0 B13R1.337 CC(=N)NC\C=C\c1ccccc1 Amb24366027 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.337 CC(=O)/C=C\NCc1ccccc1 Amb17778144 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.337 CC(=O)C#CC#Cc1ccccc1 Amb17594204 [0,0,0,0,0,0|1,0,3]=4 3 B13R1.337 CC(=O)C#CCCc1ccccc1 Amb25759513 [0,0,0,0,0,0|1,0,3]=4 4 B13R1.337 CC(=O)C#CCOc1ccccc1 Amb24491408 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.337 CC(=O)C#C\C=C\c1ccccc1 Amb10567237 [0,0,0,0,0,0|1,0,1]=2 6 B13R1.337 CC(=O)C=CC=Cc1ccccc1 Amb24066241 [0,0,0,0,0,0|1,0,1]=2 7 B13R1.337 CC(=O)CC#CCc1ccccc1 Amb24416732 [0,0,0,0,0,0|1,0,3]=4 8 B13R1.337 CC(=O)CCC#Cc1ccccc1 Amb18802903 [0,0,0,0,0,0|1,0,2]=3 9 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [0,0,0,0,0,0|2,0,1]=3 10 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [0,0,0,0,0,0|2,0,1]=3 11 B13R1.337 CC(=O)NCC#Cc1ccccc1 Amb25119168 [0,0,0,0,0,0|1,0,2]=3 12 B13R1.337 CC(=O)NCCNc1ccc[n]c1 Amb18270224 [0,0,0,0,0,0|3,0,1]=4 13 B13R1.337 CC(=O)NCCNc1ccccc1 Amb18933018 [0,0,0,0,0,0|2,0,1]=3 14 B13R1.337 CC(=O)NCCOc1ccccc1 Amb22524794 [0,0,0,0,0,0|2,0,1]=3 15 B13R1.337 CC(=O)NCCOc1cccnc1 Amb16229587 [0,0,0,0,0,0|3,0,1]=4 16 B13R1.337 CC(=O)NCCSc1cc[n]cc1 Amb24073078 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.337 CC(=O)NCCSc1ccccc1 Amb15740326 [0,0,0,0,0,0|2,0,1]=3 18 B13R1.337 CC(=O)NCNCc1ccccc1 Amb24728285 [0,0,0,0,0,0|2,0,1]=3 19 B13R1.337 CC(=O)NC\C=C\c1ccccc1 Amb24452225 [0,0,0,0,0,0|1,0,0]=1 20 B13R1.337 CC(=O)OCCCc1ccc[n]c1 Amb24094205 [0,0,0,0,0,0|1,0,2]=3 21 B13R1.337 CC(=O)OCCOc1ccccc1 Amb10560141 [0,0,0,0,0,0|1,0,1]=2 22 B13R1.337 CC(=O)ONC=Nc1c[n]c[n]c1 Amb24098254 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.337 CC(=O)O\N=C\Nc1c[n]cc[n]1 Amb25047431 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.337 CC(=O)O\N=C\Nc1cc[n]c[n]1 Amb25192032 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.337 CC(=O)SCNCc1ccccc1 Amb25858716 [0,0,0,0,0,0|1,1,1]=3 26 B13R1.337 CC(=O)\C=C/C=C/c1ccccc1 Amb25318843 [0,0,0,0,0,0|1,0,1]=2 27 B13R1.337 CC(=O)\C=C\C#Cc1ccccc1 Amb17594260 [0,0,0,0,0,0|1,0,3]=4 28 B13R1.337 CC(=O)\C=C\C=C/c1ccccc1 Amb24645444 [0,0,0,0,0,0|1,0,1]=2 29 B13R1.337 CC(=O)\C=C\C=Cc1cc[n]cc1 Amb25160795 [0,0,0,0,0,0|2,0,1]=3 30 B13R1.337 CC(=O)\C=C\NCc1ccccc1 Amb25303594 [0,0,0,0,0,0|2,0,2]=4 31 B13R1.337 CC(=O)\C=C\OCc1ccccc1 Amb25370872 [0,0,0,0,0,0|2,0,2]=4 32 B13R1.337 CC(=O)\C=N\NCc1ccccc1 Amb25767927 [0,0,0,0,0,0|3,0,1]=4 33 B13R1.337 CC(=O)\C=N\OCc1ccccc1 Amb25735259 [0,0,0,0,0,0|3,0,1]=4 34 B13R1.337 CC(Br)\C=C\C=Cc1ccccc1 Amb25691316 [0,0,0,0,0,0|2,0,2]=4 35 B13R1.337 CC(C)=CCOCc1ccccc1 Amb25045065 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.337 CC(C)NC\C=C\c1ccccc1 Amb19890403 [0,0,0,0,0,0|2,0,1]=3 37 B13R1.337 CC(N)\C=C\C=Cc1ccccc1 Amb24745333 [0,0,0,0,0,0|2,0,2]=4 38 B13R1.337 CC(NC\C=C\c1ccccc1)C Amb2118507 [0,0,0,0,0,0|2,0,1]=3 39 B13R1.337 CC(O)\C=C\C=Cc1ccccc1 Amb25078216 [0,0,0,0,0,0|1,0,3]=4 40 B13R1.337 CN(C)\N=C\C=Cc1ccccc1 Amb24335040 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.337 C[C@H](O)\C=C\C=Cc1ccccc1 Amb25346411 [0,0,0,0,0,0|1,0,3]=4 42 B13R1.337 C\C(=C/CNCc1ccccc1)\Cl Amb1811425 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.337 ClC(=O)CCCSc1ccccc1 Amb17143638 [0,0,0,0,0,0|3,0,1]=4 44 B13R1.337 ClC(=O)\C=C\C=C\c1ccccc1 Amb17143115 [0,0,0,0,0,0|2,0,1]=3 45 B13R1.337 NC(=N)NC\C=C\c1ccccc1 Amb24571945 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.337 NC(=N)SC\C=C/c1ccccc1 Amb23556552 [0,0,0,0,0,0|2,1,0]=3 47 B13R1.337 NC(=O)C=C\C=C\c1ccc[n]c1 Amb24536279 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.337 NC(=O)CCNCc1ccccc1 Amb1223227 [0,0,0,0,0,0|3,0,1]=4 49 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.337 NC(=O)N/N=C/Cc1ccccc1 Amb17673737 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [0,0,0,0,0,0|2,0,2]=4 52 B13R1.337 NC(=O)NC\C=C\c1ccccc1 Amb24407866 [0,0,0,0,0,0|2,0,0]=2 53 B13R1.337 OC(=O)C#C\C=C\c1ccccc1 Amb25363201 [0,0,0,0,0,0|2,0,1]=3 54 B13R1.337 OC(=O)CCCNc1ccccc1 Amb10189157 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.337 OC(=O)CCCOc1ccccc1 Amb1233059 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.337 OC(=O)CCCSc1ccccc1 Amb1105630 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.337 OC(=O)CCNCc1ccccc1 Amb1207218 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.337 OC(=O)CCSCc1ccccc1 Amb1132307 [0,0,0,0,0,0|3,0,1]=4 59 B13R1.337 OC(=O)CC\C=C\c1ccccc1 Amb17233184 [0,0,0,0,0,0|2,0,0]=2 60 B13R1.337 OS(=O)OCNCc1ccccc1 Amb17595338 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [1,0,0,0,0,0|1,0,1]=3 62 B12R1.8 CCCC\C=C\c1cccc[n]1 Amb19148732 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.8 CCCC\N=C\c1ccccc1 Amb20248424 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.8 CCCN\C=C\c1ccccc1 Amb24565827 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.8 CCOCC#Cc1ccccc1 Amb24663302 [1,0,0,0,0,0|0,0,3]=4 66 B12R1.8 CCOCCCc1ccccc1 Amb24063530 [1,0,0,0,0,0|0,0,3]=4 67 B12R1.8 CCO\N=C\Nc1ccccc1 Amb25696637 [1,0,0,0,0,0|2,0,1]=4 68 B12R1.8 CNCC\C=C\c1c[n]ccc1 Amb22369962 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.8 CNCC\C=C\c1cccnc1 Amb17617598 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.8 CN\N=C\C=Cc1ccccc1 Amb25807249 [1,0,0,0,0,0|2,0,1]=4 71 B12R1.8 C\C=C\CNCc1ccccc1 Amb18645560 [1,0,0,0,0,0|2,0,1]=4 72 B12R1.8 N#CCC\C=C\c1ccccc1 Amb18644947 [1,0,0,0,0,0|2,0,1]=4 73 B12R1.8 N#CNC\C=C\c1ccccc1 Amb25840311 [1,0,0,0,0,0|2,0,1]=4 74 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [1,0,0,0,0,0|2,0,1]=4 75 B12R1.8 NOCC\C=C\c1ccccc1 Amb18563583 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [1,0,0,0,0,0|1,0,2]=4 77 B12R1.8 O=CCCCOc1ccccc1 Amb18798283 [1,0,0,0,0,0|2,0,1]=4 78 B12R1.8 O=CNCNCc1ccccc1 Amb24532665 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.8 O=CNCOCc1ccccc1 Amb24552397 [1,0,0,0,0,0|2,0,1]=4 80 B12R1.8 O=CNC\C=C\c1ccccc1 Amb25249766 [1,0,0,0,0,0|1,0,0]=2 81 B12R1.8 O=COCCCc1ccccc1 Amb22229401 [1,0,0,0,0,0|0,0,2]=3 82 B12R1.8 O=C\C=C\C=C/c1ccccc1 Amb24453384 [1,0,0,0,0,0|1,0,1]=3 83 B12R1.8 O=C\C=C\C=C\c1cc[n]cc1 Amb25366261 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.8 O=C\C=C\C=C\c1ccccc1 Amb17593956 [1,0,0,0,0,0|1,0,1]=3 85 B12R1.8 O=C\C=C\C=Cc1cccc[n]1 Amb24670346 [1,0,0,0,0,0|2,0,1]=4 86 B12R1.8 O=C\C=C\N=C\c1ccccc1 Amb25827583 [1,0,0,0,0,0|2,0,1]=4 87 B12R1.8 O=C\C=C\N=Cc1ccccc1 Amb24741714 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.8 [N-]=[N+]=NC\C=C\c1ccccc1 Amb18787840 [1,0,0,0,0,0|3,0,0]=4 89 B14R1.148 CC(=O)NCCNc1cccc(Cl)c1 Amb18270431 [0,1,0,0,0,0|2,0,1]=4 90 B14R1.148 CC(=O)NCCNc1cccc(F)c1 Amb18933375 [0,1,0,0,0,0|2,0,1]=4 91 B14R1.148 CC(=O)NCCOc1cccc(c1)Br Amb16229678 [0,1,0,0,0,0|2,0,1]=4 92 B14R1.148 CC(=O)OCCOc1cccc(O)c1 Amb24089823 [0,1,0,0,0,0|1,0,1]=3 93 B14R1.148 CC(=O)\C=C\C=Cc1cccc(Cl)c1 Amb24439309 [0,1,0,0,0,0|1,0,1]=3 94 B14R1.148 Cc1cccc(c1)C=C\C=C\C(C)=O Amb25190859 [0,1,0,0,0,0|1,0,1]=3 95 B14R1.148 Cc1cccc(c1)NCCNC(C)=O Amb24423981 [0,1,0,0,0,0|2,0,1]=4 96 B14R1.148 Cc1cccc(c1)OCCNC(C)=O Amb19706104 [0,1,0,0,0,0|2,0,1]=4 97 B14R1.148 Nc1cc(\C=C\C=CC(O)=O)ccc1 Amb24594129 [0,1,0,0,0,0|2,0,1]=4 98 B14R1.148 Nc1cc(\C=C\C=C\C(O)=O)ccc1 Amb25241219 [0,1,0,0,0,0|2,0,1]=4 99 B14R1.148 OC(=O)CC\C=C\c1cccc(c1)C Amb17234914 [0,1,0,0,0,0|2,0,0]=3 100 B14R1.148 OC(=O)CC\C=C\c1cccc(c1)Cl Amb17240748 [0,1,0,0,0,0|2,0,0]=3 101 B14R1.148 OC(=O)CC\C=C\c1cccc(c1)F Amb17235891 [0,1,0,0,0,0|2,0,0]=3 102 B14R1.148 OC(=O)\C=C\C=C\c1cccc(F)c1 Amb24652447 [0,1,0,0,0,0|2,0,1]=4 103 B14R1.148 OC(=O)\C=C\C=Cc1cccc(Br)c1 Amb24535027 [0,1,0,0,0,0|2,0,1]=4 104 B14R1.148 OC(=O)\C=C\C=Cc1cccc(F)c1 Amb25192959 [0,1,0,0,0,0|2,0,1]=4 105 B14R1.159 CC(=O)NCCNc1ccccc1Br Amb25717140 [0,1,0,0,0,0|2,0,1]=4 106 B14R1.159 CC(=O)NCCNc1ccccc1Cl Amb18270051 [0,1,0,0,0,0|2,0,1]=4 107 B14R1.159 CC(=O)NCCNc1ccccc1F Amb18933376 [0,1,0,0,0,0|2,0,1]=4 108 B14R1.159 CC(=O)NCCNc1ccccc1I Amb24371473 [0,1,0,0,0,0|2,0,1]=4 109 B14R1.159 CC(=O)NCCOc1ccccc1N Amb17131704 [0,1,0,0,0,0|2,0,1]=4 110 B14R1.159 CC(=O)OCC#Cc1ccccc1O Amb25142632 [0,1,0,0,0,0|0,0,2]=3 111 B14R1.159 CC(=O)\C=C\C=Cc1ccccc1Br Amb25711471 [0,1,0,0,0,0|1,0,1]=3 112 B14R1.159 Cc1ccccc1C=C\C=C\C(C)=O Amb24535161 [0,1,0,0,0,0|1,0,1]=3 113 B14R1.159 Cc1ccccc1OCCNC(C)=O Amb23166893 [0,1,0,0,0,0|2,0,1]=4 114 B14R1.159 NC(=O)C=C\C=C\c1ccccc1O Amb25211015 [0,1,0,0,0,0|2,0,1]=4 115 B14R1.159 Nc1ccccc1\C=C\C=C\C(O)=O Amb25672523 [0,1,0,0,0,0|2,0,1]=4 116 B14R1.159 OC(=O)CC\C=C\c1ccccc1Cl Amb17240745 [0,1,0,0,0,0|2,0,0]=3 117 B14R1.159 OC(=O)CC\C=C\c1ccccc1F Amb17235888 [0,1,0,0,0,0|2,0,0]=3 118 B14R1.159 OC(=O)\C=C\C=Cc1ccccc1Br Amb24507304 [0,1,0,0,0,0|2,0,1]=4 119 B14R1.159 Oc1ccccc1C=C\C=C\C(O)=O Amb24540816 [0,1,0,0,0,0|2,0,1]=4 120 B14R1.420 C=C(\C=N\NC(N)=O)c1ccccc1 Amb25279419 [0,1,0,0,0,0|3,0,0]=4 121 B14R1.420 CC(=C\C=C\C(O)=O)c1ccccc1 Amb25834646 [0,1,0,0,0,0|2,0,1]=4 122 B14R1.420 CC(=O)CCNC(=O)c1cccnc1 Amb17102919 [0,1,0,0,0,0|3,0,0]=4 123 B14R1.420 CC(=O)NCNC(=O)c1ccccc1 Amb24336454 [0,1,0,0,0,0|2,0,0]=3 124 B14R1.420 CC(=O)N\C=C\C(=O)c1ccccc1 Amb25782645 [0,1,0,0,0,0|1,0,1]=3 125 B14R1.420 CC(=O)N\N=C/C(=O)c1ccccc1 Amb24072873 [0,1,0,0,0,0|2,0,0]=3 126 B14R1.420 CC(=O)N\N=C\C(=O)c1ccccc1 Amb25098596 [0,1,0,0,0,0|2,0,0]=3 127 B14R1.420 CC(=O)\C=C/NC(=O)c1ccccc1 Amb24629752 [0,1,0,0,0,0|2,0,1]=4 128 B14R1.420 CC(=O)\C=C\NC(=O)c1ccccc1 Amb24072849 [0,1,0,0,0,0|2,0,1]=4 129 B14R1.420 CC(C)=CCOC(=O)c1ccccc1 Amb22230253 [0,1,0,0,0,0|3,0,0]=4 130 B14R1.420 C\C(=C/CCC(=O)O)\c1ccccc1 Amb17234905 [0,1,0,0,0,0|2,0,0]=3 131 B14R1.420 C\C(=C\CNC(C)=O)\c1ccccc1 Amb25315136 [0,1,0,0,0,0|1,0,0]=2 132 B14R1.420 NC(=O)\C=C\C=C(/Cl)\c1ccccc1 Amb24399382 [0,1,0,0,0,0|2,0,1]=4 133 B14R1.420 O=C(NCNC(=O)Cl)c1ccccc1 Amb24677957 [0,1,0,0,0,0|3,0,0]=4 134 B14R1.420 O=C(c1ccccc1)NCCC(=O)C Amb10562812 [0,1,0,0,0,0|2,0,0]=3 135 B14R1.420 O=C(c1ccccc1)NCCC(=O)N Amb2117367 [0,1,0,0,0,0|3,0,0]=4 136 B14R1.420 O=C(c1ccccc1)NCCC(=O)O Amb1204269 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.423 CC(=C)CCC(=O)Nc1ccccc1 Amb24434914 [0,1,0,0,0,0|3,0,0]=4 138 B14R1.423 CC(=O)CCC(=O)Nc1cc[n]cc1 Amb25322025 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.423 CC(=O)COC(=O)Cc1ccccc1 Amb24084925 [0,1,0,0,0,0|2,0,1]=4 140 B14R1.423 CC(=O)NCC(=O)Nc1c[n]ccc1 Amb25082691 [0,1,0,0,0,0|3,0,0]=4 141 B14R1.423 CC(=O)O\N=C(/N)\Cc1ccccc1 Amb23247777 [0,1,0,0,0,0|1,0,1]=3 142 B14R1.423 CC(C)=CCC(=O)Nc1ccccc1 Amb24342897 [0,1,0,0,0,0|3,0,0]=4 143 B14R1.423 CN(Cc1ccccc1)CCC(=O)C Amb17401563 [0,1,0,0,0,0|2,0,1]=4 144 B14R1.423 C\C(=C/c1ccccc1)\C=C\C(=O)N Amb17143047 [0,1,0,0,0,0|2,0,1]=4 145 B14R1.423 C\C(=C\c1ccccc1)\C=CC(=O)Cl Amb24572859 [0,1,0,0,0,0|2,0,1]=4 146 B14R1.423 C\C(=C\c1ccccc1)\C=CC(N)=O Amb25260950 [0,1,0,0,0,0|2,0,1]=4 147 B14R1.423 C\C(=C\c1ccccc1)\C=C\C(=O)Cl Amb25041060 [0,1,0,0,0,0|2,0,1]=4 148 B14R1.423 C\C(\CNC(C)=O)=C/c1ccccc1 Amb24627853 [0,1,0,0,0,0|1,0,0]=2 149 B14R1.423 C\C(\CNC(C)C)=C/c1ccccc1 Amb19892839 [0,1,0,0,0,0|2,0,1]=4 150 B14R1.423 C\C(\CNC(C)C)=C/c1ccccc1 Amb20673473 [0,1,0,0,0,0|2,0,1]=4 151 B14R1.423 C\C(\Cl)=C\CC(=O)Nc1ccccc1 Amb24682813 [0,1,0,0,0,0|3,0,0]=4 152 B14R1.423 NC(=O)ONC(=O)Nc1ccccc1 Amb25360830 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.423 NC(=O)\C=C\C(\Cl)=C\c1ccccc1 Amb24695423 [0,1,0,0,0,0|2,0,1]=4 154 B14R1.423 O=C(Cc1ccccc1)CC=C(C)C Amb17594894 [0,1,0,0,0,0|2,0,1]=4 155 B14R1.423 O=C(Nc1ccccc1)CCC(=O)Cl Amb17143518 [0,1,0,0,0,0|3,0,0]=4 156 B14R1.423 O=C(Nc1ccccc1)CCC(=O)N Amb17143108 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.423 O=C(Nc1ccccc1)COC(=O)C Amb1210678 [0,1,0,0,0,0|1,0,0]=2 158 B14R1.423 O=C(Nc1ccccc1)CSC(=O)N Amb1813477 [0,1,0,0,0,0|2,1,0]=4 159 B14R1.423 OC(=O)CCC(=S)Nc1ccccc1 Amb25216156 [0,1,0,0,0,0|3,0,0]=4 160 B14R1.677 CC(=O)CC\C=C\c1ccc(Br)cc1 Amb18228461 [0,1,0,0,0,0|1,0,0]=2 161 B14R1.677 CC(=O)CC\C=C\c1ccc(Cl)cc1 Amb18865910 [0,1,0,0,0,0|1,0,0]=2 162 B14R1.677 CC(=O)CC\C=C\c1ccc(F)cc1 Amb18863723 [0,1,0,0,0,0|1,0,0]=2 163 B14R1.677 CC(=O)NCC#Cc1ccc(Cl)cc1 Amb25082744 [0,1,0,0,0,0|1,0,2]=4 164 B14R1.677 CC(=O)NCCCc1ccc(cc1)N Amb17139367 [0,1,0,0,0,0|1,0,2]=4 165 B14R1.677 CC(=O)NCCNc1ccc(Br)cc1 Amb24389106 [0,1,0,0,0,0|2,0,1]=4 166 B14R1.677 CC(=O)NCCNc1ccc(Cl)cc1 Amb18270425 [0,1,0,0,0,0|2,0,1]=4 167 B14R1.677 CC(=O)NCCNc1ccc(F)cc1 Amb18270423 [0,1,0,0,0,0|2,0,1]=4 168 B14R1.677 CC(=O)NCCNc1ccc(O)cc1 Amb24677616 [0,1,0,0,0,0|2,0,1]=4 169 B14R1.677 CC(=O)NCCOc1ccc(cc1)Br Amb1094624 [0,1,0,0,0,0|2,0,1]=4 170 B14R1.677 CC(=O)NCCOc1ccc(cc1)C Amb1014121 [0,1,0,0,0,0|2,0,1]=4 171 B14R1.677 CC(=O)NCCOc1ccc(cc1)Cl Amb1014120 [0,1,0,0,0,0|2,0,1]=4 172 B14R1.677 CC(=O)NCCOc1ccc(cc1)N Amb16229560 [0,1,0,0,0,0|2,0,1]=4 173 B14R1.677 CC(=O)NCCSc1ccc(O)cc1 Amb19514711 [0,1,0,0,0,0|2,0,1]=4 174 B14R1.677 CC(=O)OCCCc1ccc(Br)cc1 Amb24046248 [0,1,0,0,0,0|0,0,2]=3 175 B14R1.677 CC(=O)OCCOc1ccc(Br)cc1 Amb22493613 [0,1,0,0,0,0|1,0,1]=3 176 B14R1.677 CC(=O)\C=C\C=Cc1ccc(F)cc1 Amb25801822 [0,1,0,0,0,0|1,0,1]=3 177 B14R1.677 CC(NC\C=C\c1ccc(cc1)Cl)C Amb2118861 [0,1,0,0,0,0|2,0,1]=4 178 B14R1.677 Cc1ccc(\C=C/CNC(N)=N)cc1 Amb24634348 [0,1,0,0,0,0|3,0,0]=4 179 B14R1.677 Cc1ccc(\C=C\C=CC(O)=O)cc1 Amb25059185 [0,1,0,0,0,0|2,0,1]=4 180 B14R1.677 Cc1ccc(\C=C\C=C\C(N)=O)cc1 Amb25678354 [0,1,0,0,0,0|2,0,1]=4 181 B14R1.677 Cc1ccc(\C=C\CCC(C)=O)cc1 Amb18224841 [0,1,0,0,0,0|1,0,0]=2 182 B14R1.677 Cc1ccc(\C=C\CNC(N)=N)cc1 Amb24617846 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.677 Cc1ccc(cc1)NCCNC(C)=O Amb25818747 [0,1,0,0,0,0|2,0,1]=4 184 B14R1.677 Cc1ccc(cc1)OCCOC(C)=O Amb22735029 [0,1,0,0,0,0|1,0,1]=3 185 B14R1.677 NC(=O)OCCOc1ccc(cc1)C Amb2229039 [0,1,0,0,0,0|2,0,1]=4 186 B14R1.677 NC(=O)\C=C\C=C\c1ccc(F)cc1 Amb25259219 [0,1,0,0,0,0|2,0,1]=4 187 B14R1.677 Nc1ccc(C=C\C=C\C(N)=O)cc1 Amb24636543 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.677 Nc1ccc(\C=C\C=CC(O)=O)cc1 Amb25295449 [0,1,0,0,0,0|2,0,1]=4 189 B14R1.677 OC(=O)CC\C=C\c1ccc(cc1)Br Amb17264238 [0,1,0,0,0,0|2,0,0]=3 190 B14R1.677 OC(=O)CC\C=C\c1ccc(cc1)C Amb17234906 [0,1,0,0,0,0|2,0,0]=3 191 B14R1.677 OC(=O)CC\C=C\c1ccc(cc1)Cl Amb17240737 [0,1,0,0,0,0|2,0,0]=3 192 B14R1.677 OC(=O)CC\C=C\c1ccc(cc1)F Amb17235885 [0,1,0,0,0,0|2,0,0]=3 193 B14R1.677 Oc1ccc(C=C\C=C\C(O)=O)cc1 Amb24420159 [0,1,0,0,0,0|2,0,1]=4 194 B14R1.716 BrCC(=O)NCCCc1ccccc1 Amb17323643 [0,1,0,0,0,0|1,0,2]=4 195 B14R1.716 BrCC(=O)NCCOc1ccccc1 Amb17333035 [0,1,0,0,0,0|2,0,1]=4 196 B14R1.716 C=CC(=O)OCCCc1ccccc1 Amb17934135 [0,1,0,0,0,0|0,0,3]=4 197 B14R1.716 C=CC(=O)OCCSc1ccccc1 Amb17934210 [0,1,0,0,0,0|1,0,2]=4 198 B14R1.716 C=CC(=O)OC\C=C\c1ccccc1 Amb17933977 [0,1,0,0,0,0|0,0,1]=2 199 B14R1.716 CC(C=O)OCOCc1ccccc1 Amb25104863 [0,1,0,0,0,0|1,0,2]=4 200 B14R1.716 CCC(=O)CCC#Cc1ccccc1 Amb19070057 [0,1,0,0,0,0|1,0,2]=4 201 B14R1.716 CCC(=O)CCCCc1ccccc1 Amb17234942 [0,1,0,0,0,0|1,0,2]=4 202 B14R1.716 CCC(=O)CCNCc1ccccc1 Amb25040589 [0,1,0,0,0,0|2,0,1]=4 203 B14R1.716 CCC(=O)NCC#Cc1ccccc1 Amb10562814 [0,1,0,0,0,0|1,0,2]=4 204 B14R1.716 CCC(=O)NCCSc1ccccc1 Amb19558300 [0,1,0,0,0,0|2,0,1]=4 205 B14R1.716 CCC(=O)OCC#Cc1ccccc1 Amb25251500 [0,1,0,0,0,0|0,0,2]=3 206 B14R1.716 CCC(NC\C=C\c1ccccc1)C Amb1922704 [0,1,0,0,0,0|2,0,1]=4 207 B14R1.716 CNC(=O)CCC#Cc1ccccc1 Amb25185908 [0,1,0,0,0,0|1,0,2]=4 208 B14R1.716 CNC(=O)CCNCc1ccccc1 Amb18330312 [0,1,0,0,0,0|2,0,1]=4 209 B14R1.716 CNC(=O)N\N=C\Cc1ccccc1 Amb25183663 [0,1,0,0,0,0|2,0,1]=4 210 B14R1.716 CNC(=O)OCCOc1ccccc1 Amb24081214 [0,1,0,0,0,0|1,0,1]=3 211 B14R1.716 CNC(=O)\C=C\C=C\c1ccccc1 Amb25827575 [0,1,0,0,0,0|1,0,1]=3 212 B14R1.716 CNC(=S)\C=C\C=Cc1ccccc1 Amb24521595 [0,1,0,0,0,0|1,1,1]=4 213 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,1,0,0,0,0|2,0,1]=4 214 B14R1.716 COC(=O)NCC#Cc1ccccc1 Amb24374036 [0,1,0,0,0,0|1,0,2]=4 215 B14R1.716 COC(=O)NCCOc1ccccc1 Amb1014011 [0,1,0,0,0,0|2,0,1]=4 216 B14R1.716 COC(=O)N\C=C/Sc1ccccc1 Amb24523797 [0,1,0,0,0,0|2,0,1]=4 217 B14R1.716 COC(=O)OCC=Cc1ccccc1 Amb22230406 [0,1,0,0,0,0|0,0,0]=1 218 B14R1.716 C[C@@H](C=O)OCC#Cc1ccccc1 Amb24620123 [0,1,0,0,0,0|0,0,3]=4 219 B14R1.716 C[C@@H](C=O)OCOCc1ccccc1 Amb24347014 [0,1,0,0,0,0|1,0,2]=4 220 B14R1.716 C[C@H](C=O)OCOCc1ccccc1 Amb25858257 [0,1,0,0,0,0|1,0,2]=4 221 B14R1.716 C\C(=C/COCc1ccccc1)\C=O Amb18650557 [0,1,0,0,0,0|2,0,1]=4 222 B14R1.716 C\C(=C\COCc1ccccc1)\C=O Amb24540844 [0,1,0,0,0,0|2,0,1]=4 223 B14R1.716 ClCC(=O)NCCCc1ccccc1 Amb1103589 [0,1,0,0,0,0|1,0,2]=4 224 B14R1.716 ClCC(=O)NCCSc1ccccc1 Amb1657260 [0,1,0,0,0,0|2,0,1]=4 225 B14R1.716 NCC(=O)CCOCc1ccccc1 Amb25698053 [0,1,0,0,0,0|2,0,1]=4 226 B14R1.716 NCC(=O)NCCOc1ccccc1 Amb17235931 [0,1,0,0,0,0|2,0,1]=4 227 B14R1.716 NCC(=O)NCCSc1ccccc1 Amb24770028 [0,1,0,0,0,0|2,0,1]=4 228 B14R1.716 NNC(=N)NC\C=C\c1ccccc1 Amb24515139 [0,1,0,0,0,0|3,0,0]=4 229 B14R1.716 NNC(=O)\C=C\C=C\c1ccccc1 Amb24501411 [0,1,0,0,0,0|2,0,1]=4 230 B14R1.716 O=C(CBr)CCOCc1ccccc1 Amb25342908 [0,1,0,0,0,0|2,0,1]=4 231 B14R1.716 O=C(CBr)OCCCc1ccccc1 Amb24094180 [0,1,0,0,0,0|0,0,2]=3 232 B14R1.716 O=C(CCl)NCC#Cc1ccccc1 Amb19514326 [0,1,0,0,0,0|1,0,2]=4 233 B14R1.716 O=C(CCl)NCOCc1ccccc1 Amb25181342 [0,1,0,0,0,0|2,0,1]=4 234 B14R1.716 O=C(CCl)OCC=Cc1ccccc1 Amb22358971 [0,1,0,0,0,0|0,0,0]=1 235 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,1,0,0,0,0|1,0,1]=3 236 B14R1.818 CC(=O)CC(O)OCc1ccccc1 Amb25802890 [0,1,0,0,0,0|2,0,1]=4 237 B14R1.818 CC(=O)C[C@@H](N)C#Cc1ccccc1 Amb25664270 [0,1,0,0,0,0|1,0,2]=4 238 B14R1.818 CC(=O)C[C@H](O)C#Cc1ccccc1 Amb25688770 [0,1,0,0,0,0|1,0,2]=4 239 B14R1.818 CC(=O)NC(C)CNc1ccccc1 Amb25750704 [0,1,0,0,0,0|2,0,1]=4 240 B14R1.818 CC(=O)OC(C)C#Cc1ccccc1 Amb25676953 [0,1,0,0,0,0|0,0,2]=3 241 B14R1.818 CC(=O)[CH-]C(=O)C=Cc1ccccc1 Amb22486320 [0,1,0,0,0,0|1,0,1]=3 242 B14R1.818 C\C(\C=C/c1ccccc1)=C\C([O-])=O Amb19748281 [0,1,0,0,0,0|2,0,1]=4 243 B14R1.818 NC(=O)NC(=O)\C=C\c1ccccc1 Amb25291849 [0,1,0,0,0,0|2,0,1]=4 244 B14R1.818 OC(=O)\C=C(\Cl)/C=C/c1ccccc1 Amb24452241 [0,1,0,0,0,0|2,0,1]=4 245 B14R1.818 OC(=O)\C=C(\Cl)/C=Cc1ccccc1 Amb25195875 [0,1,0,0,0,0|2,0,1]=4 246 B14R1.818 OC(C=C(F)F)\C=C\c1ccccc1 Amb25317484 [0,1,0,0,0,0|3,0,0]=4 247 B14R1.818 OC(C=Cc1ccccc1)=CC(O)=O Amb22451276 [0,1,0,0,0,0|2,0,1]=4 248 B14R1.3331 CC(C)(N)CC\C=C\c1ccccc1 Amb18863479 [0,1,0,0,0,0|2,0,1]=4 249 B14R1.3331 CC(C)(O)CC\C=C\c1ccccc1 Amb18224851 [0,1,0,0,0,0|1,0,2]=4 250 B14R1.3331 O=S(=O)(Cl)CC\C=C\c1ccccc1 Amb18868874 [0,1,0,0,0,0|3,0,0]=4 251 B14R1.6449 CC(=C)C(=O)N\C=C/c1ccccc1 Amb24381404 [0,1,0,0,0,0|3,0,0]=4 252 B14R1.6449 CC(=C)C(=O)N\C=C\c1ccccc1 Amb25356426 [0,1,0,0,0,0|3,0,0]=4 253 B14R1.6449 CC(=O)C(=O)CNCc1ccccc1 Amb25103178 [0,1,0,0,0,0|2,0,1]=4 254 B14R1.6449 CC(=O)C(C)CC#Cc1ccccc1 Amb19070058 [0,1,0,0,0,0|1,0,2]=4 255 B14R1.6449 CC(=O)[C@@H](C)COCc1ccccc1 Amb24544010 [0,1,0,0,0,0|2,0,1]=4 256 B14R1.6449 CC(N\C=C\c1ccccc1)C(O)=O Amb24374012 [0,1,0,0,0,0|3,0,0]=4 257 B14R1.6449 CN(C)C(=O)C\C=C\c1ccccc1 Amb24110298 [0,1,0,0,0,0|3,0,0]=4 258 B14R1.6449 C\C(=C\C=Cc1ccccc1)\C(O)=O Amb25214478 [0,1,0,0,0,0|2,0,1]=4 259 B14R1.6449 N[C@@H](C\C=C\c1ccccc1)C(O)=O Amb22746168 [0,1,0,0,0,0|2,0,0]=3 260 B14R1.6449 OC(=O)C(F)=C\C=C\c1ccccc1 Amb24740676 [0,1,0,0,0,0|2,0,1]=4 261 B14R1.6449 OC(=O)C(S)=C\C=C\c1ccccc1 Amb24536275 [0,1,0,0,0,0|2,0,1]=4 262 B14R1.6449 OC(=O)[C@@H](N\C=C\c1ccccc1)C Amb16231751 [0,1,0,0,0,0|3,0,0]=4 263 B14R1.6449 OC(=O)\C(=C/C=C/c1ccccc1)\S Amb2480105 [0,1,0,0,0,0|2,0,1]=4 264 B14R1.6449 OC(=O)\C(=C\C=C\c1ccccc1)\S Amb1218848 [0,1,0,0,0,0|2,0,1]=4 265 B14R1.6449 OC(=O)\C(\F)=C\C=Cc1ccccc1 Amb24700151 [0,1,0,0,0,0|2,0,1]=4 266 B14R1.6449 OC(=O)\C(\S)=C\C=Cc1ccccc1 Amb24603162 [0,1,0,0,0,0|2,0,1]=4 267 B14R2.2 CC(=C)C[n]1ccc2ccccc12 Amb25809707 [0,0,0,1,0,0|3,0,0]=4 268 B14R2.2 CC(=O)CC1CNc2ccccc21 Amb25155675 [0,0,0,1,0,0|2,0,1]=4 269 B14R2.2 CC(=O)C[C@H]1CCc2ccccc21 Amb24495028 [0,0,0,1,0,0|1,0,2]=4 270 B14R2.2 CC(=O)C[n]1[n]cc2ccccc12 Amb18180434 [0,0,0,1,0,0|3,0,0]=4 271 B14R2.2 CC(=O)C[n]1ccc2ccccc12 Amb18185769 [0,0,0,1,0,0|2,0,0]=3 272 B14R2.2 CC(=O)Cc1csc2c1cccc2 Amb17594971 [0,0,0,1,0,0|2,0,1]=4 273 B14R2.2 CC(=O)NC1=CCc2ccccc12 Amb22270448 [0,0,0,1,0,0|1,0,2]=4 274 B14R2.2 CC(=O)NC1COc2ccccc21 Amb25369926 [0,0,0,1,0,0|2,0,1]=4 275 B14R2.2 CC(=O)Nc1coc2c1cccc2 Amb1102596 [0,0,0,1,0,0|2,0,1]=4 276 B14R2.2 CC(=O)Nc1csc2c1cccc2 Amb10810744 [0,0,0,1,0,0|2,0,1]=4 277 B14R2.2 CC(=O)Nn1cnc2c1cccc2 Amb1629853 [0,0,0,1,0,0|3,0,0]=4 278 B14R2.2 CC(=O)OC1CCc2ccc[n]c21 Amb22497182 [0,0,0,1,0,0|1,0,2]=4 279 B14R2.2 CC(=O)OC1CCc2ccccc21 Amb24323359 [0,0,0,1,0,0|0,0,2]=3 280 B14R2.2 CC(=O)OC1COc2cc[n]cc21 Amb24400622 [0,0,0,1,0,0|2,0,1]=4 281 B14R2.2 CC(=O)OC1COc2ccccc21 Amb24393757 [0,0,0,1,0,0|1,0,1]=3 282 B14R2.2 CC(=O)O[n]1ccc2ccccc12 Amb25760121 [0,0,0,1,0,0|1,0,0]=2 283 B14R2.2 CC(=O)Oc1[n][nH]c2ccccc21 Amb25850315 [0,0,0,1,0,0|2,0,1]=4 284 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 Amb1229160 [0,0,0,1,0,0|1,0,1]=3 285 B14R2.2 CC(=O)Oc1c[nH]c2c1cccn2 Amb15692253 [0,0,0,1,0,0|2,0,1]=4 286 B14R2.2 CC(=O)Oc1c[nH]c2ccc[n]c12 Amb25373895 [0,0,0,1,0,0|2,0,1]=4 287 B14R2.2 CC(=O)Oc1c[s]c2ccccc21 Amb24066373 [0,0,0,1,0,0|1,0,1]=3 288 B14R2.2 CC(=O)Oc1cc[n]2ccccc21 Amb25320820 [0,0,0,1,0,0|1,0,1]=3 289 B14R2.2 CC(=O)Oc1ccc2cccc[n]21 Amb24756904 [0,0,0,1,0,0|1,0,1]=3 290 B14R2.2 CC(=O)Oc1coc2c[n]ccc12 Amb25273877 [0,0,0,1,0,0|2,0,1]=4 291 B14R2.2 CC(=O)Sc1c[nH]c2ccccc12 Amb25742488 [0,0,0,1,0,0|1,1,1]=4 292 B14R2.2 NC(=O)Cn1ccc2c1cccc2 Amb1951914 [0,0,0,1,0,0|3,0,0]=4 293 B14R2.2 NC(=O)Oc1c[s]c2ccccc21 Amb25223604 [0,0,0,1,0,0|2,0,1]=4 294 B14R2.2 OC(=O)CC1C=Cc2c1cccc2 Amb17470502 [0,0,0,1,0,0|2,0,0]=3 295 B14R2.2 OC(=O)CC1C=Nc2ccccc21 Amb24078946 [0,0,0,1,0,0|3,0,0]=4 296 B14R2.2 OC(=O)Cn1ccc2c1cccc2 Amb1783750 [0,0,0,1,0,0|3,0,0]=4 297 B14R2.19 Cc1[n]c(Cc2ccccc2)[n]o1 Amb25760165 [0,0,0,1,0,0|2,0,1]=4 298 B14R2.19 Cc1[n]c(Nc2ccccc2)[n]o1 Amb25833235 [0,0,0,1,0,0|3,0,0]=4 299 B14R2.19 Cc1cc(Nc2ccccc2)[n]o1 Amb25815758 [0,0,0,1,0,0|3,0,0]=4 300 B14R2.19 O=C1C=C(CO1)Nc2ccccc2 Amb22481357 [0,0,0,1,0,0|1,0,1]=3 301 B14R2.19 O=C1C=C(CO1)Sc2ccccc2 Amb21928058 [0,0,0,1,0,0|1,0,1]=3 302 B14R2.19 O=C1C=C(Nc2ccccc2)NO1 Amb24741763 [0,0,0,1,0,0|2,0,1]=4 303 B14R2.19 O=C1C=CC(=Cc2ccccc2)O1 Amb24081371 [0,0,0,1,0,0|2,0,1]=4 304 B14R2.19 O=C1CC(CC1)Sc2ccccc2 Amb25815229 [0,0,0,1,0,0|2,0,1]=4 305 B14R2.19 O=C1CC(Cc2ccccc2)=CC1 Amb24422432 [0,0,0,1,0,0|1,0,2]=4 306 B14R2.19 O=C1CC(Cc2ccccc2)CC1 Amb24455173 [0,0,0,1,0,0|1,0,2]=4 307 B14R2.19 O=C1CC(Nc2ccccc2)=NO1 Amb25192239 [0,0,0,1,0,0|2,0,0]=3 308 B14R2.19 O=C1CCC(=C1)Sc2ccccc2 Amb25343199 [0,0,0,1,0,0|2,0,1]=4 309 B14R2.19 O=C1CCN(C1)Cc2ccccc2 Amb1680105 [0,0,0,1,0,0|2,0,1]=4 310 B14R2.19 O=C1CC\C(=C\c2ccccc2)\O1 Amb24490546 [0,0,0,1,0,0|2,0,0]=3 311 B14R2.19 O=C1CC\C(\N1)=N\c2ccccc2 Amb24642454 [0,0,0,1,0,0|3,0,0]=4 312 B14R2.19 O=C1CC\[N+](=C/c2ccccc2)\[N-]1 Amb2423893 [0,0,0,1,0,0|3,0,0]=4 313 B14R2.19 O=C1CC\[N+](=C\c2ccccc2)\[N-]1 Amb24640748 [0,0,0,1,0,0|3,0,0]=4 314 B14R2.19 O=C1CN(Cc2ccccc2)CC1 Amb18048933 [0,0,0,1,0,0|2,0,1]=4 315 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CC1 Amb24723978 [0,0,0,1,0,0|1,0,2]=4 316 B14R2.19 O=C1C\C(=C\c2ccccc2)\C=C1 Amb25233705 [0,0,0,1,0,0|1,0,1]=3 317 B14R2.19 O=C1C\C(\CO1)=C\c2ccccc2 Amb24712490 [0,0,0,1,0,0|0,0,0]=1 318 B14R2.19 O=C1NC(Cc2ccccc2)=NO1 Amb18184032 [0,0,0,1,0,0|2,0,1]=4 319 B14R2.19 O=C1NC(Nc2ccccc2)=NO1 Amb25366198 [0,0,0,1,0,0|3,0,0]=4 320 B14R2.19 O=C1NCC(C1)Cc2ccccc2 Amb10608007 [0,0,0,1,0,0|1,0,2]=4 321 B14R2.19 O=C1OCC(O1)Sc2ccccc2 Amb25749160 [0,0,0,1,0,0|2,0,1]=4 322 B14R2.19 O=C1ON=C(C1)Cc2ccccc2 Amb1099037 [0,0,0,1,0,0|1,0,1]=3 323 B14R2.19 O=S1N=C(CO1)Nc2ccccc2 Amb25095293 [0,0,0,1,0,0|3,0,0]=4 324 B14R2.19 OC1C\C(\CC1)=C/c2ccccc2 Amb24458599 [0,0,0,1,0,0|1,0,2]=4 325 B14R2.19 OC1C\C(\CO1)=C\c2ccccc2 Amb22522086 [0,0,0,1,0,0|0,0,2]=3 326 B14R2.21 CN1CC(=CCC1)c2ccccc2 Amb24677396 [0,0,0,1,0,0|3,0,0]=4 327 B14R2.21 Cc1c[n]cc([n]1)-c2ccccc2 Amb22753717 [0,0,0,1,0,0|3,0,0]=4 328 B14R2.21 Cc1cc(cc[n]1)-c2ccccc2 Amb23441703 [0,0,0,1,0,0|2,0,1]=4 329 B14R2.21 Cc1cncc(c1)c2ccccc2 Amb15691063 [0,0,0,1,0,0|3,0,0]=4 330 B14R2.21 Cc1nncc(c1)c2ccccc2 Amb2227266 [0,0,0,1,0,0|3,0,0]=4 331 B14R2.21 O=C1C=C(C=NN1)c2ccccc2 Amb25859226 [0,0,0,1,0,0|2,0,1]=4 332 B14R2.21 O=C1C=CC=C(N1)c2ccccc2 Amb19517397 [0,0,0,1,0,0|2,0,1]=4 333 B14R2.21 O=C1C=CC=C(O1)c2ccccc2 Amb21949933 [0,0,0,1,0,0|2,0,1]=4 334 B14R2.21 O=C1CC(C=CO1)c2ccccc2 Amb24685281 [0,0,0,1,0,0|0,0,2]=3 335 B14R2.21 O=C1CC(CCC1)c2ccccc2 Amb18065540 [0,0,0,1,0,0|1,0,2]=4 336 B14R2.21 O=C1CC(CCN1)c2ccccc2 Amb20171612 [0,0,0,1,0,0|1,0,2]=4 337 B14R2.21 O=C1CC(CCO1)c2ccccc2 Amb22499444 [0,0,0,1,0,0|0,0,2]=3 338 B14R2.21 O=C1CC(NCC1)c2ccccc2 Amb22274020 [0,0,0,1,0,0|2,0,1]=4 339 B14R2.21 O=C1CC(OCC1)c2ccccc2 Amb19957821 [0,0,0,1,0,0|2,0,1]=4 340 B14R2.21 O=C1CCNC(=N1)c2ccccc2 Amb25053953 [0,0,0,1,0,0|3,0,0]=4 341 B14R2.21 O=C1CCNC(C1)c2ccccc2 Amb17233086 [0,0,0,1,0,0|2,0,1]=4 342 B14R2.21 O=C1CCOC(=C1)c2ccccc2 Amb22750040 [0,0,0,1,0,0|2,0,1]=4 343 B14R2.21 O=C1CN(CCC1)c2ccccc2 Amb19958729 [0,0,0,1,0,0|2,0,1]=4 344 B14R2.21 O=C1CP(CCN1)c2ccccc2 Amb25105493 [0,0,0,1,0,0|2,0,1]=4 345 B14R2.21 O=C1C[C@@H](CCC1)c2ccccc2 Amb22745610 [0,0,0,1,0,0|1,0,2]=4 346 B14R2.21 O=C1C[C@@H](CCO1)c2ccccc2 Amb25113432 [0,0,0,1,0,0|0,0,2]=3 347 B14R2.21 O=C1C[C@@H](OCC1)c2ccccc2 Amb22748229 [0,0,0,1,0,0|2,0,1]=4 348 B14R2.21 O=C1C[C@H](CCN1)c2ccccc2 Amb25191711 [0,0,0,1,0,0|1,0,2]=4 349 B14R2.21 O=C1C[C@H](OCC1)c2ccccc2 Amb24408429 [0,0,0,1,0,0|2,0,1]=4 350 B14R2.21 O=C1NCC=C(N1)c2ccccc2 Amb25798331 [0,0,0,1,0,0|2,0,0]=3 351 B14R2.21 O=C1NCC=C(O1)c2ccccc2 Amb23596887 [0,0,0,1,0,0|2,0,0]=3 352 B14R2.21 O=C1NN=CC(=N1)c2ccccc2 Amb20651377 [0,0,0,1,0,0|3,0,0]=4 353 B14R2.21 O=C1N[C@@H](CCO1)c2ccccc2 Amb25153780 [0,0,0,1,0,0|1,0,2]=4 354 B14R2.21 O=C1N[C@H](CCO1)c2ccccc2 Amb24427391 [0,0,0,1,0,0|1,0,2]=4 355 B14R2.21 OC1CC(=CCC1)c2ccccc2 Amb24705938 [0,0,0,1,0,0|1,0,2]=4 356 B14R2.21 S=C1NCC=C(N1)c2ccccc2 Amb25752028 [0,0,0,1,0,0|2,1,0]=4 357 B14R2.391 OC1Cc2ccccc2C=CCC1 Amb25681480 [0,0,0,1,0,0|1,0,2]=4 358 B14R2.436 O=C1CC(C#Cc2ccccc2)N1 Amb25803644 [0,0,0,1,0,0|1,0,2]=4 359 B14R2.436 O=C1CC(C1)OCc2ccccc2 Amb10844904 [0,0,0,1,0,0|2,0,1]=4 360 B14R2.436 O=C1CC(N1)SCc2ccccc2 Amb25770538 [0,0,0,1,0,0|2,0,1]=4 361 B14R2.436 O=C1CC(\C=C\c2ccccc2)N1 Amb24666627 [0,0,0,1,0,0|1,0,0]=2 362 B14R2.764 CC(=O)C/1C\C1=C\c2ccccc2 Amb25034284 [0,0,0,1,0,0|1,0,0]=2 363 B14R2.764 CC(=O)C1CC1Oc2ccccc2 Amb24408342 [0,0,0,1,0,0|2,0,1]=4 364 B14R2.764 CC(=O)[C@@H]1C[C@H]1Oc2ccccc2 Amb24655035 [0,0,0,1,0,0|2,0,1]=4 365 B14R2.764 OC(=O)C/1C\C1=C/c2ccccc2 Amb24654997 [0,0,0,1,0,0|2,0,0]=3 366 B14R2.780 CC(=O)C1CCC1c2ccccc2 Amb24548830 [0,0,0,1,0,0|1,0,2]=4 367 B14R2.780 CC(=O)N1CCC1c2ccccc2 Amb24352925 [0,0,0,1,0,0|1,0,2]=4 368 B14R2.780 CC(=O)[C@@H]1CC[C@@H]1c2ccccc2 Amb24724006 [0,0,0,1,0,0|1,0,2]=4 369 B14R2.790 CC(=O)N[C@@H]1C[C@H]1c2ccccc2 Amb24273291 [0,0,0,1,0,0|1,0,2]=4 370 B14R2.31137 CC(=O)CCC1Cc2ccccc21 Amb25720706 [0,0,0,1,0,0|1,0,2]=4 371 B14R2.31359 CC(=C)c1cccc2ccccc21 Amb25130722 [0,0,0,1,0,0|2,0,1]=4 372 B14R2.31359 CC(=O)C1C=CCc2ccccc21 Amb25706975 [0,0,0,1,0,0|1,0,2]=4 373 B14R2.31359 CC(=O)C1CCCc2ccccc21 Amb18183860 [0,0,0,1,0,0|1,0,2]=4 374 B14R2.31359 CC(=O)C1CCNc2ccccc21 Amb25839747 [0,0,0,1,0,0|2,0,1]=4 375 B14R2.31359 CC(=O)C1COCc2ccccc21 Amb25121584 [0,0,0,1,0,0|2,0,1]=4 376 B14R2.31359 CC(=O)N1CCOc2c1cccc2 Amb17593003 [0,0,0,1,0,0|2,0,1]=4 377 B14R2.31359 CC(=O)c1[n]ccc2[n]cccc21 Amb25715926 [0,0,0,1,0,0|3,0,0]=4 378 B14R2.31359 CC(=O)c1[n]ccc2c[n]ccc21 Amb25776016 [0,0,0,1,0,0|3,0,0]=4 379 B14R2.31359 CC(=O)c1[n]ccc2cc[n]cc21 Amb25849933 [0,0,0,1,0,0|3,0,0]=4 380 B14R2.31359 CC(=O)c1[n]ccc2ccccc21 Amb19104782 [0,0,0,1,0,0|2,0,0]=3 381 B14R2.31359 CC(=O)c1c[n]cc2ccccc21 Amb18353441 [0,0,0,1,0,0|2,0,1]=4 382 B14R2.31359 CC(=O)c1cccc2[n]cccc12 Amb22295846 [0,0,0,1,0,0|2,0,1]=4 383 B14R2.31359 CC(=O)c1cccc2c[n]ccc21 Amb18793963 [0,0,0,1,0,0|2,0,1]=4 384 B14R2.31359 CC(=O)c1cccc2cc[n]cc21 Amb19104765 [0,0,0,1,0,0|2,0,1]=4 385 B14R2.31359 CC(=O)c1ccnc2c1cccc2 Amb10982506 [0,0,0,1,0,0|2,0,1]=4 386 B14R2.31359 CS(=O)c1[n]ccc2ccccc21 Amb24586566 [0,0,0,1,0,0|3,0,0]=4 387 B14R2.31359 NC(=O)C1NC=Cc2ccccc21 Amb25111260 [0,0,0,1,0,0|3,0,0]=4 388 B14R2.31359 NC(=O)N1CC=Cc2ccccc12 Amb24063999 [0,0,0,1,0,0|2,0,0]=3 389 B14R2.31359 NC(=O)c1[n]ccc2ccccc21 Amb18183687 [0,0,0,1,0,0|3,0,0]=4 390 B14R2.31359 NC(=O)c1[n]ccc2ccccc21 Amb22465307 [0,0,0,1,0,0|3,0,0]=4 391 B14R2.31359 O=C(Cl)C1CC=Cc2ccccc21 Amb24496974 [0,0,0,1,0,0|2,0,0]=3 392 B14R2.31359 O=C(Cl)c1[n]ccc2ccccc21 Amb18279331 [0,0,0,1,0,0|3,0,0]=4 393 B14R2.31359 O=C(F)c1cccc2ccccc21 Amb25123971 [0,0,0,1,0,0|2,0,1]=4 394 B14R2.31359 OC(=O)C1CC=Cc2ccccc21 Amb25139390 [0,0,0,1,0,0|2,0,0]=3 395 B14R2.31359 OC(=O)c1[nH+]ccc2c1cccc2 Amb2540134 [0,0,0,1,0,0|3,0,0]=4 396 B14R2.31359 OC(=O)c1cccc2ccccc12 Amb17748952 [0,0,0,1,0,0|2,0,1]=4 397 B14R2.31359 [O-]C(=O)c1cccc2ccccc21 Amb22045548 [0,0,0,1,0,0|2,0,1]=4 398 B12R1.252 BrC(Br)=CC=Cc1ccccc1 Amb24698537 [0,0,0,0,1,0|2,0,1]=4 399 B12R1.252 CC(=C)CCNc1ccccc1 Amb25771824 [0,0,0,0,1,0|2,0,1]=4 400 B12R1.252 CC(=C)CNCc1ccccc1 Amb10608684 [0,0,0,0,1,0|2,0,1]=4 401 B12R1.252 CC(=C)CNCc1ccccc1 Amb17622487 [0,0,0,0,1,0|2,0,1]=4 402 B12R1.252 CC(=N)NCCc1ccccc1 Amb25148437 [0,0,0,0,1,0|2,0,1]=4 403 B12R1.252 CC(=O)C#CSc1ccccc1 Amb25767013 [0,0,0,0,1,0|1,0,2]=4 404 B12R1.252 CC(=O)CCCc1cccc[n]1 Amb22284162 [0,0,0,0,1,0|1,0,2]=4 405 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,1,0|1,0,2]=4 406 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,1,0|1,0,2]=4 407 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [0,0,0,0,1,0|0,0,0]=1 408 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [0,0,0,0,1,0|1,0,0]=2 409 B12R1.252 CC(=O)NCCc1cccc[n]1 Amb22751848 [0,0,0,0,1,0|2,0,1]=4 410 B12R1.252 CC(=O)NCCc1ccncc1 Amb1066478 [0,0,0,0,1,0|2,0,1]=4 411 B12R1.252 CC(=O)NOCc1ccccc1 Amb10571914 [0,0,0,0,1,0|2,0,1]=4 412 B12R1.252 CC(=O)N\C=C\c1ccc[n]c1 Amb24497056 [0,0,0,0,1,0|2,0,0]=3 413 B12R1.252 CC(=O)OCOc1cccc[n]1 Amb24100497 [0,0,0,0,1,0|2,0,0]=3 414 B12R1.252 CC(=O)O[Hg]Cc1ccccc1 Amb22347638 [0,0,0,0,1,0|1,0,1]=3 415 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,1,0|0,0,0]=1 416 B12R1.252 CC(=O)SCCc1ccccn1 Amb17619708 [0,0,0,0,1,0|1,1,1]=4 417 B12R1.252 CC(=O)\C=C/Nc1cccc[n]1 Amb24513633 [0,0,0,0,1,0|2,0,1]=4 418 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb10565265 [0,0,0,0,1,0|1,0,1]=3 419 B12R1.252 CC(=O)\C=C/Sc1ccccc1 Amb25735703 [0,0,0,0,1,0|1,0,1]=3 420 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb25179518 [0,0,0,0,1,0|0,0,2]=3 421 B12R1.252 CC(=O)\C=C\N=C1C=CNC=C1 Amb25351670 [0,0,0,0,1,0|2,0,1]=4 422 B12R1.252 CC(=O)\C=C\Nc1cccc[n]1 Amb22490408 [0,0,0,0,1,0|2,0,1]=4 423 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [0,0,0,0,1,0|1,0,1]=3 424 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb25179665 [0,0,0,0,1,0|1,0,1]=3 425 B12R1.252 CC(=O)\C=N/Nc1ccccc1 Amb11012875 [0,0,0,0,1,0|2,0,1]=4 426 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [0,0,0,0,1,0|2,0,1]=4 427 B12R1.252 CC(=S)\C=C\Nc1ccccc1 Amb25732011 [0,0,0,0,1,0|1,1,1]=4 428 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [0,0,0,0,1,0|2,0,1]=4 429 B12R1.252 CC(C)=C\C=C/c1cccc[n]1 Amb22546609 [0,0,0,0,1,0|2,0,1]=4 430 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb22347651 [0,0,0,0,1,0|1,0,1]=3 431 B12R1.252 CC(N)=N\C=C\c1ccccc1 Amb25273902 [0,0,0,0,1,0|2,0,0]=3 432 B12R1.252 CC(N)C\C=C\c1c[n]ccc1 Amb24558022 [0,0,0,0,1,0|2,0,1]=4 433 B12R1.252 CC(N)C\C=C\c1cc[n]cc1 Amb24540248 [0,0,0,0,1,0|2,0,1]=4 434 B12R1.252 CC(O)C\C=C\c1c[n]ccc1 Amb25047994 [0,0,0,0,1,0|1,0,2]=4 435 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb24645318 [0,0,0,0,1,0|0,0,2]=3 436 B12R1.252 CN(C)C\C=C\c1ccccc1 Amb24434314 [0,0,0,0,1,0|2,0,0]=3 437 B12R1.252 CS(=O)CCNc1ccccc1 Amb24562694 [0,0,0,0,1,0|2,0,1]=4 438 B12R1.252 C[C@@H](O)C\C=C\c1c[n]ccc1 Amb25157958 [0,0,0,0,1,0|1,0,2]=4 439 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb25846224 [0,0,0,0,1,0|0,0,2]=3 440 B12R1.252 C[C@@H](O)C\N=C\c1ccccc1 Amb25369326 [0,0,0,0,1,0|1,0,2]=4 441 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb25080010 [0,0,0,0,1,0|0,0,2]=3 442 B12R1.252 C[C@H](O)C\N=C\c1ccccc1 Amb24642411 [0,0,0,0,1,0|1,0,2]=4 443 B12R1.252 C\C(\N)=C\C=Nc1ccccc1 Amb25200020 [0,0,0,0,1,0|2,0,1]=4 444 B12R1.252 C\C(\N)=N\N=Cc1ccccc1 Amb25362013 [0,0,0,0,1,0|3,0,0]=4 445 B12R1.252 ClC(=O)CCSc1ccccc1 Amb10064363 [0,0,0,0,1,0|2,0,1]=4 446 B12R1.252 NC(=O)C\C=C\c1ccccc1 Amb24470049 [0,0,0,0,1,0|1,0,0]=2 447 B12R1.252 NC(=O)C\N=C\c1ccccc1 Amb24485689 [0,0,0,0,1,0|2,0,0]=3 448 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [0,0,0,0,1,0|2,0,1]=4 449 B12R1.252 NC(=O)NN=Cc1ccccc1 Amb2389840 [0,0,0,0,1,0|3,0,0]=4 450 B12R1.252 NC(=O)N\C=C\c1ccccc1 Amb25362141 [0,0,0,0,1,0|2,0,0]=3 451 B12R1.252 NC(=O)\C=C\Cc1ccccc1 Amb25148586 [0,0,0,0,1,0|1,0,2]=4 452 B12R1.252 NC(=S)C\C=C\c1ccccc1 Amb25112081 [0,0,0,0,1,0|1,1,0]=3 453 B12R1.252 N[13C](=O)N\N=C\c1ccccc1 Amb17608784 [0,0,0,0,1,0|3,0,0]=4 454 B12R1.252 O=C(Cl)CNCc1ccccc1 Amb25040534 [0,0,0,0,1,0|2,0,1]=4 455 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [0,0,0,0,1,0|1,0,0]=2 456 B12R1.252 O=C(Cl)NCCc1ccccc1 Amb24619690 [0,0,0,0,1,0|2,0,1]=4 457 B12R1.252 OC(=O)C=C=Cc1ccccc1 Amb25102534 [0,0,0,0,1,0|1,0,2]=4 458 B12R1.252 OC(=O)CC#Cc1ccccc1 Amb18296382 [0,0,0,0,1,0|1,0,2]=4 459 B12R1.252 OC(=O)CCC[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22056045 [0,0,0,0,1,0|1,0,2]=4 460 B12R1.252 OC(=O)CCCc1ccccc1 Amb2388283 [0,0,0,0,1,0|1,0,2]=4 461 B12R1.252 OC(=O)CCNc1ccccc1 Amb1207377 [0,0,0,0,1,0|2,0,1]=4 462 B12R1.252 OC(=O)CCOc1ccccc1 Amb1206804 [0,0,0,0,1,0|2,0,1]=4 463 B12R1.252 OC(=O)CCSc1ccccc1 Amb1036581 [0,0,0,0,1,0|2,0,1]=4 464 B12R1.252 OC(=O)CNNc1ccccc1 Amb25258415 [0,0,0,0,1,0|3,0,0]=4 465 B12R1.252 OC(=O)C[NH2+]Cc1ccccc1 Amb24113880 [0,0,0,0,1,0|2,0,1]=4 466 B12R1.252 OC(=O)C\C=C\c1cc[n]cc1 Amb24571194 [0,0,0,0,1,0|2,0,0]=3 467 B12R1.252 OC(=O)C\C=C\c1cccc[n]1 Amb25073201 [0,0,0,0,1,0|2,0,0]=3 468 B12R1.252 OC(=O)C\N=C/c1cc[n]cc1 Amb25273885 [0,0,0,0,1,0|3,0,0]=4 469 B12R1.252 OC(=O)C\N=C\c1ccccc1 Amb24627161 [0,0,0,0,1,0|2,0,0]=3 470 B12R1.252 OC(=O)\C=C\Nc1ccccc1 Amb25315667 [0,0,0,0,1,0|2,0,1]=4 471 B12R1.252 OC(=O)\C=C\Oc1ccccc1 Amb18645970 [0,0,0,0,1,0|2,0,1]=4 472 B12R1.252 OC(=O)\C=C\Sc1ccccc1 Amb1661597 [0,0,0,0,1,0|2,0,1]=4 473 B12R1.252 [O-]C(=O)/C=C/Sc1ccccc1 Amb17913132 [0,0,0,0,1,0|2,0,1]=4 474 B12R1.252 [O-]C(=O)CCCc1ccccc1 Amb15690987 [0,0,0,0,1,0|1,0,2]=4 475 B12R1.252 [O-]C(=O)CC[NH2+]c1ccccc1 Amb22499683 [0,0,0,0,1,0|2,0,1]=4 476 B12R1.255 CC(=O)CC\C=C\c1cc[nH]c1 Amb18862593 [0,0,0,0,1,0|2,0,0]=3 477 B12R1.255 CC(=O)CC\C=C\c1ccc[s]1 Amb18224700 [0,0,0,0,1,0|2,0,0]=3 478 B12R1.255 CC(=O)\C=C\C=C\c1ccc[s]1 Amb25340969 [0,0,0,0,1,0|2,0,1]=4 479 B12R1.255 OC(=O)CC\C=C\c1cccs1 Amb17233930 [0,0,0,0,1,0|3,0,0]=4 480 B14R1.422 CC(=O)C#CCOCc1ccccc1 Amb25818767 [0,0,0,0,0,1|2,0,1]=4 481 B14R1.422 CC(=O)CCCOCc1ccccc1 Amb19078943 [0,0,0,0,0,1|1,0,2]=4 482 B14R1.422 CC(=O)NCCC#Cc1ccccc1 Amb24072453 [0,0,0,0,0,1|1,0,2]=4 483 B14R1.422 CC(=O)NCCCSc1ccccc1 Amb21792154 [0,0,0,0,0,1|1,0,2]=4 484 B14R1.422 CC(=O)NCCOCc1ccccc1 Amb23166894 [0,0,0,0,0,1|1,0,2]=4 485 B14R1.422 CC(=O)NCC\N=C\c1ccccc1 Amb24073400 [0,0,0,0,0,1|1,0,1]=3 486 B14R1.422 CC(=O)NC\C=C/Cc1ccccc1 Amb24072932 [0,0,0,0,0,1|1,0,0]=2 487 B14R1.422 CC(=O)NNC\C=C/c1ccccc1 Amb24072928 [0,0,0,0,0,1|1,0,0]=2 488 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [0,0,0,0,0,1|0,0,2]=3 489 B14R1.422 CC(=O)OCCNCc1ccccc1 Amb18929298 [0,0,0,0,0,1|0,0,2]=3 490 B14R1.422 CC(C)NCCC=Cc1ccccc1 Amb19072704 [0,0,0,0,0,1|2,0,1]=4 491 B14R1.422 CC(CNC\C=C\c1ccccc1)C Amb1922701 [0,0,0,0,0,1|2,0,1]=4 492 B14R1.422 ClC(=O)OCCOCc1ccccc1 Amb10844670 [0,0,0,0,0,1|1,0,2]=4 493 B14R1.422 NC(=O)N\N=C\C=Cc1ccccc1 Amb24271447 [0,0,0,0,0,1|2,0,1]=4 494 B14R1.422 OC(=O)CCC\C=C\c1ccccc1 Amb17619337 [0,0,0,0,0,1|2,0,0]=3 495 B14R1.422 OC(=O)CCSC=Cc1ccccc1 Amb24078637 [0,0,0,0,0,1|2,0,0]=3 496 B14R1.422 OC(=O)COC\C=C\c1ccccc1 Amb19041553 [0,0,0,0,0,1|1,0,0]=2 497 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [2,0,0,0,0,0|1,0,1]=4 498 B11R1.28 C/C=C/C=C/c1ccccc1 Amb17939507 [2,0,0,0,0,0|0,0,1]=3 499 B11R1.28 C/C=C/CCc1ccccc1 Amb17940149 [2,0,0,0,0,0|1,0,1]=4 500 B11R1.28 C=CC\C=N\c1ccccc1 Amb10574759 [2,0,0,0,0,0|1,0,1]=4 501 B11R1.28 C=CC\N=C/c1ccccc1 Amb24108502 [2,0,0,0,0,0|1,0,1]=4 502 B11R1.28 CC=CCCc1ccccc1 Amb24062987 [2,0,0,0,0,0|1,0,1]=4 503 B11R1.28 CCCC=Cc1cc[n]cc1 Amb24073920 [2,0,0,0,0,0|1,0,1]=4 504 B11R1.28 CCC\C=C/c1cccc[n]1 Amb24101905 [2,0,0,0,0,0|1,0,1]=4 505 B11R1.28 CCC\C=C\c1cc[n]cc1 Amb24103147 [2,0,0,0,0,0|1,0,1]=4 506 B11R1.28 CCC\C=C\c1cccc[n]1 Amb22170161 [2,0,0,0,0,0|1,0,1]=4 507 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [2,0,0,0,0,0|1,0,1]=4 508 B11R1.28 CCOCNc1ccccc1 Amb25856976 [2,0,0,0,0,0|1,0,1]=4 509 B11R1.28 CCOCSc1ccccc1 Amb24762591 [2,0,0,0,0,0|1,0,1]=4 510 B11R1.28 CCO\N=C\c1ccccc1 Amb25712631 [2,0,0,0,0,0|1,0,1]=4 511 B11R1.28 CNC\C=C\c1c[n]ccc1 Amb23442752 [2,0,0,0,0,0|2,0,0]=4 512 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [2,0,0,0,0,0|1,0,0]=3 513 B11R1.28 COCC#Cc1ccccc1 Amb25308232 [2,0,0,0,0,0|0,0,2]=4 514 B11R1.28 COCNCc1ccccc1 Amb25053350 [2,0,0,0,0,0|1,0,1]=4 515 B11R1.28 COC\C=C\c1cccc[n]1 Amb24101883 [2,0,0,0,0,0|1,0,0]=3 516 B11R1.28 CO\C=C/Oc1ccccc1 Amb24069136 [2,0,0,0,0,0|1,0,1]=4 517 B11R1.28 CO\C=C\Oc1ccccc1 Amb24069134 [2,0,0,0,0,0|1,0,1]=4 518 B11R1.28 C\C=C\C=C\c1cccc[n]1 Amb24101888 [2,0,0,0,0,0|1,0,1]=4 519 B11R1.28 C\C=C\C=Cc1cccc[n]1 Amb25681413 [2,0,0,0,0,0|1,0,1]=4 520 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [2,0,0,0,0,0|1,0,1]=4 521 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 Amb22897734 [2,0,0,0,0,0|2,0,0]=4 522 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [2,0,0,0,0,0|1,0,1]=4 523 B11R1.28 NNC\C=C\c1ccccc1 Amb24563952 [2,0,0,0,0,0|2,0,0]=4 524 B11R1.28 NOC\C=C\c1c[n]ccc1 Amb24085612 [2,0,0,0,0,0|2,0,0]=4 525 B11R1.28 NOC\C=C\c1ccccc1 Amb18124997 [2,0,0,0,0,0|1,0,0]=3 526 B11R1.28 N\C=C\C=Cc1ccccc1 Amb24628941 [2,0,0,0,0,0|1,0,1]=4 527 B11R1.28 O=C=N\C=C\c1ccccc1 Amb23441382 [2,0,0,0,0,0|1,0,1]=4 528 B11R1.28 O=CC=C=Cc1ccccc1 Amb24435266 [2,0,0,0,0,0|0,0,2]=4 529 B11R1.28 O=CCCSc1ccccc1 Amb17082943 [2,0,0,0,0,0|1,0,1]=4 530 B11R1.28 O=CCNCc1ccccc1 Amb19886524 [2,0,0,0,0,0|1,0,1]=4 531 B11R1.28 O=CCONc1ccccc1 Amb24434643 [2,0,0,0,0,0|2,0,0]=4 532 B11R1.28 O=CCSCc1ccccc1 Amb18801121 [2,0,0,0,0,0|1,0,1]=4 533 B11R1.28 O=CC\C=C\c1ccccc1 Amb18644267 [2,0,0,0,0,0|0,0,0]=2 534 B11R1.28 O=CNCCc1ccccc1 Amb10559023 [2,0,0,0,0,0|1,0,1]=4 535 B11R1.28 O=CNCSc1ccccc1 Amb24382608 [2,0,0,0,0,0|2,0,0]=4 536 B11R1.28 O=CN\C=C\c1ccccc1 Amb25327993 [2,0,0,0,0,0|1,0,0]=3 537 B11R1.28 O=C\C=C/Sc1ccccc1 Amb25827121 [2,0,0,0,0,0|1,0,1]=4 538 B11R1.28 O=C\C=C\Cc1ccccc1 Amb18124787 [2,0,0,0,0,0|0,0,2]=4 539 B11R1.28 O=C\C=C\Nc1ccccc1 Amb18124821 [2,0,0,0,0,0|1,0,1]=4 540 B11R1.28 O=C\C=C\Oc1ccccc1 Amb24585165 [2,0,0,0,0,0|1,0,1]=4 541 B11R1.28 O=C\C=C\Sc1ccccc1 Amb10563475 [2,0,0,0,0,0|1,0,1]=4 542 B11R1.28 OCC\C=C\c1ccccc1 Amb24756581 [2,0,0,0,0,0|0,0,2]=4 543 B11R1.28 SCC\C=C\c1ccccc1 Amb24390438 [2,0,0,0,0,0|0,1,1]=4 544 B13R1.6 O=C\C=C\C=C\c1cccc(F)c1 Amb23447098 [1,1,0,0,0,0|1,0,1]=4 545 B13R1.9 Cc1ccc(\C=C\C=CC=O)cc1 Amb25375230 [1,1,0,0,0,0|1,0,1]=4 546 B13R1.9 Cc1ccc(\C=C\C=C\C=O)cc1 Amb18126920 [1,1,0,0,0,0|1,0,1]=4 547 B13R1.9 O=C=NC\C=C\c1ccc(Cl)cc1 Amb25281816 [1,1,0,0,0,0|1,0,1]=4 548 B13R1.9 O=C\C=C\C=C\c1ccc(cc1)Cl Amb10608634 [1,1,0,0,0,0|1,0,1]=4 549 B13R1.9 O=C\C=C\C=C\c1ccc(cc1)F Amb10608611 [1,1,0,0,0,0|1,0,1]=4 550 B13R1.24 CCOCNC(=O)c1ccccc1 Amb24072678 [1,1,0,0,0,0|1,0,1]=4 551 B13R1.24 C\C(=C/C=C/C=O)\c1ccccc1 Amb18126923 [1,1,0,0,0,0|1,0,1]=4 552 B13R1.24 C\C(=C/C=C\C=O)\c1ccccc1 Amb25055854 [1,1,0,0,0,0|1,0,1]=4 553 B13R1.24 C\C=C\C=CC(=O)c1ccccc1 Amb24646500 [1,1,0,0,0,0|1,0,1]=4 554 B13R1.24 C\C=C\CNC(=O)c1ccccc1 Amb24072901 [1,1,0,0,0,0|2,0,0]=4 555 B13R1.24 C\C=C\CNC(=S)c1ccccc1 Amb25294300 [1,1,0,0,0,0|2,0,0]=4 556 B13R1.24 O=CCCNC(=O)c1ccccc1 Amb17102177 [1,1,0,0,0,0|2,0,0]=4 557 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [1,1,0,0,0,0|0,0,1]=3 558 B13R1.28 C=CCNC\C=C\c1ccccc1 Amb10242931 [1,1,0,0,0,0|1,0,1]=4 559 B13R1.28 C=CCNC\C=C\c1ccccc1 Amb19890285 [1,1,0,0,0,0|1,0,1]=4 560 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [1,1,0,0,0,0|1,0,1]=4 561 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [1,1,0,0,0,0|1,0,1]=4 562 B13R1.28 NCCNC\C=C\c1ccccc1 Amb23595759 [1,1,0,0,0,0|1,0,1]=4 563 B13R1.28 O=CCOCCCc1ccccc1 Amb18790942 [1,1,0,0,0,0|0,0,2]=4 564 B13R1.28 O=CCOCOCc1ccccc1 Amb24663078 [1,1,0,0,0,0|1,0,1]=4 565 B13R1.28 O=C\C=C\C=CNc1ccccc1 Amb25118649 [1,1,0,0,0,0|1,0,1]=4 566 B13R1.28 OCC#CC\C=C\c1ccccc1 Amb25755350 [1,1,0,0,0,0|1,0,1]=4 567 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [1,1,0,0,0,0|1,0,1]=4 568 B13R1.42 C=CCC(N)\C=C\c1ccccc1 Amb18647766 [1,1,0,0,0,0|1,0,1]=4 569 B13R1.42 C=COC(=O)\C=C\c1ccccc1 Amb10807746 [1,1,0,0,0,0|0,0,2]=4 570 B13R1.42 CCOC(=O)\C=C/c1ccccc1 Amb17613997 [1,1,0,0,0,0|0,0,2]=4 571 B13R1.42 C[C@@H](\C=C\c1ccccc1)NC=O Amb25798180 [1,1,0,0,0,0|1,0,0]=3 572 B13R1.42 C\C(\C=C\c1ccccc1)=C/C=O Amb18647671 [1,1,0,0,0,0|1,0,1]=4 573 B13R1.42 C\C=C/C(=O)\C=C\c1ccccc1 Amb25093685 [1,1,0,0,0,0|1,0,1]=4 574 B13R1.42 O=C\C=C(\Cl)/C=Cc1ccccc1 Amb25326687 [1,1,0,0,0,0|1,0,1]=4 575 B13R1.44 C\C(=C/c1ccccc1)\C=C/C=O Amb25044259 [1,1,0,0,0,0|1,0,1]=4 576 B13R1.44 O=C(CCC=O)Nc1ccccc1 Amb25163545 [1,1,0,0,0,0|2,0,0]=4 577 B13R1.555 O=C\C=C\C=C\c1ccccc1F Amb23447097 [1,1,0,0,0,0|1,0,1]=4 578 B13R1.718 CNC(=O)C\C=C\c1ccccc1 Amb25857434 [1,1,0,0,0,0|2,0,0]=4 579 B13R1.718 COC(=O)C\C=C\c1ccccc1 Amb10563169 [1,1,0,0,0,0|2,0,0]=4 580 B13R1.718 C\C(\C=O)=C/C=C/c1ccccc1 Amb18126919 [1,1,0,0,0,0|1,0,1]=4 581 B13R1.718 O\C(\C=O)=C/C=C/c1ccccc1 Amb18127198 [1,1,0,0,0,0|1,0,1]=4 582 B13R1.45 CC(=C)CNC(=O)c1ccccc1 Amb24534621 [0,1,0,0,1,0|2,0,0]=4 583 B13R1.45 CC(=CCC(C)=O)c1ccccc1 Amb24090254 [0,1,0,0,1,0|0,0,0]=2 584 B13R1.45 CC(=O)C#CC(=O)c1ccccc1 Amb25134098 [0,1,0,0,1,0|0,0,2]=4 585 B13R1.45 CC(=O)C=CC(C)c1ccccc1 Amb24090253 [0,1,0,0,1,0|0,0,2]=4 586 B13R1.45 CC(=O)CNC(=O)c1c[n]ccc1 Amb25684073 [0,1,0,0,1,0|2,0,0]=4 587 B13R1.45 CC(=O)CNC(=O)c1cc[n]cc1 Amb24439637 [0,1,0,0,1,0|2,0,0]=4 588 B13R1.45 CC(=O)CNC(=O)c1cccc[n]1 Amb24650706 [0,1,0,0,1,0|2,0,0]=4 589 B13R1.45 CC(=O)COC(=O)c1ccccc1 Amb22497327 [0,1,0,0,1,0|1,0,0]=3 590 B13R1.45 CC(=O)NCC(=O)c1c[n]ccc1 Amb25115599 [0,1,0,0,1,0|2,0,0]=4 591 B13R1.45 CC(=O)NCC(=O)c1cccc[n]1 Amb25796865 [0,1,0,0,1,0|2,0,0]=4 592 B13R1.45 CC(=O)NC[C@@H](C)c1ccccc1 Amb25311245 [0,1,0,0,1,0|1,0,1]=4 593 B13R1.45 CC(=O)NC[C@@H](O)c1ccccc1 Amb24435357 [0,1,0,0,1,0|1,0,1]=4 594 B13R1.45 CC(=O)NC[C@H](N)c1ccccc1 Amb25752007 [0,1,0,0,1,0|1,0,1]=4 595 B13R1.45 CC(=O)NOC(=O)c1ccccc1 Amb24726089 [0,1,0,0,1,0|2,0,0]=4 596 B13R1.45 CC(=O)O/C=C(\C)c1ccccc1 Amb17778975 [0,1,0,0,1,0|0,0,0]=2 597 B13R1.45 CC(=O)OCC(=C)c1ccccc1 Amb17778927 [0,1,0,0,1,0|0,0,0]=2 598 B13R1.45 CC(=O)ONC(=O)c1cc[n]cc1 Amb25160710 [0,1,0,0,1,0|2,0,0]=4 599 B13R1.45 CC(=O)ONC(=O)c1cccc[n]1 Amb24745497 [0,1,0,0,1,0|2,0,0]=4 600 B13R1.45 CC(=O)ONC(=O)c1ccccc1 Amb24106396 [0,1,0,0,1,0|1,0,0]=3 601 B13R1.45 CC(=O)OOC(=O)c1ccccc1 Amb17672876 [0,1,0,0,1,0|1,0,0]=3 602 B13R1.45 CC(=O)\C=C\C(=O)c1ccccc1 Amb25094370 [0,1,0,0,1,0|0,0,1]=3 603 B13R1.45 CC(=O)\C=C\C(C)c1ccccc1 Amb25292084 [0,1,0,0,1,0|0,0,2]=4 604 B13R1.45 CC(=O)\C=C\C(O)c1ccccc1 Amb25318863 [0,1,0,0,1,0|0,0,2]=4 605 B13R1.45 CC(=O)\C=C\[C@H](C)c1ccccc1 Amb25059669 [0,1,0,0,1,0|0,0,2]=4 606 B13R1.45 CC(=S)SCC(=O)c1ccccc1 Amb24309338 [0,1,0,0,1,0|0,2,0]=4 607 B13R1.45 C\C(=C/CC(O)=O)\c1ccc[n]c1 Amb24373182 [0,1,0,0,1,0|2,0,0]=4 608 B13R1.45 C\C(=C/CC(O)=O)\c1ccccc1 Amb25189805 [0,1,0,0,1,0|1,0,0]=3 609 B13R1.45 C\C(=C\CC(C)=O)\c1ccccc1 Amb24392921 [0,1,0,0,1,0|0,0,0]=2 610 B13R1.45 C\C(=C\OC(C)=O)\c1ccccc1 Amb25290986 [0,1,0,0,1,0|0,0,0]=2 611 B13R1.45 C\C(=N/NC(=O)C)\c1ccccc1 Amb1834900 [0,1,0,0,1,0|2,0,0]=4 612 B13R1.45 C\C(=N\CC(O)=O)\c1ccccc1 Amb25294322 [0,1,0,0,1,0|2,0,0]=4 613 B13R1.45 C\C(=N\OC(=O)C)\c1ccccc1 Amb1014467 [0,1,0,0,1,0|1,0,0]=3 614 B13R1.45 ClC(c1ccccc1)CCC(=O)C Amb17402167 [0,1,0,0,1,0|0,0,2]=4 615 B13R1.45 NC(=O)CNC(=N)c1ccccc1 Amb24634798 [0,1,0,0,1,0|2,0,0]=4 616 B13R1.45 NC(=O)NCC(=O)c1ccccc1 Amb24725690 [0,1,0,0,1,0|2,0,0]=4 617 B13R1.45 NC(=O)ONC(=O)c1ccccc1 Amb24635646 [0,1,0,0,1,0|2,0,0]=4 618 B13R1.45 NC(=O)\C=C\C(=O)c1ccccc1 Amb24614775 [0,1,0,0,1,0|1,0,1]=4 619 B13R1.45 N\C(=N/OC(=O)C)\c1ccncc1 Amb16757873 [0,1,0,0,1,0|2,0,0]=4 620 B13R1.45 N\C(=N\OC(=O)C)\c1ccccc1 Amb2228036 [0,1,0,0,1,0|1,0,0]=3 621 B13R1.45 O=C(NCC(=O)S)c1ccccc1 Amb24490432 [0,1,0,0,1,0|2,0,0]=4 622 B13R1.45 O=C(c1ccccc1)CCC(=O)N Amb17233256 [0,1,0,0,1,0|1,0,1]=4 623 B13R1.45 O=C(c1ccccc1)CCC(=O)O Amb1224638 [0,1,0,0,1,0|1,0,1]=4 624 B13R1.45 O=C(c1ccccc1)CNC(=O)C Amb17335159 [0,1,0,0,1,0|1,0,0]=3 625 B13R1.45 O=C(c1ccccc1)NCC(=O)O Amb1006961 [0,1,0,0,1,0|2,0,0]=4 626 B13R1.45 O=C(c1ccccc1)NCC(=O)O Amb17616813 [0,1,0,0,1,0|2,0,0]=4 627 B13R1.45 O=C(c1ccccc1)OCC(=O)O Amb17594607 [0,1,0,0,1,0|2,0,0]=4 628 B13R1.45 O=C(c1ccccc1)\C=C/C(=O)O Amb1016615 [0,1,0,0,1,0|1,0,1]=4 629 B13R1.45 O=C(c1ccccc1)\C=C\C(=O)O Amb1217688 [0,1,0,0,1,0|1,0,1]=4 630 B13R1.45 OC(=O)CCC(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22054406 [0,1,0,0,1,0|1,0,1]=4 631 B13R1.45 OC(=O)CNC(=O)c1ccccc1 Amb1197580 [0,1,0,0,1,0|2,0,0]=4 632 B13R1.45 OC(=O)CNC(=S)c1ccccc1 Amb24309476 [0,1,0,0,1,0|2,0,0]=4 633 B13R1.45 OC(c1ccccc1)COC(=O)N Amb17594650 [0,1,0,0,1,0|1,0,1]=4 634 B13R1.149 CC(=O)CCCc1cccc(c1)Br Amb17255477 [0,1,0,0,1,0|0,0,2]=4 635 B13R1.149 CC(=O)CCCc1cccc(c1)C Amb17233199 [0,1,0,0,1,0|0,0,2]=4 636 B13R1.149 CC(=O)CCCc1cccc(c1)Cl Amb17236502 [0,1,0,0,1,0|0,0,2]=4 637 B13R1.149 CC(=O)CCOc1cccc(c1)Cl Amb17139724 [0,1,0,0,1,0|1,0,1]=4 638 B13R1.149 CC(=O)C\C=C\c1cccc(Cl)c1 Amb25842151 [0,1,0,0,1,0|0,0,0]=2 639 B13R1.149 CC(=O)C\C=C\c1cccc(F)c1 Amb24731445 [0,1,0,0,1,0|0,0,0]=2 640 B13R1.149 CC(=O)N/N=C/c1cccc(O)c1 Amb17798514 [0,1,0,0,1,0|2,0,0]=4 641 B13R1.149 CC(=O)NCCc1cccc(Cl)c1 Amb17791605 [0,1,0,0,1,0|1,0,1]=4 642 B13R1.149 CC(=O)NCCc1cccc(F)c1 Amb24476175 [0,1,0,0,1,0|1,0,1]=4 643 B13R1.149 CC(=O)N\C=C\c1cccc(Cl)c1 Amb24533979 [0,1,0,0,1,0|1,0,0]=3 644 B13R1.149 CC(=O)O\N=C\c1cccc(O)c1 Amb24587363 [0,1,0,0,1,0|1,0,0]=3 645 B13R1.149 CC(C)=C\C=C/c1cccc(Cl)c1 Amb22546762 [0,1,0,0,1,0|1,0,1]=4 646 B13R1.149 Cc1cccc(c1)N\C=C\C(C)=O Amb24466974 [0,1,0,0,1,0|1,0,1]=4 647 B13R1.149 Cc1cccc(c1)\C=C\CC(C)=O Amb24760567 [0,1,0,0,1,0|0,0,0]=2 648 B13R1.149 NC(=O)C\C=C\c1cccc(F)c1 Amb24734780 [0,1,0,0,1,0|1,0,0]=3 649 B13R1.149 OC(=O)CC=Cc1cccc(F)c1 Amb20622489 [0,1,0,0,1,0|1,0,0]=3 650 B13R1.149 OC(=O)C\C=C\c1cccc(Br)c1 Amb23441782 [0,1,0,0,1,0|1,0,0]=3 651 B13R1.149 OC(=O)C\C=C\c1cccc(Cl)c1 Amb23441780 [0,1,0,0,1,0|1,0,0]=3 652 B13R1.149 OC(=O)C\C=C\c1cccc(F)c1 Amb23441778 [0,1,0,0,1,0|1,0,0]=3 653 B13R1.158 CC(=O)CCCc1ccccc1C Amb17233198 [0,1,0,0,1,0|0,0,2]=4 654 B13R1.158 CC(=O)CCCc1ccccc1Cl Amb17236501 [0,1,0,0,1,0|0,0,2]=4 655 B13R1.158 CC(=O)CCCc1ccccc1F Amb17233676 [0,1,0,0,1,0|0,0,2]=4 656 B13R1.158 CC(=O)CCOc1ccccc1Cl Amb17139723 [0,1,0,0,1,0|1,0,1]=4 657 B13R1.158 CC(=O)C\C=C\c1ccccc1Br Amb25155472 [0,1,0,0,1,0|0,0,0]=2 658 B13R1.158 CC(=O)C\C=C\c1ccccc1Cl Amb25322439 [0,1,0,0,1,0|0,0,0]=2 659 B13R1.158 CC(=O)C\C=C\c1ccccc1F Amb25693688 [0,1,0,0,1,0|0,0,0]=2 660 B13R1.158 CC(=O)C\C=C\c1ccccc1O Amb25058690 [0,1,0,0,1,0|0,0,0]=2 661 B13R1.158 CC(=O)C\C=N\c1ccccc1O Amb25373167 [0,1,0,0,1,0|1,0,0]=3 662 B13R1.158 CC(=O)N/N=C/c1ccccc1C Amb17798513 [0,1,0,0,1,0|2,0,0]=4 663 B13R1.158 CC(=O)N/N=C/c1ccccc1I Amb17788101 [0,1,0,0,1,0|2,0,0]=4 664 B13R1.158 CC(=O)NCCc1ccccc1Br Amb13133608 [0,1,0,0,1,0|1,0,1]=4 665 B13R1.158 CC(=O)NCCc1ccccc1C Amb15740396 [0,1,0,0,1,0|1,0,1]=4 666 B13R1.158 CC(=O)NCCc1ccccc1Cl Amb25324158 [0,1,0,0,1,0|1,0,1]=4 667 B13R1.158 CC(=O)NCCc1ccccc1O Amb16982301 [0,1,0,0,1,0|1,0,1]=4 668 B13R1.158 CC(=O)N\C=C\c1ccccc1Cl Amb25328901 [0,1,0,0,1,0|1,0,0]=3 669 B13R1.158 CC(=O)N\C=C\c1ccccc1O Amb24558269 [0,1,0,0,1,0|1,0,0]=3 670 B13R1.158 CC(=O)N\N=C\c1ccccc1F Amb1014386 [0,1,0,0,1,0|2,0,0]=4 671 B13R1.158 CC(=O)N\N=C\c1ccccc1N Amb24628994 [0,1,0,0,1,0|2,0,0]=4 672 B13R1.158 CC(=O)O\C=C\c1ccccc1N Amb24558185 [0,1,0,0,1,0|0,0,0]=2 673 B13R1.158 CC(=O)O\C=C\c1ccccc1O Amb18128101 [0,1,0,0,1,0|0,0,0]=2 674 B13R1.158 CC(=O)O\N=C\c1ccccc1O Amb24492564 [0,1,0,0,1,0|1,0,0]=3 675 B13R1.158 CC(C)=C\C=C/c1ccccc1Br Amb22546598 [0,1,0,0,1,0|1,0,1]=4 676 B13R1.158 CC(C)=C\C=C/c1ccccc1C Amb22546595 [0,1,0,0,1,0|1,0,1]=4 677 B13R1.158 CC(C)=C\C=C/c1ccccc1Cl Amb22546615 [0,1,0,0,1,0|1,0,1]=4 678 B13R1.158 CC(C)=C\C=C/c1ccccc1F Amb22546763 [0,1,0,0,1,0|1,0,1]=4 679 B13R1.158 CC(C)C\C=C/c1ccccc1Br Amb22546777 [0,1,0,0,1,0|1,0,1]=4 680 B13R1.158 CC(C)C\C=C/c1ccccc1F Amb22546764 [0,1,0,0,1,0|1,0,1]=4 681 B13R1.158 CC(C)C\C=C\c1ccccc1N Amb24473874 [0,1,0,0,1,0|1,0,1]=4 682 B13R1.158 CC(N)C\C=C\c1ccccc1O Amb24493921 [0,1,0,0,1,0|1,0,1]=4 683 B13R1.158 Cc1ccccc1NCCC(C)=O Amb24664215 [0,1,0,0,1,0|1,0,1]=4 684 B13R1.158 Cc1ccccc1\C=C/CC(C)=O Amb24492730 [0,1,0,0,1,0|0,0,0]=2 685 B13R1.158 Cc1ccccc1\C=C\CC(C)O Amb25317471 [0,1,0,0,1,0|0,0,2]=4 686 B13R1.158 Cc1ccccc1\C=C\CC(O)=O Amb25362135 [0,1,0,0,1,0|1,0,0]=3 687 B13R1.158 NC(=O)C\N=C\c1ccccc1O Amb25706931 [0,1,0,0,1,0|2,0,0]=4 688 B13R1.158 NC(=O)O\N=C\c1ccccc1O Amb25724987 [0,1,0,0,1,0|2,0,0]=4 689 B13R1.158 OC(=O)CC=Cc1ccccc1F Amb20622523 [0,1,0,0,1,0|1,0,0]=3 690 B13R1.158 OC(=O)C\C=C\c1ccccc1Cl Amb23441779 [0,1,0,0,1,0|1,0,0]=3 691 B13R1.158 OC(=O)C\C=C\c1ccccc1F Amb22262956 [0,1,0,0,1,0|1,0,0]=3 692 B13R1.158 OC(=O)OCCc1ccccc1Cl Amb24079959 [0,1,0,0,1,0|1,0,1]=4 693 B13R1.348 CC(=C)CC(=O)Nc1ccccc1 Amb24759109 [0,1,0,0,1,0|2,0,0]=4 694 B13R1.348 CC(=C)OC(=O)Nc1ccccc1 Amb25121132 [0,1,0,0,1,0|2,0,0]=4 695 B13R1.348 CC(=Cc1ccccc1)C=C(C)C Amb10842055 [0,1,0,0,1,0|1,0,1]=4 696 B13R1.348 CC(=O)/C=C(\C)Cc1ccccc1 Amb17778969 [0,1,0,0,1,0|0,0,2]=4 697 B13R1.348 CC(=O)C/C(C)=C/c1ccccc1 Amb17778970 [0,1,0,0,1,0|0,0,0]=2 698 B13R1.348 CC(=O)CC(=O)Cc1cccc[n]1 Amb24076575 [0,1,0,0,1,0|1,0,1]=4 699 B13R1.348 CC(=O)CC(=O)Nc1cc[n]cc1 Amb18178501 [0,1,0,0,1,0|2,0,0]=4 700 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 Amb22586480 [0,1,0,0,1,0|1,0,0]=3 701 B13R1.348 CC(=O)CC(=S)Nc1ccccc1 Amb25190045 [0,1,0,0,1,0|1,0,0]=3 702 B13R1.348 CC(=O)CN(C)Cc1ccccc1 Amb18808988 [0,1,0,0,1,0|1,0,1]=4 703 B13R1.348 CC(=O)NC(=N)Nc1ccccc1 Amb25046689 [0,1,0,0,1,0|2,0,0]=4 704 B13R1.348 CC(=O)NC(=O)Cc1ccccc1 Amb24073557 [0,1,0,0,1,0|1,0,1]=4 705 B13R1.348 CC(=O)NC(=S)Cc1ccccc1 Amb25689518 [0,1,0,0,1,0|1,0,1]=4 706 B13R1.348 CC(=O)NC(=S)Oc1ccccc1 Amb25758641 [0,1,0,0,1,0|2,0,0]=4 707 B13R1.348 CC(=O)NC(N)Cc1ccccc1 Amb25322191 [0,1,0,0,1,0|1,0,1]=4 708 B13R1.348 CC(=O)N[C@H](C)Cc1ccccc1 Amb24496665 [0,1,0,0,1,0|1,0,1]=4 709 B13R1.348 CC(=O)OC(C)Cc1ccccc1 Amb24323251 [0,1,0,0,1,0|0,0,1]=3 710 B13R1.348 CC(=O)SC(=O)Nc1ccccc1 Amb24396677 [0,1,0,0,1,0|1,1,0]=4 711 B13R1.348 CC(=O)\C=C(\N)/Cc1ccccc1 Amb24739677 [0,1,0,0,1,0|0,0,2]=4 712 B13R1.348 CC(=O)\C=C(\S)/Nc1ccccc1 Amb25840398 [0,1,0,0,1,0|1,0,1]=4 713 B13R1.348 CC(N)C\C(\Br)=C\c1ccccc1 Amb25258493 [0,1,0,0,1,0|1,0,1]=4 714 B13R1.348 CC(N)C\C(\Cl)=C/c1ccccc1 Amb25684851 [0,1,0,0,1,0|1,0,1]=4 715 B13R1.348 CS(=O)CC(=S)Nc1ccccc1 Amb24666671 [0,1,0,0,1,0|2,0,0]=4 716 B13R1.348 C\C(=C/C(C)=O)\Nc1ccccc1 Amb20672001 [0,1,0,0,1,0|1,0,1]=4 717 B13R1.348 C\C(=C/c1ccccc1)\CC(=O)O Amb17594482 [0,1,0,0,1,0|1,0,0]=3 718 B13R1.348 C\C(=C\C(=O)C)\Nc1ccccc1 Amb2386561 [0,1,0,0,1,0|1,0,1]=4 719 B13R1.348 C\C(=C\c1ccccc1)\C=C(C)C Amb10606581 [0,1,0,0,1,0|1,0,1]=4 720 B13R1.348 C\C(\CC(C)N)=C/c1ccccc1 Amb25113467 [0,1,0,0,1,0|1,0,1]=4 721 B13R1.348 C\C(\CC(N)=O)=C/c1ccccc1 Amb22734412 [0,1,0,0,1,0|1,0,0]=3 722 B13R1.348 C\C(\CC(N)=O)=C\c1ccccc1 Amb24603442 [0,1,0,0,1,0|1,0,0]=3 723 B13R1.348 C\C(\CC(O)=O)=C\c1ccccc1 Amb25229524 [0,1,0,0,1,0|1,0,0]=3 724 B13R1.348 C\C(\CN(C)C)=C/c1ccccc1 Amb25058928 [0,1,0,0,1,0|2,0,0]=4 725 B13R1.348 C\C(\C[C@@H](C)O)=C/c1ccccc1 Amb24495452 [0,1,0,0,1,0|0,0,2]=4 726 B13R1.348 C\C(\C[C@H](C)O)=C/c1ccccc1 Amb24576963 [0,1,0,0,1,0|0,0,2]=4 727 B13R1.348 Cl\C(=C/C(=O)C)\Sc1ccccc1 Amb17595760 [0,1,0,0,1,0|1,0,1]=4 728 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 Amb25188019 [0,1,0,0,1,0|2,0,0]=4 729 B13R1.348 NC(=O)CC(=S)Nc1ccccc1 Amb25772797 [0,1,0,0,1,0|2,0,0]=4 730 B13R1.348 NC(=O)OC(=O)Nc1ccccc1 Amb25350415 [0,1,0,0,1,0|2,0,0]=4 731 B13R1.348 O=C(Cc1ccccc1)CC(=O)C Amb15692856 [0,1,0,0,1,0|0,0,1]=3 732 B13R1.348 O=C(Nc1ccccc1)CC(=O)C Amb1210069 [0,1,0,0,1,0|1,0,0]=3 733 B13R1.348 O=C(Nc1ccccc1)CC(=O)O Amb2436726 [0,1,0,0,1,0|2,0,0]=4 734 B13R1.348 O=C(Nc1ccccn1)CC(=O)C Amb1200449 [0,1,0,0,1,0|2,0,0]=4 735 B13R1.348 O=C(Oc1ccccc1)CC(=O)O Amb2417322 [0,1,0,0,1,0|2,0,0]=4 736 B13R1.348 OC(=O)CC(=O)Cc1ccccc1 Amb18128104 [0,1,0,0,1,0|1,0,1]=4 737 B13R1.348 OC(=O)CC(=S)Nc1ccccc1 Amb24470037 [0,1,0,0,1,0|2,0,0]=4 738 B13R1.348 S=C(Nc1ccccc1)NC(=O)C Amb2456399 [0,1,0,0,1,0|2,0,0]=4 739 B13R1.351 CC(=C)C(=O)\C=C\c1ccccc1 Amb24357139 [0,1,0,0,1,0|1,0,1]=4 740 B13R1.351 CC(=O)C(/C)=C\Nc1ccccc1 Amb17778142 [0,1,0,0,1,0|1,0,1]=4 741 B13R1.351 CC(=O)C(=O)CNc1ccccc1 Amb25123358 [0,1,0,0,1,0|2,0,0]=4 742 B13R1.351 CC(=O)C(=O)\C=C\c1ccccc1 Amb24697906 [0,1,0,0,1,0|0,0,1]=3 743 B13R1.351 CC(=O)C(C)C#Cc1ccccc1 Amb24492361 [0,1,0,0,1,0|0,0,2]=4 744 B13R1.351 CC(=O)C(C)CNc1ccccc1 Amb25325974 [0,1,0,0,1,0|1,0,1]=4 745 B13R1.351 CC(=O)C(C)NCc1ccccc1 Amb18127991 [0,1,0,0,1,0|1,0,1]=4 746 B13R1.351 CC(=O)C(C)ONc1ccccc1 Amb24495021 [0,1,0,0,1,0|2,0,0]=4 747 B13R1.351 CC(=O)C(C)\C=C/c1ccccc1 Amb25735093 [0,1,0,0,1,0|0,0,0]=2 748 B13R1.351 CC(=O)C(C)\C=C\c1ccccc1 Amb24655091 [0,1,0,0,1,0|0,0,0]=2 749 B13R1.351 CC(=O)C(Cl)ONc1ccccc1 Amb25858083 [0,1,0,0,1,0|2,0,0]=4 750 B13R1.351 CC(=O)[C@@H](C)\C=C\c1ccccc1 Amb24752492 [0,1,0,0,1,0|0,0,0]=2 751 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 Amb24492590 [0,1,0,0,1,0|1,0,1]=4 752 B13R1.351 CC(=O)[C@H](C)ONc1ccccc1 Amb24492768 [0,1,0,0,1,0|2,0,0]=4 753 B13R1.351 CC(=O)[C@H](C)\C=C\c1ccccc1 Amb24602920 [0,1,0,0,1,0|0,0,0]=2 754 B13R1.351 CC(=O)\C(\O)=C\Nc1ccccc1 Amb24488935 [0,1,0,0,1,0|1,0,1]=4 755 B13R1.351 CC(C(=O)C)OCc1ccccc1 Amb16231123 [0,1,0,0,1,0|1,0,1]=4 756 B13R1.351 CC(C)C(N)C=Cc1ccccc1 Amb23536581 [0,1,0,0,1,0|1,0,1]=4 757 B13R1.351 CC(C)[C@@H](O)\C=C\c1ccccc1 Amb25755349 [0,1,0,0,1,0|1,0,1]=4 758 B13R1.351 CC(C)[C@H](O)\C=C\c1ccccc1 Amb25262853 [0,1,0,0,1,0|1,0,1]=4 759 B13R1.351 CC(N)C(O)\C=C\c1ccccc1 Amb18648065 [0,1,0,0,1,0|1,0,1]=4 760 B13R1.351 CC(\C=C\c1ccccc1)C(C)O Amb25048581 [0,1,0,0,1,0|0,0,2]=4 761 B13R1.351 CC(\C=C\c1ccccc1)C(O)=O Amb18127714 [0,1,0,0,1,0|1,0,0]=3 762 B13R1.351 CC(\N=C\c1ccccc1)C(N)=O Amb24710253 [0,1,0,0,1,0|2,0,0]=4 763 B13R1.351 C[C@@H](N)[C@@H](O)\C=C\c1ccccc1 Amb25843898 [0,1,0,0,1,0|1,0,1]=4 764 B13R1.351 C[C@@H](O)[C@@H](O)\C=C\c1ccccc1 Amb24344665 [0,1,0,0,1,0|0,0,2]=4 765 B13R1.351 C[C@@H](\C=C\c1ccccc1)[C@@H](C)O Amb24495050 [0,1,0,0,1,0|0,0,2]=4 766 B13R1.351 C[C@@H](\N=C/c1ccccc1)C([O-])=O Amb25299159 [0,1,0,0,1,0|2,0,0]=4 767 B13R1.351 C[C@H](N)[C@@H](O)\C=C\c1ccccc1 Amb24557840 [0,1,0,0,1,0|1,0,1]=4 768 B13R1.351 C[C@H](O)C(O)\C=C\c1ccccc1 Amb24569962 [0,1,0,0,1,0|0,0,2]=4 769 B13R1.351 C[C@H](O)[C@H](O)\C=C\c1ccccc1 Amb25755348 [0,1,0,0,1,0|0,0,2]=4 770 B13R1.351 C[C@H](\N=C\c1ccccc1)C(O)=O Amb25124071 [0,1,0,0,1,0|2,0,0]=4 771 B13R1.351 C\C(=C/Cc1ccccc1)\C(C)=O Amb24529690 [0,1,0,0,1,0|0,0,2]=4 772 B13R1.351 NC(=O)C(=O)\C=C\c1ccccc1 Amb25798864 [0,1,0,0,1,0|1,0,1]=4 773 B13R1.351 NC(=O)C(O)\C=C\c1ccccc1 Amb24552951 [0,1,0,0,1,0|1,0,0]=3 774 B13R1.351 N[C@H](\C=C\c1ccccc1)C(O)=O Amb25187708 [0,1,0,0,1,0|1,0,0]=3 775 B13R1.351 O=C(C(=O)O)\C=C\c1ccccc1 Amb16192457 [0,1,0,0,1,0|1,0,1]=4 776 B13R1.351 OC(=O)C(O)\C=C\c1c[n]ccc1 Amb25108233 [0,1,0,0,1,0|2,0,0]=4 777 B13R1.351 OC(C(=O)O)\C=C\c1ccccc1 Amb17594531 [0,1,0,0,1,0|1,0,0]=3 778 B13R1.351 [O-]C(=O)C(=O)C=Cc1ccccc1 Amb22484596 [0,1,0,0,1,0|1,0,1]=4 779 B13R1.513 CC(=O)CCCc1ccc(cc1)Br Amb17255478 [0,1,0,0,1,0|0,0,2]=4 780 B13R1.513 CC(=O)CCCc1ccc(cc1)C Amb17233200 [0,1,0,0,1,0|0,0,2]=4 781 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl Amb17236503 [0,1,0,0,1,0|0,0,2]=4 782 B13R1.513 CC(=O)CCCc1ccc(cc1)F Amb17233677 [0,1,0,0,1,0|0,0,2]=4 783 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl Amb17139725 [0,1,0,0,1,0|1,0,1]=4 784 B13R1.513 CC(=O)CSCc1ccc(Cl)cc1 Amb24064340 [0,1,0,0,1,0|1,0,1]=4 785 B13R1.513 CC(=O)C\C=C\c1ccc(Br)cc1 Amb24553090 [0,1,0,0,1,0|0,0,0]=2 786 B13R1.513 CC(=O)C\C=C\c1ccc(Cl)cc1 Amb22490195 [0,1,0,0,1,0|0,0,0]=2 787 B13R1.513 CC(=O)C\C=C\c1ccc(F)cc1 Amb25326496 [0,1,0,0,1,0|0,0,0]=2 788 B13R1.513 CC(=O)C\C=C\c1ccc(O)cc1 Amb24747691 [0,1,0,0,1,0|0,0,0]=2 789 B13R1.513 CC(=O)N/N=C/c1ccc(Br)cc1 Amb17798515 [0,1,0,0,1,0|2,0,0]=4 790 B13R1.513 CC(=O)N/N=C/c1ccc(F)cc1 Amb17862878 [0,1,0,0,1,0|2,0,0]=4 791 B13R1.513 CC(=O)NCCc1ccc(Br)cc1 Amb24451176 [0,1,0,0,1,0|1,0,1]=4 792 B13R1.513 CC(=O)NCCc1ccc(Cl)cc1 Amb22227659 [0,1,0,0,1,0|1,0,1]=4 793 B13R1.513 CC(=O)NCCc1ccc(cc1)N Amb17138877 [0,1,0,0,1,0|1,0,1]=4 794 B13R1.513 CC(=O)NCOc1ccc(N)cc1 Amb24072944 [0,1,0,0,1,0|2,0,0]=4 795 B13R1.513 CC(=O)N\N=C\c1ccc(cc1)C Amb16224980 [0,1,0,0,1,0|2,0,0]=4 796 B13R1.513 CC(=O)N\N=C\c1ccc(cc1)Cl Amb16224983 [0,1,0,0,1,0|2,0,0]=4 797 B13R1.513 CC(=O)OCCc1ccc(cc1)O Amb17607347 [0,1,0,0,1,0|0,0,1]=3 798 B13R1.513 CC(=O)O\N=C\c1ccc(O)cc1 Amb25302268 [0,1,0,0,1,0|1,0,0]=3 799 B13R1.513 CC(=O)\C=C/Sc1ccc(O)cc1 Amb25712939 [0,1,0,0,1,0|1,0,1]=4 800 B13R1.513 CC(=O)\C=C\C=C1C=CN(C)C=C1 Amb24690566 [0,1,0,0,1,0|1,0,1]=4 801 B13R1.513 CC(=O)\C=C\Nc1ccc(Cl)cc1 Amb25322184 [0,1,0,0,1,0|1,0,1]=4 802 B13R1.513 CC(=O)\C=C\Nc1ccc(O)cc1 Amb25830086 [0,1,0,0,1,0|1,0,1]=4 803 B13R1.513 CC(C)=C\C=C/c1ccc(Cl)cc1 Amb22546620 [0,1,0,0,1,0|1,0,1]=4 804 B13R1.513 CC(C)=C\C=C/c1ccc(F)cc1 Amb22546640 [0,1,0,0,1,0|1,0,1]=4 805 B13R1.513 CC(C)C\C=C/c1ccc(F)cc1 Amb22546602 [0,1,0,0,1,0|1,0,1]=4 806 B13R1.513 CN(C)C\C=C\c1ccc(Cl)cc1 Amb25786545 [0,1,0,0,1,0|2,0,0]=4 807 B13R1.513 CN(C)C\C=C\c1ccc(N)cc1 Amb25313363 [0,1,0,0,1,0|2,0,0]=4 808 B13R1.513 CN(C)C\C=C\c1ccc(O)cc1 Amb24580688 [0,1,0,0,1,0|2,0,0]=4 809 B13R1.513 Cc1ccc(C=C=CC(C)=O)cc1 Amb24402076 [0,1,0,0,1,0|0,0,2]=4 810 B13R1.513 Cc1ccc(CCOC(C)=O)cc1 Amb24100708 [0,1,0,0,1,0|0,0,1]=3 811 B13R1.513 Cc1ccc(C\C=C\C(C)=O)cc1 Amb25179399 [0,1,0,0,1,0|0,0,2]=4 812 B13R1.513 Cc1ccc(\C=C/CC(C)=O)cc1 Amb24492797 [0,1,0,0,1,0|0,0,0]=2 813 B13R1.513 Cc1ccc(\C=C\CC(C)=O)cc1 Amb24447420 [0,1,0,0,1,0|0,0,0]=2 814 B13R1.513 Cc1ccc(\C=C\CC(N)=O)cc1 Amb25839855 [0,1,0,0,1,0|1,0,0]=3 815 B13R1.513 Cc1ccc(\C=C\CN(C)C)cc1 Amb24520666 [0,1,0,0,1,0|2,0,0]=4 816 B13R1.513 Cc1ccc(\C=C\NC(C)=O)cc1 Amb24512796 [0,1,0,0,1,0|1,0,0]=3 817 B13R1.513 Cc1ccc(cc1)NCCC(C)=O Amb25155561 [0,1,0,0,1,0|1,0,1]=4 818 B13R1.513 NC(=O)C\C=C\c1ccc(Cl)cc1 Amb25362148 [0,1,0,0,1,0|1,0,0]=3 819 B13R1.513 NC(=O)C\C=C\c1ccc(F)cc1 Amb24696441 [0,1,0,0,1,0|1,0,0]=3 820 B13R1.513 OC(=O)C\C=C\c1ccc(Br)cc1 Amb18577486 [0,1,0,0,1,0|1,0,0]=3 821 B13R1.513 OC(=O)C\C=C\c1ccc(Cl)cc1 Amb18066407 [0,1,0,0,1,0|1,0,0]=3 822 B13R1.513 OC(=O)C\C=C\c1ccc(F)cc1 Amb18065898 [0,1,0,0,1,0|1,0,0]=3 823 B13R1.513 Oc1ccc(\C=C\CC(O)=O)cc1 Amb18128099 [0,1,0,0,1,0|1,0,0]=3 824 B13R1.513 Oc1ccc(\C=N\CC(O)=O)cc1 Amb24621335 [0,1,0,0,1,0|2,0,0]=4 825 B13R1.3523 CS(=O)(=O)OCCc1ccccc1 Amb22493888 [0,1,0,0,1,0|1,0,1]=4 826 B13R1.3523 C[Si](C)(C)C\C=C\c1ccccc1 Amb21858903 [0,1,0,0,1,0|1,1,0]=4 827 B13R1.3523 ClS(=O)(=O)C\C=C\c1ccccc1 Amb17062340 [0,1,0,0,1,0|2,0,0]=4 828 B13R1.3523 NS(=O)(=O)C\C=C\c1ccccc1 Amb25124950 [0,1,0,0,1,0|2,0,0]=4 829 B13R1.3523 OP(O)(=O)CC=Cc1ccccc1 Amb24325032 [0,1,0,0,1,0|2,0,0]=4 830 B13R1.3523 OP(O)(=O)C\C=C\c1ccccc1 Amb22388864 [0,1,0,0,1,0|2,0,0]=4 831 B13R1.128 CC(=O)CC\C=C\c1c[n](C)cc1 Amb18224579 [0,1,0,0,1,0|2,0,0]=4 832 B13R1.128 CC(=O)CC\C=C\c1cc(Br)c[s]1 Amb18230040 [0,1,0,0,1,0|2,0,0]=4 833 B13R1.128 CC(=O)CC\C=C\c1ccc(Br)[s]1 Amb18230038 [0,1,0,0,1,0|2,0,0]=4 834 B13R1.128 CC(=O)CC\C=C\c1ccc(Cl)[s]1 Amb18225313 [0,1,0,0,1,0|2,0,0]=4 835 B15R1.131 Cc1ccccc1CNCCOC(C)=O Amb18929032 [0,1,0,0,0,1|0,0,2]=4 836 B15R1.871 CC(=O)OCCCOc1ccc(Br)cc1 Amb22504602 [0,1,0,0,0,1|0,0,2]=4 837 B15R1.871 CC(=O)OCCNCc1ccc(Cl)cc1 Amb18929160 [0,1,0,0,0,1|0,0,2]=4 838 B15R1.871 Cc1ccc(CNCCOC(C)=O)cc1 Amb18929213 [0,1,0,0,0,1|0,0,2]=4 839 B15R1.962 CCC(=O)NOCCOc1ccccc1 Amb16793654 [0,1,0,0,0,1|1,0,1]=4 840 B15R1.962 CCC(=O)OCCNCc1ccccc1 Amb18266491 [0,1,0,0,0,1|0,0,2]=4 841 B15R1.962 COC(=O)NOCCOc1ccccc1 Amb16793706 [0,1,0,0,0,1|1,0,1]=4 842 B15R1.1081 CC(=O)OCCN(C)Cc1ccccc1 Amb24733910 [0,1,0,0,0,1|0,0,2]=4 843 B15R1.1081 O=C(Nc1ccccc1)CCNC(=O)C Amb16865270 [0,1,0,0,0,1|1,0,1]=4 844 B15R1.1081 O=C(Nc1ccccc1)COCC(=O)N Amb1829496 [0,1,0,0,0,1|2,0,0]=4 845 B15R1.1081 O=C(Nc1ccccc1)COCC(=O)O Amb1086645 [0,1,0,0,0,1|2,0,0]=4 846 B15R1.3664 CC(=C)C(=O)OC\C=C\c1ccccc1 Amb17933978 [0,1,0,0,0,1|1,0,0]=3 847 B15R1.3664 CC(C)C(=O)OC\C=C\c1ccccc1 Amb22353516 [0,1,0,0,0,1|1,0,1]=4 848 B15R1.3664 N[C@@H](CS\C=C/c1ccccc1)C(O)=O Amb22466332 [0,1,0,0,0,1|2,0,0]=4 849 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 Amb25712387 [0,1,0,0,0,1|1,0,1]=4 850 B15R1.5919 CC(=O)NCC(=O)OCc1ccccc1 Amb25277285 [0,1,0,0,0,1|1,0,1]=4 851 B15R1.5919 CC(=O)ONC(=O)OCc1ccccc1 Amb24323244 [0,1,0,0,0,1|1,0,1]=4 852 B15R1.5919 O=C(CCC(=O)C)NCc1ccccc1 Amb16886463 [0,1,0,0,0,1|1,0,1]=4 853 B15R1.5919 O=C(\C=C\c1ccccc1)CCC(=O)O Amb2406416 [0,1,0,0,0,1|2,0,0]=4 854 B15R1.5919 O=C(\C=C\c1ccccc1)OCC(=O)N Amb1673092 [0,1,0,0,0,1|1,0,1]=4 855 B15R1.9084 CC(=O)OC(C)CNCc1ccccc1 Amb18929272 [0,1,0,0,0,1|0,0,2]=4 856 B15R1.9084 N[C@@H](C\C=C\c1ccccc1)CC(O)=O Amb22746281 [0,1,0,0,0,1|2,0,0]=4 857 B15R1.120 CC(=O)CCC(=O)Nc1cc(I)ccc1 Amb25710985 [0,2,0,0,0,0|2,0,0]=4 858 B15R1.120 CC(=O)NCC(=O)Nc1cccc(I)c1 Amb22266587 [0,2,0,0,0,0|2,0,0]=4 859 B15R1.120 O=C(Nc1cccc(c1)Br)CCC(=O)C Amb16886549 [0,2,0,0,0,0|2,0,0]=4 860 B15R1.120 O=C(Nc1cccc(c1)C)CCC(=O)C Amb16886507 [0,2,0,0,0,0|2,0,0]=4 861 B15R1.120 O=C(Nc1cccc(c1)C)COC(=O)C Amb1649478 [0,2,0,0,0,0|1,0,0]=3 862 B15R1.120 O=C(Nc1cccc(c1)Cl)CCC(=O)C Amb16886522 [0,2,0,0,0,0|2,0,0]=4 863 B15R1.120 O=C(Nc1cccc(c1)Cl)COC(=O)C Amb2293221 [0,2,0,0,0,0|1,0,0]=3 864 B15R1.120 O=C(Nc1cccc(c1)F)CCC(=O)C Amb16886548 [0,2,0,0,0,0|2,0,0]=4 865 B15R1.123 OC(=O)CC\C=C\c1cccc(c1C)C Amb17238113 [0,2,0,0,0,0|2,0,0]=4 866 B15R1.888 CC(=O)CC\C=C\c1cc(F)c(F)cc1 Amb18866094 [0,2,0,0,0,0|1,0,0]=3 867 B15R1.888 CC(=O)CC\C=C\c1ccc(F)c(Cl)c1 Amb18867758 [0,2,0,0,0,0|1,0,0]=3 868 B15R1.888 Cc1cc(\C=C\CCC(C)=O)ccc1C Amb18864690 [0,2,0,0,0,0|1,0,0]=3 869 B15R1.888 Cc1cc(\C=C\CCC(C)=O)ccc1F Amb18865435 [0,2,0,0,0,0|1,0,0]=3 870 B15R1.888 OC(=O)CC\C=C\c1ccc(c(c1)C)C Amb17238092 [0,2,0,0,0,0|2,0,0]=4 871 B15R1.888 OC(=O)CC\C=C\c1ccc(c(c1)C)F Amb17239723 [0,2,0,0,0,0|2,0,0]=4 872 B15R1.888 OC(=O)CC\C=C\c1ccc(c(c1)F)F Amb17241108 [0,2,0,0,0,0|2,0,0]=4 873 B15R1.5448 OC(=O)CC\C=C\c1cc(C)cc(c1)C Amb17238110 [0,2,0,0,0,0|2,0,0]=4 874 B15R1.5448 OC(=O)CC\C=C\c1cc(F)cc(c1)F Amb17241111 [0,2,0,0,0,0|2,0,0]=4 875 B15R1.8273 CC(=O)CCNC(=O)c1cccc(c1)Br Amb17102887 [0,2,0,0,0,0|2,0,0]=4 876 B15R1.8273 CC(=O)CCNC(=O)c1cccc(c1)C Amb17102881 [0,2,0,0,0,0|2,0,0]=4 877 B15R1.8273 CC(=O)CCNC(=O)c1cccc(c1)Cl Amb17102916 [0,2,0,0,0,0|2,0,0]=4 878 B15R1.8273 CC(=O)CCNC(=O)c1cccc(c1)F Amb17102884 [0,2,0,0,0,0|2,0,0]=4 879 B15R1.8273 OC(=O)CC\C=C(\c1cccc(c1)C)/C Amb17238107 [0,2,0,0,0,0|2,0,0]=4 880 B15R1.8273 OC(=O)CC\C=C(\c1cccc(c1)Cl)/C Amb17246769 [0,2,0,0,0,0|2,0,0]=4 881 B15R1.8273 OC(=O)CC\C=C(\c1cccc(c1)F)/C Amb17239733 [0,2,0,0,0,0|2,0,0]=4 882 B15R1.8448 CC(=O)CC\C=C\c1cc(Cl)ccc1F Amb18867759 [0,2,0,0,0,0|1,0,0]=3 883 B15R1.8448 CC(=O)CC\C=C\c1cc(F)ccc1F Amb18866093 [0,2,0,0,0,0|1,0,0]=3 884 B15R1.8448 Cc1cc(\C=C\CCC(C)=O)c(C)cc1 Amb18864691 [0,2,0,0,0,0|1,0,0]=3 885 B15R1.8448 OC(=O)CC\C=C\c1cc(C)ccc1C Amb17238093 [0,2,0,0,0,0|2,0,0]=4 886 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1I Amb25089023 [0,2,0,0,0,0|2,0,0]=4 887 B15R1.256 CC(=O)NCC(=O)Nc1ccccc1I Amb22266597 [0,2,0,0,0,0|2,0,0]=4 888 B15R1.256 O=C(Nc1ccccc1Br)CCC(=O)C Amb17363517 [0,2,0,0,0,0|2,0,0]=4 889 B15R1.256 O=C(Nc1ccccc1C)CCC(=O)C Amb16886506 [0,2,0,0,0,0|2,0,0]=4 890 B15R1.256 O=C(Nc1ccccc1C)COC(=O)C Amb1649446 [0,2,0,0,0,0|1,0,0]=3 891 B15R1.256 O=C(Nc1ccccc1Cl)CCC(=O)C Amb17343485 [0,2,0,0,0,0|2,0,0]=4 892 B15R1.256 O=C(Nc1ccccc1F)CCC(=O)C Amb16886520 [0,2,0,0,0,0|2,0,0]=4 893 B15R1.256 O=C(Nc1ccccc1F)COC(=O)C Amb1649902 [0,2,0,0,0,0|1,0,0]=3 894 B15R1.5821 CC(=O)CC\C=C\c1ccc(F)cc1F Amb18866095 [0,2,0,0,0,0|1,0,0]=3 895 B15R1.5821 Cc1cc(C)c(\C=C\CCC(C)=O)cc1 Amb18864692 [0,2,0,0,0,0|1,0,0]=3 896 B15R1.5821 OC(=O)CC\C=C\c1ccc(cc1C)C Amb17238096 [0,2,0,0,0,0|2,0,0]=4 897 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Br Amb17102886 [0,2,0,0,0,0|2,0,0]=4 898 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1C Amb17102880 [0,2,0,0,0,0|2,0,0]=4 899 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Cl Amb17102915 [0,2,0,0,0,0|2,0,0]=4 900 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1F Amb17102883 [0,2,0,0,0,0|2,0,0]=4 901 B15R1.8019 OC(=O)CC\C=C(\c1ccccc1C)/C Amb17238103 [0,2,0,0,0,0|2,0,0]=4 902 B15R1.8019 OC(=O)CC\C=C(\c1ccccc1Cl)/C Amb17246765 [0,2,0,0,0,0|2,0,0]=4 903 B15R1.8019 OC(=O)CC\C=C(\c1ccccc1F)/C Amb17239729 [0,2,0,0,0,0|2,0,0]=4 904 B15R1.882 CC(=O)CCNC(=O)c1ccc(cc1)C Amb17102882 [0,2,0,0,0,0|2,0,0]=4 905 B15R1.882 CC(=O)NCCC(=O)c1ccc(Br)cc1 Amb24086025 [0,2,0,0,0,0|1,0,1]=4 906 B15R1.882 C\C(=C/CCC(=O)O)\c1ccc(cc1)Br Amb17273828 [0,2,0,0,0,0|2,0,0]=4 907 B15R1.882 C\C(=C/CCC(=O)O)\c1ccc(cc1)C Amb17238090 [0,2,0,0,0,0|2,0,0]=4 908 B15R1.882 C\C(=C/CCC(=O)O)\c1ccc(cc1)Cl Amb17246754 [0,2,0,0,0,0|2,0,0]=4 909 B15R1.882 C\C(=C/CCC(=O)O)\c1ccc(cc1)F Amb17239722 [0,2,0,0,0,0|2,0,0]=4 910 B15R1.882 O=C(c1ccc(cc1)Br)NCCC(=O)C Amb17102888 [0,2,0,0,0,0|2,0,0]=4 911 B15R1.882 O=C(c1ccc(cc1)Cl)NCCC(=O)C Amb17102917 [0,2,0,0,0,0|2,0,0]=4 912 B15R1.882 O=C(c1ccc(cc1)F)NCCC(=O)C Amb17102885 [0,2,0,0,0,0|2,0,0]=4 913 B15R1.882 O=C(c1ccc(cc1)S)OCOC(=O)C Amb17616839 [0,2,0,0,0,0|1,0,0]=3 914 B15R1.959 CNC(=O)CCNC(=O)c1ccccc1 Amb1008102 [0,2,0,0,0,0|2,0,0]=4 915 B15R1.1078 CC(=O)OCC(=O)N(C)c1ccccc1 Amb24065160 [0,2,0,0,0,0|1,0,0]=3 916 B15R1.1078 CN(c1ccccc1)C(=O)CCC(=O)C Amb16886509 [0,2,0,0,0,0|2,0,0]=4 917 B15R1.111 CC(=O)NCC(=O)Nc1ccc(I)cc1 Amb22266579 [0,2,0,0,0,0|2,0,0]=4 918 B15R1.111 CC(=O)OCC(=O)Sc1ccc(cc1)C Amb2447235 [0,2,0,0,0,0|1,0,0]=3 919 B15R1.111 O=C(Nc1ccc(cc1)Br)CCC(=O)C Amb17363516 [0,2,0,0,0,0|2,0,0]=4 920 B15R1.111 O=C(Nc1ccc(cc1)C)CCC(=O)C Amb16886508 [0,2,0,0,0,0|2,0,0]=4 921 B15R1.111 O=C(Nc1ccc(cc1)Cl)CCC(=O)C Amb16886523 [0,2,0,0,0,0|2,0,0]=4 922 B15R1.111 O=C(Nc1ccc(cc1)Cl)COC(=O)C Amb1649494 [0,2,0,0,0,0|1,0,0]=3 923 B15R1.111 O=C(Nc1ccc(cc1)F)CCC(=O)C Amb16886521 [0,2,0,0,0,0|2,0,0]=4 924 B15R1.111 O=C(Nc1ccc(cc1)I)COC(=O)C Amb2245240 [0,2,0,0,0,0|1,0,0]=3 925 B15R1.964 CCC(=O)O\N=C(/N)\Cc1ccccc1 Amb23247786 [0,2,0,0,0,0|1,0,1]=4 926 B15R1.964 COC(=O)CCC(=O)Oc1ccccc1 Amb17339000 [0,2,0,0,0,0|2,0,0]=4 927 B15R1.964 O=C(CCl)NCC(=O)Nc1ccccc1 Amb24115196 [0,2,0,0,0,0|2,0,0]=4 928 B15R1.4 O=Cc1ccc(cc1)CCCOC(=O)C Amb10560133 [0,2,0,0,0,0|0,0,2]=4 929 B15R1.112 CC(=O)N(C)C\C=C\c1ccc(Br)cc1 Amb24265136 [0,2,0,0,0,0|1,0,0]=3 930 B15R1.741 COC(=O)CC(N)/C=C/c1ccccc1 Amb17779495 [0,2,0,0,0,0|1,0,0]=3 931 B15R1.778 CCCC(=O)OCC=Cc1ccccc1 Amb24323618 [0,2,0,0,0,0|0,0,0]=2 932 B15R1.778 CCCC(=O)OCCCc1ccccc1 Amb22732786 [0,2,0,0,0,0|0,0,2]=4 933 B15R1.778 CCCC(=O)OCCOc1ccccc1 Amb21964300 [0,2,0,0,0,0|1,0,1]=4 934 B15R1.778 N#CCC(=O)OCCCc1ccccc1 Amb17210530 [0,2,0,0,0,0|0,0,2]=4 935 B15R1.778 N#CCC(=O)OCCOc1ccccc1 Amb17210529 [0,2,0,0,0,0|1,0,1]=4 936 B15R1.778 O=C(CCBr)OCCCc1ccccc1 Amb24094183 [0,2,0,0,0,0|0,0,2]=4 937 B15R1.1321 C\C(=C\C=C\c1ccccc1)\C(=O)OC Amb20248522 [0,2,0,0,0,0|1,0,1]=4 938 B15R1.5336 CC(=O)O[C@H](CCc1ccccc1)C#N Amb22225168 [0,2,0,0,0,0|0,0,2]=4 939 B15R1.5336 NC(=O)NC(C=Cc1ccccc1)C#N Amb22443298 [0,2,0,0,0,0|2,0,0]=4 940 B13R1.893 CC(=O)OCc1cc(Br)ccc1Cl Amb24625180 [0,0,1,1,0,0|2,0,0]=4 941 B13R1.893 CC(=O)OCc1cc(Br)ccc1F Amb24730977 [0,0,1,1,0,0|2,0,0]=4 942 B13R1.893 CC(=O)OCc1cc(Br)ccc1I Amb25739616 [0,0,1,1,0,0|2,0,0]=4 943 B13R1.893 CC(=O)OCc1cc(Cl)ccc1Br Amb25832507 [0,0,1,1,0,0|2,0,0]=4 944 B13R1.893 CC(=O)OCc1cc(Cl)ccc1F Amb25734145 [0,0,1,1,0,0|2,0,0]=4 945 B13R1.893 CC(=O)OCc1cc(F)ccc1Cl Amb24733092 [0,0,1,1,0,0|2,0,0]=4 946 B13R1.893 CC(=O)OCc1cc(N)ccc1C Amb25258379 [0,0,1,1,0,0|1,0,1]=4 947 B13R1.893 CC(=O)OCc1cc(N)ccc1O Amb25765295 [0,0,1,1,0,0|2,0,0]=4 948 B13R1.893 CC(=O)OCc1cc(O)ccc1I Amb25036098 [0,0,1,1,0,0|2,0,0]=4 949 B13R1.893 CC(=O)OCc1cc(O)ccc1O Amb25205795 [0,0,1,1,0,0|2,0,0]=4 950 B13R1.893 Cc1ccc(Br)cc1COC(C)=O Amb25822793 [0,0,1,1,0,0|1,0,1]=4 951 B13R1.643 CC(=O)NCc1cccc(c1)C=O Amb25111103 [0,0,1,1,0,0|2,0,0]=4 952 B13R1.643 CC(=O)OCc1cc(ccc1)C#N Amb24437890 [0,0,1,1,0,0|1,0,1]=4 953 B13R1.90 CC(=O)NCc1ccccc1C=C Amb24724840 [0,0,1,1,0,0|1,0,0]=3 954 B13R1.90 CC(=O)OCc1ccccc1C#N Amb22047886 [0,0,1,1,0,0|1,0,1]=4 955 B13R1.90 CC(=O)\C=C\c1ccccc1C=C Amb25807551 [0,0,1,1,0,0|1,0,1]=4 956 B13R1.572 CC(=O)c1ccccc1\C=C\C=C Amb25723210 [0,0,1,1,0,0|1,0,1]=4 957 B13R1.1022 NC(=O)CCC=1C=CC=CC=CC1 Amb24536330 [0,0,1,1,0,0|2,0,0]=4 958 B13R1.1022 OC(=O)CCC=1C=CC=CC=CC1 Amb24732567 [0,0,1,1,0,0|2,0,0]=4 959 B13R2.1 CCO[n]1ccc2ccccc12 Amb25830466 [1,0,0,1,0,0|1,0,1]=4 960 B13R2.1 O=C\C=C\1/C=Cc2ccccc21 Amb18125977 [1,0,0,1,0,0|1,0,1]=4 961 B13R2.3 C1C=C(CCO1)c2ccccc2 Amb21960770 [1,0,0,1,0,0|0,0,1]=3 962 B13R2.3 C1NCCC=C1c2ccccc2 Amb18645223 [1,0,0,1,0,0|2,0,0]=4 963 B13R2.3 N1CCC(=CC1)c2ccccc2 Amb1153094 [1,0,0,1,0,0|1,0,1]=4 964 B13R2.15 Brc1occc1c2ccccc2 Amb13884539 [1,0,0,1,0,0|1,0,1]=4 965 B13R2.15 Cc1[n][s]cc1-c2ccccc2 Amb24616307 [1,0,0,1,0,0|2,0,0]=4 966 B13R2.15 Cc1[n]occ1-c2ccccc2 Amb24707807 [1,0,0,1,0,0|2,0,0]=4 967 B13R2.15 Cc1o[n]cc1-c2cccc[n]2 Amb25323397 [1,0,0,1,0,0|2,0,0]=4 968 B13R2.15 Clc1o[n]cc1-c2ccccc2 Amb25267862 [1,0,0,1,0,0|2,0,0]=4 969 B13R2.15 Nc1oncc1c2ccccc2 Amb2384414 [1,0,0,1,0,0|2,0,0]=4 970 B13R2.15 O=C1CCC=C1c2cc[n]cc2 Amb25064209 [1,0,0,1,0,0|2,0,0]=4 971 B13R2.15 O=C1CCC=C1c2ccc[n]c2 Amb24658086 [1,0,0,1,0,0|2,0,0]=4 972 B13R2.15 O=C1CCC=C1c2cccc[n]2 Amb25307698 [1,0,0,1,0,0|2,0,0]=4 973 B13R2.15 O=C1CCC=C1c2ccccc2 Amb24099094 [1,0,0,1,0,0|1,0,0]=3 974 B13R2.15 O=C1N=NC=C1c2ccccc2 Amb24122127 [1,0,0,1,0,0|2,0,0]=4 975 B13R2.15 O=C1OCCC1c2ccccc2 Amb10606603 [1,0,0,1,0,0|0,0,2]=4 976 B13R2.15 O=C1OCOC1c2ccccc2 Amb24497607 [1,0,0,1,0,0|1,0,1]=4 977 B13R2.15 O=C1ON=S=C1c2ccccc2 Amb17836463 [1,0,0,1,0,0|2,0,0]=4 978 B13R2.17 CC1OC1\C=C\c2ccccc2 Amb25328517 [1,0,0,1,0,0|0,0,1]=3 979 B13R2.27 O=C/1C=C\C1=C/c2ccccc2 Amb24544610 [1,0,0,1,0,0|1,0,1]=4 980 B13R2.27 O=C/1C=C\C1=C\c2ccccc2 Amb25142591 [1,0,0,1,0,0|1,0,1]=4 981 B13R2.27 O=C/1CC\C1=C/c2ccccc2 Amb25366584 [1,0,0,1,0,0|1,0,0]=3 982 B13R2.27 O=C/1CS\C1=C/c2ccccc2 Amb24450518 [1,0,0,1,0,0|2,0,0]=4 983 B13R2.27 O=C/1CS\C1=C\c2ccccc2 Amb17594489 [1,0,0,1,0,0|2,0,0]=4 984 B13R2.27 O=C/1NC\C1=C/c2ccccc2 Amb24547036 [1,0,0,1,0,0|1,0,0]=3 985 B13R2.50 O=CC/1C\C1=C\c2ccccc2 Amb24729603 [1,0,0,1,0,0|1,0,0]=3 986 B13R2.64 C/1NCC\C1=C\c2ccccc2 Amb25731960 [1,0,0,1,0,0|1,0,1]=4 987 B13R2.64 C1CCC(=Cc2ccccc2)C1 Amb10606582 [1,0,0,1,0,0|1,0,1]=4 988 B13R2.1613 O=CC1OC=Cc2ccccc21 Amb24078411 [1,0,0,1,0,0|2,0,0]=4 989 B13R2.1613 O=CN1CC=Cc2ccccc12 Amb24060063 [1,0,0,1,0,0|1,0,0]=3 990 B13R2.5252 O=C1C=CC=Cc2ccccc21 Amb22543219 [1,0,0,1,0,0|1,0,1]=4 991 B13R2.5252 O=C1CNC=Cc2ccccc21 Amb25798237 [1,0,0,1,0,0|2,0,0]=4 992 B13R2.5252 O=C1NCC=Cc2ccccc21 Amb24386486 [1,0,0,1,0,0|1,0,0]=3 993 B13R2.5252 O=C1NCC=Nc2ccccc21 Amb23592207 [1,0,0,1,0,0|2,0,0]=4 994 B13R2.5252 O=C1OCCCc2ccccc21 Amb24415736 [1,0,0,1,0,0|0,0,2]=4 995 B13R2.5252 O=c1ccccc2c1cccc2 Amb16204192 [1,0,0,1,0,0|1,0,1]=4 996 B13R2.10 Brc1occ(c1)c2ccccc2 Amb10600637 [0,0,0,1,1,0|1,0,1]=4 997 B13R2.10 CC1=NC(CO1)c2ccccc2 Amb24754160 [0,0,0,1,1,0|1,0,1]=4 998 B13R2.10 CC=1CN=C(N1)c2ccccc2 Amb24079456 [0,0,0,1,1,0|2,0,0]=4 999 B13R2.10 CN1CC(=CC1)c2ccccc2 Amb22235338 [0,0,0,1,1,0|2,0,0]=4 1000 B13R2.10 CN1CC(=CC1)c2ccccc2 Amb25326815 [0,0,0,1,1,0|2,0,0]=4 1001 B13R2.10 Cc1[n]cc([s]1)-c2ccccc2 Amb22474430 [0,0,0,1,1,0|1,1,0]=4 1002 B13R2.10 Cc1cc(c[nH]1)-c2ccccc2 Amb22549409 [0,0,0,1,1,0|2,0,0]=4 1003 B13R2.10 Cc1ccc([nH]1)c2ccccc2 Amb17232206 [0,0,0,1,1,0|1,0,1]=4 1004 B13R2.10 Cc1ccc(o1)-c2ccccc2 Amb25743959 [0,0,0,1,1,0|0,0,2]=4 1005 B13R2.10 Cc1occ(n1)c2ccccc2 Amb17400054 [0,0,0,1,1,0|1,0,0]=3 1006 B13R2.10 Cc1onc(c1)c2ccccc2 Amb10553849 [0,0,0,1,1,0|2,0,0]=4 1007 B13R2.10 ClC1CC(=CC1)c2ccccc2 Amb24374584 [0,0,0,1,1,0|1,0,1]=4 1008 B13R2.10 Clc1[n]c(co1)-c2ccccc2 Amb22370822 [0,0,0,1,1,0|2,0,0]=4 1009 B13R2.10 Ic1[n]c(co1)-c2ccccc2 Amb25095972 [0,0,0,1,1,0|2,0,0]=4 1010 B13R2.10 Nc1[n]c(co1)-c2ccccc2 Amb22757221 [0,0,0,1,1,0|2,0,0]=4 1011 B13R2.10 Nc1occ(c1)c2ccccc2 Amb10600638 [0,0,0,1,1,0|1,0,1]=4 1012 B13R2.10 Nc1occ(n1)c2ccccc2 Amb17400068 [0,0,0,1,1,0|2,0,0]=4 1013 B13R2.10 O=C1C=C(CO1)c2ccccc2 Amb24633865 [0,0,0,1,1,0|0,0,1]=3 1014 B13R2.10 O=C1CC(=CN1)c2ccccc2 Amb24066196 [0,0,0,1,1,0|1,0,0]=3 1015 B13R2.10 O=C1CC(=CO1)c2ccccc2 Amb25697090 [0,0,0,1,1,0|0,0,0]=2 1016 B13R2.10 O=C1CC(=NO1)c2c[n]ccc2 Amb22496083 [0,0,0,1,1,0|2,0,0]=4 1017 B13R2.10 O=C1CC=C(N1)c2ccccc2 Amb25130705 [0,0,0,1,1,0|1,0,0]=3 1018 B13R2.10 O=C1CC=C(O1)c2ccccc2 Amb10570673 [0,0,0,1,1,0|1,0,0]=3 1019 B13R2.10 O=C1CCC(=C1)c2ccccc2 Amb10669546 [0,0,0,1,1,0|0,0,2]=4 1020 B13R2.10 O=C1CCC(C1)c2ccccc2 Amb17138497 [0,0,0,1,1,0|0,0,2]=4 1021 B13R2.10 O=C1CN(C=N1)c2ccccc2 Amb24064867 [0,0,0,1,1,0|2,0,0]=4 1022 B13R2.10 O=C1CN(CN1)c2ccccc2 Amb24079614 [0,0,0,1,1,0|2,0,0]=4 1023 B13R2.10 O=C1CN(NO1)c2ccccc2 Amb25736264 [0,0,0,1,1,0|2,0,0]=4 1024 B13R2.10 O=C1CN=C(N1)c2ccccc2 Amb17842816 [0,0,0,1,1,0|2,0,0]=4 1025 B13R2.10 O=C1CNC(C1)c2ccccc2 Amb23437185 [0,0,0,1,1,0|1,0,1]=4 1026 B13R2.10 O=C1COC(=C1)c2ccccc2 Amb24090252 [0,0,0,1,1,0|1,0,1]=4 1027 B13R2.10 O=C1COC(C1)c2ccccc2 Amb25830079 [0,0,0,1,1,0|1,0,1]=4 1028 B13R2.10 O=C1CSC(=N1)c2ccccc2 Amb16231550 [0,0,0,1,1,0|2,0,0]=4 1029 B13R2.10 O=C1CSC(=N1)c2ccccc2 Amb2384341 [0,0,0,1,1,0|2,0,0]=4 1030 B13R2.10 O=C1CSC(C1)c2ccccc2 Amb25702041 [0,0,0,1,1,0|1,0,1]=4 1031 B13R2.10 O=C1C[C@@H](CC1)c2ccccc2 Amb24323281 [0,0,0,1,1,0|0,0,2]=4 1032 B13R2.10 O=C1C[C@@H](CN1)c2ccccc2 Amb23401452 [0,0,0,1,1,0|1,0,1]=4 1033 B13R2.10 O=C1C[C@H](CC1)c2ccccc2 Amb24484347 [0,0,0,1,1,0|0,0,2]=4 1034 B13R2.10 O=C1C[C@H](CN1)c2ccccc2 Amb25277165 [0,0,0,1,1,0|1,0,1]=4 1035 B13R2.10 O=C1NC(=CN1)c2ccccc2 Amb19516863 [0,0,0,1,1,0|2,0,0]=4 1036 B13R2.10 O=C1NC(=CS1)c2ccccc2 Amb18808971 [0,0,0,1,1,0|1,1,0]=4 1037 B13R2.10 O=C1NC(=NO1)c2ccccc2 Amb18788105 [0,0,0,1,1,0|2,0,0]=4 1038 B13R2.10 O=C1NC=C(S1)c2ccccc2 Amb18808972 [0,0,0,1,1,0|2,0,0]=4 1039 B13R2.10 O=C1NCC(C1)c2ccccc2 Amb1772919 [0,0,0,1,1,0|1,0,1]=4 1040 B13R2.10 O=C1ON=C(C1)c2ccncc2 Amb2405318 [0,0,0,1,1,0|2,0,0]=4 1041 B13R2.10 O=C1SC(=CS1)c2ccccc2 Amb21993101 [0,0,0,1,1,0|1,1,0]=4 1042 B13R2.10 O=c1cc([nH]o1)-c2ccccc2 Amb24062192 [0,0,0,1,1,0|1,0,1]=4 1043 B13R2.10 OC1CC(=CC1)c2ccccc2 Amb25057775 [0,0,0,1,1,0|0,0,2]=4 1044 B13R2.10 Oc1[n]c(co1)-c2ccccc2 Amb22370821 [0,0,0,1,1,0|1,0,1]=4 1045 B13R2.10 Sc1[n]c(co1)-c2ccccc2 Amb19943960 [0,0,0,1,1,0|1,1,0]=4 1046 B13R2.31 O=C1CC(=C1)Nc2ccccc2 Amb24434908 [0,0,0,1,1,0|1,0,1]=4 1047 B13R2.31 O=C1CC(C1)Oc2ccccc2 Amb23439309 [0,0,0,1,1,0|1,0,1]=4 1048 B13R2.31 O=C1CC(Cc2ccccc2)C1 Amb23401474 [0,0,0,1,1,0|0,0,2]=4 1049 B13R2.31 O=C1CN(C1)Cc2ccccc2 Amb10602421 [0,0,0,1,1,0|1,0,1]=4 1050 B13R2.31 O=C1C[C@@H](N1)Sc2ccccc2 Amb25119229 [0,0,0,1,1,0|2,0,0]=4 1051 B13R2.31 O=C1C[C@H](Cc2ccccc2)N1 Amb24757761 [0,0,0,1,1,0|1,0,1]=4 1052 B13R2.72 CC(=C)[n]1ccc2ccccc12 Amb25714711 [0,0,0,1,1,0|2,0,0]=4 1053 B13R2.72 CC(=O)C1C=Cc2ccccc21 Amb25735092 [0,0,0,1,1,0|0,0,0]=2 1054 B13R2.72 CC(=O)C1CCc2ccccc21 Amb24400099 [0,0,0,1,1,0|0,0,2]=4 1055 B13R2.72 CC(=O)C1CNc2ccccc21 Amb24393046 [0,0,0,1,1,0|1,0,1]=4 1056 B13R2.72 CC(=O)C1COc2ccccc21 Amb23586289 [0,0,0,1,1,0|1,0,1]=4 1057 B13R2.72 CC(=O)C1CSc2ccccc21 Amb24435646 [0,0,0,1,1,0|1,0,1]=4 1058 B13R2.72 CC(=O)[C@@H]1CCc2ccccc21 Amb25834379 [0,0,0,1,1,0|0,0,2]=4 1059 B13R2.72 CC(=O)[C@H]1CCc2ccccc21 Amb25756942 [0,0,0,1,1,0|0,0,2]=4 1060 B13R2.72 CC(=O)[n]1[n]cc2ccccc12 Amb22235128 [0,0,0,1,1,0|2,0,0]=4 1061 B13R2.72 CC(=O)[n]1ccc2c[n]ccc12 Amb25151002 [0,0,0,1,1,0|2,0,0]=4 1062 B13R2.72 CC(=O)[n]1ccc2cc[n]cc12 Amb24331013 [0,0,0,1,1,0|2,0,0]=4 1063 B13R2.72 CC(=O)c1ccc2cccc[n]21 Amb18149670 [0,0,0,1,1,0|1,0,1]=4 1064 B13R2.72 CC(=O)c1coc2ccccc12 Amb19887568 [0,0,0,1,1,0|1,0,1]=4 1065 B13R2.72 CC(=O)c1occ2ccccc21 Amb18199846 [0,0,0,1,1,0|1,0,1]=4 1066 B13R2.72 CC(=O)n1ccc2c1nccc2 Amb13884921 [0,0,0,1,1,0|2,0,0]=4 1067 B13R2.72 C[C@@H](O)[C@@H]1C=Cc2ccccc21 Amb24550626 [0,0,0,1,1,0|0,0,2]=4 1068 B13R2.72 C[C@H](Cl)[C@@H]1C=Cc2ccccc21 Amb25275035 [0,0,0,1,1,0|1,0,1]=4 1069 B13R2.72 NC(=O)C1N=Cc2ccccc21 Amb24089097 [0,0,0,1,1,0|2,0,0]=4 1070 B13R2.72 NC(=O)[n]1ccc2ccccc12 Amb24089086 [0,0,0,1,1,0|2,0,0]=4 1071 B13R2.72 O=C(Cl)[n]1ccc2ccccc12 Amb24089085 [0,0,0,1,1,0|2,0,0]=4 1072 B13R2.72 OC(=O)C1C=Cc2c1cccc2 Amb17470411 [0,0,0,1,1,0|1,0,0]=3 1073 B13R2.72 OC(=O)n1ccc2c1cccc2 Amb13883000 [0,0,0,1,1,0|2,0,0]=4 1074 B13R2.163 O=C1CN=Cc2ccccc2N1 Amb25667427 [0,0,0,1,1,0|2,0,0]=4 1075 B13R2.163 O=C1CN=Cc2ccccc2O1 Amb24060690 [0,0,0,1,1,0|2,0,0]=4 1076 B13R2.163 O=C1Cc2ccccc2NCC1 Amb18829955 [0,0,0,1,1,0|1,0,1]=4 1077 B13R2.163 O=C1Cc2ccccc2OCC1 Amb24352115 [0,0,0,1,1,0|1,0,1]=4 1078 B13R2.163 O=C1NCCc2c(C1)cccc2 Amb16203437 [0,0,0,1,1,0|1,0,1]=4 1079 B13R2.163 O=C1Nc2ccccc2CCO1 Amb24495939 [0,0,0,1,1,0|1,0,1]=4 1080 B13R2.163 O=C1Oc2ccccc2N=CO1 Amb24376626 [0,0,0,1,1,0|2,0,0]=4 1081 B13R2.423 CC(=O)C1OC1c2ccccc2 Amb17594030 [0,0,0,1,1,0|1,0,1]=4 1082 B13R2.423 CC(=O)[C@@H]1CC1c2ccccc2 Amb25759554 [0,0,0,1,1,0|0,0,2]=4 1083 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb25168893 [0,0,0,1,1,0|0,0,2]=4 1084 B13R2.423 CC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb25174918 [0,0,0,1,1,0|1,0,1]=4 1085 B13R2.423 CC(=O)[C@H]1C[C@H]1c2ccccc2 Amb24540267 [0,0,0,1,1,0|0,0,2]=4 1086 B13R2.423 CC(=O)[C@H]1O[C@@H]1c2ccccc2 Amb24601834 [0,0,0,1,1,0|1,0,1]=4 1087 B13R2.423 NC(=O)C1N=C1c2ccccc2 Amb25123969 [0,0,0,1,1,0|2,0,0]=4 1088 B13R2.5881 CC(=O)CC1Cc2ccccc21 Amb25129209 [0,0,0,1,1,0|0,0,2]=4 1089 B13R2.5881 CC(=O)NC1Cc2ccccc12 Amb17778879 [0,0,0,1,1,0|1,0,1]=4 1090 B13R2.5881 CC(=O)OC1Cc2ccccc12 Amb17778687 [0,0,0,1,1,0|0,0,1]=3 1091 B13R2.5881 CC(=O)\C=C\1/Cc2ccccc21 Amb21948332 [0,0,0,1,1,0|0,0,2]=4 1092 B13R2.5881 OC(=O)CC1=Cc2ccccc21 Amb25148617 [0,0,0,1,1,0|1,0,0]=3 1093 B15R2.6 CC(=O)C=Cc1c[nH]c2ccccc12 Amb24062734 [0,0,0,1,0,1|1,0,1]=4 1094 B15R2.6 CC(=O)CC[n]1[n]cc2ccccc12 Amb19059809 [0,0,0,1,0,1|2,0,0]=4 1095 B15R2.6 CC(=O)CCc1[n][nH]c2ccccc12 Amb20247843 [0,0,0,1,0,1|2,0,0]=4 1096 B15R2.6 CC(=O)CCc1c[nH]c2[n]cccc12 Amb25354133 [0,0,0,1,0,1|2,0,0]=4 1097 B15R2.6 CC(=O)CCc1c[nH]c2c[n]ccc12 Amb25072713 [0,0,0,1,0,1|2,0,0]=4 1098 B15R2.6 CC(=O)CCc1c[nH]c2cc[n]cc12 Amb24625781 [0,0,0,1,0,1|2,0,0]=4 1099 B15R2.6 CC(=O)NC[n]1c[n]c2ccccc12 Amb24096322 [0,0,0,1,0,1|2,0,0]=4 1100 B15R2.6 CC(=O)OCC1C=Cc2ccccc21 Amb25181434 [0,0,0,1,0,1|0,0,0]=2 1101 B15R2.6 CC(=O)OCc1c[nH]c2ccccc21 Amb25087863 [0,0,0,1,0,1|0,0,0]=2 1102 B15R2.6 CC(=O)OCc1c[s]c2ccccc21 Amb24105118 [0,0,0,1,0,1|0,0,0]=2 1103 B15R2.6 CC(=O)OCn1nnc2c1cccc2 Amb10559295 [0,0,0,1,0,1|2,0,0]=4 1104 B15R2.6 CC(=O)SCc1c[nH]c2ccccc21 Amb24666622 [0,0,0,1,0,1|0,1,0]=3 1105 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb1818431 [0,0,0,1,0,1|1,0,1]=4 1106 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb2388998 [0,0,0,1,0,1|1,0,1]=4 1107 B15R2.6 CC(=O)\C=C\c1coc2ccccc12 Amb25763383 [0,0,0,1,0,1|1,0,1]=4 1108 B15R2.6 CC(C)=CCc1c[nH]c2ccccc12 Amb17939147 [0,0,0,1,0,1|2,0,0]=4 1109 B15R2.6 CC(C)OC[n]1ccc2ccccc12 Amb25757832 [0,0,0,1,0,1|1,0,1]=4 1110 B15R2.6 CN(C)OCc1c[nH]c2ccccc21 Amb25123330 [0,0,0,1,0,1|2,0,0]=4 1111 B15R2.6 CS(=O)CC[n]1ccc2ccccc12 Amb24538876 [0,0,0,1,0,1|2,0,0]=4 1112 B15R2.6 NC(=O)CCc1c[s]c2ccccc12 Amb25035755 [0,0,0,1,0,1|2,0,0]=4 1113 B15R2.6 NC(=O)CCn1ccc2c1cccc2 Amb1902855 [0,0,0,1,0,1|2,0,0]=4 1114 B15R2.6 NC(=O)NCc1c[nH]c2ccccc21 Amb22482960 [0,0,0,1,0,1|2,0,0]=4 1115 B15R2.6 O=C(Cl)CCc1c[nH]c2ccccc12 Amb25733134 [0,0,0,1,0,1|2,0,0]=4 1116 B15R2.6 O=C(Cl)CCc1c[s]c2ccccc12 Amb25086054 [0,0,0,1,0,1|2,0,0]=4 1117 B15R2.6 OC(=O)CCC1=CCc2ccccc21 Amb24498312 [0,0,0,1,0,1|2,0,0]=4 1118 B15R2.6 OC(=O)CCc1c[nH]c2c1cccc2 Amb1680030 [0,0,0,1,0,1|2,0,0]=4 1119 B15R2.6 OC(=O)CCc1c[s]c2ccccc12 Amb18995289 [0,0,0,1,0,1|2,0,0]=4 1120 B15R2.6 OC(=O)CCc1coc2ccccc12 Amb18650405 [0,0,0,1,0,1|2,0,0]=4 1121 B15R2.6 OC(=O)CCn1ccc2c1cccc2 Amb1215762 [0,0,0,1,0,1|2,0,0]=4 1122 B15R2.6 OC(=O)SCc1c[nH]c2ccccc21 Amb25238918 [0,0,0,1,0,1|1,1,0]=4 1123 B15R2.6 [O-]C(=O)CCc1c[nH]c2ccccc12 Amb21928575 [0,0,0,1,0,1|2,0,0]=4 1124 B15R2.31 O=C1C=C(CCO1)Nc2ccccc2 Amb22229530 [0,0,0,1,0,1|0,0,2]=4 1125 B15R2.31 O=C1CCC\C(=C/c2ccccc2)\N1 Amb25349405 [0,0,0,1,0,1|2,0,0]=4 1126 B15R2.31 O=C1CCC\C(=C\c2ccccc2)\N1 Amb24613563 [0,0,0,1,0,1|2,0,0]=4 1127 B15R2.31 O=C1CN(Cc2ccccc2)CCO1 Amb22490281 [0,0,0,1,0,1|0,0,2]=4 1128 B15R2.63 CC(=O)[n]1cc[n]c1-c2ccccc2 Amb25722062 [0,0,0,1,0,1|1,0,1]=4 1129 B15R2.63 CC(=O)c1[nH]ccc1-c2ccccc2 Amb18822493 [0,0,0,1,0,1|1,0,1]=4 1130 B15R2.63 CC(=O)c1[n][nH]cc1-c2ccccc2 Amb22501084 [0,0,0,1,0,1|2,0,0]=4 1131 B15R2.63 CC(=O)c1[n]c[s]c1-c2ccccc2 Amb23603724 [0,0,0,1,0,1|2,0,0]=4 1132 B15R2.63 CC(=O)c1[s]c[n]c1-c2ccccc2 Amb23603726 [0,0,0,1,0,1|2,0,0]=4 1133 B15R2.63 CC(=O)c1[s]ccc1-c2ccccc2 Amb22437058 [0,0,0,1,0,1|0,1,1]=4 1134 B15R2.63 CC(=O)c1cc[nH]c1-c2ccccc2 Amb25040971 [0,0,0,1,0,1|1,0,1]=4 1135 B15R2.63 CC(=O)c1ccc[n]1-c2ccccc2 Amb18822510 [0,0,0,1,0,1|1,0,1]=4 1136 B15R2.63 OC(=O)c1o[n]cc1-c2ccccc2 Amb24058270 [0,0,0,1,0,1|2,0,0]=4 1137 B15R2.283 CC1COC(C=Cc2ccccc2)O1 Amb24066146 [0,0,0,1,0,1|0,0,2]=4 1138 B15R2.283 Cc1cc([n]o1)\N=C\c2ccccc2 Amb25220150 [0,0,0,1,0,1|2,0,0]=4 1139 B15R2.283 Cc1cc(\C=C\c2ccccc2)o[n]1 Amb24554513 [0,0,0,1,0,1|1,0,1]=4 1140 B15R2.283 O=C1C=C(CO1)NCc2ccccc2 Amb23562822 [0,0,0,1,0,1|0,0,2]=4 1141 B15R2.283 O=C1C=C(CO1)OCc2ccccc2 Amb24310537 [0,0,0,1,0,1|0,0,2]=4 1142 B15R2.283 O=C1CC(C=Cc2ccccc2)=NN1 Amb24678149 [0,0,0,1,0,1|1,0,1]=4 1143 B15R2.283 O=C1CC(CN1)\C=C\c2ccc[n]c2 Amb24519947 [0,0,0,1,0,1|2,0,0]=4 1144 B15R2.283 O=C1CC(CN1)\C=C\c2cccc[n]2 Amb25036851 [0,0,0,1,0,1|2,0,0]=4 1145 B15R2.283 O=C1CC(CN1)\C=C\c2ccccc2 Amb24531769 [0,0,0,1,0,1|1,0,0]=3 1146 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,1,0,1|0,0,2]=4 1147 B15R2.283 O=C1CC(\C=C\c2ccccc2)=NN1 Amb25328472 [0,0,0,1,0,1|1,0,1]=4 1148 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,1,0,1|0,0,2]=4 1149 B15R2.283 O=C1NC(CO1)\C=C\c2ccccc2 Amb24336522 [0,0,0,1,0,1|1,0,0]=3 1150 B15R2.283 O=C1NC(CO1)\N=C\c2ccccc2 Amb24336701 [0,0,0,1,0,1|1,0,1]=4 1151 B15R2.283 O=C1NC(CS1)\C=C\c2ccccc2 Amb24674266 [0,0,0,1,0,1|1,1,0]=4 1152 B15R2.283 O=C1NC(\C=C\c2ccccc2)=NO1 Amb24418434 [0,0,0,1,0,1|1,0,1]=4 1153 B15R2.283 O=C1N[C@@H](CO1)\C=C\c2ccccc2 Amb24506561 [0,0,0,1,0,1|1,0,0]=3 1154 B15R2.283 O=C1N[C@@H](CS1)\C=C\c2ccccc2 Amb25139433 [0,0,0,1,0,1|1,1,0]=4 1155 B15R2.283 O=C1N[C@H](CO1)\C=C\c2ccccc2 Amb24753714 [0,0,0,1,0,1|1,0,0]=3 1156 B15R2.283 OC1C[C@H](CO1)\C=C\c2ccccc2 Amb25813696 [0,0,0,1,0,1|0,0,2]=4 1157 B15R2.543 O=C1CC(=CC=CN1)c2ccccc2 Amb25054735 [0,0,0,1,0,1|1,0,1]=4 1158 B15R2.543 O=C1CC(=NCCN1)c2ccccc2 Amb25165904 [0,0,0,1,0,1|1,0,1]=4 1159 B15R2.543 O=C1NC(C=CCO1)c2ccccc2 Amb25166000 [0,0,0,1,0,1|1,0,0]=3 1160 B15R2.543 O=C1NOCC=C(N1)c2ccccc2 Amb24587116 [0,0,0,1,0,1|1,0,0]=3 1161 B15R2.617 O=C1CC(C\C=C\c2ccccc2)N1 Amb25785602 [0,0,0,1,0,1|1,0,0]=3 1162 B15R2.1220 OC(=O)C1CC1\C=C\c2ccccc2 Amb24634251 [0,0,0,1,0,1|2,0,0]=4 1163 B15R2.1220 OC(=O)[C@@H]1C[C@H]1\C=C/c2ccccc2 Amb25233397 [0,0,0,1,0,1|2,0,0]=4 1164 B15R2.68122 CC(=O)C[n+]1cc[n]c2ccccc12 Amb22358832 [0,0,0,1,0,1|2,0,0]=4 1165 B15R2.68122 CC(=O)NC1C=CCc2ccccc21 Amb25307934 [0,0,0,1,0,1|1,0,0]=3 1166 B15R2.68122 CC(=O)Nc1[n]ccc2ccccc21 Amb25835723 [0,0,0,1,0,1|1,0,1]=4 1167 B15R2.68122 CC(=O)Nc1ccnc2c1cccc2 Amb2227879 [0,0,0,1,0,1|1,0,1]=4 1168 B15R2.68122 CC(=O)OC1=CCCc2ccccc21 Amb25800815 [0,0,0,1,0,1|0,0,2]=4 1169 B15R2.68122 CC(=O)OC1CCCc2ccccc21 Amb22170321 [0,0,0,1,0,1|0,0,2]=4 1170 B15R2.68122 CC(=O)OC1NCCc2ccccc21 Amb24666526 [0,0,0,1,0,1|0,0,2]=4 1171 B15R2.68122 CC(=O)Oc1c[n]cc2ccccc21 Amb24651459 [0,0,0,1,0,1|0,0,1]=3 1172 B15R2.68122 CC(=O)Oc1cccc2[n]cccc12 Amb24071667 [0,0,0,1,0,1|1,0,1]=4 1173 B15R2.68122 CC(=O)Oc1cccc2c1cccc2 Amb2550053 [0,0,0,1,0,1|0,0,1]=3 1174 B15R2.68122 ClC(=O)Oc1cccc2c1cccc2 Amb10844671 [0,0,0,1,0,1|1,0,1]=4 1175 B15R2.68122 OC(=O)CC1C=COc2ccccc21 Amb25672651 [0,0,0,1,0,1|2,0,0]=4 1176 B15R2.83023 CC(=O)Nc:1:c:c:c-2:c:c:c:c:c:c21 Amb21950043 [0,0,0,1,0,1|1,0,1]=4 1177 B15R2.377 CC(=O)C[n]1ccc2cc(Cl)ccc12 Amb25238563 [0,1,0,1,0,0|2,0,0]=4 1178 B15R2.377 CC(=O)Oc1c[nH]c2cc(Br)ccc12 Amb21963394 [0,1,0,1,0,0|1,0,1]=4 1179 B15R2.377 CC(=O)Oc1c[nH]c2cc(F)ccc12 Amb25111495 [0,1,0,1,0,0|1,0,1]=4 1180 B15R2.377 Cc1cc2cc[n](CC(C)=O)c2cc1 Amb25277921 [0,1,0,1,0,0|2,0,0]=4 1181 B15R2.377 OC(=O)CC1C=Cc2c1ccc(c2)C Amb17470694 [0,1,0,1,0,0|2,0,0]=4 1182 B15R2.377 OC(=O)CC1C=Cc2c1ccc(c2)Cl Amb17471329 [0,1,0,1,0,0|2,0,0]=4 1183 B15R2.377 OC(=O)CC1C=Cc2c1ccc(c2)F Amb17470807 [0,1,0,1,0,0|2,0,0]=4 1184 B15R2.384 CC(=O)c1[n]ccc2cc(Cl)ccc21 Amb19104794 [0,1,0,1,0,0|2,0,0]=4 1185 B15R2.384 Cc1cc2cc[n]c(c2cc1)C(C)=O Amb19104785 [0,1,0,1,0,0|2,0,0]=4 1186 B15R2.384 NC(=O)N1CC=Cc2cc(Cl)ccc12 Amb25857444 [0,1,0,1,0,0|2,0,0]=4 1187 B15R2.1115 Cc1cc(ccc1)NC=2COC(=O)C2 Amb24694140 [0,1,0,1,0,0|1,0,1]=4 1188 B15R2.1115 O=C1C=C(CO1)Nc2cccc(Cl)c2 Amb24336752 [0,1,0,1,0,0|1,0,1]=4 1189 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CO1 Amb24450058 [0,1,0,1,0,0|0,0,2]=4 1190 B15R2.1115 O=C1CC\C(=C\c2cc(Cl)ccc2)\N1 Amb25827528 [0,1,0,1,0,0|2,0,0]=4 1191 B15R2.13624 CC(=O)OC1CNc2cccc(Cl)c21 Amb24579301 [0,1,0,1,0,0|1,0,1]=4 1192 B15R2.13624 Cc1cccc2[nH]cc(OC(C)=O)c12 Amb19373828 [0,1,0,1,0,0|1,0,1]=4 1193 B15R2.13624 OC(=O)CC1C=Cc2c1c(C)ccc2 Amb17470695 [0,1,0,1,0,0|2,0,0]=4 1194 B15R2.13624 OC(=O)CC1C=Cc2c1c(Cl)ccc2 Amb17471330 [0,1,0,1,0,0|2,0,0]=4 1195 B15R2.13624 OC(=O)CC1C=Cc2c1c(F)ccc2 Amb17470808 [0,1,0,1,0,0|2,0,0]=4 1196 B15R2.15418 Nc1cc(\C=C\C2CC(=O)N2)ccc1 Amb24605334 [0,1,0,1,0,0|1,0,0]=3 1197 B15R2.61345 CC(=O)c1[n]ccc2cccc(Cl)c21 Amb19104811 [0,1,0,1,0,0|2,0,0]=4 1198 B15R2.61345 CC(=O)c1[n]ccc2cccc(F)c21 Amb19104810 [0,1,0,1,0,0|2,0,0]=4 1199 B15R2.61345 Cc1cccc2C=CCN(C(N)=O)c21 Amb25701578 [0,1,0,1,0,0|2,0,0]=4 1200 B15R2.61345 Cc1cccc2cc[n]c(c12)C(C)=O Amb19104809 [0,1,0,1,0,0|2,0,0]=4 1201 B15R2.332 O=C1CC(CCO1)c2ccccc2Cl Amb24507489 [0,1,0,1,0,0|0,0,2]=4 1202 B15R2.332 O=C1CC(CCO1)c2ccccc2F Amb25697474 [0,1,0,1,0,0|0,0,2]=4 1203 B15R2.332 Oc1ccccc1C2CC(=O)OCC2 Amb25347463 [0,1,0,1,0,0|0,0,2]=4 1204 B15R2.1660 CC(=O)CCc1[nH]c2ccccc2[n]1 Amb25700427 [0,1,0,1,0,0|2,0,0]=4 1205 B15R2.1660 CC(=O)CCc1[n]c2ccccc2[s]1 Amb24591557 [0,1,0,1,0,0|2,0,0]=4 1206 B15R2.1660 CC(=O)CCc1[n]c2ccccc2o1 Amb25181980 [0,1,0,1,0,0|2,0,0]=4 1207 B15R2.1660 CC(=O)CCc1cc2ccccc2[nH]1 Amb18821555 [0,1,0,1,0,0|1,0,0]=3 1208 B15R2.1660 CC(=O)CSc1cc2ccccc2[nH]1 Amb24521342 [0,1,0,1,0,0|2,0,0]=4 1209 B15R2.1660 CC(=O)NCc1cc2[n]cccc2o1 Amb24072685 [0,1,0,1,0,0|2,0,0]=4 1210 B15R2.1660 CC(=O)NCc1cc2c[n]ccc2o1 Amb24072686 [0,1,0,1,0,0|2,0,0]=4 1211 B15R2.1660 CC(=O)NCc1cc2cc[n]cc2o1 Amb24072684 [0,1,0,1,0,0|2,0,0]=4 1212 B15R2.1660 CC(=O)NCc1cc2ccc[n]c2o1 Amb24072683 [0,1,0,1,0,0|2,0,0]=4 1213 B15R2.1660 CC(=O)NCc1nc2c([nH]1)cccc2 Amb1760904 [0,1,0,1,0,0|2,0,0]=4 1214 B15R2.1660 CC(=O)OCc1[nH]c2ccccc2[n]1 Amb25240036 [0,1,0,1,0,0|1,0,0]=3 1215 B15R2.1660 CC(=O)OCc1[n]c2ccccc2o1 Amb25221541 [0,1,0,1,0,0|1,0,0]=3 1216 B15R2.1660 CC(=O)OCc1cc2c[n]ccc2[nH]1 Amb22736603 [0,1,0,1,0,0|1,0,0]=3 1217 B15R2.1660 CC(=O)OCc1cc2ccccc2[nH]1 Amb24418466 [0,1,0,1,0,0|0,0,0]=2 1218 B15R2.1660 CC(=O)OCc1cc2ccccc2[s]1 Amb24103866 [0,1,0,1,0,0|0,0,0]=2 1219 B15R2.1660 CC(=O)SCc1[n]c2ccccc2o1 Amb24743697 [0,1,0,1,0,0|1,1,0]=4 1220 B15R2.1660 CC(=O)SCc1c[n]2ccccc2[n]1 Amb24699956 [0,1,0,1,0,0|1,1,0]=4 1221 B15R2.1660 CC(=O)\C=C\c1cc2ccccc2[nH]1 Amb25103261 [0,1,0,1,0,0|1,0,1]=4 1222 B15R2.1660 CC(=O)\C=C\c1cc2ccccc2o1 Amb25680711 [0,1,0,1,0,0|1,0,1]=4 1223 B15R2.1660 OC(=O)CCC=1Cc2ccccc2C1 Amb25352105 [0,1,0,1,0,0|2,0,0]=4 1224 B15R2.1660 OC(=O)CCc1cc2ccccc2[nH]1 Amb18650130 [0,1,0,1,0,0|2,0,0]=4 1225 B15R2.1660 OC(=O)CCc1cc2ccccc2[s]1 Amb18655531 [0,1,0,1,0,0|2,0,0]=4 1226 B15R2.1668 CC(=O)C[n+]1ccc2c(c1)cccc2 Amb10554236 [0,1,0,1,0,0|2,0,0]=4 1227 B15R2.1668 CC(=O)Oc1cc2[n]cccc2cc1 Amb25734486 [0,1,0,1,0,0|1,0,1]=4 1228 B15R2.1668 CC(=O)Oc1cc2c[n]ccc2cc1 Amb24518935 [0,1,0,1,0,0|1,0,1]=4 1229 B15R2.1668 CC(=O)Oc1cc2ccc[n]c2cc1 Amb19957342 [0,1,0,1,0,0|1,0,1]=4 1230 B15R2.1668 CC(=O)Oc1cc2ccccc2[n]c1 Amb25294500 [0,1,0,1,0,0|1,0,1]=4 1231 B15R2.1668 CC(=O)Sc1cc2ccccc2cc1 Amb22350011 [0,1,0,1,0,0|0,1,1]=4 1232 B15R2.1668 CC(=S)Oc1ccc2c(c1)cccc2 Amb10574281 [0,1,0,1,0,0|0,1,1]=4 1233 B15R2.1668 NC(=O)Oc1cc2ccccc2cc1 Amb20179673 [0,1,0,1,0,0|1,0,1]=4 1234 B15R2.1668 O=C(Cl)Oc1cc2ccccc2cc1 Amb19930198 [0,1,0,1,0,0|1,0,1]=4 1235 B15R2.13587 CC(=O)C[n]1ccc2c(Br)cccc12 Amb24412517 [0,1,0,1,0,0|2,0,0]=4 1236 B15R2.13587 CC(=O)C[n]1ccc2c(Cl)cccc12 Amb25346585 [0,1,0,1,0,0|2,0,0]=4 1237 B15R2.13587 CC(=O)OC1CCc2c(N)cccc21 Amb18129897 [0,1,0,1,0,0|0,0,2]=4 1238 B15R2.13587 CC(=O)OC1CCc2c(O)cccc21 Amb25373282 [0,1,0,1,0,0|0,0,2]=4 1239 B15R2.13587 Cc1cccc2c1[nH]cc2OC(C)=O Amb24067437 [0,1,0,1,0,0|1,0,1]=4 1240 B15R2.13587 Cc1cccc2c1cc[n]2CC(C)=O Amb19076492 [0,1,0,1,0,0|2,0,0]=4 1241 B15R2.13611 CC(=O)c1[n]ccc2c(Cl)cccc21 Amb19104793 [0,1,0,1,0,0|2,0,0]=4 1242 B15R2.13611 CC(=O)c1[n]ccc2c(F)cccc21 Amb19104786 [0,1,0,1,0,0|2,0,0]=4 1243 B15R2.13611 CC(=O)c1[n]ccc2c(O)cccc21 Amb24506334 [0,1,0,1,0,0|2,0,0]=4 1244 B15R2.13611 CC(=O)c1cccc2c(Cl)cccc21 Amb22461304 [0,1,0,1,0,0|1,0,1]=4 1245 B15R2.13611 CC(=O)c1cccc2c(N)cccc21 Amb25831202 [0,1,0,1,0,0|1,0,1]=4 1246 B15R2.13611 CC(=O)c1cccc2c(O)cccc21 Amb25717771 [0,1,0,1,0,0|1,0,1]=4 1247 B15R2.13611 Cc1cccc2c1cc[n]c2C(C)=O Amb19104784 [0,1,0,1,0,0|2,0,0]=4 1248 B15R2.59 CC(=O)N1CC(=CC1)c2cc[n]cc2 Amb24555086 [0,1,0,1,0,0|2,0,0]=4 1249 B15R2.59 CC(=O)c1[n]cc(o1)-c2ccccc2 Amb24405922 [0,1,0,1,0,0|2,0,0]=4 1250 B15R2.59 CC(=O)c1cc(c[s]1)-c2ccccc2 Amb24760206 [0,1,0,1,0,0|2,0,0]=4 1251 B15R2.59 CC(=O)c1ccc(o1)c2ccccc2 Amb17062555 [0,1,0,1,0,0|1,0,1]=4 1252 B15R2.59 OC(=O)C1CC(=CC1)c2ccccc2 Amb25684304 [0,1,0,1,0,0|2,0,0]=4 1253 B15R2.297 CN(c1ccccc1)C2=CC(=O)OC2 Amb15772441 [0,1,0,1,0,0|1,0,1]=4 1254 B15R2.297 Cc1[n]c([n]o1)C(=O)c2ccccc2 Amb24535978 [0,1,0,1,0,0|2,0,0]=4 1255 B15R2.297 Cc1cc(co1)C(=O)c2ccccc2 Amb25754422 [0,1,0,1,0,0|1,0,1]=4 1256 B15R2.297 O=C1CN(CC1)C(=O)c2ccccc2 Amb24736515 [0,1,0,1,0,0|2,0,0]=4 1257 B15R2.297 O=C1NC(=NO1)C(=O)c2ccccc2 Amb24444828 [0,1,0,1,0,0|2,0,0]=4 1258 B15R2.297 OC(C1COC(=O)C1)c2ccccc2 Amb25803001 [0,1,0,1,0,0|0,0,2]=4 1259 B15R2.297 O[C@H]([C@H]1COC(=O)C1)c2ccccc2 Amb24719808 [0,1,0,1,0,0|0,0,2]=4 1260 B15R2.548 O=C1CC=C(C=CN1)c2ccccc2 Amb20171591 [0,1,0,1,0,0|1,0,1]=4 1261 B15R2.548 O=C1CCC(CCO1)c2ccccc2 Amb22337540 [0,1,0,1,0,0|0,0,2]=4 1262 B15R2.612 O=C(CC1CC(=O)N1)c2ccccc2 Amb24499290 [0,1,0,1,0,0|1,0,1]=4 1263 B15R2.612 O=C(C[C@@H]1CC(=O)N1)c2ccccc2 Amb25714545 [0,1,0,1,0,0|1,0,1]=4 1264 B15R2.612 O=C(O[C@@H]1CC(=O)N1)c2ccccc2 Amb25290292 [0,1,0,1,0,0|2,0,0]=4 1265 B15R2.612 O=C(S[C@@H]1CC(=O)N1)c2ccccc2 Amb25324453 [0,1,0,1,0,0|2,0,0]=4 1266 B15R2.612 O=C1CC(C1)OC(=O)c2ccccc2 Amb21856453 [0,1,0,1,0,0|2,0,0]=4 1267 B15R2.14628 CC(=O)C1CCC(=O)c2ccccc21 Amb24731766 [0,1,0,1,0,0|1,0,1]=4 1268 B15R2.14628 CC(=O)N1C=CC(=O)c2ccccc12 Amb25253347 [0,1,0,1,0,0|1,0,1]=4 1269 B15R2.14628 CC(=O)N1CCC(=O)c2c1cccc2 Amb16971728 [0,1,0,1,0,0|1,0,1]=4 1270 B15R2.14628 CC(=O)N1N=CC(=O)c2ccccc12 Amb22461967 [0,1,0,1,0,0|2,0,0]=4 1271 B15R2.14628 CC(=O)c1[n]cc(Br)c2ccccc21 Amb22497780 [0,1,0,1,0,0|2,0,0]=4 1272 B15R2.14628 CC(=O)c1ccc(Br)c2ccccc21 Amb22227537 [0,1,0,1,0,0|1,0,1]=4 1273 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)C Amb10788866 [0,1,0,1,0,0|1,0,1]=4 1274 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)Cl Amb17595460 [0,1,0,1,0,0|1,0,1]=4 1275 B15R2.14628 CC(=O)c1ccc(c2c1cccc2)O Amb17594809 [0,1,0,1,0,0|1,0,1]=4 1276 B15R2.14628 CC1=CCN(c2ccccc12)C(C)=O Amb25243398 [0,1,0,1,0,0|1,0,0]=3 1277 B15R2.14628 Cc1c[n]c(c2ccccc12)C(C)=O Amb18353444 [0,1,0,1,0,0|2,0,0]=4 1278 B15R2.53147 CC(=O)CC1NC(=O)c2ccccc21 Amb25041166 [0,1,0,1,0,0|2,0,0]=4 1279 B15R2.53147 CC(=O)C[n]1cc(Cl)c2ccccc12 Amb24406338 [0,1,0,1,0,0|2,0,0]=4 1280 B15R2.53147 CC(=O)NC1CC(=O)c2ccccc21 Amb24072232 [0,1,0,1,0,0|1,0,1]=4 1281 B15R2.53147 CC(=O)NC1OC(=O)c2ccccc21 Amb22442905 [0,1,0,1,0,0|2,0,0]=4 1282 B15R2.53147 CC(=O)OC1C=C(C)c2ccccc12 Amb17778913 [0,1,0,1,0,0|0,0,0]=2 1283 B15R2.53147 CC(=O)OC1OC(=O)c2ccccc12 Amb17850786 [0,1,0,1,0,0|1,0,0]=3 1284 B15R2.53147 CC(=O)OC1OC(O)c2ccccc21 Amb25837909 [0,1,0,1,0,0|1,0,1]=4 1285 B15R2.53147 CC(=O)OI1OC(=O)c2ccccc12 Amb25733584 [0,1,0,1,0,0|2,0,0]=4 1286 B15R2.53147 CC1C=C(OC(C)=O)c2ccccc12 Amb17778892 [0,1,0,1,0,0|0,0,2]=4 1287 B15R2.53147 Cc1c[n](CC(C)=O)c2ccccc12 Amb18329562 [0,1,0,1,0,0|2,0,0]=4 1288 B15R2.53147 Cc1cc(OC(C)=O)c2cccc[n]12 Amb25069373 [0,1,0,1,0,0|1,0,1]=4 1289 B15R2.29 O=C1CNC(Cc2ccccc2)=NO1 Amb24522022 [0,1,0,1,0,0|1,0,1]=4 1290 B15R2.33 CC=1CCC(=O)NC1c2ccccc2 Amb21951678 [0,1,0,1,0,0|2,0,0]=4 1291 B15R2.33 NC1COC(=O)CC1c2ccccc2 Amb25743549 [0,1,0,1,0,0|0,0,2]=4 1292 B15R2.33 O=C1CCC(Cl)=C(N1)c2ccccc2 Amb24392179 [0,1,0,1,0,0|2,0,0]=4 1293 B15R2.33 O=C1CN(c2ccccc2)C(=O)CC1 Amb25170229 [0,1,0,1,0,0|2,0,0]=4 1294 B15R2.33 O=C1CNC(=O)CN1c2ccccc2 Amb25825947 [0,1,0,1,0,0|2,0,0]=4 1295 B15R2.33 O=C1N[C@@H](c2ccccc2)C(=O)CO1 Amb24386496 [0,1,0,1,0,0|1,0,1]=4 1296 B15R2.33 OC1COC(=O)CC1c2ccccc2 Amb25855725 [0,1,0,1,0,0|0,0,2]=4 1297 B15R2.33 O[C@@H]1COC(=O)C[C@H]1c2ccccc2 Amb24515421 [0,1,0,1,0,0|0,0,2]=4 1298 B15R2.356 O=C1Cc2ccccc2NC(=O)CN1 Amb24336643 [0,1,0,1,0,0|2,0,0]=4 1299 B15R2.988 CC(=O)N1CC(N)=Cc2ccccc12 Amb25363940 [0,1,0,1,0,0|1,0,0]=3 1300 B15R2.988 CC(=O)N1CC(N)=Nc2ccccc12 Amb25691853 [0,1,0,1,0,0|2,0,0]=4 1301 B15R2.988 CC=1CN(C(N)=O)c2ccccc2C1 Amb24739566 [0,1,0,1,0,0|2,0,0]=4 1302 B15R2.988 Cc1cc2ccccc2c([n]1)C(C)=O Amb18353443 [0,1,0,1,0,0|2,0,0]=4 1303 B15R2.988 O=C1Nc2ccccc2N(C1)C(=O)C Amb1670560 [0,1,0,1,0,0|2,0,0]=4 1304 B15R2.988 OC=1CC(c2ccccc2C1)C(O)=O Amb25109248 [0,1,0,1,0,0|2,0,0]=4 1305 B15R2.993 CC(=O)C[C@H]1c2ccccc2NC1=O Amb24336758 [0,1,0,1,0,0|2,0,0]=4 1306 B15R2.993 CC(=O)NC1c2ccccc2OC1=O Amb25276239 [0,1,0,1,0,0|2,0,0]=4 1307 B15R2.993 CC(=O)OC1C(Cl)Cc2ccccc21 Amb25128246 [0,1,0,1,0,0|0,0,2]=4 1308 B15R2.993 CC(=O)OC1c2ccccc2NC1=O Amb25370087 [0,1,0,1,0,0|1,0,0]=3 1309 B15R2.993 CC(=O)O[C@@H]1[C@H](O)Cc2ccccc21 Amb25346419 [0,1,0,1,0,0|0,0,2]=4 1310 B15R2.993 CC(=O)O[C@H]1[C@@H](N)Cc2ccccc21 Amb24512070 [0,1,0,1,0,0|0,0,2]=4 1311 B15R2.993 CC(=O)O[C@H]1[C@@H](O)Cc2ccccc21 Amb25306511 [0,1,0,1,0,0|0,0,2]=4 1312 B15R2.993 Cc1[nH]c2ccccc2c1OC(C)=O Amb19373829 [0,1,0,1,0,0|1,0,1]=4 1313 B15R2.993 Cc1cc2ccccc2[n]1CC(C)=O Amb19076490 [0,1,0,1,0,0|2,0,0]=4 1314 B15R2.28 Cc1ccc(cc1)[C@H]2CC(=O)OCC2 Amb25132107 [0,1,0,1,0,0|0,0,2]=4 1315 B15R2.28 O=C1CC(CCO1)c2ccc(Br)cc2 Amb24381542 [0,1,0,1,0,0|0,0,2]=4 1316 B15R2.28 O=C1CC(CCO1)c2ccc(Cl)cc2 Amb25095898 [0,1,0,1,0,0|0,0,2]=4 1317 B15R2.28 O=C1CCC=C(O1)c2ccc(F)cc2 Amb24564239 [0,1,0,1,0,0|2,0,0]=4 1318 B15R2.28 O=C1C[C@H](CCO1)c2ccc(F)cc2 Amb25829475 [0,1,0,1,0,0|0,0,2]=4 1319 B15R2.98 O=C1C=C(CO1)Cc2ccc(Br)cc2 Amb24695815 [0,1,0,1,0,0|0,0,2]=4 1320 B15R2.98 O=C1C=C(CO1)Nc2ccc(Cl)cc2 Amb24757566 [0,1,0,1,0,0|1,0,1]=4 1321 B15R2.98 O=C1C=C(CO1)Nc2ccc(F)cc2 Amb23562823 [0,1,0,1,0,0|1,0,1]=4 1322 B15R2.98 Oc1ccc(\C=C/2\CNC(=O)N2)cc1 Amb25229576 [0,1,0,1,0,0|2,0,0]=4 1323 B15R2.98 Oc1ccc(\C=C\2/CNC(=O)N2)cc1 Amb25181386 [0,1,0,1,0,0|2,0,0]=4 1324 B15R2.7268 CC(=O)c1[n]ccc2ccc(Cl)cc21 Amb19104792 [0,1,0,1,0,0|2,0,0]=4 1325 B15R2.7268 CC(=O)c1[n]ccc2ccc(F)cc21 Amb19104787 [0,1,0,1,0,0|2,0,0]=4 1326 B15R2.7268 Cc1cc2c([n]ccc2cc1)C(C)=O Amb19104783 [0,1,0,1,0,0|2,0,0]=4 1327 B15R2.7268 Clc1ccc2c(c1)c(ccc2)C(=O)C Amb17595461 [0,1,0,1,0,0|1,0,1]=4 1328 B15R2.9410 CC(=O)C[n]1ccc2ccc(Br)cc12 Amb25181115 [0,1,0,1,0,0|2,0,0]=4 1329 B15R2.9410 CC(=O)C[n]1ccc2ccc(Cl)cc12 Amb24402905 [0,1,0,1,0,0|2,0,0]=4 1330 B15R2.9410 CC(=O)C[n]1ccc2ccc(F)cc12 Amb19078467 [0,1,0,1,0,0|2,0,0]=4 1331 B15R2.9410 CC(=O)OC1CCc2ccc(N)cc21 Amb25074553 [0,1,0,1,0,0|0,0,2]=4 1332 B15R2.9410 CC(=O)Oc1c[nH]c2ccc(F)cc21 Amb19373831 [0,1,0,1,0,0|1,0,1]=4 1333 B15R2.9410 CC(=O)Oc1c[s]c2ccc(Cl)cc21 Amb25268643 [0,1,0,1,0,0|1,0,1]=4 1334 B15R2.9410 CC(=O)Oc1coc2ccc(Br)cc12 Amb24658523 [0,1,0,1,0,0|1,0,1]=4 1335 B15R2.9410 CC(=O)Oc1coc2ccc(Cl)cc12 Amb25854945 [0,1,0,1,0,0|1,0,1]=4 1336 B15R2.9410 Cc1cc2c(c[nH]c2cc1)OC(C)=O Amb19373827 [0,1,0,1,0,0|1,0,1]=4 1337 B15R2.9410 Cc1cc2c(cc[n]2CC(C)=O)cc1 Amb19076491 [0,1,0,1,0,0|2,0,0]=4 1338 B15R2.4 CCC(=O)C[n]1ccc2ccccc12 Amb18329564 [0,1,0,1,0,0|2,0,0]=4 1339 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 Amb13843501 [0,1,0,1,0,0|2,0,0]=4 1340 B15R2.4 CNC(=O)OC1CCc2ccccc21 Amb25049335 [0,1,0,1,0,0|0,0,2]=4 1341 B15R2.4 CNC(=O)Oc1c[s]c2ccccc21 Amb24336676 [0,1,0,1,0,0|1,0,1]=4 1342 B15R2.4 O=C(CCl)O[C@@H]1CCc2ccccc21 Amb25181651 [0,1,0,1,0,0|0,0,2]=4 1343 B15R2.32 CN1C(=O)C=CC=C1c2ccccc2 Amb20414536 [0,1,0,1,0,0|1,0,1]=4 1344 B15R2.32 CN1C(=O)CSC=C1c2ccccc2 Amb22445281 [0,1,0,1,0,0|2,0,0]=4 1345 B15R2.597 CC1C(\C=C\c2ccccc2)NC1=O Amb25307943 [0,1,0,1,0,0|1,0,0]=3 1346 B15R2.597 C[C@H]1[C@H](\C=C\c2ccccc2)NC1=O Amb24757609 [0,1,0,1,0,0|1,0,0]=3 1347 B15R2.4083 CN1C(Cc2ccccc2)COC1=O Amb18559293 [0,1,0,1,0,0|0,0,2]=4 1348 B15R2.4083 O=C1OCC(Nc2ccccc2)=C1Cl Amb22171590 [0,1,0,1,0,0|1,0,1]=4 1349 B15R2.4083 O=C1OCC(Sc2ccccc2)=C1Cl Amb22171491 [0,1,0,1,0,0|1,0,1]=4 1350 B15R2.4083 O=C1OC\C(=N/c2ccccc2)\C1Cl Amb25678608 [0,1,0,1,0,0|1,0,0]=3 1351 B15R2.4083 OC1C(COC1=O)Cc2ccccc2 Amb25266444 [0,1,0,1,0,0|0,0,2]=4 1352 B15R2.79765 CNC(=O)N1CC=Cc2ccccc12 Amb24066840 [0,1,0,1,0,0|1,0,0]=3 1353 B15R2.79765 CNC(=O)c1[n]ccc2ccccc21 Amb24348150 [0,1,0,1,0,0|2,0,0]=4 1354 B15R2.79765 CNC(=O)c1cccc2c1cccc2 Amb13957947 [0,1,0,1,0,0|1,0,1]=4 1355 B15R2.79765 COC(=O)c1[n]ccc2ccccc21 Amb19070706 [0,1,0,1,0,0|2,0,0]=4 1356 B15R2.79765 NCC(=O)c1[n]ccc2ccccc21 Amb24514203 [0,1,0,1,0,0|2,0,0]=4 1357 B15R2.79765 NCC(=O)c1cccc2c1cccc2 Amb13952115 [0,1,0,1,0,0|1,0,1]=4 1358 B15R2.79765 NCC(=O)c1cccc2ccccc12 Amb17940589 [0,1,0,1,0,0|1,0,1]=4 1359 B15R2.79765 O=C(CBr)c1[n]ccc2ccccc21 Amb25834980 [0,1,0,1,0,0|2,0,0]=4 1360 B15R2.79765 OCC(=O)c1cccc2ccccc21 Amb23556451 [0,1,0,1,0,0|1,0,1]=4 1361 B15R2.27 CC1=CC(=CC(=O)O1)c2ccccc2 Amb20247497 [0,1,0,1,0,0|0,0,2]=4 1362 B15R2.27 CC1=CC(CC(=O)O1)c2ccccc2 Amb21951685 [0,1,0,1,0,0|0,0,2]=4 1363 B15R2.27 CC1C=C(NC(=O)N1)c2ccccc2 Amb25082850 [0,1,0,1,0,0|2,0,0]=4 1364 B15R2.27 O=C1C=C(C=C(Cl)O1)c2ccccc2 Amb22455065 [0,1,0,1,0,0|0,0,2]=4 1365 B15R2.27 O=C1CC(Cl)C=C(O1)c2ccccc2 Amb24638004 [0,1,0,1,0,0|2,0,0]=4 1366 B15R2.27 [O-]C1=CC(=CC(=O)O1)c2ccccc2 Amb22434639 [0,1,0,1,0,0|0,0,2]=4 1367 B15R2.325 CC1=C\C(=C\c2ccccc2)\C(=O)O1 Amb25672432 [0,1,0,1,0,0|1,0,1]=4 1368 B15R2.325 CC1OC(=O)CC1Sc2ccccc2 Amb25778052 [0,1,0,1,0,0|1,0,1]=4 1369 B15R2.325 O=C/1NC(=O)C\C1=C/c2ccccc2 Amb17972660 [0,1,0,1,0,0|1,0,1]=4 1370 B15R2.325 O=C/1OC(=O)C\C1=C/c2ccccc2 Amb17470692 [0,1,0,1,0,0|0,0,1]=3 1371 B15R2.325 O=C/1OC(=O)C\C1=C/c2ccncc2 Amb17470701 [0,1,0,1,0,0|1,0,1]=4 1372 B15R2.325 O=C/1OC(=O)N\C1=C\c2ccccc2 Amb25235728 [0,1,0,1,0,0|1,0,1]=4 1373 B15R2.325 O=C1OC(=NC1=Cc2ccccc2)C Amb2388608 [0,1,0,1,0,0|1,0,1]=4 1374 B15R2.325 O=C1OC(=O)\C(=C\c2ccccn2)\C1 Amb17470699 [0,1,0,1,0,0|1,0,1]=4 1375 B15R2.325 O=C1OC(=O)\C(=C\c2cccnc2)\C1 Amb17470700 [0,1,0,1,0,0|1,0,1]=4 1376 B15R2.325 OC/1CC(=O)N\C1=C/c2ccccc2 Amb25234765 [0,1,0,1,0,0|2,0,0]=4 1377 B15R2.1162 CC(=O)c1c(C)ccc2c1cccc2 Amb17201962 [0,1,0,1,0,0|1,0,1]=4 1378 B15R2.1162 CC(=O)c1c(F)ccc2ccccc21 Amb24063991 [0,1,0,1,0,0|1,0,1]=4 1379 B15R2.1162 CC(=O)c1c(N)ccc2ccccc21 Amb25814744 [0,1,0,1,0,0|1,0,1]=4 1380 B15R2.109477 CS(=O)(=O)N1CC=Cc2ccccc12 Amb22489425 [0,1,0,1,0,0|2,0,0]=4 1381 B15R2.94 CC1CC=C(NC1=O)c2ccccc2 Amb24702071 [0,1,0,1,0,0|2,0,0]=4 1382 B15R2.1255 OC(=O)C(O)C1C=Cc2ccccc21 Amb25100976 [0,1,0,1,0,0|2,0,0]=4 1383 B15R3.2009 O=C1CC2=Cc3ccccc3C2=C1 Amb24647712 [0,0,0,2,0,0|1,0,1]=4 1384 B15R3.2009 O=C1C[C@H]2Cc3ccccc3[C@H]2O1 Amb24087833 [0,0,0,2,0,0|0,0,2]=4 1385 B15R3.2009 O=C1Cc2cc3ccccc3[n]2C1 Amb25336280 [0,0,0,2,0,0|2,0,0]=4 1386 B15R3.10083 O=C1CCc2cc3ccccc3[n]21 Amb25096079 [0,0,0,2,0,0|2,0,0]=4 1387 B15R3.10083 O=C1OCc2[n]c3ccccc3[n]21 Amb24078389 [0,0,0,2,0,0|2,0,0]=4 1388 B15R3.15114 O=C1Cc2ccc3ccccc3c12 Amb17778713 [0,0,0,2,0,0|1,0,1]=4 1389 B15R3.14759 Cc1[n]c2cccc3C=CC[n]1c23 Amb24079370 [0,0,0,2,0,0|2,0,0]=4 1390 B15R3.14759 O=c1[nH]c2cccc3C=CC[n]1c23 Amb24079377 [0,0,0,2,0,0|2,0,0]=4 1391 B11R1.4 CCOC\C=C\c1ccco1 Amb25383225 [1,0,0,0,1,0|1,0,1]=4 1392 B11R1.4 O=CCC\C=C\c1ccco1 Amb24766684 [1,0,0,0,1,0|2,0,0]=4 1393 B11R1.91 CC(=C)COc1ccccc1 Amb10601706 [0,0,0,0,2,0|2,0,0]=4 1394 B11R1.91 CC(=C)OCc1ccccc1 Amb22731238 [0,0,0,0,2,0|1,0,0]=3 1395 B11R1.91 CC(=C)\C=C\c1ccc[n]c1 Amb24085618 [0,0,0,0,2,0|2,0,0]=4 1396 B11R1.91 CC(=C)\C=C\c1ccccc1 Amb22546632 [0,0,0,0,2,0|1,0,0]=3 1397 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,0,0,0,2,0|2,0,0]=4 1398 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,0,0,0,2,0|1,1,0]=4 1399 B11R1.91 CC(=NCc1ccccc1)C Amb10568469 [0,0,0,0,2,0|2,0,0]=4 1400 B11R1.91 CC(=O)C=Cc1ccc[nH+]c1 Amb24099599 [0,0,0,0,2,0|1,0,0]=3 1401 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,2,0|1,0,1]=4 1402 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,2,0|1,0,1]=4 1403 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,2,0|1,0,1]=4 1404 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,2,0|1,0,0]=3 1405 B11R1.91 CC(=O)CSc1cc[n]cc1 Amb25344740 [0,0,0,0,2,0|2,0,0]=4 1406 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,2,0|1,0,0]=3 1407 B11R1.91 CC(=O)NOc1ccccc1 Amb24104585 [0,0,0,0,2,0|2,0,0]=4 1408 B11R1.91 CC(=O)OCC1C=CCC=C1 Amb22365037 [0,0,0,0,2,0|0,0,2]=4 1409 B11R1.91 CC(=O)OCc1[n]ccc[n]1 Amb22756932 [0,0,0,0,2,0|2,0,0]=4 1410 B11R1.91 CC(=O)SCc1ccc[n]c1 Amb22274513 [0,0,0,0,2,0|1,1,0]=4 1411 B11R1.91 CC(=O)SCc1cccc[n]1 Amb22274512 [0,0,0,0,2,0|1,1,0]=4 1412 B11R1.91 CC(=O)SSc1ccccc1 Amb24370825 [0,0,0,0,2,0|1,1,0]=4 1413 B11R1.91 CC(=O)\C=C/c1cccc[n]1 Amb24532942 [0,0,0,0,2,0|1,0,0]=3 1414 B11R1.91 CC(=O)\C=C/c1ccccc1 Amb24380759 [0,0,0,0,2,0|0,0,0]=2 1415 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,2,0|0,0,0]=2 1416 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,2,0|1,0,0]=3 1417 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb17477757 [0,0,0,0,2,0|1,0,0]=3 1418 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb17477756 [0,0,0,0,2,0|1,0,0]=3 1419 B11R1.91 CC(=O)\C=N\c1ccccc1 Amb25230668 [0,0,0,0,2,0|1,0,0]=3 1420 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,2,0|2,0,0]=4 1421 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,0,0,0,2,0|1,1,0]=4 1422 B11R1.91 CC(=S)OCc1ccccc1 Amb22168133 [0,0,0,0,2,0|0,1,0]=3 1423 B11R1.91 CC(C)=CNc1ccccc1 Amb24715634 [0,0,0,0,2,0|2,0,0]=4 1424 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [0,0,0,0,2,0|1,0,1]=4 1425 B11R1.91 CC(N)C=Cc1ccccc1 Amb23536549 [0,0,0,0,2,0|1,0,1]=4 1426 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [0,0,0,0,2,0|1,0,1]=4 1427 B11R1.91 CC(N)\C=C\c1ccccc1 Amb21961471 [0,0,0,0,2,0|1,0,1]=4 1428 B11R1.91 CC(O)OCc1ccccc1 Amb25070837 [0,0,0,0,2,0|0,0,2]=4 1429 B11R1.91 CC(\C=C\c1ccccc1)O Amb17593695 [0,0,0,0,2,0|0,0,2]=4 1430 B11R1.91 CN(C)OCc1ccccc1 Amb24735469 [0,0,0,0,2,0|2,0,0]=4 1431 B11R1.91 CN(C)\C=C\c1ccccc1 Amb25056753 [0,0,0,0,2,0|2,0,0]=4 1432 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb24359903 [0,0,0,0,2,0|1,0,1]=4 1433 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb25809484 [0,0,0,0,2,0|1,0,1]=4 1434 B11R1.91 C\C(\N)=C\Oc1ccccc1 Amb24674154 [0,0,0,0,2,0|2,0,0]=4 1435 B11R1.91 NC(=N)C=Cc1ccccc1 Amb22464717 [0,0,0,0,2,0|2,0,0]=4 1436 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22755484 [0,0,0,0,2,0|2,0,0]=4 1437 B11R1.91 NC(=N)\C=C\c1ccccc1 Amb22756994 [0,0,0,0,2,0|2,0,0]=4 1438 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,0,0,0,2,0|2,0,0]=4 1439 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [0,0,0,0,2,0|2,0,0]=4 1440 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [0,0,0,0,2,0|1,1,0]=4 1441 B11R1.91 O=C(Cl)NCc1ccccc1 Amb25772230 [0,0,0,0,2,0|2,0,0]=4 1442 B11R1.91 O=C(Cl)OCc1cc[n]cc1 Amb24559531 [0,0,0,0,2,0|2,0,0]=4 1443 B11R1.91 O=C(Cl)OCc1ccc[n]c1 Amb25852784 [0,0,0,0,2,0|2,0,0]=4 1444 B11R1.91 O=C(S)CCc1ccccc1 Amb24733716 [0,0,0,0,2,0|1,0,1]=4 1445 B11R1.91 OC(=O)CCc1ccccc1 Amb22366916 [0,0,0,0,2,0|1,0,1]=4 1446 B11R1.91 OC(=O)COc1ccccc1 Amb1213413 [0,0,0,0,2,0|2,0,0]=4 1447 B11R1.91 OC(=O)COc1ccccc1 Amb22274444 [0,0,0,0,2,0|2,0,0]=4 1448 B11R1.91 OC(=O)CPc1ccccc1 Amb24487808 [0,0,0,0,2,0|2,0,0]=4 1449 B11R1.91 OC(=O)CSc1ccccc1 Amb1038999 [0,0,0,0,2,0|2,0,0]=4 1450 B11R1.91 OC(=O)NCc1ccccc1 Amb10603977 [0,0,0,0,2,0|2,0,0]=4 1451 B11R1.91 OC(=O)[13CH2][13CH2]c1ccccc1 Amb22336575 [0,0,0,0,2,0|1,0,1]=4 1452 B11R1.91 OC(=O)\C=C/c1cc[n]cc1 Amb20622011 [0,0,0,0,2,0|2,0,0]=4 1453 B11R1.91 OC(=O)\C=C/c1ccc[n]c1 Amb25378742 [0,0,0,0,2,0|2,0,0]=4 1454 B11R1.91 OC(=O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,2,0|2,0,0]=4 1455 B11R1.91 OC(=O)\C=C\c1ccccc1 Amb22366387 [0,0,0,0,2,0|1,0,0]=3 1456 B11R1.91 OC(=O)\C=C\c1ccncc1 Amb1107607 [0,0,0,0,2,0|2,0,0]=4 1457 B11R1.91 OC(=O)\C=N\c1ccccc1 Amb25243930 [0,0,0,0,2,0|2,0,0]=4 1458 B11R1.91 O[13C](=O)[13CH2][13CH2]c1ccccc1 Amb22336771 [0,0,0,0,2,0|1,0,1]=4 1459 B11R1.91 SC(=S)OCc1ccccc1 Amb10553124 [0,0,0,0,2,0|1,1,0]=4 1460 B11R1.91 SC(=S)OCc1ccccc1 Amb25721135 [0,0,0,0,2,0|1,1,0]=4 1461 B11R1.91 [O-]C(=O)CCc1ccccc1 Amb22233349 [0,0,0,0,2,0|1,0,1]=4 1462 B11R1.91 [O-]C(=O)CNc1ccccc1 Amb21520409 [0,0,0,0,2,0|2,0,0]=4 1463 B11R1.91 [O-]C(=O)COc1ccccc1 Amb22167530 [0,0,0,0,2,0|2,0,0]=4 1464 B11R1.91 [O-]C(=O)COc1ccccc1 Amb22734447 [0,0,0,0,2,0|2,0,0]=4 1465 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb1814995 [0,0,0,0,2,0|1,0,0]=3 1466 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 Amb22360910 [0,0,0,0,2,0|1,0,0]=3 1467 B11R1.91 [O-]P(=O)OCc1ccccc1 Amb22461723 [0,0,0,0,2,0|2,0,0]=4 1468 B11R1.172 CC(=O)C\C=C\c1ccoc1 Amb24380858 [0,0,0,0,2,0|1,0,0]=3 1469 B11R1.172 CC(=O)N\C=C\c1ccc[s]1 Amb25041177 [0,0,0,0,2,0|2,0,0]=4 1470 B11R1.172 CC(=O)OCC[n]1cccc1 Amb25383043 [0,0,0,0,2,0|1,0,1]=4 1471 B11R1.172 CC(=O)OCCc1cc[s]c1 Amb24756180 [0,0,0,0,2,0|1,0,1]=4 1472 B11R1.172 CC(=O)OCCc1ccc[s]1 Amb24756179 [0,0,0,0,2,0|1,0,1]=4 1473 B11R1.172 CC(=O)O\N=C\c1ccc[nH]1 Amb25377470 [0,0,0,0,2,0|2,0,0]=4 1474 B11R1.172 OC(=O)C\C=C\c1cc[nH]c1 Amb18065342 [0,0,0,0,2,0|2,0,0]=4 1475 B11R1.172 OC(=O)C\C=C\c1cc[s]c1 Amb25238418 [0,0,0,0,2,0|2,0,0]=4 1476 B11R1.172 OC(=O)C\C=C\c1ccc[nH]1 Amb25716959 [0,0,0,0,2,0|2,0,0]=4 1477 B11R1.172 OC(=O)C\C=C\c1ccc[s]1 Amb18563846 [0,0,0,0,2,0|2,0,0]=4 1478 B11R1.172 OC(=O)C\C=C\c1ccco1 Amb23441783 [0,0,0,0,2,0|2,0,0]=4 1479 B13R1.1887 O=C\C=C\C=CC=1CC=CC=CC1 Amb24682838 [1,0,0,0,0,1|1,0,1]=4 1480 B15R1.504 CC(=O)COCCNCc1ccccc1 Amb18630702 [0,0,0,0,0,2|0,0,2]=4 1481 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,0,0,0,2|0,0,2]=4 1482 B15R1.504 OC(=O)CC\C=C\OCc1ccccc1 Amb25338085 [0,0,0,0,0,2|2,0,0]=4