0 B13R1.337 C=C(C)CCOCc1ccccc1 Amb27609705 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.337 CC(=N)NC\C=C\c1ccccc1 Amb24366027 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.337 CC(=O)C#CC#Cc1ccccc1 Amb17594204 [0,0,0,0,0,0|1,0,3]=4 3 B13R1.337 CC(=O)CCCCc1ccccc1 Amb8392140 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.337 CC(=O)CCCSc1ccccc1 Amb9283938 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.337 CC(=O)CCNCc1ccccc1 Amb8388282 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [0,0,0,0,0,0|2,0,1]=3 8 B13R1.337 CC(=O)CCSCc1ccccc1 Amb9224165 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.337 CC(=O)CC\C=C\c1ccccc1 Amb32952075 [0,0,0,0,0,0|1,0,0]=1 10 B13R1.337 CC(=O)NCC#Cc1ccccc1 Amb25119168 [0,0,0,0,0,0|1,0,2]=3 11 B13R1.337 CC(=O)NCC#Cc1ccccn1 Amb28454138 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.337 CC(=O)NCCNc1ccccc1 Amb18933018 [0,0,0,0,0,0|2,0,1]=3 13 B13R1.337 CC(=O)NCCOc1ccccc1 Amb22524794 [0,0,0,0,0,0|2,0,1]=3 14 B13R1.337 CC(=O)NCCOc1cccnc1 Amb16229587 [0,0,0,0,0,0|3,0,1]=4 15 B13R1.337 CC(=O)NCCSc1ccccn1 Amb6840550 [0,0,0,0,0,0|3,0,1]=4 16 B13R1.337 CC(=O)NCCSc1ccncc1 Amb24073078 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.337 CC(=O)NC\C=C\c1ccccc1 Amb24452225 [0,0,0,0,0,0|1,0,0]=1 18 B13R1.337 CC(=O)OCCOc1ccccc1 Amb10560141 [0,0,0,0,0,0|1,0,1]=2 19 B13R1.337 CC(=O)OCOCc1ccccc1 Amb27879863 [0,0,0,0,0,0|1,0,1]=2 20 B13R1.337 CC(=O)OC\C=C\c1ccccc1 Amb30640111 [0,0,0,0,0,0|0,0,0]=0 21 B13R1.337 CC(=O)OC\C=C\c1cccnc1 Amb9804427 [0,0,0,0,0,0|1,0,0]=1 22 B13R1.337 CC(=O)O\N=C\Nc1ccccn1 Amb27415765 [0,0,0,0,0,0|3,0,0]=3 23 B13R1.337 CC(=O)O\N=C\Nc1ccncn1 Amb25192032 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.337 CC(=O)O\N=C\Nc1cnccn1 Amb25047431 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.337 CC(=O)\C=C/C#Cc1ccccc1 Amb28122355 [0,0,0,0,0,0|1,0,3]=4 26 B13R1.337 CC(=O)\C=C/NCc1ccccc1 Amb17778144 [0,0,0,0,0,0|2,0,2]=4 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 Amb27605732 [0,0,0,0,0,0|1,0,1]=2 29 B13R1.337 CC(=O)\C=C\C=C\c1ccccn1 Amb28292575 [0,0,0,0,0,0|2,0,1]=3 30 B13R1.337 CC(=O)\C=C\C=C\c1cccnc1 Amb27946877 [0,0,0,0,0,0|2,0,1]=3 31 B13R1.337 CC(=O)\C=C\C=C\c1ccncc1 Amb31161650 [0,0,0,0,0,0|2,0,1]=3 32 B13R1.337 CC(=O)\C=C\CCc1ccccc1 Amb33083001 [0,0,0,0,0,0|1,0,3]=4 33 B13R1.337 CC(=O)\C=C\NCc1ccccc1 Amb25303594 [0,0,0,0,0,0|2,0,2]=4 34 B13R1.337 CC(=O)\C=N\NCc1ccccc1 Amb25767927 [0,0,0,0,0,0|3,0,1]=4 35 B13R1.337 CC(=O)\C=N\OCc1ccccc1 Amb25735259 [0,0,0,0,0,0|3,0,1]=4 36 B13R1.337 CC(C)=CCCNc1ccccc1 Amb29869593 [0,0,0,0,0,0|3,0,1]=4 37 B13R1.337 CC(C)NC\C=C\c1ccccc1 Amb19890403 [0,0,0,0,0,0|2,0,1]=3 38 B13R1.337 CC(C)NC\C=C\c1ccccc1 Amb2118507 [0,0,0,0,0,0|2,0,1]=3 39 B13R1.337 CC(N)CC\C=C\c1ccccc1 Amb32954844 [0,0,0,0,0,0|2,0,1]=3 40 B13R1.337 CC(N)\C=C\C=C\c1ccccc1 Amb27986103 [0,0,0,0,0,0|2,0,2]=4 41 B13R1.337 CC(O)CC\C=C\c1ccccc1 Amb18808901 [0,0,0,0,0,0|1,0,2]=3 42 B13R1.337 CS(=O)CCNCc1ccccc1 Amb27249261 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.337 CS(=O)\C=C\C=C\c1ccccc1 Amb2612174 [0,0,0,0,0,0|2,0,1]=3 44 B13R1.337 C[C@@H](N)CC\C=C\c1ccccc1 Amb33080794 [0,0,0,0,0,0|2,0,1]=3 45 B13R1.337 C[C@@H](O)C#C\C=C\c1ccccc1 Amb27617823 [0,0,0,0,0,0|1,0,3]=4 46 B13R1.337 C[C@@H](O)CC\C=C\c1ccccc1 Amb33080791 [0,0,0,0,0,0|1,0,2]=3 47 B13R1.337 C[C@H](N)CC\C=C\c1ccccc1 Amb33080760 [0,0,0,0,0,0|2,0,1]=3 48 B13R1.337 C[C@H](O)CC\C=C\c1ccccc1 Amb33081535 [0,0,0,0,0,0|1,0,2]=3 49 B13R1.337 C\C(Cl)=C/CNCc1ccccc1 Amb1811425 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.337 C\C(Cl)=C\CNCc1ccccc1 Amb4303980 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.337 N=C(N)NC\C=C/c1ccccc1 Amb27778507 [0,0,0,0,0,0|3,0,0]=3 52 B13R1.337 N=C(N)SC\C=C/c1ccccc1 Amb23556552 [0,0,0,0,0,0|2,1,0]=3 53 B13R1.337 NC(=O)CCC#Cc1ccccc1 Amb27179535 [0,0,0,0,0,0|2,0,2]=4 54 B13R1.337 NC(=O)CCCSc1ccccc1 Amb8997736 [0,0,0,0,0,0|3,0,1]=4 55 B13R1.337 NC(=O)CCNCc1ccccc1 Amb1223227 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.337 NC(=O)CCNCc1ccccc1 Amb7077033 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [0,0,0,0,0,0|3,0,1]=4 58 B13R1.337 NC(=O)NCC#Cc1ccccc1 Amb27479249 [0,0,0,0,0,0|2,0,2]=4 59 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [0,0,0,0,0,0|2,0,2]=4 60 B13R1.337 NC(=O)NCCOc1ccccc1 Amb6328297 [0,0,0,0,0,0|3,0,1]=4 61 B13R1.337 NC(=O)NC\C=C\c1ccccc1 Amb24407866 [0,0,0,0,0,0|2,0,0]=2 62 B13R1.337 NC(=O)N\N=C\Cc1ccccc1 Amb17673737 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.337 NC(=O)OCCCc1ccccc1 Amb8629108 [0,0,0,0,0,0|1,0,2]=3 64 B13R1.337 NC(=O)\C=C/C=C/c1cccnc1 Amb27760021 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.337 NC(=O)\C=C\C=C\c1ccccc1 Amb27204218 [0,0,0,0,0,0|2,0,1]=3 66 B13R1.337 O=C(Cl)CCCCc1ccccc1 Amb5739990 [0,0,0,0,0,0|2,0,2]=4 67 B13R1.337 O=C(Cl)CCCOc1ccccc1 Amb3939585 [0,0,0,0,0,0|3,0,1]=4 68 B13R1.337 O=C(Cl)CCCSc1ccccc1 Amb17143638 [0,0,0,0,0,0|3,0,1]=4 69 B13R1.337 O=C(Cl)CCOCc1ccccc1 Amb27146810 [0,0,0,0,0,0|3,0,1]=4 70 B13R1.337 O=C(Cl)OCC#Cc1ccccc1 Amb33297045 [0,0,0,0,0,0|1,0,2]=3 71 B13R1.337 O=C(Cl)OCCOc1ccccc1 Amb4135975 [0,0,0,0,0,0|2,0,1]=3 72 B13R1.337 O=C(Cl)\C=C\C=C\c1ccccc1 Amb17143115 [0,0,0,0,0,0|2,0,1]=3 73 B13R1.337 O=C(O)CC=C=Cc1ccccc1 Amb27658995 [0,0,0,0,0,0|2,0,2]=4 74 B13R1.337 O=C(O)CCC#Cc1ccccc1 Amb26874532 [0,0,0,0,0,0|2,0,2]=4 75 B13R1.337 O=C(O)CCCCc1ccccc1 Amb3940028 [0,0,0,0,0,0|2,0,2]=4 76 B13R1.337 O=C(O)CCCNc1ccccc1 Amb10189157 [0,0,0,0,0,0|3,0,1]=4 77 B13R1.337 O=C(O)CCCNc1ccccc1 Amb6260555 [0,0,0,0,0,0|3,0,1]=4 78 B13R1.337 O=C(O)CCCOc1ccccc1 Amb1233059 [0,0,0,0,0,0|3,0,1]=4 79 B13R1.337 O=C(O)CCCSc1ccccc1 Amb1105630 [0,0,0,0,0,0|3,0,1]=4 80 B13R1.337 O=C(O)CCNCc1ccccc1 Amb1207218 [0,0,0,0,0,0|3,0,1]=4 81 B13R1.337 O=C(O)CCNCc1ccccc1 Amb6892614 [0,0,0,0,0,0|3,0,1]=4 82 B13R1.337 O=C(O)CCOCc1ccccc1 Amb6281734 [0,0,0,0,0,0|3,0,1]=4 83 B13R1.337 O=C(O)CCSCc1ccccc1 Amb1132307 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.337 O=C(O)CC\C=C\c1ccccc1 Amb17233184 [0,0,0,0,0,0|2,0,0]=2 85 B13R1.337 O=C(O)CS\C=C\c1ccccc1 Amb2725413 [0,0,0,0,0,0|3,0,0]=3 86 B13R1.337 O=C(O)C\C=C\Cc1ccccc1 Amb32667086 [0,0,0,0,0,0|2,0,2]=4 87 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 Amb28068456 [0,0,0,0,0,0|2,0,1]=3 88 B13R1.337 O=C(O)\C=C\C=C\c1ccccn1 Amb26846307 [0,0,0,0,0,0|3,0,1]=4 89 B13R1.337 O=C(O)\C=C\C=C\c1cccnc1 Amb27665637 [0,0,0,0,0,0|3,0,1]=4 90 B13R1.337 O=C(O)\C=C\C=C\c1ccncc1 Amb28136500 [0,0,0,0,0,0|3,0,1]=4 91 B13R1.337 O=[N+]([O-])\C=C\C=C\c1ccccc1 Amb33080797 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.8 BrCCC\C=C\c1ccccc1 Amb33081215 [1,0,0,0,0,0|2,0,1]=4 93 B12R1.8 C#CCC\C=C\c1ccccc1 Amb33081070 [1,0,0,0,0,0|1,0,2]=4 94 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [1,0,0,0,0,0|1,0,1]=3 95 B12R1.8 CCCC\C=C\c1ccccn1 Amb19148732 [1,0,0,0,0,0|2,0,1]=4 96 B12R1.8 CCNC\C=C\c1ccccc1 Amb6864716 [1,0,0,0,0,0|1,0,1]=3 97 B12R1.8 CCNC\C=C\c1ccccc1 Amb837817 [1,0,0,0,0,0|1,0,1]=3 98 B12R1.8 CCOCOCc1ccccc1 Amb27830530 [1,0,0,0,0,0|1,0,2]=4 99 B12R1.8 CNCC\C=C\c1ccccc1 Amb32954379 [1,0,0,0,0,0|2,0,0]=3 100 B12R1.8 CNCC\C=C\c1cccnc1 Amb22369962 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.8 CO\N=C\C=C\c1ccccc1 Amb27396673 [1,0,0,0,0,0|2,0,1]=4 102 B12R1.8 C\C=C\CCNc1ccccc1 Amb28119164 [1,0,0,0,0,0|2,0,1]=4 103 B12R1.8 N#CCC\C=C\c1ccccc1 Amb33081785 [1,0,0,0,0,0|2,0,1]=4 104 B12R1.8 N#CSC\C=C\c1ccccc1 Amb6370377 [1,0,0,0,0,0|1,1,1]=4 105 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [1,0,0,0,0,0|2,0,1]=4 106 B12R1.8 NOCC\C=C\c1ccccc1 Amb18563583 [1,0,0,0,0,0|3,0,0]=4 107 B12R1.8 O=C=NC\C=C\c1ccccc1 Amb26439771 [1,0,0,0,0,0|1,0,1]=3 108 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [1,0,0,0,0,0|1,0,2]=4 109 B12R1.8 O=CCCCOc1ccccc1 Amb18798283 [1,0,0,0,0,0|2,0,1]=4 110 B12R1.8 O=CCCOCc1ccccc1 Amb8394259 [1,0,0,0,0,0|2,0,1]=4 111 B12R1.8 O=CCCSCc1ccccc1 Amb18791178 [1,0,0,0,0,0|2,0,1]=4 112 B12R1.8 O=CCC\C=C\c1ccccc1 Amb18645368 [1,0,0,0,0,0|1,0,0]=2 113 B12R1.8 O=COC\C=C\c1ccccc1 Amb6357969 [1,0,0,0,0,0|0,0,0]=1 114 B12R1.8 O=C\C=C\C=C\c1ccccc1 Amb17593956 [1,0,0,0,0,0|1,0,1]=3 115 B12R1.8 O=C\C=C\C=C\c1ccccn1 Amb27646400 [1,0,0,0,0,0|2,0,1]=4 116 B12R1.8 O=C\C=C\C=C\c1cccnc1 Amb28196713 [1,0,0,0,0,0|2,0,1]=4 117 B12R1.8 O=C\C=C\C=C\c1ccncc1 Amb28457581 [1,0,0,0,0,0|2,0,1]=4 118 B12R1.8 OCCC\C=C\c1ccccc1 Amb33082089 [1,0,0,0,0,0|1,0,2]=4 119 B12R1.8 S=CNC\C=C\c1ccccc1 Amb27232732 [1,0,0,0,0,0|1,1,0]=3 120 B12R1.8 SCCC\C=C\c1ccccc1 Amb33081102 [1,0,0,0,0,0|1,1,1]=4 121 B12R1.8 [C-]#[N+]CC\C=C\c1ccccc1 Amb33081344 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.8 [N-]=[N+]=NC\C=C\c1ccccc1 Amb32665531 [1,0,0,0,0,0|3,0,0]=4 123 B14R1.148 CC(=O)CCCCc1cccc(Br)c1 Amb17264249 [0,1,0,0,0,0|1,0,2]=4 124 B14R1.148 CC(=O)CCCOc1cccc(F)c1 Amb9659942 [0,1,0,0,0,0|2,0,1]=4 125 B14R1.148 CC(=O)CCCSc1cccc(Br)c1 Amb32682857 [0,1,0,0,0,0|2,0,1]=4 126 B14R1.148 CC(=O)CCCSc1cccc(C)c1 Amb32682861 [0,1,0,0,0,0|2,0,1]=4 127 B14R1.148 CC(=O)CCCSc1cccc(Cl)c1 Amb32682858 [0,1,0,0,0,0|2,0,1]=4 128 B14R1.148 CC(=O)CCCSc1cccc(F)c1 Amb32682859 [0,1,0,0,0,0|2,0,1]=4 129 B14R1.148 CC(=O)CCSCc1cccc(C)c1 Amb32682894 [0,1,0,0,0,0|2,0,1]=4 130 B14R1.148 CC(=O)NCC#Cc1cccc(Cl)c1 Amb28251024 [0,1,0,0,0,0|1,0,2]=4 131 B14R1.148 CC(=O)NCCNc1cccc(Cl)c1 Amb18270431 [0,1,0,0,0,0|2,0,1]=4 132 B14R1.148 CC(=O)NCCNc1cccc(F)c1 Amb18933375 [0,1,0,0,0,0|2,0,1]=4 133 B14R1.148 CC(=O)NCCOc1cccc(Br)c1 Amb16229678 [0,1,0,0,0,0|2,0,1]=4 134 B14R1.148 CC(=O)NCCOc1cccc(F)c1 Amb9871487 [0,1,0,0,0,0|2,0,1]=4 135 B14R1.148 CC(=O)NCCOc1cccc(N)c1 Amb9870452 [0,1,0,0,0,0|2,0,1]=4 136 B14R1.148 CC(=O)OCCCc1cccc(N)c1 Amb28653244 [0,1,0,0,0,0|0,0,2]=3 137 B14R1.148 CC(=O)\C=C\C=C\c1cccc(Br)c1 Amb31141061 [0,1,0,0,0,0|1,0,1]=3 138 B14R1.148 CC(=O)\C=C\C=C\c1cccc(C)c1 Amb31185801 [0,1,0,0,0,0|1,0,1]=3 139 B14R1.148 CC(=O)\C=C\C=C\c1cccc(Cl)c1 Amb31117340 [0,1,0,0,0,0|1,0,1]=3 140 B14R1.148 CC(=O)\C=C\C=C\c1cccc(F)c1 Amb31135002 [0,1,0,0,0,0|1,0,1]=3 141 B14R1.148 Cc1cccc(\C=C\C=C\C(=O)O)c1 Amb27955292 [0,1,0,0,0,0|2,0,1]=4 142 B14R1.148 Cc1cccc(\C=C\CCC(=O)O)c1 Amb17234914 [0,1,0,0,0,0|2,0,0]=3 143 B14R1.148 N=C(N)NC\C=C\c1cccc(Cl)c1 Amb27201641 [0,1,0,0,0,0|3,0,0]=4 144 B14R1.148 O=C(O)CC\C=C\c1cccc(Cl)c1 Amb17240748 [0,1,0,0,0,0|2,0,0]=3 145 B14R1.148 O=C(O)CC\C=C\c1cccc(F)c1 Amb17235891 [0,1,0,0,0,0|2,0,0]=3 146 B14R1.148 O=C(O)\C=C\C=C\c1cccc(Br)c1 Amb31141234 [0,1,0,0,0,0|2,0,1]=4 147 B14R1.148 O=C(O)\C=C\C=C\c1cccc(Cl)c1 Amb27824215 [0,1,0,0,0,0|2,0,1]=4 148 B14R1.148 O=C(O)\C=C\C=C\c1cccc(F)c1 Amb24652447 [0,1,0,0,0,0|2,0,1]=4 149 B14R1.148 O=C(O)\C=C\C=C\c1cccc(O)c1 Amb27824477 [0,1,0,0,0,0|2,0,1]=4 150 B14R1.159 CC(=O)CCCSc1ccccc1Br Amb9283522 [0,1,0,0,0,0|2,0,1]=4 151 B14R1.159 CC(=O)CCCSc1ccccc1C Amb32682860 [0,1,0,0,0,0|2,0,1]=4 152 B14R1.159 CC(=O)CCCSc1ccccc1Cl Amb9283485 [0,1,0,0,0,0|2,0,1]=4 153 B14R1.159 CC(=O)CCCSc1ccccc1F Amb9283476 [0,1,0,0,0,0|2,0,1]=4 154 B14R1.159 CC(=O)CCSCc1ccccc1C Amb32682895 [0,1,0,0,0,0|2,0,1]=4 155 B14R1.159 CC(=O)CCSCc1ccccc1Cl Amb32682891 [0,1,0,0,0,0|2,0,1]=4 156 B14R1.159 CC(=O)NCCNc1ccccc1C Amb27485613 [0,1,0,0,0,0|2,0,1]=4 157 B14R1.159 CC(=O)NCCNc1ccccc1N Amb9415066 [0,1,0,0,0,0|2,0,1]=4 158 B14R1.159 CC(=O)NCCOc1ccccc1Cl Amb6340266 [0,1,0,0,0,0|2,0,1]=4 159 B14R1.159 CC(=O)NCCOc1ccccc1F Amb6369742 [0,1,0,0,0,0|2,0,1]=4 160 B14R1.159 CC(=O)NCCOc1ccccc1N Amb17131704 [0,1,0,0,0,0|2,0,1]=4 161 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1Br Amb31141064 [0,1,0,0,0,0|1,0,1]=3 162 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1C Amb31185800 [0,1,0,0,0,0|1,0,1]=3 163 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1Cl Amb31117339 [0,1,0,0,0,0|1,0,1]=3 164 B14R1.159 CC(=O)\C=C\C=C\c1ccccc1F Amb31135000 [0,1,0,0,0,0|1,0,1]=3 165 B14R1.159 Cc1ccccc1\C=C\C=C\C(=O)O Amb31134949 [0,1,0,0,0,0|2,0,1]=4 166 B14R1.159 Cc1ccccc1\C=C\CCC(=O)O Amb8398526 [0,1,0,0,0,0|2,0,0]=3 167 B14R1.159 Nc1ccccc1\C=C\C=C\C(=O)O Amb27791740 [0,1,0,0,0,0|2,0,1]=4 168 B14R1.159 O=C(O)CC\C=C\c1ccccc1Cl Amb17240745 [0,1,0,0,0,0|2,0,0]=3 169 B14R1.159 O=C(O)CC\C=C\c1ccccc1F Amb17235888 [0,1,0,0,0,0|2,0,0]=3 170 B14R1.159 O=C(O)\C=C\C=C\c1ccccc1Br Amb31141238 [0,1,0,0,0,0|2,0,1]=4 171 B14R1.159 O=C(O)\C=C\C=C\c1ccccc1Cl Amb31117698 [0,1,0,0,0,0|2,0,1]=4 172 B14R1.159 O=C(O)\C=C\C=C\c1ccccc1F Amb31135018 [0,1,0,0,0,0|2,0,1]=4 173 B14R1.420 C=C(C)CCOC(=O)c1ccccc1 Amb28653458 [0,1,0,0,0,0|3,0,0]=4 174 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 Amb10562812 [0,1,0,0,0,0|2,0,0]=3 175 B14R1.420 CC(=O)CCNC(=O)c1cccnc1 Amb17102919 [0,1,0,0,0,0|3,0,0]=4 176 B14R1.420 CC(=O)CCNC(C)c1ccccc1 Amb32675821 [0,1,0,0,0,0|2,0,1]=4 177 B14R1.420 CC(C)=CCNC(=O)c1ccccc1 Amb28053871 [0,1,0,0,0,0|3,0,0]=4 178 B14R1.420 C\C(=C/CCC(=O)O)c1ccccc1 Amb17234905 [0,1,0,0,0,0|2,0,0]=3 179 B14R1.420 C\C(Cl)=C\CNC(=O)c1ccccc1 Amb27758776 [0,1,0,0,0,0|3,0,0]=4 180 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 Amb2117367 [0,1,0,0,0,0|3,0,0]=4 181 B14R1.420 NC(=O)N\N=C\C(=O)c1ccccc1 Amb27388759 [0,1,0,0,0,0|3,0,0]=4 182 B14R1.420 NC(=O)\C=C\C=C(/Cl)c1ccccc1 Amb27843462 [0,1,0,0,0,0|2,0,1]=4 183 B14R1.420 O=C(Cl)CCNC(=O)c1ccccc1 Amb5742599 [0,1,0,0,0,0|3,0,0]=4 184 B14R1.420 O=C(O)CCCC(=O)c1ccccc1 Amb2613191 [0,1,0,0,0,0|2,0,1]=4 185 B14R1.420 O=C(O)CCNC(=O)c1ccccc1 Amb1204269 [0,1,0,0,0,0|3,0,0]=4 186 B14R1.420 O=C(O)\C=C\C=C(/Cl)c1ccccc1 Amb28436693 [0,1,0,0,0,0|2,0,1]=4 187 B14R1.423 CC(=C\c1ccccc1)\C=C\C(=O)O Amb27624152 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 Amb8440130 [0,1,0,0,0,0|2,0,0]=3 189 B14R1.423 CC(=O)CCC(=O)Nc1ccccn1 Amb30010739 [0,1,0,0,0,0|3,0,0]=4 190 B14R1.423 CC(=O)CCC(=O)Nc1cccnc1 Amb27407124 [0,1,0,0,0,0|3,0,0]=4 191 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 Amb17401563 [0,1,0,0,0,0|2,0,1]=4 192 B14R1.423 CC(=O)CC\C(C)=C\c1ccccc1 Amb33381234 [0,1,0,0,0,0|1,0,0]=2 193 B14R1.423 CC(=O)CNC(=O)Nc1ccccc1 Amb27228462 [0,1,0,0,0,0|3,0,0]=4 194 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 Amb8332419 [0,1,0,0,0,0|2,0,0]=3 195 B14R1.423 CC(=O)NCC(=O)Nc1cccnc1 Amb25082691 [0,1,0,0,0,0|3,0,0]=4 196 B14R1.423 CC(=O)NCC(C)Nc1ccccc1 Amb27646688 [0,1,0,0,0,0|2,0,1]=4 197 B14R1.423 CC(=O)NNC(=O)Cc1ccccc1 Amb3713082 [0,1,0,0,0,0|2,0,1]=4 198 B14R1.423 CC(=O)NNC(=O)Nc1ccccc1 Amb3375183 [0,1,0,0,0,0|3,0,0]=4 199 B14R1.423 CC(=O)NNC(=S)Nc1ccccc1 Amb6550509 [0,1,0,0,0,0|3,0,0]=4 200 B14R1.423 CC(=O)N\N=C(\N)Cc1ccccc1 Amb27803656 [0,1,0,0,0,0|2,0,1]=4 201 B14R1.423 CC(=O)ONC(=O)Nc1ccccc1 Amb28325851 [0,1,0,0,0,0|2,0,0]=3 202 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 Amb27585790 [0,1,0,0,0,0|1,1,0]=3 203 B14R1.423 CC(=O)\C=C\C(=O)Nc1ccccc1 Amb26619740 [0,1,0,0,0,0|2,0,1]=4 204 B14R1.423 CC(=O)\C=C\C(C)=C\c1ccccc1 Amb33381231 [0,1,0,0,0,0|1,0,1]=3 205 B14R1.423 CC(C)=CCC(=O)Cc1ccccc1 Amb17594894 [0,1,0,0,0,0|2,0,1]=4 206 B14R1.423 CC(\C=C\C(=O)O)=C/c1ccccc1 Amb33082115 [0,1,0,0,0,0|2,0,1]=4 207 B14R1.423 CC(\C=C\C(N)=O)=C/c1ccccc1 Amb17143047 [0,1,0,0,0,0|2,0,1]=4 208 B14R1.423 C\C(=C/c1ccccc1)CCC(=O)O Amb32951236 [0,1,0,0,0,0|2,0,0]=3 209 B14R1.423 C\C(=C/c1ccccc1)CCC(C)N Amb33476718 [0,1,0,0,0,0|2,0,1]=4 210 B14R1.423 C\C(=C/c1ccccc1)CCC(C)O Amb33476722 [0,1,0,0,0,0|1,0,2]=4 211 B14R1.423 C\C(=C/c1ccccc1)CC[C@@H](C)N Amb33476737 [0,1,0,0,0,0|2,0,1]=4 212 B14R1.423 C\C(=C/c1ccccc1)CC[C@@H](C)O Amb33476735 [0,1,0,0,0,0|1,0,2]=4 213 B14R1.423 C\C(=C/c1ccccc1)CC[C@H](C)N Amb33476741 [0,1,0,0,0,0|2,0,1]=4 214 B14R1.423 C\C(=C/c1ccccc1)CC[C@H](C)O Amb33476731 [0,1,0,0,0,0|1,0,2]=4 215 B14R1.423 C\C(=C/c1ccccc1)CC[N+](=O)[O-] Amb33380908 [0,1,0,0,0,0|3,0,0]=4 216 B14R1.423 C\C(=C/c1ccccc1)CNC(C)C Amb19892839 [0,1,0,0,0,0|2,0,1]=4 217 B14R1.423 C\C(=C/c1ccccc1)CNC(C)C Amb20673473 [0,1,0,0,0,0|2,0,1]=4 218 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 Amb17143108 [0,1,0,0,0,0|3,0,0]=4 219 B14R1.423 NC(=O)OCC(N)Cc1ccccc1 Amb28653362 [0,1,0,0,0,0|1,0,2]=4 220 B14R1.423 NC(=O)SCC(=O)Nc1ccccc1 Amb1813477 [0,1,0,0,0,0|2,1,0]=4 221 B14R1.423 NC(=O)\C=C\C(Cl)=C\c1ccccc1 Amb27843448 [0,1,0,0,0,0|2,0,1]=4 222 B14R1.423 O=C(O)CCC(=O)Nc1ccccc1 Amb6335580 [0,1,0,0,0,0|3,0,0]=4 223 B14R1.423 O=C(S)CCC(=O)Nc1ccccc1 Amb28121969 [0,1,0,0,0,0|3,0,0]=4 224 B14R1.677 CC(=O)CCCCc1ccc(Br)cc1 Amb17264251 [0,1,0,0,0,0|1,0,2]=4 225 B14R1.677 CC(=O)CCCCc1ccc(F)cc1 Amb17235953 [0,1,0,0,0,0|1,0,2]=4 226 B14R1.677 CC(=O)CCCSc1ccc(Br)cc1 Amb9283493 [0,1,0,0,0,0|2,0,1]=4 227 B14R1.677 CC(=O)CCCSc1ccc(C)cc1 Amb9283949 [0,1,0,0,0,0|2,0,1]=4 228 B14R1.677 CC(=O)CCCSc1ccc(Cl)cc1 Amb9283484 [0,1,0,0,0,0|2,0,1]=4 229 B14R1.677 CC(=O)CCCSc1ccc(F)cc1 Amb9283474 [0,1,0,0,0,0|2,0,1]=4 230 B14R1.677 CC(=O)CCSCc1ccc(Cl)cc1 Amb32682892 [0,1,0,0,0,0|2,0,1]=4 231 B14R1.677 CC(=O)CC\C=C\c1ccc(Br)cc1 Amb18228461 [0,1,0,0,0,0|1,0,0]=2 232 B14R1.677 CC(=O)CC\C=C\c1ccc(C)cc1 Amb18224841 [0,1,0,0,0,0|1,0,0]=2 233 B14R1.677 CC(=O)CC\C=C\c1ccc(Cl)cc1 Amb18865910 [0,1,0,0,0,0|1,0,0]=2 234 B14R1.677 CC(=O)CC\C=C\c1ccc(F)cc1 Amb18863723 [0,1,0,0,0,0|1,0,0]=2 235 B14R1.677 CC(=O)NCC#Cc1ccc(F)cc1 Amb27759375 [0,1,0,0,0,0|1,0,2]=4 236 B14R1.677 CC(=O)NCCCc1ccc(N)cc1 Amb17139367 [0,1,0,0,0,0|1,0,2]=4 237 B14R1.677 CC(=O)NCCNc1ccc(F)cc1 Amb18270423 [0,1,0,0,0,0|2,0,1]=4 238 B14R1.677 CC(=O)NCCNc1ccc(N)cc1 Amb9415054 [0,1,0,0,0,0|2,0,1]=4 239 B14R1.677 CC(=O)NCCOc1ccc(Br)cc1 Amb1094624 [0,1,0,0,0,0|2,0,1]=4 240 B14R1.677 CC(=O)NCCOc1ccc(C)cc1 Amb1014121 [0,1,0,0,0,0|2,0,1]=4 241 B14R1.677 CC(=O)NCCOc1ccc(Cl)cc1 Amb1014120 [0,1,0,0,0,0|2,0,1]=4 242 B14R1.677 CC(=O)NCCOc1ccc(F)cc1 Amb6340267 [0,1,0,0,0,0|2,0,1]=4 243 B14R1.677 CC(=O)NCCOc1ccc(N)cc1 Amb16229560 [0,1,0,0,0,0|2,0,1]=4 244 B14R1.677 CC(=O)NCCOc1ccc(O)cc1 Amb6353790 [0,1,0,0,0,0|2,0,1]=4 245 B14R1.677 CC(=O)NCCSc1ccc(O)cc1 Amb19514711 [0,1,0,0,0,0|2,0,1]=4 246 B14R1.677 CC(=O)OCCCc1ccc(Br)cc1 Amb24046248 [0,1,0,0,0,0|0,0,2]=3 247 B14R1.677 CC(=O)OCCOc1ccc(Br)cc1 Amb22493613 [0,1,0,0,0,0|1,0,1]=3 248 B14R1.677 CC(=O)OCCOc1ccc(C)cc1 Amb22735029 [0,1,0,0,0,0|1,0,1]=3 249 B14R1.677 CC(=O)\C=C\C=C\c1ccc(Br)cc1 Amb31141062 [0,1,0,0,0,0|1,0,1]=3 250 B14R1.677 CC(=O)\C=C\C=C\c1ccc(C)cc1 Amb31185802 [0,1,0,0,0,0|1,0,1]=3 251 B14R1.677 CC(=O)\C=C\C=C\c1ccc(Cl)cc1 Amb31117341 [0,1,0,0,0,0|1,0,1]=3 252 B14R1.677 CC(=O)\C=C\C=C\c1ccc(F)cc1 Amb31135001 [0,1,0,0,0,0|1,0,1]=3 253 B14R1.677 CC(C)NC\C=C\c1ccc(Cl)cc1 Amb9172594 [0,1,0,0,0,0|2,0,1]=4 254 B14R1.677 CC(N)CC\C=C\c1ccc(F)cc1 Amb33202737 [0,1,0,0,0,0|2,0,1]=4 255 B14R1.677 CC(O)CC\C=C\c1ccc(F)cc1 Amb33202736 [0,1,0,0,0,0|1,0,2]=4 256 B14R1.677 C[C@@H](N)CC\C=C\c1ccc(F)cc1 Amb33202733 [0,1,0,0,0,0|2,0,1]=4 257 B14R1.677 C[C@@H](O)CC\C=C\c1ccc(F)cc1 Amb33202734 [0,1,0,0,0,0|1,0,2]=4 258 B14R1.677 C[C@H](N)CC\C=C\c1ccc(F)cc1 Amb33202438 [0,1,0,0,0,0|2,0,1]=4 259 B14R1.677 C[C@H](O)CC\C=C\c1ccc(F)cc1 Amb33202735 [0,1,0,0,0,0|1,0,2]=4 260 B14R1.677 Cc1ccc(\C=C\C=C\C(=O)O)cc1 Amb31134951 [0,1,0,0,0,0|2,0,1]=4 261 B14R1.677 Cc1ccc(\C=C\CCC(=O)O)cc1 Amb17234906 [0,1,0,0,0,0|2,0,0]=3 262 B14R1.677 NC(=O)\C=C\C=C\c1ccc(Br)cc1 Amb27655910 [0,1,0,0,0,0|2,0,1]=4 263 B14R1.677 NC(=O)\C=C\C=C\c1ccc(F)cc1 Amb27843455 [0,1,0,0,0,0|2,0,1]=4 264 B14R1.677 O=C(O)CC\C=C\c1ccc(Br)cc1 Amb17264238 [0,1,0,0,0,0|2,0,0]=3 265 B14R1.677 O=C(O)CC\C=C\c1ccc(Cl)cc1 Amb17240737 [0,1,0,0,0,0|2,0,0]=3 266 B14R1.677 O=C(O)CC\C=C\c1ccc(F)cc1 Amb17235885 [0,1,0,0,0,0|2,0,0]=3 267 B14R1.677 O=C(O)\C=C\C=C\c1ccc(Br)cc1 Amb28073739 [0,1,0,0,0,0|2,0,1]=4 268 B14R1.677 O=C(O)\C=C\C=C\c1ccc(Cl)cc1 Amb27663833 [0,1,0,0,0,0|2,0,1]=4 269 B14R1.677 O=C(O)\C=C\C=C\c1ccc(F)cc1 Amb27824064 [0,1,0,0,0,0|2,0,1]=4 270 B14R1.677 O=C(O)\C=C\C=C\c1ccc(I)cc1 Amb27610414 [0,1,0,0,0,0|2,0,1]=4 271 B14R1.716 CC(C=O)OCC#Cc1ccccc1 Amb28144073 [0,1,0,0,0,0|0,0,3]=4 272 B14R1.716 CCC(=O)CCCSc1ccccc1 Amb32682990 [0,1,0,0,0,0|2,0,1]=4 273 B14R1.716 CCC(=O)CCNCc1ccccc1 Amb25040589 [0,1,0,0,0,0|2,0,1]=4 274 B14R1.716 CCC(=O)NCNCc1ccccc1 Amb28252142 [0,1,0,0,0,0|2,0,1]=4 275 B14R1.716 CCC(=O)OCCOc1ccccc1 Amb4005896 [0,1,0,0,0,0|1,0,1]=3 276 B14R1.716 CCC(C)NC\C=C\c1ccccc1 Amb1922704 [0,1,0,0,0,0|2,0,1]=4 277 B14R1.716 CCC(C)NC\C=C\c1ccccc1 Amb6864747 [0,1,0,0,0,0|2,0,1]=4 278 B14R1.716 CNC(=O)CCOCc1ccccc1 Amb26361930 [0,1,0,0,0,0|2,0,1]=4 279 B14R1.716 CNC(=O)NCCNc1ccccc1 Amb27764648 [0,1,0,0,0,0|2,0,1]=4 280 B14R1.716 CNC(=O)OCCOc1ccccc1 Amb24081214 [0,1,0,0,0,0|1,0,1]=3 281 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [0,1,0,0,0,0|1,0,2]=4 282 B14R1.716 COC(=O)CCCSc1ccccc1 Amb8950459 [0,1,0,0,0,0|2,0,1]=4 283 B14R1.716 COC(=O)CCNCc1ccccc1 Amb288483 [0,1,0,0,0,0|2,0,1]=4 284 B14R1.716 COC(=O)CCNCc1ccccc1 Amb996333 [0,1,0,0,0,0|2,0,1]=4 285 B14R1.716 COC(=O)CCOCc1ccccc1 Amb7773811 [0,1,0,0,0,0|2,0,1]=4 286 B14R1.716 COC(=O)NCC#Cc1ccccc1 Amb24374036 [0,1,0,0,0,0|1,0,2]=4 287 B14R1.716 COC(=O)N\C=C\Sc1ccccc1 Amb28052640 [0,1,0,0,0,0|2,0,1]=4 288 B14R1.716 N=C(NN)NC\C=C\c1ccccc1 Amb24515139 [0,1,0,0,0,0|3,0,0]=4 289 B14R1.716 NCC(=O)NCCCc1ccccc1 Amb5783138 [0,1,0,0,0,0|1,0,2]=4 290 B14R1.716 NCC(=O)NCCOc1ccccc1 Amb17235931 [0,1,0,0,0,0|2,0,1]=4 291 B14R1.716 O=C(CBr)NCCCc1ccccc1 Amb17323643 [0,1,0,0,0,0|1,0,2]=4 292 B14R1.716 O=C(CBr)NCCOc1ccccc1 Amb17333035 [0,1,0,0,0,0|2,0,1]=4 293 B14R1.716 O=C(CCl)NCC#Cc1ccccc1 Amb19514326 [0,1,0,0,0,0|1,0,2]=4 294 B14R1.716 O=C(CCl)NCCCc1ccccc1 Amb1103589 [0,1,0,0,0,0|1,0,2]=4 295 B14R1.716 O=C(CCl)NCCOc1ccccc1 Amb6336217 [0,1,0,0,0,0|2,0,1]=4 296 B14R1.716 O=C(CCl)NCCSc1ccccc1 Amb1657260 [0,1,0,0,0,0|2,0,1]=4 297 B14R1.716 O=C(CCl)NC\C=C\c1ccccc1 Amb31158323 [0,1,0,0,0,0|1,0,0]=2 298 B14R1.716 O=C(CCl)OCCCc1ccccc1 Amb3372153 [0,1,0,0,0,0|0,0,2]=3 299 B14R1.716 O=C(CO)CCOCc1ccccc1 Amb28139815 [0,1,0,0,0,0|2,0,1]=4 300 B14R1.716 O=CC(=O)OCC#Cc1ccccc1 Amb28194554 [0,1,0,0,0,0|0,0,3]=4 301 B14R1.818 C=C(\C=C\c1ccccc1)NC(C)=O Amb27210869 [0,1,0,0,0,0|1,0,1]=3 302 B14R1.818 CC(=C\C(=O)O)\C=C\c1ccccc1 Amb533208 [0,1,0,0,0,0|2,0,1]=4 303 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,1,0,0,0,0|1,0,1]=3 304 B14R1.818 CC(=O)CC(C)OCc1ccccc1 Amb28319449 [0,1,0,0,0,0|2,0,1]=4 305 B14R1.818 CC(=O)CC(C)SCc1ccccc1 Amb32683046 [0,1,0,0,0,0|2,0,1]=4 306 B14R1.818 CC(=O)NC(=O)\C=C/c1ccccn1 Amb27464445 [0,1,0,0,0,0|2,0,1]=4 307 B14R1.818 CC(=O)NC(=O)\C=C\c1ccccn1 Amb27879510 [0,1,0,0,0,0|2,0,1]=4 308 B14R1.818 CC(=O)NC(C)NCc1ccccc1 Amb27773815 [0,1,0,0,0,0|2,0,1]=4 309 B14R1.818 CC(=O)OC(C)C#Cc1ccccc1 Amb25676953 [0,1,0,0,0,0|0,0,2]=3 310 B14R1.818 CC(=O)OC(C)CCc1ccccc1 Amb4034624 [0,1,0,0,0,0|0,0,2]=3 311 B14R1.818 CC(\C=C/c1ccccc1)=C\C(=O)[O-] Amb533482 [0,1,0,0,0,0|2,0,1]=4 312 B14R1.818 CC(\C=C\c1ccccc1)=C/C(=O)O Amb28524781 [0,1,0,0,0,0|2,0,1]=4 313 B14R1.818 CC(\C=C\c1ccccc1)CC(=O)O Amb32952094 [0,1,0,0,0,0|2,0,0]=3 314 B14R1.818 NC(=O)NC(=O)\C=C\c1ccccc1 Amb25291849 [0,1,0,0,0,0|2,0,1]=4 315 B14R1.818 NC(\C=C\c1ccccc1)CC(=O)O Amb32954178 [0,1,0,0,0,0|2,0,0]=3 316 B14R1.818 O=C(O)CC(O)\C=C\c1ccccc1 Amb32954523 [0,1,0,0,0,0|2,0,0]=3 317 B14R1.818 O=C(O)C[C@@H](O)\C=C\c1ccccc1 Amb33082662 [0,1,0,0,0,0|2,0,0]=3 318 B14R1.818 O=C(O)C[C@H](O)\C=C\c1ccccc1 Amb32954719 [0,1,0,0,0,0|2,0,0]=3 319 B14R1.818 O=C(O)\C=C(O)/C=C/c1ccccc1 Amb27776832 [0,1,0,0,0,0|2,0,1]=4 320 B14R1.818 O=C(O)\C=C(O)\C=C\c1ccccc1 Amb27191512 [0,1,0,0,0,0|2,0,1]=4 321 B14R1.3331 CC(C)(C)NC\C=C\c1ccccc1 Amb837973 [0,1,0,0,0,0|2,0,1]=4 322 B14R1.3331 CC(C)(N)CC\C=C\c1ccccc1 Amb18863479 [0,1,0,0,0,0|2,0,1]=4 323 B14R1.3331 CC(C)(O)CC\C=C\c1ccccc1 Amb18224851 [0,1,0,0,0,0|1,0,2]=4 324 B14R1.3331 CS(=O)(=O)OCCCc1ccccc1 Amb27215331 [0,1,0,0,0,0|1,0,2]=4 325 B14R1.3331 CS(=O)(=O)OCCNc1ccccc1 Amb27957907 [0,1,0,0,0,0|2,0,1]=4 326 B14R1.3331 CS(=O)(=O)OCCOc1ccccc1 Amb4035420 [0,1,0,0,0,0|2,0,1]=4 327 B14R1.3331 NS(=O)(=O)CC\C=C\c1ccccc1 Amb32715427 [0,1,0,0,0,0|3,0,0]=4 328 B14R1.3331 NS(=O)(=O)OC\C=C\c1ccccc1 Amb33081761 [0,1,0,0,0,0|2,0,0]=3 329 B14R1.3331 O=S(=O)(Cl)CC\C=C\c1ccccc1 Amb18868874 [0,1,0,0,0,0|3,0,0]=4 330 B14R1.3331 O=S(=O)(F)CC\C=C\c1ccccc1 Amb33076714 [0,1,0,0,0,0|3,0,0]=4 331 B14R1.6449 CC(=O)C(=O)\C=C/Nc1ccccc1 Amb28187044 [0,1,0,0,0,0|2,0,1]=4 332 B14R1.6449 CC(=O)[C@H](C)COCc1ccccc1 Amb27750417 [0,1,0,0,0,0|2,0,1]=4 333 B14R1.6449 CC(=O)\C(C)=C\C=C\c1ccccc1 Amb28401501 [0,1,0,0,0,0|1,0,1]=3 334 B14R1.6449 CC(C\C=C\c1ccccc1)C(=O)O Amb33082406 [0,1,0,0,0,0|2,0,0]=3 335 B14R1.6449 CN(C)C(=O)C\C=C\c1ccccc1 Amb24110298 [0,1,0,0,0,0|3,0,0]=4 336 B14R1.6449 C[C@H](N\C=C\c1ccccc1)C(=O)O Amb16231751 [0,1,0,0,0,0|3,0,0]=4 337 B14R1.6449 C\C(=C/C=C/c1ccccc1)C(=O)O Amb615987 [0,1,0,0,0,0|2,0,1]=4 338 B14R1.6449 C\C(=C\C=C\c1ccccc1)C(N)=O Amb27818106 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.6449 NC(C\C=C\c1ccccc1)C(=O)O Amb6270143 [0,1,0,0,0,0|2,0,0]=3 340 B14R1.6449 N[C@@H](C\C=C\c1ccccc1)C(=O)O Amb22746168 [0,1,0,0,0,0|2,0,0]=3 341 B14R1.6449 N[C@H](C\C=C\c1ccccc1)C(=O)O Amb34912482 [0,1,0,0,0,0|2,0,0]=3 342 B14R1.6449 O=C(O)C(=O)C\C=C\c1ccccc1 Amb33081312 [0,1,0,0,0,0|2,0,0]=3 343 B14R1.6449 O=C(O)C(O)C\C=C\c1ccccc1 Amb32954515 [0,1,0,0,0,0|2,0,0]=3 344 B14R1.6449 O=C(O)\C(O)=C\C=C\c1ccccc1 Amb27863562 [0,1,0,0,0,0|2,0,1]=4 345 B14R1.6449 O=C(O)\C(S)=C/C=C/c1ccccc1 Amb2480105 [0,1,0,0,0,0|2,0,1]=4 346 B14R1.6449 O=C(O)\C(S)=C\C=C\c1ccccc1 Amb1218848 [0,1,0,0,0,0|2,0,1]=4 347 B14R2.2 C=C(Cl)CC1C=Cc2ccccc21 Amb27187397 [0,0,0,1,0,0|2,0,1]=4 348 B14R2.2 CC(=O)CC1CCc2ccccc21 Amb26020778 [0,0,0,1,0,0|1,0,2]=4 349 B14R2.2 CC(=O)Cc1coc2ccccc12 Amb25861273 [0,0,0,1,0,0|2,0,1]=4 350 B14R2.2 CC(=O)Cc1csc2ccccc12 Amb17594971 [0,0,0,1,0,0|2,0,1]=4 351 B14R2.2 CC(=O)Cn1ccc2ccccc21 Amb18185769 [0,0,0,1,0,0|2,0,0]=3 352 B14R2.2 CC(=O)Cn1cnc2ccccc21 Amb9215880 [0,0,0,1,0,0|3,0,0]=4 353 B14R2.2 CC(=O)NC1=CCc2ccccc21 Amb22270448 [0,0,0,1,0,0|1,0,2]=4 354 B14R2.2 CC(=O)NC1CCc2ccccc21 Amb8391858 [0,0,0,1,0,0|1,0,2]=4 355 B14R2.2 CC(=O)NC1CSc2ccccc21 Amb27753570 [0,0,0,1,0,0|2,0,1]=4 356 B14R2.2 CC(=O)N[C@@H]1CCc2ccccc21 Amb28255664 [0,0,0,1,0,0|1,0,2]=4 357 B14R2.2 CC(=O)N[C@H]1CCc2ccccc21 Amb27167719 [0,0,0,1,0,0|1,0,2]=4 358 B14R2.2 CC(=O)Nc1coc2ccccc12 Amb1102596 [0,0,0,1,0,0|2,0,1]=4 359 B14R2.2 CC(=O)Nc1csc2ccccc12 Amb10810744 [0,0,0,1,0,0|2,0,1]=4 360 B14R2.2 CC(=O)Nn1ccc2ccccc21 Amb27491614 [0,0,0,1,0,0|2,0,0]=3 361 B14R2.2 CC(=O)OC1CCc2ccccc21 Amb24323359 [0,0,0,1,0,0|0,0,2]=3 362 B14R2.2 CC(=O)OC1CCc2cccnc21 Amb22497182 [0,0,0,1,0,0|1,0,2]=4 363 B14R2.2 CC(=O)Oc1coc2ccccc12 Amb6357855 [0,0,0,1,0,0|1,0,1]=3 364 B14R2.2 CC(=O)Oc1coc2cccnc12 Amb27246772 [0,0,0,1,0,0|2,0,1]=4 365 B14R2.2 CC(=O)Oc1csc2cccnc12 Amb27186114 [0,0,0,1,0,0|2,0,1]=4 366 B14R2.2 CC(=O)Oc1noc2ccccc12 Amb27158049 [0,0,0,1,0,0|2,0,1]=4 367 B14R2.2 NC(=O)Cn1ccc2ccccc21 Amb1951914 [0,0,0,1,0,0|3,0,0]=4 368 B14R2.2 O=C(O)CC1C=Cc2ccccc21 Amb17470502 [0,0,0,1,0,0|2,0,0]=3 369 B14R2.2 O=C(O)CC1C=Nc2ccccc21 Amb24078946 [0,0,0,1,0,0|3,0,0]=4 370 B14R2.2 O=C(O)CC1N=Cc2ccccc21 Amb2707418 [0,0,0,1,0,0|3,0,0]=4 371 B14R2.2 O=C(O)Cn1ccc2ccccc21 Amb1783750 [0,0,0,1,0,0|3,0,0]=4 372 B14R2.2 O=C(O)\C=C1\C=Cc2ccccc21 Amb27187386 [0,0,0,1,0,0|2,0,1]=4 373 B14R2.19 CC1=CCC(Cc2ccccc2)=C1 Amb27398578 [0,0,0,1,0,0|2,0,1]=4 374 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [0,0,0,1,0,0|1,0,2]=4 375 B14R2.19 Cc1nc(Cc2ccccc2)no1 Amb25760165 [0,0,0,1,0,0|2,0,1]=4 376 B14R2.19 NC1CC\C(=C\c2ccccc2)C1 Amb27830475 [0,0,0,1,0,0|2,0,1]=4 377 B14R2.19 O=C1C=C(Cc2ccccc2)CC1 Amb25900544 [0,0,0,1,0,0|1,0,2]=4 378 B14R2.19 O=C1C=C(Nc2ccccc2)CC1 Amb3499135 [0,0,0,1,0,0|2,0,1]=4 379 B14R2.19 O=C1C=C(Nc2ccccc2)CN1 Amb4314408 [0,0,0,1,0,0|2,0,1]=4 380 B14R2.19 O=C1C=C(Sc2ccccc2)CO1 Amb21928058 [0,0,0,1,0,0|1,0,1]=3 381 B14R2.19 O=C1C=C\C(=C/c2ccccc2)N1 Amb27423284 [0,0,0,1,0,0|2,0,1]=4 382 B14R2.19 O=C1C=C\C(=C/c2ccccc2)O1 Amb28242947 [0,0,0,1,0,0|2,0,1]=4 383 B14R2.19 O=C1CC(Cc2ccccc2)=NO1 Amb1099037 [0,0,0,1,0,0|1,0,1]=3 384 B14R2.19 O=C1CC(Cc2ccccc2)CN1 Amb10608007 [0,0,0,1,0,0|1,0,2]=4 385 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [0,0,0,1,0,0|0,0,2]=3 386 B14R2.19 O=C1CC(Nc2ccccc2)=NN1 Amb4301424 [0,0,0,1,0,0|3,0,0]=4 387 B14R2.19 O=C1CC(Nc2ccccc2)CO1 Amb27415556 [0,0,0,1,0,0|1,0,1]=3 388 B14R2.19 O=C1CCC(Cc2ccccc2)C1 Amb24455173 [0,0,0,1,0,0|1,0,2]=4 389 B14R2.19 O=C1CCC(Nc2ccccc2)C1 Amb28137731 [0,0,0,1,0,0|2,0,1]=4 390 B14R2.19 O=C1CCC(Sc2ccccc2)C1 Amb25815229 [0,0,0,1,0,0|2,0,1]=4 391 B14R2.19 O=C1CCN(Cc2ccccc2)C1 Amb1680105 [0,0,0,1,0,0|2,0,1]=4 392 B14R2.19 O=C1CCN(Cc2ccccc2)C1 Amb18048933 [0,0,0,1,0,0|2,0,1]=4 393 B14R2.19 O=C1CC\[N+](=C/c2ccccc2)[N-]1 Amb2423893 [0,0,0,1,0,0|3,0,0]=4 394 B14R2.19 O=C1CN(Cc2ccccc2)CO1 Amb27861590 [0,0,0,1,0,0|1,0,1]=3 395 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CN1 Amb27777300 [0,0,0,1,0,0|1,0,2]=4 396 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [0,0,0,1,0,0|1,0,2]=4 397 B14R2.19 O=C1NC(Oc2ccccc2)=NO1 Amb27815250 [0,0,0,1,0,0|3,0,0]=4 398 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [0,0,0,1,0,0|1,0,2]=4 399 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [0,0,0,1,0,0|1,0,2]=4 400 B14R2.19 O=C1N\C(=C/c2ccccc2)CO1 Amb27815226 [0,0,0,1,0,0|1,0,0]=2 401 B14R2.19 O=C1N\C(=C\c2ccccc2)CO1 Amb27981988 [0,0,0,1,0,0|1,0,0]=2 402 B14R2.19 O=C1N\C(=N/c2ccccc2)CS1 Amb2961402 [0,0,0,1,0,0|2,1,0]=4 403 B14R2.19 OC1C\C(=C\c2ccccc2)CO1 Amb22522086 [0,0,0,1,0,0|0,0,2]=3 404 B14R2.21 CC1OCN=C(c2ccccc2)S1 Amb28243527 [0,0,0,1,0,0|1,1,1]=4 405 B14R2.21 Cc1cc(-c2ccccc2)ccn1 Amb23441703 [0,0,0,1,0,0|2,0,1]=4 406 B14R2.21 Cc1cccc(-c2ccccc2)c1 Amb2778776 [0,0,0,1,0,0|2,0,1]=4 407 B14R2.21 Cc1cccc(-c2ccccc2)n1 Amb4009805 [0,0,0,1,0,0|2,0,1]=4 408 B14R2.21 Cc1cncc(-c2ccccc2)c1 Amb15691063 [0,0,0,1,0,0|3,0,0]=4 409 B14R2.21 Cc1cncc(-c2ccccc2)n1 Amb22753717 [0,0,0,1,0,0|3,0,0]=4 410 B14R2.21 Cc1nccc(-c2ccccc2)n1 Amb2609742 [0,0,0,1,0,0|2,0,1]=4 411 B14R2.21 NC1=CC(c2ccccc2)=CCN1 Amb28118874 [0,0,0,1,0,0|2,0,1]=4 412 B14R2.21 NC1=NC(c2ccccc2)=CCS1 Amb28243466 [0,0,0,1,0,0|2,1,0]=4 413 B14R2.21 O=C1C=C(c2ccccc2)C=CO1 Amb27480961 [0,0,0,1,0,0|0,0,2]=3 414 B14R2.21 O=C1C=C(c2ccccc2)C=NN1 Amb25859226 [0,0,0,1,0,0|2,0,1]=4 415 B14R2.21 O=C1C=C(c2ccccc2)CCC1 Amb2613651 [0,0,0,1,0,0|1,0,2]=4 416 B14R2.21 O=C1C=C(c2ccccc2)OCC1 Amb22750040 [0,0,0,1,0,0|2,0,1]=4 417 B14R2.21 O=C1C=CC=C(c2ccccc2)N1 Amb19517397 [0,0,0,1,0,0|2,0,1]=4 418 B14R2.21 O=C1C=NN=C(c2ccccc2)C1 Amb27205050 [0,0,0,1,0,0|3,0,0]=4 419 B14R2.21 O=C1CC(c2ccccc2)CCN1 Amb20171612 [0,0,0,1,0,0|1,0,2]=4 420 B14R2.21 O=C1CC(c2ccccc2)CCO1 Amb22499444 [0,0,0,1,0,0|0,0,2]=3 421 B14R2.21 O=C1CCCC(c2ccccc2)C1 Amb18065540 [0,0,0,1,0,0|1,0,2]=4 422 B14R2.21 O=C1CCC[C@H](c2ccccc2)C1 Amb26881373 [0,0,0,1,0,0|1,0,2]=4 423 B14R2.21 O=C1CCNC(c2ccccc2)C1 Amb17233086 [0,0,0,1,0,0|2,0,1]=4 424 B14R2.21 O=C1CCNC(c2ccccc2)C1 Amb22274020 [0,0,0,1,0,0|2,0,1]=4 425 B14R2.21 O=C1CCN[C@@H](c2ccccc2)C1 Amb27828475 [0,0,0,1,0,0|2,0,1]=4 426 B14R2.21 O=C1CCN[C@H](c2ccccc2)C1 Amb27230890 [0,0,0,1,0,0|2,0,1]=4 427 B14R2.21 O=C1CCOC(c2ccccc2)C1 Amb19957821 [0,0,0,1,0,0|2,0,1]=4 428 B14R2.21 O=C1CN(c2ccccc2)C=NN1 Amb845410 [0,0,0,1,0,0|3,0,0]=4 429 B14R2.21 O=C1CSC=C(c2ccccc2)N1 Amb27863743 [0,0,0,1,0,0|3,0,0]=4 430 B14R2.21 O=C1C[C@@H](c2ccccc2)CCO1 Amb27187321 [0,0,0,1,0,0|0,0,2]=3 431 B14R2.21 O=C1N=C(c2ccccc2)C=NN1 Amb20651377 [0,0,0,1,0,0|3,0,0]=4 432 B14R2.21 O=C1NC(c2ccccc2)CCO1 Amb27481645 [0,0,0,1,0,0|1,0,2]=4 433 B14R2.21 O=C1NN(c2ccccc2)CCO1 Amb27826339 [0,0,0,1,0,0|2,0,1]=4 434 B14R2.391 O=C1C=CC=Cc2ccccc2N1 Amb6359617 [0,0,0,1,0,0|2,0,1]=4 435 B14R2.391 O=C1CCCCc2ccccc2C1 Amb27260503 [0,0,0,1,0,0|1,0,2]=4 436 B14R2.391 O=C1Cc2ccccc2CCCN1 Amb28252381 [0,0,0,1,0,0|1,0,2]=4 437 B14R2.436 O=C1CC(CCc2ccccc2)C1 Amb27235487 [0,0,0,1,0,0|1,0,2]=4 438 B14R2.436 O=C1CC(OCc2ccccc2)C1 Amb10844904 [0,0,0,1,0,0|2,0,1]=4 439 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [0,0,0,1,0,0|1,0,2]=4 440 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [0,0,0,1,0,0|1,0,2]=4 441 B14R2.764 CC(=O)C1C\C1=C/c2ccccc2 Amb27854648 [0,0,0,1,0,0|1,0,0]=2 442 B14R2.764 CC(O)C1C\C1=C/c2ccccc2 Amb28350149 [0,0,0,1,0,0|1,0,2]=4 443 B14R2.780 CC(=O)C1=C(c2ccccc2)CC1 Amb28062994 [0,0,0,1,0,0|1,0,1]=3 444 B14R2.780 CC(=O)[C@H]1CC[C@@H]1c2ccccc2 Amb27427949 [0,0,0,1,0,0|1,0,2]=4 445 B14R2.790 CC(=O)CC1OC1c2ccccc2 Amb27750372 [0,0,0,1,0,0|2,0,1]=4 446 B14R2.790 CC(=O)NC1CC1c2ccccc2 Amb6359955 [0,0,0,1,0,0|1,0,2]=4 447 B14R2.790 CC(=O)N[C@@H]1C[C@H]1c2ccccc2 Amb24273291 [0,0,0,1,0,0|1,0,2]=4 448 B14R2.3018 C(=C\c1ccccc1)/CNC2CC2 Amb6865439 [0,0,0,1,0,0|2,0,1]=4 449 B14R2.3018 C(=C\c1ccccc1)/CNC2CC2 Amb9172372 [0,0,0,1,0,0|2,0,1]=4 450 B14R2.31137 CC(=O)OCC1Cc2ccccc21 Amb27774602 [0,0,0,1,0,0|0,0,2]=3 451 B14R2.31359 C=C(C)c1cccc2ccccc12 Amb25130722 [0,0,0,1,0,0|2,0,1]=4 452 B14R2.31359 CC(=O)C1CCCc2ccccc21 Amb18183860 [0,0,0,1,0,0|1,0,2]=4 453 B14R2.31359 CC(=O)C1CNCc2ccccc21 Amb27415059 [0,0,0,1,0,0|2,0,1]=4 454 B14R2.31359 CC(=O)N1CC=Cc2ccccc21 Amb26639322 [0,0,0,1,0,0|1,0,0]=2 455 B14R2.31359 CC(=O)N1CCCc2ccccc21 Amb6340880 [0,0,0,1,0,0|1,0,2]=4 456 B14R2.31359 CC(=O)N1CCNc2ccccc21 Amb676553 [0,0,0,1,0,0|2,0,1]=4 457 B14R2.31359 CC(=O)N1CCOc2ccccc21 Amb17593003 [0,0,0,1,0,0|2,0,1]=4 458 B14R2.31359 CC(=O)N1CCSc2ccccc21 Amb27166105 [0,0,0,1,0,0|2,0,1]=4 459 B14R2.31359 CC(=O)c1cccc2ccccc12 Amb2792763 [0,0,0,1,0,0|1,0,1]=3 460 B14R2.31359 CC(=O)c1cccc2cccnc12 Amb8397280 [0,0,0,1,0,0|2,0,1]=4 461 B14R2.31359 CC(=O)c1cccc2ccncc12 Amb19104765 [0,0,0,1,0,0|2,0,1]=4 462 B14R2.31359 CC(=O)c1cccc2cnccc12 Amb18793963 [0,0,0,1,0,0|2,0,1]=4 463 B14R2.31359 CC(=O)c1cccc2ncccc12 Amb22295846 [0,0,0,1,0,0|2,0,1]=4 464 B14R2.31359 CC(=O)c1ccnc2ccccc12 Amb10982506 [0,0,0,1,0,0|2,0,1]=4 465 B14R2.31359 CC(=O)c1cncc2ccccc12 Amb18353441 [0,0,0,1,0,0|2,0,1]=4 466 B14R2.31359 CC(=O)c1nccc2ccccc12 Amb19104782 [0,0,0,1,0,0|2,0,0]=3 467 B14R2.31359 NC(=O)c1cccc2ccccc12 Amb6337525 [0,0,0,1,0,0|2,0,1]=4 468 B14R2.31359 O=C(Cl)c1cccc2ccccc12 Amb2720581 [0,0,0,1,0,0|2,0,1]=4 469 B14R2.31359 O=C(Cl)c1nccc2ccccc12 Amb18279331 [0,0,0,1,0,0|3,0,0]=4 470 B14R2.31359 O=C(F)c1cccc2ccccc12 Amb25123971 [0,0,0,1,0,0|2,0,1]=4 471 B14R2.31359 O=C(O)C1CC=Cc2ccccc21 Amb25139390 [0,0,0,1,0,0|2,0,0]=3 472 B14R2.31359 O=C(O)c1cccc2ccccc12 Amb17748952 [0,0,0,1,0,0|2,0,1]=4 473 B14R2.31359 O=C(O)c1nccc2ccccc12 Amb2689043 [0,0,0,1,0,0|3,0,0]=4 474 B12R1.252 C=C(C)CNCc1ccccc1 Amb10608684 [0,0,0,0,1,0|2,0,1]=4 475 B12R1.252 C=C(C)CNCc1ccccc1 Amb17622487 [0,0,0,0,1,0|2,0,1]=4 476 B12R1.252 C=C(C)COCc1ccccc1 Amb28062621 [0,0,0,0,1,0|2,0,1]=4 477 B12R1.252 CC(=O)C#CCc1ccccc1 Amb27177980 [0,0,0,0,1,0|0,0,3]=4 478 B12R1.252 CC(=O)CC#Cc1ccccc1 Amb28122481 [0,0,0,0,1,0|0,0,2]=3 479 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [0,0,0,0,1,0|0,0,2]=3 480 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,1,0|1,0,2]=4 481 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,1,0|1,0,2]=4 482 B12R1.252 CC(=O)CCNc1ccccc1 Amb26422328 [0,0,0,0,1,0|1,0,1]=3 483 B12R1.252 CC(=O)CCOc1ccccc1 Amb7777351 [0,0,0,0,1,0|1,0,1]=3 484 B12R1.252 CC(=O)CCSc1ccccc1 Amb4020770 [0,0,0,0,1,0|1,0,1]=3 485 B12R1.252 CC(=O)COCc1ccccc1 Amb3433615 [0,0,0,0,1,0|1,0,1]=3 486 B12R1.252 CC(=O)CONc1ccccc1 Amb28243855 [0,0,0,0,1,0|2,0,0]=3 487 B12R1.252 CC(=O)CSCc1ccccc1 Amb4018341 [0,0,0,0,1,0|1,0,1]=3 488 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [0,0,0,0,1,0|0,0,0]=1 489 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [0,0,0,0,1,0|1,0,0]=2 490 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [0,0,0,0,1,0|1,0,1]=3 491 B12R1.252 CC(=O)NCSc1ccccc1 Amb27797274 [0,0,0,0,1,0|2,0,0]=3 492 B12R1.252 CC(=O)N\N=C\c1ccccc1 Amb2732164 [0,0,0,0,1,0|2,0,0]=3 493 B12R1.252 CC(=O)N\N=C\c1ccccn1 Amb6878917 [0,0,0,0,1,0|3,0,0]=4 494 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [0,0,0,0,1,0|0,0,1]=2 495 B12R1.252 CC(=O)OCCc1ccccn1 Amb8391177 [0,0,0,0,1,0|1,0,1]=3 496 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,1,0|0,0,0]=1 497 B12R1.252 CC(=O)O\N=C\c1cnccn1 Amb27225070 [0,0,0,0,1,0|3,0,0]=4 498 B12R1.252 CC(=O)\C=C/Nc1ccccc1 Amb28461253 [0,0,0,0,1,0|1,0,1]=3 499 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb32954414 [0,0,0,0,1,0|0,0,2]=3 500 B12R1.252 CC(=O)\C=C\N=C1C=CNC=C1 Amb25351670 [0,0,0,0,1,0|2,0,1]=4 501 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [0,0,0,0,1,0|1,0,1]=3 502 B12R1.252 CC(=O)\C=C\Nc1ccccn1 Amb22490408 [0,0,0,0,1,0|2,0,1]=4 503 B12R1.252 CC(=O)\C=C\Oc1ccccc1 Amb26528572 [0,0,0,0,1,0|1,0,1]=3 504 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb35789855 [0,0,0,0,1,0|1,0,1]=3 505 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [0,0,0,0,1,0|2,0,1]=4 506 B12R1.252 CC(=O)\[C+]=N\[N-]c1ccccc1 Amb27614630 [0,0,0,0,1,0|2,0,1]=4 507 B12R1.252 CC(=S)NCCc1ccccc1 Amb27412033 [0,0,0,0,1,0|1,1,1]=4 508 B12R1.252 CC(Br)C\C=C\c1ccccc1 Amb33080969 [0,0,0,0,1,0|1,0,1]=3 509 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [0,0,0,0,1,0|2,0,1]=4 510 B12R1.252 CC(C)=CCNc1ccccc1 Amb27638094 [0,0,0,0,1,0|3,0,0]=4 511 B12R1.252 CC(C)=CCSc1ccccc1 Amb8394723 [0,0,0,0,1,0|3,0,0]=4 512 B12R1.252 CC(C)=C\C=C/c1ccccn1 Amb22546609 [0,0,0,0,1,0|2,0,1]=4 513 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb28143072 [0,0,0,0,1,0|1,0,1]=3 514 B12R1.252 CC(C)C\C=C\c1ccccn1 Amb27661989 [0,0,0,0,1,0|2,0,1]=4 515 B12R1.252 CC(N)C\C=C\c1ccccc1 Amb25970039 [0,0,0,0,1,0|1,0,1]=3 516 B12R1.252 CC(N)C\C=C\c1ccncc1 Amb24540248 [0,0,0,0,1,0|2,0,1]=4 517 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb32954303 [0,0,0,0,1,0|0,0,2]=3 518 B12R1.252 CC(O)C\C=N\c1ccccc1 Amb27948769 [0,0,0,0,1,0|1,0,2]=4 519 B12R1.252 CN(O)C\C=C\c1ccccc1 Amb33081135 [0,0,0,0,1,0|1,0,1]=3 520 B12R1.252 CS(=O)\N=C\Cc1ccccc1 Amb35681654 [0,0,0,0,1,0|2,0,1]=4 521 B12R1.252 C[C@@H](N)C\C=C\c1ccccc1 Amb33080763 [0,0,0,0,1,0|1,0,1]=3 522 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb32954522 [0,0,0,0,1,0|0,0,2]=3 523 B12R1.252 C[C@H](N)C\C=C\c1ccccc1 Amb33080767 [0,0,0,0,1,0|1,0,1]=3 524 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb32954836 [0,0,0,0,1,0|0,0,2]=3 525 B12R1.252 C\C(Cl)=C\CNc1ccccc1 Amb4303986 [0,0,0,0,1,0|3,0,0]=4 526 B12R1.252 C\C(N)=N\C=C\c1ccccc1 Amb28457490 [0,0,0,0,1,0|2,0,0]=3 527 B12R1.252 C\C(N)=N\N=C\c1ccccc1 Amb25362013 [0,0,0,0,1,0|3,0,0]=4 528 B12R1.252 N=C(N)C\C=C\c1ccccc1 Amb27652946 [0,0,0,0,1,0|2,0,0]=3 529 B12R1.252 NC(=O)CC#Cc1ccccc1 Amb28256571 [0,0,0,0,1,0|1,0,2]=4 530 B12R1.252 NC(=O)CCCc1ccccc1 Amb3886649 [0,0,0,0,1,0|1,0,2]=4 531 B12R1.252 NC(=O)CCNc1ccccc1 Amb453169 [0,0,0,0,1,0|2,0,1]=4 532 B12R1.252 NC(=O)CCOc1ccccc1 Amb8997689 [0,0,0,0,1,0|2,0,1]=4 533 B12R1.252 NC(=O)CCSc1ccccc1 Amb3836115 [0,0,0,0,1,0|2,0,1]=4 534 B12R1.252 NC(=O)CNCc1ccccc1 Amb2696395 [0,0,0,0,1,0|2,0,1]=4 535 B12R1.252 NC(=O)COCc1ccccc1 Amb8858432 [0,0,0,0,1,0|2,0,1]=4 536 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [0,0,0,0,1,0|2,0,1]=4 537 B12R1.252 NC(=O)NCSc1ccccc1 Amb28200898 [0,0,0,0,1,0|3,0,0]=4 538 B12R1.252 NC(=O)N\N=C/c1ccccc1 Amb2610534 [0,0,0,0,1,0|3,0,0]=4 539 B12R1.252 NC(=O)N\N=C\c1ccccc1 Amb4383215 [0,0,0,0,1,0|3,0,0]=4 540 B12R1.252 NC(=S)C\C=C\c1ccccc1 Amb25112081 [0,0,0,0,1,0|1,1,0]=3 541 B12R1.252 O=C(Cl)CCCc1ccccc1 Amb2792925 [0,0,0,0,1,0|1,0,2]=4 542 B12R1.252 O=C(Cl)CCOc1ccccc1 Amb33528394 [0,0,0,0,1,0|2,0,1]=4 543 B12R1.252 O=C(Cl)CCSc1ccccc1 Amb10064363 [0,0,0,0,1,0|2,0,1]=4 544 B12R1.252 O=C(Cl)COCc1ccccc1 Amb3939158 [0,0,0,0,1,0|2,0,1]=4 545 B12R1.252 O=C(Cl)CSCc1ccccc1 Amb10880013 [0,0,0,0,1,0|2,0,1]=4 546 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [0,0,0,0,1,0|1,0,0]=2 547 B12R1.252 O=C(Cl)OCCc1ccccc1 Amb32661047 [0,0,0,0,1,0|1,0,1]=3 548 B12R1.252 O=C(Cl)OCCc1ccccn1 Amb33297001 [0,0,0,0,1,0|2,0,1]=4 549 B12R1.252 O=C(Cl)OCCc1cccnc1 Amb33297282 [0,0,0,0,1,0|2,0,1]=4 550 B12R1.252 O=C(O)C=C=Cc1ccccc1 Amb25102534 [0,0,0,0,1,0|1,0,2]=4 551 B12R1.252 O=C(O)CC#Cc1ccccc1 Amb18296382 [0,0,0,0,1,0|1,0,2]=4 552 B12R1.252 O=C(O)CCCc1ccccc1 Amb2388283 [0,0,0,0,1,0|1,0,2]=4 553 B12R1.252 O=C(O)CCNc1ccccc1 Amb1207377 [0,0,0,0,1,0|2,0,1]=4 554 B12R1.252 O=C(O)CCOc1ccccc1 Amb1206804 [0,0,0,0,1,0|2,0,1]=4 555 B12R1.252 O=C(O)CCSc1ccccc1 Amb1036581 [0,0,0,0,1,0|2,0,1]=4 556 B12R1.252 O=C(O)CNCc1ccccc1 Amb2720113 [0,0,0,0,1,0|2,0,1]=4 557 B12R1.252 O=C(O)CNCc1ccccc1 Amb6357824 [0,0,0,0,1,0|2,0,1]=4 558 B12R1.252 O=C(O)COCc1ccccc1 Amb3939856 [0,0,0,0,1,0|2,0,1]=4 559 B12R1.252 O=C(O)CSCc1ccccc1 Amb6357378 [0,0,0,0,1,0|2,0,1]=4 560 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb24113880 [0,0,0,0,1,0|2,0,1]=4 561 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb6366026 [0,0,0,0,1,0|2,0,1]=4 562 B12R1.252 O=C(O)C\C=C\c1ccccc1 Amb6280352 [0,0,0,0,1,0|1,0,0]=2 563 B12R1.252 O=C(O)C\C=C\c1ccccn1 Amb25073201 [0,0,0,0,1,0|2,0,0]=3 564 B12R1.252 O=C(O)C\C=C\c1cccnc1 Amb26478515 [0,0,0,0,1,0|2,0,0]=3 565 B12R1.252 O=C(O)C\C=C\c1ccncc1 Amb24571194 [0,0,0,0,1,0|2,0,0]=3 566 B12R1.252 O=C(O)C\N=C/c1cccnc1 Amb27232669 [0,0,0,0,1,0|3,0,0]=4 567 B12R1.252 O=C(O)C\N=C\c1cccnc1 Amb28077098 [0,0,0,0,1,0|3,0,0]=4 568 B12R1.252 O=C(O)C\N=C\c1ccncc1 Amb27455443 [0,0,0,0,1,0|3,0,0]=4 569 B12R1.252 O=C(O)C\N=N\c1ccccc1 Amb27863405 [0,0,0,0,1,0|3,0,0]=4 570 B12R1.252 O=C(O)\C=C/Sc1ccccc1 Amb3940780 [0,0,0,0,1,0|2,0,1]=4 571 B12R1.252 O=C(O)\C=C\Cc1ccccc1 Amb8392409 [0,0,0,0,1,0|1,0,2]=4 572 B12R1.252 O=C(O)\C=C\Sc1ccccc1 Amb1661597 [0,0,0,0,1,0|2,0,1]=4 573 B12R1.252 O=C([O-])CCCc1ccccc1 Amb15690987 [0,0,0,0,1,0|1,0,2]=4 574 B12R1.252 O=C([O-])CC[NH2+]c1ccccc1 Amb22499683 [0,0,0,0,1,0|2,0,1]=4 575 B12R1.252 O=C([O-])\C=C\Sc1ccccc1 Amb534252 [0,0,0,0,1,0|2,0,1]=4 576 B12R1.252 OB(O)C\C=C\c1ccccc1 Amb26916741 [0,0,0,0,1,0|2,0,1]=4 577 B12R1.255 CC(=O)CC\C=C\c1cccs1 Amb18224700 [0,0,0,0,1,0|2,0,0]=3 578 B12R1.255 CC(=O)\C=C\C=C\c1ccco1 Amb27947680 [0,0,0,0,1,0|2,0,1]=4 579 B12R1.255 CC(=O)\C=C\C=C\c1cccs1 Amb25340969 [0,0,0,0,1,0|2,0,1]=4 580 B12R1.255 O=C(O)CC\C=C\c1cccs1 Amb17233930 [0,0,0,0,1,0|3,0,0]=4 581 B14R1.422 CC(=O)CCCCSc1ccccc1 Amb9660314 [0,0,0,0,0,1|1,0,2]=4 582 B14R1.422 CC(=O)CCCNCc1ccccc1 Amb27831408 [0,0,0,0,0,1|1,0,2]=4 583 B14R1.422 CC(=O)CCCSCc1ccccc1 Amb9660328 [0,0,0,0,0,1|1,0,2]=4 584 B14R1.422 CC(=O)NCCNCc1ccccc1 Amb6732654 [0,0,0,0,0,1|1,0,2]=4 585 B14R1.422 CC(=O)NCC\N=C\c1ccccc1 Amb24073400 [0,0,0,0,0,1|1,0,1]=3 586 B14R1.422 CC(=O)NCNOCc1ccccc1 Amb28143645 [0,0,0,0,0,1|2,0,1]=4 587 B14R1.422 CC(=O)N\N=C\C=C\c1ccccc1 Amb27787526 [0,0,0,0,0,1|1,0,1]=3 588 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [0,0,0,0,0,1|0,0,2]=3 589 B14R1.422 CC(=O)OCCNCc1ccccc1 Amb18929298 [0,0,0,0,0,1|0,0,2]=3 590 B14R1.422 CC(=O)SCCNCc1ccccc1 Amb27408459 [0,0,0,0,0,1|0,1,2]=4 591 B14R1.422 CC(C)CNC\C=C\c1ccccc1 Amb1922701 [0,0,0,0,0,1|2,0,1]=4 592 B14R1.422 CC(C)CNC\C=C\c1ccccc1 Amb6864739 [0,0,0,0,0,1|2,0,1]=4 593 B14R1.422 CC(O)C#CC\C=C\c1ccccc1 Amb28399005 [0,0,0,0,0,1|1,0,2]=4 594 B14R1.422 CC(O)CNC\C=C\c1ccccc1 Amb837929 [0,0,0,0,0,1|1,0,2]=4 595 B14R1.422 NC(=O)N\N=C\C=C\c1ccccc1 Amb24271447 [0,0,0,0,0,1|2,0,1]=4 596 B14R1.422 NC(=O)OCCC#Cc1ccccc1 Amb27975850 [0,0,0,0,0,1|1,0,2]=4 597 B14R1.422 NC(=O)OCCNCc1ccccc1 Amb28145444 [0,0,0,0,0,1|1,0,2]=4 598 B14R1.422 O=C(O)CCS\C=C\c1ccccc1 Amb2725415 [0,0,0,0,0,1|2,0,0]=3 599 B14R1.422 O=C(O)CNC\C=C\c1ccccc1 Amb9325874 [0,0,0,0,0,1|2,0,0]=3 600 B14R1.422 O=C(O)COCCOc1ccccc1 Amb6278949 [0,0,0,0,0,1|2,0,1]=4 601 B14R1.422 O=C(O)COC\C=C\c1ccccc1 Amb19041553 [0,0,0,0,0,1|1,0,0]=2 602 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [2,0,0,0,0,0|1,0,1]=4 603 B11R1.28 Br\C=C\C=C\c1ccccc1 Amb27963876 [2,0,0,0,0,0|1,0,1]=4 604 B11R1.28 C#CC\C=C\c1ccccc1 Amb33080774 [2,0,0,0,0,0|0,0,2]=4 605 B11R1.28 C=CC\C=C\c1ccccc1 Amb8393997 [2,0,0,0,0,0|0,0,1]=3 606 B11R1.28 CCC\C=C\c1ccccc1 Amb4017967 [2,0,0,0,0,0|0,0,1]=3 607 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [2,0,0,0,0,0|1,0,1]=4 608 B11R1.28 CCC\N=C\c1ccccc1 Amb4605889 [2,0,0,0,0,0|1,0,1]=4 609 B11R1.28 CCOCCc1ccccc1 Amb4035236 [2,0,0,0,0,0|0,0,2]=4 610 B11R1.28 CCOCOc1ccccc1 Amb28388170 [2,0,0,0,0,0|1,0,1]=4 611 B11R1.28 CCO\C=C\c1ccccc1 Amb4020955 [2,0,0,0,0,0|0,0,1]=3 612 B11R1.28 CCO\C=C\c1ccncc1 Amb27253748 [2,0,0,0,0,0|1,0,1]=4 613 B11R1.28 CCO\C=N\c1ccccc1 Amb9786981 [2,0,0,0,0,0|1,0,1]=4 614 B11R1.28 CNC\C=C/c1cccnc1 Amb28423371 [2,0,0,0,0,0|2,0,0]=4 615 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [2,0,0,0,0,0|1,0,0]=3 616 B11R1.28 CNC\C=C\c1ccccn1 Amb26859034 [2,0,0,0,0,0|2,0,0]=4 617 B11R1.28 CNC\C=C\c1cccnc1 Amb23442752 [2,0,0,0,0,0|2,0,0]=4 618 B11R1.28 CNC\C=C\c1ccncc1 Amb26859033 [2,0,0,0,0,0|2,0,0]=4 619 B11R1.28 COCC#Cc1ccccc1 Amb25308232 [2,0,0,0,0,0|0,0,2]=4 620 B11R1.28 COCCNc1ccccc1 Amb596066 [2,0,0,0,0,0|1,0,1]=4 621 B11R1.28 COCCOc1ccccc1 Amb4018811 [2,0,0,0,0,0|1,0,1]=4 622 B11R1.28 COCNCc1ccccc1 Amb25053350 [2,0,0,0,0,0|1,0,1]=4 623 B11R1.28 CO\C=C/Oc1ccccc1 Amb24069136 [2,0,0,0,0,0|1,0,1]=4 624 B11R1.28 CSC\C=C\c1ccccc1 Amb27261145 [2,0,0,0,0,0|0,1,0]=3 625 B11R1.28 C\C=C\C=C\c1ccccc1 Amb27870048 [2,0,0,0,0,0|0,0,1]=3 626 B11R1.28 C\C=C\CCc1ccccc1 Amb17940149 [2,0,0,0,0,0|1,0,1]=4 627 B11R1.28 C\C=C\CNc1ccccc1 Amb4016349 [2,0,0,0,0,0|2,0,0]=4 628 B11R1.28 C\C=C\COc1ccccc1 Amb4036065 [2,0,0,0,0,0|2,0,0]=4 629 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [2,0,0,0,0,0|1,0,1]=4 630 B11R1.28 Cl\C=C\C=C\c1ccccc1 Amb8392466 [2,0,0,0,0,0|1,0,1]=4 631 B11R1.28 ICC\C=C\c1ccccc1 Amb27261633 [2,0,0,0,0,0|1,0,1]=4 632 B11R1.28 N#CC\C=C\c1ccccc1 Amb6268598 [2,0,0,0,0,0|1,0,1]=4 633 B11R1.28 NCC\C=C/c1ccccc1 Amb27254115 [2,0,0,0,0,0|1,0,1]=4 634 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [2,0,0,0,0,0|1,0,1]=4 635 B11R1.28 NNC\C=C\c1ccccc1 Amb33456723 [2,0,0,0,0,0|2,0,0]=4 636 B11R1.28 NOC\C=C\c1ccccc1 Amb33136389 [2,0,0,0,0,0|1,0,0]=3 637 B11R1.28 N\C=C\C=C\c1ccccc1 Amb27393486 [2,0,0,0,0,0|1,0,1]=4 638 B11R1.28 O=CCC#Cc1ccccc1 Amb27390152 [2,0,0,0,0,0|0,0,2]=4 639 B11R1.28 O=CCCCc1ccccc1 Amb6306225 [2,0,0,0,0,0|0,0,2]=4 640 B11R1.28 O=CCCOc1ccccc1 Amb5731758 [2,0,0,0,0,0|1,0,1]=4 641 B11R1.28 O=CCCSc1ccccc1 Amb17082943 [2,0,0,0,0,0|1,0,1]=4 642 B11R1.28 O=CCNCc1ccccc1 Amb19886524 [2,0,0,0,0,0|1,0,1]=4 643 B11R1.28 O=CCOCc1ccccc1 Amb3939958 [2,0,0,0,0,0|1,0,1]=4 644 B11R1.28 O=CCSCc1ccccc1 Amb18801121 [2,0,0,0,0,0|1,0,1]=4 645 B11R1.28 O=CN\N=C/c1ccccc1 Amb2612268 [2,0,0,0,0,0|2,0,0]=4 646 B11R1.28 O=COCCc1ccccc1 Amb6357955 [2,0,0,0,0,0|0,0,1]=3 647 B11R1.28 O=C\C=C/Cc1ccccc1 Amb27861231 [2,0,0,0,0,0|0,0,2]=4 648 B11R1.28 O=C\C=C\Cc1ccccc1 Amb32954519 [2,0,0,0,0,0|0,0,2]=4 649 B11R1.28 O=C\C=C\Nc1ccccc1 Amb18124821 [2,0,0,0,0,0|1,0,1]=4 650 B11R1.28 O=C\C=C\Oc1ccccc1 Amb24585165 [2,0,0,0,0,0|1,0,1]=4 651 B11R1.28 OCC\C=C\c1ccccc1 Amb33213896 [2,0,0,0,0,0|0,0,2]=4 652 B11R1.28 ONC\C=C\c1ccccc1 Amb33081057 [2,0,0,0,0,0|1,0,1]=4 653 B11R1.28 O\C=C\C=C\c1ccccc1 Amb27970649 [2,0,0,0,0,0|0,0,2]=4 654 B11R1.28 SCC\C=C\c1ccccc1 Amb33081762 [2,0,0,0,0,0|0,1,1]=4 655 B11R1.28 [C-]#[N+]C\C=C\c1ccccc1 Amb33081342 [2,0,0,0,0,0|1,0,1]=4 656 B13R1.6 Cc1cccc(\C=C\C=C\C=O)c1 Amb27771444 [1,1,0,0,0,0|1,0,1]=4 657 B13R1.6 O=C\C=C\C=C\c1cccc(F)c1 Amb27201382 [1,1,0,0,0,0|1,0,1]=4 658 B13R1.9 CNCC\C=C\c1ccc(F)cc1 Amb33171438 [1,1,0,0,0,0|2,0,0]=4 659 B13R1.9 Cc1ccc(\C=C\C=C\C=O)cc1 Amb18126920 [1,1,0,0,0,0|1,0,1]=4 660 B13R1.9 O=C=NC\C=C\c1ccc(F)cc1 Amb33418843 [1,1,0,0,0,0|1,0,1]=4 661 B13R1.9 O=CCC\C=C\c1ccc(F)cc1 Amb33358568 [1,1,0,0,0,0|1,0,0]=3 662 B13R1.9 O=C\C=C\C=C\c1ccc(Cl)cc1 Amb28134088 [1,1,0,0,0,0|1,0,1]=4 663 B13R1.9 O=C\C=C\C=C\c1ccc(F)cc1 Amb27843418 [1,1,0,0,0,0|1,0,1]=4 664 B13R1.9 O=C\C=C\C=C\c1ccc(O)cc1 Amb27431707 [1,1,0,0,0,0|1,0,1]=4 665 B13R1.24 CCOCNC(=O)c1ccccc1 Amb24072678 [1,1,0,0,0,0|1,0,1]=4 666 B13R1.24 CCO\C=C\C(=O)c1ccccc1 Amb33291556 [1,1,0,0,0,0|0,0,2]=4 667 B13R1.24 C\C(=C\C=C\C=O)c1ccccc1 Amb27777226 [1,1,0,0,0,0|1,0,1]=4 668 B13R1.24 O=CCCNC(=O)c1ccccc1 Amb17102177 [1,1,0,0,0,0|2,0,0]=4 669 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [1,1,0,0,0,0|0,0,1]=3 670 B13R1.28 C=CCNC\C=C\c1ccccc1 Amb10242931 [1,1,0,0,0,0|1,0,1]=4 671 B13R1.28 C=CCNC\C=C\c1ccccc1 Amb19890285 [1,1,0,0,0,0|1,0,1]=4 672 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [1,1,0,0,0,0|1,0,1]=4 673 B13R1.28 CCCNC\C=C\c1ccccc1 Amb838094 [1,1,0,0,0,0|1,0,1]=4 674 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [1,1,0,0,0,0|1,0,1]=4 675 B13R1.28 NCCSC\C=C\c1ccccc1 Amb9727179 [1,1,0,0,0,0|0,1,1]=4 676 B13R1.28 O=C=NCC\C=C\c1ccccc1 Amb33081320 [1,1,0,0,0,0|1,0,1]=4 677 B13R1.28 O=CCOCC#Cc1ccccc1 Amb27592899 [1,1,0,0,0,0|0,0,2]=4 678 B13R1.28 O=CCOCCCc1ccccc1 Amb18790942 [1,1,0,0,0,0|0,0,2]=4 679 B13R1.28 O=C\C=C\C=C\Nc1ccccc1 Amb27667120 [1,1,0,0,0,0|1,0,1]=4 680 B13R1.28 OCC=C=C\C=C\c1ccccc1 Amb27651709 [1,1,0,0,0,0|1,0,1]=4 681 B13R1.28 OCCNC\C=C\c1ccccc1 Amb1926880 [1,1,0,0,0,0|1,0,1]=4 682 B13R1.28 OCCNC\C=C\c1ccccc1 Amb6864512 [1,1,0,0,0,0|1,0,1]=4 683 B13R1.42 CC(\C=C\c1ccccc1)N=C=O Amb33081322 [1,1,0,0,0,0|1,0,1]=4 684 B13R1.42 CCOC(=O)\C=C\c1ccccc1 Amb6296621 [1,1,0,0,0,0|0,0,2]=4 685 B13R1.42 CNCC(O)\C=C\c1ccccc1 Amb33081784 [1,1,0,0,0,0|2,0,0]=4 686 B13R1.42 C\C=C\C(=O)\C=C\c1ccccc1 Amb28074660 [1,1,0,0,0,0|1,0,1]=4 687 B13R1.42 C\C=C\C(O)\C=C\c1ccccc1 Amb28079231 [1,1,0,0,0,0|1,0,0]=3 688 B13R1.42 O=C\C=C(Cl)\C=C\c1ccccc1 Amb27643648 [1,1,0,0,0,0|1,0,1]=4 689 B13R1.44 CC(\C=C\C=O)=C/c1ccccc1 Amb27793091 [1,1,0,0,0,0|1,0,1]=4 690 B13R1.44 CCOCC(=O)Nc1ccccc1 Amb2662084 [1,1,0,0,0,0|1,0,1]=4 691 B13R1.44 CNCC\C(C)=C\c1ccccc1 Amb33476406 [1,1,0,0,0,0|2,0,0]=4 692 B13R1.44 C\C(=C/c1ccccc1)CCC=O Amb32954206 [1,1,0,0,0,0|1,0,0]=3 693 B13R1.44 C\C(=C/c1ccccc1)CN=C=O Amb33476145 [1,1,0,0,0,0|1,0,1]=4 694 B13R1.44 C\C=C\CC(=O)Nc1ccccc1 Amb27949573 [1,1,0,0,0,0|2,0,0]=4 695 B13R1.555 C\C=C\C\C=C/c1ccccc1N Amb27882821 [1,1,0,0,0,0|1,0,0]=3 696 B13R1.555 C\C=C\C\C=C\c1ccccc1N Amb27783393 [1,1,0,0,0,0|1,0,0]=3 697 B13R1.718 CNC(=O)C\C=C\c1ccccc1 Amb25857434 [1,1,0,0,0,0|2,0,0]=4 698 B13R1.718 C\C(C=O)=C/C=C/c1ccccc1 Amb18126919 [1,1,0,0,0,0|1,0,1]=4 699 B13R1.718 O=C\C(F)=C/C=C/c1ccccc1 Amb27629668 [1,1,0,0,0,0|1,0,1]=4 700 B13R1.718 O=C\C(F)=C\C=C\c1ccccc1 Amb27974016 [1,1,0,0,0,0|1,0,1]=4 701 B13R1.718 O=C\C(O)=C\C=C\c1ccccc1 Amb18127198 [1,1,0,0,0,0|1,0,1]=4 702 B13R1.45 C=C(C)CNC(=N)c1ccccc1 Amb27166001 [0,1,0,0,1,0|2,0,0]=4 703 B13R1.45 C=C(C)CNC(=S)c1ccccc1 Amb27831279 [0,1,0,0,1,0|2,0,0]=4 704 B13R1.45 C=C(CNC(N)=O)c1ccccc1 Amb28061809 [0,1,0,0,1,0|2,0,0]=4 705 B13R1.45 C=C(COC(C)=O)c1ccccc1 Amb17778927 [0,1,0,0,1,0|0,0,0]=2 706 B13R1.45 CC(=O)CCC(=O)c1ccccc1 Amb6357807 [0,1,0,0,1,0|0,0,1]=3 707 B13R1.45 CC(=O)CCC(=O)c1ccccn1 Amb6301488 [0,1,0,0,1,0|1,0,1]=4 708 B13R1.45 CC(=O)CCC(=O)c1cccnc1 Amb9472228 [0,1,0,0,1,0|1,0,1]=4 709 B13R1.45 CC(=O)CCC(=O)c1ccncc1 Amb9472251 [0,1,0,0,1,0|1,0,1]=4 710 B13R1.45 CC(=O)CCC(C)c1ccccc1 Amb33082106 [0,1,0,0,1,0|0,0,2]=4 711 B13R1.45 CC(=O)CCC(Cl)c1ccccc1 Amb17402167 [0,1,0,0,1,0|0,0,2]=4 712 B13R1.45 CC(=O)CCN(C)c1ccccc1 Amb8388281 [0,1,0,0,1,0|1,0,1]=4 713 B13R1.45 CC(=O)CNC(=O)c1ccccc1 Amb9836069 [0,1,0,0,1,0|1,0,0]=3 714 B13R1.45 CC(=O)COC(=O)c1ccccc1 Amb22497327 [0,1,0,0,1,0|1,0,0]=3 715 B13R1.45 CC(=O)C\C=C(/C)c1ccccc1 Amb27169026 [0,1,0,0,1,0|0,0,0]=2 716 B13R1.45 CC(=O)NCC(=O)c1ccccc1 Amb17335159 [0,1,0,0,1,0|1,0,0]=3 717 B13R1.45 CC(=O)NCC(Br)c1ccccc1 Amb27809645 [0,1,0,0,1,0|1,0,1]=4 718 B13R1.45 CC(=O)NCC(C)c1ccccc1 Amb8384388 [0,1,0,0,1,0|1,0,1]=4 719 B13R1.45 CC(=O)NCC(O)c1ccccc1 Amb9244841 [0,1,0,0,1,0|1,0,1]=4 720 B13R1.45 CC(=O)NCN(C)c1ccccc1 Amb27946390 [0,1,0,0,1,0|2,0,0]=4 721 B13R1.45 CC(=O)NC[C@H](O)c1ccccc1 Amb27427139 [0,1,0,0,1,0|1,0,1]=4 722 B13R1.45 CC(=O)NC[PH](=O)c1ccccc1 Amb27174263 [0,1,0,0,1,0|2,0,0]=4 723 B13R1.45 CC(=O)N\N=C(/C)c1ccccc1 Amb1834900 [0,1,0,0,1,0|2,0,0]=4 724 B13R1.45 CC(=O)N\N=C(\C)c1ccccc1 Amb8506418 [0,1,0,0,1,0|2,0,0]=4 725 B13R1.45 CC(=O)OCC(=O)c1ccccc1 Amb4017907 [0,1,0,0,1,0|0,0,0]=2 726 B13R1.45 CC(=O)OCC(C)c1ccccc1 Amb4020115 [0,1,0,0,1,0|0,0,1]=3 727 B13R1.45 CC(=O)ONC(=O)c1ccccn1 Amb24745497 [0,1,0,0,1,0|2,0,0]=4 728 B13R1.45 CC(=O)ONC(=O)c1cccnc1 Amb25924033 [0,1,0,0,1,0|2,0,0]=4 729 B13R1.45 CC(=O)ONC(=O)c1ccncc1 Amb25160710 [0,1,0,0,1,0|2,0,0]=4 730 B13R1.45 CC(=O)O\C=C(/C)c1ccccc1 Amb17778975 [0,1,0,0,1,0|0,0,0]=2 731 B13R1.45 CC(=O)O\C=C(\C)c1ccccc1 Amb25290986 [0,1,0,0,1,0|0,0,0]=2 732 B13R1.45 CC(=O)O\N=C(/N)c1ccncc1 Amb16757873 [0,1,0,0,1,0|2,0,0]=4 733 B13R1.45 CC(=O)O\N=C(\N)c1ccccn1 Amb28186455 [0,1,0,0,1,0|2,0,0]=4 734 B13R1.45 CC(=O)\C=C/C(O)c1ccccc1 Amb27749808 [0,1,0,0,1,0|0,0,2]=4 735 B13R1.45 CC(=O)\C=C\C(C)c1ccccc1 Amb24090253 [0,1,0,0,1,0|0,0,2]=4 736 B13R1.45 CC(=O)\C=C\N(C)c1ccccc1 Amb26377318 [0,1,0,0,1,0|1,0,1]=4 737 B13R1.45 CC(=S)SCC(=O)c1ccccc1 Amb24309338 [0,1,0,0,1,0|0,2,0]=4 738 B13R1.45 CC(C)=C=CC(=O)c1ccccc1 Amb28197507 [0,1,0,0,1,0|1,0,1]=4 739 B13R1.45 CC(COC(=O)Cl)c1ccccc1 Amb33297204 [0,1,0,0,1,0|1,0,1]=4 740 B13R1.45 CN(C)C\C=C(/N)c1ccccc1 Amb27180265 [0,1,0,0,1,0|2,0,0]=4 741 B13R1.45 CN(C)C\C=C(\N)c1ccccc1 Amb28051772 [0,1,0,0,1,0|2,0,0]=4 742 B13R1.45 C\C(=C/CC(=O)O)c1ccccc1 Amb25189805 [0,1,0,0,1,0|1,0,0]=3 743 B13R1.45 C\C(=C/CC(=O)O)c1ccccn1 Amb31174816 [0,1,0,0,1,0|2,0,0]=4 744 B13R1.45 C\C(=C/CC(=O)O)c1cccnc1 Amb24373182 [0,1,0,0,1,0|2,0,0]=4 745 B13R1.45 C\C(=C/CC(=O)O)c1ccncc1 Amb31174817 [0,1,0,0,1,0|2,0,0]=4 746 B13R1.45 C\C(=C\CC(=O)O)c1ccccn1 Amb28042540 [0,1,0,0,1,0|2,0,0]=4 747 B13R1.45 C\C(=C\CC(=O)O)c1cccnc1 Amb27185917 [0,1,0,0,1,0|2,0,0]=4 748 B13R1.45 C\C(=C\CC(=O)O)c1ccncc1 Amb28316672 [0,1,0,0,1,0|2,0,0]=4 749 B13R1.45 C\C(=N/OC(N)=O)c1ccccc1 Amb28252217 [0,1,0,0,1,0|2,0,0]=4 750 B13R1.45 N=C(NCC(=O)O)c1ccccc1 Amb3427923 [0,1,0,0,1,0|2,0,0]=4 751 B13R1.45 N=C(NOC(N)=O)c1ccccc1 Amb28129268 [0,1,0,0,1,0|2,0,0]=4 752 B13R1.45 NC(=O)CCC(=O)c1ccccc1 Amb17233256 [0,1,0,0,1,0|1,0,1]=4 753 B13R1.45 NC(=O)CNC(=O)c1ccccc1 Amb2761003 [0,1,0,0,1,0|2,0,0]=4 754 B13R1.45 NC(=O)OCC(O)c1ccccc1 Amb17594650 [0,1,0,0,1,0|1,0,1]=4 755 B13R1.45 O=C(Cl)COC(=O)c1ccccc1 Amb32643994 [0,1,0,0,1,0|2,0,0]=4 756 B13R1.45 O=C(Cl)OCC(=O)c1ccccc1 Amb33297274 [0,1,0,0,1,0|1,0,0]=3 757 B13R1.45 O=C(F)CNC(=O)c1ccccc1 Amb27815208 [0,1,0,0,1,0|2,0,0]=4 758 B13R1.45 O=C(O)CCC(=O)c1ccccc1 Amb1224638 [0,1,0,0,1,0|1,0,1]=4 759 B13R1.45 O=C(O)CNC(=O)c1ccccc1 Amb1006961 [0,1,0,0,1,0|2,0,0]=4 760 B13R1.45 O=C(O)CNC(=S)c1ccccc1 Amb24309476 [0,1,0,0,1,0|2,0,0]=4 761 B13R1.45 O=C(O)COC(=O)c1ccccc1 Amb17594607 [0,1,0,0,1,0|2,0,0]=4 762 B13R1.45 O=C(O)CSC(=S)c1ccccc1 Amb2762718 [0,1,0,0,1,0|2,0,0]=4 763 B13R1.45 O=C(O)\C=C/C(=O)c1ccccc1 Amb1016615 [0,1,0,0,1,0|1,0,1]=4 764 B13R1.45 O=C(O)\C=C\C(=O)c1ccccc1 Amb8516499 [0,1,0,0,1,0|1,0,1]=4 765 B13R1.149 CC(=O)CCCc1cccc(Br)c1 Amb17255477 [0,1,0,0,1,0|0,0,2]=4 766 B13R1.149 CC(=O)CCCc1cccc(C)c1 Amb17233199 [0,1,0,0,1,0|0,0,2]=4 767 B13R1.149 CC(=O)CCCc1cccc(Cl)c1 Amb17236502 [0,1,0,0,1,0|0,0,2]=4 768 B13R1.149 CC(=O)CCNc1cccc(C)c1 Amb27259362 [0,1,0,0,1,0|1,0,1]=4 769 B13R1.149 CC(=O)CCOc1cccc(C)c1 Amb7777348 [0,1,0,0,1,0|1,0,1]=4 770 B13R1.149 CC(=O)CCOc1cccc(Cl)c1 Amb17139724 [0,1,0,0,1,0|1,0,1]=4 771 B13R1.149 CC(=O)CCOc1cccc(F)c1 Amb7777353 [0,1,0,0,1,0|1,0,1]=4 772 B13R1.149 CC(=O)CCOc1cccc(N)c1 Amb4422083 [0,1,0,0,1,0|1,0,1]=4 773 B13R1.149 CC(=O)CCSc1cccc(Br)c1 Amb32682896 [0,1,0,0,1,0|1,0,1]=4 774 B13R1.149 CC(=O)CCSc1cccc(C)c1 Amb19042835 [0,1,0,0,1,0|1,0,1]=4 775 B13R1.149 CC(=O)CCSc1cccc(Cl)c1 Amb32682921 [0,1,0,0,1,0|1,0,1]=4 776 B13R1.149 CC(=O)CCSc1cccc(F)c1 Amb32682926 [0,1,0,0,1,0|1,0,1]=4 777 B13R1.149 CC(=O)CSCc1cccc(C)c1 Amb19063166 [0,1,0,0,1,0|1,0,1]=4 778 B13R1.149 CC(=O)C\C=C\c1cccc(Br)c1 Amb26905228 [0,1,0,0,1,0|0,0,0]=2 779 B13R1.149 CC(=O)NCCc1cccc(Br)c1 Amb27985315 [0,1,0,0,1,0|1,0,1]=4 780 B13R1.149 CC(=O)NCCc1cccc(N)c1 Amb28291587 [0,1,0,0,1,0|1,0,1]=4 781 B13R1.149 CC(=O)NCCc1cccc(O)c1 Amb26946233 [0,1,0,0,1,0|1,0,1]=4 782 B13R1.149 CC(=O)N\N=C\c1cccc(C)c1 Amb3354716 [0,1,0,0,1,0|2,0,0]=4 783 B13R1.149 CC(=O)N\N=C\c1cccc(Cl)c1 Amb6556710 [0,1,0,0,1,0|2,0,0]=4 784 B13R1.149 CC(=O)N\N=C\c1cccc(F)c1 Amb3364992 [0,1,0,0,1,0|2,0,0]=4 785 B13R1.149 CC(=O)OCCc1cccc(N)c1 Amb28556007 [0,1,0,0,1,0|0,0,1]=3 786 B13R1.149 CC(=O)\C=C\Nc1cccc(Cl)c1 Amb28208499 [0,1,0,0,1,0|1,0,1]=4 787 B13R1.149 CC(C)=C\C=C/c1cccc(Cl)c1 Amb22546762 [0,1,0,0,1,0|1,0,1]=4 788 B13R1.149 Cc1cccc(\C=C\CC(=O)O)c1 Amb28119838 [0,1,0,0,1,0|1,0,0]=3 789 B13R1.149 O=C(Cl)OCCc1cccc(Br)c1 Amb33297105 [0,1,0,0,1,0|1,0,1]=4 790 B13R1.149 O=C(O)C\C=C\c1cccc(Br)c1 Amb23441782 [0,1,0,0,1,0|1,0,0]=3 791 B13R1.149 O=C(O)C\C=C\c1cccc(F)c1 Amb23441778 [0,1,0,0,1,0|1,0,0]=3 792 B13R1.149 O=C(O)C\N=C\c1cccc(O)c1 Amb27877242 [0,1,0,0,1,0|2,0,0]=4 793 B13R1.158 CC(=O)CCCc1ccccc1C Amb17233198 [0,1,0,0,1,0|0,0,2]=4 794 B13R1.158 CC(=O)CCCc1ccccc1Cl Amb17236501 [0,1,0,0,1,0|0,0,2]=4 795 B13R1.158 CC(=O)CCCc1ccccc1F Amb17233676 [0,1,0,0,1,0|0,0,2]=4 796 B13R1.158 CC(=O)CCNc1ccccc1O Amb28388299 [0,1,0,0,1,0|1,0,1]=4 797 B13R1.158 CC(=O)CCOc1ccccc1C Amb7777349 [0,1,0,0,1,0|1,0,1]=4 798 B13R1.158 CC(=O)CCOc1ccccc1Cl Amb17139723 [0,1,0,0,1,0|1,0,1]=4 799 B13R1.158 CC(=O)CCOc1ccccc1F Amb7777344 [0,1,0,0,1,0|1,0,1]=4 800 B13R1.158 CC(=O)CCSc1ccccc1Br Amb9229575 [0,1,0,0,1,0|1,0,1]=4 801 B13R1.158 CC(=O)CCSc1ccccc1C Amb19051952 [0,1,0,0,1,0|1,0,1]=4 802 B13R1.158 CC(=O)CCSc1ccccc1Cl Amb9224162 [0,1,0,0,1,0|1,0,1]=4 803 B13R1.158 CC(=O)CCSc1ccccc1F Amb9224177 [0,1,0,0,1,0|1,0,1]=4 804 B13R1.158 CC(=O)CSCc1ccccc1C Amb18330489 [0,1,0,0,1,0|1,0,1]=4 805 B13R1.158 CC(=O)CSCc1ccccc1Cl Amb32683019 [0,1,0,0,1,0|1,0,1]=4 806 B13R1.158 CC(=O)C\C=C\c1ccccc1F Amb25693688 [0,1,0,0,1,0|0,0,0]=2 807 B13R1.158 CC(=O)C\C=C\c1ccccc1O Amb25058690 [0,1,0,0,1,0|0,0,0]=2 808 B13R1.158 CC(=O)NCCc1ccccc1Br Amb13133608 [0,1,0,0,1,0|1,0,1]=4 809 B13R1.158 CC(=O)NCCc1ccccc1Cl Amb25324158 [0,1,0,0,1,0|1,0,1]=4 810 B13R1.158 CC(=O)NCCc1ccccc1N Amb27180309 [0,1,0,0,1,0|1,0,1]=4 811 B13R1.158 CC(=O)NCCc1ccccc1O Amb16982301 [0,1,0,0,1,0|1,0,1]=4 812 B13R1.158 CC(=O)N\C=C/c1ccccc1O Amb28430343 [0,1,0,0,1,0|1,0,0]=3 813 B13R1.158 CC(=O)N\C=C\c1ccccc1Cl Amb25328901 [0,1,0,0,1,0|1,0,0]=3 814 B13R1.158 CC(=O)N\C=C\c1ccccc1F Amb26033608 [0,1,0,0,1,0|1,0,0]=3 815 B13R1.158 CC(=O)N\N=C\c1ccccc1Br Amb4355273 [0,1,0,0,1,0|2,0,0]=4 816 B13R1.158 CC(=O)N\N=C\c1ccccc1C Amb17798513 [0,1,0,0,1,0|2,0,0]=4 817 B13R1.158 CC(=O)N\N=C\c1ccccc1F Amb1014386 [0,1,0,0,1,0|2,0,0]=4 818 B13R1.158 CC(=O)N\N=C\c1ccccc1O Amb3360655 [0,1,0,0,1,0|2,0,0]=4 819 B13R1.158 CC(=O)\C=C/Nc1ccccc1N Amb27402608 [0,1,0,0,1,0|1,0,1]=4 820 B13R1.158 CC(=O)\C=C\Cc1ccccc1N Amb27832813 [0,1,0,0,1,0|0,0,2]=4 821 B13R1.158 CC(=O)\C=C\Nc1ccccc1N Amb27185977 [0,1,0,0,1,0|1,0,1]=4 822 B13R1.158 CC(=O)\C=C\Nc1ccccc1O Amb27471697 [0,1,0,0,1,0|1,0,1]=4 823 B13R1.158 CC(C)=C\C=C/c1ccccc1Br Amb22546598 [0,1,0,0,1,0|1,0,1]=4 824 B13R1.158 CC(C)=C\C=C/c1ccccc1C Amb22546595 [0,1,0,0,1,0|1,0,1]=4 825 B13R1.158 CC(C)=C\C=C/c1ccccc1Cl Amb22546615 [0,1,0,0,1,0|1,0,1]=4 826 B13R1.158 CC(C)=C\C=C/c1ccccc1F Amb22546763 [0,1,0,0,1,0|1,0,1]=4 827 B13R1.158 CC(C)C\C=C/c1ccccc1Br Amb22546777 [0,1,0,0,1,0|1,0,1]=4 828 B13R1.158 CC(C)C\C=C/c1ccccc1F Amb22546764 [0,1,0,0,1,0|1,0,1]=4 829 B13R1.158 CC(N)C\C=C\c1ccccc1O Amb24493921 [0,1,0,0,1,0|1,0,1]=4 830 B13R1.158 Cc1ccccc1\C=C\CC(=O)O Amb25362135 [0,1,0,0,1,0|1,0,0]=3 831 B13R1.158 NC(=O)O\N=C\c1ccccc1O Amb25724987 [0,1,0,0,1,0|2,0,0]=4 832 B13R1.158 O=C(Cl)OCCc1ccccc1Br Amb33297174 [0,1,0,0,1,0|1,0,1]=4 833 B13R1.158 O=C(O)C\C=C\c1ccccc1F Amb20622523 [0,1,0,0,1,0|1,0,0]=3 834 B13R1.158 O=C(O)C\N=C\c1ccccc1O Amb26481398 [0,1,0,0,1,0|2,0,0]=4 835 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 Amb15692856 [0,1,0,0,1,0|0,0,1]=3 836 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 Amb1210069 [0,1,0,0,1,0|1,0,0]=3 837 B13R1.348 CC(=O)CC(=O)Nc1ccccn1 Amb1200449 [0,1,0,0,1,0|2,0,0]=4 838 B13R1.348 CC(=O)CC(=O)Nc1cccnc1 Amb3685830 [0,1,0,0,1,0|2,0,0]=4 839 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 Amb22586480 [0,1,0,0,1,0|1,0,0]=3 840 B13R1.348 CC(=O)CC(=S)Nc1ccccc1 Amb25190045 [0,1,0,0,1,0|1,0,0]=3 841 B13R1.348 CC(=O)CC(C)Sc1ccccc1 Amb32683051 [0,1,0,0,1,0|1,0,1]=4 842 B13R1.348 CC(=O)CN(C)Cc1ccccc1 Amb18808988 [0,1,0,0,1,0|1,0,1]=4 843 B13R1.348 CC(=O)C\C(C)=C\c1ccccc1 Amb17778970 [0,1,0,0,1,0|0,0,0]=2 844 B13R1.348 CC(=O)C\C(C)=N/c1ccccc1 Amb2610547 [0,1,0,0,1,0|1,0,0]=3 845 B13R1.348 CC(=O)NC(=O)Nc1ccccc1 Amb4017470 [0,1,0,0,1,0|2,0,0]=4 846 B13R1.348 CC(=O)NC(=O)Oc1ccccc1 Amb28366948 [0,1,0,0,1,0|2,0,0]=4 847 B13R1.348 CC(=O)NC(=S)Nc1ccccc1 Amb2456399 [0,1,0,0,1,0|2,0,0]=4 848 B13R1.348 CC(=O)NC(C)Cc1ccccc1 Amb8503527 [0,1,0,0,1,0|1,0,1]=4 849 B13R1.348 CC(=O)NC(O)Cc1ccccc1 Amb28132759 [0,1,0,0,1,0|1,0,1]=4 850 B13R1.348 CC(=O)N\C(Cl)=C/c1ccccc1 Amb27442451 [0,1,0,0,1,0|1,0,0]=3 851 B13R1.348 CC(=O)\C=C(/C)Cc1ccccc1 Amb17778969 [0,1,0,0,1,0|0,0,2]=4 852 B13R1.348 CC(=O)\C=C(/C)Nc1ccccc1 Amb20672001 [0,1,0,0,1,0|1,0,1]=4 853 B13R1.348 CC(=O)\C=C(/Cl)Sc1ccccc1 Amb17595760 [0,1,0,0,1,0|1,0,1]=4 854 B13R1.348 CC(=O)\C=C(\C)Nc1ccccc1 Amb2386561 [0,1,0,0,1,0|1,0,1]=4 855 B13R1.348 CC(=O)\C=C(\N)Nc1ccccc1 Amb27876049 [0,1,0,0,1,0|1,0,1]=4 856 B13R1.348 CC(C)=C\C(C)=C/c1ccccc1 Amb10606581 [0,1,0,0,1,0|1,0,1]=4 857 B13R1.348 CC(C)=C\C(C)=C\c1ccccc1 Amb10842055 [0,1,0,0,1,0|1,0,1]=4 858 B13R1.348 CC(Cc1ccccc1)OC(=O)Cl Amb33297088 [0,1,0,0,1,0|1,0,1]=4 859 B13R1.348 CS(=O)CC(=O)Nc1ccccc1 Amb27830060 [0,1,0,0,1,0|2,0,0]=4 860 B13R1.348 C\C(=C/c1ccccc1)CC(=N)N Amb33381495 [0,1,0,0,1,0|2,0,0]=4 861 B13R1.348 C\C(=C/c1ccccc1)CC(=O)O Amb17594482 [0,1,0,0,1,0|1,0,0]=3 862 B13R1.348 C\C(=C/c1ccccc1)CC(C)Br Amb33476750 [0,1,0,0,1,0|1,0,1]=4 863 B13R1.348 C\C(=C/c1ccccc1)CC(C)O Amb28190232 [0,1,0,0,1,0|0,0,2]=4 864 B13R1.348 C\C(=C/c1ccccc1)CC(N)=O Amb33513125 [0,1,0,0,1,0|1,0,0]=3 865 B13R1.348 C\C(=C/c1ccccc1)CC(N)=S Amb33381499 [0,1,0,0,1,0|1,1,0]=4 866 B13R1.348 C\C(=C/c1ccccc1)CN(C)O Amb33476414 [0,1,0,0,1,0|1,0,1]=4 867 B13R1.348 C\C(=C/c1ccccc1)C[C@@H](C)N Amb33476743 [0,1,0,0,1,0|1,0,1]=4 868 B13R1.348 C\C(=C/c1ccccc1)C[C@@H](C)O Amb32954504 [0,1,0,0,1,0|0,0,2]=4 869 B13R1.348 C\C(=C/c1ccccc1)C[C@H](C)N Amb33476746 [0,1,0,0,1,0|1,0,1]=4 870 B13R1.348 C\C(=C/c1ccccc1)C[C@H](C)O Amb32953325 [0,1,0,0,1,0|0,0,2]=4 871 B13R1.348 C\C(=C/c1ccccc1)C[N+](=O)[O-] Amb33380907 [0,1,0,0,1,0|2,0,0]=4 872 B13R1.348 C\C(=C\c1ccccc1)NC(N)=O Amb26490847 [0,1,0,0,1,0|2,0,0]=4 873 B13R1.348 O=C(Cl)CC(=O)Nc1ccccc1 Amb27631237 [0,1,0,0,1,0|2,0,0]=4 874 B13R1.348 O=C(O)CC(=O)Nc1ccccc1 Amb2436726 [0,1,0,0,1,0|2,0,0]=4 875 B13R1.348 O=C([O-])CC(=O)Oc1ccccc1 Amb33513155 [0,1,0,0,1,0|2,0,0]=4 876 B13R1.351 C=C(Cl)C(O)\C=C\c1ccccc1 Amb27484752 [0,1,0,0,1,0|1,0,1]=4 877 B13R1.351 C=C(F)C(O)\C=C\c1ccccc1 Amb27261705 [0,1,0,0,1,0|1,0,1]=4 878 B13R1.351 C=C(\C=C\c1ccccc1)C(=O)O Amb33081816 [0,1,0,0,1,0|1,0,1]=4 879 B13R1.351 C=C(\C=C\c1ccccc1)C(C)=O Amb27205181 [0,1,0,0,1,0|0,0,1]=3 880 B13R1.351 CC(=O)C(C)OCc1ccccc1 Amb16231123 [0,1,0,0,1,0|1,0,1]=4 881 B13R1.351 CC(=O)C(C)SCc1ccccc1 Amb9216163 [0,1,0,0,1,0|1,0,1]=4 882 B13R1.351 CC(=O)C(O)\C=C\c1ccccc1 Amb27861376 [0,1,0,0,1,0|0,0,0]=2 883 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 Amb24492590 [0,1,0,0,1,0|1,0,1]=4 884 B13R1.351 CC(=O)\C(C)=C/Nc1ccccc1 Amb17778142 [0,1,0,0,1,0|1,0,1]=4 885 B13R1.351 CC(=O)\C(Cl)=C\Nc1ccccc1 Amb28290344 [0,1,0,0,1,0|1,0,1]=4 886 B13R1.351 CC(C)C(Cl)\C=C\c1ccccc1 Amb27419922 [0,1,0,0,1,0|1,0,1]=4 887 B13R1.351 CC(C)C(O)\C=C\c1ccccc1 Amb27405123 [0,1,0,0,1,0|1,0,1]=4 888 B13R1.351 CC(O)C(C)\C=C\c1ccccc1 Amb32950466 [0,1,0,0,1,0|0,0,2]=4 889 B13R1.351 CC(O)C(O)\C=C\c1ccccc1 Amb27206448 [0,1,0,0,1,0|0,0,2]=4 890 B13R1.351 CC(\C=C\c1ccccc1)C(=O)O Amb18127714 [0,1,0,0,1,0|1,0,0]=3 891 B13R1.351 C[C@@H](N)[C@@H](O)\C=C\c1ccccc1 Amb25843898 [0,1,0,0,1,0|1,0,1]=4 892 B13R1.351 C[C@@H](O)[C@@H](N)\C=C\c1ccccc1 Amb27623283 [0,1,0,0,1,0|0,0,2]=4 893 B13R1.351 C[C@@H](O)[C@H](C)\C=C\c1ccccc1 Amb28321539 [0,1,0,0,1,0|0,0,2]=4 894 B13R1.351 C[C@@H](\C=C\c1ccccc1)C(=O)O Amb27592192 [0,1,0,0,1,0|1,0,0]=3 895 B13R1.351 C[C@@H](\N=C\c1ccccc1)C(=O)[O-] Amb27639352 [0,1,0,0,1,0|2,0,0]=4 896 B13R1.351 C[C@H](N)[C@H](O)\C=C\c1ccccc1 Amb28367188 [0,1,0,0,1,0|1,0,1]=4 897 B13R1.351 C[C@H](O)[C@@H](C)\C=C\c1ccccc1 Amb28319963 [0,1,0,0,1,0|0,0,2]=4 898 B13R1.351 C[C@H](\C=C\c1ccccc1)C(=O)O Amb27179112 [0,1,0,0,1,0|1,0,0]=3 899 B13R1.351 N[C@@H](\C=C\c1ccccc1)C(=O)O Amb2694855 [0,1,0,0,1,0|1,0,0]=3 900 B13R1.351 O=C(O)C(=O)\C=C/c1ccccc1 Amb27628477 [0,1,0,0,1,0|1,0,1]=4 901 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb16192457 [0,1,0,0,1,0|1,0,1]=4 902 B13R1.351 O=C(O)C(=O)\C=C\c1ccccc1 Amb4477338 [0,1,0,0,1,0|1,0,1]=4 903 B13R1.351 O=C(O)C(O)\C=C\c1ccccc1 Amb17594531 [0,1,0,0,1,0|1,0,0]=3 904 B13R1.351 O=C(O)[C@H](O)\C=C\c1ccccc1 Amb26621099 [0,1,0,0,1,0|1,0,0]=3 905 B13R1.513 CC(=N)N\C=C\c1ccc(Cl)cc1 Amb27642280 [0,1,0,0,1,0|2,0,0]=4 906 B13R1.513 CC(=O)C=C=Cc1ccc(F)cc1 Amb27836824 [0,1,0,0,1,0|0,0,2]=4 907 B13R1.513 CC(=O)CCCc1ccc(Br)cc1 Amb17255478 [0,1,0,0,1,0|0,0,2]=4 908 B13R1.513 CC(=O)CCCc1ccc(C)cc1 Amb17233200 [0,1,0,0,1,0|0,0,2]=4 909 B13R1.513 CC(=O)CCCc1ccc(Cl)cc1 Amb17236503 [0,1,0,0,1,0|0,0,2]=4 910 B13R1.513 CC(=O)CCCc1ccc(F)cc1 Amb17233677 [0,1,0,0,1,0|0,0,2]=4 911 B13R1.513 CC(=O)CCNc1ccc(Cl)cc1 Amb27415740 [0,1,0,0,1,0|1,0,1]=4 912 B13R1.513 CC(=O)CCOc1ccc(C)cc1 Amb7777317 [0,1,0,0,1,0|1,0,1]=4 913 B13R1.513 CC(=O)CCOc1ccc(Cl)cc1 Amb17139725 [0,1,0,0,1,0|1,0,1]=4 914 B13R1.513 CC(=O)CCOc1ccc(F)cc1 Amb7777350 [0,1,0,0,1,0|1,0,1]=4 915 B13R1.513 CC(=O)CCSc1ccc(Br)cc1 Amb9224166 [0,1,0,0,1,0|1,0,1]=4 916 B13R1.513 CC(=O)CCSc1ccc(C)cc1 Amb9224163 [0,1,0,0,1,0|1,0,1]=4 917 B13R1.513 CC(=O)CCSc1ccc(Cl)cc1 Amb9224160 [0,1,0,0,1,0|1,0,1]=4 918 B13R1.513 CC(=O)CCSc1ccc(F)cc1 Amb9224174 [0,1,0,0,1,0|1,0,1]=4 919 B13R1.513 CC(=O)CSCc1ccc(Cl)cc1 Amb24064340 [0,1,0,0,1,0|1,0,1]=4 920 B13R1.513 CC(=O)C\C=C\c1ccc(F)cc1 Amb33448623 [0,1,0,0,1,0|0,0,0]=2 921 B13R1.513 CC(=O)C\C=C\c1ccc(O)cc1 Amb24747691 [0,1,0,0,1,0|0,0,0]=2 922 B13R1.513 CC(=O)C\C=N\c1ccc(C)cc1 Amb26840629 [0,1,0,0,1,0|1,0,0]=3 923 B13R1.513 CC(=O)NCCc1ccc(Br)cc1 Amb24451176 [0,1,0,0,1,0|1,0,1]=4 924 B13R1.513 CC(=O)NCCc1ccc(Cl)cc1 Amb22227659 [0,1,0,0,1,0|1,0,1]=4 925 B13R1.513 CC(=O)NCCc1ccc(N)cc1 Amb17138877 [0,1,0,0,1,0|1,0,1]=4 926 B13R1.513 CC(=O)NCCc1ccc(O)cc1 Amb5797418 [0,1,0,0,1,0|1,0,1]=4 927 B13R1.513 CC(=O)N\C=C\c1ccc(Cl)cc1 Amb27858920 [0,1,0,0,1,0|1,0,0]=3 928 B13R1.513 CC(=O)N\C=C\c1ccc(F)cc1 Amb26459773 [0,1,0,0,1,0|1,0,0]=3 929 B13R1.513 CC(=O)N\C=C\c1ccc(O)cc1 Amb26396654 [0,1,0,0,1,0|1,0,0]=3 930 B13R1.513 CC(=O)N\N=C\c1ccc(Cl)cc1 Amb16224983 [0,1,0,0,1,0|2,0,0]=4 931 B13R1.513 CC(=O)N\N=C\c1ccc(O)cc1 Amb3360654 [0,1,0,0,1,0|2,0,0]=4 932 B13R1.513 CC(=O)OCCc1ccc(C)cc1 Amb24100708 [0,1,0,0,1,0|0,0,1]=3 933 B13R1.513 CC(=O)O\N=C\c1ccc(O)cc1 Amb25302268 [0,1,0,0,1,0|1,0,0]=3 934 B13R1.513 CC(=O)\C=C\Nc1ccc(C)cc1 Amb27238701 [0,1,0,0,1,0|1,0,1]=4 935 B13R1.513 CC(=O)\C=C\Oc1ccc(C)cc1 Amb28052215 [0,1,0,0,1,0|1,0,1]=4 936 B13R1.513 CC(Br)C\C=C\c1ccc(F)cc1 Amb33336013 [0,1,0,0,1,0|1,0,1]=4 937 B13R1.513 CC(C)=C\C=C/c1ccc(Cl)cc1 Amb22546620 [0,1,0,0,1,0|1,0,1]=4 938 B13R1.513 CC(C)=C\C=C/c1ccc(F)cc1 Amb22546640 [0,1,0,0,1,0|1,0,1]=4 939 B13R1.513 CC(C)C\C=C/c1ccc(F)cc1 Amb22546602 [0,1,0,0,1,0|1,0,1]=4 940 B13R1.513 CC(O)C\C=C\c1ccc(F)cc1 Amb27197193 [0,1,0,0,1,0|0,0,2]=4 941 B13R1.513 CN(C)C\C=C\c1ccc(Br)cc1 Amb27485765 [0,1,0,0,1,0|2,0,0]=4 942 B13R1.513 CN(C)C\C=C\c1ccc(N)cc1 Amb25313363 [0,1,0,0,1,0|2,0,0]=4 943 B13R1.513 CN(O)C\C=C\c1ccc(F)cc1 Amb33224456 [0,1,0,0,1,0|1,0,1]=4 944 B13R1.513 C[C@@H](N)C\C=C\c1ccc(F)cc1 Amb33202437 [0,1,0,0,1,0|1,0,1]=4 945 B13R1.513 C[C@@H](O)C\C=C\c1ccc(F)cc1 Amb33202434 [0,1,0,0,1,0|0,0,2]=4 946 B13R1.513 C[C@H](N)C\C=C\c1ccc(F)cc1 Amb33202436 [0,1,0,0,1,0|1,0,1]=4 947 B13R1.513 C[C@H](O)C\C=C\c1ccc(F)cc1 Amb33202435 [0,1,0,0,1,0|0,0,2]=4 948 B13R1.513 C\C(N)=N\C=C\c1ccc(Cl)cc1 Amb27252251 [0,1,0,0,1,0|2,0,0]=4 949 B13R1.513 Cc1ccc(\C=C\CC(=O)O)cc1 Amb6740311 [0,1,0,0,1,0|1,0,0]=3 950 B13R1.513 Cc1ccc(\C=N\OC(N)=O)cc1 Amb28385706 [0,1,0,0,1,0|2,0,0]=4 951 B13R1.513 N=C(N)C\C=C\c1ccc(F)cc1 Amb33200202 [0,1,0,0,1,0|2,0,0]=4 952 B13R1.513 NC(=O)O\N=C\c1ccc(Cl)cc1 Amb26633071 [0,1,0,0,1,0|2,0,0]=4 953 B13R1.513 NC(=S)C\C=C\c1ccc(F)cc1 Amb33201171 [0,1,0,0,1,0|1,1,0]=4 954 B13R1.513 O=C(Cl)OCCc1ccc(Cl)cc1 Amb33297197 [0,1,0,0,1,0|1,0,1]=4 955 B13R1.513 O=C(O)C\C=C\c1ccc(Br)cc1 Amb32644833 [0,1,0,0,1,0|1,0,0]=3 956 B13R1.513 O=C(O)C\C=C\c1ccc(Cl)cc1 Amb18066407 [0,1,0,0,1,0|1,0,0]=3 957 B13R1.513 O=C(O)C\C=C\c1ccc(F)cc1 Amb18065898 [0,1,0,0,1,0|1,0,0]=3 958 B13R1.513 O=C(O)C\C=C\c1ccc(O)cc1 Amb18128099 [0,1,0,0,1,0|1,0,0]=3 959 B13R1.513 O=[N+]([O-])C\C=C\c1ccc(F)cc1 Amb33202420 [0,1,0,0,1,0|2,0,0]=4 960 B13R1.3523 CC(C)(N)C\C=C\c1ccccc1 Amb30030536 [0,1,0,0,1,0|1,0,1]=4 961 B13R1.3523 CC(C)(O)C\C=C\c1ccccc1 Amb33081335 [0,1,0,0,1,0|0,0,2]=4 962 B13R1.3523 CS(=O)(=O)C\C=C\c1ccccc1 Amb27769777 [0,1,0,0,1,0|1,0,0]=3 963 B13R1.3523 CS(=O)(=O)OCCc1ccccc1 Amb22493888 [0,1,0,0,1,0|1,0,1]=4 964 B13R1.3523 C[Si](C)(C)C\C=C\c1ccccc1 Amb21858903 [0,1,0,0,1,0|1,1,0]=4 965 B13R1.3523 O=P(O)(O)C\C=C\c1ccccc1 Amb22388864 [0,1,0,0,1,0|2,0,0]=4 966 B13R1.3523 O=S(=O)(Cl)C\C=C\c1ccccc1 Amb17062340 [0,1,0,0,1,0|2,0,0]=4 967 B13R1.3523 O=S(=O)(F)C\C=C\c1ccccc1 Amb33081078 [0,1,0,0,1,0|2,0,0]=4 968 B13R1.128 CC(=O)CC\C=C\c1cc(Br)cs1 Amb18230040 [0,1,0,0,1,0|2,0,0]=4 969 B13R1.128 CC(=O)CC\C=C\c1ccc(Br)s1 Amb18230038 [0,1,0,0,1,0|2,0,0]=4 970 B13R1.128 CC(=O)CC\C=C\c1ccc(Cl)s1 Amb18225313 [0,1,0,0,1,0|2,0,0]=4 971 B13R1.128 CC(=O)CC\C=C\c1ccn(C)c1 Amb18224579 [0,1,0,0,1,0|2,0,0]=4 972 B13R1.344 CC(=O)CC\C(C)=C\c1ccco1 Amb33311253 [0,1,0,0,1,0|2,0,0]=4 973 B15R1.871 CC(=O)OCCCOc1ccc(Br)cc1 Amb22504602 [0,1,0,0,0,1|0,0,2]=4 974 B15R1.871 CC(=O)OCCNCc1ccc(C)cc1 Amb18929213 [0,1,0,0,0,1|0,0,2]=4 975 B15R1.871 CC(=O)OCCNCc1ccc(Cl)cc1 Amb18929160 [0,1,0,0,0,1|0,0,2]=4 976 B15R1.871 O=C(O)CCC\C=C\c1ccc(F)cc1 Amb33079510 [0,1,0,0,0,1|2,0,0]=4 977 B15R1.962 CCC(=O)OCCNCc1ccccc1 Amb18266491 [0,1,0,0,0,1|0,0,2]=4 978 B15R1.962 COC(=O)CCO\N=C\c1ccccc1 Amb32434936 [0,1,0,0,0,1|2,0,0]=4 979 B15R1.962 COC(=O)COCCOc1ccccc1 Amb9206367 [0,1,0,0,0,1|1,0,1]=4 980 B15R1.1081 O=C(O)COCC(=O)Nc1ccccc1 Amb1086645 [0,1,0,0,0,1|2,0,0]=4 981 B15R1.3664 CC(NC\C=C\c1ccccc1)C(=O)O Amb9327035 [0,1,0,0,0,1|2,0,0]=4 982 B15R1.5919 CC(=O)CCC(=O)NCc1ccccc1 Amb16886463 [0,1,0,0,0,1|1,0,1]=4 983 B15R1.5919 CC(=O)CCC(=O)OCc1ccccc1 Amb6357593 [0,1,0,0,0,1|1,0,1]=4 984 B15R1.5919 CC(=O)NCC(=O)OCc1ccccc1 Amb25277285 [0,1,0,0,0,1|1,0,1]=4 985 B15R1.5919 CC(=O)OCC(=O)NCc1ccccc1 Amb3623988 [0,1,0,0,0,1|0,0,1]=3 986 B15R1.5919 CC(=O)OCC(C)NCc1ccccc1 Amb28203978 [0,1,0,0,0,1|0,0,2]=4 987 B15R1.5919 CC(=O)ONC(=O)OCc1ccccc1 Amb24323244 [0,1,0,0,0,1|1,0,1]=4 988 B15R1.9084 CC(=O)OC(C)CNCc1ccccc1 Amb18929272 [0,1,0,0,0,1|0,0,2]=4 989 B15R1.9084 N[C@@H](C\C=C\c1ccccc1)CC(=O)O Amb22746281 [0,1,0,0,0,1|2,0,0]=4 990 B15R1.9084 N[C@H](C\C=C\c1ccccc1)CC(=O)O Amb34192449 [0,1,0,0,0,1|2,0,0]=4 991 B15R1.120 CC(=O)CCC(=O)Nc1cccc(C)c1 Amb16886507 [0,2,0,0,0,0|2,0,0]=4 992 B15R1.120 CC(=O)CCC(=O)Nc1cccc(Cl)c1 Amb16886522 [0,2,0,0,0,0|2,0,0]=4 993 B15R1.120 CC(=O)CCC(=O)Nc1cccc(F)c1 Amb16886548 [0,2,0,0,0,0|2,0,0]=4 994 B15R1.120 CC(=O)CCC(=O)Nc1cccc(O)c1 Amb28325600 [0,2,0,0,0,0|2,0,0]=4 995 B15R1.120 CC(=O)NCC(=O)Nc1cccc(I)c1 Amb22266587 [0,2,0,0,0,0|2,0,0]=4 996 B15R1.123 Cc1cccc(\C=C\CCC(=O)O)c1C Amb17238113 [0,2,0,0,0,0|2,0,0]=4 997 B15R1.888 CC(=O)CC\C=C\c1ccc(C)c(C)c1 Amb18864690 [0,2,0,0,0,0|1,0,0]=3 998 B15R1.888 CC(=O)CC\C=C\c1ccc(F)c(C)c1 Amb18865435 [0,2,0,0,0,0|1,0,0]=3 999 B15R1.888 CC(=O)CC\C=C\c1ccc(F)c(Cl)c1 Amb18867758 [0,2,0,0,0,0|1,0,0]=3 1000 B15R1.888 CC(=O)CC\C=C\c1ccc(F)c(F)c1 Amb18866094 [0,2,0,0,0,0|1,0,0]=3 1001 B15R1.888 CC(=O)\C=C\C=C\c1ccc(Cl)c(Cl)c1 Amb31138308 [0,2,0,0,0,0|1,0,1]=4 1002 B15R1.888 Cc1cc(\C=C\CCC(=O)O)ccc1F Amb17239723 [0,2,0,0,0,0|2,0,0]=4 1003 B15R1.888 Cc1ccc(\C=C\CCC(=O)O)cc1C Amb17238092 [0,2,0,0,0,0|2,0,0]=4 1004 B15R1.888 O=C(O)CC\C=C\c1ccc(F)c(F)c1 Amb17241108 [0,2,0,0,0,0|2,0,0]=4 1005 B15R1.5448 Cc1cc(C)cc(\C=C\CCC(=O)O)c1 Amb17238110 [0,2,0,0,0,0|2,0,0]=4 1006 B15R1.5448 O=C(O)CC\C=C\c1cc(F)cc(F)c1 Amb17241111 [0,2,0,0,0,0|2,0,0]=4 1007 B15R1.8273 CC(=O)CCNC(=O)c1cccc(Br)c1 Amb17102887 [0,2,0,0,0,0|2,0,0]=4 1008 B15R1.8273 CC(=O)CCNC(=O)c1cccc(C)c1 Amb17102881 [0,2,0,0,0,0|2,0,0]=4 1009 B15R1.8273 CC(=O)CCNC(=O)c1cccc(Cl)c1 Amb17102916 [0,2,0,0,0,0|2,0,0]=4 1010 B15R1.8273 CC(=O)CCNC(=O)c1cccc(F)c1 Amb17102884 [0,2,0,0,0,0|2,0,0]=4 1011 B15R1.8273 C\C(=C/CCC(=O)O)c1cccc(C)c1 Amb17238107 [0,2,0,0,0,0|2,0,0]=4 1012 B15R1.8273 C\C(=C/CCC(=O)O)c1cccc(Cl)c1 Amb17246769 [0,2,0,0,0,0|2,0,0]=4 1013 B15R1.8273 C\C(=C/CCC(=O)O)c1cccc(F)c1 Amb17239733 [0,2,0,0,0,0|2,0,0]=4 1014 B15R1.8448 CC(=O)CC\C=C\c1cc(C)ccc1C Amb18864691 [0,2,0,0,0,0|1,0,0]=3 1015 B15R1.8448 CC(=O)CC\C=C\c1cc(Cl)ccc1F Amb18867759 [0,2,0,0,0,0|1,0,0]=3 1016 B15R1.8448 CC(=O)CC\C=C\c1cc(F)ccc1F Amb18866093 [0,2,0,0,0,0|1,0,0]=3 1017 B15R1.8448 CC(=O)\C=C\C=C\c1cc(C)ccc1C Amb31116133 [0,2,0,0,0,0|1,0,1]=4 1018 B15R1.8448 Cc1ccc(C)c(\C=C\CCC(=O)O)c1 Amb17238093 [0,2,0,0,0,0|2,0,0]=4 1019 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1Br Amb17363517 [0,2,0,0,0,0|2,0,0]=4 1020 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1C Amb16886506 [0,2,0,0,0,0|2,0,0]=4 1021 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1Cl Amb17343485 [0,2,0,0,0,0|2,0,0]=4 1022 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1F Amb16886520 [0,2,0,0,0,0|2,0,0]=4 1023 B15R1.256 CC(=O)NCC(=O)Nc1ccccc1Br Amb8226393 [0,2,0,0,0,0|2,0,0]=4 1024 B15R1.256 CC(=O)SCC(=O)Nc1ccccc1F Amb33313520 [0,2,0,0,0,0|1,1,0]=4 1025 B15R1.5821 CC(=O)CC\C=C\c1ccc(C)cc1C Amb18864692 [0,2,0,0,0,0|1,0,0]=3 1026 B15R1.5821 CC(=O)CC\C=C\c1ccc(F)cc1F Amb18866095 [0,2,0,0,0,0|1,0,0]=3 1027 B15R1.5821 CC(=O)\C=C\C=C\c1ccc(C)cc1C Amb31116134 [0,2,0,0,0,0|1,0,1]=4 1028 B15R1.5821 CC(=O)\C=C\C=C\c1ccc(Cl)cc1Cl Amb31138307 [0,2,0,0,0,0|1,0,1]=4 1029 B15R1.5821 Cc1ccc(\C=C\CCC(=O)O)c(C)c1 Amb17238096 [0,2,0,0,0,0|2,0,0]=4 1030 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Br Amb17102886 [0,2,0,0,0,0|2,0,0]=4 1031 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1C Amb17102880 [0,2,0,0,0,0|2,0,0]=4 1032 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Cl Amb17102915 [0,2,0,0,0,0|2,0,0]=4 1033 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1F Amb17102883 [0,2,0,0,0,0|2,0,0]=4 1034 B15R1.8019 C\C(=C/CCC(=O)O)c1ccccc1C Amb17238103 [0,2,0,0,0,0|2,0,0]=4 1035 B15R1.8019 C\C(=C/CCC(=O)O)c1ccccc1Cl Amb17246765 [0,2,0,0,0,0|2,0,0]=4 1036 B15R1.8019 C\C(=C/CCC(=O)O)c1ccccc1F Amb17239729 [0,2,0,0,0,0|2,0,0]=4 1037 B15R1.882 CC(=O)CCNC(=O)c1ccc(Br)cc1 Amb17102888 [0,2,0,0,0,0|2,0,0]=4 1038 B15R1.882 CC(=O)CCNC(=O)c1ccc(C)cc1 Amb17102882 [0,2,0,0,0,0|2,0,0]=4 1039 B15R1.882 CC(=O)CCNC(=O)c1ccc(Cl)cc1 Amb17102917 [0,2,0,0,0,0|2,0,0]=4 1040 B15R1.882 CC(=O)CCNC(=O)c1ccc(F)cc1 Amb17102885 [0,2,0,0,0,0|2,0,0]=4 1041 B15R1.882 C\C(=C/CCC(=O)O)c1ccc(Br)cc1 Amb17273828 [0,2,0,0,0,0|2,0,0]=4 1042 B15R1.882 C\C(=C/CCC(=O)O)c1ccc(C)cc1 Amb17238090 [0,2,0,0,0,0|2,0,0]=4 1043 B15R1.882 C\C(=C/CCC(=O)O)c1ccc(Cl)cc1 Amb17246754 [0,2,0,0,0,0|2,0,0]=4 1044 B15R1.882 C\C(=C/CCC(=O)O)c1ccc(F)cc1 Amb17239722 [0,2,0,0,0,0|2,0,0]=4 1045 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 Amb2720741 [0,2,0,0,0,0|1,0,1]=4 1046 B15R1.959 COC(=O)CCNC(=O)c1ccccc1 Amb684817 [0,2,0,0,0,0|2,0,0]=4 1047 B15R1.1078 CC(=O)OCC(=O)N(N)c1ccccc1 Amb33191331 [0,2,0,0,0,0|1,0,0]=3 1048 B15R1.1078 CC(=O)OCC(=O)N(N)c1ccccn1 Amb33191446 [0,2,0,0,0,0|2,0,0]=4 1049 B15R1.5331 CCN(CCOC(C)=O)c1ccccc1 Amb4011956 [0,2,0,0,0,0|1,0,1]=4 1050 B15R1.111 CC(=O)CCC(=O)Nc1ccc(Br)cc1 Amb17363516 [0,2,0,0,0,0|2,0,0]=4 1051 B15R1.111 CC(=O)CCC(=O)Nc1ccc(C)cc1 Amb16886508 [0,2,0,0,0,0|2,0,0]=4 1052 B15R1.111 CC(=O)CCC(=O)Nc1ccc(Cl)cc1 Amb16886523 [0,2,0,0,0,0|2,0,0]=4 1053 B15R1.111 CC(=O)CCC(=O)Nc1ccc(F)cc1 Amb16886521 [0,2,0,0,0,0|2,0,0]=4 1054 B15R1.111 CC(=O)CCC(=O)Nc1ccc(I)cc1 Amb28363592 [0,2,0,0,0,0|2,0,0]=4 1055 B15R1.111 CC(=O)CCC(=O)Nc1ccc(O)cc1 Amb27171838 [0,2,0,0,0,0|2,0,0]=4 1056 B15R1.111 CC(=O)NCC(=O)Nc1ccc(Br)cc1 Amb8273050 [0,2,0,0,0,0|2,0,0]=4 1057 B15R1.111 CC(=O)NCC(=O)Nc1ccc(I)cc1 Amb22266579 [0,2,0,0,0,0|2,0,0]=4 1058 B15R1.111 CC(=O)OCC(=O)Cc1ccc(Cl)cc1 Amb32405730 [0,2,0,0,0,0|0,0,1]=3 1059 B15R1.496 C\C(=C/c1ccccc1)C(C)CC(=O)O Amb33506948 [0,2,0,0,0,0|2,0,0]=4 1060 B15R1.496 C\C(=C/c1ccccc1)C(N)CC(=O)O Amb32952378 [0,2,0,0,0,0|2,0,0]=4 1061 B15R1.496 C\C(=C/c1ccccc1)C(O)CC(=O)O Amb32951826 [0,2,0,0,0,0|2,0,0]=4 1062 B15R1.496 C\C(=C/c1ccccc1)[C@@H](O)CC(=O)O Amb33476701 [0,2,0,0,0,0|2,0,0]=4 1063 B15R1.496 C\C(=C/c1ccccc1)[C@H](O)CC(=O)O Amb33476716 [0,2,0,0,0,0|2,0,0]=4 1064 B15R1.964 COC(=O)CCC(=O)Nc1ccccc1 Amb6345853 [0,2,0,0,0,0|2,0,0]=4 1065 B15R1.964 NCC(=O)NCC(=O)Nc1ccccc1 Amb5782450 [0,2,0,0,0,0|2,0,0]=4 1066 B15R1.964 O=C(CCl)NCC(=O)Nc1ccccc1 Amb24115196 [0,2,0,0,0,0|2,0,0]=4 1067 B15R1.3675 C\C(=C/c1ccccc1)CC(=O)C(=O)O Amb33476426 [0,2,0,0,0,0|2,0,0]=4 1068 B15R1.3675 C\C(=C/c1ccccc1)CC(C)C(=O)O Amb33476394 [0,2,0,0,0,0|2,0,0]=4 1069 B15R1.3675 C\C(=C/c1ccccc1)CC(N)C(=O)O Amb33476119 [0,2,0,0,0,0|2,0,0]=4 1070 B15R1.3675 C\C(=C/c1ccccc1)CC(O)C(=O)O Amb33476398 [0,2,0,0,0,0|2,0,0]=4 1071 B15R1.4008 CC(=O)OCC(CO)Cc1ccccc1 Amb32405236 [0,2,0,0,0,0|0,0,2]=4 1072 B15R1.9108 C\C(=C/c1ccccc1)COS(N)(=O)=O Amb33381492 [0,2,0,0,0,0|2,0,0]=4 1073 B15R1.112 CC(C\C=C\c1ccc(F)cc1)C(=O)O Amb33326708 [0,2,0,0,0,0|2,0,0]=4 1074 B15R1.112 NC(C\C=C\c1ccc(F)cc1)C(=O)O Amb33327054 [0,2,0,0,0,0|2,0,0]=4 1075 B15R1.112 O=C(O)C(=O)C\C=C\c1ccc(F)cc1 Amb33326724 [0,2,0,0,0,0|2,0,0]=4 1076 B15R1.870 CC(\C=C\c1ccc(F)cc1)CC(=O)O Amb33326715 [0,2,0,0,0,0|2,0,0]=4 1077 B15R1.870 NC(\C=C\c1ccc(F)cc1)CC(=O)O Amb33326436 [0,2,0,0,0,0|2,0,0]=4 1078 B15R1.870 O=C(O)CC(O)\C=C\c1ccc(F)cc1 Amb33448762 [0,2,0,0,0,0|2,0,0]=4 1079 B15R1.870 O=C(O)C[C@@H](O)\C=C\c1ccc(F)cc1 Amb33326563 [0,2,0,0,0,0|2,0,0]=4 1080 B15R1.870 O=C(O)C[C@H](O)\C=C\c1ccc(F)cc1 Amb33326564 [0,2,0,0,0,0|2,0,0]=4 1081 B15R1.909 NS(=O)(=O)OC\C=C\c1ccc(F)cc1 Amb33054519 [0,2,0,0,0,0|2,0,0]=4 1082 B15R1.741 COC(=O)CC(=O)\C=C\c1ccccc1 Amb34913397 [0,2,0,0,0,0|1,0,1]=4 1083 B15R1.778 CCCC(=O)OCCCc1ccccc1 Amb22732786 [0,2,0,0,0,0|0,0,2]=4 1084 B15R1.778 CCCC(=O)OCCOc1ccccc1 Amb21964300 [0,2,0,0,0,0|1,0,1]=4 1085 B15R1.778 CCCC(=O)OC\C=C\c1ccccc1 Amb6297856 [0,2,0,0,0,0|0,0,0]=2 1086 B15R1.778 N#CCC(=O)OCCCc1ccccc1 Amb17210530 [0,2,0,0,0,0|0,0,2]=4 1087 B15R1.778 N#CCC(=O)OCCOc1ccccc1 Amb17210529 [0,2,0,0,0,0|1,0,1]=4 1088 B15R1.3678 NC(C(=O)O)C(O)\C=C\c1ccccc1 Amb32954104 [0,2,0,0,0,0|2,0,0]=4 1089 B15R1.12240 CC(C)(\C=C\c1ccccc1)CC(=O)O Amb32953216 [0,2,0,0,0,0|2,0,0]=4 1090 B15R1.12240 O=C(O)CC(F)(F)\C=C\c1ccccc1 Amb33080779 [0,2,0,0,0,0|2,0,0]=4 1091 B15R1.9012 CC(C)(C\C=C\c1ccccc1)C(=O)O Amb32951831 [0,2,0,0,0,0|2,0,0]=4 1092 B15R1.9012 CC(O)(C\C=C\c1ccccc1)C(=O)O Amb33081073 [0,2,0,0,0,0|2,0,0]=4 1093 B15R1.9012 O=C(O)C(F)(F)C\C=C\c1ccccc1 Amb33080749 [0,2,0,0,0,0|2,0,0]=4 1094 B13R1.51 C=Cc1cc(Br)ccc1OC(C)=O Amb27597503 [0,0,1,1,0,0|1,0,1]=4 1095 B13R1.893 CC(=O)OCC1=CC(=O)C=CC1=O Amb28044776 [0,0,1,1,0,0|2,0,0]=4 1096 B13R1.893 CC(=O)OCc1cc(Br)ccc1F Amb24730977 [0,0,1,1,0,0|2,0,0]=4 1097 B13R1.893 CC(=O)OCc1cc(C)ccc1C Amb26976634 [0,0,1,1,0,0|0,0,2]=4 1098 B13R1.893 CC(=O)OCc1cc(Cl)ccc1Cl Amb27661933 [0,0,1,1,0,0|2,0,0]=4 1099 B13R1.893 CC(=O)OCc1cc(Cl)ccc1O Amb8575282 [0,0,1,1,0,0|2,0,0]=4 1100 B13R1.893 CC(=O)OCc1cc(F)ccc1Br Amb28205664 [0,0,1,1,0,0|2,0,0]=4 1101 B13R1.893 CC(=O)OCc1cc(F)ccc1C Amb27595317 [0,0,1,1,0,0|1,0,1]=4 1102 B13R1.893 CC(=O)OCc1cc(O)ccc1Cl Amb28316992 [0,0,1,1,0,0|2,0,0]=4 1103 B13R1.142 C=CCc1ccc(OC(C)=O)cc1 Amb6299146 [0,0,1,1,0,0|0,0,2]=4 1104 B13R1.643 CC(=O)OCc1cccc(C#N)c1 Amb24437890 [0,0,1,1,0,0|1,0,1]=4 1105 B13R1.90 CC(=O)OCc1ccccc1C#N Amb22047886 [0,0,1,1,0,0|1,0,1]=4 1106 B13R1.90 CNc1ccccc1COC(C)=O Amb27415810 [0,0,1,1,0,0|1,0,1]=4 1107 B13R2.1 CNCC1C=Cc2ccccc21 Amb27463630 [1,0,0,1,0,0|2,0,0]=4 1108 B13R2.1 O=CCC1C=Cc2ccccc21 Amb27793030 [1,0,0,1,0,0|1,0,0]=3 1109 B13R2.1 O=CCn1ccc2ccccc21 Amb5501655 [1,0,0,1,0,0|2,0,0]=4 1110 B13R2.1 O=COC1CNc2ccccc21 Amb28052802 [1,0,0,1,0,0|1,0,1]=4 1111 B13R2.3 C1=C(c2ccccc2)CCCC1 Amb8513291 [1,0,0,1,0,0|1,0,1]=4 1112 B13R2.3 C1=C(c2ccccc2)CCNC1 Amb1153094 [1,0,0,1,0,0|1,0,1]=4 1113 B13R2.3 C1=C(c2ccccc2)CCNC1 Amb535503 [1,0,0,1,0,0|1,0,1]=4 1114 B13R2.3 C1=C(c2ccccc2)CCOC1 Amb21960770 [1,0,0,1,0,0|0,0,1]=3 1115 B13R2.3 C1=C(c2ccccc2)CNCC1 Amb18645223 [1,0,0,1,0,0|2,0,0]=4 1116 B13R2.3 C1=C(c2ccccc2)CNCC1 Amb28600223 [1,0,0,1,0,0|2,0,0]=4 1117 B13R2.3 C1=C(c2ccccn2)CCOC1 Amb28188151 [1,0,0,1,0,0|1,0,1]=4 1118 B13R2.3 C1=C(c2cccnc2)CCOC1 Amb33077272 [1,0,0,1,0,0|1,0,1]=4 1119 B13R2.3 C1=C(c2ccncc2)CCOC1 Amb33077287 [1,0,0,1,0,0|1,0,1]=4 1120 B13R2.15 Brc1occc1-c2ccccc2 Amb13884539 [1,0,0,1,0,0|1,0,1]=4 1121 B13R2.15 Brc1oncc1-c2ccccc2 Amb28129423 [1,0,0,1,0,0|2,0,0]=4 1122 B13R2.15 Cc1cocc1-c2ccccc2 Amb27947523 [1,0,0,1,0,0|2,0,0]=4 1123 B13R2.15 Cc1nocc1-c2ccccc2 Amb24707807 [1,0,0,1,0,0|2,0,0]=4 1124 B13R2.15 Cc1oncc1-c2ccccc2 Amb27243828 [1,0,0,1,0,0|1,0,0]=3 1125 B13R2.15 Nc1oncc1-c2ccccc2 Amb2384414 [1,0,0,1,0,0|2,0,0]=4 1126 B13R2.15 O=C1CCC=C1c2ccccc2 Amb24099094 [1,0,0,1,0,0|1,0,0]=3 1127 B13R2.15 O=C1N=NC=C1c2ccccc2 Amb24122127 [1,0,0,1,0,0|2,0,0]=4 1128 B13R2.15 O=C1OCCC1c2ccccc2 Amb10606603 [1,0,0,1,0,0|0,0,2]=4 1129 B13R2.15 O=C1OCCN1c2ccccc2 Amb2721031 [1,0,0,1,0,0|1,0,1]=4 1130 B13R2.15 O=C1ON=CC1c2ccccc2 Amb25891987 [1,0,0,1,0,0|1,0,1]=4 1131 B13R2.15 O=C1ONC=C1c2ccccc2 Amb27843526 [1,0,0,1,0,0|1,0,0]=3 1132 B13R2.15 O=C1ONC=C1c2ccccn2 Amb27255367 [1,0,0,1,0,0|2,0,0]=4 1133 B13R2.15 Oc1oncc1-c2ccccc2 Amb27490784 [1,0,0,1,0,0|1,0,1]=4 1134 B13R2.17 CC1OC1\C=C\c2ccccc2 Amb25328517 [1,0,0,1,0,0|0,0,1]=3 1135 B13R2.27 O=C1CC\C1=C/c2ccccc2 Amb25366584 [1,0,0,1,0,0|1,0,0]=3 1136 B13R2.27 O=C1CS\C1=C\c2ccccc2 Amb17594489 [1,0,0,1,0,0|2,0,0]=4 1137 B13R2.64 C(=C1/CCNC1)/c2ccccc2 Amb26544410 [1,0,0,1,0,0|1,0,1]=4 1138 B13R2.64 C(=C1CCCC1)c2ccccc2 Amb10606582 [1,0,0,1,0,0|1,0,1]=4 1139 B13R2.1613 O=Cc1cccc2ccccc12 Amb2792749 [1,0,0,1,0,0|1,0,1]=4 1140 B13R2.1613 O=Cc1nccc2ccccc12 Amb8010574 [1,0,0,1,0,0|2,0,0]=4 1141 B13R2.2382 C(=C\c1ccccc1)/CC2CO2 Amb33080785 [1,0,0,1,0,0|2,0,0]=4 1142 B13R2.2383 C(=C\C1CCN1)/c2ccccc2 Amb32954170 [1,0,0,1,0,0|1,0,1]=4 1143 B13R2.2383 C(=C\C1CNC1)/c2ccccc2 Amb33081497 [1,0,0,1,0,0|2,0,0]=4 1144 B13R2.5252 O=C1C=CC=Cc2ccccc21 Amb22543219 [1,0,0,1,0,0|1,0,1]=4 1145 B13R2.5252 O=C1CCC=Cc2ccccc21 Amb27802729 [1,0,0,1,0,0|1,0,0]=3 1146 B13R2.5252 O=C1NCC=Nc2ccccc21 Amb23592207 [1,0,0,1,0,0|2,0,0]=4 1147 B13R2.10 Brc1cc(-c2ccccc2)co1 Amb10600637 [0,0,0,1,1,0|1,0,1]=4 1148 B13R2.10 Brc1nc(-c2ccccc2)co1 Amb28400187 [0,0,0,1,1,0|2,0,0]=4 1149 B13R2.10 CN1CC=C(c2ccccc2)C1 Amb22235338 [0,0,0,1,1,0|2,0,0]=4 1150 B13R2.10 Cc1cc(-c2ccccc2)no1 Amb10553849 [0,0,0,1,1,0|2,0,0]=4 1151 B13R2.10 Cc1nc(-c2ccccc2)co1 Amb17400054 [0,0,0,1,1,0|1,0,0]=3 1152 B13R2.10 Cc1nc(-c2ccccc2)cs1 Amb6367662 [0,0,0,1,1,0|1,1,0]=4 1153 B13R2.10 Cc1nc(-c2ccccc2)no1 Amb2766523 [0,0,0,1,1,0|2,0,0]=4 1154 B13R2.10 Cc1ncc(-c2ccccc2)o1 Amb4139870 [0,0,0,1,1,0|1,0,1]=4 1155 B13R2.10 Ic1nc(-c2ccccc2)co1 Amb25095972 [0,0,0,1,1,0|2,0,0]=4 1156 B13R2.10 NC1=CC(c2ccccc2)=CC1 Amb27179592 [0,0,0,1,1,0|1,0,1]=4 1157 B13R2.10 Nc1cc(-c2ccccc2)co1 Amb10600638 [0,0,0,1,1,0|1,0,1]=4 1158 B13R2.10 Nc1nc(-c2ccccc2)co1 Amb33529509 [0,0,0,1,1,0|2,0,0]=4 1159 B13R2.10 O=C1C=C(c2ccccc2)CC1 Amb10669546 [0,0,0,1,1,0|0,0,2]=4 1160 B13R2.10 O=C1C=C(c2ccccc2)CN1 Amb25881513 [0,0,0,1,1,0|1,0,1]=4 1161 B13R2.10 O=C1C=C(c2ccccc2)CO1 Amb24633865 [0,0,0,1,1,0|0,0,1]=3 1162 B13R2.10 O=C1C=C(c2ccccc2)SC1 Amb27164569 [0,0,0,1,1,0|1,0,1]=4 1163 B13R2.10 O=C1C=CN(c2ccccc2)C1 Amb4010318 [0,0,0,1,1,0|1,0,1]=4 1164 B13R2.10 O=C1C=C[C@H](c2ccccc2)C1 Amb27177992 [0,0,0,1,1,0|0,0,2]=4 1165 B13R2.10 O=C1CC(c2ccccc2)=NN1 Amb2731501 [0,0,0,1,1,0|2,0,0]=4 1166 B13R2.10 O=C1CC(c2ccccc2)=NO1 Amb622006 [0,0,0,1,1,0|1,0,0]=3 1167 B13R2.10 O=C1CC(c2ccccc2)CN1 Amb1772919 [0,0,0,1,1,0|1,0,1]=4 1168 B13R2.10 O=C1CC(c2ccccc2)CO1 Amb28280068 [0,0,0,1,1,0|0,0,1]=3 1169 B13R2.10 O=C1CC(c2ccccn2)=NO1 Amb26512125 [0,0,0,1,1,0|2,0,0]=4 1170 B13R2.10 O=C1CC(c2cccnc2)=NO1 Amb22496083 [0,0,0,1,1,0|2,0,0]=4 1171 B13R2.10 O=C1CC(c2ccncc2)=NO1 Amb2405318 [0,0,0,1,1,0|2,0,0]=4 1172 B13R2.10 O=C1CCC(c2ccccc2)C1 Amb17138497 [0,0,0,1,1,0|0,0,2]=4 1173 B13R2.10 O=C1CCN(c2ccccc2)C1 Amb32410134 [0,0,0,1,1,0|1,0,1]=4 1174 B13R2.10 O=C1CCN(c2ccccc2)C1 Amb33528256 [0,0,0,1,1,0|1,0,1]=4 1175 B13R2.10 O=C1CC[C@@H](c2ccccc2)C1 Amb24323281 [0,0,0,1,1,0|0,0,2]=4 1176 B13R2.10 O=C1CC[C@H](c2ccccc2)C1 Amb24484347 [0,0,0,1,1,0|0,0,2]=4 1177 B13R2.10 O=C1CN=C(c2ccccc2)N1 Amb17842816 [0,0,0,1,1,0|2,0,0]=4 1178 B13R2.10 O=C1CN=C(c2ccccc2)O1 Amb3987291 [0,0,0,1,1,0|2,0,0]=4 1179 B13R2.10 O=C1COC(c2ccccc2)=N1 Amb27606825 [0,0,0,1,1,0|2,0,0]=4 1180 B13R2.10 O=C1CSC(c2ccccc2)=N1 Amb16231550 [0,0,0,1,1,0|2,0,0]=4 1181 B13R2.10 O=C1CSC(c2ccccc2)=N1 Amb2384341 [0,0,0,1,1,0|2,0,0]=4 1182 B13R2.10 O=C1C[C@@H](c2ccccc2)CN1 Amb25277165 [0,0,0,1,1,0|1,0,1]=4 1183 B13R2.10 O=C1C[C@@H](c2ccccc2)CO1 Amb27451585 [0,0,0,1,1,0|0,0,1]=3 1184 B13R2.10 O=C1C[C@H](c2ccccc2)CN1 Amb23401452 [0,0,0,1,1,0|1,0,1]=4 1185 B13R2.10 O=C1NC(c2ccccc2)=CS1 Amb18808971 [0,0,0,1,1,0|1,1,0]=4 1186 B13R2.10 O=C1NC(c2ccccc2)=NO1 Amb18788105 [0,0,0,1,1,0|2,0,0]=4 1187 B13R2.10 O=C1NC(c2ccccc2)CO1 Amb6346517 [0,0,0,1,1,0|1,0,1]=4 1188 B13R2.10 O=C1NC=C(c2ccccc2)N1 Amb19516863 [0,0,0,1,1,0|2,0,0]=4 1189 B13R2.10 O=C1NC=C(c2ccccc2)S1 Amb18808972 [0,0,0,1,1,0|2,0,0]=4 1190 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 Amb6295901 [0,0,0,1,1,0|1,0,1]=4 1191 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 Amb6295900 [0,0,0,1,1,0|1,0,1]=4 1192 B13R2.10 O=C1OCC(c2ccccc2)O1 Amb27790954 [0,0,0,1,1,0|1,0,1]=4 1193 B13R2.10 O=C1SC=C(c2ccccc2)S1 Amb21993101 [0,0,0,1,1,0|1,1,0]=4 1194 B13R2.10 Oc1nc(-c2ccccc2)co1 Amb22370821 [0,0,0,1,1,0|1,0,1]=4 1195 B13R2.10 Sc1nc(-c2ccccc2)co1 Amb19943960 [0,0,0,1,1,0|1,1,0]=4 1196 B13R2.31 O=C1CC(Cc2ccccc2)C1 Amb23401474 [0,0,0,1,1,0|0,0,2]=4 1197 B13R2.31 O=C1CC(Cc2ccccc2)N1 Amb27468739 [0,0,0,1,1,0|1,0,1]=4 1198 B13R2.31 O=C1CC(Oc2ccccc2)C1 Amb23439309 [0,0,0,1,1,0|1,0,1]=4 1199 B13R2.31 O=C1CC(Sc2ccccc2)C1 Amb32670640 [0,0,0,1,1,0|1,0,1]=4 1200 B13R2.31 O=C1CC(Sc2ccccc2)N1 Amb27264782 [0,0,0,1,1,0|2,0,0]=4 1201 B13R2.31 O=C1CC([Se]c2ccccc2)N1 Amb2612117 [0,0,0,1,1,0|2,0,0]=4 1202 B13R2.31 O=C1CN(Cc2ccccc2)C1 Amb10602421 [0,0,0,1,1,0|1,0,1]=4 1203 B13R2.31 O=C1C[C@@H](Cc2ccccc2)N1 Amb28243189 [0,0,0,1,1,0|1,0,1]=4 1204 B13R2.31 O=C1C[C@@H](Sc2ccccc2)N1 Amb27647757 [0,0,0,1,1,0|2,0,0]=4 1205 B13R2.31 OC1CC(=Cc2ccccc2)C1 Amb27763850 [0,0,0,1,1,0|0,0,2]=4 1206 B13R2.72 CC(=O)C1CCc2ccccc21 Amb24400099 [0,0,0,1,1,0|0,0,2]=4 1207 B13R2.72 CC(=O)C1COc2ccccc21 Amb23586289 [0,0,0,1,1,0|1,0,1]=4 1208 B13R2.72 CC(=O)N1CCc2ccccc21 Amb6357858 [0,0,0,1,1,0|1,0,1]=4 1209 B13R2.72 CC(=O)N1CNc2ccccc21 Amb28366373 [0,0,0,1,1,0|2,0,0]=4 1210 B13R2.72 CC(=O)N1COc2ccccc21 Amb28244203 [0,0,0,1,1,0|2,0,0]=4 1211 B13R2.72 CC(=O)N1CSc2ccccc21 Amb27416836 [0,0,0,1,1,0|2,0,0]=4 1212 B13R2.72 CC(=O)[C@@H]1CCc2ccccc21 Amb25834379 [0,0,0,1,1,0|0,0,2]=4 1213 B13R2.72 CC(=O)c1ccc2ccccn12 Amb18149670 [0,0,0,1,1,0|1,0,1]=4 1214 B13R2.72 CC(=O)c1ccc2coccc12 Amb25898997 [0,0,0,1,1,0|1,0,1]=4 1215 B13R2.72 CC(=O)c1ccn2ccccc12 Amb27490785 [0,0,0,1,1,0|1,0,1]=4 1216 B13R2.72 CC(=O)c1coc2ccccc12 Amb19887568 [0,0,0,1,1,0|1,0,1]=4 1217 B13R2.72 CC(=O)c1csc2ccccc12 Amb33528908 [0,0,0,1,1,0|1,0,1]=4 1218 B13R2.72 CC(=O)c1occ2ccccc12 Amb18199846 [0,0,0,1,1,0|1,0,1]=4 1219 B13R2.72 CC(=O)n1ccc2ccccc21 Amb4148705 [0,0,0,1,1,0|1,0,0]=3 1220 B13R2.72 CC(=O)n1ccc2cccnc21 Amb13884921 [0,0,0,1,1,0|2,0,0]=4 1221 B13R2.72 CC(=O)n1ccc2ccncc21 Amb24331013 [0,0,0,1,1,0|2,0,0]=4 1222 B13R2.72 CC(=O)n1ccc2cnccc21 Amb25151002 [0,0,0,1,1,0|2,0,0]=4 1223 B13R2.72 CC(=O)n1ccc2ncccc21 Amb26319358 [0,0,0,1,1,0|2,0,0]=4 1224 B13R2.72 CC(=O)n1ncc2ccccc21 Amb22235128 [0,0,0,1,1,0|2,0,0]=4 1225 B13R2.72 CC(Cl)C1C=Cc2ccccc21 Amb27777224 [0,0,0,1,1,0|1,0,1]=4 1226 B13R2.72 CC(O)C1C=Cc2ccccc21 Amb27478522 [0,0,0,1,1,0|0,0,2]=4 1227 B13R2.72 C[C@H](O)[C@@H]1C=Cc2ccccc21 Amb27880668 [0,0,0,1,1,0|0,0,2]=4 1228 B13R2.72 O=C(Cl)C1C=Cc2ccccc21 Amb27251392 [0,0,0,1,1,0|1,0,0]=3 1229 B13R2.72 O=C(O)C1C=Cc2ccccc21 Amb17470411 [0,0,0,1,1,0|1,0,0]=3 1230 B13R2.163 O=C1CCCc2ccccc2C1 Amb6360022 [0,0,0,1,1,0|0,0,2]=4 1231 B13R2.163 O=C1CCNc2ccccc2C1 Amb18829955 [0,0,0,1,1,0|1,0,1]=4 1232 B13R2.163 O=C1CCOc2ccccc2C1 Amb24352115 [0,0,0,1,1,0|1,0,1]=4 1233 B13R2.163 O=C1CCSc2ccccc2C1 Amb25878594 [0,0,0,1,1,0|1,0,1]=4 1234 B13R2.163 O=C1Cc2ccccc2C=CN1 Amb9798874 [0,0,0,1,1,0|1,0,0]=3 1235 B13R2.163 O=C1Cc2ccccc2CCN1 Amb16203437 [0,0,0,1,1,0|1,0,1]=4 1236 B13R2.163 O=C1Nc2ccccc2C=NO1 Amb28255633 [0,0,0,1,1,0|2,0,0]=4 1237 B13R2.163 O=C1OC=Nc2ccccc2O1 Amb24376626 [0,0,0,1,1,0|2,0,0]=4 1238 B13R2.219 O=S1(=O)CC=C1c2ccccc2 Amb27200378 [0,0,0,1,1,0|2,0,0]=4 1239 B13R2.423 CC(=O)C1CC1c2ccccc2 Amb534893 [0,0,0,1,1,0|0,0,2]=4 1240 B13R2.423 CC(=O)C1N=C1c2ccccc2 Amb25863961 [0,0,0,1,1,0|1,0,0]=3 1241 B13R2.423 CC(=O)[C@@H]1C[C@@H]1c2ccccc2 Amb27780823 [0,0,0,1,1,0|0,0,2]=4 1242 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 Amb25168893 [0,0,0,1,1,0|0,0,2]=4 1243 B13R2.423 CC(=O)[C@@H]1O[C@@H]1c2ccccc2 Amb26481631 [0,0,0,1,1,0|1,0,1]=4 1244 B13R2.423 CC(=O)[C@@H]1O[C@H]1c2ccccc2 Amb25174918 [0,0,0,1,1,0|1,0,1]=4 1245 B13R2.423 CC(=O)[C@H]1CC1c2ccccc2 Amb27770300 [0,0,0,1,1,0|0,0,2]=4 1246 B13R2.423 CC(=O)[C@H]1C[C@@H]1c2ccccc2 Amb28054879 [0,0,0,1,1,0|0,0,2]=4 1247 B13R2.423 CC(=O)[C@H]1C[C@H]1c2ccccc2 Amb24540267 [0,0,0,1,1,0|0,0,2]=4 1248 B13R2.423 CC(=O)[C@H]1O[C@@H]1c2ccccc2 Amb24601834 [0,0,0,1,1,0|1,0,1]=4 1249 B13R2.423 CC(=O)[C@H]1O[C@H]1c2ccccc2 Amb27966798 [0,0,0,1,1,0|1,0,1]=4 1250 B13R2.423 O=C(O)C1=C(c2ccccc2)C1 Amb28121109 [0,0,0,1,1,0|2,0,0]=4 1251 B13R2.3122 CC1(C)CC=Cc2ccccc21 Amb28388208 [0,0,0,1,1,0|1,0,1]=4 1252 B13R2.5881 CC(=O)NC1Cc2ccccc21 Amb17778879 [0,0,0,1,1,0|1,0,1]=4 1253 B13R2.5881 CC(=O)OC1Cc2ccccc21 Amb17778687 [0,0,0,1,1,0|0,0,1]=3 1254 B13R2.5881 CC(=O)\C=C1/Cc2ccccc21 Amb21948332 [0,0,0,1,1,0|0,0,2]=4 1255 B13R2.5881 O=C(O)CC1=Cc2ccccc21 Amb25148617 [0,0,0,1,1,0|1,0,0]=3 1256 B13R2.142 O=C1N\C(=C\c2ccco2)CO1 Amb27868402 [0,0,0,1,1,0|2,0,0]=4 1257 B15R2.6 C=C(C)CCn1ccc2ccccc21 Amb27796761 [0,0,0,1,0,1|2,0,0]=4 1258 B15R2.6 CC(=O)CCc1cnc2ccccn12 Amb33147734 [0,0,0,1,0,1|2,0,0]=4 1259 B15R2.6 CC(=O)CCc1cnn2ccccc12 Amb33147782 [0,0,0,1,0,1|2,0,0]=4 1260 B15R2.6 CC(=O)CCc1csc2ccccc12 Amb27146067 [0,0,0,1,0,1|1,0,0]=3 1261 B15R2.6 CC(=O)CCn1ccc2ccccc21 Amb27412080 [0,0,0,1,0,1|1,0,0]=3 1262 B15R2.6 CC(=O)CCn1ccc2cccnc21 Amb28051602 [0,0,0,1,0,1|2,0,0]=4 1263 B15R2.6 CC(=O)\C=C\c1csc2ccccc12 Amb27632580 [0,0,0,1,0,1|1,0,1]=4 1264 B15R2.6 CC(C)=CCn1ccc2ccccc21 Amb28244455 [0,0,0,1,0,1|2,0,0]=4 1265 B15R2.6 NC(=O)CCc1coc2ccccc12 Amb27847228 [0,0,0,1,0,1|2,0,0]=4 1266 B15R2.6 NC(=O)CCn1ccc2ccccc21 Amb1902855 [0,0,0,1,0,1|2,0,0]=4 1267 B15R2.6 NC(=O)OCc1coc2ccccc12 Amb27647621 [0,0,0,1,0,1|1,0,0]=3 1268 B15R2.6 O=C(O)CCC1=CCc2ccccc21 Amb24498312 [0,0,0,1,0,1|2,0,0]=4 1269 B15R2.6 O=C(O)CCc1csc2ccccc12 Amb18995289 [0,0,0,1,0,1|2,0,0]=4 1270 B15R2.6 O=C(O)CCn1ccc2ccccc21 Amb1215762 [0,0,0,1,0,1|2,0,0]=4 1271 B15R2.31 O=C1C=C(Nc2ccccc2)COC1 Amb28128687 [0,0,0,1,0,1|1,0,1]=4 1272 B15R2.31 O=C1CC(Cc2ccccc2)CCO1 Amb27963030 [0,0,0,1,0,1|0,0,2]=4 1273 B15R2.31 O=C1CN(Cc2ccccc2)CCO1 Amb22490281 [0,0,0,1,0,1|0,0,2]=4 1274 B15R2.31 OC1COC\C(=C\c2ccccc2)C1 Amb27775795 [0,0,0,1,0,1|0,0,2]=4 1275 B15R2.63 CC(=O)c1cccn1-c2ccccc2 Amb18822510 [0,0,0,1,0,1|1,0,1]=4 1276 B15R2.63 CC(=O)c1ccsc1-c2ccccc2 Amb28254722 [0,0,0,1,0,1|1,0,1]=4 1277 B15R2.63 CC(=O)c1nccn1-c2ccccc2 Amb27829184 [0,0,0,1,0,1|2,0,0]=4 1278 B15R2.63 CC(=O)c1ncsc1-c2ccccc2 Amb23603724 [0,0,0,1,0,1|2,0,0]=4 1279 B15R2.63 CC(=O)c1sccc1-c2ccccc2 Amb22437058 [0,0,0,1,0,1|0,1,1]=4 1280 B15R2.63 CC(=O)c1scnc1-c2ccccc2 Amb23603726 [0,0,0,1,0,1|2,0,0]=4 1281 B15R2.63 CC(=O)n1ccnc1-c2ccccc2 Amb25722062 [0,0,0,1,0,1|1,0,1]=4 1282 B15R2.63 NC(=O)C1=C(c2ccccc2)C=CC1 Amb27419394 [0,0,0,1,0,1|2,0,0]=4 1283 B15R2.63 O=C(Cl)c1occc1-c2ccccc2 Amb27856721 [0,0,0,1,0,1|1,0,1]=4 1284 B15R2.63 O=C(O)C1=C(c2ccccc2)OCO1 Amb27983827 [0,0,0,1,0,1|2,0,0]=4 1285 B15R2.63 O=C(O)c1occc1-c2ccccc2 Amb453172 [0,0,0,1,0,1|1,0,1]=4 1286 B15R2.63 O=C(O)c1oncc1-c2ccccc2 Amb24058270 [0,0,0,1,0,1|2,0,0]=4 1287 B15R2.283 O=C1C=C(NCc2ccccc2)CO1 Amb23562822 [0,0,0,1,0,1|0,0,2]=4 1288 B15R2.283 O=C1CC(\C=C\c2ccccc2)CN1 Amb33083000 [0,0,0,1,0,1|1,0,0]=3 1289 B15R2.283 O=C1CCC(\C=C\c2ccccc2)N1 Amb26436597 [0,0,0,1,0,1|2,0,0]=4 1290 B15R2.283 O=C1COC(CCc2ccccc2)C1 Amb35722230 [0,0,0,1,0,1|0,0,2]=4 1291 B15R2.283 O=C1NC(\C=C\c2ccccc2)CO1 Amb33081796 [0,0,0,1,0,1|1,0,0]=3 1292 B15R2.283 O=C1NCC(\C=C\c2ccccc2)O1 Amb32951534 [0,0,0,1,0,1|2,0,0]=4 1293 B15R2.543 O=C1CCCC=C(c2ccccc2)N1 Amb27602228 [0,0,0,1,0,1|2,0,0]=4 1294 B15R2.617 O=C1CC(COCc2ccccc2)O1 Amb27962753 [0,0,0,1,0,1|0,0,2]=4 1295 B15R2.1220 O=C(O)C1CC1\C=C\c2ccccc2 Amb32954167 [0,0,0,1,0,1|2,0,0]=4 1296 B15R2.1220 O=C(O)C1C\C1=C/Cc2ccccc2 Amb28184088 [0,0,0,1,0,1|2,0,0]=4 1297 B15R2.1220 O=C(O)[C@@H]1C[C@H]1\C=C\c2ccccc2 Amb33081282 [0,0,0,1,0,1|2,0,0]=4 1298 B15R2.68122 CC(=O)CC1NC=Nc2ccccc21 Amb27393709 [0,0,0,1,0,1|2,0,0]=4 1299 B15R2.68122 CC(=O)C[n+]1ccnc2ccccc21 Amb22358832 [0,0,0,1,0,1|2,0,0]=4 1300 B15R2.68122 CC(=O)Cc1cccc2ccccc12 Amb6674795 [0,0,0,1,0,1|1,0,1]=4 1301 B15R2.68122 CC(=O)Cc1ccnc2ccccc12 Amb27952210 [0,0,0,1,0,1|1,0,1]=4 1302 B15R2.68122 CC(=O)Cc1cncc2ccccc12 Amb27246500 [0,0,0,1,0,1|1,0,1]=4 1303 B15R2.68122 CC(=O)Nc1cccc2ccccc12 Amb3098438 [0,0,0,1,0,1|1,0,1]=4 1304 B15R2.68122 CC(=O)Nc1cncc2ccccc12 Amb2610142 [0,0,0,1,0,1|1,0,1]=4 1305 B15R2.68122 CC(=O)OC1CCCc2ccccc21 Amb22170321 [0,0,0,1,0,1|0,0,2]=4 1306 B15R2.68122 CC(=O)OC1CNCc2ccccc21 Amb25866948 [0,0,0,1,0,1|0,0,2]=4 1307 B15R2.68122 CC(=O)Oc1cccc2ccccc12 Amb2550053 [0,0,0,1,0,1|0,0,1]=3 1308 B15R2.68122 CC(=O)Oc1cccc2cccnc12 Amb2775654 [0,0,0,1,0,1|1,0,1]=4 1309 B15R2.68122 CC(C)OC1OC=Cc2ccccc21 Amb28283075 [0,0,0,1,0,1|1,0,1]=4 1310 B15R2.68122 NC(=O)Oc1cccc2ccccc12 Amb2713807 [0,0,0,1,0,1|1,0,1]=4 1311 B15R2.68122 O=C(Cl)Oc1cccc2ccccc12 Amb10844671 [0,0,0,1,0,1|1,0,1]=4 1312 B15R2.68122 O=C(O)CC1NC=Cc2ccccc21 Amb2793704 [0,0,0,1,0,1|2,0,0]=4 1313 B15R2.30 O=C1CC(c2cccc(Cl)c2)CCO1 Amb27632074 [0,1,0,1,0,0|0,0,2]=4 1314 B15R2.30 O=C1C[C@H](c2cccc(Cl)c2)CCO1 Amb27393669 [0,1,0,1,0,0|0,0,2]=4 1315 B15R2.377 CC(=O)Cn1ccc2cc(Br)ccc21 Amb27603114 [0,1,0,1,0,0|2,0,0]=4 1316 B15R2.377 CC(=O)Cn1ccc2cc(F)ccc21 Amb27769857 [0,1,0,1,0,0|2,0,0]=4 1317 B15R2.377 Cc1ccc2c(c1)C=CC2CC(=O)O Amb17470694 [0,1,0,1,0,0|2,0,0]=4 1318 B15R2.377 O=C(O)CC1C=Cc2cc(Cl)ccc21 Amb17471329 [0,1,0,1,0,0|2,0,0]=4 1319 B15R2.377 O=C(O)CC1C=Cc2cc(F)ccc21 Amb17470807 [0,1,0,1,0,0|2,0,0]=4 1320 B15R2.384 CC(=O)c1nccc2cc(Br)ccc12 Amb26593419 [0,1,0,1,0,0|2,0,0]=4 1321 B15R2.384 CC(=O)c1nccc2cc(C)ccc12 Amb19104785 [0,1,0,1,0,0|2,0,0]=4 1322 B15R2.1115 Cc1cccc(\C=C2\CCC(=O)N2)c1 Amb27872350 [0,1,0,1,0,0|2,0,0]=4 1323 B15R2.13624 CC(=O)Cn1ccc2cccc(Cl)c21 Amb27663213 [0,1,0,1,0,0|2,0,0]=4 1324 B15R2.13624 Cc1cccc2c1C(CC(=O)O)C=C2 Amb17470695 [0,1,0,1,0,0|2,0,0]=4 1325 B15R2.13624 O=C(O)CC1C=Cc2cccc(Cl)c21 Amb17471330 [0,1,0,1,0,0|2,0,0]=4 1326 B15R2.13624 O=C(O)CC1C=Cc2cccc(F)c21 Amb17470808 [0,1,0,1,0,0|2,0,0]=4 1327 B15R2.61345 CC(=O)c1nccc2cccc(C)c12 Amb19104809 [0,1,0,1,0,0|2,0,0]=4 1328 B15R2.61345 CC(=O)c1nccc2cccc(Cl)c12 Amb19104811 [0,1,0,1,0,0|2,0,0]=4 1329 B15R2.1237 O=C(O)C1CC=Cc2ccccc2C1 Amb27983841 [0,1,0,1,0,0|2,0,0]=4 1330 B15R2.1660 CC(=O)CCc1cc2ccccc2s1 Amb33312492 [0,1,0,1,0,0|1,0,0]=3 1331 B15R2.1660 CC(=O)CCc1cn2ccccc2n1 Amb26893592 [0,1,0,1,0,0|2,0,0]=4 1332 B15R2.1660 CC(=O)CCc1nc2ccccc2s1 Amb24591557 [0,1,0,1,0,0|2,0,0]=4 1333 B15R2.1660 CC(=O)CSc1cc2ccccc2o1 Amb28196636 [0,1,0,1,0,0|2,0,0]=4 1334 B15R2.1660 CC(=O)CSc1cc2ccccc2s1 Amb28051713 [0,1,0,1,0,0|2,0,0]=4 1335 B15R2.1660 CC(=O)NCc1nc2ccccc2s1 Amb8537939 [0,1,0,1,0,0|2,0,0]=4 1336 B15R2.1660 CC(=O)OCC1Cc2ccccc2N1 Amb27397613 [0,1,0,1,0,0|0,0,2]=4 1337 B15R2.1660 CC(=O)OCc1cn2ccccc2n1 Amb366400 [0,1,0,1,0,0|1,0,0]=3 1338 B15R2.1660 CC(=O)OCc1nc2ccccc2s1 Amb2852356 [0,1,0,1,0,0|1,0,0]=3 1339 B15R2.1660 CC(=O)\C=C\c1cc2ccccc2s1 Amb33312493 [0,1,0,1,0,0|1,0,1]=4 1340 B15R2.1660 O=C(O)CCc1cc2ccccc2o1 Amb450081 [0,1,0,1,0,0|2,0,0]=4 1341 B15R2.1660 O=C(O)CCc1cc2ccccc2s1 Amb18655531 [0,1,0,1,0,0|2,0,0]=4 1342 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 Amb6674796 [0,1,0,1,0,0|1,0,1]=4 1343 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 Amb9205983 [0,1,0,1,0,0|1,0,1]=4 1344 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 Amb967535 [0,1,0,1,0,0|1,0,1]=4 1345 B15R2.1668 CC(=O)Nc1ccc2ccccc2n1 Amb404260 [0,1,0,1,0,0|1,0,1]=4 1346 B15R2.1668 CC(=O)Oc1cc2ccccc2cn1 Amb27642977 [0,1,0,1,0,0|1,0,1]=4 1347 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 Amb4065335 [0,1,0,1,0,0|0,0,1]=3 1348 B15R2.1668 O=C(Cl)Oc1ccc2ccccc2c1 Amb19930198 [0,1,0,1,0,0|1,0,1]=4 1349 B15R2.8833 Cc1ccccc1\C=C\C2CC(=O)N2 Amb26614058 [0,1,0,1,0,0|1,0,0]=3 1350 B15R2.13587 CC(=O)Oc1coc2c(Br)cccc12 Amb27644596 [0,1,0,1,0,0|1,0,1]=4 1351 B15R2.13587 CC(=O)Oc1coc2c(C)cccc12 Amb27183081 [0,1,0,1,0,0|1,0,1]=4 1352 B15R2.13611 CC(=O)c1nccc2c(Cl)cccc12 Amb19104793 [0,1,0,1,0,0|2,0,0]=4 1353 B15R2.13611 CC(=O)c1nccc2c(F)cccc12 Amb19104786 [0,1,0,1,0,0|2,0,0]=4 1354 B15R2.59 CC(=O)N1CC=C(c2ccccn2)C1 Amb27663602 [0,1,0,1,0,0|2,0,0]=4 1355 B15R2.59 CC(=O)N1CC=C(c2ccncc2)C1 Amb24555086 [0,1,0,1,0,0|2,0,0]=4 1356 B15R2.59 CC(=O)N1CCC(c2ccccc2)=N1 Amb6397024 [0,1,0,1,0,0|1,0,1]=4 1357 B15R2.59 CC(=O)c1ccc(-c2ccccc2)o1 Amb17062555 [0,1,0,1,0,0|1,0,1]=4 1358 B15R2.59 CC(=O)c1ccc(-c2ccccc2)s1 Amb42508 [0,1,0,1,0,0|1,0,1]=4 1359 B15R2.59 CC(=O)c1nc(-c2ccccc2)cs1 Amb2592070 [0,1,0,1,0,0|2,0,0]=4 1360 B15R2.59 CC(=O)c1ncc(-c2ccccc2)o1 Amb24405922 [0,1,0,1,0,0|2,0,0]=4 1361 B15R2.59 CC(=O)n1ccc(-c2ccccc2)n1 Amb28041663 [0,1,0,1,0,0|1,0,1]=4 1362 B15R2.59 O=C(O)C1CC=C(c2ccccc2)C1 Amb25684304 [0,1,0,1,0,0|2,0,0]=4 1363 B15R2.297 Cc1nc(C(=O)c2ccccc2)co1 Amb28410354 [0,1,0,1,0,0|1,0,1]=4 1364 B15R2.297 NC(C1=NOC(=O)C1)c2ccccc2 Amb27495694 [0,1,0,1,0,0|1,0,1]=4 1365 B15R2.297 O=C1CC(C(=O)c2ccccc2)CN1 Amb27439611 [0,1,0,1,0,0|1,0,1]=4 1366 B15R2.297 O=C1CC(C(=O)c2ccccc2)CO1 Amb2730333 [0,1,0,1,0,0|0,0,1]=3 1367 B15R2.297 O=C1CN(C(=O)c2ccccc2)CN1 Amb28436741 [0,1,0,1,0,0|2,0,0]=4 1368 B15R2.297 O=C1NC(C(=O)c2ccccc2)CO1 Amb27831242 [0,1,0,1,0,0|1,0,1]=4 1369 B15R2.548 O=C1CCC(c2ccccc2)CCO1 Amb22337540 [0,1,0,1,0,0|0,0,2]=4 1370 B15R2.612 O=C1CC(OC(=O)c2ccccc2)C1 Amb21856453 [0,1,0,1,0,0|2,0,0]=4 1371 B15R2.612 O=C1CC(OC(=O)c2ccccc2)N1 Amb6357171 [0,1,0,1,0,0|2,0,0]=4 1372 B15R2.612 O=C1CC(OC(=S)c2ccccc2)N1 Amb28408846 [0,1,0,1,0,0|2,0,0]=4 1373 B15R2.612 O=C1CC(SC(=O)c2ccccc2)N1 Amb27488245 [0,1,0,1,0,0|2,0,0]=4 1374 B15R2.612 O=C1C[C@H](OC(=O)c2ccccc2)N1 Amb27234769 [0,1,0,1,0,0|2,0,0]=4 1375 B15R2.14628 CC(=O)N1CC=C(C)c2ccccc21 Amb25243398 [0,1,0,1,0,0|1,0,0]=3 1376 B15R2.14628 CC(=O)N1CCC(=O)c2ccccc21 Amb16971728 [0,1,0,1,0,0|1,0,1]=4 1377 B15R2.14628 CC(=O)c1ccc(Br)c2ccccc12 Amb22227537 [0,1,0,1,0,0|1,0,1]=4 1378 B15R2.14628 CC(=O)c1ccc(C)c2ccccc12 Amb10788866 [0,1,0,1,0,0|1,0,1]=4 1379 B15R2.14628 CC(=O)c1ccc(Cl)c2ccccc12 Amb17595460 [0,1,0,1,0,0|1,0,1]=4 1380 B15R2.14628 CC(=O)c1ccc(F)c2ccccc12 Amb6357604 [0,1,0,1,0,0|1,0,1]=4 1381 B15R2.14628 CC(=O)c1ccc(N)c2ccccc12 Amb8439048 [0,1,0,1,0,0|1,0,1]=4 1382 B15R2.14628 CC(=O)c1ccc(O)c2ccccc12 Amb17594809 [0,1,0,1,0,0|1,0,1]=4 1383 B15R2.14628 CC(=O)c1ncc(Br)c2ccccc12 Amb22497780 [0,1,0,1,0,0|2,0,0]=4 1384 B15R2.14628 CC(=O)c1ncc(C)c2ccccc12 Amb18353444 [0,1,0,1,0,0|2,0,0]=4 1385 B15R2.53147 CC(=O)Cn1cc(Br)c2ccccc21 Amb28137629 [0,1,0,1,0,0|2,0,0]=4 1386 B15R2.53147 CC(=O)Cn1cc(C)c2ccccc21 Amb18329562 [0,1,0,1,0,0|2,0,0]=4 1387 B15R2.53147 CC(=O)NC1OC(=O)c2ccccc21 Amb22442905 [0,1,0,1,0,0|2,0,0]=4 1388 B15R2.53147 CC(=O)OC1=CC(C)c2ccccc21 Amb17778892 [0,1,0,1,0,0|0,0,2]=4 1389 B15R2.53147 CC(=O)OC1C=C(C)c2ccccc21 Amb17778913 [0,1,0,1,0,0|0,0,0]=2 1390 B15R2.53147 CC(=O)OC1OC(=O)c2ccccc21 Amb17850786 [0,1,0,1,0,0|1,0,0]=3 1391 B15R2.53147 CC(=O)O[IH2]1OC(=O)c2ccccc21 Amb25733584 [0,1,0,1,0,0|2,0,0]=4 1392 B15R2.53147 CC(=O)Oc1cn(C)c2ccccc12 Amb6317764 [0,1,0,1,0,0|1,0,1]=4 1393 B15R2.29 O=C1CCC(=Nc2ccccc2)CC1 Amb27228881 [0,1,0,1,0,0|2,0,0]=4 1394 B15R2.29 O=C1NCC(Cc2ccccc2)CO1 Amb28346309 [0,1,0,1,0,0|0,0,2]=4 1395 B15R2.29 O=C1OCC(Nc2ccccc2)CO1 Amb28121065 [0,1,0,1,0,0|1,0,1]=4 1396 B15R2.33 N[C@H]1COC(=O)C[C@@H]1c2ccccc2 Amb27790730 [0,1,0,1,0,0|0,0,2]=4 1397 B15R2.33 O=C1CCC(=O)N(c2ccccc2)C1 Amb25170229 [0,1,0,1,0,0|2,0,0]=4 1398 B15R2.33 O=C1NC(c2ccccc2)C(=O)CO1 Amb27174293 [0,1,0,1,0,0|1,0,1]=4 1399 B15R2.988 CC(=O)N1CC(=O)Nc2ccccc21 Amb1670560 [0,1,0,1,0,0|2,0,0]=4 1400 B15R2.988 CC(=O)c1cc(F)cc2ccccc12 Amb25909436 [0,1,0,1,0,0|1,0,1]=4 1401 B15R2.993 CC(=O)CC1C(=O)Nc2ccccc21 Amb6740589 [0,1,0,1,0,0|2,0,0]=4 1402 B15R2.993 CC(=O)ON1C(=O)Nc2ccccc21 Amb28401568 [0,1,0,1,0,0|2,0,0]=4 1403 B15R2.993 CC(=O)O[C@@H]1c2ccccc2C[C@@H]1Cl Amb27849003 [0,1,0,1,0,0|0,0,2]=4 1404 B15R2.993 CC(=O)O[C@H]1c2ccccc2C[C@@H]1Cl Amb27224845 [0,1,0,1,0,0|0,0,2]=4 1405 B15R2.993 CC(=O)O[C@H]1c2ccccc2C[C@@H]1O Amb27197455 [0,1,0,1,0,0|0,0,2]=4 1406 B15R2.1244 O=C(O)C1CC(=Cc2ccccc2)C1 Amb28458570 [0,1,0,1,0,0|2,0,0]=4 1407 B15R2.28 Cc1ccc(C2CCOC(=O)C2)cc1 Amb28190717 [0,1,0,1,0,0|0,0,2]=4 1408 B15R2.28 Cc1ccc([C@H]2CCOC(=O)C2)cc1 Amb27957115 [0,1,0,1,0,0|0,0,2]=4 1409 B15R2.28 Nc1ccc(N2CCOC(=O)C2)cc1 Amb27203373 [0,1,0,1,0,0|1,0,1]=4 1410 B15R2.28 O=C1CC(c2ccc(Cl)cc2)CCO1 Amb25095898 [0,1,0,1,0,0|0,0,2]=4 1411 B15R2.28 O=C1CC(c2ccc(F)cc2)CCO1 Amb27259165 [0,1,0,1,0,0|0,0,2]=4 1412 B15R2.28 O=C1C[C@@H](c2ccc(Cl)cc2)CCO1 Amb27392823 [0,1,0,1,0,0|0,0,2]=4 1413 B15R2.98 Cc1ccc(NC2=CC(=O)OC2)cc1 Amb27585791 [0,1,0,1,0,0|1,0,1]=4 1414 B15R2.98 Nc1ccc(CC2=CC(=O)OC2)cc1 Amb27240034 [0,1,0,1,0,0|0,0,2]=4 1415 B15R2.98 O=C1C=C(Nc2ccc(F)cc2)CO1 Amb23562823 [0,1,0,1,0,0|1,0,1]=4 1416 B15R2.7268 CC(=O)c1cccc2ccc(Br)cc12 Amb27481141 [0,1,0,1,0,0|1,0,1]=4 1417 B15R2.7268 CC(=O)c1cccc2ccc(Cl)cc12 Amb17595461 [0,1,0,1,0,0|1,0,1]=4 1418 B15R2.7268 CC(=O)c1nccc2ccc(C)cc12 Amb19104783 [0,1,0,1,0,0|2,0,0]=4 1419 B15R2.7268 CC(=O)c1nccc2ccc(Cl)cc12 Amb19104792 [0,1,0,1,0,0|2,0,0]=4 1420 B15R2.7268 CC(=O)c1nccc2ccc(F)cc12 Amb19104787 [0,1,0,1,0,0|2,0,0]=4 1421 B15R2.9410 CC(=O)Oc1ccn2ccc(Br)cc12 Amb27461110 [0,1,0,1,0,0|1,0,1]=4 1422 B15R2.9410 CC(=O)Oc1coc2ccc(F)cc12 Amb28183576 [0,1,0,1,0,0|1,0,1]=4 1423 B15R2.9410 CC(=O)Oc1coc2ccc(I)cc12 Amb27396147 [0,1,0,1,0,0|1,0,1]=4 1424 B15R2.9410 CC(=O)Oc1csc2ccc(Br)cc12 Amb27791154 [0,1,0,1,0,0|1,0,1]=4 1425 B15R2.9410 CC(=O)Oc1csc2ccc(C)cc12 Amb27971129 [0,1,0,1,0,0|1,0,1]=4 1426 B15R2.4 COC(=O)Cn1ccc2ccccc21 Amb3703082 [0,1,0,1,0,0|2,0,0]=4 1427 B15R2.4 NCC(=O)NC1C=Cc2ccccc21 Amb26383963 [0,1,0,1,0,0|1,0,0]=3 1428 B15R2.4 NCC(=O)Nn1ccc2ccccc21 Amb27259484 [0,1,0,1,0,0|2,0,0]=4 1429 B15R2.4 NNC(=O)CC1C=Cc2ccccc21 Amb27407249 [0,1,0,1,0,0|2,0,0]=4 1430 B15R2.4 O=C(CCl)OC1COc2ccccc21 Amb27387949 [0,1,0,1,0,0|1,0,1]=4 1431 B15R2.32 O=C1OCC=C(c2ccccc2)C1O Amb28455649 [0,1,0,1,0,0|0,0,0]=2 1432 B15R2.597 C[C@@H]1C(=O)N[C@@H]1\C=C\c2ccccc2 Amb27614249 [0,1,0,1,0,0|1,0,0]=3 1433 B15R2.597 C[C@H]1C(=O)N[C@H]1\C=C\c2ccccc2 Amb28287731 [0,1,0,1,0,0|1,0,0]=3 1434 B15R2.597 NC1C(=O)NC1\C=C\c2ccccc2 Amb27849882 [0,1,0,1,0,0|1,0,0]=3 1435 B15R2.597 O=C1NC(\C=C\c2ccccc2)C1O Amb28408992 [0,1,0,1,0,0|1,0,0]=3 1436 B15R2.597 O=C1N[C@@H](\C=C\c2ccccc2)[C@H]1O Amb27841632 [0,1,0,1,0,0|1,0,0]=3 1437 B15R2.4083 CC1C(=O)OCC1Nc2ccccc2 Amb27813303 [0,1,0,1,0,0|1,0,1]=4 1438 B15R2.4083 CN1C(=O)OCC1Cc2ccccc2 Amb18559293 [0,1,0,1,0,0|0,0,2]=4 1439 B15R2.4083 CN1C(=O)ON=C1Cc2ccccc2 Amb28070482 [0,1,0,1,0,0|1,0,1]=4 1440 B15R2.4083 O=C1OC[C@@H](Cc2ccccc2)[C@H]1O Amb27184414 [0,1,0,1,0,0|0,0,2]=4 1441 B15R2.4083 O=C1OC\C(=N/c2ccccc2)C1Cl Amb25678608 [0,1,0,1,0,0|1,0,0]=3 1442 B15R2.27836 C(=C\c1ccccc1)/COC2CNC2 Amb32941292 [0,1,0,1,0,0|1,0,1]=4 1443 B15R2.79765 CCC(=O)c1cccc2ccccc12 Amb8471601 [0,1,0,1,0,0|1,0,1]=4 1444 B15R2.79765 CNC(=O)c1cccc2ccccc12 Amb13957947 [0,1,0,1,0,0|1,0,1]=4 1445 B15R2.79765 COC(=O)c1cccc2ccccc12 Amb33531516 [0,1,0,1,0,0|1,0,1]=4 1446 B15R2.79765 COC(=O)c1nccc2ccccc12 Amb19070706 [0,1,0,1,0,0|2,0,0]=4 1447 B15R2.79765 COC(=O)c1nccc2ccccc12 Amb30625742 [0,1,0,1,0,0|2,0,0]=4 1448 B15R2.79765 NCC(=O)c1cccc2ccccc12 Amb13952115 [0,1,0,1,0,0|1,0,1]=4 1449 B15R2.79765 NCC(=O)c1cccc2ccccc12 Amb17940589 [0,1,0,1,0,0|1,0,1]=4 1450 B15R2.79765 O=C(CBr)c1cccc2ccccc12 Amb508150 [0,1,0,1,0,0|1,0,1]=4 1451 B15R2.79765 O=C(CBr)c1nccc2ccccc12 Amb25834980 [0,1,0,1,0,0|2,0,0]=4 1452 B15R2.79765 O=C(CCl)c1cccc2ccccc12 Amb8471605 [0,1,0,1,0,0|1,0,1]=4 1453 B15R2.79765 O=C(CF)c1cccc2ccccc12 Amb27611881 [0,1,0,1,0,0|1,0,1]=4 1454 B15R2.79765 O=C(CO)c1cccc2ccccc12 Amb23556451 [0,1,0,1,0,0|1,0,1]=4 1455 B15R2.27 CC1=CC(c2ccccc2)=CC(=O)O1 Amb20247497 [0,1,0,1,0,0|0,0,2]=4 1456 B15R2.27 O=C1C=C(c2ccccc2)NC(=O)O1 Amb27827869 [0,1,0,1,0,0|1,0,1]=4 1457 B15R2.325 CC1=C\C(=C/c2ccccc2)C(=O)O1 Amb27185857 [0,1,0,1,0,0|1,0,1]=4 1458 B15R2.325 CC1=N\C(=C/c2ccccc2)C(=O)O1 Amb6317021 [0,1,0,1,0,0|1,0,1]=4 1459 B15R2.325 CC1=N\C(=C\c2ccccc2)C(=O)O1 Amb633088 [0,1,0,1,0,0|1,0,1]=4 1460 B15R2.325 O=C1C\C(=C/c2ccccc2)C(=O)O1 Amb17470692 [0,1,0,1,0,0|0,0,1]=3 1461 B15R2.325 O=C1C\C(=C/c2ccccn2)C(=O)O1 Amb17470699 [0,1,0,1,0,0|1,0,1]=4 1462 B15R2.325 O=C1C\C(=C/c2cccnc2)C(=O)O1 Amb17470700 [0,1,0,1,0,0|1,0,1]=4 1463 B15R2.325 O=C1C\C(=C/c2ccncc2)C(=O)O1 Amb17470701 [0,1,0,1,0,0|1,0,1]=4 1464 B15R2.325 O=C1C\C(=C\c2cccnc2)C(=O)O1 Amb27622459 [0,1,0,1,0,0|1,0,1]=4 1465 B15R2.1162 CC(=O)c1c(C)ccc2ccccc12 Amb17201962 [0,1,0,1,0,0|1,0,1]=4 1466 B15R2.1162 CC(=O)c1c(O)ccc2ccccc12 Amb2725635 [0,1,0,1,0,0|1,0,1]=4 1467 B15R2.1255 CC(=O)C(C)n1ccc2ccccc21 Amb27229788 [0,1,0,1,0,0|2,0,0]=4 1468 B15R3.2009 O=C1CC2Cc3ccccc3C2O1 Amb7090692 [0,0,0,2,0,0|0,0,2]=4 1469 B15R3.15114 O=C1Cc2ccc3ccccc3c21 Amb17778713 [0,0,0,2,0,0|1,0,1]=4 1470 B15R3.14759 O=C1Cc2cccc3cccc1c23 Amb2746631 [0,0,0,2,0,0|1,0,1]=4 1471 B11R1.4 O=CCC\C=C\c1ccco1 Amb24766684 [1,0,0,0,1,0|2,0,0]=4 1472 B11R1.91 C=C(C)CCc1ccccc1 Amb28199357 [0,0,0,0,2,0|1,0,1]=4 1473 B11R1.91 C=C(C)CNc1ccccc1 Amb4017508 [0,0,0,0,2,0|2,0,0]=4 1474 B11R1.91 C=C(C)COc1ccccc1 Amb10601706 [0,0,0,0,2,0|2,0,0]=4 1475 B11R1.91 C=C(C)CSc1ccccc1 Amb4013110 [0,0,0,0,2,0|2,0,0]=4 1476 B11R1.91 C=C(C)NCc1ccccc1 Amb27174576 [0,0,0,0,2,0|2,0,0]=4 1477 B11R1.91 C=C(C)OCc1ccccc1 Amb22731238 [0,0,0,0,2,0|1,0,0]=3 1478 B11R1.91 C=C(C)\C=C\c1ccccc1 Amb22546632 [0,0,0,0,2,0|1,0,0]=3 1479 B11R1.91 C=C(O)OCc1ccccc1 Amb26478129 [0,0,0,0,2,0|0,0,2]=4 1480 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,0,0,0,2,0|2,0,0]=4 1481 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,0,0,0,2,0|1,1,0]=4 1482 B11R1.91 CC(=O)C#Cc1ccccc1 Amb6336493 [0,0,0,0,2,0|0,0,2]=4 1483 B11R1.91 CC(=O)CCc1ccccc1 Amb4605983 [0,0,0,0,2,0|0,0,1]=3 1484 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,2,0|1,0,1]=4 1485 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,2,0|1,0,1]=4 1486 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,2,0|1,0,1]=4 1487 B11R1.91 CC(=O)CCc1ccncc1 Amb33329478 [0,0,0,0,2,0|1,0,1]=4 1488 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,2,0|1,0,0]=3 1489 B11R1.91 CC(=O)CNc1ccccn1 Amb26542003 [0,0,0,0,2,0|2,0,0]=4 1490 B11R1.91 CC(=O)COc1ccccc1 Amb8515312 [0,0,0,0,2,0|1,0,0]=3 1491 B11R1.91 CC(=O)COc1ccccn1 Amb26557634 [0,0,0,0,2,0|2,0,0]=4 1492 B11R1.91 CC(=O)CSc1ccccc1 Amb3836103 [0,0,0,0,2,0|1,0,0]=3 1493 B11R1.91 CC(=O)CSc1ccccn1 Amb9215975 [0,0,0,0,2,0|2,0,0]=4 1494 B11R1.91 CC(=O)CSc1cccnc1 Amb28351579 [0,0,0,0,2,0|2,0,0]=4 1495 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,2,0|1,0,0]=3 1496 B11R1.91 CC(=O)NCc1ccccn1 Amb3358089 [0,0,0,0,2,0|2,0,0]=4 1497 B11R1.91 CC(=O)NCc1ccccn1 Amb6892496 [0,0,0,0,2,0|2,0,0]=4 1498 B11R1.91 CC(=O)NCc1ccncc1 Amb2694533 [0,0,0,0,2,0|2,0,0]=4 1499 B11R1.91 CC(=O)NNc1ccccc1 Amb4081010 [0,0,0,0,2,0|2,0,0]=4 1500 B11R1.91 CC(=O)OC[n+]1ccccc1 Amb27259021 [0,0,0,0,2,0|1,0,0]=3 1501 B11R1.91 CC(=O)OCc1ccccc1 Amb8513061 [0,0,0,0,2,0|0,0,0]=2 1502 B11R1.91 CC(=O)OCc1ccccn1 Amb9780355 [0,0,0,0,2,0|1,0,0]=3 1503 B11R1.91 CC(=O)OCc1cccnc1 Amb8388631 [0,0,0,0,2,0|1,0,0]=3 1504 B11R1.91 CC(=O)OCc1ncccn1 Amb22756932 [0,0,0,0,2,0|2,0,0]=4 1505 B11R1.91 CC(=O)O[Hg]c1ccccc1 Amb8385173 [0,0,0,0,2,0|1,0,0]=3 1506 B11R1.91 CC(=O)SCc1ccccc1 Amb26888160 [0,0,0,0,2,0|0,1,0]=3 1507 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,2,0|0,0,0]=2 1508 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [0,0,0,0,2,0|0,0,0]=2 1509 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,2,0|1,0,0]=3 1510 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb32652097 [0,0,0,0,2,0|1,0,0]=3 1511 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [0,0,0,0,2,0|1,0,0]=3 1512 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb33359225 [0,0,0,0,2,0|1,0,0]=3 1513 B11R1.91 CC(=O)\C=C\c1ccncn1 Amb33359235 [0,0,0,0,2,0|2,0,0]=4 1514 B11R1.91 CC(=O)\C=C\c1cnccn1 Amb35601036 [0,0,0,0,2,0|2,0,0]=4 1515 B11R1.91 CC(=O)\C=C\c1cncnc1 Amb32876838 [0,0,0,0,2,0|2,0,0]=4 1516 B11R1.91 CC(=O)\C=C\c1ncccn1 Amb26488880 [0,0,0,0,2,0|2,0,0]=4 1517 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,2,0|2,0,0]=4 1518 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,0,0,0,2,0|1,1,0]=4 1519 B11R1.91 CC(Br)\C=C\c1ccccc1 Amb27401147 [0,0,0,0,2,0|1,0,1]=4 1520 B11R1.91 CC(C)=CCc1ccccc1 Amb2720924 [0,0,0,0,2,0|1,0,1]=4 1521 B11R1.91 CC(C)=COc1ccccc1 Amb28182600 [0,0,0,0,2,0|2,0,0]=4 1522 B11R1.91 CC(C)=CSc1ccccc1 Amb27767952 [0,0,0,0,2,0|2,0,0]=4 1523 B11R1.91 CC(C)=NCc1ccccc1 Amb10568469 [0,0,0,0,2,0|2,0,0]=4 1524 B11R1.91 CC(C)OCc1ccccc1 Amb3988003 [0,0,0,0,2,0|1,0,1]=4 1525 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [0,0,0,0,2,0|1,0,1]=4 1526 B11R1.91 CC(C)\C=C\c1ccccc1 Amb33620440 [0,0,0,0,2,0|1,0,1]=4 1527 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [0,0,0,0,2,0|1,0,1]=4 1528 B11R1.91 CC(O)\C=C\c1ccccc1 Amb17593695 [0,0,0,0,2,0|0,0,2]=4 1529 B11R1.91 CS(=O)\N=C\c1ccccc1 Amb35681663 [0,0,0,0,2,0|2,0,0]=4 1530 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb33083236 [0,0,0,0,2,0|1,0,1]=4 1531 B11R1.91 C[C@@H](O)\C=C\c1ccccc1 Amb32954507 [0,0,0,0,2,0|0,0,2]=4 1532 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb32954166 [0,0,0,0,2,0|1,0,1]=4 1533 B11R1.91 C[C@H](O)\C=C\c1ccccc1 Amb27405101 [0,0,0,0,2,0|0,0,2]=4 1534 B11R1.91 C[PH](=O)OCc1ccccc1 Amb8391293 [0,0,0,0,2,0|1,0,0]=3 1535 B11R1.91 N=C(N)OCc1ccccc1 Amb6773970 [0,0,0,0,2,0|2,0,0]=4 1536 B11R1.91 N=C(N)\C=C\c1ccccc1 Amb22756994 [0,0,0,0,2,0|2,0,0]=4 1537 B11R1.91 NC(=O)CCc1ccccc1 Amb2708677 [0,0,0,0,2,0|1,0,1]=4 1538 B11R1.91 NC(=O)CNc1ccccc1 Amb503275 [0,0,0,0,2,0|2,0,0]=4 1539 B11R1.91 NC(=O)COc1ccccc1 Amb6358162 [0,0,0,0,2,0|2,0,0]=4 1540 B11R1.91 NC(=O)CSc1ccccc1 Amb3686107 [0,0,0,0,2,0|2,0,0]=4 1541 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,0,0,0,2,0|2,0,0]=4 1542 B11R1.91 NC(=O)OCc1ccccc1 Amb4404204 [0,0,0,0,2,0|1,0,0]=3 1543 B11R1.91 NC(=O)OCc1cccnc1 Amb26464124 [0,0,0,0,2,0|2,0,0]=4 1544 B11R1.91 NC(=O)SCc1ccccc1 Amb28342215 [0,0,0,0,2,0|1,1,0]=4 1545 B11R1.91 NC(=O)\C=C/c1ccccc1 Amb4420621 [0,0,0,0,2,0|1,0,0]=3 1546 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [0,0,0,0,2,0|2,0,0]=4 1547 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb33719420 [0,0,0,0,2,0|1,0,0]=3 1548 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb8513084 [0,0,0,0,2,0|1,0,0]=3 1549 B11R1.91 NC(=O)\C=C\c1ccccn1 Amb25887084 [0,0,0,0,2,0|2,0,0]=4 1550 B11R1.91 NC(=O)\C=C\c1cccnc1 Amb33854872 [0,0,0,0,2,0|2,0,0]=4 1551 B11R1.91 NC(=O)\C=C\c1ccncc1 Amb26859260 [0,0,0,0,2,0|2,0,0]=4 1552 B11R1.91 NC(=O)\N=C\c1ccccc1 Amb28364091 [0,0,0,0,2,0|2,0,0]=4 1553 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [0,0,0,0,2,0|1,1,0]=4 1554 B11R1.91 O=C(Cl)CCc1ccccc1 Amb2725506 [0,0,0,0,2,0|1,0,1]=4 1555 B11R1.91 O=C(Cl)COc1ccccc1 Amb844296 [0,0,0,0,2,0|2,0,0]=4 1556 B11R1.91 O=C(Cl)CSc1ccccc1 Amb3939230 [0,0,0,0,2,0|2,0,0]=4 1557 B11R1.91 O=C(Cl)OCc1ccccc1 Amb6296595 [0,0,0,0,2,0|1,0,0]=3 1558 B11R1.91 O=C(Cl)OCc1ccccn1 Amb33297000 [0,0,0,0,2,0|2,0,0]=4 1559 B11R1.91 O=C(Cl)OCc1cccnc1 Amb25852784 [0,0,0,0,2,0|2,0,0]=4 1560 B11R1.91 O=C(Cl)OCc1cccnc1 Amb33465543 [0,0,0,0,2,0|2,0,0]=4 1561 B11R1.91 O=C(Cl)OCc1ccncc1 Amb24559531 [0,0,0,0,2,0|2,0,0]=4 1562 B11R1.91 O=C(Cl)\C=C\c1ccccc1 Amb2792900 [0,0,0,0,2,0|1,0,0]=3 1563 B11R1.91 O=C(Cl)\C=C\c1cccnc1 Amb6307270 [0,0,0,0,2,0|2,0,0]=4 1564 B11R1.91 O=C(F)OCc1ccccc1 Amb27879062 [0,0,0,0,2,0|1,0,0]=3 1565 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [0,0,0,0,2,0|1,0,1]=4 1566 B11R1.91 O=C(O)CNc1ccccc1 Amb840513 [0,0,0,0,2,0|2,0,0]=4 1567 B11R1.91 O=C(O)COc1ccccc1 Amb1213413 [0,0,0,0,2,0|2,0,0]=4 1568 B11R1.91 O=C(O)COc1ccccc1 Amb22274444 [0,0,0,0,2,0|2,0,0]=4 1569 B11R1.91 O=C(O)CSc1ccccc1 Amb1038999 [0,0,0,0,2,0|2,0,0]=4 1570 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [0,0,0,0,2,0|1,0,0]=3 1571 B11R1.91 O=C(O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,2,0|2,0,0]=4 1572 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [0,0,0,0,2,0|2,0,0]=4 1573 B11R1.91 O=C(O)\C=C/c1ccncc1 Amb20622011 [0,0,0,0,2,0|2,0,0]=4 1574 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [0,0,0,0,2,0|1,0,0]=3 1575 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [0,0,0,0,2,0|1,0,0]=3 1576 B11R1.91 O=C(O)\C=C\c1ccccn1 Amb2690432 [0,0,0,0,2,0|2,0,0]=4 1577 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [0,0,0,0,2,0|2,0,0]=4 1578 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [0,0,0,0,2,0|2,0,0]=4 1579 B11R1.91 O=C(O)\C=C\c1ccncc1 Amb1107607 [0,0,0,0,2,0|2,0,0]=4 1580 B11R1.91 O=C([O-])CNc1ccccc1 Amb21520409 [0,0,0,0,2,0|2,0,0]=4 1581 B11R1.91 O=C([O-])CNc1ccccc1 Amb33512953 [0,0,0,0,2,0|2,0,0]=4 1582 B11R1.91 O=C([O-])COc1ccccc1 Amb6366707 [0,0,0,0,2,0|2,0,0]=4 1583 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb33513073 [0,0,0,0,2,0|1,0,0]=3 1584 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb6383246 [0,0,0,0,2,0|1,0,0]=3 1585 B11R1.91 O=C([O-])\C=C\c1cccnc1 Amb33512942 [0,0,0,0,2,0|2,0,0]=4 1586 B11R1.91 O=S(O)\C=C\c1ccccc1 Amb32753683 [0,0,0,0,2,0|2,0,0]=4 1587 B11R1.91 O=S([O-])\C=C\c1ccccc1 Amb26016414 [0,0,0,0,2,0|2,0,0]=4 1588 B11R1.91 O=[N+]([O-])\C=C/c1ccccc1 Amb4066298 [0,0,0,0,2,0|2,0,0]=4 1589 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb33719275 [0,0,0,0,2,0|2,0,0]=4 1590 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb8396046 [0,0,0,0,2,0|2,0,0]=4 1591 B11R1.172 CC(=O)N\C=C\c1ccco1 Amb28143852 [0,0,0,0,2,0|2,0,0]=4 1592 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [0,0,0,0,2,0|1,0,1]=4 1593 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [0,0,0,0,2,0|1,0,1]=4 1594 B11R1.172 CC(=O)OCSc1cccs1 Amb27270358 [0,0,0,0,2,0|2,0,0]=4 1595 B11R1.172 O=C(O)C\C=C\c1cccs1 Amb18563846 [0,0,0,0,2,0|2,0,0]=4 1596 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,0,0,0,2|0,0,2]=4 1597 B15R1.504 O=C(O)CCNC\C=C\c1ccccc1 Amb9326417 [0,0,0,0,0,2|2,0,0]=4