\C(\N)=C/1\C=Nc2ccccc12 Amb24587278 [0,0,0,1,0,1|1,0,0]=3 2359 B15R2.73 COCC(=O)c1c[s]c2ccccc12 Amb25245738 [0,0,0,1,0,1|2,0,0]=4 2360 B15R2.73 CONC(=O)c1coc2ccccc12 Amb25299032 [0,0,0,1,0,1|2,0,0]=4 2361 B15R2.73 CSCC(=O)c1c[nH]c2ccccc12 Amb25672284 [0,0,0,1,0,1|2,0,0]=4 2362 B15R2.73 CSCC(=O)c1c[s]c2ccccc12 Amb25089871 [0,0,0,1,0,1|2,0,0]=4 2363 B15R2.73 NCCC(=O)c1c[nH]c2c1cccc2 Amb17336007 [0,0,0,1,0,1|2,0,0]=4 2364 B15R2.73 O=C(CCCl)[n]1ccc2ccccc12 Amb24121350 [0,0,0,1,0,1|2,0,0]=4 2365 B15R2.73 O=C(CCCl)c1c[nH]c2ccccc12 Amb18055081 [0,0,0,1,0,1|2,0,0]=4 2366 B15R2.73 OCCC(=O)c1c[nH]c2ccccc12 Amb18564576 [0,0,0,1,0,1|2,0,0]=4 2367 B15R2.73 OCCC(=O)c1coc2ccccc12 Amb25699195 [0,0,0,1,0,1|2,0,0]=4 2368 B15R2.325 CC1OC(=O)CC1Sc2ccccc2 Amb25778052 [0,0,0,1,0,1|0,0,2]=4 2369 B15R2.325 CC1OC(=O)NC1Cc2ccccc2 Amb25840945 [0,0,0,1,0,1|0,0,2]=4 2370 B15R2.325 O=C/1OC(=O)C\C1=C/c2ccccc2 Amb17470692 [0,0,0,1,0,1|1,0,1]=4 2371 B15R2.325 O=C/1OC(=O)N\C1=C\c2ccccc2 Amb25235728 [0,0,0,1,0,1|1,0,1]=4 2372 B15R2.325 O=C1C=C(Oc2ccccc2)C(=O)O1 Amb23556176 [0,0,0,1,0,1|1,0,1]=4 2373 B15R2.325 OC/1CC(=O)N\C1=C/c2ccccc2 Amb25234765 [0,0,0,1,0,1|2,0,0]=4 2374 B15R2.389 CC1NC(=O)NN=C1c2ccccc2 Amb24393461 [0,0,0,1,0,1|2,0,0]=4 2375 B15R2.389 CC=1NC(=O)C=NC1c2ccccc2 Amb24574670 [0,0,0,1,0,1|1,0,1]=4 2376 B15R2.548 O=C1CCC(CCO1)c2ccccc2 Amb22337540 [0,0,0,1,0,1|0,0,2]=4 2377 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1c2ccccc2 Amb10075604 [0,0,0,1,0,1|0,0,2]=4 2378 B15R2.1342 CCOC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb24080019 [0,0,0,1,0,1|0,0,2]=4 2379 B15R2.2349 CCC1C(=O)NN=C1c2ccccc2 Amb22355911 [0,0,0,1,0,1|2,0,0]=4 2380 B15R2.2349 CC[n+]1c(C)scc1c2ccccc2 Amb1395720 [0,0,0,1,0,1|2,0,0]=4 2381 B15R2.2349 CC[n+]1c(C)scc1c2ccccc2 Amb2566275 [0,0,0,1,0,1|2,0,0]=4 2382 B15R2.2349 CC[n]1c(N)[n]cc1-c2ccccc2 Amb22033158 [0,0,0,1,0,1|2,0,0]=4 2383 B15R2.2349 CCn1c(=S)scc1c2ccccc2 Amb10553612 [0,0,0,1,0,1|1,1,0]=4 2384 B15R2.2349 CCn1c(C)ccc1c2ccccc2 Amb17234204 [0,0,0,1,0,1|2,0,0]=4 2385 B15R2.2349 CCn1c(Cl)cnc1c2ccccc2 Amb13881800 [0,0,0,1,0,1|2,0,0]=4 2386 B15R2.2349 CCn1c(S)ncc1c2ccccc2 Amb2319164 [0,0,0,1,0,1|1,1,0]=4 2387 B15R2.2349 Cc1[nH]cc(c1CC)-c2ccccc2 Amb25804685 [0,0,0,1,0,1|2,0,0]=4 2388 B15R2.27 CC1=CC(=CC(=O)O1)c2ccccc2 Amb20247497 [0,1,0,1,0,0|0,0,1]=3 2389 B15R2.27 CC1=CC(=O)C=C(N1)c2ccccc2 Amb22480153 [0,1,0,1,0,0|1,0,1]=4 2390 B15R2.27 CC1=CC(=O)C=C(O1)c2ccccc2 Amb21994249 [0,1,0,1,0,0|1,0,1]=4 2391 B15R2.27 CC1C=C(NC(=O)N1)c2ccccc2 Amb25082850 [0,1,0,1,0,0|2,0,0]=4 2392 B15R2.27 CC1CC(=CC(=O)C1)c2ccccc2 Amb25830998 [0,1,0,1,0,0|1,0,0]=3 2393 B15R2.27 CC1CC(NC(=O)O1)c2ccccc2 Amb25324486 [0,1,0,1,0,0|1,0,1]=4 2394 B15R2.27 CC=1NC(=O)C=C(N1)c2ccccc2 Amb18372453 [0,1,0,1,0,0|1,0,1]=4 2395 B15R2.27 C[C@H]1C[C@@H](NC(=O)O1)c2ccccc2 Amb24622508 [0,1,0,1,0,0|1,0,1]=4 2396 B15R2.27 O=C1C=C(C=C(Cl)O1)c2ccccc2 Amb22455065 [0,1,0,1,0,0|0,0,2]=4 2397 B15R2.27 O=c1cc(nc([nH]1)C)c2ccccc2 Amb1771299 [0,1,0,1,0,0|1,0,1]=4 2398 B15R2.27 [O-]C1=CC(=CC(=O)O1)c2ccccc2 Amb22434639 [0,1,0,1,0,0|0,0,2]=4 2399 B15R2.395 NC=1CCCC1C(=O)c2ccccc2 Amb24498295 [0,1,0,1,0,0|2,0,0]=4 2400 B15R2.395 O=C(C1CCOC1=O)c2cccc[n]2 Amb25357201 [0,1,0,1,0,0|1,0,1]=4 2401 B15R2.395 O=C(C1CCOC1=O)c2ccccc2 Amb10809127 [0,1,0,1,0,0|0,0,1]=3 2402 B15R2.395 O=C(N1CCNC1=O)c2ccccc2 Amb1645133 [0,1,0,1,0,0|2,0,0]=4 2403 B15R2.395 O=C1OCCC1=C(Br)c2ccccc2 Amb22486271 [0,1,0,1,0,0|0,0,0]=2 2404 B15R2.395 O=C1OCCC1C(=O)c2cccnc2 Amb17612996 [0,1,0,1,0,0|1,0,1]=4 2405 B15R2.395 OC(C1CCOC1=O)c2ccccc2 Amb25845261 [0,1,0,1,0,0|0,0,2]=4 2406 B15R2.395 O[C@H]([C@@H]1CCOC1=O)c2ccccc2 Amb25176652 [0,1,0,1,0,0|0,0,2]=4 2407 B15R2.543 CC1=CC(=NCCN1)c2ccccc2 Amb25268187 [0,1,0,1,0,0|2,0,0]=4 2408 B15R2.543 CC=1C=C(NCCN1)c2ccccc2 Amb25312125 [0,1,0,1,0,0|2,0,0]=4 2409 B15R2.543 ClC=1C=C(NCCN1)c2ccccc2 Amb24356016 [0,1,0,1,0,0|2,0,0]=4 2410 B15R2.543 O=C1C=C(SCCN1)c2ccccc2 Amb24598262 [0,1,0,1,0,0|1,0,0]=3 2411 B15R2.543 O=C1CC(=NCCN1)c2ccccc2 Amb25165904 [0,1,0,1,0,0|1,0,1]=4 2412 B15R2.543 O=C1CCCCC(=C1)c2c[n]ccc2 Amb25801579 [0,1,0,1,0,0|2,0,0]=4 2413 B15R2.543 O=C1NOCC=C(N1)c2ccccc2 Amb24587116 [0,1,0,1,0,0|1,0,1]=4 2414 B15R2.886 CCCC1=CC(=O)c2ccccc2N1 Amb19046468 [0,1,0,1,0,0|2,0,0]=4 2415 B15R2.886 CCCc1cc(N)c2c(n1)cccc2 Amb10240884 [0,1,0,1,0,0|2,0,0]=4 2416 B15R2.886 CCCc1cc2ccccc2c(N)c1 Amb25374124 [0,1,0,1,0,0|2,0,0]=4 2417 B15R2.886 CCOC1=CC(=O)c2ccccc2O1 Amb24756792 [0,1,0,1,0,0|0,0,1]=3 2418 B15R2.886 CCOC1=Nc2ccccc2C(=O)O1 Amb21927635 [0,1,0,1,0,0|2,0,0]=4 2419 B15R2.886 CCOC=1NC(=O)c2ccccc2N1 Amb21948875 [0,1,0,1,0,0|2,0,0]=4 2420 B15R2.886 CCOc1cc(N)c2[n]cccc2[n]1 Amb18650178 [0,1,0,1,0,0|2,0,0]=4 2421 B15R2.886 CCOc1cc(N)c2[n]cccc2c1 Amb22899686 [0,1,0,1,0,0|2,0,0]=4 2422 B15R2.886 CCOc1cc(N)c2ccccc2[n]1 Amb18649921 [0,1,0,1,0,0|1,0,0]=3 2423 B15R2.886 CCOc1cc(O)c2[n]cccc2c1 Amb25233781 [0,1,0,1,0,0|2,0,0]=4 2424 B15R2.886 CCOc1cc(O)c2ccccc2[n]1 Amb18650121 [0,1,0,1,0,0|1,0,0]=3 2425 B15R2.886 CCOc1cc(S)c2[n]cccc2c1 Amb24071951 [0,1,0,1,0,0|2,0,0]=4 2426 B15R2.886 CCOc1cc2ccccc2c(Br)[n]1 Amb25360349 [0,1,0,1,0,0|2,0,0]=4 2427 B15R2.886 CCOc1cc2ccccc2c(N)[n]1 Amb18649915 [0,1,0,1,0,0|2,0,0]=4 2428 B15R2.886 CCOc1nc2ccccc2c(=O)[nH]1 Amb16204072 [0,1,0,1,0,0|2,0,0]=4 2429 B15R2.886 Cc1[n]c([n]c2ccccc12)OCC Amb25208736 [0,1,0,1,0,0|2,0,0]=4 2430 B15R2.886 Cc1cc(NCC)[n]c2ccccc12 Amb25793842 [0,1,0,1,0,0|2,0,0]=4 2431 B15R2.1259 N\C(=C\C1=NCCO1)\c2cc[n]cc2 Amb25339624 [0,1,0,1,0,0|2,0,0]=4 2432 B15R2.1259 N\C(=C\C1=NCCO1)\c2cccc[n]2 Amb25179213 [0,1,0,1,0,0|2,0,0]=4 2433 B15R2.1259 O=C(C=C1SCCS1)c2ccccc2 Amb21951869 [0,1,0,1,0,0|0,2,0]=4 2434 B15R2.1259 O=C(NC1=NCCO1)c2ccccc2 Amb25691433 [0,1,0,1,0,0|2,0,0]=4 2435 B15R2.1259 O=C(\C=C/1\CCCN1)c2ccccc2 Amb24400445 [0,1,0,1,0,0|2,0,0]=4 2436 B15R2.1259 O=C(\C=C/1\CCCO1)c2ccccc2 Amb25823730 [0,1,0,1,0,0|1,0,0]=3 2437 B15R2.1259 O=C(\C=C\1/NCCO1)c2cccc[n]2 Amb24393423 [0,1,0,1,0,0|2,0,0]=4 2438 B15R2.1259 O=C(\C=C\1/NCCS1)c2ccccc2 Amb24311851 [0,1,0,1,0,0|1,1,0]=4 2439 B15R2.2248 CCC1N=C(NC1=O)c2ccccc2 Amb24405563 [0,1,0,1,0,0|2,0,0]=4 2440 B15R2.2248 CCN1N=C(CC1=O)c2ccccc2 Amb19059795 [0,1,0,1,0,0|1,0,1]=4 2441 B15R2.2248 CC[n]1[n]c(cc1N)-c2ccccc2 Amb18952958 [0,1,0,1,0,0|2,0,0]=4 2442 B15R2.2248 CCn1oc(cc1=O)c2ccccc2 Amb10553541 [0,1,0,1,0,0|1,0,0]=3 2443 B15R2.2248 Cc1cc([nH]c1CC)-c2ccccc2 Amb24474135 [0,1,0,1,0,0|2,0,0]=4 2444 B15R2.6124 CC1=CC(=S)c2ccccc2N1CC Amb21862720 [0,1,0,1,0,0|2,0,0]=4 2445 B15R2.6124 CCC1c2ccccc2C(=O)OC1=O Amb23580672 [0,1,0,1,0,0|2,0,0]=4 2446 B15R2.6124 CCN1C(=O)C=C(Cl)c2ccccc12 Amb22463202 [0,1,0,1,0,0|1,0,0]=3 2447 B15R2.6124 CCN1C(=O)C=C(N)c2[n]cccc12 Amb18650200 [0,1,0,1,0,0|2,0,0]=4 2448 B15R2.6124 CCN1C(=O)C=C(O)c2ccc[n]c12 Amb20660821 [0,1,0,1,0,0|2,0,0]=4 2449 B15R2.6124 CCN1C(=O)C=C(O)c2ccccc12 Amb19517249 [0,1,0,1,0,0|1,0,0]=3 2450 B15R2.6124 CCN1C(=O)N=C(N)c2ccccc12 Amb24506507 [0,1,0,1,0,0|2,0,0]=4 2451 B15R2.6124 CCN1c2ccccc2C(=O)NC1=O Amb19651650 [0,1,0,1,0,0|2,0,0]=4 2452 B15R2.6124 CCN1c2ccccc2C(=O)OC1=O Amb18533334 [0,1,0,1,0,0|2,0,0]=4 2453 B15R2.6124 CCc1c2ccccc2c(N)cc1N Amb25232517 [0,1,0,1,0,0|2,0,0]=4 2454 B15R2.6124 CCn1c(=O)cc(c2c1cccc2)O Amb2387356 [0,1,0,1,0,0|1,0,0]=3 2455 B15R2.6124 CCn1c(C)cc(=O)c2c1cccc2 Amb10976741 [0,1,0,1,0,0|2,0,0]=4 2456 B15R2.6124 Cc1cc(N)c2ccccc2c1CC Amb24451126 [0,1,0,1,0,0|2,0,0]=4 2457 B15R2.41154 N\C(=C\C(=O)C1CC1)\c2cc[n]cc2 Amb25321882 [0,1,0,1,0,0|2,0,0]=4 2458 B15R2.41154 N\C(=C\C(=O)C1CC1)\c2cccc[n]2 Amb24373847 [0,1,0,1,0,0|2,0,0]=4 2459 B15R2.41154 O=C(NC(=O)C1CC1)c2ccccc2 Amb24072671 [0,1,0,1,0,0|2,0,0]=4 2460 B15R2.30 Cc1cc(ccc1)C2CCOC(=O)N2 Amb25680551 [0,1,0,1,0,0|1,0,1]=4 2461 B15R2.30 Cc1cc(ccc1)[C@@H]2CCOC(=O)N2 Amb25251515 [0,1,0,1,0,0|1,0,1]=4 2462 B15R2.30 Cc1cc(ccc1)[C@H]2CCOC(=O)N2 Amb25775919 [0,1,0,1,0,0|1,0,1]=4 2463 B15R2.30 Nc1cc(ccc1)C=2CCCC(=O)C2 Amb25266354 [0,1,0,1,0,0|1,0,0]=3 2464 B15R2.30 O=C1CCCC(=C1)c2c[n]cc(F)c2 Amb25050872 [0,1,0,1,0,0|2,0,0]=4 2465 B15R2.30 O=C1CCCC(=C1)c2cc(Cl)ccc2 Amb24657106 [0,1,0,1,0,0|1,0,0]=3 2466 B15R2.30 O=C1CCCC(=C1)c2cc(F)ccc2 Amb25080289 [0,1,0,1,0,0|1,0,0]=3 2467 B15R2.30 O=C1NC(CCO1)c2cccc(Br)c2 Amb25343545 [0,1,0,1,0,0|1,0,1]=4 2468 B15R2.30 O=C1NC(CCO1)c2cccc(Cl)c2 Amb25048485 [0,1,0,1,0,0|1,0,1]=4 2469 B15R2.30 O=C1NC(CCO1)c2cccc(F)c2 Amb24672741 [0,1,0,1,0,0|1,0,1]=4 2470 B15R2.30 O=C1N[C@H](CCO1)c2cccc(F)c2 Amb25692210 [0,1,0,1,0,0|1,0,1]=4 2471 B15R2.30 Oc1cc(ccc1)[C@H]2CCOC(=O)N2 Amb25754091 [0,1,0,1,0,0|1,0,1]=4 2472 B15R2.334 CC1OC(=O)NC1c2cccc(Br)c2 Amb24764248 [0,1,0,1,0,0|1,0,1]=4 2473 B15R2.334 CC1OC(=O)NC1c2cccc(F)c2 Amb25228501 [0,1,0,1,0,0|1,0,1]=4 2474 B15R2.334 CC1OC(=O)NC1c2cccc(I)c2 Amb24627263 [0,1,0,1,0,0|1,0,1]=4 2475 B15R2.334 CC1OC(=O)NC1c2cccc(O)c2 Amb25269624 [0,1,0,1,0,0|1,0,1]=4 2476 B15R2.334 C[C@@H]1OC(=O)N[C@@H]1c2cccc(Br)c2 Amb24598924 [0,1,0,1,0,0|1,0,1]=4 2477 B15R2.334 C[C@H]1OC(=O)N[C@H]1c2cccc(Cl)c2 Amb25377833 [0,1,0,1,0,0|1,0,1]=4 2478 B15R2.334 C[C@H]1OC(=O)N[C@H]1c2cccc(F)c2 Amb24617342 [0,1,0,1,0,0|1,0,1]=4 2479 B15R2.334 C[C@H]1OC(=O)N[C@H]1c2cccc(O)c2 Amb25366568 [0,1,0,1,0,0|1,0,1]=4 2480 B15R2.334 Cc1cc(-c2cc(N)ccc2)c(C)o1 Amb18945074 [0,1,0,1,0,0|1,0,1]=4 2481 B15R2.334 Cc1cc(ccc1)C2NC(=O)OC2C Amb24558729 [0,1,0,1,0,0|1,0,1]=4 2482 B15R2.334 Cc1cc(ccc1)[C@@H]2NC(=O)O[C@@H]2C Amb24597123 [0,1,0,1,0,0|1,0,1]=4 2483 B15R2.334 O=C1C=C(c2cc(Cl)ccc2)C(=O)O1 Amb23441685 [0,1,0,1,0,0|1,0,1]=4 2484 B15R2.334 O=C1C=C(c2cc(F)ccc2)C(=O)O1 Amb23441684 [0,1,0,1,0,0|1,0,1]=4 2485 B15R2.335 Cc1cc(ccc1)NC2CCOC2=O Amb25838611 [0,1,0,1,0,0|1,0,1]=4 2486 B15R2.335 Nc1cc(CC2CCOC2=O)ccc1 Amb24546397 [0,1,0,1,0,0|0,0,2]=4 2487 B15R2.335 O=C1OCCC1=Cc2cc(Br)ccc2 Amb22447575 [0,1,0,1,0,0|0,0,0]=2 2488 B15R2.335 O=C1OCCC1Nc2cccc(Br)c2 Amb24349142 [0,1,0,1,0,0|1,0,1]=4 2489 B15R2.335 O=C1OCCC1Nc2cccc(I)c2 Amb25131050 [0,1,0,1,0,0|1,0,1]=4 2490 B15R2.335 O=C1OCCN1Cc2cccc(Br)c2 Amb25663886 [0,1,0,1,0,0|1,0,1]=4 2491 B15R2.335 Oc1cc(\C=C\2/CCCC2=O)ccc1 Amb25320126 [0,1,0,1,0,0|1,0,0]=3 2492 B15R2.335 Oc1cc(\C=C\2/CCOC2=O)ccc1 Amb24506324 [0,1,0,1,0,0|0,0,0]=2 2493 B15R2.1117 Clc1cc(ccc1)C=CC2=NCCS2 Amb21998692 [0,1,0,1,0,0|1,1,0]=4 2494 B15R2.1117 Nc1cc(\C=C\C2CCCO2)ccc1 Amb25193335 [0,1,0,1,0,0|1,0,1]=4 2495 B15R2.1290 CCCc1ccc2cccc(O)c2[n]1 Amb25735753 [0,1,0,1,0,0|2,0,0]=4 2496 B15R2.1290 CCNc1cc2c(O)cccc2cc1 Amb24440170 [0,1,0,1,0,0|2,0,0]=4 2497 B15R2.1290 CCNc1ccc2cccc(Br)c2[n]1 Amb25098068 [0,1,0,1,0,0|2,0,0]=4 2498 B15R2.1290 CCNc1ccc2cccc(Cl)c2[n]1 Amb24335943 [0,1,0,1,0,0|2,0,0]=4 2499 B15R2.1290 CCNc1ccc2cccc(I)c2[n]1 Amb25740105 [0,1,0,1,0,0|2,0,0]=4 2500 B15R2.1290 CCOC=1Cc2c(N)cccc2CC1 Amb22490514 [0,1,0,1,0,0|1,0,1]=4 2501 B15R2.1290 CCOc1cc2C(=O)C=CNc2cc1 Amb19047360 [0,1,0,1,0,0|2,0,0]=4 2502 B15R2.1290 CCOc1cc2C(=O)NC=Cc2cc1 Amb24446932 [0,1,0,1,0,0|2,0,0]=4 2503 B15R2.1290 CCOc1cc2C(=S)C=CNc2cc1 Amb24111607 [0,1,0,1,0,0|2,0,0]=4 2504 B15R2.1290 CCOc1ccc2[n]ccc(Cl)c2[n]1 Amb22490619 [0,1,0,1,0,0|2,0,0]=4 2505 B15R2.1290 CCOc1ccc2c(c1)c(Cl)ccn2 Amb1994631 [0,1,0,1,0,0|2,0,0]=4 2506 B15R2.1290 CCOc1ccc2c(c1)c(N)ccn2 Amb1994595 [0,1,0,1,0,0|2,0,0]=4 2507 B15R2.1290 CCOc1ccc2c(c1)c(O)ccn2 Amb1994852 [0,1,0,1,0,0|2,0,0]=4 2508 B15R2.1290 Cc1cc[n]c2ccc(cc12)OCC Amb18354497 [0,1,0,1,0,0|2,0,0]=4 2509 B15R2.1290 Cc1cccc2ccc([n]c12)OCC Amb20171156 [0,1,0,1,0,0|1,0,0]=3 2510 B15R2.5773 Cc1cc2C=CC(=S)N(CC)c2cc1 Amb20249624 [0,1,0,1,0,0|1,1,0]=4 2511 B15R2.10252 CCCc1ccc2cc(Cl)ccc2[n]1 Amb24608136 [0,1,0,1,0,0|2,0,0]=4 2512 B15R2.10252 CCNc1ccc2cc(Br)ccc2[n]1 Amb24335906 [0,1,0,1,0,0|2,0,0]=4 2513 B15R2.10252 CCNc1ccc2cc(Cl)ccc2[n]1 Amb24462156 [0,1,0,1,0,0|2,0,0]=4 2514 B15R2.10252 CCOC1C=Cc2cc(Br)ccc2O1 Amb24084265 [0,1,0,1,0,0|0,0,2]=4 2515 B15R2.10252 CCOc1c[n]c2cc(Cl)ccc2[n]1 Amb22460983 [0,1,0,1,0,0|2,0,0]=4 2516 B15R2.10252 CCOc1cc2C=CC(=O)Nc2cc1 Amb18546024 [0,1,0,1,0,0|2,0,0]=4 2517 B15R2.10252 CCOc1cc2C=CC(=S)Oc2cc1 Amb24100737 [0,1,0,1,0,0|2,0,0]=4 2518 B15R2.10252 CCOc1cc2[n]cc(Br)cc2cc1 Amb24637031 [0,1,0,1,0,0|2,0,0]=4 2519 B15R2.10252 CCOc1cc2[n]cc(N)cc2cc1 Amb23580255 [0,1,0,1,0,0|2,0,0]=4 2520 B15R2.10252 CCOc1cc2c[n]c(Cl)cc2cc1 Amb25715595 [0,1,0,1,0,0|2,0,0]=4 2521 B15R2.10252 CCOc1cc2ccc(Cl)[n]c2cc1 Amb23449334 [0,1,0,1,0,0|2,0,0]=4 2522 B15R2.10252 CCOc1cc2ccc(N)[n]c2cc1 Amb24474585 [0,1,0,1,0,0|2,0,0]=4 2523 B15R2.10252 CCOc1ccc2c(c1)ccc(c2)Br Amb1482232 [0,1,0,1,0,0|1,0,0]=3 2524 B15R2.10252 CCOc1ccc2c(c1)ccc(c2)N Amb10070900 [0,1,0,1,0,0|1,0,0]=3 2525 B15R2.10252 CCOc1ccc2cc(Br)ccc2[n]1 Amb25705255 [0,1,0,1,0,0|1,0,0]=3 2526 B15R2.10252 Cc1cc2ccc(NCC)[n]c2cc1 Amb25355476 [0,1,0,1,0,0|2,0,0]=4 2527 B15R2.10252 ClCOc1cc2ccc(Br)cc2cc1 Amb25783596 [0,1,0,1,0,0|2,0,0]=4 2528 B15R2.15389 Oc1cc(\C=C\C(=O)C2CC2)ccc1 Amb24737187 [0,1,0,1,0,0|1,0,0]=3 2529 B15R2.36351 CCN1C(=O)C=Cc2cccc(N)c12 Amb25080048 [0,1,0,1,0,0|1,0,0]=3 2530 B15R2.36351 CCN1C(=O)C=Cc2cccc(O)c12 Amb25373022 [0,1,0,1,0,0|1,0,0]=3 2531 B15R2.32 O=C1C(=O)OCCN1c2ccccc2 Amb10064379 [0,1,0,1,0,0|1,0,0]=3 2532 B15R2.32 O=C1CCCN(c2ccccc2)C1=O Amb25223476 [0,1,0,1,0,0|2,0,0]=4 2533 B15R2.38 O=C/1C=CCC\C1=C/c2ccccc2 Amb2386555 [0,1,0,1,0,0|1,0,0]=3 2534 B15R2.38 O=C/1CCCC\C1=C/c2c[n]ccc2 Amb24598643 [0,1,0,1,0,0|2,0,0]=4 2535 B15R2.38 O=C/1CCCC\C1=C/c2ccccn2 Amb1486637 [0,1,0,1,0,0|2,0,0]=4 2536 B15R2.38 O=C/1CCCC\C1=C/c2ccncc2 Amb1486636 [0,1,0,1,0,0|2,0,0]=4 2537 B15R2.38 O=C/1CCCC\C1=C\c2c[n]ccc2 Amb25244737 [0,1,0,1,0,0|2,0,0]=4 2538 B15R2.38 O=C/1CCOC\C1=C/c2ccccc2 Amb25266768 [0,1,0,1,0,0|1,0,0]=3 2539 B15R2.38 O=C/1CCSC\C1=C/c2ccccc2 Amb25338444 [0,1,0,1,0,0|1,0,0]=3 2540 B15R2.38 O=C/1OCCN\C1=C/c2ccccc2 Amb24727191 [0,1,0,1,0,0|0,0,0]=2 2541 B15R2.38 O=C1CCCC=C1Nc2ccccc2 Amb24728356 [0,1,0,1,0,0|2,0,0]=4 2542 B15R2.38 O=C1COCC=C1Nc2ccccc2 Amb24658422 [0,1,0,1,0,0|1,0,1]=4 2543 B15R2.38 O=C1COCCN1Cc2ccccc2 Amb19943958 [0,1,0,1,0,0|1,0,1]=4 2544 B15R2.38 S=C/1NCCC\C1=C/c2ccccc2 Amb24375323 [0,1,0,1,0,0|1,1,0]=4 2545 B15R2.64 Br\C(=C\c1ccccc1)\C2OCCO2 Amb24605677 [0,1,0,1,0,0|0,0,2]=4 2546 B15R2.64 Cl\C(=C\c1ccccc1)\C2OCCO2 Amb24444953 [0,1,0,1,0,0|0,0,2]=4 2547 B15R2.64 O=C(Cc1ccccc1)C2=CCCO2 Amb25068682 [0,1,0,1,0,0|1,0,1]=4 2548 B15R2.212 CNC1=C(c2ccccc2)C(=O)C1=O Amb25181788 [0,1,0,1,0,0|2,0,0]=4 2549 B15R2.212 COC1=C(c2ccccc2)C(=O)C1=O Amb25167709 [0,1,0,1,0,0|2,0,0]=4 2550 B15R2.323 CC1=C(c2ccccc2)C(=O)OC1=O Amb22356878 [0,1,0,1,0,0|1,0,1]=4 2551 B15R2.323 CC1OC(=O)C(N)C1c2ccccc2 Amb25375708 [0,1,0,1,0,0|0,0,2]=4 2552 B15R2.323 CC1OC(=O)C(O)C1c2ccccc2 Amb24407547 [0,1,0,1,0,0|0,0,2]=4 2553 B15R2.323 CC=1C(=O)NN(C)C1c2ccccc2 Amb25821367 [0,1,0,1,0,0|2,0,0]=4 2554 B15R2.323 CC=1C(=O)ON(C)C1c2ccccc2 Amb22465990 [0,1,0,1,0,0|1,0,0]=3 2555 B15R2.323 C[C@H]1OC(=O)[C@@H](N)[C@@H]1c2ccccc2 Amb24697835 [0,1,0,1,0,0|0,0,2]=4 2556 B15R2.323 C[C@H]1OC(=O)[C@@H](N)[C@H]1c2ccccc2 Amb24739531 [0,1,0,1,0,0|0,0,2]=4 2557 B15R2.323 Cn1oc(=O)c(c1c2ccccc2)Br Amb10553801 [0,1,0,1,0,0|1,0,0]=3 2558 B15R2.323 Cn1oc(=O)c(c1c2ccccc2)C Amb10553611 [0,1,0,1,0,0|1,0,0]=3 2559 B15R2.323 O=C1OC(=O)C(Cl)=C1c2ccccc2 Amb25759707 [0,1,0,1,0,0|1,0,1]=4 2560 B15R2.405 CC1(CCOC1=O)Sc2ccccc2 Amb22479136 [0,1,0,1,0,0|1,0,1]=4 2561 B15R2.405 NC1(Cc2ccccc2)CCOC1=O Amb18650819 [0,1,0,1,0,0|0,0,2]=4 2562 B15R2.888 CCNc1cc2ccccc2cc1O Amb24358091 [0,1,0,1,0,0|2,0,0]=4 2563 B15R2.888 CCOC1=Cc2ccccc2NC1=O Amb25289170 [0,1,0,1,0,0|2,0,0]=4 2564 B15R2.888 CCOC1=Nc2ccccc2NC1=O Amb19651674 [0,1,0,1,0,0|2,0,0]=4 2565 B15R2.888 CCOc1[n]c2ccc[n]c2cc1N Amb18650177 [0,1,0,1,0,0|2,0,0]=4 2566 B15R2.888 CCOc1[n]c2ccccc2[n]c1Cl Amb20618617 [0,1,0,1,0,0|2,0,0]=4 2567 B15R2.888 CCOc1[n]c2ccccc2[n]c1N Amb18650168 [0,1,0,1,0,0|2,0,0]=4 2568 B15R2.888 CCOc1[n]c2ccccc2cc1N Amb25088447 [0,1,0,1,0,0|1,0,0]=3 2569 B15R2.888 CCOc1[n]c2ccccc2cc1O Amb24648936 [0,1,0,1,0,0|1,0,0]=3 2570 B15R2.888 CCOc1cc2ccc[n]c2cc1Br Amb23437332 [0,1,0,1,0,0|2,0,0]=4 2571 B15R2.888 CCOc1cc2ccccc2cc1Br Amb24578822 [0,1,0,1,0,0|1,0,0]=3 2572 B15R2.888 CCOc1cc2ccccc2cc1I Amb24517309 [0,1,0,1,0,0|1,0,0]=3 2573 B15R2.888 CCSc1[n]c2ccccc2cc1N Amb25311916 [0,1,0,1,0,0|1,1,0]=4 2574 B15R2.888 Cc1cc2ccccc2[n]c1NCC Amb25858954 [0,1,0,1,0,0|2,0,0]=4 2575 B15R2.1356 C=COC(=O)c1cc2ccccc2[s]1 Amb25270761 [0,1,0,1,0,0|0,0,2]=4 2576 B15R2.1356 CCCC(=O)c1[n]c2ccccc2[s]1 Amb25244798 [0,1,0,1,0,0|2,0,0]=4 2577 B15R2.1356 CCCC(=O)c1cc2ccccc2[s]1 Amb24683369 [0,1,0,1,0,0|1,0,0]=3 2578 B15R2.1356 CCCC(=O)c1cc2ccccc2o1 Amb19046924 [0,1,0,1,0,0|1,0,0]=3 2579 B15R2.1356 CCNC(=O)c1[n]c2ccccc2o1 Amb24392250 [0,1,0,1,0,0|2,0,0]=4 2580 B15R2.1356 CCNC(=O)c1cc2cccc[n]2c1 Amb25833341 [0,1,0,1,0,0|2,0,0]=4 2581 B15R2.1356 CCNC(=S)c1cc2ccccc2o1 Amb24374677 [0,1,0,1,0,0|1,1,0]=4 2582 B15R2.1356 CCOC(=N)c1[n]c2ccccc2[s]1 Amb24103522 [0,1,0,1,0,0|2,0,0]=4 2583 B15R2.1356 CCOC(=N)c1cc2ccccc2o1 Amb19060336 [0,1,0,1,0,0|1,0,0]=3 2584 B15R2.1356 CCOC(=N)c1cc2ccccc2o1 Amb22285046 [0,1,0,1,0,0|1,0,0]=3 2585 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2N1 Amb25726897 [0,1,0,1,0,0|1,0,1]=4 2586 B15R2.1356 CCOC(=O)C1Cc2ccccc2S1 Amb25123068 [0,1,0,1,0,0|0,0,2]=4 2587 B15R2.1356 CCOC(=O)C1Oc2ccccc2O1 Amb25694099 [0,1,0,1,0,0|1,0,1]=4 2588 B15R2.1356 CCOC(=O)c1[nH]c2[n]cccc2[n]1 Amb20407253 [0,1,0,1,0,0|2,0,0]=4 2589 B15R2.1356 CCOC(=O)c1[nH]c2c[n]ccc2[n]1 Amb25707318 [0,1,0,1,0,0|2,0,0]=4 2590 B15R2.1356 CCOC(=O)c1[n]c2[n]cccc2o1 Amb22234766 [0,1,0,1,0,0|2,0,0]=4 2591 B15R2.1356 CCOC(=O)c1[n]c2c[n]ccc2[s]1 Amb24453499 [0,1,0,1,0,0|2,0,0]=4 2592 B15R2.1356 CCOC(=O)c1[n]c2cc[n]cc2[s]1 Amb22749275 [0,1,0,1,0,0|2,0,0]=4 2593 B15R2.1356 CCOC(=O)c1[n]c2ccc[n]c2[s]1 Amb22491425 [0,1,0,1,0,0|2,0,0]=4 2594 B15R2.1356 CCOC(=O)c1[n]c2cccc[n]2[n]1 Amb22263753 [0,1,0,1,0,0|2,0,0]=4 2595 B15R2.1356 CCOC(=O)c1[n]c2ccccc2o1 Amb21858236 [0,1,0,1,0,0|1,0,0]=3 2596 B15R2.1356 CCOC(=O)c1c[n]2[n]cccc2[n]1 Amb22886620 [0,1,0,1,0,0|2,0,0]=4 2597 B15R2.1356 CCOC(=O)c1cc2[n]cc[n]c2[s]1 Amb22370973 [0,1,0,1,0,0|2,0,0]=4 2598 B15R2.1356 CCOC(=O)c1cc2[n]ccc[n]2[n]1 Amb22494680 [0,1,0,1,0,0|2,0,0]=4 2599 B15R2.1356 CCOC(=O)c1cc2c([nH]1)cccn2 Amb16233673 [0,1,0,1,0,0|1,0,0]=3 2600 B15R2.1356 CCOC(=O)c1cc2c([nH]1)ccnc2 Amb16233688 [0,1,0,1,0,0|1,0,0]=3 2601 B15R2.1356 CCOC(=O)c1cc2c([nH]1)cncc2 Amb16233677 [0,1,0,1,0,0|1,0,0]=3 2602 B15R2.1356 CCOC(=O)c1cc2c([nH]1)nccc2 Amb10069341 [0,1,0,1,0,0|1,0,0]=3 2603 B15R2.1356 CCOC(=O)c1cc2c[nH]ccc2[n]1 Amb24407915 [0,1,0,1,0,0|1,0,0]=3 2604 B15R2.1356 CCOC(=O)c1cc2c[n]c[n]c2[nH]1 Amb22497977 [0,1,0,1,0,0|2,0,0]=4 2605 B15R2.1356 CCOC(=O)c1cc2c[n]ccc2[nH]1 Amb22756243 [0,1,0,1,0,0|1,0,0]=3 2606 B15R2.1356 CCOC(=O)c1cc2c[n]ccc2o1 Amb25348537 [0,1,0,1,0,0|1,0,0]=3 2607 B15R2.1356 CCOC(=O)c1cc2cc[n]cc2[s]1 Amb24367158 [0,1,0,1,0,0|1,0,0]=3 2608 B15R2.1356 CCOC(=O)c1cc2cc[n]cc2o1 Amb21961280 [0,1,0,1,0,0|1,0,0]=3 2609 B15R2.1356 CCOC(=O)c1cc2ccc[n][n]2[n]1 Amb25853599 [0,1,0,1,0,0|2,0,0]=4 2610 B15R2.1356 CCOC(=O)c1cc2ccc[n]c2o1 Amb24081773 [0,1,0,1,0,0|1,0,0]=3 2611 B15R2.1356 CCOC(=O)c1cc2cccc[n]2c1 Amb24646842 [0,1,0,1,0,0|1,0,0]=3 2612 B15R2.1356 CCOC(=O)c1cn2c(n1)cncc2 Amb13883557 [0,1,0,1,0,0|2,0,0]=4 2613 B15R2.1356 CCOC(=O)c1cn2c(n1)nccc2 Amb2235933 [0,1,0,1,0,0|2,0,0]=4 2614 B15R2.1356 CCOC(=O)c1nc2n(c1)cccc2 Amb1107147 [0,1,0,1,0,0|1,0,0]=3 2615 B15R2.1356 CCOC(=O)c1nc2n(c1)cccc2 Amb17602733 [0,1,0,1,0,0|1,0,0]=3 2616 B15R2.1356 CCOS(=O)c1[nH]c2ccccc2[n]1 Amb25805984 [0,1,0,1,0,0|2,0,0]=4 2617 B15R2.1356 CONC(=O)c1cc2c(s1)cccc2 Amb16169870 [0,1,0,1,0,0|2,0,0]=4 2618 B15R2.1356 CONC(=O)c1cc2ccccc2o1 Amb25690040 [0,1,0,1,0,0|2,0,0]=4 2619 B15R2.1356 NCCC(=O)c1cc2ccccc2[nH]1 Amb18821026 [0,1,0,1,0,0|2,0,0]=4 2620 B15R2.1356 NCCC(=O)c1cc2ccccc2[s]1 Amb18782491 [0,1,0,1,0,0|2,0,0]=4 2621 B15R2.1356 NCCC(=O)c1cc2ccccc2o1 Amb18559435 [0,1,0,1,0,0|2,0,0]=4 2622 B15R2.6237 CCN1C(=O)C(N)=Cc2[n]cccc12 Amb18650201 [0,1,0,1,0,0|2,0,0]=4 2623 B15R2.6237 CCN1C(=O)C(N)=Cc2ccccc12 Amb22372129 [0,1,0,1,0,0|1,0,0]=3 2624 B15R2.6237 CCN1C(=O)C(O)=Nc2ccccc12 Amb19651675 [0,1,0,1,0,0|2,0,0]=4 2625 B15R2.6237 CC[n]1c(=O)c(Cl)cc2ccccc12 Amb24085900 [0,1,0,1,0,0|1,0,0]=3 2626 B15R2.16 CCC=1NC(=O)SC1c2ccccc2 Amb25664272 [0,1,0,1,0,0|2,0,0]=4 2627 B15R2.16 CCC=1OC(=O)NC1c2ccccc2 Amb25186078 [0,1,0,1,0,0|1,0,0]=3 2628 B15R2.16 CCC=1SC(=O)NC1c2ccccc2 Amb19372954 [0,1,0,1,0,0|1,1,0]=4 2629 B15R2.16 CC[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb25219860 [0,1,0,1,0,0|1,0,1]=4 2630 B15R2.16 CCc1oc(S)[n]c1-c2ccccc2 Amb25679857 [0,1,0,1,0,0|1,1,0]=4 2631 B15R2.16 NCC1OC(=O)NC1c2ccccc2 Amb24667668 [0,1,0,1,0,0|1,0,1]=4 2632 B15R2.16 O=C1C=C(C(=CF)O1)c2ccccc2 Amb24093737 [0,1,0,1,0,0|0,0,2]=4 2633 B15R2.16 O=C1C=C(\C(=C/F)\O1)c2ccccc2 Amb24667148 [0,1,0,1,0,0|0,0,2]=4 2634 B15R2.16 O=C1C=C(\C(=C\F)\O1)c2ccccc2 Amb22497562 [0,1,0,1,0,0|0,0,2]=4 2635 B15R2.16 O=C1N[C@@H]([C@@H](CCl)O1)c2ccccc2 Amb24604778 [0,1,0,1,0,0|1,0,1]=4 2636 B15R2.16 OCC1OC(=O)CC1c2ccccc2 Amb24362713 [0,1,0,1,0,0|0,0,2]=4 2637 B15R2.16 OC[C@H]1OC(=O)C[C@@H]1c2ccccc2 Amb24555531 [0,1,0,1,0,0|0,0,2]=4 2638 B15R2.16 OC[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb24653627 [0,1,0,1,0,0|1,0,1]=4 2639 B15R2.16 OC[C@H]1OC(=O)O[C@@H]1c2ccccc2 Amb25222272 [0,1,0,1,0,0|1,0,1]=4 2640 B15R2.16 OC[C@H]1OC(=O)O[C@H]1c2ccccc2 Amb25176737 [0,1,0,1,0,0|1,0,1]=4 2641 B15R2.33 CC1=NNC(=O)C=C1c2ccccc2 Amb18319241 [0,1,0,1,0,0|1,0,1]=4 2642 B15R2.33 CC1CCC(=O)C=C1c2ccccc2 Amb2226908 [0,1,0,1,0,0|1,0,0]=3 2643 B15R2.33 CC1COC(=O)NC1c2ccccc2 Amb25752560 [0,1,0,1,0,0|1,0,1]=4 2644 B15R2.33 CC=1CCC(=O)NC1c2ccccc2 Amb21951678 [0,1,0,1,0,0|2,0,0]=4 2645 B15R2.33 C[C@@H]1COC(=O)N[C@H]1c2ccccc2 Amb24620897 [0,1,0,1,0,0|1,0,1]=4 2646 B15R2.33 NC1COC(=O)CC1c2ccccc2 Amb25743549 [0,1,0,1,0,0|0,0,2]=4 2647 B15R2.33 O=C1CCC(Cl)C(=N1)c2ccccc2 Amb25827129 [0,1,0,1,0,0|2,0,0]=4 2648 B15R2.33 O=C1OCC(Cl)C(O1)c2ccccc2 Amb24422558 [0,1,0,1,0,0|1,0,1]=4 2649 B15R2.33 OC1COC(=O)CC1c2ccccc2 Amb25855725 [0,1,0,1,0,0|0,0,2]=4 2650 B15R2.33 O[C@@H]1COC(=O)C[C@H]1c2ccccc2 Amb24515421 [0,1,0,1,0,0|0,0,2]=4 2651 B15R2.283 CC1COC(C=Cc2ccccc2)O1 Amb24066146 [0,1,0,1,0,0|0,0,2]=4 2652 B15R2.283 CC1NC(\C=C\c2ccccc2)=NO1 Amb24393031 [0,1,0,1,0,0|1,0,0]=3 2653 B15R2.283 Cc1cc(\C=C\c2ccccc2)o[n]1 Amb24554513 [0,1,0,1,0,0|1,0,1]=4 2654 B15R2.283 OC1CC(C=Cc2ccccc2)=NO1 Amb25681406 [0,1,0,1,0,0|2,0,0]=4 2655 B15R2.283 OC1CCC(\C=C\c2ccccc2)O1 Amb22752563 [0,1,0,1,0,0|1,0,1]=4 2656 B15R2.352 BrCCOc1cc2c[n]ccc2cc1 Amb24410986 [0,1,0,1,0,0|2,0,0]=4 2657 B15R2.352 BrCCOc1cc2ccccc2[n]c1 Amb24590767 [0,1,0,1,0,0|2,0,0]=4 2658 B15R2.352 BrCCOc1ccc2c(c1)cccn2 Amb17262598 [0,1,0,1,0,0|2,0,0]=4 2659 B15R2.352 C=CCOc1ccc2ccccc2[n]1 Amb25178874 [0,1,0,1,0,0|1,0,1]=4 2660 B15R2.352 CCCOc1cc2[n]cccc2cc1 Amb25249574 [0,1,0,1,0,0|2,0,0]=4 2661 B15R2.352 CCCOc1cc2ccc[n]c2cc1 Amb24582114 [0,1,0,1,0,0|2,0,0]=4 2662 B15R2.352 CCCOc1cc2ccccc2[n]c1 Amb25089042 [0,1,0,1,0,0|2,0,0]=4 2663 B15R2.352 CCCOc1ccc2ccccc2[n]1 Amb20171237 [0,1,0,1,0,0|1,0,0]=3 2664 B15R2.352 CCNCc1ccc2ccccc2[n]1 Amb19373560 [0,1,0,1,0,0|2,0,0]=4 2665 B15R2.352 CCOCc1cc2ccc[n]c2cc1 Amb24756967 [0,1,0,1,0,0|2,0,0]=4 2666 B15R2.352 CNCCc1ccc2ccccc2[n]1 Amb18299521 [0,1,0,1,0,0|2,0,0]=4 2667 B15R2.352 COCOc1ccc2[n]cccc2c1 Amb25205119 [0,1,0,1,0,0|2,0,0]=4 2668 B15R2.352 CSCCc1ccc2ccccc2[n]1 Amb24459371 [0,1,0,1,0,0|2,0,0]=4 2669 B15R2.352 ClCCNc1ccc2ccccc2[n]1 Amb24089607 [0,1,0,1,0,0|2,0,0]=4 2670 B15R2.352 ClCCOc1c[n]c2ccccc2[n]1 Amb24679383 [0,1,0,1,0,0|2,0,0]=4 2671 B15R2.352 ClCCOc1ccc2c(c1)cccn2 Amb17239671 [0,1,0,1,0,0|2,0,0]=4 2672 B15R2.352 FCCOc1cc2ccccc2cc1 Amb24562684 [0,1,0,1,0,0|1,0,0]=3 2673 B15R2.352 N#CCOc1ccc2c(c1)cccc2 Amb1395353 [0,1,0,1,0,0|1,0,1]=4 2674 B15R2.352 NCCCc1cc2ccccc2cc1 Amb18981387 [0,1,0,1,0,0|2,0,0]=4 2675 B15R2.352 NCCCc1ccc2c(n1)cccc2 Amb17578461 [0,1,0,1,0,0|2,0,0]=4 2676 B15R2.352 NCCNc1cc2ccccc2cc1 Amb18992219 [0,1,0,1,0,0|2,0,0]=4 2677 B15R2.352 NCCNc1ccc2c(n1)cccc2 Amb10609947 [0,1,0,1,0,0|2,0,0]=4 2678 B15R2.352 NCCNc1ccc2c(n1)cccc2 Amb1108505 [0,1,0,1,0,0|2,0,0]=4 2679 B15R2.352 NCCOc1c[n]c2ccccc2[n]1 Amb18297203 [0,1,0,1,0,0|2,0,0]=4 2680 B15R2.352 NCCOc1cc2[n]cccc2cc1 Amb19107899 [0,1,0,1,0,0|2,0,0]=4 2681 B15R2.352 NCCOc1cc2c[n]ccc2cc1 Amb18355016 [0,1,0,1,0,0|2,0,0]=4 2682 B15R2.352 NCCOc1cc2cc[n]cc2cc1 Amb18353762 [0,1,0,1,0,0|2,0,0]=4 2683 B15R2.352 NCCOc1cc2ccc[n]c2cc1 Amb19107900 [0,1,0,1,0,0|2,0,0]=4 2684 B15R2.352 NCCOc1cc2ccccc2[n]c1 Amb25701399 [0,1,0,1,0,0|2,0,0]=4 2685 B15R2.352 NCCOc1ccc2c(c1)cccc2 Amb1069042 [0,1,0,1,0,0|1,0,0]=3 2686 B15R2.352 NCCOc1ccc2ccccc2[n]1 Amb18296487 [0,1,0,1,0,0|1,0,0]=3 2687 B15R2.352 NCCSc1ccc2ccccc2[n]1 Amb18253453 [0,1,0,1,0,0|1,1,0]=4 2688 B15R2.352 OCCCc1cc2ccccc2cc1 Amb24401038 [0,1,0,1,0,0|2,0,0]=4 2689 B15R2.352 OCCCc1ccc2ccccc2[n]1 Amb20669490 [0,1,0,1,0,0|2,0,0]=4 2690 B15R2.352 OCCOc1cc2[n]cccc2cc1 Amb25740630 [0,1,0,1,0,0|2,0,0]=4 2691 B15R2.352 OCCOc1cc2ccccc2[n]c1 Amb24387352 [0,1,0,1,0,0|2,0,0]=4 2692 B15R2.352 OCCOc1ccc2c(c1)cccn2 Amb17105029 [0,1,0,1,0,0|2,0,0]=4 2693 B15R2.352 OCCOc1cnc2c(n1)cccc2 Amb2445501 [0,1,0,1,0,0|2,0,0]=4 2694 B15R2.352 SCCNc1cc2ccccc2cc1 Amb25311323 [0,1,0,1,0,0|2,0,0]=4 2695 B15R2.352 SCCOc1ccc2c(c1)cccc2 Amb17238164 [0,1,0,1,0,0|1,0,0]=3 2696 B15R2.352 SCCOc1ccc2c(c1)cccn2 Amb17238467 [0,1,0,1,0,0|2,0,0]=4 2697 B15R2.352 SCCSc1cc2ccccc2cc1 Amb24352821 [0,1,0,1,0,0|1,1,0]=4 2698 B15R2.355 O=C/1OCC(=O)\C1=C/c2ccccc2 Amb24347145 [0,1,0,1,0,0|0,0,1]=3 2699 B15R2.355 O=C/1ON=C(\C1=C\c2ccccc2)C Amb2228119 [0,1,0,1,0,0|0,0,1]=3 2700 B15R2.355 OC1C=CC(=O)C1=Cc2ccccc2 Amb25192992 [0,1,0,1,0,0|1,0,1]=4 2701 B15R2.355 OC1COC(=O)C1Oc2ccccc2 Amb24431850 [0,1,0,1,0,0|1,0,1]=4 2702 B15R2.355 O[C@H]1COC(=O)[C@H]1Cc2ccccc2 Amb25222249 [0,1,0,1,0,0|0,0,2]=4 2703 B15R2.505 CC1OC1C(=O)OCc2ccccc2 Amb25801937 [0,1,0,1,0,0|1,0,1]=4 2704 B15R2.505 C[C@@H]1O[C@H]1[C@H](O)\C=C\c2ccccc2 Amb25236086 [0,1,0,1,0,0|0,0,2]=4 2705 B15R2.505 O=C(C=Cc1ccccc1)C2CC2Br Amb24059904 [0,1,0,1,0,0|1,0,0]=3 2706 B15R2.2195 C1C=C(CCN1)C=Cc2ccccc2 Amb24589721 [0,1,0,1,0,0|2,0,0]=4 2707 B15R2.2195 C1CCSC(\C=C\c2ccccc2)=N1 Amb22442718 [0,1,0,1,0,0|1,1,0]=4 2708 B15R2.2195 C1NCCOC1\C=C\c2ccccc2 Amb24376807 [0,1,0,1,0,0|1,0,1]=4 2709 B15R2.2195 C1NCCO[C@@H]1\C=C\c2ccccc2 Amb25193523 [0,1,0,1,0,0|1,0,1]=4 2710 B15R2.2195 C1OCCNC1\C=C\c2ccccc2 Amb25089139 [0,1,0,1,0,0|1,0,1]=4 2711 B15R2.9941 C#CCN1C(=O)C=Cc2ccccc12 Amb25814498 [0,1,0,1,0,0|1,0,1]=4 2712 B15R2.9941 CCCN1c2ccccc2C=CC1=O Amb24069972 [0,1,0,1,0,0|1,0,0]=3 2713 B15R2.9941 CCNc1c(O)ccc2ccccc21 Amb18054370 [0,1,0,1,0,0|1,0,1]=4 2714 B15R2.9941 CCOc1c(Br)[n]cc2ccccc21 Amb25756220 [0,1,0,1,0,0|2,0,0]=4 2715 B15R2.9941 CCOc1c(Br)c[n]c2ccccc21 Amb25314181 [0,1,0,1,0,0|2,0,0]=4 2716 B15R2.9941 CCOc1c(Br)ccc2ccc[n]c21 Amb23003266 [0,1,0,1,0,0|2,0,0]=4 2717 B15R2.9941 CCOc1c(Cl)c[n]c2ccccc21 Amb24619245 [0,1,0,1,0,0|2,0,0]=4 2718 B15R2.9941 CCOc1c(Cl)ccc2ccc[n]c21 Amb23003248 [0,1,0,1,0,0|2,0,0]=4 2719 B15R2.9941 CCOc1c(I)ccc2ccc[n]c21 Amb23003294 [0,1,0,1,0,0|2,0,0]=4 2720 B15R2.9941 CCOc1c(N)[n]cc2ccccc21 Amb18649916 [0,1,0,1,0,0|2,0,0]=4 2721 B15R2.9941 CCOc1c(N)c[n]c2ccccc21 Amb23402469 [0,1,0,1,0,0|2,0,0]=4 2722 B15R2.9941 CCOc1c(N)ccc2[n]cccc21 Amb25321025 [0,1,0,1,0,0|2,0,0]=4 2723 B15R2.9941 CNCc1c(O)ccc2c1cccc2 Amb1134110 [0,1,0,1,0,0|1,0,1]=4 2724 B15R2.9941 CN\C=C\1/C(=O)C=Cc2ccccc21 Amb25270108 [0,1,0,1,0,0|1,0,1]=4 2725 B15R2.9941 COCc1c(O)ccc2ccccc21 Amb25271002 [0,1,0,1,0,0|1,0,1]=4 2726 B15R2.9941 CO\N=C\1/C(=O)C=Cc2c1cccc2 Amb10571900 [0,1,0,1,0,0|2,0,0]=4 2727 B15R2.9941 CSCc1c(N)ccc2ccccc21 Amb18654381 [0,1,0,1,0,0|2,0,0]=4 2728 B15R2.9941 CSCc1c(O)ccc2ccccc21 Amb18654771 [0,1,0,1,0,0|1,0,1]=4 2729 B15R2.9941 Cc1ccc2ccccc2c1CCO Amb25709028 [0,1,0,1,0,0|2,0,0]=4 2730 B15R2.9941 Cc1ccc2ccccc2c1CNC Amb18129559 [0,1,0,1,0,0|2,0,0]=4 2731 B15R2.9941 Cc1ccc2ccccc2c1CSC Amb24500187 [0,1,0,1,0,0|2,0,0]=4 2732 B15R2.9941 Cc1ccc2ccccc2c1NCC Amb18553378 [0,1,0,1,0,0|2,0,0]=4 2733 B15R2.9941 NCCN1c2ccccc2C=CC1=O Amb18563358 [0,1,0,1,0,0|1,0,0]=3 2734 B15R2.9941 NCCN1c2ccccc2N=CC1=O Amb18949321 [0,1,0,1,0,0|2,0,0]=4 2735 B15R2.9941 NCCc1c(C)ccc2c1cccc2 Amb17202000 [0,1,0,1,0,0|2,0,0]=4 2736 B15R2.9941 NCCc1c2ccccc2ccc1F Amb24054595 [0,1,0,1,0,0|2,0,0]=4 2737 B15R2.9941 O=C1C=Cc2ccccc2N1CC=O Amb24628423 [0,1,0,1,0,0|1,0,1]=4 2738 B15R2.9941 OCCN1c2ccccc2C=CC1=O Amb25814497 [0,1,0,1,0,0|1,0,0]=3 2739 B15R2.9941 OCCN1c2ccccc2N=CC1=O Amb19040835 [0,1,0,1,0,0|2,0,0]=4 2740 B15R2.28 Cc1ccc(cc1)C2CCOC(=O)N2 Amb24688179 [0,1,0,1,0,0|1,0,1]=4 2741 B15R2.28 Cc1ccc(cc1)C=2CCCC(=O)C2 Amb25672504 [0,1,0,1,0,0|1,0,0]=3 2742 B15R2.28 Cc1ccc(cc1)[C@H]2CC(=O)OCC2 Amb25132107 [0,1,0,1,0,0|0,0,2]=4 2743 B15R2.28 O=C1CC(CCO1)c2ccc(Br)cc2 Amb24381542 [0,1,0,1,0,0|0,0,2]=4 2744 B15R2.28 O=C1CC(CCO1)c2ccc(Cl)cc2 Amb25095898 [0,1,0,1,0,0|0,0,2]=4 2745 B15R2.28 O=C1CCCC(=C1)c2ccc(Cl)cc2 Amb24348037 [0,1,0,1,0,0|1,0,0]=3 2746 B15R2.28 O=C1C[C@H](CCO1)c2ccc(F)cc2 Amb25829475 [0,1,0,1,0,0|0,0,2]=4 2747 B15R2.28 O=C1NC(CCO1)c2ccc(Cl)cc2 Amb25831755 [0,1,0,1,0,0|1,0,1]=4 2748 B15R2.28 O=C1N[C@@H](CCO1)c2ccc(F)cc2 Amb25711271 [0,1,0,1,0,0|1,0,1]=4 2749 B15R2.28 O=C1N[C@H](CCO1)c2ccc(Br)cc2 Amb25776904 [0,1,0,1,0,0|1,0,1]=4 2750 B15R2.28 O=C1N[C@H](CCO1)c2ccc(Cl)cc2 Amb25121764 [0,1,0,1,0,0|1,0,1]=4 2751 B15R2.28 O=C1N[C@H](CCO1)c2ccc(F)cc2 Amb25715275 [0,1,0,1,0,0|1,0,1]=4 2752 B15R2.28 Oc1ccc(cc1)C=2CCCC(=O)C2 Amb24364286 [0,1,0,1,0,0|1,0,0]=3 2753 B15R2.28 Oc1ccc(cc1)[C@@H]2CCOC(=O)N2 Amb25353768 [0,1,0,1,0,0|1,0,1]=4 2754 B15R2.100 Cc1ccc(cc1)\C=C\C=2NCCN2 Amb24637977 [0,1,0,1,0,0|2,0,0]=4 2755 B15R2.100 Clc1ccc(cc1)\C=C\C=2NCCN2 Amb24562269 [0,1,0,1,0,0|2,0,0]=4 2756 B15R2.100 Nc1ccc(cc1)\C=C\C=2NCCN2 Amb24424454 [0,1,0,1,0,0|2,0,0]=4 2757 B15R2.100 Oc1ccc(cc1)\C=C\C=2NCCN2 Amb24689563 [0,1,0,1,0,0|2,0,0]=4 2758 B15R2.309 CC1OC(=O)NC1c2ccc(Br)cc2 Amb24629274 [0,1,0,1,0,0|1,0,1]=4 2759 B15R2.309 CC1OC(=O)NC1c2ccc(I)cc2 Amb25264987 [0,1,0,1,0,0|1,0,1]=4 2760 B15R2.309 CC=1OC(=O)OC1c2ccc(Br)cc2 Amb25045578 [0,1,0,1,0,0|1,0,1]=4 2761 B15R2.309 CN1NC(=O)C=C1c2ccc(F)cc2 Amb20242743 [0,1,0,1,0,0|2,0,0]=4 2762 B15R2.309 C[C@@H]1OC(=O)N[C@@H]1c2ccc(Cl)cc2 Amb25328951 [0,1,0,1,0,0|1,0,1]=4 2763 B15R2.309 C[C@@H]1OC(=O)N[C@@H]1c2ccc(I)cc2 Amb25377910 [0,1,0,1,0,0|1,0,1]=4 2764 B15R2.309 Cc1cc(-c2ccc(N)cc2)c(C)o1 Amb18945083 [0,1,0,1,0,0|1,0,1]=4 2765 B15R2.309 Cc1ccc(cc1)C2=CC(=O)OC2=O Amb23441682 [0,1,0,1,0,0|1,0,1]=4 2766 B15R2.309 Cc1ccc(cc1)C2NC(=O)OC2C Amb25307181 [0,1,0,1,0,0|1,0,1]=4 2767 B15R2.309 Cc1ccc(cc1)N2NC(=O)OC2C Amb25202291 [0,1,0,1,0,0|2,0,0]=4 2768 B15R2.309 Cc1ccc(cc1)[C@@H]2NC(=O)O[C@@H]2C Amb24629256 [0,1,0,1,0,0|1,0,1]=4 2769 B15R2.309 Cc1ccc(cc1)[C@H]2NC(=O)O[C@H]2C Amb24744829 [0,1,0,1,0,0|1,0,1]=4 2770 B15R2.309 O=C1OC(=O)C=C1c2ccc(cc2)Cl Amb2418051 [0,1,0,1,0,0|1,0,1]=4 2771 B15R2.309 Oc1ccc(cc1)C2=CC(=O)OC2O Amb24686468 [0,1,0,1,0,0|1,0,0]=3 2772 B15R2.1282 CCCc1ccc2ccc(N)cc2[n]1 Amb24424953 [0,1,0,1,0,0|2,0,0]=4 2773 B15R2.1282 CCNc1ccc2ccc(Br)cc2[n]1 Amb25740172 [0,1,0,1,0,0|2,0,0]=4 2774 B15R2.1282 CCOc1c[n]c2ccc(Br)cc2c1 Amb22494959 [0,1,0,1,0,0|2,0,0]=4 2775 B15R2.1282 CCOc1c[n]c2ccc(Cl)cc2c1 Amb24685090 [0,1,0,1,0,0|2,0,0]=4 2776 B15R2.1282 CCOc1cc2OC(=O)C=Cc2cc1 Amb18511472 [0,1,0,1,0,0|2,0,0]=4 2777 B15R2.1282 CCOc1cc2cc(Br)c[n]c2cc1 Amb23449326 [0,1,0,1,0,0|2,0,0]=4 2778 B15R2.1282 CCOc1cc2cc(N)[n]cc2cc1 Amb22499398 [0,1,0,1,0,0|2,0,0]=4 2779 B15R2.1282 CCOc1cc2oc(=O)ccc2cc1 Amb1207212 [0,1,0,1,0,0|2,0,0]=4 2780 B15R2.1282 CCOc1ccc2c(c1)cc(cn2)N Amb17157140 [0,1,0,1,0,0|2,0,0]=4 2781 B15R2.1282 CCOc1ccc2ccc(Br)cc2[n]1 Amb22494909 [0,1,0,1,0,0|1,0,0]=3 2782 B15R2.1282 CCOc1ccc2ccc(N)[n]c2[n]1 Amb24425361 [0,1,0,1,0,0|2,0,0]=4 2783 B15R2.1510 Cc1ccc(\C=C/2\CCNC2=O)cc1 Amb25095314 [0,1,0,1,0,0|1,0,0]=3 2784 B15R2.1510 Nc1ccc(\C=C/2\CCCC2=O)cc1 Amb25112053 [0,1,0,1,0,0|1,0,0]=3 2785 B15R2.1510 Nc1ccc(\C=C/2\CCOC2=O)cc1 Amb25073308 [0,1,0,1,0,0|0,0,0]=2 2786 B15R2.1510 O=C/1NCC\C1=C/c2ccc(Cl)cc2 Amb25119223 [0,1,0,1,0,0|1,0,0]=3 2787 B15R2.1510 O=C/1NCC\C1=C\c2ccc(Cl)cc2 Amb25221413 [0,1,0,1,0,0|1,0,0]=3 2788 B15R2.1510 O=C/1OCS\C1=C\c2ccc(Cl)cc2 Amb25732575 [0,1,0,1,0,0|1,0,0]=3 2789 B15R2.1510 O=C/1OCS\C1=C\c2ccc(cc2)Br Amb2232047 [0,1,0,1,0,0|1,0,0]=3 2790 B15R2.1510 O=C1OCCC1=Cc2ccc(Br)cc2 Amb22447574 [0,1,0,1,0,0|0,0,0]=2 2791 B15R2.1510 O=C1OCCC1Nc2ccc(Cl)cc2 Amb25205617 [0,1,0,1,0,0|1,0,1]=4 2792 B15R2.1510 O=C1OCCC1Oc2ccc(Cl)cc2 Amb25770917 [0,1,0,1,0,0|1,0,1]=4 2793 B15R2.1510 O=C1OCCN1Cc2ccc(Br)cc2 Amb24632765 [0,1,0,1,0,0|1,0,1]=4 2794 B15R2.1510 O=C1OCCN1Cc2ccc(Cl)cc2 Amb22330640 [0,1,0,1,0,0|1,0,1]=4 2795 B15R2.1510 Oc1ccc(\C=C\2/CCCC2=O)cc1 Amb18649860 [0,1,0,1,0,0|1,0,0]=3 2796 B15R2.1510 Oc1ccc(\C=C\2/CCOC2=O)cc1 Amb19518102 [0,1,0,1,0,0|0,0,0]=2 2797 B15R2.1530 O=C(C1CC1)\C=C\c2ccc(cc2)C Amb10560557 [0,1,0,1,0,0|1,0,0]=3 2798 B15R2.1530 O=C(C=Cc1ccc(Br)cc1)C2CC2 Amb24078532 [0,1,0,1,0,0|1,0,0]=3 2799 B15R2.36352 CCN1C(=O)C=Cc2c[n]c(N)cc12 Amb24468727 [0,1,0,1,0,0|2,0,0]=4 2800 B15R2.36352 CCN1C(=O)C=Cc2ccc(N)[n]c12 Amb18650171 [0,1,0,1,0,0|2,0,0]=4 2801 B15R2.332 Cc1cc[n]cc1C=2CCCC(=O)C2 Amb25768032 [0,1,0,1,0,0|2,0,0]=4 2802 B15R2.332 Cc1ccccc1C2CCOC(=O)N2 Amb24734849 [0,1,0,1,0,0|1,0,1]=4 2803 B15R2.332 Nc1[n]cccc1C=2CCCC(=O)C2 Amb25732805 [0,1,0,1,0,0|2,0,0]=4 2804 B15R2.332 Nc1cc[n]cc1C=2CCCC(=O)C2 Amb24382864 [0,1,0,1,0,0|2,0,0]=4 2805 B15R2.332 Nc1ccccc1C=2CCCC(=O)C2 Amb24652468 [0,1,0,1,0,0|1,0,0]=3 2806 B15R2.332 O=C1CC(CCO1)c2ccccc2Cl Amb24507489 [0,1,0,1,0,0|0,0,2]=4 2807 B15R2.332 O=C1CC(CCO1)c2ccccc2F Amb25697474 [0,1,0,1,0,0|0,0,2]=4 2808 B15R2.332 O=C1CCCC(=C1)c2ccccc2Br Amb24361834 [0,1,0,1,0,0|1,0,0]=3 2809 B15R2.332 O=C1CCCC(=C1)c2ccccc2Cl Amb25826953 [0,1,0,1,0,0|1,0,0]=3 2810 B15R2.332 O=C1NC(CCO1)c2ccccc2Br Amb24414848 [0,1,0,1,0,0|1,0,1]=4 2811 B15R2.332 O=C1N[C@@H](CCO1)c2ccccc2Cl Amb25038273 [0,1,0,1,0,0|1,0,1]=4 2812 B15R2.332 O=C1N[C@H](CCO1)c2ccccc2Cl Amb25260780 [0,1,0,1,0,0|1,0,1]=4 2813 B15R2.332 Oc1ccccc1C2CC(=O)OCC2 Amb25347463 [0,1,0,1,0,0|0,0,2]=4 2814 B15R2.332 Oc1ccccc1C2CCOC(=O)N2 Amb25080249 [0,1,0,1,0,0|1,0,1]=4 2815 B15R2.332 Oc1ccccc1C=2CCCC(=O)C2 Amb24551560 [0,1,0,1,0,0|1,0,0]=3 2816 B15R2.359 CC/1=NCC\C1=C/c2ccccc2O Amb24506274 [0,1,0,1,0,0|2,0,0]=4 2817 B15R2.359 Nc1ccccc1OC2CCOC2=O Amb18950830 [0,1,0,1,0,0|1,0,1]=4 2818 B15R2.359 Nc1ccccc1\C=C\2/CCOC2=O Amb25295423 [0,1,0,1,0,0|0,0,0]=2 2819 B15R2.359 O=C/1NCS\C1=C\c2ccccc2O Amb10813316 [0,1,0,1,0,0|2,0,0]=4 2820 B15R2.359 O=C1OCCC1Nc2ccccc2Br Amb24680667 [0,1,0,1,0,0|1,0,1]=4 2821 B15R2.359 O=C1OCCC1Nc2ccccc2I Amb25673473 [0,1,0,1,0,0|1,0,1]=4 2822 B15R2.359 Oc1ccccc1SC2CCOC2=O Amb25663749 [0,1,0,1,0,0|1,0,1]=4 2823 B15R2.359 Oc1ccccc1\C=C\2/CCCC2=O Amb18649862 [0,1,0,1,0,0|1,0,0]=3 2824 B15R2.359 Oc1ccccc1\C=C\2/CCOC2=O Amb22757608 [0,1,0,1,0,0|0,0,0]=2 2825 B15R2.557 CC1OC(=O)NC1c2ccccc2Br Amb25291565 [0,1,0,1,0,0|1,0,1]=4 2826 B15R2.557 CC1OC(=O)NC1c2ccccc2O Amb25213175 [0,1,0,1,0,0|1,0,1]=4 2827 B15R2.557 C[C@@H]1OC(=O)N[C@@H]1c2ccccc2I Amb24621938 [0,1,0,1,0,0|1,0,1]=4 2828 B15R2.557 C[C@H]1OC(=O)N[C@H]1c2ccccc2I Amb25258958 [0,1,0,1,0,0|1,0,1]=4 2829 B15R2.557 Cc1cc(-c2ccccc2N)c(C)o1 Amb18945070 [0,1,0,1,0,0|1,0,1]=4 2830 B15R2.557 Cc1ccccc1C2NC(=O)OC2C Amb24674292 [0,1,0,1,0,0|1,0,1]=4 2831 B15R2.557 Cc1ccccc1[C@H]2NC(=O)O[C@H]2C Amb24656099 [0,1,0,1,0,0|1,0,1]=4 2832 B15R2.557 O=C1OC(=O)C=C1c2ccccc2F Amb23441683 [0,1,0,1,0,0|1,0,1]=4 2833 B15R2.562 Cc1ccccc1\C=C\C=2NCCN2 Amb22352578 [0,1,0,1,0,0|2,0,0]=4 2834 B15R2.562 Cc1ccccc1\C=C\C=2NCCN2 Amb24441669 [0,1,0,1,0,0|2,0,0]=4 2835 B15R2.562 Clc1ccccc1\C=C\C=2NCCN2 Amb25698358 [0,1,0,1,0,0|2,0,0]=4 2836 B15R2.562 Oc1ccccc1\C=C\C2=NCCO2 Amb18650117 [0,1,0,1,0,0|1,0,0]=3 2837 B15R2.562 Oc1ccccc1\C=C\C2=NCCS2 Amb18655103 [0,1,0,1,0,0|1,1,0]=4 2838 B15R2.562 Oc1ccccc1\C=C\C2OCCO2 Amb25793660 [0,1,0,1,0,0|0,0,2]=4 2839 B15R2.1846 CCC1=Cc2ccccc2C=CC1=O Amb21948173 [0,1,0,1,0,0|1,0,0]=3 2840 B15R2.1846 CNC1=Cc2ccccc2C=CC1=O Amb24348165 [0,1,0,1,0,0|2,0,0]=4 2841 B15R2.1846 COC1=Cc2ccccc2C=CC1=O Amb20247046 [0,1,0,1,0,0|2,0,0]=4 2842 B15R2.5778 CCN1C(=O)C=Cc2c(N)cccc12 Amb25065309 [0,1,0,1,0,0|1,0,0]=3 2843 B15R2.7455 O=C(\C=C\c1ccccc1Br)C2CC2 Amb24752706 [0,1,0,1,0,0|1,0,0]=3 2844 B15R2.7455 O=C(\C=C\c1ccccc1Cl)C2CC2 Amb25125370 [0,1,0,1,0,0|1,0,0]=3 2845 B15R2.7455 O=C(\C=C\c1ccccc1F)C2CC2 Amb24679662 [0,1,0,1,0,0|1,0,0]=3 2846 B15R2.54379 CCOc1cc2NC=CC(=S)c2cc1 Amb24111559 [0,1,0,1,0,0|2,0,0]=4 2847 B15R2.54379 CCOc1cc2[n]ccc(Cl)c2cc1 Amb22494933 [0,1,0,1,0,0|2,0,0]=4 2848 B15R2.54379 CCOc1cc2[n]ccc(N)c2cc1 Amb24111508 [0,1,0,1,0,0|2,0,0]=4 2849 B15R2.54379 CCOc1cc2[n]ccc(O)c2cc1 Amb24111547 [0,1,0,1,0,0|2,0,0]=4 2850 B15R2.54379 CCOc1cc2cc[n]c(Br)c2cc1 Amb18062822 [0,1,0,1,0,0|2,0,0]=4 2851 B15R2.54379 CCOc1cc2cc[n]c(O)c2cc1 Amb18062800 [0,1,0,1,0,0|2,0,0]=4 2852 B15R2.54379 CCOc1cc2cccc(N)c2cc1 Amb24081670 [0,1,0,1,0,0|1,0,0]=3 2853 B15R2.54379 CCOc1ccc2c(N)cccc2[n]1 Amb25820597 [0,1,0,1,0,0|1,0,0]=3 2854 B15R2.54379 CCOc1ccc2c(c1)ccnc2Cl Amb17216945 [0,1,0,1,0,0|2,0,0]=4 2855 B15R2.54379 CCOc1ccc2c(c1)ccnc2N Amb17216966 [0,1,0,1,0,0|2,0,0]=4 2856 B15R2.54379 Cc1cc[n]c2cc(ccc12)OCC Amb24092054 [0,1,0,1,0,0|2,0,0]=4 2857 B15R2.1601 CCC(C)c1ccc2ccccc2[n]1 Amb22733651 [0,1,0,1,0,0|2,0,0]=4 2858 B15R2.1601 CCC(Cl)c1cc2ccccc2cc1 Amb25103283 [0,1,0,1,0,0|2,0,0]=4 2859 B15R2.1601 CCC(N)c1cc2ccccc2cc1 Amb18287330 [0,1,0,1,0,0|2,0,0]=4 2860 B15R2.1601 CCC(N)c1ccc2ccccc2[n]1 Amb25214097 [0,1,0,1,0,0|2,0,0]=4 2861 B15R2.1601 CCC(O)c1cc2ccccc2cc1 Amb19070061 [0,1,0,1,0,0|2,0,0]=4 2862 B15R2.1601 CC[C@@H](N)c1cc2ccccc2cc1 Amb23440391 [0,1,0,1,0,0|2,0,0]=4 2863 B15R2.1601 CC[C@@H](O)c1ccc2ccccc2[n]1 Amb25185893 [0,1,0,1,0,0|2,0,0]=4 2864 B15R2.1601 CC[C@H](N)c1cc2ccccc2cc1 Amb24379646 [0,1,0,1,0,0|2,0,0]=4 2865 B15R2.1601 CC[C@H](O)c1ccc2ccccc2[n]1 Amb24662730 [0,1,0,1,0,0|2,0,0]=4 2866 B15R2.4083 C=C/1C(O)CC\C1=C\c2ccccc2 Amb25234843 [0,1,0,1,0,0|2,0,0]=4 2867 B15R2.24493 CC1(CO1)C(=O)C=Cc2ccccc2 Amb24060079 [0,1,0,1,0,0|2,0,0]=4 2868 B15R2.114017 CC1(CCl)C(=O)C=Cc2ccccc12 Amb24498900 [0,1,0,1,0,0|2,0,0]=4 2869 B15R2.327 CC1(C)NC(=O)N=C1c2ccccc2 Amb25827603 [0,1,0,1,0,0|2,0,0]=4 2870 B15R2.327 CC1(C)OC(=O)C=C1c2ccccc2 Amb19558252 [0,1,0,1,0,0|0,0,0]=2 2871 B15R2.327 CC1(O)NC(=O)C=C1c2ccccc2 Amb25804063 [0,1,0,1,0,0|1,0,0]=3 2872 B15R2.327 O=C1CC(C(O1)(C)C)c2ccccc2 Amb10566552 [0,1,0,1,0,0|0,0,2]=4 2873 B15R2.1162 CC(C)[n+]1c(C)ccc2ccccc12 Amb17801310 [0,1,0,1,0,0|2,0,0]=4 2874 B15R2.1162 CC(C)c1c(N)ccc2ccccc21 Amb24417191 [0,1,0,1,0,0|2,0,0]=4 2875 B15R2.1162 CC(N)c1c(F)ccc2ccccc21 Amb25815604 [0,1,0,1,0,0|2,0,0]=4 2876 B15R2.1162 CC(N)c1c2ccccc2ccc1N Amb25737890 [0,1,0,1,0,0|2,0,0]=4 2877 B15R2.1162 CC(O)c1c(Cl)ccc2ccccc21 Amb22270178 [0,1,0,1,0,0|2,0,0]=4 2878 B15R2.1162 CC(O)c1c2ccccc2ccc1O Amb18054369 [0,1,0,1,0,0|1,0,1]=4 2879 B15R2.1162 CC(c1c(O)ccc2c1cccc2)N Amb1993844 [0,1,0,1,0,0|1,0,1]=4 2880 B15R2.1162 CC(c1c(O)ccc2c1cccc2)N Amb1993997 [0,1,0,1,0,0|1,0,1]=4 2881 B15R2.1162 C[C@H](O)c1c2ccccc2ccc1O Amb24462940 [0,1,0,1,0,0|1,0,1]=4 2882 B15R2.1162 Cc1ccc2ccccc2c1C(C)N Amb18054347 [0,1,0,1,0,0|2,0,0]=4 2883 B15R2.1162 Cc1ccc2ccccc2c1C(C)O Amb18553389 [0,1,0,1,0,0|2,0,0]=4 2884 B15R2.1162 Cc1ccc2ccccc2c1[C@H](C)O Amb24347396 [0,1,0,1,0,0|2,0,0]=4 2885 B15R2.1668 CC(=S)Oc1ccc2c(c1)cccc2 Amb10574281 [0,1,0,1,0,0|1,0,1]=4 2886 B15R2.1668 CC(Br)Cc1ccc2ccccc2[n]1 Amb25731490 [0,1,0,1,0,0|2,0,0]=4 2887 B15R2.1668 CC(C)Oc1[n]c2ccccc2c[n]1 Amb25268324 [0,1,0,1,0,0|2,0,0]=4 2888 B15R2.1668 CC(C)Oc1cc2c[n]ccc2cc1 Amb24092133 [0,1,0,1,0,0|2,0,0]=4 2889 B15R2.1668 CC(C)Oc1cc2cc[n]cc2cc1 Amb24437424 [0,1,0,1,0,0|2,0,0]=4 2890 B15R2.1668 CC(C)Oc1cc2ccccc2c[n]1 Amb25178577 [0,1,0,1,0,0|2,0,0]=4 2891 B15R2.1668 CC(C)Oc1cc2ccccc2cc1 Amb24358848 [0,1,0,1,0,0|1,0,0]=3 2892 B15R2.1668 CC(Cl)Cc1cc2ccccc2cc1 Amb25164772 [0,1,0,1,0,0|2,0,0]=4 2893 B15R2.1668 CC(Cl)Sc1ccc2ccccc2[n]1 Amb25334806 [0,1,0,1,0,0|1,1,0]=4 2894 B15R2.1668 CC(O)Cc1cc2ccccc2cc1 Amb18319261 [0,1,0,1,0,0|2,0,0]=4 2895 B15R2.1668 CC(O)Cc1ccc2ccccc2[n]1 Amb20623273 [0,1,0,1,0,0|2,0,0]=4 2896 B15R2.1668 CC(O)Nc1cc2ccccc2cc1 Amb25814867 [0,1,0,1,0,0|2,0,0]=4 2897 B15R2.1668 CC(Sc1ccc2c(n1)cccc2)C Amb10665721 [0,1,0,1,0,0|1,1,0]=4 2898 B15R2.1668 C[C@@H](N)Cc1cc2ccccc2cc1 Amb25213558 [0,1,0,1,0,0|2,0,0]=4 2899 B15R2.1668 FC(F)Oc1ccc2ccccc2[n]1 Amb22236392 [0,1,0,1,0,0|2,0,0]=4 2900 B15R2.133568 CC(C)OC(=O)C1Cc2ccccc21 Amb25678861 [0,1,0,1,0,0|0,0,2]=4 2901 B15R2.17 O=CC=1CCCC(C1)c2ccccc2 Amb18649407 [0,1,0,1,0,0|1,0,1]=4 2902 B15R2.118 O=CC=1CCCC1Oc2ccccc2 Amb24408381 [0,1,0,1,0,0|2,0,0]=4 2903 B15R2.1682 Cc1oc(CO)cc1-c2ccccc2 Amb25813640 [0,1,0,1,0,0|0,0,2]=4 2904 B15R2.2115 COc1c(C=O)ccc2c1cccc2 Amb17594810 [0,1,0,1,0,0|2,0,0]=4 2905 B15R2.2220 CCCN1C=Cc2ccccc2C1=O Amb18404076 [0,1,0,1,0,0|2,0,0]=4 2906 B15R2.2220 CCNc1ccc2ccccc2c1Br Amb24641894 [0,1,0,1,0,0|2,0,0]=4 2907 B15R2.2220 CCOC1=CCc2ccccc2C1N Amb25804241 [0,1,0,1,0,0|1,0,1]=4 2908 B15R2.2220 CCOC1C=Cc2ccccc2C1O Amb25296069 [0,1,0,1,0,0|0,0,2]=4 2909 B15R2.2220 CCOc1[n]cc2ccccc2c1Br Amb25269904 [0,1,0,1,0,0|2,0,0]=4 2910 B15R2.2220 CCOc1c[n]c2ccccc2c1Cl Amb25065589 [0,1,0,1,0,0|2,0,0]=4 2911 B15R2.2220 CCOc1ccc2[n]cccc2c1Br Amb23437323 [0,1,0,1,0,0|2,0,0]=4 2912 B15R2.2220 CCOc1ccc2c(c1N)cccc2 Amb17200241 [0,1,0,1,0,0|1,0,0]=3 2913 B15R2.2220 CCOc1ccc2c(c1O)cccc2 Amb17200242 [0,1,0,1,0,0|0,0,1]=3 2914 B15R2.2220 CCOc1ccc2c[n]ccc2c1N Amb25801538 [0,1,0,1,0,0|2,0,0]=4 2915 B15R2.2220 CCOc1ccc2ccc[n]c2c1N Amb25278309 [0,1,0,1,0,0|2,0,0]=4 2916 B15R2.2220 CCOc1ccc2ccccc2c1Br Amb22490058 [0,1,0,1,0,0|1,0,0]=3 2917 B15R2.2220 Cc1c2ccccc2ccc1OCC Amb25167822 [0,1,0,1,0,0|1,0,0]=3 2918 B15R3.2249 O=C1CC[n]2c3ccccc3cc21 Amb18198639 [0,0,0,2,0,0|2,0,0]=4 2919 B15R3.2249 O=C1OCc2c1[nH]c3ccccc32 Amb25798376 [0,0,0,2,0,0|1,0,1]=4 2920 B15R3.4266 C1CCc2[n]c3ccccc3cc21 Amb21858729 [0,0,0,2,0,0|2,0,0]=4 2921 B15R3.4266 C1CCc2cc3ccccc3cc21 Amb20248692 [0,0,0,2,0,0|2,0,0]=4 2922 B15R3.4266 C1CNc2cc3ccccc3cc21 Amb25275055 [0,0,0,2,0,0|2,0,0]=4 2923 B15R3.1738 C1COC2(C=Cc3ccccc23)O1 Amb22230761 [0,0,0,2,0,0|0,0,2]=4 2924 B15R3.31603 C1CN1c2cc3ccccc3cc2 Amb20247725 [0,0,0,2,0,0|2,0,0]=4 2925 B15R3.794 Brc1ccc2cccc3CCc1c32 Amb24496100 [0,0,0,2,0,0|2,0,0]=4 2926 B15R3.794 Ic1ccc2cccc3CCc1c32 Amb25262880 [0,0,0,2,0,0|2,0,0]=4 2927 B15R3.794 Nc1ccc2c3c1CCc3ccc2 Amb17594241 [0,0,0,2,0,0|2,0,0]=4 2928 B15R3.794 O=C1C=Nc2cccc3CCN1c32 Amb25157499 [0,0,0,2,0,0|2,0,0]=4 2929 B15R3.794 Oc1ccc2cccc3CCc1c32 Amb25053126 [0,0,0,2,0,0|1,0,1]=4 2930 B15R3.2009 O=C1N[C@@H]2[C@@H](Cc3ccccc32)O1 Amb22336679 [0,0,0,2,0,0|1,0,1]=4 2931 B15R3.2009 O=C1O[C@@H]2[C@H](N1)c3c(C2)cccc3 Amb16227034 [0,0,0,2,0,0|1,0,1]=4 2932 B11R1.4 CCOC\C=C\c1ccco1 Amb25383225 [1,0,0,0,1,0|1,0,1]=4 2933 B11R1.25 CCC(=O)/C=C/c1cccs1 Amb17864533 [1,0,0,0,1,0|1,0,0]=3 2934 B11R1.25 CCC(=O)\C=C\c1ccc[nH]1 Amb22339563 [1,0,0,0,1,0|1,0,0]=3 2935 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [1,0,0,0,1,0|1,0,0]=3 2936 B11R1.25 COC(=O)\C=C/c1cccs1 Amb10069647 [1,0,0,0,1,0|1,0,0]=3 2937 B11R1.25 COC(=O)\C=C\c1[n]cc[s]1 Amb25758463 [1,0,0,0,1,0|2,0,0]=4 2938 B11R1.25 COC(=O)\C=C\c1c[nH][n]c1 Amb25089344 [1,0,0,0,1,0|2,0,0]=4 2939 B11R1.25 COC(=O)\C=C\c1c[nH]cn1 Amb10569688 [1,0,0,0,1,0|2,0,0]=4 2940 B11R1.25 COC(=O)\C=C\c1c[n]co1 Amb24566780 [1,0,0,0,1,0|2,0,0]=4 2941 B11R1.25 COC(=O)\C=C\c1c[s]c[n]1 Amb24409150 [1,0,0,0,1,0|2,0,0]=4 2942 B11R1.25 COC(=O)\C=C\c1cc[nH]c1 Amb21962731 [1,0,0,0,1,0|1,0,0]=3 2943 B11R1.25 COC(=O)\C=C\c1ccc[nH]1 Amb22728583 [1,0,0,0,1,0|1,0,0]=3 2944 B11R1.25 COC(=O)\C=C\c1cnc[nH]1 Amb17617955 [1,0,0,0,1,0|2,0,0]=4 2945 B11R1.25 COC(=O)\C=C\c1coc[n]1 Amb25208802 [1,0,0,0,1,0|2,0,0]=4 2946 B11R1.25 COC(=O)\C=C\c1cocc1 Amb24418960 [1,0,0,0,1,0|1,0,0]=3 2947 B11R1.25 O=C(CBr)\C=C\c1ccco1 Amb24557173 [1,0,0,0,1,0|2,0,0]=4 2948 B11R1.25 O=C(CCl)\C=C\c1cc[nH]c1 Amb24673920 [1,0,0,0,1,0|2,0,0]=4 2949 B11R1.25 O=C(CCl)\C=C\c1ccc[nH]1 Amb24485870 [1,0,0,0,1,0|2,0,0]=4 2950 B11R1.25 O=C(CF)\C=C\c1ccco1 Amb25205838 [1,0,0,0,1,0|2,0,0]=4 2951 B11R1.25 OCC(=O)\C=C\c1ccco1 Amb25728855 [1,0,0,0,1,0|2,0,0]=4 2952 B11R1.40 BrCC(=O)Cc1ccccc1 Amb17569850 [1,0,0,0,1,0|1,0,1]=4 2953 B11R1.40 BrCC(=O)Nc1ccccc1 Amb2222053 [1,0,0,0,1,0|2,0,0]=4 2954 B11R1.40 CCC(=O)Cc1cccnc1 Amb17477730 [1,0,0,0,1,0|1,0,1]=4 2955 B11R1.40 CCC(=O)Cc1ccncc1 Amb17477729 [1,0,0,0,1,0|1,0,1]=4 2956 B11R1.40 CCC(=O)Oc1ccc[n]c1 Amb24674574 [1,0,0,0,1,0|2,0,0]=4 2957 B11R1.40 CCC(=O)Oc1cccc[n]1 Amb25264358 [1,0,0,0,1,0|2,0,0]=4 2958 B11R1.40 CCC(=S)Nc1ccccc1 Amb24757738 [1,0,0,0,1,0|1,1,0]=4 2959 B11R1.40 CCP(=O)Oc1ccccc1 Amb21963209 [1,0,0,0,1,0|2,0,0]=4 2960 B11R1.40 CCS(=O)Cc1ccccc1 Amb24485048 [1,0,0,0,1,0|1,0,1]=4 2961 B11R1.40 CCS(=O)Nc1ccccc1 Amb24752666 [1,0,0,0,1,0|2,0,0]=4 2962 B11R1.40 CC\C(\I)=C/c1ccccc1 Amb22641702 [1,0,0,0,1,0|1,0,0]=3 2963 B11R1.40 CC\C(\N)=N\c1ccccc1 Amb24453266 [1,0,0,0,1,0|2,0,0]=4 2964 B11R1.40 COC(=N)Cc1ccccc1 Amb17673180 [1,0,0,0,1,0|1,0,1]=4 2965 B11R1.40 COC(=N)Cc1ccccc1 Amb22366095 [1,0,0,0,1,0|1,0,1]=4 2966 B11R1.40 COC(=N)Nc1ccccc1 Amb24509579 [1,0,0,0,1,0|2,0,0]=4 2967 B11R1.40 COC(=O)Cc1cc[n]cc1 Amb20240688 [1,0,0,0,1,0|1,0,1]=4 2968 B11R1.40 COC(=O)Cc1ccc[n]c1 Amb22497118 [1,0,0,0,1,0|1,0,1]=4 2969 B11R1.40 COC(=O)Cc1ccccn1 Amb1223230 [1,0,0,0,1,0|1,0,1]=4 2970 B11R1.40 COC(=O)Nc1ccccc1 Amb1200636 [1,0,0,0,1,0|1,0,0]=3 2971 B11R1.40 COC(=O)Nc1ccccn1 Amb17860931 [1,0,0,0,1,0|2,0,0]=4 2972 B11R1.40 COC(=O)Nc1cccnc1 Amb2222993 [1,0,0,0,1,0|2,0,0]=4 2973 B11R1.40 COC(=O)Oc1ccccc1 Amb10807421 [1,0,0,0,1,0|1,0,0]=3 2974 B11R1.40 CO\C(=N/c1ccccc1)\[O-] Amb16224823 [1,0,0,0,1,0|1,0,1]=4 2975 B11R1.40 CSC(=O)Cc1ccccc1 Amb25293907 [1,0,0,0,1,0|0,1,1]=4 2976 B11R1.40 C\C(=C/c1ccccc1)\NC Amb25825428 [1,0,0,0,1,0|2,0,0]=4 2977 B11R1.40 C\C(\CBr)=C/c1ccccc1 Amb24605004 [1,0,0,0,1,0|2,0,0]=4 2978 B11R1.40 C\C(\CC)=C\c1ccccc1 Amb22546773 [1,0,0,0,1,0|1,0,0]=3 2979 B11R1.40 C\C(\CN)=C/c1ccccc1 Amb25076849 [1,0,0,0,1,0|2,0,0]=4 2980 B11R1.40 C\C(\CN)=C\c1ccccc1 Amb24634730 [1,0,0,0,1,0|2,0,0]=4 2981 B11R1.40 ClCC(=O)Cc1ccccc1 Amb2371529 [1,0,0,0,1,0|1,0,1]=4 2982 B11R1.40 ClCC(=O)Oc1ccccc1 Amb1914503 [1,0,0,0,1,0|2,0,0]=4 2983 B11R1.40 ClC\C(\Br)=C\c1ccccc1 Amb25283246 [1,0,0,0,1,0|2,0,0]=4 2984 B11R1.40 Cl\C(\CCl)=C/c1ccccc1 Amb25362063 [1,0,0,0,1,0|2,0,0]=4 2985 B11R1.40 F\C(\CBr)=C\c1ccccc1 Amb24745736 [1,0,0,0,1,0|2,0,0]=4 2986 B11R1.40 NCC(=O)Cc1ccccc1 Amb18202084 [1,0,0,0,1,0|1,0,1]=4 2987 B11R1.40 NCC(=O)Cc1ccccc1 Amb19516183 [1,0,0,0,1,0|1,0,1]=4 2988 B11R1.40 NCC(=O)Nc1ccccc1 Amb10609338 [1,0,0,0,1,0|2,0,0]=4 2989 B11R1.40 NCC(=O)Oc1ccccc1 Amb17334310 [1,0,0,0,1,0|2,0,0]=4 2990 B11R1.40 NC\C(\Cl)=C\c1ccccc1 Amb25259250 [1,0,0,0,1,0|2,0,0]=4 2991 B11R1.40 NOC(=O)Nc1ccccc1 Amb24484939 [1,0,0,0,1,0|2,0,0]=4 2992 B11R1.40 O=C(CBr)Sc1ccccc1 Amb24730786 [1,0,0,0,1,0|2,0,0]=4 2993 B11R1.40 O=C(CCl)Sc1ccccc1 Amb24712200 [1,0,0,0,1,0|2,0,0]=4 2994 B11R1.40 O=C(CF)Nc1ccccc1 Amb20246909 [1,0,0,0,1,0|2,0,0]=4 2995 B11R1.40 O=C(CI)Nc1ccccc1 Amb21964671 [1,0,0,0,1,0|2,0,0]=4 2996 B11R1.40 O=C(CP)Nc1ccccc1 Amb25032359 [1,0,0,0,1,0|2,0,0]=4 2997 B11R1.40 O=C(Cc1ccccc1)CF Amb22234964 [1,0,0,0,1,0|1,0,1]=4 2998 B11R1.40 O=C(Cc1ccccc1)CS Amb25294429 [1,0,0,0,1,0|1,0,1]=4 2999 B11R1.40 O=C(Cc1ccccc1)O[Ag] Amb22359200 [1,0,0,0,1,0|1,0,1]=4 3000 B11R1.40 OCC(=O)Cc1ccccc1 Amb18182729 [1,0,0,0,1,0|1,0,1]=4 3001 B11R1.40 OCC(=O)Nc1ccccc1 Amb1110212 [1,0,0,0,1,0|2,0,0]=4 3002 B11R1.40 OCC(=O)Oc1ccccc1 Amb25149728 [1,0,0,0,1,0|2,0,0]=4 3003 B11R1.40 OC\C(\Br)=C\c1ccccc1 Amb25187542 [1,0,0,0,1,0|2,0,0]=4 3004 B11R1.40 SCC(=O)Nc1ccccc1 Amb1349645 [1,0,0,0,1,0|2,0,0]=4 3005 B11R1.16 C#COC(=O)c1ccccc1 Amb25084221 [0,0,0,0,2,0|0,0,2]=4 3006 B11R1.16 C=COC(=O)c1ccccc1 Amb10807409 [0,0,0,0,2,0|0,0,2]=4 3007 B11R1.16 CC#CC(=O)c1ccccc1 Amb17593622 [0,0,0,0,2,0|1,0,1]=4 3008 B11R1.16 CC(=CCC)c1ccccc1 Amb22228912 [0,0,0,0,2,0|2,0,0]=4 3009 B11R1.16 CCCC(=C)c1ccccc1 Amb24669524 [0,0,0,0,2,0|2,0,0]=4 3010 B11R1.16 CCCC(=O)c1cc[n]cc1 Amb22235246 [0,0,0,0,2,0|2,0,0]=4 3011 B11R1.16 CCCC(=O)c1cccnc1 Amb17232054 [0,0,0,0,2,0|2,0,0]=4 3012 B11R1.16 CCNC(=N)c1ccccc1 Amb23447118 [0,0,0,0,2,0|2,0,0]=4 3013 B11R1.16 CCOC(=C)c1ccccc1 Amb24495644 [0,0,0,0,2,0|1,0,0]=3 3014 B11R1.16 CCOC(=N)c1cc[n]cc1 Amb18179378 [0,0,0,0,2,0|2,0,0]=4 3015 B11R1.16 CCOC(=N)c1ccc[n]c1 Amb18179379 [0,0,0,0,2,0|2,0,0]=4 3016 B11R1.16 CCOC(=N)c1cccc[n]1 Amb18791461 [0,0,0,0,2,0|2,0,0]=4 3017 B11R1.16 CCOC(=N)c1ccccc1 Amb17666955 [0,0,0,0,2,0|1,0,0]=3 3018 B11R1.16 CCOC(=O)C1=CCC=CC1 Amb17611462 [0,0,0,0,2,0|0,0,2]=4 3019 B11R1.16 CCOC(=O)C1=CCOC=C1 Amb15692807 [0,0,0,0,2,0|1,0,1]=4 3020 B11R1.16 CCOC(=O)N1C=CCC=C1 Amb24060183 [0,0,0,0,2,0|1,0,1]=4 3021 B11R1.16 CCOC(=O)N1CC=CC=C1 Amb24060015 [0,0,0,0,2,0|1,0,1]=4 3022 B11R1.16 CCOC(=O)c1[n]ccc[n]1 Amb19930079 [0,0,0,0,2,0|2,0,0]=4 3023 B11R1.16 CCOC(=O)c1ccc[n][n]1 Amb22494293 [0,0,0,0,2,0|2,0,0]=4 3024 B11R1.16 CCOC(=O)c1ccccc1 Amb22367067 [0,0,0,0,2,0|0,0,0]=2 3025 B11R1.16 CCOC(=O)c1ccncc1 Amb1210124 [0,0,0,0,2,0|1,0,0]=3 3026 B11R1.16 CCOC(=[NH2+])c1ccccc1 Amb22445379 [0,0,0,0,2,0|1,0,0]=3 3027 B11R1.16 CCOC(C)c1ccccc1 Amb17940188 [0,0,0,0,2,0|1,0,1]=4 3028 B11R1.16 CCOC(Cl)c1ccccc1 Amb24419639 [0,0,0,0,2,0|1,0,1]=4 3029 B11R1.16 CCOP(=O)c1cccc[n]1 Amb24563590 [0,0,0,0,2,0|2,0,0]=4 3030 B11R1.16 CCOP(=O)c1ccccc1 Amb10601587 [0,0,0,0,2,0|1,0,0]=3 3031 B11R1.16 CCO[13C](=O)[13c]1[13cH][13cH][13cH][n][13cH]1 Amb22055230 [0,0,0,0,2,0|1,0,0]=3 3032 B11R1.16 CC\N=C(\Cl)/c1ccccc1 Amb24463735 [0,0,0,0,2,0|2,0,0]=4 3033 B11R1.16 CNNC(=O)c1ccccc1 Amb24096729 [0,0,0,0,2,0|2,0,0]=4 3034 B11R1.16 CNOC(=O)c1ccccc1 Amb25240574 [0,0,0,0,2,0|1,0,0]=3 3035 B11R1.16 CONC(=O)c1ccccc1 Amb16969913 [0,0,0,0,2,0|2,0,0]=4 3036 B11R1.16 C[NH2+]OC(=O)c1ccccc1 Amb22352804 [0,0,0,0,2,0|1,0,0]=3 3037 B11R1.16 C\C(=C/CC)\c1ccccc1 Amb25151168 [0,0,0,0,2,0|2,0,0]=4 3038 B11R1.16 C\C=C\C(=O)c1ccccc1 Amb10574126 [0,0,0,0,2,0|1,0,1]=4 3039 B11R1.16 C\C=N/C(=O)c1ccccc1 Amb24072877 [0,0,0,0,2,0|1,0,1]=4 3040 B11R1.16 C\C=N\C(=O)c1ccccc1 Amb24563950 [0,0,0,0,2,0|1,0,1]=4 3041 B11R1.16 FCCC(=O)c1ccccc1 Amb10603695 [0,0,0,0,2,0|2,0,0]=4 3042 B11R1.16 NCNC(=O)c1ccccc1 Amb24072660 [0,0,0,0,2,0|2,0,0]=4 3043 B11R1.16 O=C(NCBr)c1ccccc1 Amb25772077 [0,0,0,0,2,0|2,0,0]=4 3044 B11R1.16 O=C(OCCl)c1ccccc1 Amb19958719 [0,0,0,0,2,0|1,0,0]=3 3045 B11R1.16 O=C(OCI)c1ccccc1 Amb25148286 [0,0,0,0,2,0|1,0,0]=3 3046 B11R1.16 OCCC(=O)c1ccccc1 Amb16231606 [0,0,0,0,2,0|2,0,0]=4 3047 B11R1.16 OCNC(=O)c1ccccc1 Amb1200467 [0,0,0,0,2,0|2,0,0]=4 3048 B11R1.16 OCOC(=O)c1ccc[n]c1 Amb24062492 [0,0,0,0,2,0|2,0,0]=4 3049 B11R1.16 OCOC(=O)c1ccccc1 Amb25115920 [0,0,0,0,2,0|1,0,0]=3 3050 B11R1.16 SCCC(=O)c1ccccc1 Amb17400214 [0,0,0,0,2,0|2,0,0]=4 3051 B11R1.16 [13CH3]COC(=O)[13c]1[13cH][n][13cH][13cH][13cH]1 Amb22367448 [0,0,0,0,2,0|1,0,0]=3 3052 B11R1.30 CCOC(=O)Cc1c[nH]cc1 Amb24764558 [0,0,0,0,2,0|1,0,1]=4 3053 B11R1.30 CCOC(=O)Cc1ccc[nH]1 Amb17938824 [0,0,0,0,2,0|1,0,1]=4 3054 B11R1.30 CCOC(=O)Cn1cccc1 Amb2236263 [0,0,0,0,2,0|1,0,1]=4 3055 B11R1.30 CCOC(=O)Nc1cc[s]c1 Amb24683773 [0,0,0,0,2,0|2,0,0]=4 3056 B11R1.30 CCOC(=O)Nc1ccc[nH]1 Amb19651842 [0,0,0,0,2,0|2,0,0]=4 3057 B11R1.30 CCOC(=O)Nc1ccco1 Amb24744539 [0,0,0,0,2,0|2,0,0]=4 3058 B11R1.30 CCOC(=O)Nc1cccs1 Amb17935663 [0,0,0,0,2,0|2,0,0]=4 3059 B11R1.30 CCOC(=O)Oc1ccco1 Amb25383238 [0,0,0,0,2,0|2,0,0]=4 3060 B15R1.778 CCCC(=O)OCC=Cc1ccccc1 Amb24323618 [0,0,0,0,0,2|1,0,0]=3 3061 B15R1.778 CCOC(=O)CCCNc1ccccc1 Amb22540438 [0,0,0,0,0,2|0,0,2]=4 3062 B15R1.778 CCOC(=O)CCCOc1ccccc1 Amb22730739 [0,0,0,0,0,2|0,0,2]=4 3063 B15R1.778 CCOC(=O)CCCSc1ccccc1 Amb19888704 [0,0,0,0,0,2|0,0,2]=4 3064 B15R1.778 CCOC(=O)CCNCc1ccccc1 Amb1930738 [0,0,0,0,0,2|0,0,2]=4 3065 B15R1.778 CCOC(=O)CNOCc1ccccc1 Amb13884841 [0,0,0,0,0,2|0,0,2]=4 3066 B15R1.778 CCOC(=O)CON=Cc1cccc[n]1 Amb22480608 [0,0,0,0,0,2|1,0,1]=4 3067 B15R1.778 CCOC(=O)NNCCc1ccccc1 Amb24103548 [0,0,0,0,0,2|0,0,2]=4 3068 B15R1.778 CCOC(=O)\C=C/NCc1ccccc1 Amb24749367 [0,0,0,0,0,2|0,0,0]=2 3069 B15R1.778 CCOC(=O)\C=C\CCc1ccccc1 Amb10067182 [0,0,0,0,0,2|0,0,0]=2