0 B14R1.156 BrCCCC(=O)OCc1ccccc1 Amb2413170 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.156 BrCCNC(=O)C#Cc1ccccc1 Amb10572777 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.156 BrCCNC(=O)OCc1ccccc1 Amb10608828 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.156 C#CCOC(=O)OCc1ccccc1 Amb25777078 [0,0,0,0,0,0|1,0,3]=4 4 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 Amb15739664 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.156 CCCCC(=O)NNc1ccccc1 Amb22445767 [0,0,0,0,0,0|3,0,0]=3 6 B14R1.156 CCCCC(=O)OCc1ccccc1 Amb16192632 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.156 CCCCC(=O)SCc1ccccc1 Amb10562264 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.156 CCCCC(=S)NCc1ccccc1 Amb10561695 [0,0,0,0,0,0|2,1,1]=4 9 B14R1.156 CCCNC(=N)NCc1ccccc1 Amb19073532 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.156 CCCNC(=O)C#Cc1ccccc1 Amb24674279 [0,0,0,0,0,0|1,0,2]=3 11 B14R1.156 CCCNC(=O)CCc1ccccn1 Amb16919515 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.156 CCCNC(=O)CSc1ccccn1 Amb11211215 [0,0,0,0,0,0|3,0,1]=4 13 B14R1.156 CCCNC(=O)NCc1c[n]ccc1 Amb23263147 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.156 CCCNC(=O)NCc1cccc[n]1 Amb23263146 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.156 CCCOC(=S)NCc1ccccc1 Amb24418420 [0,0,0,0,0,0|1,1,1]=3 17 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.156 CCONC(=O)CCc1ccccc1 Amb10705048 [0,0,0,0,0,0|2,0,2]=4 19 B14R1.156 CCONC(=O)CSc1ccccc1 Amb20866349 [0,0,0,0,0,0|3,0,1]=4 20 B14R1.156 CCONC(=O)OCc1ccccc1 Amb24372859 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.156 CCSNC(=O)NCc1ccccc1 Amb22341977 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.156 CC\C=C/C(=O)NCc1ccccc1 Amb24378106 [0,0,0,0,0,0|2,0,2]=4 23 B14R1.156 CC\C=C\C(=O)C#Cc1ccccc1 Amb25701123 [0,0,0,0,0,0|1,0,3]=4 24 B14R1.156 CNCCC(=O)C#Cc1ccccc1 Amb25031246 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [0,0,0,0,0,0|3,0,1]=4 26 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [0,0,0,0,0,0|3,0,1]=4 27 B14R1.156 CNCNC(=O)OCc1ccccc1 Amb24451123 [0,0,0,0,0,0|3,0,1]=4 28 B14R1.156 CSCCC(=O)C#Cc1ccccc1 Amb24632114 [0,0,0,0,0,0|2,0,2]=4 29 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.156 N#CCOC(=O)\C=C/c1ccccc1 Amb2422957 [0,0,0,0,0,0|1,0,1]=2 31 B14R1.156 NCCNC(=O)C#Cc1ccccc1 Amb18304550 [0,0,0,0,0,0|2,0,2]=4 32 B14R1.156 NCCNC(=O)NCc1ccccc1 Amb17235652 [0,0,0,0,0,0|3,0,1]=4 33 B14R1.156 NCCSC(=O)NCc1ccccc1 Amb25165890 [0,0,0,0,0,0|2,1,1]=4 34 B14R1.156 O=C(CCCBr)C#Cc1ccccc1 Amb24362877 [0,0,0,0,0,0|2,0,2]=4 35 B14R1.156 O=C(CCCCl)C#Cc1ccccc1 Amb25819363 [0,0,0,0,0,0|2,0,2]=4 36 B14R1.156 O=C(CCCCl)OCc1ccccc1 Amb19960308 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.156 O=C(COc1ccccc1)OCCBr Amb24065427 [0,0,0,0,0,0|2,0,1]=3 38 B14R1.156 O=C(NCCF)NCc1ccccc1 Amb25113255 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.156 O=C(NCCI)OCc1ccccc1 Amb21962791 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.156 O=C(NCCS)NNc1ccccc1 Amb24680332 [0,0,0,0,0,0|4,0,0]=4 41 B14R1.156 O=C(NCCS)OCc1ccccc1 Amb24506531 [0,0,0,0,0,0|3,0,1]=4 42 B14R1.156 O=C(NCc1ccccc1)OCCI Amb24696581 [0,0,0,0,0,0|2,0,1]=3 43 B14R1.156 O=C(NCc1ccccc1)OCCS Amb25756215 [0,0,0,0,0,0|2,0,1]=3 44 B14R1.156 OCC#CC(=O)\C=C\c1ccccc1 Amb24355167 [0,0,0,0,0,0|2,0,1]=3 45 B14R1.156 OCCCC(=O)C#Cc1ccccc1 Amb25835473 [0,0,0,0,0,0|2,0,2]=4 46 B14R1.156 OCCNC(=O)OCc1ccccc1 Amb17719245 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.156 OCCOC(=O)C#Cc1ccccc1 Amb25357325 [0,0,0,0,0,0|1,0,2]=3 48 B14R1.156 OCCOC(=O)NCc1ccccc1 Amb24335977 [0,0,0,0,0,0|2,0,1]=3 49 B14R1.156 O[13CH2][13CH2][15NH]C(=O)OCc1ccccc1 Amb17609202 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [1,0,0,0,0,0|1,0,1]=3 51 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [1,0,0,0,0,0|1,0,1]=3 52 B13R1.28 CCCOCCCc1ccccc1 Amb24063573 [1,0,0,0,0,0|0,0,3]=4 53 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.28 NCCNC\C=C\c1ccccc1 Amb23595759 [1,0,0,0,0,0|2,0,1]=4 55 B13R1.28 OCCC#C\C=C\c1ccccc1 Amb25180160 [1,0,0,0,0,0|2,0,1]=4 56 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [1,0,0,0,0,0|2,0,1]=4 57 B13R1.42 BrCCC(=O)NCc1ccccc1 Amb17084003 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.42 C=C=CC(=O)\C=C\c1ccccc1 Amb24724007 [1,0,0,0,0,0|0,0,3]=4 59 B13R1.42 C=COC(=O)\C=C\c1ccccc1 Amb10807746 [1,0,0,0,0,0|0,0,2]=3 60 B13R1.42 CC#CC(=O)\C=C\c1ccccc1 Amb24580491 [1,0,0,0,0,0|0,0,2]=3 61 B13R1.42 CCCC(=O)C#Cc1ccccc1 Amb17594320 [1,0,0,0,0,0|0,0,2]=3 62 B13R1.42 CCCC(=O)NNc1c[n]ccc1 Amb25098278 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.42 CCCC(=O)NNc1cccc[n]1 Amb24705336 [1,0,0,0,0,0|3,0,0]=4 64 B13R1.42 CCCC(=S)NCc1ccccc1 Amb25835568 [1,0,0,0,0,0|1,1,1]=4 65 B13R1.42 CCNC(=O)NCc1ccccc1 Amb2236980 [1,0,0,0,0,0|2,0,1]=4 66 B13R1.42 CCNC(=O)NNc1ccccc1 Amb24710661 [1,0,0,0,0,0|3,0,0]=4 67 B13R1.42 CCNC(=O)OCc1ccccc1 Amb24375743 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.42 CCNC(=O)\C=C\c1ccc[n]c1 Amb25821659 [1,0,0,0,0,0|2,0,0]=3 69 B13R1.42 CCNC(=S)\C=C\c1ccccc1 Amb24606964 [1,0,0,0,0,0|1,1,0]=3 70 B13R1.42 CCOC(=O)C#Cc1cccc[n]1 Amb24494363 [1,0,0,0,0,0|1,0,2]=4 71 B13R1.42 CCOC(=O)CNc1ccc[n]c1 Amb24180824 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.42 CCOC(=O)CNc1cccc[n]1 Amb18181060 [1,0,0,0,0,0|2,0,1]=4 73 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [1,0,0,0,0,0|1,0,1]=3 74 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [1,0,0,0,0,0|1,0,1]=3 75 B13R1.42 CCOC(=O)COc1cccc[n]1 Amb22493952 [1,0,0,0,0,0|2,0,1]=4 76 B13R1.42 CCOC(=O)CSc1cc[n]cc1 Amb24103490 [1,0,0,0,0,0|2,0,1]=4 77 B13R1.42 CCOC(=O)CSc1ccc[n]c1 Amb24103483 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [1,0,0,0,0,0|1,0,1]=3 79 B13R1.42 CCOC(=O)NCc1ccccn1 Amb10553732 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.42 CCOC(=O)NNc1cc[n]cc1 Amb24530140 [1,0,0,0,0,0|3,0,0]=4 81 B13R1.42 CCOC(=O)NNc1cccc[n]1 Amb25681252 [1,0,0,0,0,0|3,0,0]=4 82 B13R1.42 CCOC(=O)NSc1cccc[n]1 Amb24103464 [1,0,0,0,0,0|3,0,0]=4 83 B13R1.42 CCOC(=O)\C=C/c1ccccc1 Amb17613997 [1,0,0,0,0,0|0,0,0]=1 84 B13R1.42 CCOC(=O)\C=C\c1c[n]c[n]c1 Amb23571324 [1,0,0,0,0,0|2,0,0]=3 85 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb15695131 [1,0,0,0,0,0|1,0,0]=2 86 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [1,0,0,0,0,0|1,0,0]=2 87 B13R1.42 CCOC(=S)NCc1ccccc1 Amb25313123 [1,0,0,0,0,0|1,1,1]=4 88 B13R1.42 CCOC(=S)SCc1ccccc1 Amb10560707 [1,0,0,0,0,0|1,1,1]=4 89 B13R1.42 CCO\C(\N)=N\Cc1ccccc1 Amb25138606 [1,0,0,0,0,0|2,0,1]=4 90 B13R1.42 CNCC(=O)C#Cc1ccccc1 Amb24383348 [1,0,0,0,0,0|1,0,2]=4 91 B13R1.42 CNCC(=O)NCc1ccccc1 Amb21959039 [1,0,0,0,0,0|2,0,1]=4 92 B13R1.42 CNCC(=O)NNc1ccccc1 Amb24735727 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.42 CNCC(=O)OCc1ccccc1 Amb18809175 [1,0,0,0,0,0|2,0,1]=4 94 B13R1.42 CNCC(=O)OCc1ccccc1 Amb21929370 [1,0,0,0,0,0|2,0,1]=4 95 B13R1.42 CNCC(=O)OCc1ccccc1 Amb22002169 [1,0,0,0,0,0|2,0,1]=4 96 B13R1.42 COCC(=O)CCc1ccccc1 Amb10563175 [1,0,0,0,0,0|1,0,2]=4 97 B13R1.42 COCC(=O)NNc1ccccc1 Amb25052871 [1,0,0,0,0,0|3,0,0]=4 98 B13R1.42 CONC(=O)\C=C\c1cc[n]cc1 Amb24450719 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.42 CSCC(=O)C#Cc1ccccc1 Amb24440307 [1,0,0,0,0,0|1,0,2]=4 100 B13R1.42 CSCC(=O)NCc1ccccc1 Amb19382179 [1,0,0,0,0,0|2,0,1]=4 101 B13R1.42 CSCC(=O)NNc1ccccc1 Amb25145264 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.42 C\C=C/C(=O)\C=C\c1ccccc1 Amb25093685 [1,0,0,0,0,0|0,0,2]=3 103 B13R1.42 C\C=C\C(=O)C=Cc1cccc[n]1 Amb24721749 [1,0,0,0,0,0|1,0,2]=4 104 B13R1.42 C\C=C\C(=O)\C=C\c1cccc[n]1 Amb24640045 [1,0,0,0,0,0|1,0,2]=4 105 B13R1.42 ClCCC(=O)NCc1ccccc1 Amb1931859 [1,0,0,0,0,0|2,0,1]=4 106 B13R1.42 NCCC(=O)NCc1ccccc1 Amb15740949 [1,0,0,0,0,0|2,0,1]=4 107 B13R1.42 NCCC(=O)OCc1ccccc1 Amb15690782 [1,0,0,0,0,0|2,0,1]=4 108 B13R1.42 NCCC(=O)OCc1ccccc1 Amb20626398 [1,0,0,0,0,0|2,0,1]=4 109 B13R1.42 N\C=C/C(=O)C=Cc1ccccc1 Amb25701706 [1,0,0,0,0,0|1,0,2]=4 110 B13R1.42 O=C(C=Cc1ccccc1)N=C=S Amb24062196 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.42 O=C(CCBr)C#Cc1ccccc1 Amb24379645 [1,0,0,0,0,0|1,0,2]=4 112 B13R1.42 O=C(CCBr)OCc1ccccc1 Amb22232000 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.42 O=C(CCCl)C#Cc1ccccc1 Amb24431018 [1,0,0,0,0,0|1,0,2]=4 114 B13R1.42 O=C(CCF)OCc1ccccc1 Amb22497154 [1,0,0,0,0,0|2,0,1]=4 115 B13R1.42 O=C(CCS)OCc1ccccc1 Amb24495479 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.42 O=C(NCc1ccccc1)OCCl Amb24635651 [1,0,0,0,0,0|2,0,1]=4 117 B13R1.42 O=C(NCc1ccccc1)OCF Amb25090863 [1,0,0,0,0,0|2,0,1]=4 118 B13R1.42 O=C(\C=C\c1ccccc1)N=C=O Amb24589372 [1,0,0,0,0,0|2,0,1]=4 119 B13R1.42 O=C(\C=C\c1ccccc1)\C=C\Cl Amb25717009 [1,0,0,0,0,0|1,0,2]=4 120 B13R1.42 OCCC(=O)NCc1ccccc1 Amb17335299 [1,0,0,0,0,0|2,0,1]=4 121 B13R1.42 OCCC(=O)OCc1ccccc1 Amb17609079 [1,0,0,0,0,0|2,0,1]=4 122 B13R1.42 O\C=C\C(=O)C=Cc1ccccc1 Amb25708247 [1,0,0,0,0,0|1,0,2]=4 123 B13R1.42 O\N=C\C(=O)\C=C\c1ccccc1 Amb25065153 [1,0,0,0,0,0|2,0,1]=4 124 B13R1.42 [N-]=[N+]=CC(=O)\C=C\c1ccccc1 Amb20248597 [1,0,0,0,0,0|2,0,1]=4 125 B13R1.42 [N-]=[N+]=NC(=O)\C=C\c1ccccc1 Amb10574754 [1,0,0,0,0,0|3,0,0]=4 126 B15R1.78 BrCCCCC(=O)NCc1ccccc1 Amb17274561 [0,1,0,0,0,0|2,0,1]=4 127 B15R1.78 BrCCCNC(=O)OCc1ccccc1 Amb10608829 [0,1,0,0,0,0|2,0,1]=4 128 B15R1.78 C#CCCNC(=O)\C=C\c1ccccc1 Amb21942377 [0,1,0,0,0,0|1,0,1]=3 129 B15R1.78 CC=CCOC(=O)C=Cc1ccccc1 Amb21195575 [0,1,0,0,0,0|0,0,1]=2 130 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [0,1,0,0,0,0|2,0,1]=4 131 B15R1.78 CCCCNC(=O)C=Cc1ccc[n]c1 Amb20911325 [0,1,0,0,0,0|2,0,0]=3 132 B15R1.78 CCCCNC(=O)CNc1ccccc1 Amb17140118 [0,1,0,0,0,0|2,0,1]=4 133 B15R1.78 CCCCNC(=O)CSc1ccccc1 Amb1229680 [0,1,0,0,0,0|2,0,1]=4 134 B15R1.78 CCCCNC(=O)NCc1ccccc1 Amb2236966 [0,1,0,0,0,0|2,0,1]=4 135 B15R1.78 CCCCOC(=O)COc1ccccc1 Amb22269146 [0,1,0,0,0,0|1,0,1]=3 136 B15R1.78 CCCCOC(=O)OCc1ccccc1 Amb25030436 [0,1,0,0,0,0|1,0,1]=3 137 B15R1.78 CCCNCC(=O)OCc1ccccc1 Amb24665491 [0,1,0,0,0,0|2,0,1]=4 138 B15R1.78 CCCNNC(=O)OCc1ccccc1 Amb25033630 [0,1,0,0,0,0|2,0,1]=4 139 B15R1.78 CCCOCC(=O)NCc1ccccc1 Amb12781055 [0,1,0,0,0,0|1,0,1]=3 140 B15R1.78 CCCONC(=N)NCc1ccccc1 Amb25031236 [0,1,0,0,0,0|2,0,1]=4 141 B15R1.78 CCCONC(=O)OCc1ccccc1 Amb25110682 [0,1,0,0,0,0|1,0,1]=3 142 B15R1.78 CCC\C=C\C(=O)OCc1ccccc1 Amb10572343 [0,1,0,0,0,0|2,0,1]=4 143 B15R1.78 CCNCCC(=O)NCc1ccccc1 Amb24440745 [0,1,0,0,0,0|2,0,1]=4 144 B15R1.78 CNCCCC(=O)NCc1ccccc1 Amb25054837 [0,1,0,0,0,0|2,0,1]=4 145 B15R1.78 CNCCNC(=O)NCc1ccccc1 Amb25729763 [0,1,0,0,0,0|2,0,1]=4 146 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [0,1,0,0,0,0|2,0,1]=4 147 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [0,1,0,0,0,0|2,0,1]=4 148 B15R1.78 COCCNC(=O)CNc1ccccc1 Amb10613754 [0,1,0,0,0,0|2,0,1]=4 149 B15R1.78 COCCNC(=O)NCc1ccccc1 Amb16003926 [0,1,0,0,0,0|2,0,1]=4 150 B15R1.78 CSCCCC(=O)NCc1ccccc1 Amb18411859 [0,1,0,0,0,0|2,0,1]=4 151 B15R1.78 NCCCCC(=O)NCc1ccccc1 Amb25766130 [0,1,0,0,0,0|2,0,1]=4 152 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [0,1,0,0,0,0|2,0,1]=4 153 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [0,1,0,0,0,0|2,0,1]=4 154 B15R1.78 NCCCNC(=O)CCc1ccccc1 Amb25388444 [0,1,0,0,0,0|1,0,2]=4 155 B15R1.78 NCCCNC(=O)CNc1ccccc1 Amb24770564 [0,1,0,0,0,0|2,0,1]=4 156 B15R1.78 NCCCNC(=O)COc1ccccc1 Amb25388464 [0,1,0,0,0,0|2,0,1]=4 157 B15R1.78 NCCCNC(=O)CSc1ccccc1 Amb24772632 [0,1,0,0,0,0|2,0,1]=4 158 B15R1.78 NCCCNC(=O)NCc1ccccc1 Amb24706325 [0,1,0,0,0,0|2,0,1]=4 159 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [0,1,0,0,0,0|2,0,1]=4 160 B15R1.78 O=C(CCCCBr)OCc1ccccc1 Amb22897246 [0,1,0,0,0,0|2,0,1]=4 161 B15R1.78 O=C(NCc1ccccc1)OCCCCl Amb24758392 [0,1,0,0,0,0|1,0,1]=3 162 B15R1.78 O=C(NOCCF)OCc1ccccc1 Amb22897052 [0,1,0,0,0,0|2,0,1]=4 163 B15R1.78 OCCCCC(=O)OCc1ccccc1 Amb25832761 [0,1,0,0,0,0|2,0,1]=4 164 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [0,1,0,0,0,0|2,0,1]=4 165 B15R1.115 C=CCNC(=O)\C=C(\c1ccccc1)/C Amb16797052 [0,1,0,0,0,0|1,0,2]=4 166 B15R1.115 CCCCC(=O)NN(c1ccccc1)C Amb1798278 [0,1,0,0,0,0|3,0,0]=4 167 B15R1.115 CCCNC(=O)CC(N)c1ccccc1 Amb25388579 [0,1,0,0,0,0|1,0,2]=4 168 B15R1.115 CCCNC(=O)CN(c1ccccc1)C Amb13960760 [0,1,0,0,0,0|2,0,1]=4 169 B15R1.115 CCCNC(=O)N[C@@H](C)c1ccccc1 Amb23263140 [0,1,0,0,0,0|2,0,1]=4 170 B15R1.115 CCCNC(=O)\C=C(\c1ccccc1)/C Amb16797049 [0,1,0,0,0,0|1,0,0]=2 171 B15R1.115 CCCNC(=S)NC(=O)c1ccccc1 Amb1840613 [0,1,0,0,0,0|2,1,0]=4 172 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl Amb11229967 [0,1,0,0,0,0|1,0,2]=4 173 B15R1.127 C=CCNC(=O)C=Cc1cccc(Br)c1 Amb22265979 [0,1,0,0,0,0|1,0,2]=4 174 B15R1.127 C=CCNC(=O)\C=C\c1cccc(c1)N Amb17139869 [0,1,0,0,0,0|1,0,2]=4 175 B15R1.127 CCCCC(=O)NCc1cccc(Br)c1 Amb21263666 [0,1,0,0,0,0|2,0,1]=4 176 B15R1.127 CCCCC(=O)NCc1cccc(F)c1 Amb21262603 [0,1,0,0,0,0|2,0,1]=4 177 B15R1.127 CCCNC(=O)C=Cc1cc(F)ccc1 Amb22269171 [0,1,0,0,0,0|1,0,0]=2 178 B15R1.127 CCCNC(=O)CCc1cccc(Br)c1 Amb21521596 [0,1,0,0,0,0|1,0,2]=4 179 B15R1.127 CCCNC(=O)CCc1cccc(c1)Cl Amb16947648 [0,1,0,0,0,0|1,0,2]=4 180 B15R1.127 CCCNC(=O)CCc1cccc(c1)F Amb16947763 [0,1,0,0,0,0|1,0,2]=4 181 B15R1.127 CCCNC(=O)COc1cccc(F)c1 Amb22275535 [0,1,0,0,0,0|2,0,1]=4 182 B15R1.127 CCCNC(=O)COc1cccc(I)c1 Amb22275547 [0,1,0,0,0,0|2,0,1]=4 183 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl Amb11224208 [0,1,0,0,0,0|2,0,1]=4 184 B15R1.127 CCCNC(=O)NNc1cccc(c1)C Amb2330186 [0,1,0,0,0,0|3,0,0]=4 185 B15R1.127 CCCNC(=O)\C=C\c1cccc(c1)N Amb17139962 [0,1,0,0,0,0|1,0,0]=2 186 B15R1.127 CCCOC(=O)COc1cccc(N)c1 Amb23003482 [0,1,0,0,0,0|1,0,1]=3 187 B15R1.127 CCCOC(=O)\C=C\c1cc(O)ccc1 Amb22433226 [0,1,0,0,0,0|0,0,0]=1 188 B15R1.127 Cc1cc(C=CC(=O)NCC=C)ccc1 Amb21128854 [0,1,0,0,0,0|1,0,2]=4 189 B15R1.127 Cc1cc(C=CC(=O)NCCC)ccc1 Amb20694766 [0,1,0,0,0,0|1,0,0]=2 190 B15R1.127 Cc1cc(CCC(=O)NCCC)ccc1 Amb21186864 [0,1,0,0,0,0|1,0,2]=4 191 B15R1.127 Cc1cc(CNC(=O)CCCC)ccc1 Amb21807333 [0,1,0,0,0,0|2,0,1]=4 192 B15R1.127 Cc1cc(CNC(=O)NCCC)ccc1 Amb23263212 [0,1,0,0,0,0|2,0,1]=4 193 B15R1.139 Brc1ccc(cc1)/C=C/C(=O)NCC=C Amb17792612 [0,1,0,0,0,0|1,0,2]=4 194 B15R1.139 C#CCNC(=O)\C=C\c1ccc(cc1)Cl Amb11229948 [0,1,0,0,0,0|1,0,2]=4 195 B15R1.139 C#CCOC(=O)C=Cc1ccc(F)cc1 Amb21525234 [0,1,0,0,0,0|0,0,2]=3 196 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C Amb10561850 [0,1,0,0,0,0|1,0,2]=4 197 B15R1.139 CCCNC(=O)/C=C/c1ccc(Br)cc1 Amb17860747 [0,1,0,0,0,0|1,0,0]=2 198 B15R1.139 CCCNC(=O)CCc1ccc(Cl)cc1 Amb21186866 [0,1,0,0,0,0|1,0,2]=4 199 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C Amb10621542 [0,1,0,0,0,0|1,0,2]=4 200 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F Amb16947649 [0,1,0,0,0,0|1,0,2]=4 201 B15R1.139 CCCNC(=O)COc1ccc(I)cc1 Amb21368561 [0,1,0,0,0,0|2,0,1]=4 202 B15R1.139 CCCNC(=O)CSc1ccc(F)cc1 Amb21119214 [0,1,0,0,0,0|2,0,1]=4 203 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C Amb1769874 [0,1,0,0,0,0|2,0,1]=4 204 B15R1.139 CCCNC(=O)NCc1ccc(F)cc1 Amb23263217 [0,1,0,0,0,0|2,0,1]=4 205 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C Amb139326 [0,1,0,0,0,0|2,0,1]=4 206 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl Amb168256 [0,1,0,0,0,0|2,0,1]=4 207 B15R1.139 CCCNC(=O)NNc1ccc(cc1)F Amb11224184 [0,1,0,0,0,0|3,0,0]=4 208 B15R1.139 CCCOC(=O)C=Cc1ccc(Cl)cc1 Amb22269215 [0,1,0,0,0,0|0,0,0]=1 209 B15R1.139 CCCOC(=O)CSc1ccc(Br)cc1 Amb22284901 [0,1,0,0,0,0|1,0,1]=3 210 B15R1.139 CCCOC(=O)NCc1ccc(Cl)cc1 Amb22474180 [0,1,0,0,0,0|1,0,1]=3 211 B15R1.139 Cc1ccc(cc1)NNC(=O)CCCC Amb22359207 [0,1,0,0,0,0|3,0,0]=4 212 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCC Amb20676469 [0,1,0,0,0,0|2,0,1]=4 213 B15R1.139 Cc1ccc(cc1)OCC(=O)OCCC Amb22269222 [0,1,0,0,0,0|1,0,1]=3 214 B15R1.139 Cc1ccc(cc1)\C=C\C(=O)NCCN Amb18619939 [0,1,0,0,0,0|2,0,0]=3 215 B15R1.139 N#CCNC(=O)\C=C\c1ccc(cc1)Cl Amb1924358 [0,1,0,0,0,0|2,0,1]=4 216 B15R1.139 Nc1ccc(cc1)OCC(=O)OCCO Amb22233287 [0,1,0,0,0,0|2,0,1]=4 217 B15R1.139 O=C(COc1ccc(Cl)cc1)OCCCl Amb24065570 [0,1,0,0,0,0|2,0,1]=4 218 B15R1.139 OCCNC(=O)\C=C/c1ccc(Cl)cc1 Amb23504478 [0,1,0,0,0,0|2,0,0]=3 219 B15R1.551 C=CCNC(=O)\C(=C\c1ccccc1)\C Amb16799064 [0,1,0,0,0,0|1,0,2]=4 220 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 Amb10559246 [0,1,0,0,0,0|2,0,0]=3 221 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 Amb1548767 [0,1,0,0,0,0|2,0,0]=3 222 B15R1.551 CCCNC(=O)C(N)Cc1ccccc1 Amb21958680 [0,1,0,0,0,0|1,0,2]=4 223 B15R1.551 CCCNC(=O)N(Cc1ccccc1)C Amb2553626 [0,1,0,0,0,0|2,0,1]=4 224 B15R1.551 CCCNC(=O)\C(=C\c1ccccc1)\C Amb1853628 [0,1,0,0,0,0|1,0,0]=2 225 B15R1.551 CCCOC(=O)C(C)Oc1ccccc1 Amb22269212 [0,1,0,0,0,0|1,0,1]=3 226 B15R1.551 CN(Cc1ccccc1)C(=O)OCCO Amb25141133 [0,1,0,0,0,0|2,0,1]=4 227 B15R1.551 CSCOC(=O)C(C)Oc1ccccc1 Amb22476711 [0,1,0,0,0,0|2,0,1]=4 228 B15R1.551 OCCNC(=O)C(=O)Nc1ccccc1 Amb1813199 [0,1,0,0,0,0|3,0,0]=4 229 B15R1.741 CC(CBr)OC(=O)NCc1ccccc1 Amb24757511 [0,1,0,0,0,0|2,0,1]=4 230 B15R1.741 CC(CCl)OC(=O)NCc1ccccc1 Amb24341007 [0,1,0,0,0,0|2,0,1]=4 231 B15R1.741 CC(CO)OC(=O)NCc1ccccc1 Amb25770126 [0,1,0,0,0,0|2,0,1]=4 232 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 Amb25806017 [0,1,0,0,0,0|2,0,1]=4 233 B15R1.741 CCC(C)NC(=O)C=Cc1ccc[n]c1 Amb20911038 [0,1,0,0,0,0|2,0,0]=3 234 B15R1.741 CCC(C)NC(=O)CNc1ccccc1 Amb25388152 [0,1,0,0,0,0|2,0,1]=4 235 B15R1.741 CCC(C)NC(=O)OCc1ccccc1 Amb25365237 [0,1,0,0,0,0|2,0,1]=4 236 B15R1.741 CCC(NC(=O)NCc1ccccc1)C Amb2236967 [0,1,0,0,0,0|2,0,1]=4 237 B15R1.741 CCC(NC(=O)\C=C\c1ccccc1)C Amb10767561 [0,1,0,0,0,0|1,0,0]=2 238 B15R1.741 CC[C@@H](C)NC(=O)OCc1ccccc1 Amb25840930 [0,1,0,0,0,0|2,0,1]=4 239 B15R1.741 CC[C@@H](O)CC(=O)NCc1ccccc1 Amb25840901 [0,1,0,0,0,0|2,0,1]=4 240 B15R1.741 CC[C@H](C)NC(=O)NCc1ccccc1 Amb24694184 [0,1,0,0,0,0|2,0,1]=4 241 B15R1.741 CC[C@H](O)CC(=O)NCc1ccccc1 Amb24658296 [0,1,0,0,0,0|2,0,1]=4 242 B15R1.826 CCCC(=C)C(=O)OCc1ccccc1 Amb22360690 [0,1,0,0,0,0|2,0,1]=4 243 B15R1.826 CCCC(=O)C(=O)NCc1ccccc1 Amb25315088 [0,1,0,0,0,0|2,0,1]=4 244 B15R1.826 CCCC(N)C(=O)C#Cc1ccccc1 Amb24711596 [0,1,0,0,0,0|1,0,2]=4 245 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [0,1,0,0,0,0|2,0,1]=4 246 B15R1.826 CCCC(O)C(=O)C#Cc1ccccc1 Amb25773078 [0,1,0,0,0,0|1,0,2]=4 247 B15R1.826 CCCN(C)C(=O)NCc1ccccc1 Amb25218802 [0,1,0,0,0,0|2,0,1]=4 248 B15R1.826 CCCN(C)C(=O)OCc1ccccc1 Amb24730011 [0,1,0,0,0,0|2,0,1]=4 249 B15R1.826 CCC[C@@H](N)C(=O)NCc1ccccc1 Amb24426302 [0,1,0,0,0,0|2,0,1]=4 250 B15R1.826 CCC[C@@H](N)C(=O)OCc1ccccc1 Amb24555643 [0,1,0,0,0,0|2,0,1]=4 251 B15R1.826 CCC[C@H](N)C(=O)NCc1ccccc1 Amb24642523 [0,1,0,0,0,0|2,0,1]=4 252 B15R1.826 CCC[C@H](O)C(=O)OCc1ccccc1 Amb24373998 [0,1,0,0,0,0|2,0,1]=4 253 B15R1.826 CCOC(=O)C(=O)\C=C\c1ccccc1 Amb10567321 [0,1,0,0,0,0|2,0,0]=3 254 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F Amb11229884 [0,1,0,0,0,0|1,0,2]=4 255 B15R1.1208 C#CCNC(=O)\C=C\c1ccccc1Cl Amb11229979 [0,1,0,0,0,0|1,0,2]=4 256 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F Amb21128848 [0,1,0,0,0,0|1,0,2]=4 257 B15R1.1208 C=CCNC(=O)\C=C\c1ccccc1Cl Amb2456479 [0,1,0,0,0,0|1,0,2]=4 258 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl Amb10612579 [0,1,0,0,0,0|1,0,2]=4 259 B15R1.1208 CCCNC(=O)CCc1ccccc1F Amb16947650 [0,1,0,0,0,0|1,0,2]=4 260 B15R1.1208 CCCNC(=O)CCc1ccccc1O Amb21425859 [0,1,0,0,0,0|1,0,2]=4 261 B15R1.1208 CCCNC(=O)COc1ccccc1Cl Amb22269192 [0,1,0,0,0,0|2,0,1]=4 262 B15R1.1208 CCCNC(=O)CSc1ccccc1Br Amb21176529 [0,1,0,0,0,0|2,0,1]=4 263 B15R1.1208 CCCNC(=O)CSc1ccccc1F Amb21617928 [0,1,0,0,0,0|2,0,1]=4 264 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl Amb23263179 [0,1,0,0,0,0|2,0,1]=4 265 B15R1.1208 CCCOC(=O)COc1ccccc1F Amb22284900 [0,1,0,0,0,0|1,0,1]=3 266 B15R1.1208 CCCOC(=O)CSc1ccccc1Cl Amb22284902 [0,1,0,0,0,0|1,0,1]=3 267 B15R1.1208 Cc1ccccc1C=CC(=O)NCCC Amb22269172 [0,1,0,0,0,0|1,0,0]=2 268 B15R1.1208 Cc1ccccc1CNC(=O)NCCC Amb23263137 [0,1,0,0,0,0|2,0,1]=4 269 B15R1.1208 Cc1ccccc1OCC(=O)OCCC Amb22284898 [0,1,0,0,0,0|1,0,1]=3 270 B15R1.1208 OCCNC(=O)\C=C\c1ccccc1Cl Amb2000314 [0,1,0,0,0,0|2,0,0]=3 271 B15R1.1208 OCCOC(=O)COc1ccccc1O Amb1199349 [0,1,0,0,0,0|2,0,1]=4 272 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 Amb21683356 [0,1,0,0,0,0|2,0,1]=4 273 B15R1.5919 CC(C)CNC(=O)C=Cc1ccc[n]c1 Amb20911624 [0,1,0,0,0,0|2,0,0]=3 274 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 Amb25388154 [0,1,0,0,0,0|2,0,1]=4 275 B15R1.5919 CC(C)COC(=O)COc1ccccc1 Amb22732187 [0,1,0,0,0,0|1,0,1]=3 276 B15R1.5919 CC(CCC(=O)C#Cc1ccccc1)C Amb10562234 [0,1,0,0,0,0|1,0,2]=4 277 B15R1.5919 CC(CCC(=O)CCc1ccccc1)C Amb10561852 [0,1,0,0,0,0|1,0,2]=4 278 B15R1.5919 CC(CCC(=O)NCc1ccccc1)O Amb17338796 [0,1,0,0,0,0|2,0,1]=4 279 B15R1.5919 CC(CNC(=O)NCc1ccccc1)C Amb16864321 [0,1,0,0,0,0|2,0,1]=4 280 B15R1.5919 CC(F)CNC(=O)OCc1ccccc1 Amb25122755 [0,1,0,0,0,0|2,0,1]=4 281 B15R1.5919 CC(N)CCC(=O)C#Cc1ccccc1 Amb25772326 [0,1,0,0,0,0|1,0,2]=4 282 B15R1.5919 CC(N)CCC(=O)NCc1ccccc1 Amb25269991 [0,1,0,0,0,0|2,0,1]=4 283 B15R1.5919 CC(N)CCC(=O)OCc1ccccc1 Amb25671189 [0,1,0,0,0,0|2,0,1]=4 284 B15R1.5919 CC(N)CNC(=O)OCc1ccccc1 Amb25678582 [0,1,0,0,0,0|2,0,1]=4 285 B15R1.5919 CN(C)CCC(=O)\C=C\c1ccccc1 Amb22269286 [0,1,0,0,0,0|2,0,0]=3 286 B15R1.5919 CN(\C=C\C(=O)\C=C\c1ccccc1)C Amb2386553 [0,1,0,0,0,0|2,0,1]=4 287 B15R1.5919 CN(\C=N\C(=O)\C=C\c1ccccc1)C Amb2439281 [0,1,0,0,0,0|2,0,1]=4 288 B15R1.5919 O=C(\C=C/c1ccccc1)NCC(=O)O Amb16481031 [0,1,0,0,0,0|2,0,1]=4 289 B15R1.5919 O=C(\C=C\c1ccccc1)CCC(=O)O Amb2406416 [0,1,0,0,0,0|2,0,1]=4 290 B15R1.5919 O=C(\C=C\c1ccccc1)NCC(=O)O Amb1206359 [0,1,0,0,0,0|2,0,1]=4 291 B15R1.5919 O=C(\C=C\c1ccccc1)OCC(=O)N Amb1673092 [0,1,0,0,0,0|1,0,1]=3 292 B15R1.5934 CCCNS(=O)(=O)\C=C\c1ccccc1 Amb18861 [0,1,0,0,0,0|2,0,0]=3 293 B15R2.16 CCC1CC(=O)NC1c2ccccc2 Amb24638731 [0,0,0,1,0,0|2,0,1]=4 294 B15R2.16 CCC1OC(N)=NC1c2ccccc2 Amb24521081 [0,0,0,1,0,0|2,0,1]=4 295 B15R2.16 CCC=1NC(=O)SC1c2ccccc2 Amb25664272 [0,0,0,1,0,0|2,0,1]=4 296 B15R2.16 CCC=1OC(=O)NC1c2ccccc2 Amb25186078 [0,0,0,1,0,0|1,0,1]=3 297 B15R2.16 CCC=1SC(=O)NC1c2ccccc2 Amb19372954 [0,0,0,1,0,0|1,1,1]=4 298 B15R2.16 CC[C@@H]1NC(=O)N[C@H]1c2ccccc2 Amb24576663 [0,0,0,1,0,0|2,0,1]=4 299 B15R2.16 CC[C@@H]1OC(N)=N[C@@H]1c2ccccc2 Amb24696564 [0,0,0,1,0,0|2,0,1]=4 300 B15R2.16 CC[C@H]1NC(=O)N[C@H]1c2ccccc2 Amb24512970 [0,0,0,1,0,0|2,0,1]=4 301 B15R2.16 CC[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb25219860 [0,0,0,1,0,0|1,0,1]=3 302 B15R2.16 CCc1oc(S)[n]c1-c2ccccc2 Amb25679857 [0,0,0,1,0,0|1,1,1]=4 303 B15R2.16 NCC1OC(=O)NC1c2ccccc2 Amb24667668 [0,0,0,1,0,0|2,0,1]=4 304 B15R2.16 O=C1C=C(C(=CF)O1)c2ccccc2 Amb24093737 [0,0,0,1,0,0|1,0,2]=4 305 B15R2.16 O=C1C=C(\C(=C/F)\O1)c2ccccc2 Amb24667148 [0,0,0,1,0,0|1,0,2]=4 306 B15R2.16 O=C1C=C(\C(=C\F)\O1)c2ccccc2 Amb22497562 [0,0,0,1,0,0|1,0,2]=4 307 B15R2.16 O=C1N[C@@H]([C@@H](CCl)O1)c2ccccc2 Amb24604778 [0,0,0,1,0,0|2,0,1]=4 308 B15R2.16 OCC1OC(=O)CC1c2ccccc2 Amb24362713 [0,0,0,1,0,0|1,0,2]=4 309 B15R2.16 OC[C@H]1OC(=O)C[C@@H]1c2ccccc2 Amb24555531 [0,0,0,1,0,0|1,0,2]=4 310 B15R2.16 OC[C@H]1OC(=O)N[C@H]1c2ccccc2 Amb24653627 [0,0,0,1,0,0|2,0,1]=4 311 B15R2.16 OC[C@H]1OC(=O)O[C@@H]1c2ccccc2 Amb25222272 [0,0,0,1,0,0|2,0,1]=4 312 B15R2.16 OC[C@H]1OC(=O)O[C@H]1c2ccccc2 Amb25176737 [0,0,0,1,0,0|2,0,1]=4 313 B15R2.33 CC1=NNC(=O)C=C1c2ccccc2 Amb18319241 [0,0,0,1,0,0|2,0,1]=4 314 B15R2.33 CC1CCC(=O)C=C1c2ccccc2 Amb2226908 [0,0,0,1,0,0|1,0,0]=2 315 B15R2.33 CC1CNC(=O)CC1c2ccccc2 Amb24624648 [0,0,0,1,0,0|1,0,2]=4 316 B15R2.33 CC1CNC(=O)OC1c2ccccc2 Amb24393410 [0,0,0,1,0,0|2,0,1]=4 317 B15R2.33 CC1COC(=O)NC1c2ccccc2 Amb25752560 [0,0,0,1,0,0|1,0,1]=3 318 B15R2.33 CC=1CCC(=O)NC1c2ccccc2 Amb21951678 [0,0,0,1,0,0|2,0,1]=4 319 B15R2.33 C[C@@H]1CNC(=O)O[C@H]1c2ccccc2 Amb25226347 [0,0,0,1,0,0|2,0,1]=4 320 B15R2.33 C[C@@H]1COC(=O)N[C@H]1c2ccccc2 Amb24620897 [0,0,0,1,0,0|1,0,1]=3 321 B15R2.33 NC1COC(=O)CC1c2ccccc2 Amb25743549 [0,0,0,1,0,0|1,0,2]=4 322 B15R2.33 O=C1CCC(Cl)C(=N1)c2ccccc2 Amb25827129 [0,0,0,1,0,0|3,0,0]=4 323 B15R2.33 O=C1OCC(Cl)C(O1)c2ccccc2 Amb24422558 [0,0,0,1,0,0|2,0,1]=4 324 B15R2.33 OC1COC(=O)CC1c2ccccc2 Amb25855725 [0,0,0,1,0,0|1,0,2]=4 325 B15R2.33 O[C@@H]1COC(=O)C[C@H]1c2ccccc2 Amb24515421 [0,0,0,1,0,0|1,0,2]=4 326 B15R2.38 CC/1NCCC\C1=C/c2ccccc2 Amb25377978 [0,0,0,1,0,0|2,0,1]=4 327 B15R2.38 NC/1CCCC\C1=C/c2ccccc2 Amb18129720 [0,0,0,1,0,0|2,0,1]=4 328 B15R2.38 O=C/1C=CCC\C1=C/c2ccccc2 Amb2386555 [0,0,0,1,0,0|1,0,1]=3 329 B15R2.38 O=C/1CCCC\C1=C/c2c[n]ccc2 Amb24598643 [0,0,0,1,0,0|2,0,0]=3 330 B15R2.38 O=C/1CCCC\C1=C/c2ccccn2 Amb1486637 [0,0,0,1,0,0|2,0,0]=3 331 B15R2.38 O=C/1CCCC\C1=C/c2ccncc2 Amb1486636 [0,0,0,1,0,0|2,0,0]=3 332 B15R2.38 O=C/1CCCC\C1=C\c2c[n]ccc2 Amb25244737 [0,0,0,1,0,0|2,0,0]=3 333 B15R2.38 O=C/1CCOC\C1=C/c2ccccc2 Amb25266768 [0,0,0,1,0,0|2,0,0]=3 334 B15R2.38 O=C/1CCSC\C1=C/c2ccccc2 Amb25338444 [0,0,0,1,0,0|2,0,0]=3 335 B15R2.38 O=C/1OCCN\C1=C/c2ccccc2 Amb24727191 [0,0,0,1,0,0|1,0,0]=2 336 B15R2.38 O=C1CCCC=C1Nc2ccccc2 Amb24728356 [0,0,0,1,0,0|2,0,1]=4 337 B15R2.38 O=C1NCCCC1Cc2ccccc2 Amb10564225 [0,0,0,1,0,0|1,0,2]=4 338 B15R2.38 O=C1NCCCN1Cc2ccccc2 Amb24082235 [0,0,0,1,0,0|2,0,1]=4 339 B15R2.38 O[C@H]/1CCCC\C1=C/c2ccccc2 Amb25283236 [0,0,0,1,0,0|1,0,2]=4 340 B15R2.38 S=C/1NCCC\C1=C/c2ccccc2 Amb24375323 [0,0,0,1,0,0|1,1,0]=3 341 B15R2.283 CC1CCC(\C=C\c2ccccc2)N1 Amb24336772 [0,0,0,1,0,0|2,0,1]=4 342 B15R2.283 CC1COC(C=Cc2ccccc2)O1 Amb24066146 [0,0,0,1,0,0|0,0,2]=3 343 B15R2.283 CC1NC(\C=C\c2ccccc2)=NO1 Amb24393031 [0,0,0,1,0,0|3,0,0]=4 344 B15R2.283 C[C@@H]1CC[C@H](\C=C\c2ccccc2)N1 Amb24651061 [0,0,0,1,0,0|2,0,1]=4 345 B15R2.283 Cc1cc(\C=C\c2ccccc2)o[n]1 Amb24554513 [0,0,0,1,0,0|2,0,1]=4 346 B15R2.352 BrCCOc1cc2c[n]ccc2cc1 Amb24410986 [0,0,0,1,0,0|3,0,0]=4 347 B15R2.352 BrCCOc1cc2ccccc2[n]c1 Amb24590767 [0,0,0,1,0,0|3,0,0]=4 348 B15R2.352 BrCCOc1ccc2c(c1)cccn2 Amb17262598 [0,0,0,1,0,0|3,0,0]=4 349 B15R2.352 C=CCOc1ccc2ccccc2[n]1 Amb25178874 [0,0,0,1,0,0|1,0,2]=4 350 B15R2.352 CCCCc1c[n]c2ccccc2[n]1 Amb25328395 [0,0,0,1,0,0|3,0,0]=4 351 B15R2.352 CCCCc1cc2c[n]ccc2cc1 Amb18349240 [0,0,0,1,0,0|3,0,0]=4 352 B15R2.352 CCCCc1cc2ccc[n]c2cc1 Amb19108427 [0,0,0,1,0,0|3,0,0]=4 353 B15R2.352 CCCNc1[n]c2ccccc2c[n]1 Amb25779187 [0,0,0,1,0,0|3,0,0]=4 354 B15R2.352 CCCNc1c[n]c2ccccc2[n]1 Amb18296663 [0,0,0,1,0,0|3,0,0]=4 355 B15R2.352 CCCNc1cc2ccc[n]c2cc1 Amb18994054 [0,0,0,1,0,0|3,0,0]=4 356 B15R2.352 CCCOc1cc2[n]cccc2cc1 Amb25249574 [0,0,0,1,0,0|2,0,0]=3 357 B15R2.352 CCCOc1cc2ccc[n]c2cc1 Amb24582114 [0,0,0,1,0,0|2,0,0]=3 358 B15R2.352 CCCOc1cc2ccccc2[n]c1 Amb25089042 [0,0,0,1,0,0|2,0,0]=3 359 B15R2.352 CCCOc1ccc2ccccc2[n]1 Amb20171237 [0,0,0,1,0,0|1,0,0]=2 360 B15R2.352 CCCSc1cc2ccccc2[n]c1 Amb25297424 [0,0,0,1,0,0|2,1,0]=4 361 B15R2.352 CCNCc1ccc2ccccc2[n]1 Amb19373560 [0,0,0,1,0,0|3,0,0]=4 362 B15R2.352 CNCCc1ccc2ccccc2[n]1 Amb18299521 [0,0,0,1,0,0|3,0,0]=4 363 B15R2.352 COCOc1ccc2[n]cccc2c1 Amb25205119 [0,0,0,1,0,0|3,0,0]=4 364 B15R2.352 CSCCc1ccc2ccccc2[n]1 Amb24459371 [0,0,0,1,0,0|3,0,0]=4 365 B15R2.352 ClCCNc1ccc2ccccc2[n]1 Amb24089607 [0,0,0,1,0,0|3,0,0]=4 366 B15R2.352 ClCCOc1c[n]c2ccccc2[n]1 Amb24679383 [0,0,0,1,0,0|3,0,0]=4 367 B15R2.352 ClCCOc1ccc2c(c1)cccn2 Amb17239671 [0,0,0,1,0,0|3,0,0]=4 368 B15R2.352 FCCOc1cc2ccccc2cc1 Amb24562684 [0,0,0,1,0,0|2,0,0]=3 369 B15R2.352 N#CCOc1ccc2c(c1)cccc2 Amb1395353 [0,0,0,1,0,0|2,0,1]=4 370 B15R2.352 NCCCc1cc2ccccc2cc1 Amb18981387 [0,0,0,1,0,0|3,0,0]=4 371 B15R2.352 NCCCc1ccc2c(n1)cccc2 Amb17578461 [0,0,0,1,0,0|3,0,0]=4 372 B15R2.352 NCCNc1cc2ccccc2cc1 Amb18992219 [0,0,0,1,0,0|3,0,0]=4 373 B15R2.352 NCCNc1ccc2c(n1)cccc2 Amb10609947 [0,0,0,1,0,0|3,0,0]=4 374 B15R2.352 NCCNc1ccc2c(n1)cccc2 Amb1108505 [0,0,0,1,0,0|3,0,0]=4 375 B15R2.352 NCCOc1c[n]c2ccccc2[n]1 Amb18297203 [0,0,0,1,0,0|3,0,0]=4 376 B15R2.352 NCCOc1cc2[n]cccc2cc1 Amb19107899 [0,0,0,1,0,0|3,0,0]=4 377 B15R2.352 NCCOc1cc2c[n]ccc2cc1 Amb18355016 [0,0,0,1,0,0|3,0,0]=4 378 B15R2.352 NCCOc1cc2cc[n]cc2cc1 Amb18353762 [0,0,0,1,0,0|3,0,0]=4 379 B15R2.352 NCCOc1cc2ccc[n]c2cc1 Amb19107900 [0,0,0,1,0,0|3,0,0]=4 380 B15R2.352 NCCOc1cc2ccccc2[n]c1 Amb25701399 [0,0,0,1,0,0|3,0,0]=4 381 B15R2.352 NCCOc1ccc2c(c1)cccc2 Amb1069042 [0,0,0,1,0,0|2,0,0]=3 382 B15R2.352 NCCOc1ccc2ccccc2[n]1 Amb18296487 [0,0,0,1,0,0|2,0,0]=3 383 B15R2.352 NCCSc1ccc2ccccc2[n]1 Amb18253453 [0,0,0,1,0,0|2,1,0]=4 384 B15R2.352 OCCCc1cc2ccccc2cc1 Amb24401038 [0,0,0,1,0,0|3,0,0]=4 385 B15R2.352 OCCCc1ccc2ccccc2[n]1 Amb20669490 [0,0,0,1,0,0|3,0,0]=4 386 B15R2.352 OCCOc1cc2[n]cccc2cc1 Amb25740630 [0,0,0,1,0,0|3,0,0]=4 387 B15R2.352 OCCOc1cc2ccccc2[n]c1 Amb24387352 [0,0,0,1,0,0|3,0,0]=4 388 B15R2.352 OCCOc1ccc2c(c1)cccn2 Amb17105029 [0,0,0,1,0,0|3,0,0]=4 389 B15R2.352 OCCOc1cnc2c(n1)cccc2 Amb2445501 [0,0,0,1,0,0|3,0,0]=4 390 B15R2.352 SCCNc1cc2ccccc2cc1 Amb25311323 [0,0,0,1,0,0|3,0,0]=4 391 B15R2.352 SCCOc1ccc2c(c1)cccc2 Amb17238164 [0,0,0,1,0,0|2,0,0]=3 392 B15R2.352 SCCOc1ccc2c(c1)cccn2 Amb17238467 [0,0,0,1,0,0|3,0,0]=4 393 B15R2.352 SCCSc1cc2ccccc2cc1 Amb24352821 [0,0,0,1,0,0|2,1,0]=4 394 B15R2.355 CC1CCC(=O)N1Cc2ccccc2 Amb20667833 [0,0,0,1,0,0|2,0,1]=4 395 B15R2.355 C[C@@H]1COS(=O)C1Nc2ccccc2 Amb25349054 [0,0,0,1,0,0|2,0,1]=4 396 B15R2.355 O=C/1OCC(=O)\C1=C/c2ccccc2 Amb24347145 [0,0,0,1,0,0|1,0,1]=3 397 B15R2.355 O=C/1ON=C(\C1=C\c2ccccc2)C Amb2228119 [0,0,0,1,0,0|1,0,1]=3 398 B15R2.355 OC1C=CC(=O)C1=Cc2ccccc2 Amb25192992 [0,0,0,1,0,0|2,0,1]=4 399 B15R2.355 OC1COC(=O)C1Oc2ccccc2 Amb24431850 [0,0,0,1,0,0|2,0,1]=4 400 B15R2.355 O[C@H]1COC(=O)[C@H]1Cc2ccccc2 Amb25222249 [0,0,0,1,0,0|1,0,2]=4 401 B15R2.505 CC1CC1C(=O)C#Cc2ccccc2 Amb25109435 [0,0,0,1,0,0|1,0,2]=4 402 B15R2.505 C[C@@H]1CN1C(=O)OCc2ccccc2 Amb23401484 [0,0,0,1,0,0|2,0,1]=4 403 B15R2.505 O=C(C=Cc1ccccc1)C2CC2Br Amb24059904 [0,0,0,1,0,0|2,0,0]=3 404 B15R2.543 CC1=CC(=NCCN1)c2ccccc2 Amb25268187 [0,0,0,1,0,0|3,0,0]=4 405 B15R2.543 CC=1C=C(NCCN1)c2ccccc2 Amb25312125 [0,0,0,1,0,0|3,0,0]=4 406 B15R2.543 ClC=1C=C(NCCN1)c2ccccc2 Amb24356016 [0,0,0,1,0,0|3,0,0]=4 407 B15R2.543 NC1CCCCC(=C1)c2ccccc2 Amb25305038 [0,0,0,1,0,0|2,0,1]=4 408 B15R2.543 O=C1C=C(SCCN1)c2ccccc2 Amb24598262 [0,0,0,1,0,0|2,0,0]=3 409 B15R2.543 O=C1CC(=NCCN1)c2ccccc2 Amb25165904 [0,0,0,1,0,0|2,0,1]=4 410 B15R2.543 O=C1CC(CCCC1)c2ccccc2 Amb22059558 [0,0,0,1,0,0|1,0,2]=4 411 B15R2.543 O=C1CC(CCCN1)c2ccccc2 Amb24716771 [0,0,0,1,0,0|1,0,2]=4 412 B15R2.543 O=C1CCCCC(=C1)c2c[n]cc[n]2 Amb24463521 [0,0,0,1,0,0|3,0,0]=4 413 B15R2.543 O=C1CCCCC(=C1)c2c[n]ccc2 Amb25801579 [0,0,0,1,0,0|2,0,0]=3 414 B15R2.543 O=C1CCCCC(N1)c2ccccc2 Amb25050480 [0,0,0,1,0,0|2,0,1]=4 415 B15R2.543 O=C1CN(CCCN1)c2ccccc2 Amb25289905 [0,0,0,1,0,0|2,0,1]=4 416 B15R2.543 OC1CCCCC(=C1)c2ccccc2 Amb25071998 [0,0,0,1,0,0|1,0,2]=4 417 B15R2.546 O=C1CCCCc2ccccc2CN1 Amb24594306 [0,0,0,1,0,0|2,0,1]=4 418 B15R2.2195 C(NC1=NCCCO1)c2ccccc2 Amb25186064 [0,0,0,1,0,0|2,0,1]=4 419 B15R2.2195 C1C=C(CCN1)C=Cc2ccccc2 Amb24589721 [0,0,0,1,0,0|3,0,0]=4 420 B15R2.2195 C1CCCC(C=Cc2ccccc2)N1 Amb23536595 [0,0,0,1,0,0|2,0,1]=4 421 B15R2.2195 C1CCCC(\C=C\c2ccccc2)N1 Amb24437276 [0,0,0,1,0,0|2,0,1]=4 422 B15R2.2195 C1CCSC(C=Cc2ccc[n]c2)=N1 Amb25855053 [0,0,0,1,0,0|2,1,0]=4 423 B15R2.2195 C1CCSC(\C=C\c2cc[n]cc2)=N1 Amb22455414 [0,0,0,1,0,0|2,1,0]=4 424 B15R2.2195 C1CCSC(\C=C\c2ccc[n]c2)=N1 Amb22442709 [0,0,0,1,0,0|2,1,0]=4 425 B15R2.2195 C1CCSC(\C=C\c2ccccc2)=N1 Amb22442718 [0,0,0,1,0,0|1,1,0]=3 426 B15R2.2195 C1NCCOC1\C=C\c2ccccc2 Amb24376807 [0,0,0,1,0,0|2,0,1]=4 427 B15R2.2195 C1NCCO[C@@H]1\C=C\c2ccccc2 Amb25193523 [0,0,0,1,0,0|2,0,1]=4 428 B15R2.9941 C#CCN1C(=O)C=Cc2ccccc12 Amb25814498 [0,0,0,1,0,0|1,0,2]=4 429 B15R2.9941 CCCN1C(=O)COc2c1cccc2 Amb2429762 [0,0,0,1,0,0|2,0,1]=4 430 B15R2.9941 CCCN1c2ccccc2C=CC1=O Amb24069972 [0,0,0,1,0,0|1,0,0]=2 431 B15R2.9941 CCCc1c2cc[n]cc2ccc1N Amb24071650 [0,0,0,1,0,0|3,0,0]=4 432 B15R2.9941 CCNc1c(O)ccc2ccccc21 Amb18054370 [0,0,0,1,0,0|2,0,1]=4 433 B15R2.9941 CNCc1c(O)ccc2c1cccc2 Amb1134110 [0,0,0,1,0,0|2,0,1]=4 434 B15R2.9941 CN\C=C\1/C(=O)C=Cc2ccccc21 Amb25270108 [0,0,0,1,0,0|2,0,1]=4 435 B15R2.9941 COCc1c(O)ccc2ccccc21 Amb25271002 [0,0,0,1,0,0|2,0,1]=4 436 B15R2.9941 CO\N=C\1/C(=O)C=Cc2c1cccc2 Amb10571900 [0,0,0,1,0,0|3,0,0]=4 437 B15R2.9941 CSCc1c(N)ccc2ccccc21 Amb18654381 [0,0,0,1,0,0|3,0,0]=4 438 B15R2.9941 CSCc1c(O)ccc2ccccc21 Amb18654771 [0,0,0,1,0,0|2,0,1]=4 439 B15R2.9941 Cc1ccc2ccccc2c1CCO Amb25709028 [0,0,0,1,0,0|3,0,0]=4 440 B15R2.9941 Cc1ccc2ccccc2c1CNC Amb18129559 [0,0,0,1,0,0|3,0,0]=4 441 B15R2.9941 Cc1ccc2ccccc2c1CSC Amb24500187 [0,0,0,1,0,0|3,0,0]=4 442 B15R2.9941 Cc1ccc2ccccc2c1NCC Amb18553378 [0,0,0,1,0,0|3,0,0]=4 443 B15R2.9941 NCCN1c2ccccc2C=CC1=O Amb18563358 [0,0,0,1,0,0|2,0,0]=3 444 B15R2.9941 NCCN1c2ccccc2N=CC1=O Amb18949321 [0,0,0,1,0,0|3,0,0]=4 445 B15R2.9941 NCCc1c(C)ccc2c1cccc2 Amb17202000 [0,0,0,1,0,0|3,0,0]=4 446 B15R2.9941 NCCc1c2ccccc2ccc1F Amb24054595 [0,0,0,1,0,0|3,0,0]=4 447 B15R2.9941 O=C1C=Cc2ccccc2N1CC=O Amb24628423 [0,0,0,1,0,0|2,0,1]=4 448 B15R2.9941 OCCN1c2ccccc2C=CC1=O Amb25814497 [0,0,0,1,0,0|2,0,0]=3 449 B15R2.9941 OCCN1c2ccccc2N=CC1=O Amb19040835 [0,0,0,1,0,0|3,0,0]=4 450 B15R2.24490 O=C(C#Cc1ccccc1)C2CCC2 Amb24661265 [0,0,0,1,0,0|1,0,2]=4 451 B15R2.24490 OC(\C=C\c1ccccc1)C2CCC2 Amb25099378 [0,0,0,1,0,0|1,0,2]=4 452 B15R2.24494 O=C(CC1CC1)C#Cc2ccccc2 Amb25044871 [0,0,0,1,0,0|1,0,2]=4 453 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 Amb25715762 [0,0,0,1,0,0|2,0,1]=4 454 B15R2.24494 O=C(NC1CC1)CSc2ccccc2 Amb1203586 [0,0,0,1,0,0|2,0,1]=4 455 B15R2.24494 O=C(NC1CC1)OCc2ccccc2 Amb25103364 [0,0,0,1,0,0|2,0,1]=4 456 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 Amb24630360 [0,0,0,1,0,0|2,0,1]=4 457 B13R1.44 C#CCOC(=O)Nc1ccccc1 Amb2505044 [0,0,0,0,1,0|1,0,2]=4 458 B13R1.44 C=CCOC(=O)Cc1ccccc1 Amb22230218 [0,0,0,0,1,0|0,0,3]=4 459 B13R1.44 C=CCOC(=O)Nc1ccccc1 Amb24365247 [0,0,0,0,1,0|1,0,2]=4 460 B13R1.44 C=CCOC(=O)Oc1ccccc1 Amb22360640 [0,0,0,0,1,0|1,0,2]=4 461 B13R1.44 CCC#CC(=O)Cc1ccccc1 Amb25834345 [0,0,0,0,1,0|1,0,2]=4 462 B13R1.44 CCCCC(=N)Nc1ccccc1 Amb25192472 [0,0,0,0,1,0|3,0,0]=4 463 B13R1.44 CCCCC(=S)Nc1ccccc1 Amb25785161 [0,0,0,0,1,0|2,1,0]=4 464 B13R1.44 CCCNC(=N)Nc1ccccc1 Amb18184209 [0,0,0,0,1,0|3,0,0]=4 465 B13R1.44 CCCNC(=O)Nc1c[n]ccc1 Amb23263124 [0,0,0,0,1,0|3,0,0]=4 466 B13R1.44 CCCNC(=O)Nc1ccccc1 Amb1233730 [0,0,0,0,1,0|2,0,0]=3 467 B13R1.44 CCCNC(=S)Nc1ccccc1 Amb2458951 [0,0,0,0,1,0|2,1,0]=4 468 B13R1.44 CCCOC(=O)Nc1c[n]c[n]c1 Amb25246032 [0,0,0,0,1,0|3,0,0]=4 469 B13R1.44 CCCOC(=O)Nc1c[n]ccc1 Amb25237614 [0,0,0,0,1,0|2,0,0]=3 470 B13R1.44 CCCOC(=O)Nc1cc[n]cc1 Amb25334198 [0,0,0,0,1,0|2,0,0]=3 471 B13R1.44 CCCOC(=S)Nc1cccc[n]1 Amb24096831 [0,0,0,0,1,0|2,1,0]=4 472 B13R1.44 CCC\N=C(\N)/Cc1ccccc1 Amb23569054 [0,0,0,0,1,0|2,0,1]=4 473 B13R1.44 CCSSC(=O)Nc1ccccc1 Amb25289236 [0,0,0,0,1,0|2,1,0]=4 474 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb15740952 [0,0,0,0,1,0|3,0,0]=4 475 B13R1.44 COCCC(=O)Nc1ccccc1 Amb24493758 [0,0,0,0,1,0|3,0,0]=4 476 B13R1.44 CSCNC(=O)Nc1ccccc1 Amb24741724 [0,0,0,0,1,0|3,0,0]=4 477 B13R1.44 C\C=N\OC(=O)Nc1ccccc1 Amb24505322 [0,0,0,0,1,0|2,0,1]=4 478 B13R1.44 ClCCCC(=O)Nc1ccccc1 Amb1125144 [0,0,0,0,1,0|3,0,0]=4 479 B13R1.44 ClCCNC(=O)Cc1ccccc1 Amb2429404 [0,0,0,0,1,0|2,0,1]=4 480 B13R1.44 ClCCOC(=O)Nc1cccnc1 Amb13952803 [0,0,0,0,1,0|3,0,0]=4 481 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb13952779 [0,0,0,0,1,0|3,0,0]=4 482 B13R1.44 NCCNC(=O)Nc1ccccc1 Amb10808639 [0,0,0,0,1,0|3,0,0]=4 483 B13R1.44 NCCNC(=O)Nc1ccccc1 Amb15741119 [0,0,0,0,1,0|3,0,0]=4 484 B13R1.44 NCCOC(=O)Nc1ccccc1 Amb25856964 [0,0,0,0,1,0|2,0,0]=3 485 B13R1.44 O=C(CCCS)Nc1ccccc1 Amb25234554 [0,0,0,0,1,0|3,0,0]=4 486 B13R1.44 O=C(Cc1ccccc1)OCCBr Amb24065428 [0,0,0,0,1,0|1,0,1]=3 487 B13R1.44 O=C(Cc1ccccc1)OCCCl Amb24065572 [0,0,0,0,1,0|1,0,1]=3 488 B13R1.44 O=C(NCCF)Oc1ccccc1 Amb24096857 [0,0,0,0,1,0|3,0,0]=4 489 B13R1.44 O=C(Nc1cc[n]cc1)OCCF Amb25685862 [0,0,0,0,1,0|3,0,0]=4 490 B13R1.44 O=C(Nc1ccc[n]c1)OCCF Amb25694770 [0,0,0,0,1,0|3,0,0]=4 491 B13R1.44 O=C(Nc1ccccc1)NCCF Amb25289085 [0,0,0,0,1,0|3,0,0]=4 492 B13R1.44 O=C(Nc1ccccc1)OCCBr Amb22346582 [0,0,0,0,1,0|2,0,0]=3 493 B13R1.44 O=C(Nc1ccccc1)OCCCl Amb22369350 [0,0,0,0,1,0|2,0,0]=3 494 B13R1.44 OCCCC(=O)Nc1ccccc1 Amb17233533 [0,0,0,0,1,0|3,0,0]=4 495 B13R1.44 OCCNC(=O)Cc1ccccc1 Amb2437031 [0,0,0,0,1,0|2,0,1]=4 496 B13R1.44 OCCOC(=O)Nc1c[n]ccc1 Amb24489996 [0,0,0,0,1,0|3,0,0]=4 497 B13R1.44 OCCOC(=O)Nc1cc[n]cc1 Amb25100115 [0,0,0,0,1,0|3,0,0]=4 498 B13R1.44 OCCSC(=O)Nc1ccccc1 Amb22466796 [0,0,0,0,1,0|2,1,0]=4 499 B15R1.157 CCCCC(=O)NOCc1ccccc1 Amb10572671 [0,0,0,0,0,1|2,0,1]=4 500 B15R1.157 CCCNC(=O)CCNc1ccccc1 Amb19342673 [0,0,0,0,0,1|1,0,2]=4 501 B15R1.157 CCCNC(=O)CCOc1ccccc1 Amb20694760 [0,0,0,0,0,1|1,0,2]=4 502 B15R1.157 CCCNC(=O)CCSc1ccccc1 Amb1800595 [0,0,0,0,0,1|1,0,2]=4 503 B15R1.157 CCCNC(=O)NOCc1ccccc1 Amb22462392 [0,0,0,0,0,1|2,0,1]=4 504 B15R1.157 OCCCC(=O)N\N=C\c1ccccc1 Amb2445523 [0,0,0,0,0,1|3,0,0]=4 505 B15R1.157 OCCOC(=O)NOCc1ccccc1 Amb25351315 [0,0,0,0,0,1|2,0,1]=4 506 B12R1.8 BrC\C=C\C=Cc1ccccc1 Amb25731131 [2,0,0,0,0,0|1,0,1]=4 507 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [2,0,0,0,0,0|0,0,1]=3 508 B12R1.8 CCCC\C=C\c1cccc[n]1 Amb19148732 [2,0,0,0,0,0|1,0,1]=4 509 B12R1.8 CCCC\N=C\c1ccccc1 Amb20248424 [2,0,0,0,0,0|1,0,1]=4 510 B12R1.8 CCCN\C=C\c1ccccc1 Amb24565827 [2,0,0,0,0,0|1,0,0]=3 511 B12R1.8 CCCONCc1ccccc1 Amb25031180 [2,0,0,0,0,0|1,0,1]=4 512 B12R1.8 CCCO\N=C\c1c[n]ccc1 Amb24068837 [2,0,0,0,0,0|2,0,0]=4 513 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [2,0,0,0,0,0|0,0,1]=3 514 B12R1.8 CCC\C=N\Cc1ccccc1 Amb10562392 [2,0,0,0,0,0|1,0,1]=4 515 B12R1.8 CCO\N=C\Nc1ccccc1 Amb25696637 [2,0,0,0,0,0|2,0,0]=4 516 B12R1.8 CN\N=C\C=Cc1ccccc1 Amb25807249 [2,0,0,0,0,0|2,0,0]=4 517 B12R1.8 ClC\C=C\C=C\c1ccccc1 Amb25723712 [2,0,0,0,0,0|1,0,1]=4 518 B12R1.8 ClC\C=C\C=Cc1ccccc1 Amb25677867 [2,0,0,0,0,0|1,0,1]=4 519 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [2,0,0,0,0,0|1,0,1]=4 520 B12R1.8 NC\C=C/C=C/c1ccccc1 Amb25199167 [2,0,0,0,0,0|1,0,1]=4 521 B12R1.8 NC\C=C\C=C\c1ccccc1 Amb10567259 [2,0,0,0,0,0|1,0,1]=4 522 B12R1.8 OCCN\C=C\c1ccccc1 Amb25087866 [2,0,0,0,0,0|2,0,0]=4 523 B12R1.8 OC\C=C\C=Cc1ccccc1 Amb24700798 [2,0,0,0,0,0|1,0,1]=4 524 B12R1.27 BrCC(=O)\C=C\c1ccccc1 Amb17596167 [2,0,0,0,0,0|1,0,0]=3 525 B12R1.27 C#CC(=O)\C=C\c1ccccc1 Amb25706970 [2,0,0,0,0,0|0,0,2]=4 526 B12R1.27 CCC(=O)C#Cc1ccccc1 Amb10562235 [2,0,0,0,0,0|0,0,2]=4 527 B12R1.27 CCC(=O)O[Hg]c1ccccc1 Amb22359615 [2,0,0,0,0,0|2,0,0]=4 528 B12R1.27 CCC(=O)\C=C/c1ccccc1 Amb25271028 [2,0,0,0,0,0|0,0,0]=2 529 B12R1.27 CCC(=O)\C=C\c1ccc[n]c1 Amb25358914 [2,0,0,0,0,0|1,0,0]=3 530 B12R1.27 CCC(=O)\C=C\c1cccc[n]1 Amb24487185 [2,0,0,0,0,0|1,0,0]=3 531 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [2,0,0,0,0,0|0,0,0]=2 532 B12R1.27 CCC(=O)\N=N\c1ccccc1 Amb24644165 [2,0,0,0,0,0|2,0,0]=4 533 B12R1.27 CCC(Cl)\C=C\c1ccccc1 Amb25210818 [2,0,0,0,0,0|1,0,1]=4 534 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [2,0,0,0,0,0|0,0,2]=4 535 B12R1.27 CC[C@@H](O)\C=C\c1ccccc1 Amb25320497 [2,0,0,0,0,0|0,0,2]=4 536 B12R1.27 CNC(=O)\C=C\c1cccc[n]1 Amb24056147 [2,0,0,0,0,0|2,0,0]=4 537 B12R1.27 CNC(=O)\N=C\c1ccccc1 Amb24497304 [2,0,0,0,0,0|2,0,0]=4 538 B12R1.27 COC(=O)/C=C/c1cccnc1 Amb17844385 [2,0,0,0,0,0|1,0,0]=3 539 B12R1.27 COC(=O)C=Cc1c[n]c[n]c1 Amb24093840 [2,0,0,0,0,0|2,0,0]=4 540 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb20668041 [2,0,0,0,0,0|1,0,0]=3 541 B12R1.27 COC(=O)C=Cc1cc[n]cc1 Amb24074160 [2,0,0,0,0,0|1,0,0]=3 542 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [2,0,0,0,0,0|1,0,1]=4 543 B12R1.27 COC(=O)\C=C\c1[n]ccc[n]1 Amb25337205 [2,0,0,0,0,0|2,0,0]=4 544 B12R1.27 COC(=O)\C=C\c1c[n]cc[n]1 Amb22524637 [2,0,0,0,0,0|2,0,0]=4 545 B12R1.27 COC(=O)\C=C\c1cccc[n]1 Amb25036096 [2,0,0,0,0,0|1,0,0]=3 546 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb10604946 [2,0,0,0,0,0|1,0,0]=3 547 B12R1.27 COC(=O)\N=N\c1ccccc1 Amb25836861 [2,0,0,0,0,0|2,0,0]=4 548 B12R1.27 ClCC(=O)\C=C\c1ccccc1 Amb17594640 [2,0,0,0,0,0|1,0,0]=3 549 B12R1.27 N#CC(=O)\C=C\c1ccccc1 Amb10069227 [2,0,0,0,0,0|1,0,1]=4 550 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb18908593 [2,0,0,0,0,0|1,0,0]=3 551 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb25838381 [2,0,0,0,0,0|2,0,0]=4 552 B12R1.27 O=C(CCl)\C=C\c1cccc[n]1 Amb24692734 [2,0,0,0,0,0|2,0,0]=4 553 B12R1.27 O=C(CF)\C=C\c1ccccc1 Amb24572849 [2,0,0,0,0,0|1,0,0]=3 554 B12R1.27 O=C(\C=C\c1ccccc1)C=O Amb18126247 [2,0,0,0,0,0|1,0,1]=4 555 B12R1.27 OCC(=O)\C=C\c1ccccc1 Amb25142729 [2,0,0,0,0,0|1,0,0]=3 556 B14R1.123 COCCNC\C=C\c1ccccc1 Amb1925718 [1,1,0,0,0,0|1,0,1]=4 557 B14R1.123 ClCCCC#C\C=C\c1ccccc1 Amb24563946 [1,1,0,0,0,0|1,0,1]=4 558 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [1,1,0,0,0,0|0,0,1]=3 559 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,1,0,0,0,0|0,0,2]=4 560 B14R1.123 NCCCNC\C=C\c1ccccc1 Amb23595752 [1,1,0,0,0,0|1,0,1]=4 561 B14R1.123 OCCCC#C\C=C\c1ccccc1 Amb25285630 [1,1,0,0,0,0|1,0,1]=4 562 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb1926882 [1,1,0,0,0,0|1,0,1]=4 563 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb2114455 [1,1,0,0,0,0|1,0,1]=4 564 B14R1.158 CCCONC(=N)Nc1ccccc1 Amb25031235 [1,1,0,0,0,0|2,0,0]=4 565 B14R1.158 C\C(\CNCCC)=C/c1ccccc1 Amb19890261 [1,1,0,0,0,0|1,0,1]=4 566 B14R1.158 C\C(\CNCCC)=C/c1ccccc1 Amb20673527 [1,1,0,0,0,0|1,0,1]=4 567 B14R1.422 CC(CNC\C=C\c1ccccc1)C Amb1922701 [1,1,0,0,0,0|1,0,1]=4 568 B14R1.422 CC(C\N=C\C=C\c1ccccc1)C Amb10570115 [1,1,0,0,0,0|1,0,0]=3 569 B14R1.716 CCC(NC\C=C\c1ccccc1)C Amb1922704 [1,1,0,0,0,0|1,0,1]=4 570 B14R1.716 CCC(O)C#C\C=C\c1ccccc1 Amb25271922 [1,1,0,0,0,0|1,0,1]=4 571 B14R1.29 CCCC(=O)NC(=O)c1ccccc1 Amb25131173 [1,1,0,0,0,0|1,0,0]=3 572 B14R1.29 CCCC(=O)OC(C)c1ccccc1 Amb22363249 [1,1,0,0,0,0|1,0,1]=4 573 B14R1.29 CCNC(=O)NC(=N)c1ccccc1 Amb25081406 [1,1,0,0,0,0|2,0,0]=4 574 B14R1.29 CCOC(=N)NC(=O)c1ccccc1 Amb25790534 [1,1,0,0,0,0|2,0,0]=4 575 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 Amb1212681 [1,1,0,0,0,0|0,0,1]=3 576 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 Amb13951245 [1,1,0,0,0,0|1,0,1]=4 577 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 Amb1647670 [1,1,0,0,0,0|1,0,1]=4 578 B14R1.29 CCOC(=O)CS(=O)c1ccccc1 Amb22732228 [1,1,0,0,0,0|1,0,1]=4 579 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 Amb19051013 [1,1,0,0,0,0|0,0,2]=4 580 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O Amb10070415 [1,1,0,0,0,0|0,0,2]=4 581 B14R1.29 CCOC(=O)NC(=O)c1c[n]ccc1 Amb24356576 [1,1,0,0,0,0|2,0,0]=4 582 B14R1.29 CCOC(=O)NC(=O)c1cc[n]cc1 Amb25054599 [1,1,0,0,0,0|2,0,0]=4 583 B14R1.29 CCOC(=O)NC(=S)c1ccccc1 Amb25290179 [1,1,0,0,0,0|1,0,0]=3 584 B14R1.29 CCOC(=O)NC(=S)c1cccnc1 Amb10559604 [1,1,0,0,0,0|2,0,0]=4 585 B14R1.29 CCOC(=O)NC(c1ccccc1)C Amb2558890 [1,1,0,0,0,0|1,0,1]=4 586 B14R1.29 CCOC(=O)[CH-]C(=O)c1ccccc1 Amb22456153 [1,1,0,0,0,0|0,0,1]=3 587 B14R1.29 CCOC(=O)\C=C(/N)\c1ccccc1 Amb22285050 [1,1,0,0,0,0|0,0,0]=2 588 B14R1.29 CCOC(=O)\C=C(/c1ccccc1)\C Amb10566527 [1,1,0,0,0,0|0,0,0]=2 589 B14R1.29 CCOC(=S)NC(=O)c1ccccc1 Amb1641309 [1,1,0,0,0,0|1,1,0]=4 590 B14R1.29 NCCC(=O)NC(=O)c1ccccc1 Amb25361031 [1,1,0,0,0,0|2,0,0]=4 591 B14R1.29 N\C(=C\C(=O)CC#N)\c1ccccc1 Amb24601803 [1,1,0,0,0,0|1,0,1]=4 592 B14R1.32 CCCC(=O)NCc1cccc(Br)c1 Amb21263667 [1,1,0,0,0,0|1,0,1]=4 593 B14R1.32 CCCC(=O)NCc1cccc(c1)Cl Amb2023616 [1,1,0,0,0,0|1,0,1]=4 594 B14R1.32 CCCC(=O)NNc1cccc(c1)C Amb1793394 [1,1,0,0,0,0|2,0,0]=4 595 B14R1.32 CCNC(=O)/C=C/c1cccc(Cl)c1 Amb17861655 [1,1,0,0,0,0|1,0,0]=3 596 B14R1.32 CCNC(=O)\C=C\c1cccc(F)c1 Amb24411842 [1,1,0,0,0,0|1,0,0]=3 597 B14R1.32 CCNC(=O)\C=C\c1cccc(c1)N Amb17139254 [1,1,0,0,0,0|1,0,0]=3 598 B14R1.32 CCOC(=O)C#Cc1cc(Cl)ccc1 Amb24093911 [1,1,0,0,0,0|0,0,2]=4 599 B14R1.32 CCOC(=O)C#Cc1cc(F)ccc1 Amb24063534 [1,1,0,0,0,0|0,0,2]=4 600 B14R1.32 CCOC(=O)C#Cc1cc(N)ccc1 Amb25088348 [1,1,0,0,0,0|0,0,2]=4 601 B14R1.32 CCOC(=O)C#Cc1cc(O)ccc1 Amb25814600 [1,1,0,0,0,0|0,0,2]=4 602 B14R1.32 CCOC(=O)C=Cc1cc[n]c(Cl)c1 Amb24090593 [1,1,0,0,0,0|1,0,0]=3 603 B14R1.32 CCOC(=O)C=Cc1cccc(N)c1 Amb24061861 [1,1,0,0,0,0|0,0,0]=2 604 B14R1.32 CCOC(=O)CCc1cccc(Br)c1 Amb22232484 [1,1,0,0,0,0|0,0,2]=4 605 B14R1.32 CCOC(=O)CCc1cccc(N)c1 Amb22396481 [1,1,0,0,0,0|0,0,2]=4 606 B14R1.32 CCOC(=O)CCc1cccc(O)c1 Amb19515925 [1,1,0,0,0,0|0,0,2]=4 607 B14R1.32 CCOC(=O)COc1cccc(c1)Cl Amb2574396 [1,1,0,0,0,0|1,0,1]=4 608 B14R1.32 CCOC(=O)COc1cccc(c1)N Amb1119292 [1,1,0,0,0,0|1,0,1]=4 609 B14R1.32 CCOC(=O)NNc1cc(N)ccc1 Amb25797768 [1,1,0,0,0,0|2,0,0]=4 610 B14R1.32 CCOC(=O)\C=C\c1cc(F)cc[n]1 Amb22898931 [1,1,0,0,0,0|1,0,0]=3 611 B14R1.32 CCOC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10553943 [1,1,0,0,0,0|1,0,0]=3 612 B14R1.32 CCOC(=O)\C=C\c1cccc(Br)c1 Amb23504994 [1,1,0,0,0,0|0,0,0]=2 613 B14R1.32 CCOC(=O)\C=C\c1cccc(Cl)c1 Amb23504715 [1,1,0,0,0,0|0,0,0]=2 614 B14R1.32 CCOC(=O)\C=C\c1cccc(O)c1 Amb18651075 [1,1,0,0,0,0|0,0,0]=2 615 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)C Amb10566723 [1,1,0,0,0,0|0,0,0]=2 616 B14R1.32 CONC(=O)\C=C\c1cccc(N)c1 Amb25779106 [1,1,0,0,0,0|2,0,0]=4 617 B14R1.32 CONC(=O)\C=C\c1cccc(c1)Br Amb11260940 [1,1,0,0,0,0|2,0,0]=4 618 B14R1.32 CONC(=O)\C=C\c1cccc(c1)Cl Amb168265 [1,1,0,0,0,0|2,0,0]=4 619 B14R1.32 Cc1cc(CCC(=O)OCC)ccc1 Amb19073886 [1,1,0,0,0,0|0,0,2]=4 620 B14R1.32 Cc1cc(ccc1)C#CC(=O)OCC Amb24450274 [1,1,0,0,0,0|0,0,2]=4 621 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 Amb25706664 [1,1,0,0,0,0|1,0,0]=3 622 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 Amb17401495 [1,1,0,0,0,0|1,0,1]=4 623 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 Amb1814008 [1,1,0,0,0,0|2,0,0]=4 624 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 Amb1196006 [1,1,0,0,0,0|1,0,0]=3 625 B14R1.60 CCOC(=O)C(=O)Oc1cccc[n]1 Amb24103622 [1,1,0,0,0,0|2,0,0]=4 626 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 Amb19051002 [1,1,0,0,0,0|1,0,1]=4 627 B14R1.60 CCOC(=O)C(Cl)Cc1ccccc1 Amb24066460 [1,1,0,0,0,0|0,0,2]=4 628 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 Amb17940943 [1,1,0,0,0,0|1,0,1]=4 629 B14R1.60 CCOC(=O)C(N)Sc1ccccc1 Amb24066449 [1,1,0,0,0,0|1,0,1]=4 630 B14R1.60 CCOC(=O)C(O)Cc1ccccc1 Amb19079971 [1,1,0,0,0,0|0,0,2]=4 631 B14R1.60 CCOC(=O)C([O-])=Cc1cc[n]cc1 Amb19506687 [1,1,0,0,0,0|1,0,0]=3 632 B14R1.60 CCOC(=O)[C@H](N)Cc1ccccc1 Amb19889827 [1,1,0,0,0,0|0,0,2]=4 633 B14R1.60 CCOC(=O)\C(=C/c1ccccc1)\C Amb10976899 [1,1,0,0,0,0|0,0,0]=2 634 B14R1.60 CCOC(=O)\C(=C\c1ccccc1)\Br Amb2573602 [1,1,0,0,0,0|0,0,0]=2 635 B14R1.502 C#CCC(=O)\C=C\c1ccc(N)cc1 Amb24377384 [1,1,0,0,0,0|0,0,2]=4 636 B14R1.502 CCCC(=O)NCc1ccc(cc1)N Amb17139364 [1,1,0,0,0,0|1,0,1]=4 637 B14R1.502 CCNC(=O)/C=C/c1ccc(C)cc1 Amb17868654 [1,1,0,0,0,0|1,0,0]=3 638 B14R1.502 CCNC(=O)/C=C/c1ccc(Cl)cc1 Amb17775297 [1,1,0,0,0,0|1,0,0]=3 639 B14R1.502 CCNC(=O)/C=C/c1ccc(F)cc1 Amb17859931 [1,1,0,0,0,0|1,0,0]=3 640 B14R1.502 CCNC(=O)\C=C\c1ccc(O)cc1 Amb24336027 [1,1,0,0,0,0|1,0,0]=3 641 B14R1.502 CCOC(=O)C#Cc1ccc(Br)cc1 Amb24643932 [1,1,0,0,0,0|0,0,2]=4 642 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 Amb19515859 [1,1,0,0,0,0|0,0,2]=4 643 B14R1.502 CCOC(=O)C#Cc1ccc(F)cc1 Amb25814599 [1,1,0,0,0,0|0,0,2]=4 644 B14R1.502 CCOC(=O)C#Cc1ccc(O)cc1 Amb25042066 [1,1,0,0,0,0|0,0,2]=4 645 B14R1.502 CCOC(=O)C=Cc1ccc(Cl)[n]c1 Amb24097721 [1,1,0,0,0,0|1,0,0]=3 646 B14R1.502 CCOC(=O)C=Cc1ccc(Cl)cc1 Amb24078556 [1,1,0,0,0,0|0,0,0]=2 647 B14R1.502 CCOC(=O)C=Cc1ccc(F)cc1 Amb24089413 [1,1,0,0,0,0|0,0,0]=2 648 B14R1.502 CCOC(=O)CCc1ccc(Cl)cc1 Amb21962138 [1,1,0,0,0,0|0,0,2]=4 649 B14R1.502 CCOC(=O)CCc1ccc(F)cc1 Amb21962143 [1,1,0,0,0,0|0,0,2]=4 650 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19042046 [1,1,0,0,0,0|0,0,2]=4 651 B14R1.502 CCOC(=O)CCc1ccc(N)cc1 Amb19349650 [1,1,0,0,0,0|0,0,2]=4 652 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br Amb15692691 [1,1,0,0,0,0|0,0,2]=4 653 B14R1.502 CCOC(=O)CNc1ccc(I)cc1 Amb22282335 [1,1,0,0,0,0|1,0,1]=4 654 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br Amb1798245 [1,1,0,0,0,0|1,0,1]=4 655 B14R1.502 CCOC(=O)CNc1ccc(cc1)F Amb1649074 [1,1,0,0,0,0|1,0,1]=4 656 B14R1.502 CCOC(=O)CNc1ccc(cc1)I Amb1003062 [1,1,0,0,0,0|1,0,1]=4 657 B14R1.502 CCOC(=O)COc1ccc(O)cc1 Amb18652309 [1,1,0,0,0,0|1,0,1]=4 658 B14R1.502 CCOC(=O)COc1ccc(cc1)Br Amb1019625 [1,1,0,0,0,0|1,0,1]=4 659 B14R1.502 CCOC(=O)COc1ccc(cc1)N Amb1121477 [1,1,0,0,0,0|1,0,1]=4 660 B14R1.502 CCOC(=O)CSc1ccc(cc1)C Amb2436495 [1,1,0,0,0,0|1,0,1]=4 661 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl Amb2439238 [1,1,0,0,0,0|1,0,1]=4 662 B14R1.502 CCOC(=O)CSc1ccc(cc1)O Amb2439237 [1,1,0,0,0,0|1,0,1]=4 663 B14R1.502 CCOC(=O)NCc1ccc(Br)cc1 Amb22452221 [1,1,0,0,0,0|1,0,1]=4 664 B14R1.502 CCOC(=O)NNc1ccc(Br)cc1 Amb22485020 [1,1,0,0,0,0|2,0,0]=4 665 B14R1.502 CCOC(=O)NNc1ccc(N)cc1 Amb25109171 [1,1,0,0,0,0|2,0,0]=4 666 B14R1.502 CCOC(=O)\C=C/c1ccc(Cl)cc1 Amb23504475 [1,1,0,0,0,0|0,0,0]=2 667 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)N Amb1197562 [1,1,0,0,0,0|0,0,0]=2 668 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)O Amb2445150 [1,1,0,0,0,0|0,0,0]=2 669 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)S Amb17614100 [1,1,0,0,0,0|0,0,0]=2 670 B14R1.502 CCOC(=O)\C=N\c1ccc(Br)cc1 Amb20241622 [1,1,0,0,0,0|1,0,0]=3 671 B14R1.502 CONC(=O)C=Cc1ccc(F)cc1 Amb19241888 [1,1,0,0,0,0|2,0,0]=4 672 B14R1.502 CONC(=O)\C=C\c1ccc(O)cc1 Amb25072920 [1,1,0,0,0,0|2,0,0]=4 673 B14R1.502 Cc1ccc(CCC(=O)OCC)cc1 Amb19073887 [1,1,0,0,0,0|0,0,2]=4 674 B14R1.502 Cc1ccc(\C=C\C(=O)NOC)cc1 Amb25205472 [1,1,0,0,0,0|2,0,0]=4 675 B14R1.502 Cc1ccc(cc1)C#CC(=O)OCC Amb25205982 [1,1,0,0,0,0|0,0,2]=4 676 B14R1.598 CCCC(=O)NCc1ccccc1F Amb2020114 [1,1,0,0,0,0|1,0,1]=4 677 B14R1.598 CCCC(=O)OCc1ccccc1Cl Amb24079960 [1,1,0,0,0,0|1,0,1]=4 678 B14R1.598 CCNC(=O)\C=C\c1ccccc1Br Amb24750223 [1,1,0,0,0,0|1,0,0]=3 679 B14R1.598 CCNC(=O)\C=C\c1ccccc1F Amb25281395 [1,1,0,0,0,0|1,0,0]=3 680 B14R1.598 CCOC(=O)C#Cc1ccccc1Cl Amb24079963 [1,1,0,0,0,0|0,0,2]=4 681 B14R1.598 CCOC(=O)C#Cc1ccccc1F Amb24079971 [1,1,0,0,0,0|0,0,2]=4 682 B14R1.598 CCOC(=O)C#Cc1ccccc1O Amb24613197 [1,1,0,0,0,0|0,0,2]=4 683 B14R1.598 CCOC(=O)C=Cc1ccc[n]c1Cl Amb24090584 [1,1,0,0,0,0|1,0,0]=3 684 B14R1.598 CCOC(=O)CCc1ccccc1Br Amb15692688 [1,1,0,0,0,0|0,0,2]=4 685 B14R1.598 CCOC(=O)CCc1ccccc1Cl Amb21962867 [1,1,0,0,0,0|0,0,2]=4 686 B14R1.598 CCOC(=O)CCc1ccccc1F Amb21962868 [1,1,0,0,0,0|0,0,2]=4 687 B14R1.598 CCOC(=O)CCc1ccccc1O Amb18651832 [1,1,0,0,0,0|0,0,2]=4 688 B14R1.598 CCOC(=O)COc1ccccc1O Amb1199351 [1,1,0,0,0,0|1,0,1]=4 689 B14R1.598 CCOC(=O)NNc1ccccc1N Amb18652148 [1,1,0,0,0,0|2,0,0]=4 690 B14R1.598 CCOC(=O)\C=C/c1cnccc1N Amb10807812 [1,1,0,0,0,0|1,0,0]=3 691 B14R1.598 CCOC(=O)\C=C\c1cccc[n+]1[O-] Amb10553940 [1,1,0,0,0,0|1,0,0]=3 692 B14R1.598 CCOC(=O)\C=C\c1ccccc1Br Amb10604255 [1,1,0,0,0,0|0,0,0]=2 693 B14R1.598 CCOC(=O)\C=C\c1ccccc1N Amb18650800 [1,1,0,0,0,0|0,0,0]=2 694 B14R1.598 CCOC(=O)\C=C\c1ccccc1O Amb18651061 [1,1,0,0,0,0|0,0,0]=2 695 B14R1.598 CCOC(=O)\C=C\c1cccnc1N Amb10807777 [1,1,0,0,0,0|1,0,0]=3 696 B14R1.598 CCOC(=O)\C=C\c1cnccc1N Amb10844701 [1,1,0,0,0,0|1,0,0]=3 697 B14R1.598 CONC(=O)\C=C\c1ccccc1Cl Amb11261129 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.598 Cc1ccccc1C#CC(=O)OCC Amb24369087 [1,1,0,0,0,0|0,0,2]=4 699 B14R1.598 Cc1ccccc1CCC(=O)OCC Amb19073901 [1,1,0,0,0,0|0,0,2]=4 700 B14R1.598 Cc1ccccc1CNC(=O)CCC Amb19387685 [1,1,0,0,0,0|1,0,1]=4 701 B14R1.598 Cc1ccccc1\C=C\C(=O)NCC Amb24388813 [1,1,0,0,0,0|1,0,0]=3 702 B14R1.598 Cc1ccccc1\C=C\C(=O)NOC Amb25765386 [1,1,0,0,0,0|2,0,0]=4 703 B14R1.756 CCC(Br)C(=O)OCc1ccccc1 Amb18090812 [1,1,0,0,0,0|1,0,1]=4 704 B14R1.756 CCC(C(=O)NCc1ccccc1)Cl Amb1229165 [1,1,0,0,0,0|1,0,1]=4 705 B14R1.756 CCC(C(=O)OCc1ccccc1)C Amb15745700 [1,1,0,0,0,0|1,0,1]=4 706 B14R1.756 CCC(N)C(=O)OCc1ccccc1 Amb19042038 [1,1,0,0,0,0|1,0,1]=4 707 B14R1.756 CCC(O)C(=O)C#Cc1ccccc1 Amb25031203 [1,1,0,0,0,0|0,0,2]=4 708 B14R1.756 CC[C@@H](C)C(=O)NCc1ccccc1 Amb24452244 [1,1,0,0,0,0|1,0,1]=4 709 B14R1.756 CC[C@@H](N)C(=O)NCc1ccccc1 Amb25093922 [1,1,0,0,0,0|1,0,1]=4 710 B14R1.756 CC[C@@H](N)C(=O)NNc1ccccc1 Amb25145211 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.756 CC[C@@H](N)C(=O)OCc1ccccc1 Amb25814870 [1,1,0,0,0,0|1,0,1]=4 712 B14R1.756 CC[C@H](N)C(=O)OCc1ccccc1 Amb25106853 [1,1,0,0,0,0|1,0,1]=4 713 B14R1.756 CC[C@H](O)C(=O)OCc1ccccc1 Amb25087788 [1,1,0,0,0,0|1,0,1]=4 714 B14R1.756 CON(C(=O)\C=C\c1ccccc1)C Amb10569707 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.756 OCN(C(=O)\C=C\c1ccccc1)C Amb2444120 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [1,1,0,0,0,0|0,0,1]=3 717 B14R1.818 CC(=O)[CH-]C(=O)C=Cc1ccccc1 Amb22486320 [1,1,0,0,0,0|0,0,2]=4 718 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 Amb22346076 [1,1,0,0,0,0|0,0,0]=2 719 B14R1.818 CC(C)CC(=O)\C=C\c1ccccc1 Amb22731159 [1,1,0,0,0,0|0,0,0]=2 720 B14R1.818 CC(C)NC(=O)\C=C\c1ccc[n]c1 Amb25728495 [1,1,0,0,0,0|2,0,0]=4 721 B14R1.818 CC(C)NC(=S)\C=C\c1ccccc1 Amb25077260 [1,1,0,0,0,0|1,1,0]=4 722 B14R1.818 CC(C)OC(=O)NCc1ccccc1 Amb25798341 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.818 CC(C)OC(=O)NNc1ccccc1 Amb22446043 [1,1,0,0,0,0|2,0,0]=4 724 B14R1.818 CC(C)OC(=O)OCc1ccccc1 Amb25185793 [1,1,0,0,0,0|1,0,1]=4 725 B14R1.818 CC(Cl)OC(=O)OCc1ccccc1 Amb25202460 [1,1,0,0,0,0|1,0,1]=4 726 B14R1.818 CC(N)CC(=O)C#Cc1ccccc1 Amb25031245 [1,1,0,0,0,0|0,0,2]=4 727 B14R1.818 CC(N)CC(=O)NCc1ccccc1 Amb19004106 [1,1,0,0,0,0|1,0,1]=4 728 B14R1.818 CC(N)CC(=O)OCc1ccccc1 Amb19042037 [1,1,0,0,0,0|1,0,1]=4 729 B14R1.818 CC(O)CC(=O)NNc1ccccc1 Amb24534914 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.818 CC(O)CC(=O)OCc1ccccc1 Amb25683507 [1,1,0,0,0,0|1,0,1]=4 731 B14R1.818 CC(S)CC(=O)NCc1ccccc1 Amb24419856 [1,1,0,0,0,0|1,0,1]=4 732 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 Amb24659273 [1,1,0,0,0,0|1,0,1]=4 733 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 Amb24410941 [1,1,0,0,0,0|1,0,1]=4 734 B14R1.818 C[C@H](O)CC(=O)OCc1ccccc1 Amb24473364 [1,1,0,0,0,0|1,0,1]=4 735 B14R1.33 CCCCC(=O)Oc1ccc(cc1)Br Amb1239099 [0,1,0,0,1,0|2,0,0]=4 736 B14R1.33 CCCNC(=O)Cc1ccc(cc1)N Amb1116639 [0,1,0,0,1,0|1,0,1]=4 737 B14R1.33 CCCNC(=O)Nc1ccc(cc1)C Amb1242089 [0,1,0,0,1,0|2,0,0]=4 738 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Cl Amb2236961 [0,1,0,0,1,0|2,0,0]=4 739 B14R1.33 CCCNC(=O)Nc1ccc(cc1)F Amb2236705 [0,1,0,0,1,0|2,0,0]=4 740 B14R1.33 CCCNC(=O)Nc1ccc(cc1)I Amb2553627 [0,1,0,0,1,0|2,0,0]=4 741 B14R1.33 CCCOC(=O)NC1=CNC(=O)C=C1 Amb25057213 [0,1,0,0,1,0|2,0,0]=4 742 B14R1.33 CCCOC(=O)Nc1c[n]c(Cl)cc1 Amb24465484 [0,1,0,0,1,0|2,0,0]=4 743 B14R1.33 CCCOC(=O)Nc1c[n]c(N)cc1 Amb25110924 [0,1,0,0,1,0|2,0,0]=4 744 B14R1.33 CCCOC(=O)Nc1ccc(Br)c[n]1 Amb24370358 [0,1,0,0,1,0|2,0,0]=4 745 B14R1.33 CCCOC(=O)Nc1ccc(I)c[n]1 Amb25760517 [0,1,0,0,1,0|2,0,0]=4 746 B14R1.33 CCCOC(=O)Nc1ccc(O)cc1 Amb18652089 [0,1,0,0,1,0|1,0,0]=3 747 B14R1.33 CCCOC(=O)Nc1ccc(cc1)I Amb2550362 [0,1,0,0,1,0|1,0,0]=3 748 B14R1.33 CCCOC(=S)Nc1ccc(F)cc1 Amb25835048 [0,1,0,0,1,0|1,1,0]=4 749 B14R1.33 COCOC(=O)Nc1ccc(Cl)cc1 Amb25683451 [0,1,0,0,1,0|2,0,0]=4 750 B14R1.33 Cc1ccc(c[n]1)NC(=O)OCCC Amb24464059 [0,1,0,0,1,0|2,0,0]=4 751 B14R1.33 Cc1ccc(cc1)NC(=O)OCCBr Amb24724425 [0,1,0,0,1,0|2,0,0]=4 752 B14R1.33 Cc1ccc(cc1)NC(=O)OCCCl Amb22346324 [0,1,0,0,1,0|2,0,0]=4 753 B14R1.33 Cc1ccc(cc1)NC(=O)OCCF Amb25770528 [0,1,0,0,1,0|2,0,0]=4 754 B14R1.33 Fc1ccc(NC(=O)OCCCl)cc1 Amb17943397 [0,1,0,0,1,0|2,0,0]=4 755 B14R1.33 NCCOC(=O)Nc1ccc(Cl)cc1 Amb24693801 [0,1,0,0,1,0|2,0,0]=4 756 B14R1.33 Nc1ccc(cc1)NC(=O)OCCCl Amb25181501 [0,1,0,0,1,0|2,0,0]=4 757 B14R1.33 O=C(Nc1ccc(Br)cc1)OCCCl Amb22346393 [0,1,0,0,1,0|2,0,0]=4 758 B14R1.33 O=C(Nc1ccc(F)cc1)OCCF Amb25815556 [0,1,0,0,1,0|2,0,0]=4 759 B14R1.33 OCCOC(=O)Nc1ccc(Br)cc1 Amb24644374 [0,1,0,0,1,0|2,0,0]=4 760 B14R1.33 OCCOC(=O)Nc1ccc(Cl)cc1 Amb24450347 [0,1,0,0,1,0|2,0,0]=4 761 B14R1.34 CCCCC(=O)Nc1cccc(c1)N Amb1797215 [0,1,0,0,1,0|2,0,0]=4 762 B14R1.34 CCCNC(=O)Cc1cccc(Cl)c1 Amb23366362 [0,1,0,0,1,0|1,0,1]=4 763 B14R1.34 CCCNC(=O)Nc1cccc(c1)C Amb1233731 [0,1,0,0,1,0|2,0,0]=4 764 B14R1.34 CCCNC(=O)Nc1cccc(c1)I Amb11224397 [0,1,0,0,1,0|2,0,0]=4 765 B14R1.34 CCCOC(=O)Nc1cc(Br)c[n]c1 Amb25838116 [0,1,0,0,1,0|2,0,0]=4 766 B14R1.34 CCCOC(=O)Nc1cc(Cl)cc[n]1 Amb25353295 [0,1,0,0,1,0|2,0,0]=4 767 B14R1.34 CCCOC(=O)Nc1cc(F)c[n]c1 Amb25779781 [0,1,0,0,1,0|2,0,0]=4 768 B14R1.34 CCCOC(=O)Nc1cc(O)ccc1 Amb18652088 [0,1,0,0,1,0|1,0,0]=3 769 B14R1.34 CCCOC(=O)Nc1cccc(Br)[n]1 Amb25287848 [0,1,0,0,1,0|2,0,0]=4 770 B14R1.34 Cc1cc(ccc1)NC(=O)OCCBr Amb24653254 [0,1,0,0,1,0|2,0,0]=4 771 B14R1.34 Cc1cc(ccc1)NC(=O)OCCF Amb24506418 [0,1,0,0,1,0|2,0,0]=4 772 B14R1.34 Cc1cc(ccc1)NC(=O)SCCC Amb22346511 [0,1,0,0,1,0|1,1,0]=4 773 B14R1.34 ClCCOC(=O)Nc1cccc(Cl)c1 Amb17844348 [0,1,0,0,1,0|2,0,0]=4 774 B14R1.34 NCCOC(=O)Nc1cc(Cl)ccc1 Amb24441244 [0,1,0,0,1,0|2,0,0]=4 775 B14R1.34 NCCOC(=O)Nc1cc(F)ccc1 Amb24724267 [0,1,0,0,1,0|2,0,0]=4 776 B14R1.34 O=C(Nc1cc(Br)ccc1)OCCCl Amb24590326 [0,1,0,0,1,0|2,0,0]=4 777 B14R1.34 O=C(Nc1cc(Cl)ccc1)OCCF Amb24383157 [0,1,0,0,1,0|2,0,0]=4 778 B14R1.34 O=C(Nc1cccc(F)c1)OCCCl Amb25668125 [0,1,0,0,1,0|2,0,0]=4 779 B14R1.34 OCCOC(=O)Nc1cc(Br)ccc1 Amb25682722 [0,1,0,0,1,0|2,0,0]=4 780 B14R1.34 OCCOC(=O)Nc1cc(F)ccc1 Amb24359274 [0,1,0,0,1,0|2,0,0]=4 781 B14R1.34 Oc1cc(ccc1)NC(=O)OCCCl Amb25076294 [0,1,0,0,1,0|2,0,0]=4 782 B14R1.166 CCCNC(=O)C(=O)c1ccccc1 Amb17336308 [0,1,0,0,1,0|1,0,0]=3 783 B14R1.166 CCCNC(=O)C(c1ccccc1)O Amb17401749 [0,1,0,0,1,0|1,0,1]=4 784 B14R1.166 CCCNC(=O)N(C)c1ccccc1 Amb23263206 [0,1,0,0,1,0|2,0,0]=4 785 B14R1.166 CCCOC(=O)C(c1ccccc1)N Amb1869293 [0,1,0,0,1,0|0,0,1]=3 786 B14R1.423 CC(=O)COC(=O)Cc1ccccc1 Amb24084925 [0,1,0,0,1,0|0,0,2]=4 787 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 Amb25108055 [0,1,0,0,1,0|2,0,0]=4 788 B14R1.423 CC(C)COC(=O)Nc1cccc[n]1 Amb24598251 [0,1,0,0,1,0|2,0,0]=4 789 B14R1.423 CC(C)CSC(=O)Nc1ccccc1 Amb25678526 [0,1,0,0,1,0|1,1,0]=4 790 B14R1.423 CC(CCC(=O)Nc1ccccc1)O Amb17336624 [0,1,0,0,1,0|2,0,0]=4 791 B14R1.423 CC(CNC(=O)Nc1ccccc1)C Amb1233725 [0,1,0,0,1,0|2,0,0]=4 792 B14R1.423 CC(COC(=O)Nc1ccccc1)C Amb1017293 [0,1,0,0,1,0|1,0,0]=3 793 B14R1.423 CC(COC(=S)Nc1ccccc1)C Amb1039629 [0,1,0,0,1,0|1,1,0]=4 794 B14R1.423 CC(Cl)CCC(=O)Nc1ccccc1 Amb25743078 [0,1,0,0,1,0|2,0,0]=4 795 B14R1.423 CC(N)CCC(=O)Nc1ccccc1 Amb23536725 [0,1,0,0,1,0|2,0,0]=4 796 B14R1.423 CC(N)CNC(=O)Nc1ccccc1 Amb18112464 [0,1,0,0,1,0|2,0,0]=4 797 B14R1.423 CC(S)CCC(=O)Nc1ccccc1 Amb24601450 [0,1,0,0,1,0|2,0,0]=4 798 B14R1.467 CCCC\C(\C=O)=C\c1ccccc1 Amb22732853 [0,1,0,0,1,0|1,0,0]=3 799 B14R1.743 CC(CBr)OC(=O)Nc1ccccc1 Amb25342612 [0,1,0,0,1,0|2,0,0]=4 800 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 Amb24666712 [0,1,0,0,1,0|2,0,0]=4 801 B14R1.743 CCC(C)OC(=O)Cc1ccccc1 Amb20246793 [0,1,0,0,1,0|0,0,1]=3 802 B14R1.743 CCC(C)SC(=O)Nc1ccccc1 Amb25743060 [0,1,0,0,1,0|1,1,0]=4 803 B14R1.743 CCC(Cl)CC(=O)Nc1ccccc1 Amb25366203 [0,1,0,0,1,0|2,0,0]=4 804 B14R1.743 CCC(NC(=O)Nc1ccccc1)C Amb1233917 [0,1,0,0,1,0|2,0,0]=4 805 B14R1.743 CC[C@@H](C)OC(=O)Nc1ccccc1 Amb24506529 [0,1,0,0,1,0|1,0,0]=3 806 B14R1.743 CC[C@@H](O)CC(=O)Nc1ccccc1 Amb25350278 [0,1,0,0,1,0|2,0,0]=4 807 B14R1.743 CC[C@H](C)CC(=O)Nc1ccccc1 Amb25678560 [0,1,0,0,1,0|2,0,0]=4 808 B14R1.743 C[C@@H](CC)NC(=O)Nc1ccccc1 Amb25183649 [0,1,0,0,1,0|2,0,0]=4 809 B14R1.946 CCCNC(=O)Cc1ccccc1C Amb10671704 [0,1,0,0,1,0|1,0,1]=4 810 B14R1.946 CCCNC(=O)Cc1ccccc1Cl Amb23014121 [0,1,0,0,1,0|1,0,1]=4 811 B14R1.946 CCCNC(=O)Cc1ccccc1F Amb23014333 [0,1,0,0,1,0|1,0,1]=4 812 B14R1.946 CCCNC(=O)Cc1ccccc1N Amb1119442 [0,1,0,0,1,0|1,0,1]=4 813 B14R1.946 CCCNC(=O)Nc1ccccc1O Amb24402949 [0,1,0,0,1,0|2,0,0]=4 814 B14R1.946 CCCOC(=O)Nc1[n]cccc1Cl Amb25141687 [0,1,0,0,1,0|2,0,0]=4 815 B14R1.946 CCCOC(=O)Nc1[n]cccc1N Amb18652147 [0,1,0,0,1,0|2,0,0]=4 816 B14R1.946 CCCOC(=O)Nc1cc[n]cc1F Amb25190963 [0,1,0,0,1,0|2,0,0]=4 817 B14R1.946 CCCOC(=O)Nc1cc[n]cc1N Amb24476137 [0,1,0,0,1,0|2,0,0]=4 818 B14R1.946 CCCOC(=O)Nc1ccccc1N Amb25322994 [0,1,0,0,1,0|1,0,0]=3 819 B14R1.946 CCCOC(=O)Nc1ccccc1O Amb18652086 [0,1,0,0,1,0|1,0,0]=3 820 B14R1.946 Cc1c[n]ccc1NC(=O)OCCC Amb25372357 [0,1,0,0,1,0|2,0,0]=4 821 B14R1.946 Cc1ccccc1NC(=O)OCCCl Amb22346292 [0,1,0,0,1,0|2,0,0]=4 822 B14R1.946 Cc1ccccc1NC(=O)OCCF Amb25366212 [0,1,0,0,1,0|2,0,0]=4 823 B14R1.946 NCCOC(=O)Nc1ccccc1Cl Amb25275992 [0,1,0,0,1,0|2,0,0]=4 824 B14R1.946 O=C(Nc1ccccc1Cl)OCCBr Amb25122907 [0,1,0,0,1,0|2,0,0]=4 825 B14R1.946 O=C(Nc1ccccc1Cl)OCCCl Amb22346426 [0,1,0,0,1,0|2,0,0]=4 826 B14R1.946 OCCOC(=O)Nc1ccccc1F Amb25341756 [0,1,0,0,1,0|2,0,0]=4 827 B14R1.946 Oc1ccccc1NC(=O)OCCO Amb25683374 [0,1,0,0,1,0|2,0,0]=4 828 B14R1.86 COCCNC(=O)/C=C/c1ccco1 Amb17794098 [0,1,0,0,1,0|2,0,0]=4 829 B14R1.155 CCCNC(=O)C=Cc1ccc(Br)[s]1 Amb21521600 [0,1,0,0,1,0|2,0,0]=4 830 B14R1.454 CCCNC(=O)\C(=C\c1cccs1)\C Amb16798971 [0,1,0,0,1,0|2,0,0]=4 831 B14R1.588 CCC(NC(=O)\C=C\c1cccs1)C Amb2239792 [0,1,0,0,1,0|2,0,0]=4 832 B16R1.8 Cc1ccc(cc1)OCCC(=O)OCCC Amb22284887 [0,1,0,0,0,1|0,0,2]=4 833 B16R1.119 CCCCC(=O)N/N=C/c1cccc(O)c1 Amb17768720 [0,1,0,0,0,1|2,0,0]=4 834 B16R1.119 CCCOC(=O)CSCc1cccc(Cl)c1 Amb22284903 [0,1,0,0,0,1|0,0,2]=4 835 B16R1.700 CCCCC(=O)NCC(=O)c1ccccc1 Amb17341279 [0,1,0,0,0,1|1,0,1]=4 836 B16R1.700 CCCNC(=O)CCC(=O)c1ccccc1 Amb17341301 [0,1,0,0,0,1|1,0,1]=4 837 B16R1.1516 CCCCC(=O)C(=O)NCc1ccccc1 Amb25112065 [0,1,0,0,0,1|1,0,1]=4 838 B16R1.1516 CCCNC(=O)C(=O)NCc1ccccc1 Amb1799286 [0,1,0,0,0,1|1,0,1]=4 839 B16R1.1694 CCCCCC(=O)N\N=C\c1ccccc1 Amb1419526 [0,1,0,0,0,1|2,0,0]=4 840 B16R1.1694 CCCCOC(=O)CNCc1ccccc1 Amb24586280 [0,1,0,0,0,1|0,0,2]=4 841 B16R1.1694 CCCCOC(=O)COCc1ccccc1 Amb25094860 [0,1,0,0,0,1|0,0,2]=4 842 B16R1.1694 CCCOCC(=O)COCc1ccccc1 Amb25258103 [0,1,0,0,0,1|0,0,2]=4 843 B16R1.1694 CCCOCC(=O)NOCc1ccccc1 Amb12803478 [0,1,0,0,0,1|1,0,1]=4 844 B16R1.1694 COCCOC(=O)NOCc1ccccc1 Amb25722773 [0,1,0,0,0,1|1,0,1]=4 845 B16R1.18213 CC(C)CNC(=O)\C=C\Sc1ccccc1 Amb22434410 [0,1,0,0,0,1|1,0,0]=3 846 B16R1.35 CCCCCC(=O)NC(=S)c1ccccc1 Amb22476909 [0,2,0,0,0,0|2,0,0]=4 847 B16R1.35 CCCCNC(=O)\C=C(\c1ccccc1)/C Amb16797053 [0,2,0,0,0,0|1,0,0]=3 848 B16R1.35 COCCNC(=O)\C=C(\c1ccccc1)/C Amb16797061 [0,2,0,0,0,0|1,0,0]=3 849 B16R1.51 CCCCNC(=O)/C=C/c1ccc(Cl)cc1 Amb17736612 [0,2,0,0,0,0|1,0,0]=3 850 B16R1.51 COCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495190 [0,2,0,0,0,0|1,0,0]=3 851 B16R1.51 COCCNC(=O)\C=C\c1ccc(cc1)C Amb2458966 [0,2,0,0,0,0|1,0,0]=3 852 B16R1.51 Cc1ccc(\C=C\C(=O)CCCCC)cc1 Amb22487148 [0,2,0,0,0,0|1,0,0]=3 853 B16R1.51 Cc1ccc(\C=C\C(=O)NCCCN)cc1 Amb18619963 [0,2,0,0,0,0|1,0,0]=3 854 B16R1.52 CCCCOC(=O)COc1cc(N)ccc1 Amb23003491 [0,2,0,0,0,0|1,0,1]=4 855 B16R1.52 CCCCOC(=O)\C=C\c1ccc[n+](c1)[O-] Amb10554287 [0,2,0,0,0,0|1,0,0]=3 856 B16R1.52 CCCCOC(=O)\C=C\c1cccc(O)c1 Amb22433227 [0,2,0,0,0,0|0,0,0]=2 857 B16R1.52 COCCNC(=O)\C=C\c1cccc(c1)N Amb17141268 [0,2,0,0,0,0|1,0,0]=3 858 B16R1.52 COCCOC(=O)COc1cc(N)ccc1 Amb23003494 [0,2,0,0,0,0|1,0,1]=4 859 B16R1.52 CSCCNC(=O)\C=C\c1cccc(O)c1 Amb24232085 [0,2,0,0,0,0|1,0,0]=3 860 B16R1.52 Cc1cc(C=CC(=O)NCCOC)ccc1 Amb20692657 [0,2,0,0,0,0|1,0,0]=3 861 B16R1.608 CC(C)CCNC(=O)C=Cc1ccc[n]c1 Amb20902240 [0,2,0,0,0,0|2,0,0]=4 862 B16R1.608 CC(C)CCNC(=O)\C=C\c1cc[n]cc1 Amb20923379 [0,2,0,0,0,0|2,0,0]=4 863 B16R1.608 CN(CCOC(=O)CCc1ccccc1)C Amb10824127 [0,2,0,0,0,0|0,0,2]=4 864 B16R1.608 CN(CCOC(=O)\C=C\c1ccccc1)C Amb1869500 [0,2,0,0,0,0|0,0,0]=2 865 B16R1.608 O=C(\C=C\c1ccccc1)NCCC(=O)O Amb1211750 [0,2,0,0,0,0|1,0,1]=4 866 B16R1.688 CCCCCNC(=O)C=Cc1ccc[n]c1 Amb20902142 [0,2,0,0,0,0|2,0,0]=4 867 B16R1.688 CCCCCOC(=O)C=Cc1ccccc1 Amb15758314 [0,2,0,0,0,0|0,0,0]=2 868 B16R1.688 CCNCCOC(=O)NCc1ccccc1 Amb24760004 [0,2,0,0,0,0|1,0,1]=4 869 B16R1.688 COCCCNC(=O)C=Cc1ccc[n]c1 Amb20911383 [0,2,0,0,0,0|2,0,0]=4 870 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 Amb15702141 [0,2,0,0,0,0|1,0,0]=3 871 B16R1.688 COCCCNC(=O)\C=C\c1cc[n]cc1 Amb20923375 [0,2,0,0,0,0|2,0,0]=4 872 B16R1.688 COCCOCC(=O)NCc1ccccc1 Amb25168511 [0,2,0,0,0,0|1,0,1]=4 873 B16R1.688 COCCONC(=O)NCc1ccccc1 Amb17020501 [0,2,0,0,0,0|1,0,1]=4 874 B16R1.688 COCCONC(=O)OCc1ccccc1 Amb17020503 [0,2,0,0,0,0|1,0,1]=4 875 B16R1.688 NCCCCNC(=O)\C=C\c1ccccc1 Amb18619997 [0,2,0,0,0,0|1,0,0]=3 876 B16R1.688 NCCCCOC(=O)NCc1ccccc1 Amb24515925 [0,2,0,0,0,0|1,0,1]=4 877 B16R1.1216 CCCCNC(=O)C(=O)Cc1ccccc1 Amb17405255 [0,2,0,0,0,0|1,0,1]=4 878 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 Amb1807183 [0,2,0,0,0,0|2,0,0]=4 879 B16R1.1216 CCCOCC(=O)N(Cc1ccccc1)C Amb12781051 [0,2,0,0,0,0|1,0,1]=4 880 B16R1.1216 COCCNC(=O)C(=O)Cc1ccccc1 Amb17405748 [0,2,0,0,0,0|1,0,1]=4 881 B16R1.1216 COCCNC(=O)\C(=C\c1ccccc1)\C Amb1864602 [0,2,0,0,0,0|1,0,0]=3 882 B16R1.1216 C\C(=C\c1ccccc1)\C(=O)NCCOC Amb22524345 [0,2,0,0,0,0|1,0,0]=3 883 B16R1.1216 OCCCNC(=O)C(=O)Nc1ccccc1 Amb1000765 [0,2,0,0,0,0|2,0,0]=4 884 B16R1.1343 CC(CNC(=O)C=Cc1ccccc1)C#N Amb19368813 [0,2,0,0,0,0|1,0,0]=3 885 B16R1.1343 CN(CCC(=O)C=Cc1ccccc1)OC Amb22229904 [0,2,0,0,0,0|2,0,0]=4 886 B16R1.1343 CN(CCC(=O)\C=C\c1ccccc1)OC Amb22497533 [0,2,0,0,0,0|2,0,0]=4 887 B16R1.1343 COC(=O)CNC(=O)\C=C\c1ccccc1 Amb1219873 [0,2,0,0,0,0|1,0,1]=4 888 B16R1.1570 CCOC(=O)CC(=O)\C=C\c1ccccc1 Amb17529751 [0,2,0,0,0,0|1,0,1]=4 889 B16R1.1570 CCOC(=S)NC(=O)\C=C\c1ccccc1 Amb16204376 [0,2,0,0,0,0|1,0,1]=4 890 B16R1.1570 CNCC(C)OC(=O)NCc1ccccc1 Amb25679365 [0,2,0,0,0,0|1,0,1]=4 891 B16R1.1570 COCC(NC(=O)\C=C\c1cccnc1)C Amb10630554 [0,2,0,0,0,0|2,0,0]=4 892 B16R1.1696 COCCNC(=O)\C=C\c1ccccc1Br Amb10468601 [0,2,0,0,0,0|1,0,0]=3 893 B16R1.20527 CCCCNS(=O)(=O)\C=C\c1ccccc1 Amb17903 [0,2,0,0,0,0|2,0,0]=4 894 B16R1.20527 COCCNS(=O)(=O)\C=C\c1ccccc1 Amb10613145 [0,2,0,0,0,0|2,0,0]=4 895 B16R1.847 CCC(NC(=O)\C=C(\c1ccccc1)/C)C Amb16797055 [0,2,0,0,0,0|1,0,0]=3 896 B16R1.847 OC[C@@H](NC(=O)\C=C(\c1ccccc1)/C)C Amb16807208 [0,2,0,0,0,0|2,0,0]=4 897 B16R1.912 CCOC(=O)C(=O)C=C([O-])c1ccccc1 Amb22452037 [0,2,0,0,0,0|2,0,0]=4 898 B16R1.4478 CCCNC(=O)\C=C(\c1ccccc1)/CC Amb16797209 [0,2,0,0,0,0|1,0,0]=3 899 B16R1.7611 CC(CNC(=O)\C=C(\c1ccccc1)/C)C Amb16797054 [0,2,0,0,0,0|1,0,0]=3 900 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)C Amb1793129 [0,2,0,0,0,0|2,0,0]=4 901 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Cl Amb1774737 [0,2,0,0,0,0|2,0,0]=4 902 B16R1.659 CCCOC(=O)C(Oc1cccc(c1)N)C Amb17110023 [0,2,0,0,0,0|1,0,1]=4 903 B16R1.851 CCC(NC(=O)\C=C\c1cccc(c1)Br)C Amb10468895 [0,2,0,0,0,0|1,0,0]=3 904 B16R1.851 CCC(NC(=O)\C=C\c1cccc(c1)N)C Amb17141101 [0,2,0,0,0,0|1,0,0]=3 905 B16R1.7334 CCCNC(=O)C=Cc1cc(Br)ccc1F Amb21521602 [0,2,0,0,0,0|1,0,0]=3 906 B16R1.7334 CCCNC(=O)C=Cc1cc(Cl)ccc1Cl Amb20816888 [0,2,0,0,0,0|1,0,0]=3 907 B16R1.7334 CCCOC(=O)C=Cc1cc(Br)ccc1F Amb22269208 [0,2,0,0,0,0|0,0,0]=2 908 B16R1.7334 CCCOC(=O)COc1cc(C)ccc1C Amb22284894 [0,2,0,0,0,0|1,0,1]=4 909 B16R1.7334 Cc1ccc(Cl)c(c1)OCC(=O)OCCC Amb22284890 [0,2,0,0,0,0|1,0,1]=4 910 B16R1.11227 CC(C)COC(=O)COc1cccc(N)c1 Amb23003492 [0,2,0,0,0,0|1,0,1]=4 911 B16R1.11227 CC(CNC(=O)\C=C\c1cccc(c1)Br)C Amb11218663 [0,2,0,0,0,0|1,0,0]=3 912 B16R1.11227 CC(CNC(=O)\C=C\c1cccc(c1)N)C Amb17141100 [0,2,0,0,0,0|1,0,0]=3 913 B16R1.11227 Cc1cc(C=CC(=O)NCC(C)C)ccc1 Amb21129765 [0,2,0,0,0,0|1,0,0]=3 914 B16R1.11227 NC(=O)COC(=O)\C=C\c1cccc(c1)Br Amb2272258 [0,2,0,0,0,0|1,0,1]=4 915 B16R1.20755 CCCNC(=O)\C=C\c1cccc(c1)OC Amb16767516 [0,2,0,0,0,0|1,0,0]=3 916 B16R1.20755 CCCOC(=O)COc1cccc(CC)c1 Amb22284897 [0,2,0,0,0,0|1,0,1]=4 917 B16R1.20755 COc1cc(C=CC(=O)OCCC)ccc1 Amb22269216 [0,2,0,0,0,0|0,0,0]=2 918 B16R1.20755 COc1cc(ccc1)\C=C\C(=O)NCCN Amb18619941 [0,2,0,0,0,0|2,0,0]=4 919 B16R1.20760 CCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 Amb17861296 [0,2,0,0,0,0|1,0,0]=3 920 B16R1.20760 CCCNC(=O)\C=C\c1ccc(c(c1)N)C Amb17141104 [0,2,0,0,0,0|1,0,0]=3 921 B16R1.20760 CCCNC(=O)\C=C\c1ccc(c(c1)N)Cl Amb17158687 [0,2,0,0,0,0|1,0,0]=3 922 B16R1.20760 CCCNC(=O)\C=C\c1ccc(c(c1)N)F Amb17141555 [0,2,0,0,0,0|1,0,0]=3 923 B16R1.20760 Cc1ccc(C=CC(=O)NCCC)cc1Cl Amb22289003 [0,2,0,0,0,0|1,0,0]=3 924 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)C Amb1817732 [0,2,0,0,0,0|2,0,0]=4 925 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)F Amb1015068 [0,2,0,0,0,0|2,0,0]=4 926 B16R1.658 CCCNC(=O)\C(=C\c1ccc(cc1)Cl)\C Amb16799161 [0,2,0,0,0,0|1,0,0]=3 927 B16R1.658 CCCOC(=O)C(C)Sc1ccc(Cl)cc1 Amb22269213 [0,2,0,0,0,0|1,0,1]=4 928 B16R1.658 Cc1ccc(cc1)OC(C)C(=O)OCCC Amb22269211 [0,2,0,0,0,0|1,0,1]=4 929 B16R1.658 ClCCOC(=O)C(=O)Nc1ccc(cc1)C Amb10244504 [0,2,0,0,0,0|2,0,0]=4 930 B16R1.658 OCCOC(=O)C(=O)Nc1ccc(cc1)C Amb10244505 [0,2,0,0,0,0|2,0,0]=4 931 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(O)cc1 Amb22268945 [0,2,0,0,0,0|1,0,0]=3 932 B16R1.979 CCOC(=O)C(=O)\C=C\c1ccc(cc1)Cl Amb17254423 [0,2,0,0,0,0|2,0,0]=4 933 B16R1.979 Cc1ccc(\C=C\C(=O)N(C)CCN)cc1 Amb18631573 [0,2,0,0,0,0|2,0,0]=4 934 B16R1.1061 NC(=O)COC(=O)\C=C\c1ccc(cc1)Cl Amb2291608 [0,2,0,0,0,0|1,0,1]=4 935 B16R1.1478 Cc1cc(Cl)ccc1OCC(=O)OCCC Amb22284896 [0,2,0,0,0,0|1,0,1]=4 936 B16R1.1478 Cc1ccc(C=CC(=O)NCCC)c(Br)c1 Amb22269170 [0,2,0,0,0,0|1,0,0]=3 937 B16R1.1478 N#CCOC(=O)\C=C\c1ccc(cc1Cl)Cl Amb2422938 [0,2,0,0,0,0|1,0,1]=4 938 B16R1.1478 NCCNC(=O)\C=C\c1ccc(Cl)cc1Cl Amb18619935 [0,2,0,0,0,0|2,0,0]=4 939 B16R1.1480 CCCOC(=O)COc1ccc(cc1)C=O Amb2209385 [0,2,0,0,0,0|1,0,1]=4 940 B16R1.1480 COc1ccc(\C=C\C(=O)OCCC)cc1 Amb21963214 [0,2,0,0,0,0|0,0,0]=2 941 B16R1.126 CC\C(=C/c1ccccc1)\C(=O)NCCC Amb16799199 [0,2,0,0,0,0|1,0,0]=3 942 B16R1.1127 CC(Oc1ccccc1)C(=O)OC(C)CC Amb22448698 [0,2,0,0,0,0|1,0,1]=4 943 B16R1.1127 CCC(NC(=O)C(=O)Nc1ccccc1)C Amb10776598 [0,2,0,0,0,0|2,0,0]=4 944 B16R1.1127 CCC(NC(=O)\C(=C\c1ccccc1)\C)C Amb1853630 [0,2,0,0,0,0|1,0,0]=3 945 B16R1.1127 OC[C@@H](NC(=O)\C(=C\c1ccccc1)\C)C Amb16807237 [0,2,0,0,0,0|2,0,0]=4 946 B16R1.1284 CC(CNC(=O)C(=O)Nc1ccccc1)O Amb10775468 [0,2,0,0,0,0|2,0,0]=4 947 B16R1.1284 CC(CNC(=O)\C(=C\c1ccccc1)\C)C Amb1853629 [0,2,0,0,0,0|1,0,0]=3 948 B16R1.1284 CN(CCC(=O)\C(=C\c1ccccc1)\C)C Amb1776822 [0,2,0,0,0,0|2,0,0]=4 949 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Br Amb1213473 [0,2,0,0,0,0|2,0,0]=4 950 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1C Amb1818532 [0,2,0,0,0,0|2,0,0]=4 951 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Cl Amb1782151 [0,2,0,0,0,0|2,0,0]=4 952 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1F Amb1813713 [0,2,0,0,0,0|2,0,0]=4 953 B16R1.7523 CCCNC(=O)\C(=C\c1ccccc1F)\C Amb16799094 [0,2,0,0,0,0|1,0,0]=3 954 B16R1.853 CC(CC)NC(=O)C=Cc1ccccc1F Amb22268946 [0,2,0,0,0,0|1,0,0]=3 955 B16R1.853 CCC(NC(=O)\C=C\c1ccccc1Br)C Amb10468822 [0,2,0,0,0,0|1,0,0]=3 956 B16R1.853 Cc1ccccc1C=CC(=O)NC(C)CC Amb22268790 [0,2,0,0,0,0|1,0,0]=3 957 B16R1.1672 CN(C(C)CC)C(=O)C=Cc1ccc[n]c1 Amb21272445 [0,2,0,0,0,0|2,0,0]=4 958 B16R1.4122 CC(C(=O)N)OC(=O)\C=C\c1ccccc1 Amb1673091 [0,2,0,0,0,0|1,0,1]=4 959 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 Amb21429934 [0,2,0,0,0,0|1,0,0]=3 960 B16R1.4122 CC(C)C(C)NC(=O)\C=C\c1ccccc1 Amb23329042 [0,2,0,0,0,0|1,0,0]=3 961 B16R1.4122 O=C(NC(C(C)C)C)\C=C\c1cccnc1 Amb10630560 [0,2,0,0,0,0|2,0,0]=4 962 B16R1.7289 CCC(CC)NC(=O)C=Cc1ccc[n]c1 Amb20902353 [0,2,0,0,0,0|2,0,0]=4 963 B16R1.7289 CCC(CN)NC(=O)\C=C\c1ccccc1 Amb18631492 [0,2,0,0,0,0|1,0,0]=3 964 B16R1.10317 CCC(NC(=O)\C=C\c1cccnc1)(C)C Amb10707206 [0,2,0,0,0,0|2,0,0]=4 965 B16R1.10317 CCC(NC(=O)\C=C\c1ccncc1)(C)C Amb10724412 [0,2,0,0,0,0|2,0,0]=4 966 B16R1.17161 CCC(C)NS(=O)(=O)C=Cc1ccccc1 Amb22268977 [0,2,0,0,0,0|2,0,0]=4 967 B16R1.6944 CN(CC(C)C)C(=O)C=Cc1ccc[n]c1 Amb20961385 [0,2,0,0,0,0|2,0,0]=4 968 B16R1.6944 CN(CC(C)C)C(=O)C=Cc1ccccc1 Amb20961201 [0,2,0,0,0,0|1,0,0]=3 969 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F Amb21129758 [0,2,0,0,0,0|1,0,0]=3 970 B16R1.400 CC(CNC(=O)\C=C\c1ccccc1Br)C Amb11218658 [0,2,0,0,0,0|1,0,0]=3 971 B16R1.400 CC(CNC(=O)\C=C\c1ccccc1Cl)C Amb1831964 [0,2,0,0,0,0|1,0,0]=3 972 B16R1.1454 CCCOC(=O)COc1ccccc1C#N Amb22284899 [0,2,0,0,0,0|1,0,1]=4 973 B16R1.90074 CCCOC(=O)COc1c(C)cccc1C Amb22284893 [0,2,0,0,0,0|1,0,1]=4 974 B16R1.1771 CC(CNS(=O)(=O)\C=C\c1ccccc1)C Amb15839566 [0,2,0,0,0,0|2,0,0]=4 975 B16R1.22556 O=C(C=Cc1ccccc1)NCC(F)(F)F Amb15702265 [0,2,0,0,0,0|2,0,0]=4 976 B16R1.22556 O=C(C=Cc1ccccc1)OCC(Br)(Br)Br Amb22471678 [0,2,0,0,0,0|1,0,0]=3 977 B14R1.934 CCCOC(=O)c1cccc(c1)CN Amb17084760 [0,0,1,1,0,0|1,0,1]=4 978 B14R1.934 CCCOC(=O)c1cccc(c1)NC Amb17307184 [0,0,1,1,0,0|1,0,1]=4 979 B14R1.918 CCCOC(=O)c1cc(Br)ccc1N Amb13951731 [0,0,1,1,0,0|2,0,0]=4 980 B14R1.918 CCCOC(=O)c1cc(Br)ccc1O Amb16232948 [0,0,1,1,0,0|2,0,0]=4 981 B14R1.918 CCCOC(=O)c1cc(I)ccc1O Amb16232636 [0,0,1,1,0,0|2,0,0]=4 982 B14R1.918 CCCOC(=O)c1cc(N)ccc1Cl Amb17307882 [0,0,1,1,0,0|2,0,0]=4 983 B14R1.918 CCCOC(=O)c1cc(N)ccc1Cl Amb2149316 [0,0,1,1,0,0|2,0,0]=4 984 B14R1.918 CCCOC(=O)c1cc(O)ccc1N Amb19016134 [0,0,1,1,0,0|2,0,0]=4 985 B14R2.3 CCCCn1ccc2c1cccc2 Amb10603405 [1,0,0,1,0,0|2,0,0]=4 986 B14R2.3 CCCNc1c[nH]c2ccccc12 Amb25727240 [1,0,0,1,0,0|2,0,0]=4 987 B14R2.3 CCCO[n]1c[n]c2ccccc12 Amb24725237 [1,0,0,1,0,0|2,0,0]=4 988 B14R2.3 NCCOc1c[nH]c2ccccc12 Amb24559858 [1,0,0,1,0,0|2,0,0]=4 989 B14R2.3 OCCOc1c[s]c2ccccc21 Amb24495620 [1,0,0,1,0,0|2,0,0]=4 990 B14R2.6 C/1NCCC\C1=C/c2ccccc2 Amb18127114 [1,0,0,1,0,0|1,0,1]=4 991 B14R2.6 C1CCCC=C1Nc2ccccc2 Amb25224352 [1,0,0,1,0,0|2,0,0]=4 992 B14R2.14 CC[n]1[n]ccc1-c2ccccc2 Amb18178011 [1,0,0,1,0,0|2,0,0]=4 993 B14R2.14 CCc1[nH]ccc1-c2ccccc2 Amb24680136 [1,0,0,1,0,0|1,0,1]=4 994 B14R2.14 NCc1occc1-c2ccccc2 Amb18908922 [1,0,0,1,0,0|1,0,1]=4 995 B14R2.24 CC1CNCC=C1c2ccccc2 Amb24488874 [1,0,0,1,0,0|1,0,1]=4 996 B14R2.101 C(\N=C/1\CCCO1)c2ccccc2 Amb24452625 [1,0,0,1,0,0|1,0,1]=4 997 B14R2.101 C/1CCO\C1=C\Nc2ccccc2 Amb24621251 [1,0,0,1,0,0|1,0,0]=3 998 B14R2.101 C1CCC(C=Cc2ccccc2)N1 Amb23536589 [1,0,0,1,0,0|1,0,1]=4 999 B14R2.101 C1CCC(\C=C\c2ccccc2)N1 Amb24435044 [1,0,0,1,0,0|1,0,1]=4 1000 B14R2.101 C1CN=C(\C=C\c2ccccc2)N1 Amb24664157 [1,0,0,1,0,0|2,0,0]=4 1001 B14R2.101 C1CN[C@@H](C1)\C=C\c2ccccc2 Amb10567260 [1,0,0,1,0,0|1,0,1]=4 1002 B14R2.101 C1COB(\C=C\c2ccccc2)O1 Amb24543987 [1,0,0,1,0,0|2,0,0]=4 1003 B14R2.101 c1ccc(cc1)\C=C\C2=NCCS2 Amb10573094 [1,0,0,1,0,0|1,1,0]=4 1004 B14R2.1253 C1CN=C(C=CN1)c2ccccc2 Amb24119651 [1,0,0,1,0,0|2,0,0]=4 1005 B14R2.7150 CCCN1C=CCc2ccccc12 Amb24653944 [1,0,0,1,0,0|1,0,1]=4 1006 B14R2.7150 CCNc1cccc2ccccc21 Amb22731466 [1,0,0,1,0,0|2,0,0]=4 1007 B14R2.7150 CCNc1cccc2ccccc21 Amb22731519 [1,0,0,1,0,0|2,0,0]=4 1008 B14R2.7150 CNCc1cccc2c1cccc2 Amb1115895 [1,0,0,1,0,0|2,0,0]=4 1009 B14R2.7150 CSC[n+]1cccc2c1cccc2 Amb10573341 [1,0,0,1,0,0|2,0,0]=4 1010 B14R2.7150 ClCC[n+]1cccc2c1cccc2 Amb10553551 [1,0,0,1,0,0|2,0,0]=4 1011 B14R2.7150 NCCc1cccc2ccccc21 Amb19373183 [1,0,0,1,0,0|2,0,0]=4 1012 B14R2.7150 SCCc1cccc2ccccc21 Amb25757447 [1,0,0,1,0,0|2,0,0]=4 1013 B14R2.15 CCC1C(=O)NC1c2ccccc2 Amb2388317 [1,0,0,1,0,0|1,0,1]=4 1014 B14R2.21 ClC1CCCC(=C1)c2ccccc2 Amb24655725 [1,0,0,1,0,0|1,0,1]=4 1015 B14R2.21 NC1CCCC(=C1)c2ccccc2 Amb24724287 [1,0,0,1,0,0|1,0,1]=4 1016 B14R2.21 O=C1CC(CCC1)c2ccccc2 Amb18065540 [1,0,0,1,0,0|0,0,2]=4 1017 B14R2.21 O=C1CC(CCO1)c2ccccc2 Amb22499444 [1,0,0,1,0,0|0,0,2]=4 1018 B14R2.21 O=C1CCCC(=C1)c2cc[n]cc2 Amb25730131 [1,0,0,1,0,0|1,0,0]=3 1019 B14R2.21 O=C1CCCC(O1)c2ccccc2 Amb24118032 [1,0,0,1,0,0|1,0,1]=4 1020 B14R2.21 O=C1CCC[C@@H](N1)c2ccccc2 Amb24759096 [1,0,0,1,0,0|1,0,1]=4 1021 B14R2.21 O=C1CCC[C@@H](O1)c2ccccc2 Amb25097059 [1,0,0,1,0,0|1,0,1]=4 1022 B14R2.21 O=C1CCC[C@H](N1)c2ccccc2 Amb25131134 [1,0,0,1,0,0|1,0,1]=4 1023 B14R2.21 O=C1CCC[C@H](O1)c2ccccc2 Amb25100832 [1,0,0,1,0,0|1,0,1]=4 1024 B14R2.21 O=C1CCNC(=N1)c2ccccc2 Amb25053953 [1,0,0,1,0,0|2,0,0]=4 1025 B14R2.21 O=C1CCOC(=C1)c2ccccc2 Amb22750040 [1,0,0,1,0,0|1,0,0]=3 1026 B14R2.21 O=C1CN(CCC1)c2ccccc2 Amb19958729 [1,0,0,1,0,0|1,0,1]=4 1027 B14R2.21 O=C1C[C@@H](CCC1)c2ccccc2 Amb22745610 [1,0,0,1,0,0|0,0,2]=4 1028 B14R2.21 O=C1C[C@@H](CCO1)c2ccccc2 Amb25113432 [1,0,0,1,0,0|0,0,2]=4 1029 B14R2.21 O=C1N[C@@H](CCO1)c2ccccc2 Amb25153780 [1,0,0,1,0,0|1,0,1]=4 1030 B14R2.21 O=C1N[C@H](CCO1)c2ccccc2 Amb24427391 [1,0,0,1,0,0|1,0,1]=4 1031 B14R2.21 O[C@@H]1CCCC(=C1)c2ccccc2 Amb24412950 [1,0,0,1,0,0|0,0,2]=4 1032 B14R2.21 O[C@H]1CCCC(=C1)c2ccccc2 Amb25712076 [1,0,0,1,0,0|0,0,2]=4 1033 B14R2.52 C=C1CC(O)c2ccccc2C=C1 Amb24355238 [1,0,0,1,0,0|2,0,0]=4 1034 B14R2.112 BrCCc1ccc2ccccc2[n]1 Amb25113626 [1,0,0,1,0,0|2,0,0]=4 1035 B14R2.112 CCCc1c[n]c2ccccc2[n]1 Amb24084967 [1,0,0,1,0,0|2,0,0]=4 1036 B14R2.112 CCCc1cc2ccccc2[n]c1 Amb25131731 [1,0,0,1,0,0|2,0,0]=4 1037 B14R2.112 CCNc1cc2ccccc2cc1 Amb24325293 [1,0,0,1,0,0|2,0,0]=4 1038 B14R2.112 CCOC1C=Cc2ccccc2N1 Amb24615224 [1,0,0,1,0,0|1,0,1]=4 1039 B14R2.112 CCOC1C=Cc2ccccc2O1 Amb24084263 [1,0,0,1,0,0|0,0,2]=4 1040 B14R2.112 CCOc1c[n]c2ccccc2[n]1 Amb24083964 [1,0,0,1,0,0|2,0,0]=4 1041 B14R2.112 CCOc1cc2c[n]ccc2cc1 Amb24092060 [1,0,0,1,0,0|2,0,0]=4 1042 B14R2.112 CCOc1cc2cc[n]cc2cc1 Amb24091639 [1,0,0,1,0,0|2,0,0]=4 1043 B14R2.112 CCOc1cc2ccc[n]c2cc1 Amb19106597 [1,0,0,1,0,0|2,0,0]=4 1044 B14R2.112 CCOc1cc2ccccc2[n]c1 Amb25138490 [1,0,0,1,0,0|2,0,0]=4 1045 B14R2.112 CCOc1ccc2c(n1)cccc2 Amb15691601 [1,0,0,1,0,0|1,0,0]=3 1046 B14R2.112 CCSc1cc2ccccc2cc1 Amb24359866 [1,0,0,1,0,0|1,1,0]=4 1047 B14R2.112 CNCc1ccc2c(c1)cccc2 Amb1106022 [1,0,0,1,0,0|2,0,0]=4 1048 B14R2.112 COCc1ccc2ccccc2[n]1 Amb24065155 [1,0,0,1,0,0|2,0,0]=4 1049 B14R2.112 ClCCc1ccc2ccccc2[n]1 Amb25849148 [1,0,0,1,0,0|2,0,0]=4 1050 B14R2.112 ICCc1cc2ccccc2cc1 Amb24534558 [1,0,0,1,0,0|2,0,0]=4 1051 B14R2.203 C=C1C=Cc2ccccc2C1CO Amb24404781 [1,0,0,1,0,0|2,0,0]=4 1052 B14R2.203 CCC1C(=O)CCc2ccccc21 Amb25084971 [1,0,0,1,0,0|0,0,2]=4 1053 B14R2.203 CCC1C(=O)COc2ccccc21 Amb24492409 [1,0,0,1,0,0|1,0,1]=4 1054 B14R2.203 CCN1C(=O)C=Cc2ccccc12 Amb22360524 [1,0,0,1,0,0|1,0,0]=3 1055 B14R2.203 CCN1C(=S)C=Cc2ccccc12 Amb20247294 [1,0,0,1,0,0|1,1,0]=4 1056 B14R2.203 CC[n+]1c(C)ccc2c1cccc2 Amb1144527 [1,0,0,1,0,0|2,0,0]=4 1057 B14R2.203 CCc1c(O)ccc2ccccc21 Amb25833618 [1,0,0,1,0,0|0,0,2]=4 1058 B14R2.203 CON1C(=O)C=Cc2ccccc12 Amb25064680 [1,0,0,1,0,0|2,0,0]=4 1059 B14R2.280 O=C1CCCc2ccccc2C=C1 Amb24408507 [1,0,0,1,0,0|0,0,0]=2 1060 B14R2.344 C[C@H]1C[C@]1(N)\C=C\c2ccccc2 Amb24595749 [1,0,0,1,0,0|1,0,1]=4 1061 B14R2.598 CC1CC(=O)C=C1c2ccccc2 Amb25112554 [1,0,0,1,0,0|0,0,0]=2 1062 B14R2.598 CC1CC(=O)NC1c2ccccc2 Amb24715638 [1,0,0,1,0,0|1,0,1]=4 1063 B14R2.598 CC1OC(=O)NC1c2ccccc2 Amb25759483 [1,0,0,1,0,0|1,0,1]=4 1064 B14R2.598 CC1OC(=O)OC1c2ccccc2 Amb25263220 [1,0,0,1,0,0|1,0,1]=4 1065 B14R2.598 C[C@@H]1CC(=O)C[C@@H]1c2ccccc2 Amb25373264 [1,0,0,1,0,0|0,0,2]=4 1066 B14R2.598 C[C@@H]1CC(=O)C[C@H]1c2ccccc2 Amb24584459 [1,0,0,1,0,0|0,0,2]=4 1067 B14R2.598 C[C@@H]1CC(=O)N[C@H]1c2ccccc2 Amb24585758 [1,0,0,1,0,0|1,0,1]=4 1068 B14R2.598 C[C@@H]1OC(=O)N[C@@H]1c2ccccc2 Amb25226668 [1,0,0,1,0,0|1,0,1]=4 1069 B14R2.598 C[C@@H]1OC(=O)N[C@H]1c2ccccc2 Amb25220629 [1,0,0,1,0,0|1,0,1]=4 1070 B14R2.598 C[C@H]1CC(=O)C[C@H]1c2ccccc2 Amb24583010 [1,0,0,1,0,0|0,0,2]=4 1071 B14R2.598 C[C@H]1CC(=O)N[C@@H]1c2ccccc2 Amb25231239 [1,0,0,1,0,0|1,0,1]=4 1072 B14R2.598 C[n]1oc(=O)cc1-c2ccccc2 Amb24065754 [1,0,0,1,0,0|1,0,0]=3 1073 B14R2.598 O=C1OC(=O)C=C1c2ccccc2 Amb2431774 [1,0,0,1,0,0|1,0,1]=4 1074 B14R2.598 OC1CC(=O)C=C1c2ccccc2 Amb25371913 [1,0,0,1,0,0|1,0,0]=3 1075 B14R2.737 CC/1NC(=O)\C1=C/c2ccccc2 Amb24682076 [1,0,0,1,0,0|1,0,0]=3 1076 B14R2.737 C[C@@H]/1NC(=O)\C1=C\c2ccccc2 Amb24391581 [1,0,0,1,0,0|1,0,0]=3 1077 B14R2.2899 O=C(C1CC1)NNc2ccccc2 Amb1229321 [1,0,0,1,0,0|2,0,0]=4 1078 B14R2.2899 O=C(C1CC1)\C=C\c2ccccc2 Amb1796193 [1,0,0,1,0,0|0,0,0]=2 1079 B14R2.2899 O=C(CNc1ccccc1)C2CC2 Amb25153575 [1,0,0,1,0,0|1,0,1]=4 1080 B14R2.2899 O=C(OCc1ccccc1)C2CC2 Amb25739352 [1,0,0,1,0,0|1,0,1]=4 1081 B14R2.2899 O=C(\C=C/c1ccccc1)C2CC2 Amb24492458 [1,0,0,1,0,0|0,0,0]=2 1082 B14R2.2899 O=C(\C=C\c1ccc[n]c1)C2CC2 Amb25817961 [1,0,0,1,0,0|1,0,0]=3 1083 B14R2.2899 O=C(\C=C\c1ccccc1)C2CO2 Amb25210675 [1,0,0,1,0,0|1,0,0]=3 1084 B14R2.2899 O=C(\C=C\c1ccccc1)N2CC2 Amb25817960 [1,0,0,1,0,0|1,0,0]=3 1085 B14R2.2899 OC(\C=C\c1ccccc1)C2CC2 Amb25697615 [1,0,0,1,0,0|0,0,2]=4 1086 B14R2.33858 CCCC(=O)C1Cc2ccccc21 Amb24737559 [1,0,0,1,0,0|0,0,2]=4 1087 B14R2.39 CCOC=1C(=O)C1c2ccccc2 Amb24492195 [0,0,0,1,1,0|2,0,0]=4 1088 B14R2.67 CCCCC1=Cc2c(C1)cccc2 Amb15692408 [0,0,0,1,1,0|2,0,0]=4 1089 B14R2.67 CCCCc1cc2ccccc2[nH]1 Amb24489594 [0,0,0,1,1,0|2,0,0]=4 1090 B14R2.67 CCCOc1[n]c2ccccc2[s]1 Amb24084955 [0,0,0,1,1,0|1,1,0]=4 1091 B14R2.67 CCCOc1[n]c2ccccc2o1 Amb24742047 [0,0,0,1,1,0|1,0,1]=4 1092 B14R2.67 CCCSc1cc2ccccc2[s]1 Amb24667916 [0,0,0,1,1,0|0,2,0]=4 1093 B14R2.84 CCC1NC(=O)C1c2ccccc2 Amb25348333 [0,0,0,1,1,0|1,0,1]=4 1094 B14R2.277 CC=1CCC(=O)C1c2ccccc2 Amb24620107 [0,0,0,1,1,0|1,0,1]=4 1095 B14R2.277 C[C@@H]1CCC(=O)[C@@H]1c2ccccc2 Amb25205730 [0,0,0,1,1,0|1,0,1]=4 1096 B14R2.277 C[C@H]1CCC(=O)[C@H]1c2ccccc2 Amb25373309 [0,0,0,1,1,0|1,0,1]=4 1097 B14R2.277 O=C1OCC(I)=C1c2ccccc2 Amb25126069 [0,0,0,1,1,0|1,0,1]=4 1098 B14R2.277 OC1COC(=O)C1c2ccccc2 Amb24719649 [0,0,0,1,1,0|1,0,1]=4 1099 B14R2.343 CC1CC1C(=O)Cc2ccccc2 Amb18180446 [0,0,0,1,1,0|1,0,1]=4 1100 B14R2.343 CC1CC1C(=O)Oc2ccccc2 Amb25725117 [0,0,0,1,1,0|2,0,0]=4 1101 B14R2.343 C[C@H]1C[C@@H]1C(=O)Oc2ccccc2 Amb25370249 [0,0,0,1,1,0|2,0,0]=4 1102 B14R2.517 CCCC1C(=O)Nc2c1cccc2 Amb17233120 [0,0,0,1,1,0|2,0,0]=4 1103 B14R2.517 CCCC1C(=O)Oc2ccccc21 Amb24104589 [0,0,0,1,1,0|2,0,0]=4 1104 B14R2.517 CCCN1C(=O)Nc2ccccc12 Amb18034258 [0,0,0,1,1,0|2,0,0]=4 1105 B14R2.517 Cc1cc2ccccc2[n]1CCC Amb20237163 [0,0,0,1,1,0|2,0,0]=4 1106 B14R2.1146 CCC1NC(=O)Cc2ccccc21 Amb24341183 [0,0,0,1,1,0|1,0,1]=4 1107 B14R2.1146 CCC1NC(=O)Oc2ccccc21 Amb25123913 [0,0,0,1,1,0|2,0,0]=4 1108 B14R2.1146 CCC1OC(=S)Nc2ccccc21 Amb25046206 [0,0,0,1,1,0|1,1,0]=4 1109 B14R2.1146 CCC1OC(N)=Nc2ccccc21 Amb24358774 [0,0,0,1,1,0|2,0,0]=4 1110 B14R2.1146 OCC1OC(=O)Nc2ccccc21 Amb25757992 [0,0,0,1,1,0|2,0,0]=4 1111 B14R2.9589 C\C(=C\c1ccccc1)\C2CCC2 Amb25675651 [0,0,0,1,1,0|2,0,0]=4 1112 B14R2.9589 O=C(C1CCC1)Nc2ccccc2 Amb1205040 [0,0,0,1,1,0|2,0,0]=4 1113 B14R2.9589 O=C(Cc1ccccc1)C2CCC2 Amb18180445 [0,0,0,1,1,0|1,0,1]=4 1114 B14R2.9589 O=C(Cc1ccccc1)N2CCC2 Amb24370957 [0,0,0,1,1,0|1,0,1]=4 1115 B14R2.9589 O=C(Nc1ccccc1)N2CCC2 Amb25669364 [0,0,0,1,1,0|2,0,0]=4 1116 B14R2.9589 O=C(Oc1ccccc1)N2CCC2 Amb25724473 [0,0,0,1,1,0|2,0,0]=4 1117 B14R2.9593 O=C(CC1CC1)Nc2ccccc2 Amb25820905 [0,0,0,1,1,0|2,0,0]=4 1118 B14R2.9593 O=C(Cc1ccccc1)NC2CC2 Amb16191813 [0,0,0,1,1,0|1,0,1]=4 1119 B14R2.50 O=C/1CCCC\C1=C/c2cccs2 Amb2371308 [0,0,0,1,1,0|2,0,0]=4 1120 B14R2.50 O=C/1CCCC\C1=C\c2c[s]cc2 Amb25776052 [0,0,0,1,1,0|2,0,0]=4 1121 B14R2.50 O=C/1CCCC\C1=C\c2ccc[nH]2 Amb25140108 [0,0,0,1,1,0|2,0,0]=4 1122 B14R2.50 O=C/1CCCC\C1=C\c2ccco2 Amb1159142 [0,0,0,1,1,0|2,0,0]=4 1123 B14R2.50 O=C/1CCCC\C1=C\c2cccs2 Amb1155087 [0,0,0,1,1,0|2,0,0]=4 1124 B14R2.50 O=C/1NCCC\C1=C/c2c[s]cc2 Amb24600074 [0,0,0,1,1,0|2,0,0]=4 1125 B14R2.50 O=C/1NCCC\C1=C/c2ccco2 Amb25267550 [0,0,0,1,1,0|2,0,0]=4 1126 B14R2.388 O=C1CCCCC(=C1)c2c[s]cc2 Amb24430415 [0,0,0,1,1,0|2,0,0]=4 1127 B14R2.388 O=C1CCCCC(=C1)c2ccc[s]2 Amb25044136 [0,0,0,1,1,0|2,0,0]=4 1128 B14R2.388 O=C1CCCCC(=C1)c2ccco2 Amb24642250 [0,0,0,1,1,0|2,0,0]=4 1129 B14R2.991 CCCOc1cc2[nH]ccc2cc1 Amb24732796 [0,0,0,1,1,0|2,0,0]=4 1130 B14R2.991 CCCOc1cc2cc[nH]c2cc1 Amb22059715 [0,0,0,1,1,0|2,0,0]=4 1131 B14R2.991 CCCOc1ccc2[nH]ccc2[n]1 Amb24738365 [0,0,0,1,1,0|2,0,0]=4 1132 B14R2.4572 CC/1CCC(=O)\C1=C/c2ccco2 Amb25262672 [0,0,0,1,1,0|2,0,0]=4 1133 B14R2.4572 CC/1COC(=O)\C1=N/[n]2cccc2 Amb24689002 [0,0,0,1,1,0|2,0,0]=4 1134 B14R2.13184 O=C(\C=C\c1cc[nH]c1)NC2CC2 Amb25852487 [0,0,0,1,1,0|2,0,0]=4 1135 B14R2.40225 O=C(\C=C\c1cc[nH]c1)N2CCC2 Amb25283895 [0,0,0,1,1,0|2,0,0]=4 1136 B16R2.37 C#CCOC(=O)c1c[nH]c2ccccc12 Amb23531852 [0,0,0,1,0,1|0,0,2]=4 1137 B16R2.37 C=CCOC(=O)c1c[nH]c2ccccc12 Amb23531851 [0,0,0,1,0,1|0,0,2]=4 1138 B16R2.37 CCCNC(=O)c1n[nH]c2c1cccc2 Amb1384122 [0,0,0,1,0,1|2,0,0]=4 1139 B16R2.37 CCNCC(=O)c1c[nH]c2ccccc12 Amb18566519 [0,0,0,1,0,1|2,0,0]=4 1140 B16R2.37 CNCCC(=O)c1c[nH]c2ccccc12 Amb18566521 [0,0,0,1,0,1|2,0,0]=4 1141 B16R2.37 O=C(NCCBr)c1c[s]c2ccccc12 Amb25723456 [0,0,0,1,0,1|2,0,0]=4 1142 B16R2.37 O=C(NCCBr)c1coc2ccccc12 Amb24759965 [0,0,0,1,0,1|2,0,0]=4 1143 B16R2.37 O=C(NCCCl)c1coc2ccccc12 Amb25064948 [0,0,0,1,0,1|2,0,0]=4 1144 B16R2.37 OCCCC(=O)c1c[nH]c2ccccc12 Amb18864746 [0,0,0,1,0,1|2,0,0]=4 1145 B16R2.71 O=C/1CCCC\C1=C/Nc2ccccc2 Amb1625243 [0,0,0,1,0,1|1,0,0]=3 1146 B16R2.71 O=C/1CCCC\C1=C\Nc2ccccc2 Amb2386732 [0,0,0,1,0,1|1,0,0]=3 1147 B16R2.150 CCCNc1scc(n1)c2ccccc2 Amb10073500 [0,0,0,1,0,1|2,0,0]=4 1148 B16R2.3602 CCCN1C(=NOC1=O)c2ccccc2 Amb22100006 [0,0,0,1,0,1|2,0,0]=4 1149 B16R2.3602 CCCn1c(C)ccc1c2ccccc2 Amb17236965 [0,0,0,1,0,1|2,0,0]=4 1150 B16R2.146980 O=C(\C=C\Sc1ccccc1)NC2CC2 Amb19394889 [0,0,0,1,0,1|1,0,0]=3 1151 B16R2.69 O=C1COCCCN1Cc2ccccc2 Amb16186654 [0,1,0,1,0,0|1,0,1]=4 1152 B16R2.252 Clc1cc(ccc1)\C=C\C2=NCCCS2 Amb22481443 [0,1,0,1,0,0|1,1,0]=4 1153 B16R2.252 Fc1cc(ccc1)\C=C\C2=NCCCS2 Amb22442759 [0,1,0,1,0,0|1,1,0]=4 1154 B16R2.252 Oc1cc(ccc1)\C=C\C=2NCCCN2 Amb22443911 [0,1,0,1,0,0|2,0,0]=4 1155 B16R2.2238 O=C(C#Cc1ccccc1)C2CCCO2 Amb25108794 [0,1,0,1,0,0|0,0,2]=4 1156 B16R2.2238 O=C(C1CCCO1)NCc2ccccc2 Amb154462 [0,1,0,1,0,0|1,0,1]=4 1157 B16R2.2238 O=C(C=Cc1ccc[n]c1)N2CCCC2 Amb20911088 [0,1,0,1,0,0|2,0,0]=4 1158 B16R2.2238 O=C(OCc1ccccc1)C2CCCO2 Amb25061813 [0,1,0,1,0,0|1,0,1]=4 1159 B16R2.2238 O=C(OCc1ccccc1)N2CCCO2 Amb24405199 [0,1,0,1,0,0|1,0,1]=4 1160 B16R2.2334 ClCC1COC(C=Cc2ccccc2)O1 Amb24097647 [0,1,0,1,0,0|0,0,2]=4 1161 B16R2.2441 BrCCCOc1ccc2c(c1)cccc2 Amb2231590 [0,1,0,1,0,0|1,0,0]=3 1162 B16R2.2441 BrCCCOc1ccc2c(c1)cccn2 Amb17272079 [0,1,0,1,0,0|2,0,0]=4 1163 B16R2.2441 CCCCOc1cc2ccc[n]c2cc1 Amb19108435 [0,1,0,1,0,0|2,0,0]=4 1164 B16R2.2441 CNCCNc1ccc2ccccc2[n]1 Amb18313331 [0,1,0,1,0,0|2,0,0]=4 1165 B16R2.2441 COCCSc1ccc2ccccc2[n]1 Amb20800706 [0,1,0,1,0,0|1,1,0]=4 1166 B16R2.2441 ClCCCNc1ccc2ccccc2[n]1 Amb25791933 [0,1,0,1,0,0|2,0,0]=4 1167 B16R2.2441 ClCCCOc1ccc2c(c1)cccn2 Amb17245288 [0,1,0,1,0,0|2,0,0]=4 1168 B16R2.2441 NCCCCc1cc2ccccc2cc1 Amb18049792 [0,1,0,1,0,0|2,0,0]=4 1169 B16R2.2441 NCCCOc1cc2[n]cccc2cc1 Amb18355161 [0,1,0,1,0,0|2,0,0]=4 1170 B16R2.2441 NCCCOc1cc2c[n]ccc2cc1 Amb19107941 [0,1,0,1,0,0|2,0,0]=4 1171 B16R2.2441 NCCCOc1ccc2c(c1)cccc2 Amb1135799 [0,1,0,1,0,0|1,0,0]=3 1172 B16R2.2441 NNCCOc1ccc2c(c1)cccc2 Amb17402559 [0,1,0,1,0,0|2,0,0]=4 1173 B16R2.2441 NOCCOc1ccc2c(c1)cccc2 Amb17088333 [0,1,0,1,0,0|2,0,0]=4 1174 B16R2.2441 OCCCOc1ccc2c(c1)cccn2 Amb17105039 [0,1,0,1,0,0|2,0,0]=4 1175 B16R2.2441 ONCCOc1ccc2c(c1)cccc2 Amb17088459 [0,1,0,1,0,0|2,0,0]=4 1176 B16R2.2441 SCCCOc1ccc2c(c1)cccc2 Amb17243345 [0,1,0,1,0,0|1,0,0]=3 1177 B16R2.2441 SCCCOc1ccc2c(c1)cccn2 Amb17243779 [0,1,0,1,0,0|2,0,0]=4 1178 B16R2.2446 ClCC/1=NOC(=O)\C1=C/c2ccccc2 Amb16191826 [0,1,0,1,0,0|1,0,1]=4 1179 B16R2.2446 OCC1COC(=O)N1Cc2ccccc2 Amb25077254 [0,1,0,1,0,0|1,0,1]=4 1180 B16R2.2446 OC[C@H]1COC(=O)N1Cc2ccccc2 Amb24523369 [0,1,0,1,0,0|1,0,1]=4 1181 B16R2.3259 C[C@@H]1COCC(=O)N1Cc2ccccc2 Amb24581646 [0,1,0,1,0,0|1,0,1]=4 1182 B16R2.30013 C=CCON1C(=O)C=Cc2ccccc12 Amb22364566 [0,1,0,1,0,0|0,0,2]=4 1183 B16R2.30013 CCCOc1c2[n]cccc2ccc1Br Amb23003268 [0,1,0,1,0,0|2,0,0]=4 1184 B16R2.30013 CCCOc1c2[n]cccc2ccc1Cl Amb23003245 [0,1,0,1,0,0|2,0,0]=4 1185 B16R2.30013 CCCOc1c2[n]cccc2ccc1I Amb23003207 [0,1,0,1,0,0|2,0,0]=4 1186 B16R2.30013 CNCCc1c(O)ccc2ccccc12 Amb18940610 [0,1,0,1,0,0|1,0,1]=4 1187 B16R2.30013 Cc1ccc2ccccc2c1CNCC Amb18940581 [0,1,0,1,0,0|2,0,0]=4 1188 B16R2.30013 N#CCCN1C(=O)C=Cc2ccccc12 Amb24060066 [0,1,0,1,0,0|1,0,1]=4 1189 B16R2.30013 NCCCN1C(=O)C=Cc2ccccc12 Amb18563359 [0,1,0,1,0,0|1,0,0]=3 1190 B16R2.30013 NCCCN1C(=O)C=Nc2ccccc12 Amb18038055 [0,1,0,1,0,0|2,0,0]=4 1191 B16R2.30013 O=C1C=Cc2ccccc2N1CCCBr Amb24587078 [0,1,0,1,0,0|1,0,0]=3 1192 B16R2.44148 O=C(NCc1ccccc1)OC2CCC2 Amb25335799 [0,1,0,1,0,0|1,0,1]=4 1193 B16R2.44148 O=C(NCc1ccccc1)OC2CNC2 Amb24340999 [0,1,0,1,0,0|1,0,1]=4 1194 B16R2.44153 O=C(\C=C\c1ccccc1)NCC2CO2 Amb23557382 [0,1,0,1,0,0|1,0,0]=3 1195 B16R2.44153 O=C(\C=C\c1cccnc1)NCC2CC2 Amb10708671 [0,1,0,1,0,0|2,0,0]=4 1196 B16R2.19 CCC=1NC(=O)C=C(N1)c2ccccc2 Amb19090235 [0,1,0,1,0,0|1,0,1]=4 1197 B16R2.88 O=C(Cc1ccccc1)C2=CCCCO2 Amb24687319 [0,1,0,1,0,0|1,0,1]=4 1198 B16R2.1054 CCCCc1cc(Cl)c2ccccc2[n]1 Amb22497152 [0,1,0,1,0,0|2,0,0]=4 1199 B16R2.1054 CCCOc1cc(=O)n2c(n1)cccc2 Amb10553468 [0,1,0,1,0,0|2,0,0]=4 1200 B16R2.3896 O=C1CCCCC1C(=O)c2ccccc2 Amb1783552 [0,1,0,1,0,0|1,0,1]=4 1201 B16R2.3896 O=C1CCCCN1C(=O)c2ccccc2 Amb15690781 [0,1,0,1,0,0|2,0,0]=4 1202 B16R2.3896 O=C1CCCC[C-]1C(=O)c2ccccc2 Amb22463220 [0,1,0,1,0,0|1,0,1]=4 1203 B16R2.27712 C\C(=C/C(=O)NC1CC1)\c2ccccc2 Amb16797051 [0,1,0,1,0,0|1,0,0]=3 1204 B16R2.44545 Cc1cc(=S)[n](CCC)c2ccccc12 Amb24070481 [0,1,0,1,0,0|1,1,0]=4 1205 B16R2.2923 O=C1OCCCN1Cc2cccc(Br)c2 Amb25722681 [0,1,0,1,0,0|1,0,1]=4 1206 B16R2.3252 O=C1CCCCC(=C1)c2cc(Cl)ccc2 Amb25769715 [0,1,0,1,0,0|1,0,0]=3 1207 B16R2.3252 O=C1CCCCC(=C1)c2cc(F)ccc2 Amb25262007 [0,1,0,1,0,0|1,0,0]=3 1208 B16R2.11911 Brc1cccc(c1)\C=C/2\C(=NOC2=O)C Amb10779083 [0,1,0,1,0,0|1,0,1]=4 1209 B16R2.11911 CC/1=NOC(=O)\C1=C/c2cc(I)ccc2 Amb23546616 [0,1,0,1,0,0|1,0,1]=4 1210 B16R2.11911 CC/1=NOC(=O)\C1=C/c2cc(O)ccc2 Amb23546643 [0,1,0,1,0,0|1,0,1]=4 1211 B16R2.11911 Clc1cccc(c1)\C=C/2\C(=NOC2=O)C Amb1068789 [0,1,0,1,0,0|1,0,1]=4 1212 B16R2.11914 O=C(NC1CC1)\C=C\c2cccc(c2)Br Amb2442885 [0,1,0,1,0,0|1,0,0]=3 1213 B16R2.11914 O=C(NC1CC1)\C=C\c2cccc(c2)F Amb243908 [0,1,0,1,0,0|1,0,0]=3 1214 B16R2.11914 O=C(NC1CC1)\C=C\c2cccc(c2)N Amb17139868 [0,1,0,1,0,0|1,0,0]=3 1215 B16R2.30336 CCCOc1cc2[n]cc(N)cc2cc1 Amb23580256 [0,1,0,1,0,0|2,0,0]=4 1216 B16R2.30336 CCCOc1cc2ccc(Br)cc2cc1 Amb22728882 [0,1,0,1,0,0|1,0,0]=3 1217 B16R2.30336 CCCOc1cc2ccc(Cl)[n]c2cc1 Amb24667487 [0,1,0,1,0,0|2,0,0]=4 1218 B16R2.30336 NCCOc1ccc2c(c1)ccc(c2)Br Amb10610366 [0,1,0,1,0,0|2,0,0]=4 1219 B16R2.30336 Oc1cc2ccc(cc2cc1)OCCF Amb22447959 [0,1,0,1,0,0|2,0,0]=4 1220 B16R2.115192 CCCN1c2ccc(Cl)cc2C=CC1=O Amb22487475 [0,1,0,1,0,0|1,0,0]=3 1221 B16R2.115192 CCCN1c2ccc(F)cc2C=CC1=O Amb22441676 [0,1,0,1,0,0|1,0,0]=3 1222 B16R2.136484 O=C(C=Cc1cccc(Br)c1)C2CCC2 Amb22228964 [0,1,0,1,0,0|1,0,0]=3 1223 B16R2.1129 O=C/1CCCC\C1=C/c2ccc(Br)cc2 Amb23463152 [0,1,0,1,0,0|1,0,0]=3 1224 B16R2.1129 O=C/1CCCC\C1=C/c2ccc(Cl)cc2 Amb23526998 [0,1,0,1,0,0|1,0,0]=3 1225 B16R2.1129 O=C1OCCCN1Cc2ccc(Br)cc2 Amb25030429 [0,1,0,1,0,0|1,0,1]=4 1226 B16R2.1285 CCCOc1cc2cc(N)c[n]c2cc1 Amb23580246 [0,1,0,1,0,0|2,0,0]=4 1227 B16R2.1285 CCCOc1ccc2C=CC(=O)Oc2c1 Amb18012363 [0,1,0,1,0,0|2,0,0]=4 1228 B16R2.1285 CCCOc1ccc2c(c1)oc(=O)cc2 Amb1207259 [0,1,0,1,0,0|2,0,0]=4 1229 B16R2.11542 Cc1ccc(c[n]1)C=2CCCCC(=O)C2 Amb25837255 [0,1,0,1,0,0|2,0,0]=4 1230 B16R2.11542 O=C1C=C(NCCN1)c2ccc(F)cc2 Amb23451764 [0,1,0,1,0,0|2,0,0]=4 1231 B16R2.11542 O=C1CCCCC(=C1)c2ccc(Cl)cc2 Amb25832901 [0,1,0,1,0,0|1,0,0]=3 1232 B16R2.11573 CC/1=NOC(=O)\C1=C/c2ccc(Br)cc2 Amb23546612 [0,1,0,1,0,0|1,0,1]=4 1233 B16R2.11573 Cc1ccc(\C=C\2/C(=O)ON=C2C)cc1 Amb20030854 [0,1,0,1,0,0|1,0,1]=4 1234 B16R2.11573 Cc1ccc(cc1)\C=C\2/C(=NOC2=O)C Amb1785754 [0,1,0,1,0,0|1,0,1]=4 1235 B16R2.11573 Clc1ccc(cc1)\C=C/2\C(=NOC2=O)C Amb1816985 [0,1,0,1,0,0|1,0,1]=4 1236 B16R2.11573 Oc1ccc(cc1)\C=C\2/C(=NOC2=O)C Amb1821755 [0,1,0,1,0,0|1,0,1]=4 1237 B16R2.1056 CCCOc1[n]c2ccccc2[n]c1Cl Amb22476350 [0,1,0,1,0,0|2,0,0]=4 1238 B16R2.2128 C=CCOC(=O)c1cc2ccccc2[s]1 Amb21176738 [0,1,0,1,0,0|0,0,2]=4 1239 B16R2.2128 COCNC(=O)c1cc2ccccc2[nH]1 Amb22756205 [0,1,0,1,0,0|2,0,0]=4 1240 B16R2.2128 N#CCOC(=O)c1cc2c([nH]1)cccc2 Amb10330485 [0,1,0,1,0,0|1,0,1]=4 1241 B16R2.2128 NCCCC(=O)c1cc2ccccc2[nH]1 Amb18786809 [0,1,0,1,0,0|2,0,0]=4 1242 B16R2.2128 NCCCC(=O)c1cc2ccccc2o1 Amb18785935 [0,1,0,1,0,0|2,0,0]=4 1243 B16R2.2128 NCCNC(=O)c1cc2c([nH]1)cccc2 Amb1080077 [0,1,0,1,0,0|2,0,0]=4 1244 B16R2.2128 O=C(NCCCl)c1cc2ccccc2[s]1 Amb25118343 [0,1,0,1,0,0|2,0,0]=4 1245 B16R2.2128 OCCNC(=O)c1cc2c([nH]1)cccc2 Amb1933253 [0,1,0,1,0,0|2,0,0]=4 1246 B16R2.11299 CCOC1=C(c2ccccc2)C(=O)C1=O Amb22473496 [0,1,0,1,0,0|2,0,0]=4 1247 B16R2.27766 C\C(=C/c1ccccc1)\C(=O)NC2CC2 Amb16799063 [0,1,0,1,0,0|1,0,0]=3 1248 B16R2.27766 O=C(C(=O)NC1CC1)Cc2ccccc2 Amb17402667 [0,1,0,1,0,0|1,0,1]=4 1249 B16R2.27766 O=C(C(=O)NC1CC1)Nc2ccccc2 Amb1024621 [0,1,0,1,0,0|2,0,0]=4 1250 B16R2.44621 CC1=Cc2ccccc2N(CCN)C1=O Amb18559587 [0,1,0,1,0,0|2,0,0]=4 1251 B16R2.312 O=C/1OC(=O)CC\C1=C/c2ccccc2 Amb17471013 [0,1,0,1,0,0|0,0,1]=3 1252 B16R2.312 O=C/1OC(=O)CC\C1=C/c2ccncc2 Amb17471024 [0,1,0,1,0,0|1,0,1]=4 1253 B16R2.312 O=C1CC\C(=C/c2ccccn2)\C(=O)O1 Amb17471022 [0,1,0,1,0,0|1,0,1]=4 1254 B16R2.312 O=C1CC\C(=C/c2cccnc2)\C(=O)O1 Amb17471023 [0,1,0,1,0,0|1,0,1]=4 1255 B16R2.5347 BrCC(Oc1ccc2c(c1)cccc2)C Amb17271457 [0,1,0,1,0,0|2,0,0]=4 1256 B16R2.5347 CCC(Br)Cc1cc2ccccc2cc1 Amb18548932 [0,1,0,1,0,0|2,0,0]=4 1257 B16R2.5347 CCC(Cl)Cc1cc2ccccc2cc1 Amb24599925 [0,1,0,1,0,0|2,0,0]=4 1258 B16R2.5347 ClCC(Oc1ccc2c(c1)cccc2)C Amb17244663 [0,1,0,1,0,0|2,0,0]=4 1259 B16R2.767 CCCC(=O)c1cc2ccccc2cc1 Amb19067000 [0,1,0,1,0,0|2,0,0]=4 1260 B16R2.767 CCCC(=O)c1ccc2ccccc2[n]1 Amb25790802 [0,1,0,1,0,0|2,0,0]=4 1261 B16R2.767 CCCC(O)c1cc2ccccc2cc1 Amb19086451 [0,1,0,1,0,0|2,0,0]=4 1262 B16R2.4062 O=C1OCCCN1Cc2ccccc2Br Amb24407644 [0,1,0,1,0,0|1,0,1]=4 1263 B16R2.14422 Cc1ccccc1C=2CCCCC(=O)C2 Amb25830925 [0,1,0,1,0,0|1,0,0]=3 1264 B16R2.14422 Nc1[n]cccc1C=2CCCCC(=O)C2 Amb25758541 [0,1,0,1,0,0|2,0,0]=4 1265 B16R2.14422 O=C1CCCCC(=C1)c2ccccc2F Amb25264245 [0,1,0,1,0,0|1,0,0]=3 1266 B16R2.14690 O=C(C=Cc1ccccc1Br)NC2CC2 Amb22288975 [0,1,0,1,0,0|1,0,0]=3 1267 B16R2.14690 O=C(NC1CC1)\C=C\c2ccccc2F Amb1086746 [0,1,0,1,0,0|1,0,0]=3 1268 B16R2.163604 CCCOc1cc2C=CNC(=O)c2cc1 Amb18034942 [0,1,0,1,0,0|2,0,0]=4 1269 B16R2.163604 CCCOc1ccc2c(c1)ccnc2Cl Amb17216946 [0,1,0,1,0,0|2,0,0]=4 1270 B16R2.163604 CCCOc1ccc2c(c1)ccnc2N Amb17216967 [0,1,0,1,0,0|2,0,0]=4 1271 B16R2.172 O\N=C\1/CCCC/C1=C\c2ccccc2 Amb21989830 [0,1,0,1,0,0|1,0,1]=4 1272 B16R2.2942 CCCNC1=CSc2ccccc2C1=O Amb20513999 [0,1,0,1,0,0|2,0,0]=4 1273 B16R2.2942 CCCOc1ccc2ccccc2c1Br Amb24441351 [0,1,0,1,0,0|1,0,0]=3 1274 B16R2.2942 CCCOc1ccc2ccccc2c1N Amb18054415 [0,1,0,1,0,0|1,0,0]=3 1275 B16R2.2942 COCOc1ccc2ccccc2c1Br Amb22269588 [0,1,0,1,0,0|2,0,0]=4 1276 B16R2.2942 OCCOc1ccc2c(c1Br)cccc2 Amb10844852 [0,1,0,1,0,0|2,0,0]=4 1277 B16R2.477 CC(Br)CCc1cc2ccccc2cc1 Amb24625117 [0,1,0,1,0,0|2,0,0]=4 1278 B16R2.477 CC(C)COc1cc2ccccc2cc1 Amb22002684 [0,1,0,1,0,0|1,0,0]=3 1279 B16R2.477 CC(Cl)CCc1ccc2ccccc2[n]1 Amb24575676 [0,1,0,1,0,0|2,0,0]=4 1280 B16R2.477 CC(Cl)COc1cc2ccccc2cc1 Amb22339955 [0,1,0,1,0,0|1,0,0]=3 1281 B16R2.477 CC(O)COc1cc2ccccc2cc1 Amb22339930 [0,1,0,1,0,0|1,0,0]=3 1282 B16R2.477 C[C@@H](N)COc1cc2ccc[n]c2cc1 Amb18538581 [0,1,0,1,0,0|2,0,0]=4 1283 B16R2.477 C[C@@H](N)COc1cc2ccccc2cc1 Amb18538578 [0,1,0,1,0,0|1,0,0]=3 1284 B16R2.12599 CC1(C)COC(=N1)\C=C\c2ccccc2 Amb10573093 [0,1,0,1,0,0|1,0,0]=3 1285 B16R2.322173 O=S(=O)(\C=C\c1ccccc1)NC2CC2 Amb24273880 [0,1,0,1,0,0|2,0,0]=4 1286 B16R3.335 O=C1C=C2C(CCc3ccccc32)N1 Amb24374842 [0,0,0,2,0,0|1,0,0]=3 1287 B16R3.335 O=C1C=C2C(CCc3ccccc32)O1 Amb24725400 [0,0,0,2,0,0|0,0,0]=2 1288 B16R3.335 O=C1C=C2C(CNc3ccccc23)O1 Amb24498180 [0,0,0,2,0,0|1,0,0]=3 1289 B16R3.335 O=C1CC2CNc3ccccc3C2=C1 Amb25288123 [0,0,0,2,0,0|2,0,0]=4 1290 B16R3.335 O=C1NC2C(CCc3ccccc32)O1 Amb25772918 [0,0,0,2,0,0|1,0,1]=4 1291 B16R3.335 O=C1N[C@@H]2[C@@H](CCc3ccccc32)O1 Amb24675435 [0,0,0,2,0,0|1,0,1]=4 1292 B16R3.335 O=C1N[C@@H]2[C@H](CCc3ccccc32)O1 Amb24622511 [0,0,0,2,0,0|1,0,1]=4 1293 B16R3.1720 C1CCNc2cc3ccccc3cc21 Amb25771744 [0,0,0,2,0,0|2,0,0]=4 1294 B16R3.1720 C1CCOc2cc3ccccc3[n]c21 Amb24552347 [0,0,0,2,0,0|2,0,0]=4 1295 B16R3.1720 C1CCc2c(C1)nc3c(c2)cccc3 Amb2413894 [0,0,0,2,0,0|2,0,0]=4 1296 B16R3.1720 C1COc2[n]c3ccccc3cc2N1 Amb25664293 [0,0,0,2,0,0|2,0,0]=4 1297 B16R3.1720 C1COc2cc3ccccc3cc2N1 Amb25186345 [0,0,0,2,0,0|2,0,0]=4 1298 B16R3.3329 O=C1CCC[n]2c3ccccc3cc21 Amb18822497 [0,0,0,2,0,0|2,0,0]=4 1299 B16R3.3329 O=C1NCC[n]2c3ccccc3cc21 Amb22002305 [0,0,0,2,0,0|2,0,0]=4 1300 B16R3.17392 NC1COc2ccc3ccccc3c21 Amb24423968 [0,0,0,2,0,0|2,0,0]=4 1301 B16R3.17392 N[C@@H]1COc2ccc3ccccc3c21 Amb25831050 [0,0,0,2,0,0|2,0,0]=4 1302 B16R3.17392 N[C@H]1COc2ccc3ccccc3c21 Amb24394762 [0,0,0,2,0,0|2,0,0]=4 1303 B16R3.9 C1CCNc2ccc3ccccc3c21 Amb24636791 [0,0,0,2,0,0|2,0,0]=4 1304 B16R3.9 C1CCOc2ccc3[n]cccc3c21 Amb23448892 [0,0,0,2,0,0|2,0,0]=4 1305 B16R3.17428 N[C@@H]1COc2cc3ccccc3cc21 Amb25814518 [0,0,0,2,0,0|2,0,0]=4 1306 B16R3.17428 O=C1NCC2Nc3ccccc3C=C12 Amb24090946 [0,0,0,2,0,0|2,0,0]=4 1307 B16R3.17428 O=C1OCC2Cc3ccccc3CN12 Amb22643151 [0,0,0,2,0,0|1,0,1]=4 1308 B16R3.17428 O=C1OCc2[n]c3ccccc3cc21 Amb24081818 [0,0,0,2,0,0|1,0,1]=4 1309 B16R3.17428 OC1COc2[n]c3ccccc3cc21 Amb24581762 [0,0,0,2,0,0|2,0,0]=4 1310 B16R3.152 NC1CN2C(=O)C=Cc3cccc1c23 Amb25193339 [0,0,0,2,0,0|2,0,0]=4 1311 B16R3.152 N[C@@H]1CN2C(=O)C=Cc3cccc1c23 Amb25266103 [0,0,0,2,0,0|2,0,0]=4 1312 B16R3.153 Nc1ccc2cccc3CCCc1c32 Amb24498161 [0,0,0,2,0,0|2,0,0]=4 1313 B16R3.153 Oc1ccc2cccc3CCCc1c32 Amb25807543 [0,0,0,2,0,0|1,0,1]=4 1314 B12R1.32 BrCCC(=O)Nc1ccccc1 Amb16191990 [1,0,0,0,1,0|2,0,0]=4 1315 B12R1.32 CCCC(=N)Nc1ccccc1 Amb24096810 [1,0,0,0,1,0|2,0,0]=4 1316 B12R1.32 CCC\C(\I)=C/c1ccccc1 Amb22546627 [1,0,0,0,1,0|1,0,0]=3 1317 B12R1.32 CCNC(=O)Nc1ccccc1 Amb1233665 [1,0,0,0,1,0|2,0,0]=4 1318 B12R1.32 CCNC(=O)Sc1ccccc1 Amb25827115 [1,0,0,0,1,0|2,0,0]=4 1319 B12R1.32 CCO/C(C)=N/c1ccccc1 Amb17939699 [1,0,0,0,1,0|2,0,0]=4 1320 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [1,0,0,0,1,0|1,0,1]=4 1321 B12R1.32 CCOC(=N)Nc1ccccc1 Amb24496991 [1,0,0,0,1,0|2,0,0]=4 1322 B12R1.32 CCOC(=O)C=C1C=COC=C1 Amb25848212 [1,0,0,0,1,0|1,0,0]=3 1323 B12R1.32 CCOC(=O)Cc1c[n]ccc1 Amb22478803 [1,0,0,0,1,0|1,0,1]=4 1324 B12R1.32 CCOC(=O)Cc1cc[n]cc1 Amb20621993 [1,0,0,0,1,0|1,0,1]=4 1325 B12R1.32 CCOC(=O)N[n+]1ccccc1 Amb10560832 [1,0,0,0,1,0|2,0,0]=4 1326 B12R1.32 CCSC(=O)Nc1ccccc1 Amb24310273 [1,0,0,0,1,0|1,1,0]=4 1327 B12R1.32 CNC\C(=C\c1ccccc1)\C Amb17100030 [1,0,0,0,1,0|2,0,0]=4 1328 B12R1.32 CSCC(=O)Nc1ccccc1 Amb2373904 [1,0,0,0,1,0|2,0,0]=4 1329 B12R1.32 C[SiH2]OC(=O)Nc1ccccc1 Amb24682546 [1,0,0,0,1,0|1,1,0]=4 1330 B12R1.32 C\C(\CCBr)=C/c1ccccc1 Amb18063581 [1,0,0,0,1,0|2,0,0]=4 1331 B12R1.32 C\C(\CCN)=C/c1ccccc1 Amb18063553 [1,0,0,0,1,0|2,0,0]=4 1332 B12R1.32 C\C(\CCO)=C\c1ccccc1 Amb24576953 [1,0,0,0,1,0|2,0,0]=4 1333 B12R1.32 ClCCC(=O)Oc1ccccc1 Amb16230794 [1,0,0,0,1,0|2,0,0]=4 1334 B12R1.32 NCCC(=O)Nc1ccccc1 Amb1125528 [1,0,0,0,1,0|2,0,0]=4 1335 B12R1.32 NCCC(=O)Nc1ccccc1 Amb15740909 [1,0,0,0,1,0|2,0,0]=4 1336 B12R1.32 NCCC(=O)Oc1ccccc1 Amb17334633 [1,0,0,0,1,0|2,0,0]=4 1337 B12R1.32 O=C(CCF)Nc1ccccc1 Amb25276540 [1,0,0,0,1,0|2,0,0]=4 1338 B12R1.32 O=C(CCI)Nc1ccccc1 Amb23447340 [1,0,0,0,1,0|2,0,0]=4 1339 B12R1.32 SCCC(=O)Nc1ccccc1 Amb17305724 [1,0,0,0,1,0|2,0,0]=4 1340 B12R1.51 CCNC(=O)/C=C/c1ccco1 Amb17869798 [1,0,0,0,1,0|2,0,0]=4 1341 B12R1.51 CCNC(=O)/C=C/c1cccs1 Amb17786755 [1,0,0,0,1,0|2,0,0]=4 1342 B12R1.51 CCNC(=O)\C=C\c1c[nH]cc1 Amb24397725 [1,0,0,0,1,0|2,0,0]=4 1343 B12R1.51 CCNC(=O)\C=C\c1cc[s]c1 Amb25345688 [1,0,0,0,1,0|2,0,0]=4 1344 B12R1.51 CCOC(=O)C=Cc1c[nH]c[nH+]1 Amb22452697 [1,0,0,0,1,0|2,0,0]=4 1345 B12R1.51 CCOC(=O)\C=C\c1cc[s]c1 Amb22388596 [1,0,0,0,1,0|1,0,0]=3 1346 B12R1.51 CCOC(=O)\C=C\c1ccc[s]1 Amb21858181 [1,0,0,0,1,0|1,0,0]=3 1347 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [1,0,0,0,1,0|1,0,0]=3 1348 B12R1.30 BrCCCC(=O)c1ccccc1 Amb17247624 [0,0,0,0,2,0|2,0,0]=4 1349 B12R1.30 C#CCOC(=O)c1ccccc1 Amb22001698 [0,0,0,0,2,0|0,0,2]=4 1350 B12R1.30 CCC/N=C(\C)c1ccccc1 Amb17779516 [0,0,0,0,2,0|2,0,0]=4 1351 B12R1.30 CCCCC(=O)c1cccnc1 Amb10607964 [0,0,0,0,2,0|2,0,0]=4 1352 B12R1.30 CCCCC(=O)c1ccncc1 Amb10573758 [0,0,0,0,2,0|2,0,0]=4 1353 B12R1.30 CCCNC(=N)c1ccccc1 Amb23447119 [0,0,0,0,2,0|2,0,0]=4 1354 B12R1.30 CCCNC(=S)c1ccccc1 Amb25827093 [0,0,0,0,2,0|1,1,0]=4 1355 B12R1.30 CCCOC(=O)c1c[n]cc[n]1 Amb18801005 [0,0,0,0,2,0|2,0,0]=4 1356 B12R1.30 CCCOC(=O)c1cccnc1 Amb1958081 [0,0,0,0,2,0|1,0,0]=3 1357 B12R1.30 CCC\N=C(\Cl)/c1ccccc1 Amb25142394 [0,0,0,0,2,0|2,0,0]=4 1358 B12R1.30 CCONC(=O)c1ccccc1 Amb10572541 [0,0,0,0,2,0|2,0,0]=4 1359 B12R1.30 CC\C=C/C(=O)c1ccccc1 Amb24722785 [0,0,0,0,2,0|1,0,1]=4 1360 B12R1.30 CC\C=C\C(=O)c1ccccc1 Amb24532703 [0,0,0,0,2,0|1,0,1]=4 1361 B12R1.30 CNCCC(=O)c1ccccc1 Amb11032366 [0,0,0,0,2,0|2,0,0]=4 1362 B12R1.30 COCCC(=O)c1ccccc1 Amb10602329 [0,0,0,0,2,0|2,0,0]=4 1363 B12R1.30 ClCCCC(=O)c1ccccc1 Amb1229841 [0,0,0,0,2,0|2,0,0]=4 1364 B12R1.30 ClCCNC(=O)c1ccccc1 Amb2414312 [0,0,0,0,2,0|2,0,0]=4 1365 B12R1.30 ICCOC(=O)c1ccccc1 Amb16233230 [0,0,0,0,2,0|1,0,0]=3 1366 B12R1.30 N=C(OCCO)c1ccccc1 Amb22465986 [0,0,0,0,2,0|2,0,0]=4 1367 B12R1.30 NCCCC(=O)c1ccccc1 Amb18623671 [0,0,0,0,2,0|2,0,0]=4 1368 B12R1.30 NCCOC(=O)c1ccccc1 Amb10807731 [0,0,0,0,2,0|1,0,0]=3 1369 B12R1.30 NCCSC(=O)c1ccccc1 Amb21618899 [0,0,0,0,2,0|1,1,0]=4 1370 B12R1.30 O=C(NCCF)c1ccccc1 Amb25139529 [0,0,0,0,2,0|2,0,0]=4 1371 B12R1.30 O=C(NCCI)c1ccccc1 Amb22753771 [0,0,0,0,2,0|2,0,0]=4 1372 B12R1.30 O=C(OCC=O)c1ccccc1 Amb18645965 [0,0,0,0,2,0|1,0,1]=4 1373 B12R1.30 OCCCC(=O)c1ccccc1 Amb17334609 [0,0,0,0,2,0|2,0,0]=4 1374 B12R1.30 OCCOC(=O)c1ccccc1 Amb1110468 [0,0,0,0,2,0|1,0,0]=3 1375 B12R1.53 CCCOC(=O)Nc1ccco1 Amb25132113 [0,0,0,0,2,0|2,0,0]=4 1376 B16R1.1465 CCCCC(=O)\C=C/NCc1ccccc1 Amb25694700 [0,0,0,0,0,2|1,0,0]=3