0 B10R1.17 BrCC#Cc1ccccc1 Amb26032687 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 BrCCCc1ccccc1 Amb2721516 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 BrCCCc1ccccn1 Amb27866171 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 BrCCCc1cccnc1 Amb1102301 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 BrCCCc1cccnc1 Amb17610084 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 BrCCCc1ccncc1 Amb32751195 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 BrCCCc1ccncn1 Amb33009087 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 BrCCCc1cnccn1 Amb26516264 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 BrCCCc1cncnc1 Amb25092294 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 BrCCCc1ncccn1 Amb33007113 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 BrCCOc1ccccc1 Amb1152333 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 BrCCOc1cccnc1 Amb33109804 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 BrCCOc1cccnc1 Amb9783592 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 BrCCSc1ccccc1 Amb6255409 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 BrCCSc1ccncc1 Amb28206814 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 BrCCSc1ccncc1 Amb32670844 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 BrCCSc1ccncn1 Amb27235652 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 BrCOCc1ccccc1 Amb27410470 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.17 BrC\C=C\c1ccccc1 Amb8513086 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.17 BrC\C=C\c1ccccn1 Amb28365946 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 Br[Mg]CCc1ccccc1 Amb22000585 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 Br\C=C\Cc1ccccc1 Amb33134791 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.17 Br\C=C\Oc1ccccc1 Amb28145099 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 Br\C=C\Sc1ccccc1 Amb26993510 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.17 C#CC#Cc1ccccc1 Amb24585690 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.17 C#CCCc1ccccc1 Amb6336492 [0,0,0,0,0,0|1,0,1]=2 26 B10R1.17 C#CCCc1ccccn1 Amb24571654 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.17 C#CCCc1cccnc1 Amb24085226 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.17 C#CCCc1ccncc1 Amb24091331 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.17 C#CCCc1ccncn1 Amb33267953 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.17 C#CCCc1cnccn1 Amb33429637 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.17 C#CCCc1cncnc1 Amb32876141 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.17 C#CCCc1ncccn1 Amb33269919 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.17 C#CCNc1ccccn1 Amb18959521 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.17 C#CCNc1ccncc1 Amb18284709 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.17 C#CCOc1ccccc1 Amb839455 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.17 C#CCOc1cccnc1 Amb22586592 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.17 C#CCOc1ccncc1 Amb24117045 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.17 C#CCSc1ccccc1 Amb3836098 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.17 C#CCSc1ccncc1 Amb27809865 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.17 C#C\C=C\c1ccccc1 Amb33082101 [0,0,0,0,0,0|1,0,3]=4 41 B10R1.17 C=C=COc1ccccc1 Amb17673264 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.17 C=CC#Cc1ccccc1 Amb25696607 [0,0,0,0,0,0|1,0,3]=4 43 B10R1.17 C=CCCc1ccccc1 Amb2721241 [0,0,0,0,0,0|1,0,1]=2 44 B10R1.17 C=CCCc1ccccn1 Amb25337662 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.17 C=CCCc1cccnc1 Amb24477186 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.17 C=CCCc1cnccn1 Amb28049385 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.17 C=CCCc1cncnc1 Amb35715623 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 C=CCNc1ccccc1 Amb2720315 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.17 C=CCNc1cccnc1 Amb8394248 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.17 C=CCOc1ccccc1 Amb2842273 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.17 C=CCOc1cccnc1 Amb26643102 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.17 C=CCOc1ccncc1 Amb25234559 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.17 C=CCSc1ccccc1 Amb3836099 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.17 C=CC[Se]c1ccccn1 Amb24101157 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.17 C=COCc1ccccc1 Amb17940722 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.17 C=C\C=C\c1ccccc1 Amb17938988 [0,0,0,0,0,0|1,0,3]=4 57 B10R1.17 CC=C=Cc1ccccc1 Amb27435633 [0,0,0,0,0,0|1,0,3]=4 58 B10R1.17 CCCC[n+]1ccccc1 Amb8393211 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.17 CCCC[n+]1ccccc1 Amb8516223 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.17 CCCC[n+]1ccccc1 Amb8516227 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.17 CCCC[n+]1ccccc1 Amb8516263 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.17 CCCCc1ccccc1 Amb6608912 [0,0,0,0,0,0|1,0,0]=1 63 B10R1.17 CCCCc1ccccn1 Amb8395993 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.17 CCCCc1cccnc1 Amb4037068 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.17 CCCCc1cccnn1 Amb22235740 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.17 CCCCc1ccncc1 Amb10555008 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.17 CCCNc1ccccc1 Amb534130 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.17 CCCNc1cccnc1 Amb6686632 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.17 CCCNc1ccncc1 Amb6614447 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.17 CCCNc1ccnnc1 Amb23559651 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.17 CCCNc1cncnc1 Amb28074211 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.17 CCCOc1ccccc1 Amb2842271 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.17 CCCOc1cccnn1 Amb24062248 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.17 CCCOc1cnccn1 Amb24061285 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.17 CCCSc1ccccc1 Amb4014460 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.17 CCCSc1ccccn1 Amb24733306 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.17 CCCSc1ccncc1 Amb28126322 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.17 CCCSc1ncccn1 Amb8334477 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.17 CCNCc1ccccc1 Amb3699539 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.17 CCNCc1ccccn1 Amb2592098 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.17 CCNCc1cccnc1 Amb21972163 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 CCNCc1cccnc1 Amb837759 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.17 CCNCc1cccnn1 Amb24477246 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.17 CCNCc1ccncc1 Amb1214646 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.17 CCNCc1ccncn1 Amb18300830 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.17 CCNCc1cncnc1 Amb18300013 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.17 CCNCc1ncccn1 Amb18300295 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.17 CCOCc1ccccc1 Amb9787555 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.17 CCOCc1ccccn1 Amb27267027 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 CCOCc1ccncc1 Amb27255285 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.17 CCOSc1ccccc1 Amb28049338 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.17 CCSCc1ccccc1 Amb9787636 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.17 CCSCc1ccccn1 Amb28124640 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.17 CCSCc1cccnc1 Amb26909883 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.17 CCSSc1ccccc1 Amb28057163 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.17 CC\C=C/c1cccnc1 Amb24602371 [0,0,0,0,0,0|2,0,2]=4 97 B10R1.17 CC\C=C\c1ccccc1 Amb17673826 [0,0,0,0,0,0|1,0,2]=3 98 B10R1.17 CC\C=C\c1cccnc1 Amb28076152 [0,0,0,0,0,0|2,0,2]=4 99 B10R1.17 CC\C=N/c1cccnc1 Amb28250076 [0,0,0,0,0,0|3,0,1]=4 100 B10R1.17 CC\N=C\c1ccccc1 Amb10558476 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.17 CC\N=C\c1cccnc1 Amb26548619 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.17 CN=C=Cc1ccccc1 Amb27423885 [0,0,0,0,0,0|2,0,2]=4 103 B10R1.17 CNC#Cc1ccccc1 Amb28422275 [0,0,0,0,0,0|2,0,2]=4 104 B10R1.17 CNCCc1ccccc1 Amb1132990 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.17 CNCCc1ccccc1 Amb33545919 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.17 CNCCc1ccccn1 Amb1651624 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.17 CNCCc1ccccn1 Amb22167479 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.17 CNCCc1ccccn1 Amb6741463 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.17 CNCCc1cccnc1 Amb10068754 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.17 CNCCc1cccnc1 Amb10576410 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.17 CNCCc1ccncc1 Amb10071184 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.17 CNCCc1ccncc1 Amb19958269 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.17 CNCCc1ccncc1 Amb2592519 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.17 CNCCc1ccncn1 Amb8010524 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.17 CNCCc1cnccn1 Amb22059364 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.17 CNCCc1cncnc1 Amb8010527 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.17 CNCCc1ncccn1 Amb31156561 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.17 CNCCc1ncccn1 Amb8010522 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.17 CNNCc1ccccc1 Amb26859422 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.17 CNNCc1ccccc1 Amb33328543 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.17 CNNCc1ccccn1 Amb26421896 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.17 CNNCc1cccnc1 Amb24558769 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.17 CNOCc1ccccc1 Amb22059601 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.17 CNOCc1ccccc1 Amb32412803 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.17 CN\N=C\c1ccccc1 Amb17867553 [0,0,0,0,0,0|3,0,1]=4 126 B10R1.17 CN\N=N\c1ccccc1 Amb25720206 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.17 COCC[n+]1ccccc1 Amb28125435 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.17 COCCc1ccccc1 Amb4020014 [0,0,0,0,0,0|2,0,0]=2 129 B10R1.17 COCCc1ccccn1 Amb4034583 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.17 COCCc1ccncc1 Amb26565974 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.17 COCOc1ccccc1 Amb2608594 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.17 COCOc1ccccn1 Amb27757113 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.17 CONCc1ccccc1 Amb26432339 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [0,0,0,0,0,0|2,0,2]=4 135 B10R1.17 CO\C=N\c1ccccc1 Amb6297410 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.17 CSCCc1ccccc1 Amb26586093 [0,0,0,0,0,0|2,0,0]=2 137 B10R1.17 CSCCc1ccccn1 Amb24552366 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.17 CSCNc1ccccc1 Amb25992690 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.17 CSCNc1ccccn1 Amb27972069 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.17 CSCOc1ccccc1 Amb22231357 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.17 CSCOc1ccccn1 Amb27256230 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.17 CS\C=C\c1ccccc1 Amb27654244 [0,0,0,0,0,0|2,0,2]=4 143 B10R1.17 C\C=C/Cc1cccnc1 Amb27470932 [0,0,0,0,0,0|2,0,2]=4 144 B10R1.17 C\C=C\Cc1ccccc1 Amb4035140 [0,0,0,0,0,0|1,0,2]=3 145 B10R1.17 C\C=C\Sc1ccccc1 Amb24665698 [0,0,0,0,0,0|2,0,2]=4 146 B10R1.17 C\C=N\Nc1ccccc1 Amb27788878 [0,0,0,0,0,0|3,0,1]=4 147 B10R1.17 ClCC#Cc1ccccc1 Amb17772264 [0,0,0,0,0,0|1,0,2]=3 148 B10R1.17 ClCC#Cc1ccccn1 Amb28364721 [0,0,0,0,0,0|2,0,2]=4 149 B10R1.17 ClCCCc1ccccc1 Amb3941487 [0,0,0,0,0,0|1,0,0]=1 150 B10R1.17 ClCCCc1ccccn1 Amb32751196 [0,0,0,0,0,0|2,0,0]=2 151 B10R1.17 ClCCCc1cccnc1 Amb17477795 [0,0,0,0,0,0|2,0,0]=2 152 B10R1.17 ClCCCc1cccnc1 Amb32665795 [0,0,0,0,0,0|2,0,0]=2 153 B10R1.17 ClCCCc1ccncc1 Amb17477794 [0,0,0,0,0,0|2,0,0]=2 154 B10R1.17 ClCCCc1cnccn1 Amb27945611 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.17 ClCCNc1ccccc1 Amb17334388 [0,0,0,0,0,0|2,0,0]=2 156 B10R1.17 ClCCNc1ccncc1 Amb27484998 [0,0,0,0,0,0|3,0,0]=3 157 B10R1.17 ClCCNc1ccncn1 Amb27218714 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.17 ClCCNc1ncccn1 Amb28291384 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.17 ClCCOc1ccccc1 Amb3940573 [0,0,0,0,0,0|2,0,0]=2 160 B10R1.17 ClCCOc1cccnc1 Amb19878080 [0,0,0,0,0,0|3,0,0]=3 161 B10R1.17 ClCCOc1ccncc1 Amb28384309 [0,0,0,0,0,0|3,0,0]=3 162 B10R1.17 ClCCSc1ccccc1 Amb2685910 [0,0,0,0,0,0|2,0,0]=2 163 B10R1.17 ClCCSc1ccccn1 Amb9305061 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.17 ClCOCc1ccccc1 Amb2684626 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.17 ClCOCc1ccccn1 Amb27834619 [0,0,0,0,0,0|3,0,0]=3 166 B10R1.17 ClCSCc1ccccc1 Amb16231183 [0,0,0,0,0,0|2,0,0]=2 167 B10R1.17 ClCSSc1ccccc1 Amb27865461 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.17 ClC\C=C\c1ccccc1 Amb6608898 [0,0,0,0,0,0|1,0,2]=3 169 B10R1.17 ClC\C=C\c1cccnc1 Amb26369517 [0,0,0,0,0,0|2,0,2]=4 170 B10R1.17 ClC\C=C\c1ccncc1 Amb27392424 [0,0,0,0,0,0|2,0,2]=4 171 B10R1.17 Cl\C=C/Oc1ccccc1 Amb27865618 [0,0,0,0,0,0|2,0,2]=4 172 B10R1.17 Cl\C=C\C[n+]1ccccc1 Amb2613089 [0,0,0,0,0,0|2,0,2]=4 173 B10R1.17 FCC#Cc1ccccc1 Amb24586400 [0,0,0,0,0,0|1,0,2]=3 174 B10R1.17 FCCNc1ccccc1 Amb26349791 [0,0,0,0,0,0|2,0,0]=2 175 B10R1.17 FCCNc1cccnn1 Amb27760749 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.17 FCCNc1cnccn1 Amb27250878 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.17 FCCSc1ccccn1 Amb28125479 [0,0,0,0,0,0|3,0,0]=3 178 B10R1.17 FCCSc1cccnn1 Amb28315982 [0,0,0,0,0,0|4,0,0]=4 179 B10R1.17 FCCSc1ccncc1 Amb27971685 [0,0,0,0,0,0|3,0,0]=3 180 B10R1.17 FCCSc1cnccn1 Amb27448378 [0,0,0,0,0,0|4,0,0]=4 181 B10R1.17 FC\C=C\c1ccccc1 Amb27449580 [0,0,0,0,0,0|1,0,2]=3 182 B10R1.17 ICC#Cc1ccccc1 Amb27262163 [0,0,0,0,0,0|1,0,2]=3 183 B10R1.17 ICCCc1ccccc1 Amb10605506 [0,0,0,0,0,0|1,0,0]=1 184 B10R1.17 ICCOc1ccccc1 Amb10608588 [0,0,0,0,0,0|2,0,0]=2 185 B10R1.17 ICCSc1ccccc1 Amb27458209 [0,0,0,0,0,0|2,0,0]=2 186 B10R1.17 ICOCc1ccccc1 Amb28348666 [0,0,0,0,0,0|2,0,0]=2 187 B10R1.17 N#CC#Cc1ccccc1 Amb17593333 [0,0,0,0,0,0|1,0,3]=4 188 B10R1.17 N#CCC[n+]1ccccc1 Amb28458262 [0,0,0,0,0,0|2,0,1]=3 189 B10R1.17 N#CCCc1ccccc1 Amb33551192 [0,0,0,0,0,0|1,0,1]=2 190 B10R1.17 N#CCCc1ccccn1 Amb1102488 [0,0,0,0,0,0|2,0,1]=3 191 B10R1.17 N#CCCc1cccnc1 Amb10605345 [0,0,0,0,0,0|2,0,1]=3 192 B10R1.17 N#CCCc1ccncc1 Amb2694189 [0,0,0,0,0,0|2,0,1]=3 193 B10R1.17 N#CCCc1ccncn1 Amb33269057 [0,0,0,0,0,0|3,0,1]=4 194 B10R1.17 N#CCCc1cnccn1 Amb25830701 [0,0,0,0,0,0|3,0,1]=4 195 B10R1.17 N#CCCc1cncnc1 Amb33223846 [0,0,0,0,0,0|3,0,1]=4 196 B10R1.17 N#CCCc1ncccn1 Amb27817182 [0,0,0,0,0,0|3,0,1]=4 197 B10R1.17 N#CCNc1ccccc1 Amb1651088 [0,0,0,0,0,0|2,0,1]=3 198 B10R1.17 N#CCNc1ccccn1 Amb22052191 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.17 N#CCNc1ccccn1 Amb32665267 [0,0,0,0,0,0|3,0,1]=4 200 B10R1.17 N#CCOc1ccccc1 Amb2725206 [0,0,0,0,0,0|2,0,1]=3 201 B10R1.17 N#CCOc1ccccn1 Amb2459771 [0,0,0,0,0,0|3,0,1]=4 202 B10R1.17 N#CCOc1cccnc1 Amb17399827 [0,0,0,0,0,0|3,0,1]=4 203 B10R1.17 N#CCSc1ccccc1 Amb2690327 [0,0,0,0,0,0|2,0,1]=3 204 B10R1.17 N#CNCc1ccccc1 Amb27257452 [0,0,0,0,0,0|2,0,1]=3 205 B10R1.17 N#CNCc1cccnc1 Amb16186969 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.17 N#CNCc1ccncc1 Amb28428551 [0,0,0,0,0,0|3,0,1]=4 207 B10R1.17 N#CSCc1ccccc1 Amb2611897 [0,0,0,0,0,0|2,0,1]=3 208 B10R1.17 N#CSCc1ccncc1 Amb24596154 [0,0,0,0,0,0|3,0,1]=4 209 B10R1.17 N#C\C=C\c1ccccc1 Amb1678044 [0,0,0,0,0,0|1,0,3]=4 210 B10R1.17 N=CC#Cc1ccccc1 Amb27848552 [0,0,0,0,0,0|1,0,3]=4 211 B10R1.17 NCC#Cc1ccccc1 Amb1239477 [0,0,0,0,0,0|1,0,2]=3 212 B10R1.17 NCC#Cc1ccccc1 Amb2371766 [0,0,0,0,0,0|1,0,2]=3 213 B10R1.17 NCC#Cc1ccccn1 Amb20668332 [0,0,0,0,0,0|2,0,2]=4 214 B10R1.17 NCC#Cc1ccccn1 Amb28245849 [0,0,0,0,0,0|2,0,2]=4 215 B10R1.17 NCC#Cc1cccnc1 Amb18281095 [0,0,0,0,0,0|2,0,2]=4 216 B10R1.17 NCC#Cc1cccnc1 Amb33534318 [0,0,0,0,0,0|2,0,2]=4 217 B10R1.17 NCCCc1ccccc1 Amb844788 [0,0,0,0,0,0|1,0,0]=1 218 B10R1.17 NCCCc1ccccn1 Amb1088884 [0,0,0,0,0,0|2,0,0]=2 219 B10R1.17 NCCCc1ccccn1 Amb21954278 [0,0,0,0,0,0|2,0,0]=2 220 B10R1.17 NCCCc1cccnc1 Amb18363942 [0,0,0,0,0,0|2,0,0]=2 221 B10R1.17 NCCCc1cccnc1 Amb31188323 [0,0,0,0,0,0|2,0,0]=2 222 B10R1.17 NCCCc1cccnc1 Amb5735475 [0,0,0,0,0,0|2,0,0]=2 223 B10R1.17 NCCCc1ccncc1 Amb22490382 [0,0,0,0,0,0|2,0,0]=2 224 B10R1.17 NCCCc1ccncc1 Amb24099592 [0,0,0,0,0,0|2,0,0]=2 225 B10R1.17 NCCCc1ccncc1 Amb33535434 [0,0,0,0,0,0|2,0,0]=2 226 B10R1.17 NCCCc1ccncn1 Amb18981848 [0,0,0,0,0,0|3,0,0]=3 227 B10R1.17 NCCCc1ccncn1 Amb33527786 [0,0,0,0,0,0|3,0,0]=3 228 B10R1.17 NCCCc1ccnnc1 Amb23559549 [0,0,0,0,0,0|3,0,0]=3 229 B10R1.17 NCCCc1ccnnc1 Amb32826045 [0,0,0,0,0,0|3,0,0]=3 230 B10R1.17 NCCCc1cnccn1 Amb18832322 [0,0,0,0,0,0|3,0,0]=3 231 B10R1.17 NCCCc1cnccn1 Amb33550238 [0,0,0,0,0,0|3,0,0]=3 232 B10R1.17 NCCCc1cnccn1 Amb35788851 [0,0,0,0,0,0|3,0,0]=3 233 B10R1.17 NCCCc1cncnc1 Amb22751643 [0,0,0,0,0,0|3,0,0]=3 234 B10R1.17 NCCCc1cncnc1 Amb32661023 [0,0,0,0,0,0|3,0,0]=3 235 B10R1.17 NCCCc1cncnc1 Amb32664238 [0,0,0,0,0,0|3,0,0]=3 236 B10R1.17 NCCCc1ncccn1 Amb18064230 [0,0,0,0,0,0|3,0,0]=3 237 B10R1.17 NCCCc1nccnn1 Amb18203026 [0,0,0,0,0,0|4,0,0]=4 238 B10R1.17 NCCCc1ncncn1 Amb18224126 [0,0,0,0,0,0|4,0,0]=4 239 B10R1.17 NCCNc1ccccc1 Amb23412206 [0,0,0,0,0,0|2,0,0]=2 240 B10R1.17 NCCNc1ccccc1 Amb2720312 [0,0,0,0,0,0|2,0,0]=2 241 B10R1.17 NCCNc1ccccn1 Amb10608961 [0,0,0,0,0,0|3,0,0]=3 242 B10R1.17 NCCNc1ccccn1 Amb1154294 [0,0,0,0,0,0|3,0,0]=3 243 B10R1.17 NCCNc1cccnc1 Amb10607840 [0,0,0,0,0,0|3,0,0]=3 244 B10R1.17 NCCNc1cccnn1 Amb18298689 [0,0,0,0,0,0|4,0,0]=4 245 B10R1.17 NCCNc1cccnn1 Amb33042830 [0,0,0,0,0,0|4,0,0]=4 246 B10R1.17 NCCNc1ccncc1 Amb19887545 [0,0,0,0,0,0|3,0,0]=3 247 B10R1.17 NCCNc1ccncc1 Amb6279124 [0,0,0,0,0,0|3,0,0]=3 248 B10R1.17 NCCNc1ccncn1 Amb18973879 [0,0,0,0,0,0|4,0,0]=4 249 B10R1.17 NCCNc1cnccn1 Amb33526497 [0,0,0,0,0,0|4,0,0]=4 250 B10R1.17 NCCNc1cnccn1 Amb6892799 [0,0,0,0,0,0|4,0,0]=4 251 B10R1.17 NCCNc1ncccn1 Amb33526463 [0,0,0,0,0,0|4,0,0]=4 252 B10R1.17 NCCNc1ncccn1 Amb33529208 [0,0,0,0,0,0|4,0,0]=4 253 B10R1.17 NCCNc1ncccn1 Amb33545764 [0,0,0,0,0,0|4,0,0]=4 254 B10R1.17 NCCOc1ccccc1 Amb1214559 [0,0,0,0,0,0|2,0,0]=2 255 B10R1.17 NCCOc1ccccc1 Amb2099529 [0,0,0,0,0,0|2,0,0]=2 256 B10R1.17 NCCOc1ccccn1 Amb2237065 [0,0,0,0,0,0|3,0,0]=3 257 B10R1.17 NCCOc1cccnc1 Amb9392843 [0,0,0,0,0,0|3,0,0]=3 258 B10R1.17 NCCOc1cccnn1 Amb18298723 [0,0,0,0,0,0|4,0,0]=4 259 B10R1.17 NCCOc1ccncc1 Amb18988858 [0,0,0,0,0,0|3,0,0]=3 260 B10R1.17 NCCOc1ccncc1 Amb22728098 [0,0,0,0,0,0|3,0,0]=3 261 B10R1.17 NCCOc1ccncn1 Amb18292252 [0,0,0,0,0,0|4,0,0]=4 262 B10R1.17 NCCOc1cnccn1 Amb18296473 [0,0,0,0,0,0|4,0,0]=4 263 B10R1.17 NCCOc1cncnc1 Amb26965029 [0,0,0,0,0,0|4,0,0]=4 264 B10R1.17 NCCOc1ncccn1 Amb18292247 [0,0,0,0,0,0|4,0,0]=4 265 B10R1.17 NCCSc1ccccc1 Amb6374305 [0,0,0,0,0,0|2,0,0]=2 266 B10R1.17 NCCSc1ccccc1 Amb6827055 [0,0,0,0,0,0|2,0,0]=2 267 B10R1.17 NCCSc1ccccn1 Amb13949032 [0,0,0,0,0,0|3,0,0]=3 268 B10R1.17 NCCSc1ccccn1 Amb6370511 [0,0,0,0,0,0|3,0,0]=3 269 B10R1.17 NCCSc1ccccn1 Amb6844895 [0,0,0,0,0,0|3,0,0]=3 270 B10R1.17 NCCSc1cnccn1 Amb18251482 [0,0,0,0,0,0|4,0,0]=4 271 B10R1.17 NCCSc1ncccn1 Amb32662378 [0,0,0,0,0,0|4,0,0]=4 272 B10R1.17 NCCSc1ncccn1 Amb6680219 [0,0,0,0,0,0|4,0,0]=4 273 B10R1.17 NC\C=C/c1ccccc1 Amb24746209 [0,0,0,0,0,0|1,0,2]=3 274 B10R1.17 NC\C=C/c1ccccc1 Amb6383106 [0,0,0,0,0,0|1,0,2]=3 275 B10R1.17 NC\C=C\c1ccccc1 Amb16187112 [0,0,0,0,0,0|1,0,2]=3 276 B10R1.17 NC\C=C\c1ccccc1 Amb4019220 [0,0,0,0,0,0|1,0,2]=3 277 B10R1.17 NC\C=C\c1ccccn1 Amb18063261 [0,0,0,0,0,0|2,0,2]=4 278 B10R1.17 NC\C=C\c1cccnc1 Amb18063302 [0,0,0,0,0,0|2,0,2]=4 279 B10R1.17 NC\C=C\c1cccnc1 Amb31148908 [0,0,0,0,0,0|2,0,2]=4 280 B10R1.17 NC\C=C\c1ccncc1 Amb18062333 [0,0,0,0,0,0|2,0,2]=4 281 B10R1.17 NNCCc1ccccc1 Amb10608987 [0,0,0,0,0,0|2,0,0]=2 282 B10R1.17 NNCCc1ccccc1 Amb1117029 [0,0,0,0,0,0|2,0,0]=2 283 B10R1.17 NNCCc1ccccc1 Amb33552804 [0,0,0,0,0,0|2,0,0]=2 284 B10R1.17 NNCCc1ccccn1 Amb20669588 [0,0,0,0,0,0|3,0,0]=3 285 B10R1.17 NNCCc1ccccn1 Amb33528741 [0,0,0,0,0,0|3,0,0]=3 286 B10R1.17 NNCCc1ccncc1 Amb6248763 [0,0,0,0,0,0|3,0,0]=3 287 B10R1.17 NNCCc1cnccn1 Amb35695639 [0,0,0,0,0,0|4,0,0]=4 288 B10R1.17 NOCCc1ccccc1 Amb2899735 [0,0,0,0,0,0|2,0,0]=2 289 B10R1.17 NOCCc1ccccc1 Amb6308543 [0,0,0,0,0,0|2,0,0]=2 290 B10R1.17 NOCCc1ccccn1 Amb17231907 [0,0,0,0,0,0|3,0,0]=3 291 B10R1.17 NOCCc1cccnc1 Amb25779030 [0,0,0,0,0,0|3,0,0]=3 292 B10R1.17 NOCCc1ccncc1 Amb17231908 [0,0,0,0,0,0|3,0,0]=3 293 B10R1.17 NOCCc1ccncn1 Amb33268679 [0,0,0,0,0,0|4,0,0]=4 294 B10R1.17 NOCCc1cnccn1 Amb33359987 [0,0,0,0,0,0|4,0,0]=4 295 B10R1.17 NOCCc1cncnc1 Amb33149199 [0,0,0,0,0,0|4,0,0]=4 296 B10R1.17 NOCCc1ncccn1 Amb33270405 [0,0,0,0,0,0|4,0,0]=4 297 B10R1.17 N\N=C\Nc1ccccc1 Amb27770569 [0,0,0,0,0,0|3,0,1]=4 298 B10R1.17 O=C=NCc1ccccc1 Amb3939117 [0,0,0,0,0,0|1,0,2]=3 299 B10R1.17 O=C=NCc1cccnc1 Amb17090261 [0,0,0,0,0,0|2,0,2]=4 300 B10R1.17 O=C=NCc1ccncc1 Amb17090262 [0,0,0,0,0,0|2,0,2]=4 301 B10R1.17 O=CC#Cc1ccccc1 Amb3778943 [0,0,0,0,0,0|0,0,4]=4 302 B10R1.17 O=CCCc1ccccc1 Amb2720576 [0,0,0,0,0,0|0,0,2]=2 303 B10R1.17 O=CCCc1ccccn1 Amb17081674 [0,0,0,0,0,0|1,0,2]=3 304 B10R1.17 O=CCCc1cccnc1 Amb17081675 [0,0,0,0,0,0|1,0,2]=3 305 B10R1.17 O=CCCc1ccncc1 Amb8388451 [0,0,0,0,0,0|1,0,2]=3 306 B10R1.17 O=CCCc1ccncn1 Amb26958514 [0,0,0,0,0,0|2,0,2]=4 307 B10R1.17 O=CCCc1cnccn1 Amb25876683 [0,0,0,0,0,0|2,0,2]=4 308 B10R1.17 O=CCCc1cncnc1 Amb24657168 [0,0,0,0,0,0|2,0,2]=4 309 B10R1.17 O=CCCc1ncccn1 Amb24056162 [0,0,0,0,0,0|2,0,2]=4 310 B10R1.17 O=CCOc1ccccc1 Amb3465095 [0,0,0,0,0,0|1,0,2]=3 311 B10R1.17 O=CCOc1ccccn1 Amb27823582 [0,0,0,0,0,0|2,0,2]=4 312 B10R1.17 O=CCSc1ccccc1 Amb17082903 [0,0,0,0,0,0|1,0,2]=3 313 B10R1.17 O=CNCc1ccccc1 Amb1916036 [0,0,0,0,0,0|1,0,2]=3 314 B10R1.17 O=CNCc1ccccn1 Amb22370826 [0,0,0,0,0,0|2,0,2]=4 315 B10R1.17 O=CNCc1cccnc1 Amb2694543 [0,0,0,0,0,0|2,0,2]=4 316 B10R1.17 O=CNNc1ccccc1 Amb2721099 [0,0,0,0,0,0|2,0,2]=4 317 B10R1.17 O=COCc1ccccc1 Amb4605893 [0,0,0,0,0,0|1,0,2]=3 318 B10R1.17 O=C[CH]Cc1ccccc1 Amb34916523 [0,0,0,0,0,0|0,0,3]=3 319 B10R1.17 O=C\C=C/c1ccccc1 Amb20246989 [0,0,0,0,0,0|0,0,4]=4 320 B10R1.17 O=C\C=C\c1ccccc1 Amb2792758 [0,0,0,0,0,0|0,0,4]=4 321 B10R1.17 OCC#Cc1ccccc1 Amb534712 [0,0,0,0,0,0|0,0,2]=2 322 B10R1.17 OCC#Cc1ccccn1 Amb2227478 [0,0,0,0,0,0|1,0,2]=3 323 B10R1.17 OCC#Cc1cccnc1 Amb9777316 [0,0,0,0,0,0|1,0,2]=3 324 B10R1.17 OCC#Cc1ccncc1 Amb9777314 [0,0,0,0,0,0|1,0,2]=3 325 B10R1.17 OCC#Cc1cnccn1 Amb25965643 [0,0,0,0,0,0|2,0,2]=4 326 B10R1.17 OCC#Cc1cncnc1 Amb1086948 [0,0,0,0,0,0|2,0,2]=4 327 B10R1.17 OCC#Cc1ncccn1 Amb24068881 [0,0,0,0,0,0|2,0,2]=4 328 B10R1.17 OCCCC1=CCC=CC1 Amb22047467 [0,0,0,0,0,0|0,0,2]=2 329 B10R1.17 OCCCC1=CCCCC1 Amb27839367 [0,0,0,0,0,0|0,0,4]=4 330 B10R1.17 OCCCC1=CCNCC1 Amb28286794 [0,0,0,0,0,0|1,0,3]=4 331 B10R1.17 OCCCC1=CCOCC1 Amb28069764 [0,0,0,0,0,0|1,0,3]=4 332 B10R1.17 OCCCC1=COCCC1 Amb33424240 [0,0,0,0,0,0|1,0,3]=4 333 B10R1.17 OCCCC1CC=CCC1 Amb27150884 [0,0,0,0,0,0|0,0,4]=4 334 B10R1.17 OCCCC1CCC=CO1 Amb27839340 [0,0,0,0,0,0|1,0,3]=4 335 B10R1.17 OCCCc1ccccc1 Amb3939054 [0,0,0,0,0,0|0,0,0]=0 336 B10R1.17 OCCCc1ccccn1 Amb22749323 [0,0,0,0,0,0|1,0,0]=1 337 B10R1.17 OCCCc1ccccn1 Amb3939333 [0,0,0,0,0,0|1,0,0]=1 338 B10R1.17 OCCCc1cccnc1 Amb2694598 [0,0,0,0,0,0|1,0,0]=1 339 B10R1.17 OCCCc1cccnc1 Amb33623848 [0,0,0,0,0,0|1,0,0]=1 340 B10R1.17 OCCCc1cccnn1 Amb27208115 [0,0,0,0,0,0|2,0,0]=2 341 B10R1.17 OCCCc1ccncc1 Amb3650114 [0,0,0,0,0,0|1,0,0]=1 342 B10R1.17 OCCCc1ccncn1 Amb24099660 [0,0,0,0,0,0|2,0,0]=2 343 B10R1.17 OCCCc1ccnnc1 Amb23559794 [0,0,0,0,0,0|2,0,0]=2 344 B10R1.17 OCCCc1cnccn1 Amb22499266 [0,0,0,0,0,0|2,0,0]=2 345 B10R1.17 OCCCc1cncnc1 Amb24063145 [0,0,0,0,0,0|2,0,0]=2 346 B10R1.17 OCCCc1ncccn1 Amb22499265 [0,0,0,0,0,0|2,0,0]=2 347 B10R1.17 OCCNc1ccccc1 Amb3940335 [0,0,0,0,0,0|1,0,0]=1 348 B10R1.17 OCCNc1ccccn1 Amb10809152 [0,0,0,0,0,0|2,0,0]=2 349 B10R1.17 OCCNc1ccccn1 Amb2610537 [0,0,0,0,0,0|2,0,0]=2 350 B10R1.17 OCCNc1cccnc1 Amb18266115 [0,0,0,0,0,0|2,0,0]=2 351 B10R1.17 OCCNc1cccnn1 Amb18298692 [0,0,0,0,0,0|3,0,0]=3 352 B10R1.17 OCCNc1ccncc1 Amb6631563 [0,0,0,0,0,0|2,0,0]=2 353 B10R1.17 OCCNc1ccncn1 Amb18973688 [0,0,0,0,0,0|3,0,0]=3 354 B10R1.17 OCCNc1cnccn1 Amb6650910 [0,0,0,0,0,0|3,0,0]=3 355 B10R1.17 OCCNc1ncccn1 Amb6622896 [0,0,0,0,0,0|3,0,0]=3 356 B10R1.17 OCCNc1ncncn1 Amb26047058 [0,0,0,0,0,0|4,0,0]=4 357 B10R1.17 OCCOC1C=CC=CO1 Amb27829943 [0,0,0,0,0,0|2,0,1]=3 358 B10R1.17 OCCOc1ccccc1 Amb2209344 [0,0,0,0,0,0|1,0,0]=1 359 B10R1.17 OCCOc1ccccn1 Amb23598433 [0,0,0,0,0,0|2,0,0]=2 360 B10R1.17 OCCOc1cccnc1 Amb19333986 [0,0,0,0,0,0|2,0,0]=2 361 B10R1.17 OCCSc1ccccn1 Amb2722740 [0,0,0,0,0,0|2,0,0]=2 362 B10R1.17 OCCSc1ncccn1 Amb33529079 [0,0,0,0,0,0|3,0,0]=3 363 B10R1.17 OCOCc1ccccc1 Amb25727798 [0,0,0,0,0,0|1,0,0]=1 364 B10R1.17 OCSCc1ccccc1 Amb27839241 [0,0,0,0,0,0|1,0,0]=1 365 B10R1.17 OC\C=C/c1ccccn1 Amb26391968 [0,0,0,0,0,0|1,0,2]=3 366 B10R1.17 OC\C=C/c1ccncc1 Amb27617653 [0,0,0,0,0,0|1,0,2]=3 367 B10R1.17 OC\C=C\c1ccccc1 Amb7809230 [0,0,0,0,0,0|0,0,2]=2 368 B10R1.17 OC\C=C\c1ccccn1 Amb22749315 [0,0,0,0,0,0|1,0,2]=3 369 B10R1.17 OC\C=C\c1cccnc1 Amb17619713 [0,0,0,0,0,0|1,0,2]=3 370 B10R1.17 OC\C=C\c1ccncc1 Amb22749186 [0,0,0,0,0,0|1,0,2]=3 371 B10R1.17 OC\C=C\c1ccncn1 Amb27775610 [0,0,0,0,0,0|2,0,2]=4 372 B10R1.17 OC\C=C\c1cnccn1 Amb33429679 [0,0,0,0,0,0|2,0,2]=4 373 B10R1.17 OC\C=C\c1cncnc1 Amb27491218 [0,0,0,0,0,0|2,0,2]=4 374 B10R1.17 OC\C=C\c1ncccn1 Amb33270341 [0,0,0,0,0,0|2,0,2]=4 375 B10R1.17 ONCCc1ccccc1 Amb33544180 [0,0,0,0,0,0|1,0,0]=1 376 B10R1.17 O\N=C\Cc1ccccc1 Amb31275669 [0,0,0,0,0,0|1,0,1]=2 377 B10R1.17 O\N=C\Cc1ccccn1 Amb27767920 [0,0,0,0,0,0|2,0,1]=3 378 B10R1.17 O\N=C\Cc1ccncc1 Amb28186073 [0,0,0,0,0,0|2,0,1]=3 379 B10R1.17 O\N=C\Nc1ccccc1 Amb27449667 [0,0,0,0,0,0|2,0,1]=3 380 B10R1.17 S=C=NCc1ccccc1 Amb1102095 [0,0,0,0,0,0|1,1,1]=3 381 B10R1.17 S=C=NCc1cccnc1 Amb1107163 [0,0,0,0,0,0|2,1,1]=4 382 B10R1.17 S=C=NCc1cccnc1 Amb2690342 [0,0,0,0,0,0|2,1,1]=4 383 B10R1.17 SCC#Cc1ccccc1 Amb27454293 [0,0,0,0,0,0|0,1,2]=3 384 B10R1.17 SCCCc1ccccc1 Amb6255807 [0,0,0,0,0,0|0,1,0]=1 385 B10R1.17 SCCCc1ccccn1 Amb17399950 [0,0,0,0,0,0|1,1,0]=2 386 B10R1.17 SCCCc1cccnc1 Amb17399951 [0,0,0,0,0,0|1,1,0]=2 387 B10R1.17 SCCCc1ccncc1 Amb17399952 [0,0,0,0,0,0|1,1,0]=2 388 B10R1.17 SCCCc1ccncn1 Amb33267504 [0,0,0,0,0,0|2,1,0]=3 389 B10R1.17 SCCCc1cnccn1 Amb33429609 [0,0,0,0,0,0|2,1,0]=3 390 B10R1.17 SCCCc1cncnc1 Amb32875710 [0,0,0,0,0,0|2,1,0]=3 391 B10R1.17 SCCCc1ncccn1 Amb33269609 [0,0,0,0,0,0|2,1,0]=3 392 B10R1.17 SCCOc1ccccc1 Amb2794986 [0,0,0,0,0,0|1,1,0]=2 393 B10R1.17 SCCSc1ccccc1 Amb13881734 [0,0,0,0,0,0|1,1,0]=2 394 B10R1.17 SCCSc1ccncn1 Amb28321647 [0,0,0,0,0,0|3,1,0]=4 395 B10R1.17 SC\C=C\c1ccccc1 Amb6255720 [0,0,0,0,0,0|0,1,2]=3 396 B10R1.17 [C-]#[N+]CCc1ccccc1 Amb1981030 [0,0,0,0,0,0|2,0,0]=2 397 B10R1.17 [C-]#[N+]CCc1ccccn1 Amb5456295 [0,0,0,0,0,0|3,0,0]=3 398 B10R1.17 [C-]#[N+]CCc1cccnc1 Amb33429418 [0,0,0,0,0,0|3,0,0]=3 399 B10R1.17 [C-]#[N+]CCc1ccncc1 Amb2235948 [0,0,0,0,0,0|3,0,0]=3 400 B10R1.17 [C-]#[N+]CCc1ccncn1 Amb33269017 [0,0,0,0,0,0|4,0,0]=4 401 B10R1.17 [C-]#[N+]CCc1cnccn1 Amb33359998 [0,0,0,0,0,0|4,0,0]=4 402 B10R1.17 [C-]#[N+]CCc1cncnc1 Amb33465638 [0,0,0,0,0,0|4,0,0]=4 403 B10R1.17 [C-]#[N+]CCc1ncccn1 Amb33270415 [0,0,0,0,0,0|4,0,0]=4 404 B10R1.17 [N-]=[N+]=NCc1ccccc1 Amb2721052 [0,0,0,0,0,0|3,0,0]=3 405 B10R1.17 [N-]=[N+]=NCc1ccccn1 Amb10608487 [0,0,0,0,0,0|4,0,0]=4 406 B10R1.17 [N-]=[N+]=NCc1cccnc1 Amb10608488 [0,0,0,0,0,0|4,0,0]=4 407 B10R1.17 [N-]=[N+]=NCc1ccncc1 Amb19373643 [0,0,0,0,0,0|4,0,0]=4 408 B10R1.17 [SiH3]CCCc1ccccc1 Amb22347053 [0,0,0,0,0,0|1,0,0]=1 409 B9R1.8 BrC#Cc1ccccc1 Amb16233213 [1,0,0,0,0,0|1,0,2]=4 410 B9R1.8 BrCC[n+]1ccccc1 Amb2617784 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.8 BrCC[n+]1ccccc1 Amb26365793 [1,0,0,0,0,0|2,0,0]=3 412 B9R1.8 BrCCc1ccccn1 Amb1102303 [1,0,0,0,0,0|2,0,0]=3 413 B9R1.8 BrCCc1ccccn1 Amb17935743 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.8 BrCCc1cccnc1 Amb19069960 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.8 BrCCc1cccnc1 Amb19372982 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.8 BrCCc1ccncc1 Amb18326675 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.8 BrCCc1ccncc1 Amb33313562 [1,0,0,0,0,0|2,0,0]=3 418 B9R1.8 BrCCc1ccncn1 Amb25681855 [1,0,0,0,0,0|3,0,0]=4 419 B9R1.8 BrCCc1cnccn1 Amb24652166 [1,0,0,0,0,0|3,0,0]=4 420 B9R1.8 BrCCc1cncnc1 Amb18327370 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.8 BrCCc1ncccn1 Amb27813162 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.8 Br\C=C/c1ccccc1 Amb24117456 [1,0,0,0,0,0|1,0,2]=4 423 B9R1.8 Br\C=C\c1ccccc1 Amb3940204 [1,0,0,0,0,0|1,0,2]=4 424 B9R1.8 C#CCc1ccccn1 Amb25759001 [1,0,0,0,0,0|1,0,2]=4 425 B9R1.8 C#CCc1cccnc1 Amb27219897 [1,0,0,0,0,0|1,0,2]=4 426 B9R1.8 C#CCc1ccncc1 Amb24478677 [1,0,0,0,0,0|1,0,2]=4 427 B9R1.8 C#COc1ccccc1 Amb27194589 [1,0,0,0,0,0|1,0,2]=4 428 B9R1.8 C#CSc1ccccc1 Amb17940373 [1,0,0,0,0,0|1,0,2]=4 429 B9R1.8 C#C[I+]c1ccccc1 Amb19883870 [1,0,0,0,0,0|1,0,2]=4 430 B9R1.8 C#NCc1ccccc1 Amb31132452 [1,0,0,0,0,0|1,0,1]=3 431 B9R1.8 C#NCc1ccccn1 Amb31132453 [1,0,0,0,0,0|2,0,1]=4 432 B9R1.8 C#NCc1cccnc1 Amb31132454 [1,0,0,0,0,0|2,0,1]=4 433 B9R1.8 C#NCc1ccncc1 Amb31132455 [1,0,0,0,0,0|2,0,1]=4 434 B9R1.8 C=CC[n+]1ccccc1 Amb27838939 [1,0,0,0,0,0|1,0,2]=4 435 B9R1.8 C=CCc1ccccc1 Amb2599341 [1,0,0,0,0,0|0,0,2]=3 436 B9R1.8 C=CCc1cccnc1 Amb24477831 [1,0,0,0,0,0|1,0,2]=4 437 B9R1.8 C=COc1ccccc1 Amb10564213 [1,0,0,0,0,0|1,0,2]=4 438 B9R1.8 C=CSc1ccccc1 Amb8387516 [1,0,0,0,0,0|1,0,2]=4 439 B9R1.8 C=NCc1ccccc1 Amb28256747 [1,0,0,0,0,0|1,0,1]=3 440 B9R1.8 C=NCc1ccncc1 Amb27758185 [1,0,0,0,0,0|2,0,1]=4 441 B9R1.8 CC#Cc1ccccc1 Amb8513696 [1,0,0,0,0,0|0,0,2]=3 442 B9R1.8 CC#Cc1ccccn1 Amb25147069 [1,0,0,0,0,0|1,0,2]=4 443 B9R1.8 CCC[n+]1ccccc1 Amb24325390 [1,0,0,0,0,0|1,0,0]=2 444 B9R1.8 CCCc1ccccc1 Amb2447143 [1,0,0,0,0,0|0,0,0]=1 445 B9R1.8 CCCc1ccccn1 Amb6366812 [1,0,0,0,0,0|1,0,0]=2 446 B9R1.8 CCCc1cccnc1 Amb2613018 [1,0,0,0,0,0|1,0,0]=2 447 B9R1.8 CCCc1cccnn1 Amb24447402 [1,0,0,0,0,0|2,0,0]=3 448 B9R1.8 CCCc1ccncc1 Amb4017941 [1,0,0,0,0,0|1,0,0]=2 449 B9R1.8 CCCc1ccncn1 Amb24070638 [1,0,0,0,0,0|2,0,0]=3 450 B9R1.8 CCCc1cnccn1 Amb2690413 [1,0,0,0,0,0|2,0,0]=3 451 B9R1.8 CCNc1ccccc1 Amb3940127 [1,0,0,0,0,0|1,0,0]=2 452 B9R1.8 CCNc1ccccn1 Amb6640743 [1,0,0,0,0,0|2,0,0]=3 453 B9R1.8 CCNc1cccnc1 Amb6686634 [1,0,0,0,0,0|2,0,0]=3 454 B9R1.8 CCNc1cccnn1 Amb18286130 [1,0,0,0,0,0|3,0,0]=4 455 B9R1.8 CCNc1ccncc1 Amb33545749 [1,0,0,0,0,0|2,0,0]=3 456 B9R1.8 CCNc1ccncn1 Amb18282107 [1,0,0,0,0,0|3,0,0]=4 457 B9R1.8 CCNc1ccnnc1 Amb23559704 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.8 CCNc1cncnc1 Amb18270553 [1,0,0,0,0,0|3,0,0]=4 459 B9R1.8 CCNc1ncccn1 Amb6633030 [1,0,0,0,0,0|3,0,0]=4 460 B9R1.8 CCOc1ccccc1 Amb2842270 [1,0,0,0,0,0|1,0,0]=2 461 B9R1.8 CCOc1ccccn1 Amb2609960 [1,0,0,0,0,0|2,0,0]=3 462 B9R1.8 CCOc1cccnc1 Amb10573342 [1,0,0,0,0,0|2,0,0]=3 463 B9R1.8 CCOc1cccnn1 Amb19958352 [1,0,0,0,0,0|3,0,0]=4 464 B9R1.8 CCOc1ccncc1 Amb8396897 [1,0,0,0,0,0|2,0,0]=3 465 B9R1.8 CCOc1cnccn1 Amb8387604 [1,0,0,0,0,0|3,0,0]=4 466 B9R1.8 CCSc1ccccc1 Amb2687929 [1,0,0,0,0,0|1,0,0]=2 467 B9R1.8 CCSc1ccccn1 Amb26656831 [1,0,0,0,0,0|2,0,0]=3 468 B9R1.8 CCSc1ccncc1 Amb27766422 [1,0,0,0,0,0|2,0,0]=3 469 B9R1.8 CNCc1ccccc1 Amb3699562 [1,0,0,0,0,0|1,0,0]=2 470 B9R1.8 CNCc1ccccn1 Amb10068750 [1,0,0,0,0,0|2,0,0]=3 471 B9R1.8 CNCc1ccccn1 Amb10576408 [1,0,0,0,0,0|2,0,0]=3 472 B9R1.8 CNCc1ccccn1 Amb3941148 [1,0,0,0,0,0|2,0,0]=3 473 B9R1.8 CNCc1cccnc1 Amb10066918 [1,0,0,0,0,0|2,0,0]=3 474 B9R1.8 CNCc1cccnc1 Amb10576409 [1,0,0,0,0,0|2,0,0]=3 475 B9R1.8 CNCc1cccnc1 Amb1648828 [1,0,0,0,0,0|2,0,0]=3 476 B9R1.8 CNCc1cccnn1 Amb32667437 [1,0,0,0,0,0|3,0,0]=4 477 B9R1.8 CNCc1cccnn1 Amb8010012 [1,0,0,0,0,0|3,0,0]=4 478 B9R1.8 CNCc1ccncc1 Amb10068773 [1,0,0,0,0,0|2,0,0]=3 479 B9R1.8 CNCc1ccncc1 Amb1115812 [1,0,0,0,0,0|2,0,0]=3 480 B9R1.8 CNCc1ccncn1 Amb21962059 [1,0,0,0,0,0|3,0,0]=4 481 B9R1.8 CNCc1ccncn1 Amb22587684 [1,0,0,0,0,0|3,0,0]=4 482 B9R1.8 CNCc1ccncn1 Amb3941356 [1,0,0,0,0,0|3,0,0]=4 483 B9R1.8 CNCc1ccnnc1 Amb24183593 [1,0,0,0,0,0|3,0,0]=4 484 B9R1.8 CNCc1ccnnc1 Amb27784160 [1,0,0,0,0,0|3,0,0]=4 485 B9R1.8 CNCc1cnccn1 Amb1094140 [1,0,0,0,0,0|3,0,0]=4 486 B9R1.8 CNCc1cnccn1 Amb21959600 [1,0,0,0,0,0|3,0,0]=4 487 B9R1.8 CNCc1cncnc1 Amb32664708 [1,0,0,0,0,0|3,0,0]=4 488 B9R1.8 CNCc1cncnc1 Amb8010525 [1,0,0,0,0,0|3,0,0]=4 489 B9R1.8 CNCc1ncccn1 Amb30585159 [1,0,0,0,0,0|3,0,0]=4 490 B9R1.8 CNCc1ncccn1 Amb8010518 [1,0,0,0,0,0|3,0,0]=4 491 B9R1.8 CNNc1ccccc1 Amb20242875 [1,0,0,0,0,0|2,0,0]=3 492 B9R1.8 CNNc1ccccc1 Amb27969267 [1,0,0,0,0,0|2,0,0]=3 493 B9R1.8 COCc1ccccc1 Amb2782562 [1,0,0,0,0,0|1,0,0]=2 494 B9R1.8 COCc1ccccn1 Amb4017561 [1,0,0,0,0,0|2,0,0]=3 495 B9R1.8 COCc1ccnnc1 Amb27224297 [1,0,0,0,0,0|3,0,0]=4 496 B9R1.8 COCc1cnccn1 Amb24656513 [1,0,0,0,0,0|3,0,0]=4 497 B9R1.8 CSCc1ccccn1 Amb27837576 [1,0,0,0,0,0|2,0,0]=3 498 B9R1.8 CSCc1cccnc1 Amb24523080 [1,0,0,0,0,0|2,0,0]=3 499 B9R1.8 CSCc1cncnc1 Amb27653014 [1,0,0,0,0,0|3,0,0]=4 500 B9R1.8 CSSc1ccccc1 Amb4008371 [1,0,0,0,0,0|2,0,0]=3 501 B9R1.8 C[NH2+]Cc1ccccc1 Amb20648430 [1,0,0,0,0,0|1,0,0]=2 502 B9R1.8 C\C=C/c1ccccc1 Amb2690400 [1,0,0,0,0,0|0,0,2]=3 503 B9R1.8 C\C=C\c1ccccc1 Amb6366726 [1,0,0,0,0,0|0,0,2]=3 504 B9R1.8 C\C=N\c1ccccc1 Amb8392386 [1,0,0,0,0,0|1,0,1]=3 505 B9R1.8 C\C=N\c1cccnc1 Amb27787691 [1,0,0,0,0,0|2,0,1]=4 506 B9R1.8 C\N=C\c1ccccc1 Amb8513063 [1,0,0,0,0,0|1,0,1]=3 507 B9R1.8 C\N=C\c1ccncc1 Amb22330508 [1,0,0,0,0,0|2,0,1]=4 508 B9R1.8 ClCC[n+]1ccccc1 Amb28195087 [1,0,0,0,0,0|2,0,0]=3 509 B9R1.8 ClCCc1ccccc1 Amb535682 [1,0,0,0,0,0|1,0,0]=2 510 B9R1.8 ClCCc1ccccn1 Amb1102254 [1,0,0,0,0,0|2,0,0]=3 511 B9R1.8 ClCCc1ccccn1 Amb19892295 [1,0,0,0,0,0|2,0,0]=3 512 B9R1.8 ClCCc1cccnc1 Amb24061504 [1,0,0,0,0,0|2,0,0]=3 513 B9R1.8 ClCCc1ccncc1 Amb23400891 [1,0,0,0,0,0|2,0,0]=3 514 B9R1.8 ClCCc1ccncc1 Amb9004339 [1,0,0,0,0,0|2,0,0]=3 515 B9R1.8 ClCCc1cnccn1 Amb33291299 [1,0,0,0,0,0|3,0,0]=4 516 B9R1.8 ClCCc1cncnc1 Amb24529105 [1,0,0,0,0,0|3,0,0]=4 517 B9R1.8 ClCOc1ccccc1 Amb22059503 [1,0,0,0,0,0|2,0,0]=3 518 B9R1.8 ClCSc1ccccn1 Amb27603302 [1,0,0,0,0,0|3,0,0]=4 519 B9R1.8 ClCSc1ccncc1 Amb27185726 [1,0,0,0,0,0|3,0,0]=4 520 B9R1.8 ClNCc1cccnc1 Amb27951574 [1,0,0,0,0,0|3,0,0]=4 521 B9R1.8 Cl\C=C\c1ccccc1 Amb10572872 [1,0,0,0,0,0|1,0,2]=4 522 B9R1.8 F\C=C\c1ccccc1 Amb22641699 [1,0,0,0,0,0|1,0,2]=4 523 B9R1.8 IC#Cc1ccccc1 Amb26442219 [1,0,0,0,0,0|1,0,2]=4 524 B9R1.8 ICCc1ccccc1 Amb8515353 [1,0,0,0,0,0|1,0,0]=2 525 B9R1.8 ICCc1cccnc1 Amb33534604 [1,0,0,0,0,0|2,0,0]=3 526 B9R1.8 ICCc1ccncc1 Amb28383331 [1,0,0,0,0,0|2,0,0]=3 527 B9R1.8 ICCc1cnccn1 Amb29849698 [1,0,0,0,0,0|3,0,0]=4 528 B9R1.8 I\C=C\c1ccccc1 Amb24646418 [1,0,0,0,0,0|1,0,2]=4 529 B9R1.8 N#CC[n+]1ccccc1 Amb2608894 [1,0,0,0,0,0|2,0,1]=4 530 B9R1.8 N#CCc1ccccc1 Amb3598087 [1,0,0,0,0,0|1,0,1]=3 531 B9R1.8 N#CCc1ccccn1 Amb845695 [1,0,0,0,0,0|2,0,1]=4 532 B9R1.8 N#CCc1cccnc1 Amb2695344 [1,0,0,0,0,0|2,0,1]=4 533 B9R1.8 N#CCc1ccncc1 Amb6661799 [1,0,0,0,0,0|2,0,1]=4 534 B9R1.8 N#CCc1ccncc1 Amb8516296 [1,0,0,0,0,0|2,0,1]=4 535 B9R1.8 N#CNc1ccccc1 Amb9783273 [1,0,0,0,0,0|2,0,1]=4 536 B9R1.8 N#COc1ccccc1 Amb15692860 [1,0,0,0,0,0|2,0,1]=4 537 B9R1.8 N#CSc1ccccc1 Amb6892469 [1,0,0,0,0,0|2,0,1]=4 538 B9R1.8 N#C[Se]c1ccccc1 Amb2690321 [1,0,0,0,0,0|2,0,1]=4 539 B9R1.8 NCC[n+]1ccccc1 Amb27246156 [1,0,0,0,0,0|2,0,0]=3 540 B9R1.8 NCCc1ccccc1 Amb17843439 [1,0,0,0,0,0|1,0,0]=2 541 B9R1.8 NCCc1ccccc1 Amb2792829 [1,0,0,0,0,0|1,0,0]=2 542 B9R1.8 NCCc1ccccn1 Amb1156071 [1,0,0,0,0,0|2,0,0]=3 543 B9R1.8 NCCc1ccccn1 Amb24066975 [1,0,0,0,0,0|2,0,0]=3 544 B9R1.8 NCCc1cccnc1 Amb1134784 [1,0,0,0,0,0|2,0,0]=3 545 B9R1.8 NCCc1cccnc1 Amb16230500 [1,0,0,0,0,0|2,0,0]=3 546 B9R1.8 NCCc1cccnc1 Amb20241523 [1,0,0,0,0,0|2,0,0]=3 547 B9R1.8 NCCc1cccnc1 Amb8631307 [1,0,0,0,0,0|2,0,0]=3 548 B9R1.8 NCCc1cccnn1 Amb23592188 [1,0,0,0,0,0|3,0,0]=4 549 B9R1.8 NCCc1ccncc1 Amb1102164 [1,0,0,0,0,0|2,0,0]=3 550 B9R1.8 NCCc1ccncc1 Amb8631358 [1,0,0,0,0,0|2,0,0]=3 551 B9R1.8 NCCc1ccncn1 Amb22899210 [1,0,0,0,0,0|3,0,0]=4 552 B9R1.8 NCCc1ccncn1 Amb8009432 [1,0,0,0,0,0|3,0,0]=4 553 B9R1.8 NCCc1ccnnc1 Amb31217486 [1,0,0,0,0,0|3,0,0]=4 554 B9R1.8 NCCc1ccnnc1 Amb8009433 [1,0,0,0,0,0|3,0,0]=4 555 B9R1.8 NCCc1cnccn1 Amb10067912 [1,0,0,0,0,0|3,0,0]=4 556 B9R1.8 NCCc1cnccn1 Amb1995199 [1,0,0,0,0,0|3,0,0]=4 557 B9R1.8 NCCc1cnccn1 Amb22756001 [1,0,0,0,0,0|3,0,0]=4 558 B9R1.8 NCCc1cnccn1 Amb24066949 [1,0,0,0,0,0|3,0,0]=4 559 B9R1.8 NCCc1cnccn1 Amb30526944 [1,0,0,0,0,0|3,0,0]=4 560 B9R1.8 NCCc1cncnc1 Amb32667660 [1,0,0,0,0,0|3,0,0]=4 561 B9R1.8 NCCc1cncnc1 Amb8009434 [1,0,0,0,0,0|3,0,0]=4 562 B9R1.8 NCCc1cncnc1 Amb8631335 [1,0,0,0,0,0|3,0,0]=4 563 B9R1.8 NCCc1ncccn1 Amb17074351 [1,0,0,0,0,0|3,0,0]=4 564 B9R1.8 NCCc1ncccn1 Amb18199432 [1,0,0,0,0,0|3,0,0]=4 565 B9R1.8 NCCc1ncccn1 Amb23399636 [1,0,0,0,0,0|3,0,0]=4 566 B9R1.8 NCNc1ccccc1 Amb17117015 [1,0,0,0,0,0|2,0,0]=3 567 B9R1.8 NCOc1ccccc1 Amb25128781 [1,0,0,0,0,0|2,0,0]=3 568 B9R1.8 NNCc1ccccc1 Amb1105200 [1,0,0,0,0,0|2,0,0]=3 569 B9R1.8 NNCc1ccccc1 Amb16231890 [1,0,0,0,0,0|2,0,0]=3 570 B9R1.8 NNCc1ccccc1 Amb22492438 [1,0,0,0,0,0|2,0,0]=3 571 B9R1.8 NNCc1ccccc1 Amb8513062 [1,0,0,0,0,0|2,0,0]=3 572 B9R1.8 NNCc1ccccc1 Amb9826089 [1,0,0,0,0,0|2,0,0]=3 573 B9R1.8 NNCc1ccccn1 Amb1117330 [1,0,0,0,0,0|3,0,0]=4 574 B9R1.8 NNCc1ccccn1 Amb28984160 [1,0,0,0,0,0|3,0,0]=4 575 B9R1.8 NNCc1ccccn1 Amb6892424 [1,0,0,0,0,0|3,0,0]=4 576 B9R1.8 NNCc1cccnc1 Amb1121062 [1,0,0,0,0,0|3,0,0]=4 577 B9R1.8 NNCc1cccnc1 Amb22491471 [1,0,0,0,0,0|3,0,0]=4 578 B9R1.8 NNCc1cccnc1 Amb33551495 [1,0,0,0,0,0|3,0,0]=4 579 B9R1.8 NNCc1ccncc1 Amb1118337 [1,0,0,0,0,0|3,0,0]=4 580 B9R1.8 NNCc1ccncc1 Amb19893255 [1,0,0,0,0,0|3,0,0]=4 581 B9R1.8 NNCc1ccncc1 Amb2691315 [1,0,0,0,0,0|3,0,0]=4 582 B9R1.8 NNCc1ccncc1 Amb28984138 [1,0,0,0,0,0|3,0,0]=4 583 B9R1.8 NOCc1ccccc1 Amb1154307 [1,0,0,0,0,0|2,0,0]=3 584 B9R1.8 NOCc1ccccc1 Amb22489499 [1,0,0,0,0,0|2,0,0]=3 585 B9R1.8 NOCc1ccccc1 Amb6600539 [1,0,0,0,0,0|2,0,0]=3 586 B9R1.8 NOCc1ccccn1 Amb18642195 [1,0,0,0,0,0|3,0,0]=4 587 B9R1.8 NOCc1ccccn1 Amb32663271 [1,0,0,0,0,0|3,0,0]=4 588 B9R1.8 NOCc1cccnc1 Amb24074265 [1,0,0,0,0,0|3,0,0]=4 589 B9R1.8 NOCc1cccnc1 Amb33546939 [1,0,0,0,0,0|3,0,0]=4 590 B9R1.8 NOCc1ccncc1 Amb22397036 [1,0,0,0,0,0|3,0,0]=4 591 B9R1.8 N\C=N\c1ccccc1 Amb10552787 [1,0,0,0,0,0|2,0,1]=4 592 B9R1.8 N\C=P\c1ccccc1 Amb27643938 [1,0,0,0,0,0|2,0,1]=4 593 B9R1.8 N\N=C\c1ccccc1 Amb31284503 [1,0,0,0,0,0|2,0,1]=4 594 B9R1.8 O=C=Nc1ccccc1 Amb3939417 [1,0,0,0,0,0|1,0,2]=4 595 B9R1.8 O=CCc1ccccc1 Amb3939950 [1,0,0,0,0,0|0,0,2]=3 596 B9R1.8 O=CCc1ccccn1 Amb17089528 [1,0,0,0,0,0|1,0,2]=4 597 B9R1.8 O=CCc1cccnc1 Amb8011002 [1,0,0,0,0,0|1,0,2]=4 598 B9R1.8 O=CCc1ccncc1 Amb17089529 [1,0,0,0,0,0|1,0,2]=4 599 B9R1.8 O=CNc1ccccc1 Amb2613772 [1,0,0,0,0,0|1,0,2]=4 600 B9R1.8 O=COc1ccccc1 Amb22002710 [1,0,0,0,0,0|1,0,2]=4 601 B9R1.8 O=S=Nc1ccccc1 Amb2720783 [1,0,0,0,0,0|2,0,1]=4 602 B9R1.8 OCC[n+]1ccccc1 Amb27839429 [1,0,0,0,0,0|1,0,0]=2 603 B9R1.8 OCCc1ccccc1 Amb2793058 [1,0,0,0,0,0|0,0,0]=1 604 B9R1.8 OCCc1ccccn1 Amb3939045 [1,0,0,0,0,0|1,0,0]=2 605 B9R1.8 OCCc1cccnc1 Amb2688750 [1,0,0,0,0,0|1,0,0]=2 606 B9R1.8 OCCc1cccnn1 Amb25086060 [1,0,0,0,0,0|2,0,0]=3 607 B9R1.8 OCCc1ccncc1 Amb3939219 [1,0,0,0,0,0|1,0,0]=2 608 B9R1.8 OCCc1ccncn1 Amb17593271 [1,0,0,0,0,0|2,0,0]=3 609 B9R1.8 OCCc1ccnnc1 Amb23559765 [1,0,0,0,0,0|2,0,0]=3 610 B9R1.8 OCCc1cnccn1 Amb2695474 [1,0,0,0,0,0|2,0,0]=3 611 B9R1.8 OCCc1cncnc1 Amb20240921 [1,0,0,0,0,0|2,0,0]=3 612 B9R1.8 OCCc1ncccn1 Amb22896758 [1,0,0,0,0,0|2,0,0]=3 613 B9R1.8 OCSc1ccccc1 Amb27776457 [1,0,0,0,0,0|1,0,0]=2 614 B9R1.8 ONCc1ccccc1 Amb22001943 [1,0,0,0,0,0|1,0,0]=2 615 B9R1.8 ONCc1ccccc1 Amb9825936 [1,0,0,0,0,0|1,0,0]=2 616 B9R1.8 ONCc1ccccn1 Amb28457793 [1,0,0,0,0,0|2,0,0]=3 617 B9R1.8 ONCc1ccccn1 Amb32680372 [1,0,0,0,0,0|2,0,0]=3 618 B9R1.8 ONCc1cccnc1 Amb25147084 [1,0,0,0,0,0|2,0,0]=3 619 B9R1.8 ONCc1ccncc1 Amb25851052 [1,0,0,0,0,0|2,0,0]=3 620 B9R1.8 ONCc1ccncn1 Amb23586394 [1,0,0,0,0,0|3,0,0]=4 621 B9R1.8 ONCc1cnccn1 Amb25936839 [1,0,0,0,0,0|3,0,0]=4 622 B9R1.8 ONCc1cncnc1 Amb28066281 [1,0,0,0,0,0|3,0,0]=4 623 B9R1.8 ONCc1ncccn1 Amb23586395 [1,0,0,0,0,0|3,0,0]=4 624 B9R1.8 O\N=C/c1ccccc1 Amb6298335 [1,0,0,0,0,0|1,0,1]=3 625 B9R1.8 O\N=C/c1ccncc1 Amb9821776 [1,0,0,0,0,0|2,0,1]=4 626 B9R1.8 O\N=C\c1ccccc1 Amb2223191 [1,0,0,0,0,0|1,0,1]=3 627 B9R1.8 O\N=C\c1ccccn1 Amb719680 [1,0,0,0,0,0|2,0,1]=4 628 B9R1.8 O\N=C\c1cccnc1 Amb3427823 [1,0,0,0,0,0|2,0,1]=4 629 B9R1.8 O\N=C\c1ccncc1 Amb1793802 [1,0,0,0,0,0|2,0,1]=4 630 B9R1.8 O\N=N\c1ccccn1 Amb17940654 [1,0,0,0,0,0|3,0,0]=4 631 B9R1.8 S=C=Nc1ccccc1 Amb1161696 [1,0,0,0,0,0|1,1,1]=4 632 B9R1.8 S=CNc1ccccc1 Amb25788857 [1,0,0,0,0,0|1,1,1]=4 633 B9R1.8 SCCc1ccccc1 Amb6255605 [1,0,0,0,0,0|0,1,0]=2 634 B9R1.8 SCCc1ccccn1 Amb17619707 [1,0,0,0,0,0|1,1,0]=3 635 B9R1.8 SCCc1cccnc1 Amb22008806 [1,0,0,0,0,0|1,1,0]=3 636 B9R1.8 SCCc1ccncc1 Amb10552830 [1,0,0,0,0,0|1,1,0]=3 637 B9R1.8 SCCc1ccncc1 Amb9800962 [1,0,0,0,0,0|1,1,0]=3 638 B9R1.8 SCCc1ccncn1 Amb33267506 [1,0,0,0,0,0|2,1,0]=4 639 B9R1.8 SCCc1cnccn1 Amb8392837 [1,0,0,0,0,0|2,1,0]=4 640 B9R1.8 SCCc1cncnc1 Amb32875711 [1,0,0,0,0,0|2,1,0]=4 641 B9R1.8 SCCc1ncccn1 Amb33270002 [1,0,0,0,0,0|2,1,0]=4 642 B9R1.8 SSCc1ccccc1 Amb27646980 [1,0,0,0,0,0|1,1,0]=3 643 B9R1.8 [C-]#[N+]Cc1ccccc1 Amb2234859 [1,0,0,0,0,0|1,0,1]=3 644 B9R1.8 [C-]#[N+]Cc1ccccn1 Amb1981098 [1,0,0,0,0,0|2,0,1]=4 645 B9R1.8 [C-]#[N+]Cc1cccnc1 Amb1981058 [1,0,0,0,0,0|2,0,1]=4 646 B9R1.8 [C-]#[N+]Cc1ccncc1 Amb1981059 [1,0,0,0,0,0|2,0,1]=4 647 B9R1.8 [N-]=[N+]=Cc1ccccc1 Amb15692850 [1,0,0,0,0,0|2,0,1]=4 648 B9R1.8 [N-]=[N+]=Nc1ccccc1 Amb6892570 [1,0,0,0,0,0|3,0,0]=4 649 B9R1.8 [NH3+]CCc1ccccc1 Amb17843435 [1,0,0,0,0,0|1,0,0]=2 650 B9R1.8 [NH3+]OCc1ccccc1 Amb9786371 [1,0,0,0,0,0|2,0,0]=3 651 B9R1.8 [O-][N+]#Cc1ccccc1 Amb25951967 [1,0,0,0,0,0|1,0,2]=4 652 B11R1.1 BrCC#Cc1ccc(Br)cc1 Amb25704336 [0,1,0,0,0,0|1,0,2]=4 653 B11R1.1 BrCC#Cc1ccc(I)cc1 Amb28241124 [0,1,0,0,0,0|1,0,2]=4 654 B11R1.1 BrCCCc1ccc(Br)cc1 Amb17104577 [0,1,0,0,0,0|1,0,0]=2 655 B11R1.1 BrCCCc1ccc(Br)cn1 Amb27945717 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.1 BrCCCc1ccc(Br)nc1 Amb27946967 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.1 BrCCCc1ccc(I)cc1 Amb25083701 [0,1,0,0,0,0|1,0,0]=2 658 B11R1.1 BrCCCc1ncc(Br)cn1 Amb33335112 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.1 BrCCOc1ccc(Br)cc1 Amb1106775 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.1 BrCCOc1ccc(Br)nc1 Amb25716754 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.1 BrCCOc1ccc(I)cc1 Amb602656 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.1 BrCCSc1ccc(Br)cn1 Amb27229876 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.1 BrC\C=C\c1ccc(Br)cc1 Amb28388511 [0,1,0,0,0,0|1,0,2]=4 664 B11R1.1 Brc1ccc(C#CCI)cc1 Amb25891603 [0,1,0,0,0,0|1,0,2]=4 665 B11R1.1 Brc1ccc(OCCI)cc1 Amb28365441 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.1 C#CCCc1ccc(Br)cc1 Amb18116967 [0,1,0,0,0,0|1,0,1]=3 667 B11R1.1 C#CCCc1ccc(Br)cn1 Amb33477440 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.1 C#CCCc1ccc(Br)nc1 Amb33388855 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.1 C#CCCc1ccc(C)cc1 Amb18634818 [0,1,0,0,0,0|1,0,1]=3 670 B11R1.1 C#CCCc1ccc(C)cn1 Amb33225981 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.1 C#CCCc1ccc(C)nc1 Amb32877404 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.1 C#CCCc1ccc(Cl)cc1 Amb18116815 [0,1,0,0,0,0|1,0,1]=3 673 B11R1.1 C#CCCc1ccc(Cl)cn1 Amb33058814 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.1 C#CCCc1ccc(Cl)nc1 Amb33261599 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.1 C#CCCc1ccc(F)cc1 Amb18116891 [0,1,0,0,0,0|1,0,1]=3 676 B11R1.1 C#CCCc1ccc(F)cn1 Amb33315559 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.1 C#CCCc1ccc(F)nc1 Amb33425484 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.1 C#CCCc1ccc(O)cc1 Amb26053114 [0,1,0,0,0,0|1,0,1]=3 679 B11R1.1 C#CCNc1ccc(Br)cc1 Amb27403970 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.1 C#CCNc1ccc(C)cc1 Amb21953776 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.1 C#CCNc1ccc(C)cc1 Amb33529603 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.1 C#CCNc1ccc(Cl)cc1 Amb33330127 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.1 C#CCNc1ccc(Cl)cc1 Amb4148888 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.1 C#CCNc1ccc(F)cc1 Amb24070273 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.1 C#CCNc1ccc(F)cc1 Amb33330129 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.1 C#CCOc1ccc(Br)cc1 Amb33532765 [0,1,0,0,0,0|2,0,1]=4 687 B11R1.1 C#CCOc1ccc(C)cc1 Amb19373357 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.1 C#CCOc1ccc(Cl)cc1 Amb5722320 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.1 C#CCOc1ccc(F)cc1 Amb18182727 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.1 C#CCOc1ccc(I)cc1 Amb24476574 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.1 C#CCOc1ccc(N)cc1 Amb13783679 [0,1,0,0,0,0|2,0,1]=4 692 B11R1.1 C#CCOc1ccc(N)cc1 Amb22587338 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.1 C#CCSc1ccc(Cl)cc1 Amb3836119 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.1 C#CCSc1ccc(F)cc1 Amb18801035 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.1 C#CCSc1ccc(O)cc1 Amb18792578 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.1 C=CCCc1ccc(Br)cc1 Amb6298956 [0,1,0,0,0,0|1,0,1]=3 697 B11R1.1 C=CCCc1ccc(C)cc1 Amb6299000 [0,1,0,0,0,0|1,0,1]=3 698 B11R1.1 C=CCCc1ccc(C)nc1 Amb35715634 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.1 C=CCCc1ccc(F)cc1 Amb2721507 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.1 C=CCCc1ccc(O)cc1 Amb25249578 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.1 C=CCNc1ccc(Br)cc1 Amb17306795 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.1 C=CCNc1ccc(C)cc1 Amb17306868 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.1 C=CCNc1ccc(F)cc1 Amb17306180 [0,1,0,0,0,0|2,0,1]=4 704 B11R1.1 C=CCNc1ccc(I)cc1 Amb17306247 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.1 C=CCNc1ccc(N)cc1 Amb18991898 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.1 C=CCOc1ccc(Br)cc1 Amb5722388 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.1 C=CCOc1ccc(C)cc1 Amb3940652 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.1 C=CCOc1ccc(Cl)cc1 Amb17933920 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.1 C=CCOc1ccc(F)cc1 Amb27214032 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.1 C=CCOc1ccc(I)cc1 Amb25699607 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.1 C=CCOc1ccc(N)cc1 Amb2592767 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.1 C=CCOc1ccc(N)cc1 Amb6541454 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.1 C=CCOc1ccc(O)cc1 Amb2612084 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.1 C=CCSc1ccc(Br)cc1 Amb4013518 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.1 C=CCSc1ccc(C)cc1 Amb3836102 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.1 C=CCSc1ccc(Cl)cc1 Amb3836125 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.1 C=CCSc1ccc(F)cc1 Amb24615573 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.1 C=CCSc1ccc(O)cc1 Amb8394315 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.1 C=COCc1ccc(Br)cc1 Amb28046575 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.1 C=COCc1ccc(Cl)cc1 Amb27976232 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.1 CCC#Cc1ccc(Br)cc1 Amb25891498 [0,1,0,0,0,0|1,0,2]=4 722 B11R1.1 CCC#Cc1ccc(C)cc1 Amb27855532 [0,1,0,0,0,0|1,0,2]=4 723 B11R1.1 CCC#Cc1ccc(Cl)cc1 Amb26578625 [0,1,0,0,0,0|1,0,2]=4 724 B11R1.1 CCC#Cc1ccc(F)cc1 Amb24730740 [0,1,0,0,0,0|1,0,2]=4 725 B11R1.1 CCC#Cc1ccc(I)cc1 Amb26996265 [0,1,0,0,0,0|1,0,2]=4 726 B11R1.1 CCC#Cc1ccc(N)cc1 Amb27960909 [0,1,0,0,0,0|1,0,2]=4 727 B11R1.1 CCC#Cc1ccc(O)cc1 Amb26631449 [0,1,0,0,0,0|1,0,2]=4 728 B11R1.1 CCCCC1=CNC(=O)C=N1 Amb24501761 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.1 CCCCC1=NNC(=O)C=C1 Amb25791568 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.1 CCCC[n+]1ccc(C)cc1 Amb22350531 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.1 CCCC[n+]1ccc(C)cc1 Amb22350545 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.1 CCCC[n+]1ccc(C)cc1 Amb22353653 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.1 CCCC[n+]1ccc(C)cc1 Amb9825673 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.1 CCCCc1ccc(Br)cc1 Amb3939176 [0,1,0,0,0,0|1,0,0]=2 735 B11R1.1 CCCCc1ccc(C)cc1 Amb22002059 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.1 CCCCc1ccc(Cl)cc1 Amb6365908 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.1 CCCCc1ccc(Cl)nn1 Amb30982148 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.1 CCCCc1ccc(F)cc1 Amb22730516 [0,1,0,0,0,0|1,0,0]=2 739 B11R1.1 CCCCc1ccc(I)cc1 Amb2726236 [0,1,0,0,0,0|1,0,0]=2 740 B11R1.1 CCCCc1ccc(N)cc1 Amb2721121 [0,1,0,0,0,0|1,0,0]=2 741 B11R1.1 CCCCc1ccc(N)cn1 Amb26866351 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.1 CCCCc1ccc(N)nc1 Amb26477797 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.1 CCCCc1ccc(O)cc1 Amb2778508 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.1 CCCCc1ccc(O)cn1 Amb25831110 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.1 CCCCc1ccc(S)cc1 Amb2685702 [0,1,0,0,0,0|1,0,0]=2 746 B11R1.1 CCCCc1cnc(C)cn1 Amb27783861 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.1 CCCCc1cnc(Cl)cn1 Amb24561022 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.1 CCCCc1cnc(N)nc1 Amb24061340 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.1 CCCCc1ncc(Cl)cn1 Amb27624914 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.1 CCCCc1ncc(N)cn1 Amb18560900 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.1 CCCNC1=CNC(=O)C=C1 Amb28045138 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.1 CCCNc1ccc(Br)cc1 Amb29083384 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.1 CCCNc1ccc(Br)cc1 Amb4313508 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.1 CCCNc1ccc(Br)cn1 Amb6629917 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.1 CCCNc1ccc(Br)nc1 Amb27201574 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.1 CCCNc1ccc(C)cc1 Amb4313501 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.1 CCCNc1ccc(C)cn1 Amb6636195 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.1 CCCNc1ccc(Cl)cc1 Amb19407162 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.1 CCCNc1ccc(Cl)cc1 Amb4313503 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.1 CCCNc1ccc(F)cc1 Amb4313509 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.1 CCCNc1ccc(F)cn1 Amb18975389 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.1 CCCNc1ccc(I)cc1 Amb7784946 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.1 CCCNc1ccc(N)cn1 Amb1113758 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.1 CCCNc1ccc(N)nc1 Amb7767448 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.1 CCCOc1ccc(Br)cc1 Amb3428588 [0,1,0,0,0,0|2,0,0]=3 766 B11R1.1 CCCOc1ccc(Br)cn1 Amb19959351 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.1 CCCOc1ccc(Br)nc1 Amb20617679 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.1 CCCOc1ccc(C)cc1 Amb26409646 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.1 CCCOc1ccc(Cl)cc1 Amb25126411 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.1 CCCOc1ccc(Cl)nc1 Amb28350575 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.1 CCCOc1ccc(F)nc1 Amb27656878 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.1 CCCOc1ccc(N)cc1 Amb1125044 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.1 CCCOc1ccc(N)cc1 Amb32409662 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.1 CCCOc1ccc(N)cn1 Amb8874533 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.1 CCCOc1ccc(N)nc1 Amb8874527 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.1 CCCOc1ccc(O)cc1 Amb1810008 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.1 CCCOc1ccc(O)cn1 Amb28344035 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.1 CCCOc1ccc(S)cc1 Amb25225762 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.1 CCCSc1ccc(Br)cc1 Amb28184382 [0,1,0,0,0,0|2,0,0]=3 780 B11R1.1 CCCSc1ccc(C)cc1 Amb4035211 [0,1,0,0,0,0|2,0,0]=3 781 B11R1.1 CCCSc1ccc(Cl)cc1 Amb27466470 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.1 CCCSc1ccc(F)cc1 Amb28365659 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.1 CCCSc1ccc(N)cc1 Amb22588114 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.1 CCCSc1ccc(N)cc1 Amb6680313 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.1 CCCSc1ccc(N)cn1 Amb6680309 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.1 CCCSc1ccc(N)nc1 Amb6680319 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.1 CCCSc1ccc(O)cc1 Amb18180159 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.1 CCCSc1ccc(S)cc1 Amb24362640 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.1 CCNCc1ccc(Br)cc1 Amb6864710 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.1 CCNCc1ccc(Br)cc1 Amb837745 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.1 CCNCc1ccc(Br)cn1 Amb19000786 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.1 CCNCc1ccc(Br)nc1 Amb20618628 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.1 CCNCc1ccc(C)cc1 Amb32667090 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.1 CCNCc1ccc(C)cc1 Amb837583 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.1 CCNCc1ccc(C)nc1 Amb29848184 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.1 CCNCc1ccc(C)nc1 Amb8853718 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.1 CCNCc1ccc(Cl)cc1 Amb6542591 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.1 CCNCc1ccc(Cl)cc1 Amb837762 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.1 CCNCc1ccc(Cl)nc1 Amb20618619 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.1 CCNCc1ccc(Cl)nc1 Amb21988425 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.1 CCNCc1ccc(Cl)nc1 Amb22265398 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.1 CCNCc1ccc(F)cc1 Amb6864711 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.1 CCNCc1ccc(F)cc1 Amb838198 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.1 CCNCc1ccc(O)cc1 Amb13952053 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.1 CCNCc1ccc(O)cc1 Amb6257941 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.1 CCNCc1ccc(S)cc1 Amb27952729 [0,1,0,0,0,0|2,0,0]=3 807 B11R1.1 CCOCc1ccc(Br)cc1 Amb19415022 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.1 CCOCc1ccc(C)cc1 Amb33733834 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.1 CCOCc1ccc(Cl)cc1 Amb25977812 [0,1,0,0,0,0|2,0,0]=3 810 B11R1.1 CCOCc1ccc(Cl)nc1 Amb6250703 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.1 CCOCc1ccc(F)cc1 Amb30594745 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.1 CCOCc1ccc(N)cc1 Amb1125782 [0,1,0,0,0,0|2,0,0]=3 813 B11R1.1 CCOCc1ccc(N)cn1 Amb35605374 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.1 CCOCc1ccc(N)nc1 Amb18295807 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.1 CCOCc1ccc(O)cc1 Amb18125402 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.1 CCSCc1ccc(Br)cc1 Amb25684606 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.1 CCSCc1ccc(Br)cn1 Amb28182557 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.1 CCSCc1ccc(C)cc1 Amb24536616 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.1 CCSCc1ccc(Cl)cc1 Amb24402210 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.1 CCSCc1ccc(F)cc1 Amb24486978 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.1 CCSCc1ccc(N)cc1 Amb6680506 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.1 CCSCc1ccc(N)cn1 Amb35588881 [0,1,0,0,0,0|3,0,0]=4 823 B11R1.1 CC\C=C/c1ccc(F)cc1 Amb24725207 [0,1,0,0,0,0|1,0,2]=4 824 B11R1.1 CC\C=C\c1ccc(Br)cc1 Amb26968483 [0,1,0,0,0,0|1,0,2]=4 825 B11R1.1 CC\N=C\c1ccc(O)cc1 Amb3777289 [0,1,0,0,0,0|2,0,1]=4 826 B11R1.1 CNCCc1ccc(Br)cc1 Amb9214717 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.1 CNCCc1ccc(Br)cn1 Amb26912040 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.1 CNCCc1ccc(Br)nc1 Amb33387712 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.1 CNCCc1ccc(C)cc1 Amb8853647 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.1 CNCCc1ccc(C)cn1 Amb18125195 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.1 CNCCc1ccc(C)nc1 Amb26888747 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.1 CNCCc1ccc(Cl)cc1 Amb32789565 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.1 CNCCc1ccc(Cl)cc1 Amb5785545 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.1 CNCCc1ccc(Cl)cn1 Amb28369544 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.1 CNCCc1ccc(Cl)nc1 Amb33261516 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.1 CNCCc1ccc(F)cc1 Amb33483732 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.1 CNCCc1ccc(F)cc1 Amb5785548 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.1 CNCCc1ccc(F)cn1 Amb26958172 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.1 CNCCc1ccc(F)nc1 Amb25869882 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.1 CNCCc1ccc(N)cc1 Amb18290354 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.1 CNCCc1ccc(O)cc1 Amb15690577 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.1 CNCCc1ccc(O)cc1 Amb2698071 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.1 COCC[n+]1ccc(C)cc1 Amb27178652 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.1 COCCc1ccc(Br)cc1 Amb6257601 [0,1,0,0,0,0|2,0,0]=3 845 B11R1.1 COCCc1ccc(Br)cn1 Amb27589014 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.1 COCCc1ccc(Cl)cc1 Amb24118075 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.1 COCCc1ccc(N)cc1 Amb1139224 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.1 COCCc1ccc(N)cc1 Amb33551018 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.1 COCCc1ccc(O)cc1 Amb3939657 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.1 COCOc1ccc(Br)cc1 Amb22001005 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.1 COCOc1ccc(Cl)cc1 Amb26860995 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.1 COCOc1ccc(F)cc1 Amb22546791 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.1 COCOc1ccc(I)cc1 Amb26900030 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.1 COCOc1ccc(N)cc1 Amb33547964 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.1 COCOc1ccc(O)cc1 Amb25268752 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.1 COCSc1ccc(Br)cc1 Amb24473100 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.1 CONCc1ccc(Br)cc1 Amb25151171 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.1 CONCc1ccc(Cl)cc1 Amb27860837 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.1 CONCc1ccc(F)cc1 Amb26495017 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.1 CSCCc1ccc(Br)cn1 Amb27867853 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.1 CSCCc1ccc(C)cc1 Amb27404222 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.1 CSCCc1ccc(N)cc1 Amb18971649 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.1 CSCSc1ccc(O)cc1 Amb27762489 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.1 C[n+]1ccc(CCCO)cc1 Amb8394811 [0,1,0,0,0,0|1,0,0]=2 865 B11R1.1 C[n+]1ccc(NCCN)cc1 Amb28245279 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.1 C\C=C\Cc1ccc(N)cc1 Amb22751067 [0,1,0,0,0,0|1,0,2]=4 867 B11R1.1 C\C=C\Cc1ccc(O)cc1 Amb18124917 [0,1,0,0,0,0|1,0,2]=4 868 B11R1.1 Cc1ccc(C#CCBr)cc1 Amb28285617 [0,1,0,0,0,0|1,0,2]=4 869 B11R1.1 Cc1ccc(C#CCCl)cc1 Amb18792612 [0,1,0,0,0,0|1,0,2]=4 870 B11R1.1 Cc1ccc(C#CCN)cc1 Amb18281200 [0,1,0,0,0,0|1,0,2]=4 871 B11R1.1 Cc1ccc(C#CCO)cc1 Amb33535072 [0,1,0,0,0,0|0,0,2]=3 872 B11R1.1 Cc1ccc(C#CCO)nc1 Amb27255237 [0,1,0,0,0,0|1,0,2]=4 873 B11R1.1 Cc1ccc(CCC#N)cc1 Amb17204297 [0,1,0,0,0,0|1,0,1]=3 874 B11R1.1 Cc1ccc(CCC#N)cn1 Amb33345369 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.1 Cc1ccc(CCC#N)nc1 Amb18124806 [0,1,0,0,0,0|2,0,1]=4 876 B11R1.1 Cc1ccc(CCC=O)cc1 Amb5411454 [0,1,0,0,0,0|0,0,2]=3 877 B11R1.1 Cc1ccc(CCC=O)cn1 Amb28124472 [0,1,0,0,0,0|1,0,2]=4 878 B11R1.1 Cc1ccc(CCCBr)cc1 Amb17104554 [0,1,0,0,0,0|1,0,0]=2 879 B11R1.1 Cc1ccc(CCCBr)cn1 Amb25910751 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.1 Cc1ccc(CCCBr)nc1 Amb33336287 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.1 Cc1ccc(CCCCl)cc1 Amb17104527 [0,1,0,0,0,0|1,0,0]=2 882 B11R1.1 Cc1ccc(CCCN)cc1 Amb844761 [0,1,0,0,0,0|1,0,0]=2 883 B11R1.1 Cc1ccc(CCCN)cn1 Amb25069217 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.1 Cc1ccc(CCCN)nc1 Amb25348517 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.1 Cc1ccc(CCCO)cc1 Amb3372062 [0,1,0,0,0,0|0,0,0]=1 886 B11R1.1 Cc1ccc(CCCO)cn1 Amb24533220 [0,1,0,0,0,0|1,0,0]=2 887 B11R1.1 Cc1ccc(CCCO)nc1 Amb25073187 [0,1,0,0,0,0|1,0,0]=2 888 B11R1.1 Cc1ccc(CCCS)cc1 Amb17400220 [0,1,0,0,0,0|0,1,0]=2 889 B11R1.1 Cc1ccc(CCCS)cn1 Amb32877089 [0,1,0,0,0,0|1,1,0]=3 890 B11R1.1 Cc1ccc(CCCS)nc1 Amb33198012 [0,1,0,0,0,0|1,1,0]=3 891 B11R1.1 Cc1ccc(CCNN)cc1 Amb8842845 [0,1,0,0,0,0|2,0,0]=3 892 B11R1.1 Cc1ccc(CCON)cc1 Amb33373961 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.1 Cc1ccc(CCON)cn1 Amb32877859 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.1 Cc1ccc(CCON)nc1 Amb33198807 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.1 Cc1ccc(CC[Mg]Br)cc1 Amb6300498 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.1 Cc1ccc(CN=C=O)cc1 Amb3939296 [0,1,0,0,0,0|1,0,2]=4 897 B11R1.1 Cc1ccc(CN=C=S)cc1 Amb6565408 [0,1,0,0,0,0|1,1,1]=4 898 B11R1.1 Cc1ccc(CN=[N+]=[N-])cc1 Amb8938152 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.1 Cc1ccc(CNC#N)cc1 Amb16186976 [0,1,0,0,0,0|2,0,1]=4 900 B11R1.1 Cc1ccc(CNC=O)cc1 Amb1916037 [0,1,0,0,0,0|1,0,2]=4 901 B11R1.1 Cc1ccc(COCCl)cc1 Amb27833050 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.1 Cc1ccc(CSC#N)cc1 Amb19944266 [0,1,0,0,0,0|2,0,1]=4 903 B11R1.1 Cc1ccc(C[Se]C#N)cc1 Amb17779544 [0,1,0,0,0,0|2,0,1]=4 904 B11R1.1 Cc1ccc(NCC#N)cc1 Amb363741 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.1 Cc1ccc(NCCCl)cc1 Amb17334787 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.1 Cc1ccc(NCCN)cc1 Amb17057746 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.1 Cc1ccc(NCCN)nc1 Amb33548417 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.1 Cc1ccc(NCCN)nc1 Amb6265998 [0,1,0,0,0,0|3,0,0]=4 909 B11R1.1 Cc1ccc(NCCO)cc1 Amb2721832 [0,1,0,0,0,0|1,0,0]=2 910 B11R1.1 Cc1ccc(NCCO)nc1 Amb6644779 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.1 Cc1ccc(NCCO)nn1 Amb18975347 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.1 Cc1ccc(OCC#N)cc1 Amb4017041 [0,1,0,0,0,0|2,0,1]=4 913 B11R1.1 Cc1ccc(OCC=O)cc1 Amb5731821 [0,1,0,0,0,0|1,0,2]=4 914 B11R1.1 Cc1ccc(OCCBr)cc1 Amb1397755 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.1 Cc1ccc(OCCBr)cn1 Amb32988375 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.1 Cc1ccc(OCCBr)nc1 Amb32685036 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.1 Cc1ccc(OCCCl)cc1 Amb5559280 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.1 Cc1ccc(OCCCl)nc1 Amb32685035 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.1 Cc1ccc(OCCF)cn1 Amb28284620 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.1 Cc1ccc(OCCN)cc1 Amb1101721 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.1 Cc1ccc(OCCN)cn1 Amb18992842 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.1 Cc1ccc(OCCN)nc1 Amb18296482 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.1 Cc1ccc(OCCO)cc1 Amb2209347 [0,1,0,0,0,0|1,0,0]=2 924 B11R1.1 Cc1ccc(OCCO)cn1 Amb23455913 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.1 Cc1ccc(OCCO)nc1 Amb26655226 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.1 Cc1ccc(OCCS)cc1 Amb6261684 [0,1,0,0,0,0|1,1,0]=3 927 B11R1.1 Cc1ccc(OCC[NH3+])cc1 Amb3986072 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.1 Cc1ccc(SCC#N)cc1 Amb2726052 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.1 Cc1ccc(SCC=O)cc1 Amb17082904 [0,1,0,0,0,0|1,0,2]=4 930 B11R1.1 Cc1ccc(SCCBr)cc1 Amb6271838 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.1 Cc1ccc(SCCCl)cc1 Amb1657286 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.1 Cc1ccc(SCCN)cc1 Amb3358619 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.1 Cc1ccc(SCCN)cc1 Amb6388803 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.1 Cc1ccc(SCCO)cc1 Amb3939497 [0,1,0,0,0,0|1,0,0]=2 935 B11R1.1 Cc1ccc(SCCS)cc1 Amb13881735 [0,1,0,0,0,0|1,1,0]=3 936 B11R1.1 Cc1ccc(\C=C\CCl)cc1 Amb26620547 [0,1,0,0,0,0|1,0,2]=4 937 B11R1.1 Cc1ccc(\C=C\CN)cc1 Amb18563249 [0,1,0,0,0,0|1,0,2]=4 938 B11R1.1 Cc1ccc(\C=C\CO)cc1 Amb23442829 [0,1,0,0,0,0|0,0,2]=3 939 B11R1.1 Cc1ccc(\C=C\CO)cn1 Amb33359222 [0,1,0,0,0,0|1,0,2]=4 940 B11R1.1 Cc1ccc(\C=C\CO)nc1 Amb33359294 [0,1,0,0,0,0|1,0,2]=4 941 B11R1.1 Cc1ccc(\C=N\CO)cc1 Amb27598320 [0,1,0,0,0,0|1,0,1]=3 942 B11R1.1 Cc1cnc(CCCBr)cn1 Amb33387056 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.1 Cc1cnc(CCCN)cn1 Amb18201571 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.1 Cc1cnc(CCCN)nc1 Amb24477627 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.1 Cc1cnc(CCCO)cn1 Amb33376979 [0,1,0,0,0,0|2,0,0]=3 946 B11R1.1 Cc1cnc(CCCS)cn1 Amb33376934 [0,1,0,0,0,0|2,1,0]=4 947 B11R1.1 Cc1cnc(SCCO)nc1 Amb18180265 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.1 Cc1ncc(CCCN)cn1 Amb18201573 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.1 ClCC#Cc1ccc(Br)cc1 Amb35656652 [0,1,0,0,0,0|1,0,2]=4 950 B11R1.1 ClCC#Cc1ccc(Cl)cc1 Amb18319781 [0,1,0,0,0,0|1,0,2]=4 951 B11R1.1 ClCC#Cc1ccc(I)cc1 Amb26622201 [0,1,0,0,0,0|1,0,2]=4 952 B11R1.1 ClCCCc1ccc(Br)cc1 Amb17104549 [0,1,0,0,0,0|1,0,0]=2 953 B11R1.1 ClCCCc1ccc(Br)cn1 Amb25891857 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.1 ClCCCc1ccc(Cl)cc1 Amb3429107 [0,1,0,0,0,0|1,0,0]=2 955 B11R1.1 ClCCCc1ccc(Cl)cn1 Amb32690843 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.1 ClCCCc1ccc(I)cc1 Amb27163564 [0,1,0,0,0,0|1,0,0]=2 957 B11R1.1 ClCCCc1cnc(Cl)nc1 Amb27261580 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.1 ClCCNc1ccc(Br)cc1 Amb17346195 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.1 ClCCNc1ccc(Cl)cc1 Amb17336182 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.1 ClCCOc1ccc(Br)cc1 Amb8827992 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.1 ClCCOc1ccc(Br)cn1 Amb27229095 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.1 ClCCOc1ccc(Cl)cc1 Amb8627758 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.1 ClCCOc1ccc(I)cc1 Amb9211195 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.1 ClCCSc1ccc(Br)cc1 Amb8995012 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.1 ClCCSc1ccc(Cl)cc1 Amb1154201 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.1 ClCOCc1ccc(Cl)cc1 Amb28458528 [0,1,0,0,0,0|2,0,0]=3 967 B11R1.1 ClCSCc1ccc(Cl)cc1 Amb25704966 [0,1,0,0,0,0|2,0,0]=3 968 B11R1.1 ClC\C=C\c1ccc(Br)cc1 Amb21926649 [0,1,0,0,0,0|1,0,2]=4 969 B11R1.1 Clc1ccc(C#CCBr)cc1 Amb24384136 [0,1,0,0,0,0|1,0,2]=4 970 B11R1.1 Clc1ccc(C#CCI)cc1 Amb25353537 [0,1,0,0,0,0|1,0,2]=4 971 B11R1.1 Clc1ccc(CCCBr)cc1 Amb17104562 [0,1,0,0,0,0|1,0,0]=2 972 B11R1.1 Clc1ccc(CCCBr)cn1 Amb33388745 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.1 Clc1ccc(CCCBr)nc1 Amb32690844 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.1 Clc1ccc(CC[Mg]Br)cc1 Amb6300494 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.1 Clc1ccc(OCCBr)cc1 Amb1151965 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.1 Clc1ccc(OCCBr)cn1 Amb27166298 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.1 Clc1ccc(OCCI)cc1 Amb25833023 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.1 Clc1ccc(SCCBr)cc1 Amb6277932 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.1 Clc1ccc(\C=C\CBr)cc1 Amb22007806 [0,1,0,0,0,0|1,0,2]=4 980 B11R1.1 Clc1cnc(CCCBr)cn1 Amb33334494 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.1 FCC#Cc1ccc(Br)cc1 Amb27169324 [0,1,0,0,0,0|1,0,2]=4 982 B11R1.1 FCC#Cc1ccc(Cl)cc1 Amb25825390 [0,1,0,0,0,0|1,0,2]=4 983 B11R1.1 FCC#Cc1ccc(F)cc1 Amb28041433 [0,1,0,0,0,0|1,0,2]=4 984 B11R1.1 FCC#Cc1ccc(I)cc1 Amb25353811 [0,1,0,0,0,0|1,0,2]=4 985 B11R1.1 FCCNc1ccc(Br)cc1 Amb27960248 [0,1,0,0,0,0|2,0,0]=3 986 B11R1.1 FCCNc1ccc(Cl)cn1 Amb27768120 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.1 FCCOc1ccc(Br)cc1 Amb22227902 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.1 FCCOc1ccc(Br)nc1 Amb27823487 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.1 FCCOc1ccc(Cl)nc1 Amb27449157 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.1 FCCOc1ccc(I)cc1 Amb22227565 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.1 FCCOc1ccc(I)nc1 Amb27852981 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.1 FCCOc1ccc(S)cc1 Amb23580141 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.1 FCCSc1ccc(Br)cc1 Amb28125377 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.1 FCCSc1ccc(Cl)cn1 Amb27829222 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.1 Fc1ccc(C#CCBr)cc1 Amb25737916 [0,1,0,0,0,0|1,0,2]=4 996 B11R1.1 Fc1ccc(C#CCCl)cc1 Amb18180184 [0,1,0,0,0,0|1,0,2]=4 997 B11R1.1 Fc1ccc(CCCBr)cc1 Amb17104556 [0,1,0,0,0,0|1,0,0]=2 998 B11R1.1 Fc1ccc(CCCBr)cn1 Amb33333192 [0,1,0,0,0,0|2,0,0]=3 999 B11R1.1 Fc1ccc(CCCBr)nc1 Amb33477021 [0,1,0,0,0,0|2,0,0]=3 1000 B11R1.1 Fc1ccc(CCCCl)cc1 Amb17104529 [0,1,0,0,0,0|1,0,0]=2 1001 B11R1.1 Fc1ccc(CCCS)cc1 Amb17400333 [0,1,0,0,0,0|0,1,0]=2 1002 B11R1.1 Fc1ccc(CCCS)cn1 Amb33425099 [0,1,0,0,0,0|1,1,0]=3 1003 B11R1.1 Fc1ccc(CCCS)nc1 Amb33315234 [0,1,0,0,0,0|1,1,0]=3 1004 B11R1.1 Fc1ccc(CC[Mg]Br)cc1 Amb6300496 [0,1,0,0,0,0|2,0,0]=3 1005 B11R1.1 Fc1ccc(CC[Zn]Br)cc1 Amb22000495 [0,1,0,0,0,0|2,0,0]=3 1006 B11R1.1 Fc1ccc(CN=C=S)cc1 Amb5750749 [0,1,0,0,0,0|1,1,1]=4 1007 B11R1.1 Fc1ccc(COCCl)cc1 Amb27436932 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.1 Fc1ccc(CSCCl)cc1 Amb27984824 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.1 Fc1ccc(NCCCl)cc1 Amb17334965 [0,1,0,0,0,0|2,0,0]=3 1010 B11R1.1 Fc1ccc(NCCS)cc1 Amb24545874 [0,1,0,0,0,0|1,1,0]=3 1011 B11R1.1 Fc1ccc(OCCBr)cc1 Amb1152775 [0,1,0,0,0,0|2,0,0]=3 1012 B11R1.1 Fc1ccc(OCCBr)cn1 Amb26613405 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.1 Fc1ccc(OCCCl)cc1 Amb8828433 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.1 Fc1ccc(OCCS)cc1 Amb17232868 [0,1,0,0,0,0|1,1,0]=3 1015 B11R1.1 Fc1ccc(SCCBr)cc1 Amb33532712 [0,1,0,0,0,0|2,0,0]=3 1016 B11R1.1 Fc1ccc(SCCCl)cc1 Amb426863 [0,1,0,0,0,0|2,0,0]=3 1017 B11R1.1 Fc1ccc(\C=C\CBr)cc1 Amb25923286 [0,1,0,0,0,0|1,0,2]=4 1018 B11R1.1 Fc1ccc(\C=C\CCl)cc1 Amb25074621 [0,1,0,0,0,0|1,0,2]=4 1019 B11R1.1 Fc1ccc(\C=C\CS)cc1 Amb33201386 [0,1,0,0,0,0|0,1,2]=4 1020 B11R1.1 ICC#Cc1ccc(I)cc1 Amb27600694 [0,1,0,0,0,0|1,0,2]=4 1021 B11R1.1 ICCOc1ccc(I)cc1 Amb28074249 [0,1,0,0,0,0|2,0,0]=3 1022 B11R1.1 N#CCCN1C=CC(=O)C=C1 Amb18039989 [0,1,0,0,0,0|2,0,1]=4 1023 B11R1.1 N#CCCc1cc[n+]([O-])cc1 Amb28342622 [0,1,0,0,0,0|2,0,1]=4 1024 B11R1.1 N#CCCc1ccc(Br)cc1 Amb2685460 [0,1,0,0,0,0|1,0,1]=3 1025 B11R1.1 N#CCCc1ccc(Br)cn1 Amb26329257 [0,1,0,0,0,0|2,0,1]=4 1026 B11R1.1 N#CCCc1ccc(Br)nc1 Amb33389434 [0,1,0,0,0,0|2,0,1]=4 1027 B11R1.1 N#CCCc1ccc(Cl)cc1 Amb2686407 [0,1,0,0,0,0|1,0,1]=3 1028 B11R1.1 N#CCCc1ccc(Cl)cn1 Amb33053158 [0,1,0,0,0,0|2,0,1]=4 1029 B11R1.1 N#CCCc1ccc(Cl)nc1 Amb33261571 [0,1,0,0,0,0|2,0,1]=4 1030 B11R1.1 N#CCCc1ccc(F)cc1 Amb17204299 [0,1,0,0,0,0|1,0,1]=3 1031 B11R1.1 N#CCCc1ccc(F)cn1 Amb32953674 [0,1,0,0,0,0|2,0,1]=4 1032 B11R1.1 N#CCCc1ccc(F)nc1 Amb33426563 [0,1,0,0,0,0|2,0,1]=4 1033 B11R1.1 N#CCCc1ccc(I)cc1 Amb25785381 [0,1,0,0,0,0|1,0,1]=3 1034 B11R1.1 N#CCCc1ccc(N)cc1 Amb26509671 [0,1,0,0,0,0|1,0,1]=3 1035 B11R1.1 N#CCCc1ccc(O)cc1 Amb2688782 [0,1,0,0,0,0|1,0,1]=3 1036 B11R1.1 N#CCCc1ccc(S)cc1 Amb27634330 [0,1,0,0,0,0|1,0,1]=3 1037 B11R1.1 N#CCNc1ccc(Br)cc1 Amb33526942 [0,1,0,0,0,0|2,0,1]=4 1038 B11R1.1 N#CCNc1ccc(Cl)cc1 Amb32664421 [0,1,0,0,0,0|2,0,1]=4 1039 B11R1.1 N#CCNc1ccc(Cl)cc1 Amb33526938 [0,1,0,0,0,0|2,0,1]=4 1040 B11R1.1 N#CCNc1ccc(F)cc1 Amb33526944 [0,1,0,0,0,0|2,0,1]=4 1041 B11R1.1 N#CCNc1ccc(O)cc1 Amb3992192 [0,1,0,0,0,0|2,0,1]=4 1042 B11R1.1 N#CCOc1ccc(Br)cc1 Amb2761587 [0,1,0,0,0,0|2,0,1]=4 1043 B11R1.1 N#CCOc1ccc(Cl)cc1 Amb2725205 [0,1,0,0,0,0|2,0,1]=4 1044 B11R1.1 N#CCOc1ccc(F)cc1 Amb3428060 [0,1,0,0,0,0|2,0,1]=4 1045 B11R1.1 N#CCOc1ccc(I)cc1 Amb8830749 [0,1,0,0,0,0|2,0,1]=4 1046 B11R1.1 N#CCOc1ccc(N)cc1 Amb421709 [0,1,0,0,0,0|2,0,1]=4 1047 B11R1.1 N#CCOc1ccc(O)cc1 Amb33528797 [0,1,0,0,0,0|2,0,1]=4 1048 B11R1.1 N#CCSc1ccc(Cl)cc1 Amb1156063 [0,1,0,0,0,0|2,0,1]=4 1049 B11R1.1 N#CCSc1ccc(F)cc1 Amb1152494 [0,1,0,0,0,0|2,0,1]=4 1050 B11R1.1 N#CCSc1ccc(N)cc1 Amb8903896 [0,1,0,0,0,0|2,0,1]=4 1051 B11R1.1 N#CNCc1ccc(Cl)cc1 Amb16186974 [0,1,0,0,0,0|2,0,1]=4 1052 B11R1.1 N#CNCc1ccc(F)cc1 Amb16186972 [0,1,0,0,0,0|2,0,1]=4 1053 B11R1.1 N#CSCc1ccc(Br)cc1 Amb21959352 [0,1,0,0,0,0|2,0,1]=4 1054 B11R1.1 N#CSCc1ccc(Cl)cc1 Amb19889458 [0,1,0,0,0,0|2,0,1]=4 1055 B11R1.1 N#C[Se]Cc1ccc(Br)cc1 Amb17779550 [0,1,0,0,0,0|2,0,1]=4 1056 B11R1.1 N#C[Se]Cc1ccc(F)cc1 Amb17779547 [0,1,0,0,0,0|2,0,1]=4 1057 B11R1.1 NCC#Cc1ccc(Br)cc1 Amb18253475 [0,1,0,0,0,0|1,0,2]=4 1058 B11R1.1 NCC#Cc1ccc(Cl)cc1 Amb18950127 [0,1,0,0,0,0|1,0,2]=4 1059 B11R1.1 NCC#Cc1ccc(F)cc1 Amb18949804 [0,1,0,0,0,0|1,0,2]=4 1060 B11R1.1 NCC#Cc1ccc(I)cc1 Amb27602947 [0,1,0,0,0,0|1,0,2]=4 1061 B11R1.1 NCC#Cc1ccc(O)cc1 Amb26622440 [0,1,0,0,0,0|1,0,2]=4 1062 B11R1.1 NCCCN1C=CC(=O)C=C1 Amb18029471 [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.1 NCCCN1C=CC(=O)N=C1 Amb18201102 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.1 NCCCc1cc[n+]([O-])cc1 Amb25145870 [0,1,0,0,0,0|2,0,0]=3 1065 B11R1.1 NCCCc1ccc(Br)cc1 Amb9304905 [0,1,0,0,0,0|1,0,0]=2 1066 B11R1.1 NCCCc1ccc(Br)cn1 Amb26420926 [0,1,0,0,0,0|2,0,0]=3 1067 B11R1.1 NCCCc1ccc(Br)nc1 Amb24453424 [0,1,0,0,0,0|2,0,0]=3 1068 B11R1.1 NCCCc1ccc(Cl)cc1 Amb1092541 [0,1,0,0,0,0|1,0,0]=2 1069 B11R1.1 NCCCc1ccc(Cl)cc1 Amb13952055 [0,1,0,0,0,0|1,0,0]=2 1070 B11R1.1 NCCCc1ccc(Cl)cn1 Amb26843010 [0,1,0,0,0,0|2,0,0]=3 1071 B11R1.1 NCCCc1ccc(Cl)nc1 Amb25849321 [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.1 NCCCc1ccc(F)cc1 Amb28988628 [0,1,0,0,0,0|1,0,0]=2 1073 B11R1.1 NCCCc1ccc(F)cc1 Amb5400261 [0,1,0,0,0,0|1,0,0]=2 1074 B11R1.1 NCCCc1ccc(F)cn1 Amb33172702 [0,1,0,0,0,0|2,0,0]=3 1075 B11R1.1 NCCCc1ccc(F)nc1 Amb26622803 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.1 NCCCc1ccc(N)cc1 Amb17477693 [0,1,0,0,0,0|1,0,0]=2 1077 B11R1.1 NCCCc1ccc(N)cc1 Amb34913304 [0,1,0,0,0,0|1,0,0]=2 1078 B11R1.1 NCCCc1ccc(O)cc1 Amb2695306 [0,1,0,0,0,0|1,0,0]=2 1079 B11R1.1 NCCCc1ccc(O)cc1 Amb33548453 [0,1,0,0,0,0|1,0,0]=2 1080 B11R1.1 NCCCc1ccc(O)nc1 Amb26959474 [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.1 NCCCc1cnc(Cl)cn1 Amb26952069 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.1 NCCCc1cnc(N)nc1 Amb27396369 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.1 NCCCc1ncc(Br)cn1 Amb27656337 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.1 NCCCc1ncc(Cl)cn1 Amb33494216 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.1 NCCNC1=CNC(=O)C=C1 Amb27603162 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.1 NCCNc1ccc(Br)cc1 Amb17057752 [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.1 NCCNc1ccc(Br)cc1 Amb33802287 [0,1,0,0,0,0|2,0,0]=3 1088 B11R1.1 NCCNc1ccc(Br)cn1 Amb6257612 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.1 NCCNc1ccc(Br)cn1 Amb8631387 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.1 NCCNc1ccc(Cl)cc1 Amb17057751 [0,1,0,0,0,0|2,0,0]=3 1091 B11R1.1 NCCNc1ccc(Cl)cn1 Amb6259122 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.1 NCCNc1ccc(F)cc1 Amb17845075 [0,1,0,0,0,0|2,0,0]=3 1093 B11R1.1 NCCNc1ccc(F)cn1 Amb18291560 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.1 NCCNc1ccc(F)nc1 Amb27840149 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.1 NCCNc1ccc(I)cc1 Amb27478342 [0,1,0,0,0,0|2,0,0]=3 1096 B11R1.1 NCCNc1ccc(N)cc1 Amb18298668 [0,1,0,0,0,0|2,0,0]=3 1097 B11R1.1 NCCNc1ccc(N)cn1 Amb8332866 [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.1 NCCNc1ccc(O)cc1 Amb26372806 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.1 NCCNc1ccc(O)cc1 Amb33620334 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.1 NCCOc1ccc(Br)cc1 Amb1098668 [0,1,0,0,0,0|2,0,0]=3 1101 B11R1.1 NCCOc1ccc(Br)cc1 Amb19338687 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.1 NCCOc1ccc(Br)cn1 Amb18988876 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.1 NCCOc1ccc(Br)nc1 Amb33388870 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.1 NCCOc1ccc(Cl)cc1 Amb1153919 [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.1 NCCOc1ccc(Cl)cc1 Amb836282 [0,1,0,0,0,0|2,0,0]=3 1106 B11R1.1 NCCOc1ccc(Cl)cn1 Amb18988875 [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.1 NCCOc1ccc(Cl)cn1 Amb20631070 [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.1 NCCOc1ccc(Cl)nc1 Amb33261688 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.1 NCCOc1ccc(F)cc1 Amb1102015 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.1 NCCOc1ccc(F)cc1 Amb6760496 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.1 NCCOc1ccc(F)cc1 Amb8503394 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.1 NCCOc1ccc(F)cn1 Amb18296419 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.1 NCCOc1ccc(F)nc1 Amb33425112 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.1 NCCOc1ccc(I)cc1 Amb8838565 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.1 NCCOc1ccc(I)nc1 Amb24707119 [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.1 NCCOc1ccc(N)cc1 Amb23401881 [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.1 NCCOc1ccc(N)cc1 Amb6369536 [0,1,0,0,0,0|2,0,0]=3 1118 B11R1.1 NCCOc1ccc(N)cc1 Amb6878165 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.1 NCCOc1ccc(O)cc1 Amb18125536 [0,1,0,0,0,0|2,0,0]=3 1120 B11R1.1 NCCOc1ccc(O)cc1 Amb34913371 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.1 NCCSc1ccc(Br)cc1 Amb1105170 [0,1,0,0,0,0|2,0,0]=3 1122 B11R1.1 NCCSc1ccc(Br)cc1 Amb265577 [0,1,0,0,0,0|2,0,0]=3 1123 B11R1.1 NCCSc1ccc(Cl)cc1 Amb2236679 [0,1,0,0,0,0|2,0,0]=3 1124 B11R1.1 NCCSc1ccc(Cl)cc1 Amb6384759 [0,1,0,0,0,0|2,0,0]=3 1125 B11R1.1 NCCSc1ccc(Cl)cn1 Amb18252999 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.1 NCCSc1ccc(F)cc1 Amb3430826 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.1 NCCSc1ccc(F)cc1 Amb6256366 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.1 NCCSc1ccc(I)cc1 Amb25952689 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.1 NC\C=C\c1ccc(Br)cc1 Amb18066634 [0,1,0,0,0,0|1,0,2]=4 1130 B11R1.1 NC\C=C\c1ccc(Br)cc1 Amb30584648 [0,1,0,0,0,0|1,0,2]=4 1131 B11R1.1 NC\C=C\c1ccc(Cl)cc1 Amb18563824 [0,1,0,0,0,0|1,0,2]=4 1132 B11R1.1 NC\C=C\c1ccc(F)cc1 Amb18065348 [0,1,0,0,0,0|1,0,2]=4 1133 B11R1.1 NC\C=C\c1ccc(O)cc1 Amb33361954 [0,1,0,0,0,0|1,0,2]=4 1134 B11R1.1 NC\N=N\c1ccc(Br)cc1 Amb27257879 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.1 NNCCc1ccc(Br)cc1 Amb6243917 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.1 NNCCc1ccc(Cl)cc1 Amb6257002 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.1 NNCCc1ccc(F)cc1 Amb6245233 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.1 NNCCc1ccc(I)cc1 Amb27816617 [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.1 NNCCc1ccc(O)cc1 Amb27802782 [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.1 NOCCc1ccc(Br)cc1 Amb33241028 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.1 NOCCc1ccc(Br)cn1 Amb33478446 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.1 NOCCc1ccc(Br)nc1 Amb33388047 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.1 NOCCc1ccc(Cl)cc1 Amb28411635 [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.1 NOCCc1ccc(Cl)nc1 Amb33261550 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.1 NOCCc1ccc(F)cc1 Amb22896631 [0,1,0,0,0,0|2,0,0]=3 1146 B11R1.1 NOCCc1ccc(F)cn1 Amb33315870 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.1 NOCCc1ccc(F)nc1 Amb33426203 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.1 NOCCc1ccc(O)cc1 Amb25053130 [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.1 N\N=C\Cc1ccc(F)cc1 Amb27968899 [0,1,0,0,0,0|2,0,1]=4 1150 B11R1.1 Nc1ccc(C#CCBr)cc1 Amb25188870 [0,1,0,0,0,0|1,0,2]=4 1151 B11R1.1 Nc1ccc(C#CCCl)cc1 Amb26498093 [0,1,0,0,0,0|1,0,2]=4 1152 B11R1.1 Nc1ccc(C#CCF)cc1 Amb24554108 [0,1,0,0,0,0|1,0,2]=4 1153 B11R1.1 Nc1ccc(C#CCI)cc1 Amb26983008 [0,1,0,0,0,0|1,0,2]=4 1154 B11R1.1 Nc1ccc(C#CCO)cc1 Amb22228978 [0,1,0,0,0,0|0,0,2]=3 1155 B11R1.1 Nc1ccc(C#CCO)cn1 Amb26859433 [0,1,0,0,0,0|1,0,2]=4 1156 B11R1.1 Nc1ccc(CC#CO)cc1 Amb27662909 [0,1,0,0,0,0|0,0,2]=3 1157 B11R1.1 Nc1ccc(CCC=O)cc1 Amb27407356 [0,1,0,0,0,0|0,0,2]=3 1158 B11R1.1 Nc1ccc(CCCBr)cc1 Amb27751175 [0,1,0,0,0,0|1,0,0]=2 1159 B11R1.1 Nc1ccc(CCCCl)cc1 Amb17477708 [0,1,0,0,0,0|1,0,0]=2 1160 B11R1.1 Nc1ccc(CCCO)cc1 Amb17477700 [0,1,0,0,0,0|0,0,0]=1 1161 B11R1.1 Nc1ccc(CCCO)cn1 Amb27598007 [0,1,0,0,0,0|1,0,0]=2 1162 B11R1.1 Nc1ccc(CCCS)cc1 Amb29854940 [0,1,0,0,0,0|0,1,0]=2 1163 B11R1.1 Nc1ccc(CN=C=O)cc1 Amb28346898 [0,1,0,0,0,0|1,0,2]=4 1164 B11R1.1 Nc1ccc(C\C=C\Br)cc1 Amb27217330 [0,1,0,0,0,0|1,0,2]=4 1165 B11R1.1 Nc1ccc(NCC=O)cc1 Amb27607100 [0,1,0,0,0,0|1,0,2]=4 1166 B11R1.1 Nc1ccc(NCCO)cc1 Amb2715786 [0,1,0,0,0,0|1,0,0]=2 1167 B11R1.1 Nc1ccc(NCCO)cc1 Amb34913368 [0,1,0,0,0,0|1,0,0]=2 1168 B11R1.1 Nc1ccc(NCCO)cn1 Amb7768137 [0,1,0,0,0,0|2,0,0]=3 1169 B11R1.1 Nc1ccc(NCCO)nc1 Amb24080718 [0,1,0,0,0,0|2,0,0]=3 1170 B11R1.1 Nc1ccc(NCCO)nc1 Amb7768146 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.1 Nc1ccc(NCCO)nn1 Amb27408724 [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.1 Nc1ccc(OCCBr)cc1 Amb20620461 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.1 Nc1ccc(OCCBr)cc1 Amb842416 [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.1 Nc1ccc(OCCF)cc1 Amb23579951 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.1 Nc1ccc(OCCO)cc1 Amb15740917 [0,1,0,0,0,0|1,0,0]=2 1176 B11R1.1 Nc1ccc(OCCO)cc1 Amb6702377 [0,1,0,0,0,0|1,0,0]=2 1177 B11R1.1 Nc1ccc(OCCO)cn1 Amb6680952 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.1 Nc1ccc(OCCO)nc1 Amb32992307 [0,1,0,0,0,0|2,0,0]=3 1179 B11R1.1 Nc1ccc(OCCO)nc1 Amb6680944 [0,1,0,0,0,0|2,0,0]=3 1180 B11R1.1 Nc1ccc(OCCS)cc1 Amb17504126 [0,1,0,0,0,0|1,1,0]=3 1181 B11R1.1 Nc1ccc(SCC=O)cc1 Amb30012112 [0,1,0,0,0,0|1,0,2]=4 1182 B11R1.1 Nc1ccc(SCCF)nc1 Amb27413275 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.1 Nc1ccc(SCCO)cc1 Amb8929761 [0,1,0,0,0,0|1,0,0]=2 1184 B11R1.1 Nc1ccc(SCCO)nc1 Amb8931856 [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.1 Nc1ccc(SCCO)nn1 Amb27863008 [0,1,0,0,0,0|3,0,0]=4 1186 B11R1.1 Nc1cnc(OCCO)nc1 Amb18290429 [0,1,0,0,0,0|3,0,0]=4 1187 B11R1.1 Nc1ncc(CCCBr)cn1 Amb27843686 [0,1,0,0,0,0|3,0,0]=4 1188 B11R1.1 Nc1ncc(CCCO)cn1 Amb22394981 [0,1,0,0,0,0|2,0,0]=3 1189 B11R1.1 O=C1C=CC(CCCO)OC1 Amb27410566 [0,1,0,0,0,0|1,0,2]=4 1190 B11R1.1 O=C=NCc1ccc(Br)cc1 Amb3939390 [0,1,0,0,0,0|1,0,2]=4 1191 B11R1.1 O=C=NCc1ccc(Cl)cc1 Amb5750718 [0,1,0,0,0,0|1,0,2]=4 1192 B11R1.1 O=C=NCc1ccc(F)cc1 Amb3939292 [0,1,0,0,0,0|1,0,2]=4 1193 B11R1.1 O=CCCc1ccc(Br)cc1 Amb10602155 [0,1,0,0,0,0|0,0,2]=3 1194 B11R1.1 O=CCCc1ccc(Br)cn1 Amb24704728 [0,1,0,0,0,0|1,0,2]=4 1195 B11R1.1 O=CCCc1ccc(Br)nc1 Amb33388882 [0,1,0,0,0,0|1,0,2]=4 1196 B11R1.1 O=CCCc1ccc(Cl)cc1 Amb33531051 [0,1,0,0,0,0|0,0,2]=3 1197 B11R1.1 O=CCCc1ccc(Cl)cn1 Amb26462754 [0,1,0,0,0,0|1,0,2]=4 1198 B11R1.1 O=CCCc1ccc(Cl)nc1 Amb33220658 [0,1,0,0,0,0|1,0,2]=4 1199 B11R1.1 O=CCCc1ccc(F)cc1 Amb10602156 [0,1,0,0,0,0|0,0,2]=3 1200 B11R1.1 O=CCCc1ccc(F)nc1 Amb33225081 [0,1,0,0,0,0|1,0,2]=4 1201 B11R1.1 O=CCCc1ccc(I)cc1 Amb27205783 [0,1,0,0,0,0|0,0,2]=3 1202 B11R1.1 O=CCCc1ccc(O)cc1 Amb17081693 [0,1,0,0,0,0|0,0,2]=3 1203 B11R1.1 O=CCCc1ccc(S)cc1 Amb27192456 [0,1,0,0,0,0|0,0,2]=3 1204 B11R1.1 O=CCOc1ccc(Cl)cc1 Amb5731836 [0,1,0,0,0,0|1,0,2]=4 1205 B11R1.1 O=CCOc1ccc(F)cc1 Amb5731822 [0,1,0,0,0,0|1,0,2]=4 1206 B11R1.1 O=CCOc1ccc(I)cc1 Amb27640919 [0,1,0,0,0,0|1,0,2]=4 1207 B11R1.1 O=CCSc1ccc(Br)cc1 Amb17082907 [0,1,0,0,0,0|1,0,2]=4 1208 B11R1.1 O=CCSc1ccc(Cl)cc1 Amb17082906 [0,1,0,0,0,0|1,0,2]=4 1209 B11R1.1 O=CCSc1ccc(F)cc1 Amb17082905 [0,1,0,0,0,0|1,0,2]=4 1210 B11R1.1 O=CNCc1ccc(Br)cc1 Amb27410847 [0,1,0,0,0,0|1,0,2]=4 1211 B11R1.1 O=CNCc1ccc(Cl)cc1 Amb24486673 [0,1,0,0,0,0|1,0,2]=4 1212 B11R1.1 OCC#Cc1ccc(Br)cc1 Amb836640 [0,1,0,0,0,0|0,0,2]=3 1213 B11R1.1 OCC#Cc1ccc(Br)cn1 Amb5722058 [0,1,0,0,0,0|1,0,2]=4 1214 B11R1.1 OCC#Cc1ccc(Cl)cc1 Amb836709 [0,1,0,0,0,0|0,0,2]=3 1215 B11R1.1 OCC#Cc1ccc(F)cc1 Amb836583 [0,1,0,0,0,0|0,0,2]=3 1216 B11R1.1 OCC#Cc1ccc(I)cc1 Amb28320919 [0,1,0,0,0,0|0,0,2]=3 1217 B11R1.1 OCC#Cc1ccc(O)cc1 Amb28253753 [0,1,0,0,0,0|0,0,2]=3 1218 B11R1.1 OCCCc1ccc(Br)cc1 Amb13883587 [0,1,0,0,0,0|0,0,0]=1 1219 B11R1.1 OCCCc1ccc(Br)cn1 Amb25309177 [0,1,0,0,0,0|1,0,0]=2 1220 B11R1.1 OCCCc1ccc(Br)nc1 Amb21963678 [0,1,0,0,0,0|1,0,0]=2 1221 B11R1.1 OCCCc1ccc(Cl)cc1 Amb2724698 [0,1,0,0,0,0|0,0,0]=1 1222 B11R1.1 OCCCc1ccc(Cl)cn1 Amb32945510 [0,1,0,0,0,0|1,0,0]=2 1223 B11R1.1 OCCCc1ccc(Cl)nc1 Amb21963672 [0,1,0,0,0,0|1,0,0]=2 1224 B11R1.1 OCCCc1ccc(Cl)nn1 Amb28281925 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.1 OCCCc1ccc(F)cc1 Amb17089497 [0,1,0,0,0,0|0,0,0]=1 1226 B11R1.1 OCCCc1ccc(F)cn1 Amb33315556 [0,1,0,0,0,0|1,0,0]=2 1227 B11R1.1 OCCCc1ccc(F)nc1 Amb24085299 [0,1,0,0,0,0|1,0,0]=2 1228 B11R1.1 OCCCc1ccc(I)cc1 Amb24406298 [0,1,0,0,0,0|0,0,0]=1 1229 B11R1.1 OCCCc1ccc(I)cn1 Amb27193498 [0,1,0,0,0,0|1,0,0]=2 1230 B11R1.1 OCCCc1ccc(O)cc1 Amb9825857 [0,1,0,0,0,0|0,0,0]=1 1231 B11R1.1 OCCCc1cnc(S)nc1 Amb22394982 [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.1 OCCCc1ncc(Br)cn1 Amb33335102 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.1 OCCCc1ncc(S)cn1 Amb1971490 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.1 OCCNc1ccc(Br)cc1 Amb6712224 [0,1,0,0,0,0|1,0,0]=2 1235 B11R1.1 OCCNc1ccc(Br)cn1 Amb6649055 [0,1,0,0,0,0|2,0,0]=3 1236 B11R1.1 OCCNc1ccc(Cl)cc1 Amb6711989 [0,1,0,0,0,0|1,0,0]=2 1237 B11R1.1 OCCNc1ccc(Cl)cn1 Amb6641858 [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.1 OCCNc1ccc(Cl)nn1 Amb843110 [0,1,0,0,0,0|3,0,0]=4 1239 B11R1.1 OCCNc1ccc(F)cc1 Amb6712341 [0,1,0,0,0,0|1,0,0]=2 1240 B11R1.1 OCCNc1ccc(F)cn1 Amb18975393 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.1 OCCNc1ccc(I)cc1 Amb7785103 [0,1,0,0,0,0|1,0,0]=2 1242 B11R1.1 OCCNc1ccc(O)cc1 Amb2697158 [0,1,0,0,0,0|1,0,0]=2 1243 B11R1.1 OCCNc1ncc(Br)cn1 Amb22233773 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.1 OCCOc1ccc(Br)cc1 Amb3939111 [0,1,0,0,0,0|1,0,0]=2 1245 B11R1.1 OCCOc1ccc(Br)cn1 Amb19515691 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.1 OCCOc1ccc(Cl)cc1 Amb2209356 [0,1,0,0,0,0|1,0,0]=2 1247 B11R1.1 OCCOc1ccc(Cl)cn1 Amb23598439 [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.1 OCCOc1ccc(Cl)nn1 Amb6681175 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.1 OCCOc1ccc(F)cc1 Amb9370676 [0,1,0,0,0,0|1,0,0]=2 1250 B11R1.1 OCCOc1ccc(I)cc1 Amb9247649 [0,1,0,0,0,0|1,0,0]=2 1251 B11R1.1 OCCOc1ccc(O)cc1 Amb33528799 [0,1,0,0,0,0|1,0,0]=2 1252 B11R1.1 OCCSc1ccc(Br)cc1 Amb9247642 [0,1,0,0,0,0|1,0,0]=2 1253 B11R1.1 OCCSc1ccc(Cl)cc1 Amb3939208 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.1 OCCSc1ccc(Cl)cn1 Amb2722741 [0,1,0,0,0,0|2,0,0]=3 1255 B11R1.1 OCCSc1ccc(Cl)nn1 Amb9238467 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.1 OCCSc1cnc(Br)cn1 Amb27761852 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.1 OCCSc1ncc(Br)cn1 Amb27459943 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.1 OCCSc1ncc(F)cn1 Amb27836138 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.1 OC\C=C\c1ccc(Br)cc1 Amb5559245 [0,1,0,0,0,0|0,0,2]=3 1260 B11R1.1 OC\C=C\c1ccc(Br)nc1 Amb33388370 [0,1,0,0,0,0|1,0,2]=4 1261 B11R1.1 OC\C=C\c1ccc(Cl)cc1 Amb21964138 [0,1,0,0,0,0|0,0,2]=3 1262 B11R1.1 OC\C=C\c1ccc(Cl)nc1 Amb27980589 [0,1,0,0,0,0|1,0,2]=4 1263 B11R1.1 OC\C=C\c1ccc(F)cc1 Amb23442931 [0,1,0,0,0,0|0,0,2]=3 1264 B11R1.1 OC\C=C\c1ccc(F)cn1 Amb33317353 [0,1,0,0,0,0|1,0,2]=4 1265 B11R1.1 OC\C=C\c1ccc(F)nc1 Amb33425603 [0,1,0,0,0,0|1,0,2]=4 1266 B11R1.1 OC\C=C\c1ccc(O)cc1 Amb2445151 [0,1,0,0,0,0|0,0,2]=3 1267 B11R1.1 ONCCc1ccc(O)cc1 Amb27409616 [0,1,0,0,0,0|1,0,0]=2 1268 B11R1.1 O\N=C/Cc1ccc(O)cc1 Amb27833768 [0,1,0,0,0,0|1,0,1]=3 1269 B11R1.1 O\N=C\Cc1ccc(O)cc1 Amb25705671 [0,1,0,0,0,0|1,0,1]=3 1270 B11R1.1 O\N=C\Nc1ccc(Cl)cc1 Amb27606304 [0,1,0,0,0,0|2,0,1]=4 1271 B11R1.1 Oc1ccc(C#CCBr)cc1 Amb27617354 [0,1,0,0,0,0|1,0,2]=4 1272 B11R1.1 Oc1ccc(C#CCI)cc1 Amb25341074 [0,1,0,0,0,0|1,0,2]=4 1273 B11R1.1 Oc1ccc(CCCBr)cc1 Amb25703932 [0,1,0,0,0,0|1,0,0]=2 1274 B11R1.1 Oc1ccc(CCCCl)cc1 Amb17477722 [0,1,0,0,0,0|1,0,0]=2 1275 B11R1.1 Oc1ccc(CCCS)cc1 Amb26880425 [0,1,0,0,0,0|0,1,0]=2 1276 B11R1.1 Oc1ccc(NCCF)cc1 Amb28070962 [0,1,0,0,0,0|2,0,0]=3 1277 B11R1.1 Oc1ccc(OCCBr)cc1 Amb8393912 [0,1,0,0,0,0|2,0,0]=3 1278 B11R1.1 Oc1ccc(OCCCl)cc1 Amb18126982 [0,1,0,0,0,0|2,0,0]=3 1279 B11R1.1 S=C=NCc1ccc(Br)cc1 Amb2694673 [0,1,0,0,0,0|1,1,1]=4 1280 B11R1.1 S=C=NCc1ccc(Cl)cc1 Amb2092731 [0,1,0,0,0,0|1,1,1]=4 1281 B11R1.1 SCCCc1ccc(Br)cc1 Amb17407562 [0,1,0,0,0,0|0,1,0]=2 1282 B11R1.1 SCCCc1ccc(Br)cn1 Amb33477445 [0,1,0,0,0,0|1,1,0]=3 1283 B11R1.1 SCCCc1ccc(Br)nc1 Amb33389191 [0,1,0,0,0,0|1,1,0]=3 1284 B11R1.1 SCCCc1ccc(Cl)cc1 Amb17401097 [0,1,0,0,0,0|0,1,0]=2 1285 B11R1.1 SCCCc1ccc(Cl)cn1 Amb33058851 [0,1,0,0,0,0|1,1,0]=3 1286 B11R1.1 SCCCc1ccc(Cl)nc1 Amb33261724 [0,1,0,0,0,0|1,1,0]=3 1287 B11R1.1 SCCCc1ncc(Br)cn1 Amb33335312 [0,1,0,0,0,0|2,1,0]=4 1288 B11R1.1 SCCOc1ccc(Br)cc1 Amb6255894 [0,1,0,0,0,0|1,1,0]=3 1289 B11R1.1 SCCOc1ccc(Cl)cc1 Amb6255692 [0,1,0,0,0,0|1,1,0]=3 1290 B11R1.1 SCCOc1ccc(I)cc1 Amb27197400 [0,1,0,0,0,0|1,1,0]=3 1291 B11R1.1 SCCSc1ccc(Br)cc1 Amb28206773 [0,1,0,0,0,0|1,1,0]=3 1292 B11R1.1 SCCSc1ccc(Br)cn1 Amb28182483 [0,1,0,0,0,0|2,1,0]=4 1293 B11R1.1 SCCSc1ccc(Cl)cc1 Amb13881736 [0,1,0,0,0,0|1,1,0]=3 1294 B11R1.1 Sc1ccc(CCCCl)cc1 Amb27233376 [0,1,0,0,0,0|1,0,0]=2 1295 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 Amb2685409 [0,1,0,0,0,0|2,0,0]=3 1296 B11R1.1 [C-]#[N+]CCc1ccc(Br)cn1 Amb33477470 [0,1,0,0,0,0|3,0,0]=4 1297 B11R1.1 [C-]#[N+]CCc1ccc(Br)nc1 Amb33388048 [0,1,0,0,0,0|3,0,0]=4 1298 B11R1.1 [C-]#[N+]CCc1ccc(C)cc1 Amb33203684 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.1 [C-]#[N+]CCc1ccc(C)cn1 Amb33198854 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.1 [C-]#[N+]CCc1ccc(C)nc1 Amb32878603 [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.1 [C-]#[N+]CCc1ccc(Cl)cc1 Amb2686346 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.1 [C-]#[N+]CCc1ccc(Cl)nc1 Amb33261542 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 Amb2688287 [0,1,0,0,0,0|2,0,0]=3 1304 B11R1.1 [C-]#[N+]CCc1ccc(F)cn1 Amb33315886 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.1 [C-]#[N+]CCc1ccc(F)nc1 Amb33426221 [0,1,0,0,0,0|3,0,0]=4 1306 B11R1.1 [N-]=[N+]=NCc1ccc(Br)cc1 Amb8938145 [0,1,0,0,0,0|3,0,0]=4 1307 B11R1.1 [N-]=[N+]=NCc1ccc(Cl)cc1 Amb8938171 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.1 [N-]=[N+]=NCc1ccc(F)cc1 Amb8938151 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.1 [N-]=[N+]=NCc1ccc(I)cc1 Amb22059741 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.1 [N-]=[N+]=NCc1ccc(O)cc1 Amb33550828 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.1 [O-][n+]1ccc(CCCCl)cc1 Amb27963925 [0,1,0,0,0,0|2,0,0]=3 1312 B11R1.16 BrCCC(Br)c1ccccc1 Amb23456167 [0,1,0,0,0,0|1,0,0]=2 1313 B11R1.16 C#CCC(=O)c1ccccc1 Amb27794052 [0,1,0,0,0,0|1,0,2]=4 1314 B11R1.16 C#CCC(Br)c1ccccc1 Amb27841700 [0,1,0,0,0,0|1,0,1]=3 1315 B11R1.16 C#CCC(C)c1ccccc1 Amb18117214 [0,1,0,0,0,0|1,0,1]=3 1316 B11R1.16 C#CCC(N)c1ccccc1 Amb18959773 [0,1,0,0,0,0|1,0,1]=3 1317 B11R1.16 C#CCC(N)c1ccccc1 Amb6752054 [0,1,0,0,0,0|1,0,1]=3 1318 B11R1.16 C#CCC(O)c1ccccc1 Amb2721611 [0,1,0,0,0,0|1,0,1]=3 1319 B11R1.16 C#CCC(O)c1ccccn1 Amb19373060 [0,1,0,0,0,0|2,0,1]=4 1320 B11R1.16 C#CCC(O)c1cccnc1 Amb22756005 [0,1,0,0,0,0|2,0,1]=4 1321 B11R1.16 C#CCC(O)c1ccncc1 Amb27402292 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.16 C#CCN(C)c1ccccc1 Amb19514873 [0,1,0,0,0,0|2,0,1]=4 1323 B11R1.16 C#CC[C@@H](N)c1ccccc1 Amb28423448 [0,1,0,0,0,0|1,0,1]=3 1324 B11R1.16 C#CC[C@@H](O)c1ccccn1 Amb27658831 [0,1,0,0,0,0|2,0,1]=4 1325 B11R1.16 C#CC[C@H](N)c1ccccc1 Amb33871477 [0,1,0,0,0,0|1,0,1]=3 1326 B11R1.16 C=C(CCBr)c1ccccc1 Amb27646402 [0,1,0,0,0,0|1,0,1]=3 1327 B11R1.16 C=C(CCC)c1ccccc1 Amb24669524 [0,1,0,0,0,0|1,0,1]=3 1328 B11R1.16 C=C(CCCl)c1ccccc1 Amb28120007 [0,1,0,0,0,0|1,0,1]=3 1329 B11R1.16 C=C(CCN)c1ccccc1 Amb32953172 [0,1,0,0,0,0|1,0,1]=3 1330 B11R1.16 C=C(CCN)c1ccccn1 Amb33360278 [0,1,0,0,0,0|2,0,1]=4 1331 B11R1.16 C=C(CCN)c1cccnc1 Amb33360412 [0,1,0,0,0,0|2,0,1]=4 1332 B11R1.16 C=C(CCN)c1ccncc1 Amb33380624 [0,1,0,0,0,0|2,0,1]=4 1333 B11R1.16 C=C(CNN)c1ccccc1 Amb27956116 [0,1,0,0,0,0|2,0,1]=4 1334 B11R1.16 C=C(COC)c1ccccc1 Amb28188323 [0,1,0,0,0,0|2,0,1]=4 1335 B11R1.16 C=C=C[C@@H](N)c1ccccc1 Amb28241475 [0,1,0,0,0,0|1,0,2]=4 1336 B11R1.16 C=C=C[C@H](O)c1ccccc1 Amb27207074 [0,1,0,0,0,0|1,0,2]=4 1337 B11R1.16 C=CCC(=O)c1ccccc1 Amb17334260 [0,1,0,0,0,0|1,0,2]=4 1338 B11R1.16 C=CCC(Cl)c1ccccc1 Amb27232993 [0,1,0,0,0,0|1,0,1]=3 1339 B11R1.16 C=CCC(N)c1ccccc1 Amb17226687 [0,1,0,0,0,0|1,0,1]=3 1340 B11R1.16 C=CCC(N)c1ccccn1 Amb18977590 [0,1,0,0,0,0|2,0,1]=4 1341 B11R1.16 C=CCC(N)c1ccncc1 Amb18292093 [0,1,0,0,0,0|2,0,1]=4 1342 B11R1.16 C=CCC(N)c1ccncc1 Amb33545929 [0,1,0,0,0,0|2,0,1]=4 1343 B11R1.16 C=CCC(O)c1ccccc1 Amb2389146 [0,1,0,0,0,0|1,0,1]=3 1344 B11R1.16 C=CCC(O)c1ccccn1 Amb25735233 [0,1,0,0,0,0|2,0,1]=4 1345 B11R1.16 C=CCS(=O)c1ccccc1 Amb17933936 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.16 C=CC[C@@H](N)c1ccccc1 Amb22829899 [0,1,0,0,0,0|1,0,1]=3 1347 B11R1.16 C=CC[C@@H](N)c1ccccc1 Amb22831832 [0,1,0,0,0,0|1,0,1]=3 1348 B11R1.16 C=CC[C@@H](N)c1ccccn1 Amb25844369 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.16 C=CC[C@@H](N)c1cccnc1 Amb24487504 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.16 C=CC[C@@H](O)c1ccccc1 Amb24726216 [0,1,0,0,0,0|1,0,1]=3 1351 B11R1.16 C=CC[C@@H](O)c1cccnc1 Amb26978853 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.16 C=CC[C@@H](O)c1ccncc1 Amb27645293 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.16 C=CC[C@H](N)c1ccccc1 Amb27253729 [0,1,0,0,0,0|1,0,1]=3 1354 B11R1.16 C=CC[C@H](N)c1ccccn1 Amb25117558 [0,1,0,0,0,0|2,0,1]=4 1355 B11R1.16 C=CC[C@H](O)c1ccccc1 Amb8392356 [0,1,0,0,0,0|1,0,1]=3 1356 B11R1.16 C=CC[C@H](O)c1ccccn1 Amb28139402 [0,1,0,0,0,0|2,0,1]=4 1357 B11R1.16 C=CC[C@H](O)c1cccnc1 Amb25724316 [0,1,0,0,0,0|2,0,1]=4 1358 B11R1.16 C=CC[C@H](O)c1ccncc1 Amb25854958 [0,1,0,0,0,0|2,0,1]=4 1359 B11R1.16 C=CNC(C)c1ccccc1 Amb27455084 [0,1,0,0,0,0|2,0,1]=4 1360 B11R1.16 C=COC(C)c1ccccc1 Amb22522122 [0,1,0,0,0,0|2,0,1]=4 1361 B11R1.16 CC#CC(Cl)c1ccccc1 Amb28365466 [0,1,0,0,0,0|1,0,2]=4 1362 B11R1.16 CC#C[C@H](O)c1ccccc1 Amb27981913 [0,1,0,0,0,0|1,0,2]=4 1363 B11R1.16 CC(CC#N)c1ccccc1 Amb17593643 [0,1,0,0,0,0|1,0,1]=3 1364 B11R1.16 CC(CC=O)c1ccccc1 Amb3372078 [0,1,0,0,0,0|0,0,2]=3 1365 B11R1.16 CC(CC=O)c1ccccn1 Amb27965829 [0,1,0,0,0,0|1,0,2]=4 1366 B11R1.16 CC(CCBr)c1ccccc1 Amb857802 [0,1,0,0,0,0|1,0,0]=2 1367 B11R1.16 CC(CCCl)c1ccccc1 Amb17232691 [0,1,0,0,0,0|1,0,0]=2 1368 B11R1.16 CC(CCN)c1ccccc1 Amb17991256 [0,1,0,0,0,0|1,0,0]=2 1369 B11R1.16 CC(CCN)c1ccccc1 Amb5739006 [0,1,0,0,0,0|1,0,0]=2 1370 B11R1.16 CC(CCN)c1ccccn1 Amb18981390 [0,1,0,0,0,0|2,0,0]=3 1371 B11R1.16 CC(CCN)c1cccnc1 Amb18293554 [0,1,0,0,0,0|2,0,0]=3 1372 B11R1.16 CC(CCN)c1ccncc1 Amb18293553 [0,1,0,0,0,0|2,0,0]=3 1373 B11R1.16 CC(CCN)c1ccncc1 Amb32652118 [0,1,0,0,0,0|2,0,0]=3 1374 B11R1.16 CC(CCN)c1ccncn1 Amb25982922 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.16 CC(CCN)c1cnccn1 Amb27751261 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.16 CC(CCN)c1cncnc1 Amb24467901 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.16 CC(CCN)c1ncccn1 Amb33270695 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.16 CC(CCO)c1ccccc1 Amb3938966 [0,1,0,0,0,0|0,0,0]=1 1379 B11R1.16 CC(CCO)c1ccncc1 Amb2694520 [0,1,0,0,0,0|1,0,0]=2 1380 B11R1.16 CC(CCS)c1ccccc1 Amb25866017 [0,1,0,0,0,0|0,1,0]=2 1381 B11R1.16 CC(CNN)c1ccccc1 Amb18791463 [0,1,0,0,0,0|2,0,0]=3 1382 B11R1.16 CC(CNN)c1ccccn1 Amb30010191 [0,1,0,0,0,0|3,0,0]=4 1383 B11R1.16 CC(CNO)c1ccccc1 Amb26657287 [0,1,0,0,0,0|1,0,0]=2 1384 B11R1.16 CC(CON)c1ccccc1 Amb28144909 [0,1,0,0,0,0|2,0,0]=3 1385 B11R1.16 CC(CON)c1ccccn1 Amb33360778 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.16 CC(CON)c1cccnc1 Amb33360042 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.16 CC(CON)c1ccncc1 Amb33380656 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.16 CC(N=C=O)c1ccccc1 Amb2092860 [0,1,0,0,0,0|1,0,2]=4 1389 B11R1.16 CC(N=C=S)c1ccccc1 Amb9701921 [0,1,0,0,0,0|1,1,1]=4 1390 B11R1.16 CC(N=[N+]=[N-])c1ccccc1 Amb18632995 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.16 CC(NC#N)c1ccccc1 Amb27406316 [0,1,0,0,0,0|2,0,1]=4 1392 B11R1.16 CC(NC=O)c1ccccc1 Amb4020107 [0,1,0,0,0,0|1,0,2]=4 1393 B11R1.16 CC(NCO)c1ccccc1 Amb27403352 [0,1,0,0,0,0|1,0,0]=2 1394 B11R1.16 CC(NN=O)c1ccccc1 Amb24392128 [0,1,0,0,0,0|2,0,1]=4 1395 B11R1.16 CC(OC=O)c1ccccc1 Amb22735162 [0,1,0,0,0,0|1,0,2]=4 1396 B11R1.16 CC(OCCl)c1ccccc1 Amb27852517 [0,1,0,0,0,0|2,0,0]=3 1397 B11R1.16 CC(\C=C\Br)c1ccccc1 Amb33134868 [0,1,0,0,0,0|1,0,2]=4 1398 B11R1.16 CC(\C=N\O)c1ccccc1 Amb4018201 [0,1,0,0,0,0|1,0,1]=3 1399 B11R1.16 CCCC(=O)c1ccccc1 Amb4605997 [0,1,0,0,0,0|1,0,1]=3 1400 B11R1.16 CCCC(=O)c1ccccn1 Amb6301471 [0,1,0,0,0,0|2,0,1]=4 1401 B11R1.16 CCCC(=O)c1cccnc1 Amb17232054 [0,1,0,0,0,0|2,0,1]=4 1402 B11R1.16 CCCC(=O)c1ccncc1 Amb22235246 [0,1,0,0,0,0|2,0,1]=4 1403 B11R1.16 CCCC(Br)c1ccccc1 Amb8835450 [0,1,0,0,0,0|1,0,0]=2 1404 B11R1.16 CCCC(Br)c1ccccn1 Amb25675709 [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.16 CCCC(C)c1ccccc1 Amb4017935 [0,1,0,0,0,0|1,0,0]=2 1406 B11R1.16 CCCC(Cl)c1ccccc1 Amb7766848 [0,1,0,0,0,0|1,0,0]=2 1407 B11R1.16 CCCC(N)c1ccccc1 Amb8503301 [0,1,0,0,0,0|1,0,0]=2 1408 B11R1.16 CCCC(N)c1ccccc1 Amb9729508 [0,1,0,0,0,0|1,0,0]=2 1409 B11R1.16 CCCC(N)c1ccccn1 Amb18984959 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.16 CCCC(N)c1cccnc1 Amb18984960 [0,1,0,0,0,0|2,0,0]=3 1411 B11R1.16 CCCC(N)c1ccncc1 Amb18984961 [0,1,0,0,0,0|2,0,0]=3 1412 B11R1.16 CCCC(N)c1ccncc1 Amb30982091 [0,1,0,0,0,0|2,0,0]=3 1413 B11R1.16 CCCC(N)c1ccnnc1 Amb27879506 [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.16 CCCC(N)c1ncccn1 Amb18984962 [0,1,0,0,0,0|3,0,0]=4 1415 B11R1.16 CCCC(O)c1ccccc1 Amb9748221 [0,1,0,0,0,0|1,0,0]=2 1416 B11R1.16 CCCC(O)c1ccccn1 Amb18179397 [0,1,0,0,0,0|2,0,0]=3 1417 B11R1.16 CCCC(O)c1cccnc1 Amb17232090 [0,1,0,0,0,0|2,0,0]=3 1418 B11R1.16 CCCC(O)c1ccnnc1 Amb27210620 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.16 CCCC(S)c1ccccc1 Amb9208055 [0,1,0,0,0,0|1,0,0]=2 1420 B11R1.16 CCCN(C)c1ccccc1 Amb27176635 [0,1,0,0,0,0|2,0,0]=3 1421 B11R1.16 CCCN(C)c1ccncc1 Amb27176636 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.16 CCCS(=O)c1ccccc1 Amb4013577 [0,1,0,0,0,0|2,0,0]=3 1423 B11R1.16 CCC[C@@H](N)c1ccccc1 Amb16233791 [0,1,0,0,0,0|1,0,0]=2 1424 B11R1.16 CCC[C@@H](N)c1ccccc1 Amb22388605 [0,1,0,0,0,0|1,0,0]=2 1425 B11R1.16 CCC[C@@H](N)c1ncccn1 Amb26319538 [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.16 CCC[C@@H](O)c1cccnc1 Amb28069903 [0,1,0,0,0,0|2,0,0]=3 1427 B11R1.16 CCC[C@@H](O)c1ccncn1 Amb28285021 [0,1,0,0,0,0|3,0,0]=4 1428 B11R1.16 CCC[C@@H](O)c1cnccn1 Amb27972763 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.16 CCC[C@@H](O)c1ncccn1 Amb27196897 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.16 CCC[C@H](N)c1ccccc1 Amb20241164 [0,1,0,0,0,0|1,0,0]=2 1431 B11R1.16 CCC[C@H](N)c1ccccc1 Amb23385315 [0,1,0,0,0,0|1,0,0]=2 1432 B11R1.16 CCC[C@H](N)c1cncnc1 Amb28346077 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.16 CCC[C@H](N)c1ncccn1 Amb26038672 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.16 CCC[C@H](O)c1ccccc1 Amb22338698 [0,1,0,0,0,0|1,0,0]=2 1435 B11R1.16 CCC[C@H](O)c1ccncn1 Amb27170118 [0,1,0,0,0,0|3,0,0]=4 1436 B11R1.16 CCC[C@H](O)c1cnccn1 Amb27206223 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.16 CCNC(=O)c1ccccc1 Amb6871002 [0,1,0,0,0,0|2,0,1]=4 1438 B11R1.16 CCNC(=S)c1ccccc1 Amb27848073 [0,1,0,0,0,0|2,0,1]=4 1439 B11R1.16 CCNC(C)c1ccccc1 Amb1771733 [0,1,0,0,0,0|2,0,0]=3 1440 B11R1.16 CCNC(C)c1ccccc1 Amb6537886 [0,1,0,0,0,0|2,0,0]=3 1441 B11R1.16 CCNC(C)c1cccnc1 Amb9726977 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.16 CCNC(C)c1ccncc1 Amb33548282 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.16 CCNC(C)c1ccncc1 Amb6272006 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.16 CCNS(=O)c1ccccc1 Amb27261568 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.16 CCN[C@@H](C)c1ccccc1 Amb27175162 [0,1,0,0,0,0|2,0,0]=3 1446 B11R1.16 CCN[C@H](C)c1ccccn1 Amb28249175 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.16 CCOC(=N)c1ccccc1 Amb17666955 [0,1,0,0,0,0|2,0,1]=4 1448 B11R1.16 CCOC(=N)c1ccccc1 Amb33527262 [0,1,0,0,0,0|2,0,1]=4 1449 B11R1.16 CCOC(=O)c1ccccc1 Amb4302705 [0,1,0,0,0,0|2,0,1]=4 1450 B11R1.16 CCOC(=[NH2+])c1ccccc1 Amb5720188 [0,1,0,0,0,0|2,0,1]=4 1451 B11R1.16 CCOC(C)c1ccccc1 Amb17940188 [0,1,0,0,0,0|2,0,0]=3 1452 B11R1.16 CCOC(O)c1ccccc1 Amb27399654 [0,1,0,0,0,0|2,0,0]=3 1453 B11R1.16 CCOC(O)c1ccncc1 Amb28321304 [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.16 CCON(C)c1ccccc1 Amb27234596 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.16 CCO[PH](=O)c1ccccc1 Amb10601587 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.16 CCSC(=O)c1ccccc1 Amb27828652 [0,1,0,0,0,0|2,0,1]=4 1457 B11R1.16 CCSC(C)c1ccccc1 Amb28145240 [0,1,0,0,0,0|2,0,0]=3 1458 B11R1.16 CC\C=C(/C)c1ccccc1 Amb25151168 [0,1,0,0,0,0|1,0,2]=4 1459 B11R1.16 CC\C=C(\C)c1ccccc1 Amb27445109 [0,1,0,0,0,0|1,0,2]=4 1460 B11R1.16 CC\[S+]=C(/N)c1ccccc1 Amb27236829 [0,1,0,0,0,0|2,0,1]=4 1461 B11R1.16 CN(CC#N)c1ccccc1 Amb5781397 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.16 CN(CCBr)c1ccccc1 Amb24477466 [0,1,0,0,0,0|2,0,0]=3 1463 B11R1.16 CN(CCBr)c1ccncc1 Amb28240010 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.16 CN(CCCl)c1ccccc1 Amb17334788 [0,1,0,0,0,0|2,0,0]=3 1465 B11R1.16 CN(CCI)c1ccccc1 Amb28138218 [0,1,0,0,0,0|2,0,0]=3 1466 B11R1.16 CN(CCN)c1ccccc1 Amb13949227 [0,1,0,0,0,0|2,0,0]=3 1467 B11R1.16 CN(CCN)c1ccccc1 Amb2371516 [0,1,0,0,0,0|2,0,0]=3 1468 B11R1.16 CN(CCN)c1ccccc1 Amb59983 [0,1,0,0,0,0|2,0,0]=3 1469 B11R1.16 CN(CCN)c1ccccn1 Amb18302344 [0,1,0,0,0,0|3,0,0]=4 1470 B11R1.16 CN(CCN)c1ccccn1 Amb31188270 [0,1,0,0,0,0|3,0,0]=4 1471 B11R1.16 CN(CCO)c1cccc[nH+]1 Amb33512959 [0,1,0,0,0,0|2,0,0]=3 1472 B11R1.16 CN(CCO)c1ccccc1 Amb2720819 [0,1,0,0,0,0|1,0,0]=2 1473 B11R1.16 CN(CCO)c1ccccn1 Amb2445428 [0,1,0,0,0,0|2,0,0]=3 1474 B11R1.16 CN(CCO)c1cccnn1 Amb18182850 [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.16 CN(CCO)c1ccncc1 Amb18179433 [0,1,0,0,0,0|2,0,0]=3 1476 B11R1.16 CN(CCO)c1ccncc1 Amb19373596 [0,1,0,0,0,0|2,0,0]=3 1477 B11R1.16 CN(CCO)c1cnccn1 Amb2445427 [0,1,0,0,0,0|3,0,0]=4 1478 B11R1.16 CN(CCO)c1ncccn1 Amb18182843 [0,1,0,0,0,0|3,0,0]=4 1479 B11R1.16 CN(CCS)c1ccccc1 Amb13881732 [0,1,0,0,0,0|1,1,0]=3 1480 B11R1.16 CNCC(=O)c1ccccc1 Amb577810 [0,1,0,0,0,0|2,0,1]=4 1481 B11R1.16 CNCC(C)c1ccccc1 Amb17619365 [0,1,0,0,0,0|2,0,0]=3 1482 B11R1.16 CNCC(C)c1ccccc1 Amb6355911 [0,1,0,0,0,0|2,0,0]=3 1483 B11R1.16 CNCC(C)c1ccncc1 Amb27199701 [0,1,0,0,0,0|3,0,0]=4 1484 B11R1.16 CNCC(F)c1ccccc1 Amb24710254 [0,1,0,0,0,0|2,0,0]=3 1485 B11R1.16 CNCC(N)c1ccccc1 Amb18290185 [0,1,0,0,0,0|2,0,0]=3 1486 B11R1.16 CNCC(O)c1ccccc1 Amb32405137 [0,1,0,0,0,0|2,0,0]=3 1487 B11R1.16 CNCC(O)c1ccccc1 Amb3939362 [0,1,0,0,0,0|2,0,0]=3 1488 B11R1.16 CNCC(O)c1ccccn1 Amb17138440 [0,1,0,0,0,0|3,0,0]=4 1489 B11R1.16 CNCC(O)c1cccnc1 Amb17138441 [0,1,0,0,0,0|3,0,0]=4 1490 B11R1.16 CNCC(O)c1cccnc1 Amb19515701 [0,1,0,0,0,0|3,0,0]=4 1491 B11R1.16 CNCC(O)c1ccncc1 Amb17138442 [0,1,0,0,0,0|3,0,0]=4 1492 B11R1.16 CNC[C@@H](C)c1ccccc1 Amb27253876 [0,1,0,0,0,0|2,0,0]=3 1493 B11R1.16 CNC[C@@H](O)c1ccccn1 Amb28119961 [0,1,0,0,0,0|3,0,0]=4 1494 B11R1.16 CNC[C@@H](O)c1cccnc1 Amb28067718 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.16 COCC(=O)c1ccccc1 Amb4605981 [0,1,0,0,0,0|2,0,1]=4 1496 B11R1.16 COCC(Br)c1ccccc1 Amb27797279 [0,1,0,0,0,0|2,0,0]=3 1497 B11R1.16 COCC(N)c1ccccc1 Amb1134749 [0,1,0,0,0,0|2,0,0]=3 1498 B11R1.16 COCC(N)c1ccccc1 Amb13952604 [0,1,0,0,0,0|2,0,0]=3 1499 B11R1.16 COCC(N)c1ccccn1 Amb10607922 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.16 COCC(N)c1ccccn1 Amb13949181 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.16 COCC(N)c1ccncc1 Amb27168231 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.16 COCC(O)c1ccccc1 Amb18791504 [0,1,0,0,0,0|2,0,0]=3 1503 B11R1.16 COCC(O)c1ccccn1 Amb27165137 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.16 COCC(S)c1ccccc1 Amb25698414 [0,1,0,0,0,0|2,0,0]=3 1505 B11R1.16 COC[C@@H](N)c1ccccc1 Amb17061641 [0,1,0,0,0,0|2,0,0]=3 1506 B11R1.16 COC[C@@H](N)c1ccccn1 Amb25104762 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.16 COC[C@@H](N)c1ccccn1 Amb33620942 [0,1,0,0,0,0|3,0,0]=4 1508 B11R1.16 COC[C@@H](N)c1cccnc1 Amb24351094 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.16 COC[C@@H](N)c1cccnc1 Amb33804039 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.16 COC[C@H](N)c1ccccc1 Amb22737495 [0,1,0,0,0,0|2,0,0]=3 1511 B11R1.16 COC[C@H](N)c1ccccn1 Amb27493999 [0,1,0,0,0,0|3,0,0]=4 1512 B11R1.16 COC[C@H](N)c1cccnc1 Amb24533043 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.16 COC[C@H](N)c1cccnc1 Amb33803139 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.16 COC[C@H](N)c1ccncc1 Amb28250847 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.16 COC[C@H](O)c1ccccc1 Amb27410269 [0,1,0,0,0,0|2,0,0]=3 1516 B11R1.16 CONC(C)c1ccccc1 Amb22896960 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.16 CP(CC=O)c1ccccc1 Amb28241337 [0,1,0,0,0,0|1,0,2]=4 1518 B11R1.16 CP(CCCl)c1ccccc1 Amb28239778 [0,1,0,0,0,0|2,0,0]=3 1519 B11R1.16 CSCC(=O)c1ccccc1 Amb4034487 [0,1,0,0,0,0|2,0,1]=4 1520 B11R1.16 CSCC(Cl)c1ccccc1 Amb27272993 [0,1,0,0,0,0|2,0,0]=3 1521 B11R1.16 CSCC(N)c1ccccc1 Amb18300065 [0,1,0,0,0,0|2,0,0]=3 1522 B11R1.16 CSCC(O)c1ccccc1 Amb18793198 [0,1,0,0,0,0|2,0,0]=3 1523 B11R1.16 CSC[C@H](N)c1ccccc1 Amb28397956 [0,1,0,0,0,0|2,0,0]=3 1524 B11R1.16 CSC[C@H](O)c1ccccc1 Amb28077783 [0,1,0,0,0,0|2,0,0]=3 1525 B11R1.16 C[C@@H](CC=O)c1ccccc1 Amb27661808 [0,1,0,0,0,0|0,0,2]=3 1526 B11R1.16 C[C@@H](CCN)c1ccccc1 Amb28285355 [0,1,0,0,0,0|1,0,0]=2 1527 B11R1.16 C[C@@H](N=C=O)c1ccccc1 Amb3939766 [0,1,0,0,0,0|1,0,2]=4 1528 B11R1.16 C[C@@H](NC=S)c1ccccc1 Amb27229087 [0,1,0,0,0,0|1,1,1]=4 1529 B11R1.16 C[C@@H](NN=O)c1ccccc1 Amb27249670 [0,1,0,0,0,0|2,0,1]=4 1530 B11R1.16 C[C@H](CCO)c1ccccc1 Amb24371178 [0,1,0,0,0,0|0,0,0]=1 1531 B11R1.16 C[C@H](N=C=O)c1ccccc1 Amb2689348 [0,1,0,0,0,0|1,0,2]=4 1532 B11R1.16 C[C@H](N=C=S)c1ccccc1 Amb2689354 [0,1,0,0,0,0|1,1,1]=4 1533 B11R1.16 C[C@H](NC=S)c1ccccc1 Amb28071285 [0,1,0,0,0,0|1,1,1]=4 1534 B11R1.16 C\C(=C/CBr)c1ccccc1 Amb28384582 [0,1,0,0,0,0|1,0,2]=4 1535 B11R1.16 C\C(=C/CN)c1ccccc1 Amb23555622 [0,1,0,0,0,0|1,0,2]=4 1536 B11R1.16 C\C(=C/CO)c1ccccc1 Amb8392366 [0,1,0,0,0,0|0,0,2]=3 1537 B11R1.16 C\C(=C/CO)c1ccccn1 Amb24373086 [0,1,0,0,0,0|1,0,2]=4 1538 B11R1.16 C\C(=C\CO)c1cccnc1 Amb27191760 [0,1,0,0,0,0|1,0,2]=4 1539 B11R1.16 C\C=C\C(O)c1ccccc1 Amb25887104 [0,1,0,0,0,0|1,0,2]=4 1540 B11R1.16 C\C=C\[C@H](N)c1ccccc1 Amb27163147 [0,1,0,0,0,0|1,0,2]=4 1541 B11R1.16 ClCCC(Br)c1ccccc1 Amb21856734 [0,1,0,0,0,0|1,0,0]=2 1542 B11R1.16 ClCCC(Cl)c1ccccc1 Amb17872667 [0,1,0,0,0,0|1,0,0]=2 1543 B11R1.16 N#CCC(=O)c1ccccc1 Amb1644485 [0,1,0,0,0,0|1,0,2]=4 1544 B11R1.16 N#CCC(N)c1ccccc1 Amb18964887 [0,1,0,0,0,0|1,0,1]=3 1545 B11R1.16 N#CCC(N)c1ccccc1 Amb20632783 [0,1,0,0,0,0|1,0,1]=3 1546 B11R1.16 N#CCC(N)c1ccccc1 Amb33068991 [0,1,0,0,0,0|1,0,1]=3 1547 B11R1.16 N#CCC(N)c1ccccn1 Amb18064993 [0,1,0,0,0,0|2,0,1]=4 1548 B11R1.16 N#CCC(N)c1cccnc1 Amb18064998 [0,1,0,0,0,0|2,0,1]=4 1549 B11R1.16 N#CCC(N)c1ccncc1 Amb18065148 [0,1,0,0,0,0|2,0,1]=4 1550 B11R1.16 N#CCC(O)c1ccccc1 Amb4407013 [0,1,0,0,0,0|1,0,1]=3 1551 B11R1.16 N#CCC(O)c1cccnc1 Amb24062545 [0,1,0,0,0,0|2,0,1]=4 1552 B11R1.16 N#CCC(O)c1ccncc1 Amb25998513 [0,1,0,0,0,0|2,0,1]=4 1553 B11R1.16 N#CCS(=O)c1ccccc1 Amb22505329 [0,1,0,0,0,0|2,0,1]=4 1554 B11R1.16 N#CC[C@@H](N)c1ccccc1 Amb26346763 [0,1,0,0,0,0|1,0,1]=3 1555 B11R1.16 N#CC[C@@H](N)c1ccccc1 Amb32653409 [0,1,0,0,0,0|1,0,1]=3 1556 B11R1.16 N#CC[C@@H](N)c1ccccc1 Amb33212393 [0,1,0,0,0,0|1,0,1]=3 1557 B11R1.16 N#CC[C@@H](O)c1ccccc1 Amb25680039 [0,1,0,0,0,0|1,0,1]=3 1558 B11R1.16 N#CC[C@@H](O)c1ccncc1 Amb27456747 [0,1,0,0,0,0|2,0,1]=4 1559 B11R1.16 N#CC[C@H](N)c1ccccc1 Amb28398545 [0,1,0,0,0,0|1,0,1]=3 1560 B11R1.16 N#CC[C@H](N)c1cccnc1 Amb28282641 [0,1,0,0,0,0|2,0,1]=4 1561 B11R1.16 N#CC[C@H](N)c1ccncc1 Amb27817756 [0,1,0,0,0,0|2,0,1]=4 1562 B11R1.16 N#CC[C@H](O)c1ccccc1 Amb24617537 [0,1,0,0,0,0|1,0,1]=3 1563 B11R1.16 N#CC[C@H](O)c1cccnc1 Amb27252164 [0,1,0,0,0,0|2,0,1]=4 1564 B11R1.16 NC(CC=O)c1ccccc1 Amb28122676 [0,1,0,0,0,0|0,0,2]=3 1565 B11R1.16 NC(CCCl)c1ccccc1 Amb27247405 [0,1,0,0,0,0|1,0,0]=2 1566 B11R1.16 NC(CCF)c1ncccn1 Amb32716309 [0,1,0,0,0,0|3,0,0]=4 1567 B11R1.16 NC(CCO)c1ccccc1 Amb1993953 [0,1,0,0,0,0|0,0,0]=1 1568 B11R1.16 NC(CCO)c1ccccn1 Amb18120551 [0,1,0,0,0,0|1,0,0]=2 1569 B11R1.16 NC(CCO)c1cccnc1 Amb2697495 [0,1,0,0,0,0|1,0,0]=2 1570 B11R1.16 NC(CCO)c1ccncc1 Amb2694579 [0,1,0,0,0,0|1,0,0]=2 1571 B11R1.16 NC(CCO)c1ccncc1 Amb28652905 [0,1,0,0,0,0|1,0,0]=2 1572 B11R1.16 NC(CCO)c1ccncn1 Amb25093068 [0,1,0,0,0,0|2,0,0]=3 1573 B11R1.16 NC(CCO)c1cnccn1 Amb22296969 [0,1,0,0,0,0|2,0,0]=3 1574 B11R1.16 NC(CCO)c1cncnc1 Amb27436559 [0,1,0,0,0,0|2,0,0]=3 1575 B11R1.16 NC(CCO)c1ncccn1 Amb33271428 [0,1,0,0,0,0|2,0,0]=3 1576 B11R1.16 NCCC(=O)c1ccccc1 Amb2613669 [0,1,0,0,0,0|1,0,1]=3 1577 B11R1.16 NCCC(=O)c1ccccn1 Amb18121375 [0,1,0,0,0,0|2,0,1]=4 1578 B11R1.16 NCCC(=O)c1cccnc1 Amb18121496 [0,1,0,0,0,0|2,0,1]=4 1579 B11R1.16 NCCC(=O)c1ccncc1 Amb18639595 [0,1,0,0,0,0|2,0,1]=4 1580 B11R1.16 NCCC(Br)c1ccccc1 Amb27643497 [0,1,0,0,0,0|1,0,0]=2 1581 B11R1.16 NCCC(F)c1ccccc1 Amb27760515 [0,1,0,0,0,0|1,0,0]=2 1582 B11R1.16 NCCC(F)c1ccccn1 Amb33360782 [0,1,0,0,0,0|2,0,0]=3 1583 B11R1.16 NCCC(F)c1cccnc1 Amb25936622 [0,1,0,0,0,0|2,0,0]=3 1584 B11R1.16 NCCC(F)c1ccncc1 Amb25329368 [0,1,0,0,0,0|2,0,0]=3 1585 B11R1.16 NCCC(F)c1ccncn1 Amb33269007 [0,1,0,0,0,0|3,0,0]=4 1586 B11R1.16 NCCC(F)c1cnccn1 Amb24486934 [0,1,0,0,0,0|3,0,0]=4 1587 B11R1.16 NCCC(F)c1cncnc1 Amb27945833 [0,1,0,0,0,0|3,0,0]=4 1588 B11R1.16 NCCC(F)c1ncccn1 Amb33225261 [0,1,0,0,0,0|3,0,0]=4 1589 B11R1.16 NCCC(N)c1ccccc1 Amb18972395 [0,1,0,0,0,0|1,0,0]=2 1590 B11R1.16 NCCC(N)c1cccnc1 Amb27489008 [0,1,0,0,0,0|2,0,0]=3 1591 B11R1.16 NCCC(O)c1ccccc1 Amb21984527 [0,1,0,0,0,0|1,0,0]=2 1592 B11R1.16 NCCC(O)c1ccccc1 Amb9782359 [0,1,0,0,0,0|1,0,0]=2 1593 B11R1.16 NCCC(O)c1ccccn1 Amb18121017 [0,1,0,0,0,0|2,0,0]=3 1594 B11R1.16 NCCC(O)c1cccnc1 Amb18639338 [0,1,0,0,0,0|2,0,0]=3 1595 B11R1.16 NCCC(O)c1ccncc1 Amb18121042 [0,1,0,0,0,0|2,0,0]=3 1596 B11R1.16 NCCC(O)c1ccncn1 Amb28423993 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.16 NCCC(O)c1cnccn1 Amb23512600 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.16 NCCC(O)c1cncnc1 Amb26864651 [0,1,0,0,0,0|3,0,0]=4 1599 B11R1.16 NCCC(O)c1ncccn1 Amb26386521 [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.16 NCCS(=O)c1ccccc1 Amb18974516 [0,1,0,0,0,0|2,0,0]=3 1601 B11R1.16 NCCS(=O)c1ccccc1 Amb19349568 [0,1,0,0,0,0|2,0,0]=3 1602 B11R1.16 NCC[C@@H](N)c1ccncc1 Amb27205112 [0,1,0,0,0,0|2,0,0]=3 1603 B11R1.16 NCC[C@@H](O)c1ccccc1 Amb22225304 [0,1,0,0,0,0|1,0,0]=2 1604 B11R1.16 NCC[C@@H](O)c1ccccn1 Amb33360784 [0,1,0,0,0,0|2,0,0]=3 1605 B11R1.16 NCC[C@@H](O)c1cccnc1 Amb33360063 [0,1,0,0,0,0|2,0,0]=3 1606 B11R1.16 NCC[C@@H](O)c1ccncc1 Amb33225169 [0,1,0,0,0,0|2,0,0]=3 1607 B11R1.16 NCC[C@@H](O)c1ccncn1 Amb33269009 [0,1,0,0,0,0|3,0,0]=4 1608 B11R1.16 NCC[C@@H](O)c1cnccn1 Amb33359990 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.16 NCC[C@@H](O)c1cncnc1 Amb33149203 [0,1,0,0,0,0|3,0,0]=4 1610 B11R1.16 NCC[C@@H](O)c1ncccn1 Amb33270828 [0,1,0,0,0,0|3,0,0]=4 1611 B11R1.16 NCC[C@H](N)c1cccnc1 Amb27205253 [0,1,0,0,0,0|2,0,0]=3 1612 B11R1.16 NCC[C@H](O)c1ccccc1 Amb22226644 [0,1,0,0,0,0|1,0,0]=2 1613 B11R1.16 NCC[C@H](O)c1ccccn1 Amb33360783 [0,1,0,0,0,0|2,0,0]=3 1614 B11R1.16 NCC[C@H](O)c1cccnc1 Amb33360062 [0,1,0,0,0,0|2,0,0]=3 1615 B11R1.16 NCC[C@H](O)c1ccncc1 Amb33380660 [0,1,0,0,0,0|2,0,0]=3 1616 B11R1.16 NCC[C@H](O)c1ccncn1 Amb33269008 [0,1,0,0,0,0|3,0,0]=4 1617 B11R1.16 NCC[C@H](O)c1cnccn1 Amb33359989 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.16 NCC[C@H](O)c1cncnc1 Amb33149201 [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.16 NCC[C@H](O)c1ncccn1 Amb33270827 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.16 NN(CCO)c1ccccn1 Amb27656570 [0,1,0,0,0,0|2,0,0]=3 1621 B11R1.16 NN(CCO)c1ncccn1 Amb27752348 [0,1,0,0,0,0|3,0,0]=4 1622 B11R1.16 NNCC(O)c1ccccc1 Amb17232104 [0,1,0,0,0,0|2,0,0]=3 1623 B11R1.16 NNCC(O)c1ccccn1 Amb18065400 [0,1,0,0,0,0|3,0,0]=4 1624 B11R1.16 NNCC(O)c1cccnc1 Amb17232118 [0,1,0,0,0,0|3,0,0]=4 1625 B11R1.16 NNCC(O)c1ccncc1 Amb18065401 [0,1,0,0,0,0|3,0,0]=4 1626 B11R1.16 NOCC(=O)c1ccccc1 Amb29848094 [0,1,0,0,0,0|2,0,1]=4 1627 B11R1.16 NOCC(O)c1ccccc1 Amb17334342 [0,1,0,0,0,0|2,0,0]=3 1628 B11R1.16 N[C@@H](CCO)c1ccccc1 Amb8384290 [0,1,0,0,0,0|0,0,0]=1 1629 B11R1.16 N[C@@H](CCO)c1ccccn1 Amb28457255 [0,1,0,0,0,0|1,0,0]=2 1630 B11R1.16 N[C@@H](CCO)c1cccnc1 Amb26920229 [0,1,0,0,0,0|1,0,0]=2 1631 B11R1.16 N[C@@H](CCO)c1ccncc1 Amb25131721 [0,1,0,0,0,0|1,0,0]=2 1632 B11R1.16 N[C@@H](CCO)c1cnccn1 Amb27654624 [0,1,0,0,0,0|2,0,0]=3 1633 B11R1.16 N[C@@H](CCO)c1cncnc1 Amb28383505 [0,1,0,0,0,0|2,0,0]=3 1634 B11R1.16 N[C@H](CCO)c1ccccc1 Amb22265524 [0,1,0,0,0,0|0,0,0]=1 1635 B11R1.16 N[C@H](CCO)c1ccccc1 Amb8397180 [0,1,0,0,0,0|0,0,0]=1 1636 B11R1.16 N[C@H](CCO)c1ccccn1 Amb25789774 [0,1,0,0,0,0|1,0,0]=2 1637 B11R1.16 N[C@H](CCO)c1cccnc1 Amb26505375 [0,1,0,0,0,0|1,0,0]=2 1638 B11R1.16 N[C@H](CCO)c1cccnc1 Amb33803480 [0,1,0,0,0,0|1,0,0]=2 1639 B11R1.16 N[C@H](CCO)c1ccncc1 Amb25843798 [0,1,0,0,0,0|1,0,0]=2 1640 B11R1.16 N[C@H](CCO)c1ncccn1 Amb32716227 [0,1,0,0,0,0|2,0,0]=3 1641 B11R1.16 O=C(CCBr)c1ccccc1 Amb4066411 [0,1,0,0,0,0|1,0,1]=3 1642 B11R1.16 O=C(CCCl)c1ccccc1 Amb3940266 [0,1,0,0,0,0|1,0,1]=3 1643 B11R1.16 O=C(CCCl)c1ccncc1 Amb24117884 [0,1,0,0,0,0|2,0,1]=4 1644 B11R1.16 O=C(CCO)c1ccccc1 Amb16231606 [0,1,0,0,0,0|0,0,1]=2 1645 B11R1.16 O=C(CCO)c1ccccn1 Amb26484243 [0,1,0,0,0,0|1,0,1]=3 1646 B11R1.16 O=C(CCO)c1cccnc1 Amb26017511 [0,1,0,0,0,0|1,0,1]=3 1647 B11R1.16 O=C(CCO)c1ccncc1 Amb24544067 [0,1,0,0,0,0|1,0,1]=3 1648 B11R1.16 O=C(CCS)c1ccccc1 Amb17400214 [0,1,0,0,0,0|0,1,1]=3 1649 B11R1.16 O=C(NCCl)c1ccccc1 Amb7761622 [0,1,0,0,0,0|2,0,1]=4 1650 B11R1.16 O=C(NCO)c1ccccc1 Amb1200467 [0,1,0,0,0,0|1,0,1]=3 1651 B11R1.16 O=C(NCO)c1cccnc1 Amb6358137 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.16 O=C(OCCl)c1ccccc1 Amb19958719 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.16 O=C(OCF)c1ccccc1 Amb27485928 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.16 O=C(OCI)c1ccccc1 Amb25148286 [0,1,0,0,0,0|2,0,1]=4 1655 B11R1.16 O=C(OCO)c1ccccc1 Amb25115920 [0,1,0,0,0,0|1,0,1]=3 1656 B11R1.16 O=C(SCCl)c1ccccc1 Amb28458380 [0,1,0,0,0,0|2,0,1]=4 1657 B11R1.16 O=C(\C=N\O)c1ccccc1 Amb2781112 [0,1,0,0,0,0|1,0,2]=4 1658 B11R1.16 O=C=NC(F)c1ccccc1 Amb27437162 [0,1,0,0,0,0|1,0,2]=4 1659 B11R1.16 O=CCC(=O)c1ccccc1 Amb8394158 [0,1,0,0,0,0|0,0,3]=4 1660 B11R1.16 O=CCC(O)c1ccccn1 Amb26844000 [0,1,0,0,0,0|1,0,2]=4 1661 B11R1.16 O=CCC(O)c1ccncc1 Amb24434533 [0,1,0,0,0,0|1,0,2]=4 1662 B11R1.16 O=S(CCCl)c1ccccc1 Amb9158149 [0,1,0,0,0,0|2,0,0]=3 1663 B11R1.16 O=S(CCO)c1ccccc1 Amb27411411 [0,1,0,0,0,0|1,0,0]=2 1664 B11R1.16 OC(C#CBr)c1ccccc1 Amb1083115 [0,1,0,0,0,0|1,0,2]=4 1665 B11R1.16 OC(CCBr)c1ccccc1 Amb26365753 [0,1,0,0,0,0|1,0,0]=2 1666 B11R1.16 OC(CCCl)c1ccccc1 Amb17611064 [0,1,0,0,0,0|1,0,0]=2 1667 B11R1.16 OCCC(Cl)c1ccccc1 Amb27823326 [0,1,0,0,0,0|0,0,0]=1 1668 B11R1.16 OCCC(F)c1ccccc1 Amb28460703 [0,1,0,0,0,0|0,0,0]=1 1669 B11R1.16 OCCC(O)c1ccccc1 Amb17777842 [0,1,0,0,0,0|0,0,0]=1 1670 B11R1.16 OCCC(O)c1ccccn1 Amb22756156 [0,1,0,0,0,0|1,0,0]=2 1671 B11R1.16 OCCC(O)c1cccnc1 Amb27257189 [0,1,0,0,0,0|1,0,0]=2 1672 B11R1.16 OCCC(O)c1ccncc1 Amb25760239 [0,1,0,0,0,0|1,0,0]=2 1673 B11R1.16 OCCC(O)c1cnccn1 Amb22298360 [0,1,0,0,0,0|2,0,0]=3 1674 B11R1.16 OCC[C@@H](O)c1ccccc1 Amb8516760 [0,1,0,0,0,0|0,0,0]=1 1675 B11R1.16 OCC[C@@H](O)c1ccncc1 Amb27668896 [0,1,0,0,0,0|1,0,0]=2 1676 B11R1.16 OCC[C@H](O)c1ccccn1 Amb27394769 [0,1,0,0,0,0|1,0,0]=2 1677 B11R1.16 OCOB(O)c1ccccc1 Amb33512956 [0,1,0,0,0,0|2,0,0]=3 1678 B11R1.16 OC\C=C(\Br)c1ccccc1 Amb28284946 [0,1,0,0,0,0|0,0,2]=3 1679 B11R1.16 ONCC(O)c1ccccc1 Amb4009046 [0,1,0,0,0,0|1,0,0]=2 1680 B11R1.16 ONCC(O)c1ccccn1 Amb17334345 [0,1,0,0,0,0|2,0,0]=3 1681 B11R1.16 ONCC(O)c1cccnc1 Amb17334346 [0,1,0,0,0,0|2,0,0]=3 1682 B11R1.16 ONCC(O)c1ccncc1 Amb17334347 [0,1,0,0,0,0|2,0,0]=3 1683 B11R1.16 O[C@@H](CCCl)c1ccccc1 Amb17611058 [0,1,0,0,0,0|1,0,0]=2 1684 B11R1.16 O[C@H](CCBr)c1ccccc1 Amb27437857 [0,1,0,0,0,0|1,0,0]=2 1685 B11R1.16 O[C@H](CCCl)c1ccccc1 Amb2779830 [0,1,0,0,0,0|1,0,0]=2 1686 B11R1.16 O[C@H](CCI)c1ccccc1 Amb27603615 [0,1,0,0,0,0|1,0,0]=2 1687 B11R1.16 [C-]#[N+]CC(C)c1ccccc1 Amb2684685 [0,1,0,0,0,0|2,0,0]=3 1688 B11R1.16 [C-]#[N+]CC(F)c1ccccc1 Amb27441196 [0,1,0,0,0,0|2,0,0]=3 1689 B11R1.17 BrCC#Cc1ccccc1Br Amb25891657 [0,1,0,0,0,0|1,0,2]=4 1690 B11R1.17 BrCC#Cc1ccccc1I Amb28284901 [0,1,0,0,0,0|1,0,2]=4 1691 B11R1.17 BrCCCc1ccccc1Br Amb26341120 [0,1,0,0,0,0|1,0,0]=2 1692 B11R1.17 BrCCCc1cccnc1Br Amb33388172 [0,1,0,0,0,0|2,0,0]=3 1693 B11R1.17 BrCCCc1ccncc1Br Amb24416596 [0,1,0,0,0,0|2,0,0]=3 1694 B11R1.17 BrCCCc1ncccc1Br Amb26654973 [0,1,0,0,0,0|2,0,0]=3 1695 B11R1.17 BrCCOc1ccccc1Br Amb6280497 [0,1,0,0,0,0|2,0,0]=3 1696 B11R1.17 BrCCOc1cccnc1Br Amb32988374 [0,1,0,0,0,0|3,0,0]=4 1697 B11R1.17 BrCCSc1ncccc1Br Amb27754896 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.17 C#CCCc1ccccc1Br Amb3991957 [0,1,0,0,0,0|1,0,1]=3 1699 B11R1.17 C#CCCc1ccccc1C Amb18636111 [0,1,0,0,0,0|1,0,1]=3 1700 B11R1.17 C#CCCc1ccccc1Cl Amb18116938 [0,1,0,0,0,0|1,0,1]=3 1701 B11R1.17 C#CCCc1ccccc1F Amb18636110 [0,1,0,0,0,0|1,0,1]=3 1702 B11R1.17 C#CCCc1ccccc1O Amb28253821 [0,1,0,0,0,0|1,0,1]=3 1703 B11R1.17 C#CCCc1cccnc1Br Amb33388110 [0,1,0,0,0,0|2,0,1]=4 1704 B11R1.17 C#CCCc1cccnc1C Amb32878342 [0,1,0,0,0,0|2,0,1]=4 1705 B11R1.17 C#CCCc1cccnc1Cl Amb33257070 [0,1,0,0,0,0|2,0,1]=4 1706 B11R1.17 C#CCCc1cccnc1F Amb33377147 [0,1,0,0,0,0|2,0,1]=4 1707 B11R1.17 C#CCCc1ccncc1Br Amb33388698 [0,1,0,0,0,0|2,0,1]=4 1708 B11R1.17 C#CCCc1ccncc1C Amb33426430 [0,1,0,0,0,0|2,0,1]=4 1709 B11R1.17 C#CCCc1ccncc1Cl Amb33413605 [0,1,0,0,0,0|2,0,1]=4 1710 B11R1.17 C#CCCc1ccncc1F Amb33316823 [0,1,0,0,0,0|2,0,1]=4 1711 B11R1.17 C#CCCc1cnccc1C Amb33375284 [0,1,0,0,0,0|2,0,1]=4 1712 B11R1.17 C#CCCc1ncccc1Br Amb33336113 [0,1,0,0,0,0|2,0,1]=4 1713 B11R1.17 C#CCCc1ncccc1C Amb33360224 [0,1,0,0,0,0|2,0,1]=4 1714 B11R1.17 C#CCCc1ncccc1F Amb33418416 [0,1,0,0,0,0|2,0,1]=4 1715 B11R1.17 C#CCNc1ccccc1F Amb27441677 [0,1,0,0,0,0|2,0,1]=4 1716 B11R1.17 C#CCNc1ccccc1I Amb27597826 [0,1,0,0,0,0|2,0,1]=4 1717 B11R1.17 C#CCOc1ccccc1Br Amb6263893 [0,1,0,0,0,0|2,0,1]=4 1718 B11R1.17 C#CCOc1ccccc1C Amb19373366 [0,1,0,0,0,0|2,0,1]=4 1719 B11R1.17 C#CCOc1ccccc1Cl Amb18183540 [0,1,0,0,0,0|2,0,1]=4 1720 B11R1.17 C#CCOc1ccccc1F Amb18799352 [0,1,0,0,0,0|2,0,1]=4 1721 B11R1.17 C#CCOc1ccccc1I Amb27217813 [0,1,0,0,0,0|2,0,1]=4 1722 B11R1.17 C#CCOc1ccccc1N Amb22492402 [0,1,0,0,0,0|2,0,1]=4 1723 B11R1.17 C#CCOc1ccccc1N Amb8389695 [0,1,0,0,0,0|2,0,1]=4 1724 B11R1.17 C#CCOc1ccccc1O Amb8837375 [0,1,0,0,0,0|2,0,1]=4 1725 B11R1.17 C#CCSc1ccccc1Br Amb28312974 [0,1,0,0,0,0|2,0,1]=4 1726 B11R1.17 C#CCSc1ccccc1F Amb18801036 [0,1,0,0,0,0|2,0,1]=4 1727 B11R1.17 C#CCSc1ccccc1N Amb6275344 [0,1,0,0,0,0|2,0,1]=4 1728 B11R1.17 C=CCCN1C=CC=CC1=O Amb27461258 [0,1,0,0,0,0|2,0,1]=4 1729 B11R1.17 C=CCCc1ccccc1N Amb18124836 [0,1,0,0,0,0|1,0,1]=3 1730 B11R1.17 C=CCCc1cccnc1N Amb25916395 [0,1,0,0,0,0|2,0,1]=4 1731 B11R1.17 C=CCCc1ccncc1Br Amb26462441 [0,1,0,0,0,0|2,0,1]=4 1732 B11R1.17 C=CCCc1ccncc1F Amb35711460 [0,1,0,0,0,0|2,0,1]=4 1733 B11R1.17 C=CCCc1cnccc1C Amb29864608 [0,1,0,0,0,0|2,0,1]=4 1734 B11R1.17 C=CCCc1ncccc1Br Amb27840078 [0,1,0,0,0,0|2,0,1]=4 1735 B11R1.17 C=CCNc1ccccc1Br Amb17306217 [0,1,0,0,0,0|2,0,1]=4 1736 B11R1.17 C=CCNc1ccccc1C Amb4035723 [0,1,0,0,0,0|2,0,1]=4 1737 B11R1.17 C=CCNc1ccccc1F Amb17306139 [0,1,0,0,0,0|2,0,1]=4 1738 B11R1.17 C=CCNc1ccccc1I Amb28285324 [0,1,0,0,0,0|2,0,1]=4 1739 B11R1.17 C=CCNc1ccccc1S Amb27870731 [0,1,0,0,0,0|2,0,1]=4 1740 B11R1.17 C=CCOc1ccccc1Br Amb4422143 [0,1,0,0,0,0|2,0,1]=4 1741 B11R1.17 C=CCOc1ccccc1C Amb2721161 [0,1,0,0,0,0|2,0,1]=4 1742 B11R1.17 C=CCOc1ccccc1Cl Amb3940570 [0,1,0,0,0,0|2,0,1]=4 1743 B11R1.17 C=CCOc1ccccc1F Amb2688315 [0,1,0,0,0,0|2,0,1]=4 1744 B11R1.17 C=CCOc1ccccc1I Amb24384940 [0,1,0,0,0,0|2,0,1]=4 1745 B11R1.17 C=CCOc1ccccc1N Amb2081548 [0,1,0,0,0,0|2,0,1]=4 1746 B11R1.17 C=CCOc1ccccc1N Amb2721826 [0,1,0,0,0,0|2,0,1]=4 1747 B11R1.17 C=CCOc1ccccc1O Amb8837354 [0,1,0,0,0,0|2,0,1]=4 1748 B11R1.17 C=CCSc1ccccc1Br Amb25188543 [0,1,0,0,0,0|2,0,1]=4 1749 B11R1.17 C=CCSc1ccccc1C Amb25231651 [0,1,0,0,0,0|2,0,1]=4 1750 B11R1.17 C=CCSc1ccccc1Cl Amb27218500 [0,1,0,0,0,0|2,0,1]=4 1751 B11R1.17 C=CCSc1ccccc1F Amb28319358 [0,1,0,0,0,0|2,0,1]=4 1752 B11R1.17 C=CCSc1ccccc1N Amb433020 [0,1,0,0,0,0|2,0,1]=4 1753 B11R1.17 C=CCSc1ccccc1O Amb18788504 [0,1,0,0,0,0|2,0,1]=4 1754 B11R1.17 CCC#Cc1ccccc1Br Amb27879801 [0,1,0,0,0,0|1,0,2]=4 1755 B11R1.17 CCC#Cc1ccccc1C Amb25891559 [0,1,0,0,0,0|1,0,2]=4 1756 B11R1.17 CCC#Cc1ccccc1Cl Amb25198269 [0,1,0,0,0,0|1,0,2]=4 1757 B11R1.17 CCC#Cc1ccccc1F Amb26984263 [0,1,0,0,0,0|1,0,2]=4 1758 B11R1.17 CCC#Cc1ccccc1I Amb24447638 [0,1,0,0,0,0|1,0,2]=4 1759 B11R1.17 CCC#Cc1ccccc1N Amb24670207 [0,1,0,0,0,0|1,0,2]=4 1760 B11R1.17 CCC#Cc1ccccc1O Amb25320119 [0,1,0,0,0,0|1,0,2]=4 1761 B11R1.17 CCCCC1=CN=CNC1=S Amb27750740 [0,1,0,0,0,0|3,0,0]=4 1762 B11R1.17 CCCCN1C=CC=CC1=S Amb24415294 [0,1,0,0,0,0|2,0,0]=3 1763 B11R1.17 CCCCN1C=NC=CC1=O Amb22522708 [0,1,0,0,0,0|3,0,0]=4 1764 B11R1.17 CCCCc1ccccc1Br Amb15690808 [0,1,0,0,0,0|1,0,0]=2 1765 B11R1.17 CCCCc1ccccc1C Amb25825024 [0,1,0,0,0,0|1,0,0]=2 1766 B11R1.17 CCCCc1ccccc1F Amb24426932 [0,1,0,0,0,0|1,0,0]=2 1767 B11R1.17 CCCCc1ccccc1I Amb25955656 [0,1,0,0,0,0|1,0,0]=2 1768 B11R1.17 CCCCc1ccccc1N Amb4037102 [0,1,0,0,0,0|1,0,0]=2 1769 B11R1.17 CCCCc1ccccc1O Amb25744605 [0,1,0,0,0,0|1,0,0]=2 1770 B11R1.17 CCCCc1cccnc1Br Amb33038909 [0,1,0,0,0,0|2,0,0]=3 1771 B11R1.17 CCCCc1cccnc1N Amb8386853 [0,1,0,0,0,0|2,0,0]=3 1772 B11R1.17 CCCCc1ccncc1N Amb27666549 [0,1,0,0,0,0|2,0,0]=3 1773 B11R1.17 CCCCc1cnccc1N Amb25785815 [0,1,0,0,0,0|2,0,0]=3 1774 B11R1.17 CCCCc1cnccc1O Amb33189016 [0,1,0,0,0,0|2,0,0]=3 1775 B11R1.17 CCCCc1ncccc1N Amb26848966 [0,1,0,0,0,0|2,0,0]=3 1776 B11R1.17 CCCCc1ncccc1O Amb27483034 [0,1,0,0,0,0|2,0,0]=3 1777 B11R1.17 CCCCc1nccnc1Br Amb27653340 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.17 CCCCc1nccnc1C Amb22234797 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.17 CCCCc1nccnc1Cl Amb34182524 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.17 CCCCc1nccnc1N Amb22495916 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.17 CCCCc1ncncc1Br Amb10068155 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.17 CCCCc1ncncc1O Amb27764280 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.17 CCCNc1ccccc1Br Amb6696451 [0,1,0,0,0,0|2,0,0]=3 1784 B11R1.17 CCCNc1ccccc1C Amb6701222 [0,1,0,0,0,0|2,0,0]=3 1785 B11R1.17 CCCNc1ccccc1Cl Amb4313502 [0,1,0,0,0,0|2,0,0]=3 1786 B11R1.17 CCCNc1ccccc1F Amb6697369 [0,1,0,0,0,0|2,0,0]=3 1787 B11R1.17 CCCNc1ccccc1N Amb440116 [0,1,0,0,0,0|2,0,0]=3 1788 B11R1.17 CCCNc1cccnc1F Amb35725083 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.17 CCCNc1ccncc1C Amb28437320 [0,1,0,0,0,0|3,0,0]=4 1790 B11R1.17 CCCNc1ccncc1N Amb9205187 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.17 CCCNc1cnccc1C Amb27436805 [0,1,0,0,0,0|3,0,0]=4 1792 B11R1.17 CCCNc1cnccc1Cl Amb27814860 [0,1,0,0,0,0|3,0,0]=4 1793 B11R1.17 CCCNc1ncccc1C Amb18987728 [0,1,0,0,0,0|3,0,0]=4 1794 B11R1.17 CCCNc1ncccc1F Amb18300627 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.17 CCCNc1ncccc1N Amb20668081 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.17 CCCNc1ncccc1N Amb7767452 [0,1,0,0,0,0|3,0,0]=4 1797 B11R1.17 CCCOC1=CC=CNC1=O Amb18034627 [0,1,0,0,0,0|3,0,0]=4 1798 B11R1.17 CCCOc1ccccc1Br Amb6267012 [0,1,0,0,0,0|2,0,0]=3 1799 B11R1.17 CCCOc1ccccc1F Amb21856719 [0,1,0,0,0,0|2,0,0]=3 1800 B11R1.17 CCCOc1ccccc1I Amb27171983 [0,1,0,0,0,0|2,0,0]=3 1801 B11R1.17 CCCOc1ccccc1N Amb1210617 [0,1,0,0,0,0|2,0,0]=3 1802 B11R1.17 CCCOc1ccccc1N Amb840073 [0,1,0,0,0,0|2,0,0]=3 1803 B11R1.17 CCCOc1ccccc1O Amb433886 [0,1,0,0,0,0|2,0,0]=3 1804 B11R1.17 CCCOc1ccccc1S Amb28399283 [0,1,0,0,0,0|2,0,0]=3 1805 B11R1.17 CCCOc1cccnc1Br Amb24321030 [0,1,0,0,0,0|3,0,0]=4 1806 B11R1.17 CCCOc1cccnc1C Amb27668969 [0,1,0,0,0,0|3,0,0]=4 1807 B11R1.17 CCCOc1cccnc1I Amb27477526 [0,1,0,0,0,0|3,0,0]=4 1808 B11R1.17 CCCOc1cccnc1N Amb9208357 [0,1,0,0,0,0|3,0,0]=4 1809 B11R1.17 CCCOc1ccncc1Br Amb24320776 [0,1,0,0,0,0|3,0,0]=4 1810 B11R1.17 CCCOc1ccncc1N Amb8874526 [0,1,0,0,0,0|3,0,0]=4 1811 B11R1.17 CCCOc1cnccc1Cl Amb24055245 [0,1,0,0,0,0|3,0,0]=4 1812 B11R1.17 CCCOc1cnccc1N Amb24320961 [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.17 CCCOc1ncccc1Br Amb19959527 [0,1,0,0,0,0|3,0,0]=4 1814 B11R1.17 CCCOc1ncccc1Cl Amb27962160 [0,1,0,0,0,0|3,0,0]=4 1815 B11R1.17 CCCOc1ncccc1N Amb8874532 [0,1,0,0,0,0|3,0,0]=4 1816 B11R1.17 CCCOc1ncccc1O Amb27645342 [0,1,0,0,0,0|3,0,0]=4 1817 B11R1.17 CCCSc1ccccc1Br Amb28046780 [0,1,0,0,0,0|2,0,0]=3 1818 B11R1.17 CCCSc1ccccc1Cl Amb25957434 [0,1,0,0,0,0|2,0,0]=3 1819 B11R1.17 CCCSc1ccccc1F Amb27752807 [0,1,0,0,0,0|2,0,0]=3 1820 B11R1.17 CCCSc1ccccc1N Amb22588094 [0,1,0,0,0,0|2,0,0]=3 1821 B11R1.17 CCCSc1ccccc1N Amb6276699 [0,1,0,0,0,0|2,0,0]=3 1822 B11R1.17 CCCSc1ccccc1S Amb26323053 [0,1,0,0,0,0|2,0,0]=3 1823 B11R1.17 CCCSc1ncccc1N Amb6680310 [0,1,0,0,0,0|3,0,0]=4 1824 B11R1.17 CCCSc1ncccc1O Amb33295106 [0,1,0,0,0,0|3,0,0]=4 1825 B11R1.17 CCNCc1ccccc1Br Amb28872271 [0,1,0,0,0,0|2,0,0]=3 1826 B11R1.17 CCNCc1ccccc1Br Amb6243296 [0,1,0,0,0,0|2,0,0]=3 1827 B11R1.17 CCNCc1ccccc1C Amb5785552 [0,1,0,0,0,0|2,0,0]=3 1828 B11R1.17 CCNCc1ccccc1C Amb6865250 [0,1,0,0,0,0|2,0,0]=3 1829 B11R1.17 CCNCc1ccccc1Cl Amb5785551 [0,1,0,0,0,0|2,0,0]=3 1830 B11R1.17 CCNCc1ccccc1Cl Amb6542581 [0,1,0,0,0,0|2,0,0]=3 1831 B11R1.17 CCNCc1ccccc1F Amb5785550 [0,1,0,0,0,0|2,0,0]=3 1832 B11R1.17 CCNCc1ccccc1F Amb6865249 [0,1,0,0,0,0|2,0,0]=3 1833 B11R1.17 CCNCc1ccccc1N Amb28973216 [0,1,0,0,0,0|2,0,0]=3 1834 B11R1.17 CCNCc1ccccc1N Amb7173571 [0,1,0,0,0,0|2,0,0]=3 1835 B11R1.17 CCNCc1ccccc1O Amb6257868 [0,1,0,0,0,0|2,0,0]=3 1836 B11R1.17 CCNCc1cccnc1Cl Amb29848142 [0,1,0,0,0,0|3,0,0]=4 1837 B11R1.17 CCNCc1ccncc1Br Amb25695866 [0,1,0,0,0,0|3,0,0]=4 1838 B11R1.17 CCNCc1ccncc1Cl Amb27978641 [0,1,0,0,0,0|3,0,0]=4 1839 B11R1.17 CCNCc1ccncc1O Amb27494612 [0,1,0,0,0,0|3,0,0]=4 1840 B11R1.17 CCNCc1cnccc1C Amb18125201 [0,1,0,0,0,0|3,0,0]=4 1841 B11R1.17 CCNCc1cnccc1Cl Amb27237102 [0,1,0,0,0,0|3,0,0]=4 1842 B11R1.17 CCNCc1cnccc1N Amb28388519 [0,1,0,0,0,0|3,0,0]=4 1843 B11R1.17 CCNCc1ncccc1C Amb18296368 [0,1,0,0,0,0|3,0,0]=4 1844 B11R1.17 CCNCc1ncccc1F Amb28398171 [0,1,0,0,0,0|3,0,0]=4 1845 B11R1.17 CCOCC1=CC=CNC1=O Amb27186324 [0,1,0,0,0,0|3,0,0]=4 1846 B11R1.17 CCOCN1C=CC=CC1=O Amb27461241 [0,1,0,0,0,0|3,0,0]=4 1847 B11R1.17 CCOCc1ccccc1Br Amb22227882 [0,1,0,0,0,0|2,0,0]=3 1848 B11R1.17 CCOCc1ccccc1N Amb6245712 [0,1,0,0,0,0|2,0,0]=3 1849 B11R1.17 CCOCc1ccccc1O Amb10560038 [0,1,0,0,0,0|2,0,0]=3 1850 B11R1.17 CCSCc1ccccc1Br Amb22228180 [0,1,0,0,0,0|2,0,0]=3 1851 B11R1.17 CCSCc1ccccc1Cl Amb25676288 [0,1,0,0,0,0|2,0,0]=3 1852 B11R1.17 CCSCc1ccccc1F Amb26622298 [0,1,0,0,0,0|2,0,0]=3 1853 B11R1.17 CCSCc1cccnc1N Amb18298620 [0,1,0,0,0,0|3,0,0]=4 1854 B11R1.17 CC\C=C\c1ccccc1N Amb22751020 [0,1,0,0,0,0|1,0,2]=4 1855 B11R1.17 CC\C=C\c1ccccc1O Amb18124914 [0,1,0,0,0,0|1,0,2]=4 1856 B11R1.17 CC\N=C\c1ccccc1N Amb25991917 [0,1,0,0,0,0|2,0,1]=4 1857 B11R1.17 CN1C=CC=C\C1=N/CCO Amb27637720 [0,1,0,0,0,0|2,0,0]=3 1858 B11R1.17 CNCCC1=CC=CNC1=O Amb27442144 [0,1,0,0,0,0|3,0,0]=4 1859 B11R1.17 CNCCc1ccccc1Br Amb18299468 [0,1,0,0,0,0|2,0,0]=3 1860 B11R1.17 CNCCc1ccccc1Br Amb33313471 [0,1,0,0,0,0|2,0,0]=3 1861 B11R1.17 CNCCc1ccccc1C Amb19959980 [0,1,0,0,0,0|2,0,0]=3 1862 B11R1.17 CNCCc1ccccc1C Amb8841496 [0,1,0,0,0,0|2,0,0]=3 1863 B11R1.17 CNCCc1ccccc1Cl Amb8853664 [0,1,0,0,0,0|2,0,0]=3 1864 B11R1.17 CNCCc1ccccc1F Amb6710685 [0,1,0,0,0,0|2,0,0]=3 1865 B11R1.17 CNCCc1ccccc1O Amb18560895 [0,1,0,0,0,0|2,0,0]=3 1866 B11R1.17 CNCCc1ccccc1O Amb30584750 [0,1,0,0,0,0|2,0,0]=3 1867 B11R1.17 CNCCc1cccnc1Br Amb33389453 [0,1,0,0,0,0|3,0,0]=4 1868 B11R1.17 CNCCc1cccnc1C Amb24635443 [0,1,0,0,0,0|3,0,0]=4 1869 B11R1.17 CNCCc1cccnc1Cl Amb33256856 [0,1,0,0,0,0|3,0,0]=4 1870 B11R1.17 CNCCc1cccnc1F Amb33377639 [0,1,0,0,0,0|3,0,0]=4 1871 B11R1.17 CNCCc1cccnc1N Amb27170722 [0,1,0,0,0,0|3,0,0]=4 1872 B11R1.17 CNCCc1ccncc1Br Amb33451218 [0,1,0,0,0,0|3,0,0]=4 1873 B11R1.17 CNCCc1ccncc1C Amb25977379 [0,1,0,0,0,0|3,0,0]=4 1874 B11R1.17 CNCCc1ccncc1Cl Amb27804415 [0,1,0,0,0,0|3,0,0]=4 1875 B11R1.17 CNCCc1ccncc1F Amb24593125 [0,1,0,0,0,0|3,0,0]=4 1876 B11R1.17 CNCCc1cnccc1C Amb26933148 [0,1,0,0,0,0|3,0,0]=4 1877 B11R1.17 CNCCc1ncccc1Br Amb18657771 [0,1,0,0,0,0|3,0,0]=4 1878 B11R1.17 CNCCc1ncccc1C Amb18125193 [0,1,0,0,0,0|3,0,0]=4 1879 B11R1.17 CNCCc1ncccc1Cl Amb18126745 [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.17 CNCCc1ncccc1F Amb24636895 [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.17 COCC[n+]1ccccc1Cl Amb27852703 [0,1,0,0,0,0|3,0,0]=4 1882 B11R1.17 COCCc1cccc[n+]1[O-] Amb10573566 [0,1,0,0,0,0|3,0,0]=4 1883 B11R1.17 COCCc1ccccc1Br Amb4021414 [0,1,0,0,0,0|2,0,0]=3 1884 B11R1.17 COCCc1ccccc1N Amb18992153 [0,1,0,0,0,0|2,0,0]=3 1885 B11R1.17 COCCc1ccccc1O Amb33552299 [0,1,0,0,0,0|2,0,0]=3 1886 B11R1.17 COCCc1cccnc1N Amb27459527 [0,1,0,0,0,0|3,0,0]=4 1887 B11R1.17 COCCc1ncccc1O Amb27452504 [0,1,0,0,0,0|3,0,0]=4 1888 B11R1.17 COCOc1ccccc1Br Amb21912438 [0,1,0,0,0,0|3,0,0]=4 1889 B11R1.17 COCOc1ccccc1C Amb10559613 [0,1,0,0,0,0|3,0,0]=4 1890 B11R1.17 COCOc1ccccc1Cl Amb25840223 [0,1,0,0,0,0|3,0,0]=4 1891 B11R1.17 COCOc1ccccc1F Amb22546792 [0,1,0,0,0,0|3,0,0]=4 1892 B11R1.17 COCOc1ccccc1I Amb22284514 [0,1,0,0,0,0|3,0,0]=4 1893 B11R1.17 COCOc1ccccc1N Amb23599107 [0,1,0,0,0,0|3,0,0]=4 1894 B11R1.17 COCSc1ccccc1Br Amb27605149 [0,1,0,0,0,0|3,0,0]=4 1895 B11R1.17 COCSc1ccccc1C Amb27775698 [0,1,0,0,0,0|3,0,0]=4 1896 B11R1.17 COCSc1ccccc1F Amb28282291 [0,1,0,0,0,0|3,0,0]=4 1897 B11R1.17 COCSc1ccccc1O Amb27754976 [0,1,0,0,0,0|3,0,0]=4 1898 B11R1.17 CONCc1ccccc1Br Amb27471699 [0,1,0,0,0,0|3,0,0]=4 1899 B11R1.17 CONCc1ccccc1C Amb28055849 [0,1,0,0,0,0|3,0,0]=4 1900 B11R1.17 CONCc1ccccc1Cl Amb26643050 [0,1,0,0,0,0|3,0,0]=4 1901 B11R1.17 CONCc1ccccc1Cl Amb33552565 [0,1,0,0,0,0|3,0,0]=4 1902 B11R1.17 CONCc1ccccc1F Amb24725975 [0,1,0,0,0,0|3,0,0]=4 1903 B11R1.17 CSCCc1ccccc1N Amb18299122 [0,1,0,0,0,0|2,0,0]=3 1904 B11R1.17 C\C=C\Cc1ccccc1O Amb3940146 [0,1,0,0,0,0|1,0,2]=4 1905 B11R1.17 Cc1ccccc1C#CCBr Amb25032502 [0,1,0,0,0,0|1,0,2]=4 1906 B11R1.17 Cc1ccccc1C#CCCl Amb18792614 [0,1,0,0,0,0|1,0,2]=4 1907 B11R1.17 Cc1ccccc1C#CCF Amb25026923 [0,1,0,0,0,0|1,0,2]=4 1908 B11R1.17 Cc1ccccc1C#CCI Amb28120130 [0,1,0,0,0,0|1,0,2]=4 1909 B11R1.17 Cc1ccccc1C#CCN Amb18949803 [0,1,0,0,0,0|1,0,2]=4 1910 B11R1.17 Cc1ccccc1C#CCO Amb25117588 [0,1,0,0,0,0|0,0,2]=3 1911 B11R1.17 Cc1ccccc1CCC#N Amb17204295 [0,1,0,0,0,0|1,0,1]=3 1912 B11R1.17 Cc1ccccc1CCC=O Amb6306217 [0,1,0,0,0,0|0,0,2]=3 1913 B11R1.17 Cc1ccccc1CCCBr Amb17104552 [0,1,0,0,0,0|1,0,0]=2 1914 B11R1.17 Cc1ccccc1CCCCl Amb17104525 [0,1,0,0,0,0|1,0,0]=2 1915 B11R1.17 Cc1ccccc1CCCN Amb33743608 [0,1,0,0,0,0|1,0,0]=2 1916 B11R1.17 Cc1ccccc1CCCN Amb5735477 [0,1,0,0,0,0|1,0,0]=2 1917 B11R1.17 Cc1ccccc1CCCO Amb17089494 [0,1,0,0,0,0|0,0,0]=1 1918 B11R1.17 Cc1ccccc1CCCS Amb17400218 [0,1,0,0,0,0|0,1,0]=2 1919 B11R1.17 Cc1ccccc1CCNN Amb6242730 [0,1,0,0,0,0|2,0,0]=3 1920 B11R1.17 Cc1ccccc1CCON Amb26991554 [0,1,0,0,0,0|2,0,0]=3 1921 B11R1.17 Cc1ccccc1CC[Zn]Br Amb22000497 [0,1,0,0,0,0|2,0,0]=3 1922 B11R1.17 Cc1ccccc1CN=C=O Amb3941010 [0,1,0,0,0,0|1,0,2]=4 1923 B11R1.17 Cc1ccccc1CN=C=S Amb2689351 [0,1,0,0,0,0|1,1,1]=4 1924 B11R1.17 Cc1ccccc1CN=[N+]=[N-] Amb32652772 [0,1,0,0,0,0|3,0,0]=4 1925 B11R1.17 Cc1ccccc1CN=[N+]=[N-] Amb8938150 [0,1,0,0,0,0|3,0,0]=4 1926 B11R1.17 Cc1ccccc1CNC#N Amb16186975 [0,1,0,0,0,0|2,0,1]=4 1927 B11R1.17 Cc1ccccc1CNC=O Amb21859038 [0,1,0,0,0,0|1,0,2]=4 1928 B11R1.17 Cc1ccccc1COC=O Amb17778964 [0,1,0,0,0,0|1,0,2]=4 1929 B11R1.17 Cc1ccccc1CSC#N Amb17778963 [0,1,0,0,0,0|2,0,1]=4 1930 B11R1.17 Cc1ccccc1NCC#N Amb6714251 [0,1,0,0,0,0|2,0,1]=4 1931 B11R1.17 Cc1ccccc1NCCBr Amb27481681 [0,1,0,0,0,0|2,0,0]=3 1932 B11R1.17 Cc1ccccc1NCCCl Amb17334785 [0,1,0,0,0,0|2,0,0]=3 1933 B11R1.17 Cc1ccccc1NCCN Amb17057744 [0,1,0,0,0,0|2,0,0]=3 1934 B11R1.17 Cc1ccccc1NCCO Amb2720820 [0,1,0,0,0,0|1,0,0]=2 1935 B11R1.17 Cc1ccccc1OCC#N Amb4036310 [0,1,0,0,0,0|2,0,1]=4 1936 B11R1.17 Cc1ccccc1OCC=O Amb5731819 [0,1,0,0,0,0|1,0,2]=4 1937 B11R1.17 Cc1ccccc1OCCBr Amb1105693 [0,1,0,0,0,0|2,0,0]=3 1938 B11R1.17 Cc1ccccc1OCCCl Amb5559281 [0,1,0,0,0,0|2,0,0]=3 1939 B11R1.17 Cc1ccccc1OCCF Amb26588103 [0,1,0,0,0,0|2,0,0]=3 1940 B11R1.17 Cc1ccccc1OCCN Amb1098984 [0,1,0,0,0,0|2,0,0]=3 1941 B11R1.17 Cc1ccccc1OCCN Amb2052283 [0,1,0,0,0,0|2,0,0]=3 1942 B11R1.17 Cc1ccccc1OCCO Amb2209345 [0,1,0,0,0,0|1,0,0]=2 1943 B11R1.17 Cc1ccccc1OCCS Amb6255243 [0,1,0,0,0,0|1,1,0]=3 1944 B11R1.17 Cc1ccccc1SCC#N Amb18792512 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.17 Cc1ccccc1SCC=O Amb18183536 [0,1,0,0,0,0|1,0,2]=4 1946 B11R1.17 Cc1ccccc1SCCF Amb27853875 [0,1,0,0,0,0|2,0,0]=3 1947 B11R1.17 Cc1ccccc1SCCN Amb18992759 [0,1,0,0,0,0|2,0,0]=3 1948 B11R1.17 Cc1ccccc1SCCO Amb18180155 [0,1,0,0,0,0|1,0,0]=2 1949 B11R1.17 Cc1ccccc1\C=C\CCl Amb27831983 [0,1,0,0,0,0|1,0,2]=4 1950 B11R1.17 Cc1ccccc1\C=C\CN Amb18065178 [0,1,0,0,0,0|1,0,2]=4 1951 B11R1.17 Cc1ccccc1\C=C\CO Amb23442935 [0,1,0,0,0,0|0,0,2]=3 1952 B11R1.17 Cc1cccnc1CCC#N Amb24085237 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.17 Cc1cccnc1CCCBr Amb33451722 [0,1,0,0,0,0|2,0,0]=3 1954 B11R1.17 Cc1cccnc1CCCN Amb22886485 [0,1,0,0,0,0|2,0,0]=3 1955 B11R1.17 Cc1cccnc1CCCN Amb26458764 [0,1,0,0,0,0|2,0,0]=3 1956 B11R1.17 Cc1cccnc1CCCO Amb24685021 [0,1,0,0,0,0|1,0,0]=2 1957 B11R1.17 Cc1cccnc1CCCS Amb33360199 [0,1,0,0,0,0|1,1,0]=3 1958 B11R1.17 Cc1cccnc1CCNN Amb35731469 [0,1,0,0,0,0|3,0,0]=4 1959 B11R1.17 Cc1cccnc1CCON Amb33429250 [0,1,0,0,0,0|3,0,0]=4 1960 B11R1.17 Cc1cccnc1NCCCl Amb27761712 [0,1,0,0,0,0|3,0,0]=4 1961 B11R1.17 Cc1cccnc1NCCN Amb10607838 [0,1,0,0,0,0|3,0,0]=4 1962 B11R1.17 Cc1cccnc1NCCS Amb27840266 [0,1,0,0,0,0|2,1,0]=4 1963 B11R1.17 Cc1cccnc1OCCN Amb18988881 [0,1,0,0,0,0|3,0,0]=4 1964 B11R1.17 Cc1cccnc1SCCBr Amb35616290 [0,1,0,0,0,0|3,0,0]=4 1965 B11R1.17 Cc1cccnc1SCCCl Amb18329822 [0,1,0,0,0,0|3,0,0]=4 1966 B11R1.17 Cc1cccnc1SCCN Amb18908765 [0,1,0,0,0,0|3,0,0]=4 1967 B11R1.17 Cc1cccnc1SCCO Amb18185610 [0,1,0,0,0,0|2,0,0]=3 1968 B11R1.17 Cc1cccnc1SCCS Amb29879779 [0,1,0,0,0,0|2,1,0]=4 1969 B11R1.17 Cc1cccnc1\C=C\CO Amb33428736 [0,1,0,0,0,0|1,0,2]=4 1970 B11R1.17 Cc1ccncc1CCC#N Amb33377100 [0,1,0,0,0,0|2,0,1]=4 1971 B11R1.17 Cc1ccncc1CCC=O Amb27971665 [0,1,0,0,0,0|1,0,2]=4 1972 B11R1.17 Cc1ccncc1CCCBr Amb25089629 [0,1,0,0,0,0|2,0,0]=3 1973 B11R1.17 Cc1ccncc1CCCBr Amb33743790 [0,1,0,0,0,0|2,0,0]=3 1974 B11R1.17 Cc1ccncc1CCCCl Amb27465644 [0,1,0,0,0,0|2,0,0]=3 1975 B11R1.17 Cc1ccncc1CCCN Amb26590860 [0,1,0,0,0,0|2,0,0]=3 1976 B11R1.17 Cc1ccncc1CCCO Amb25717118 [0,1,0,0,0,0|1,0,0]=2 1977 B11R1.17 Cc1ccncc1CCCS Amb33375260 [0,1,0,0,0,0|1,1,0]=3 1978 B11R1.17 Cc1ccncc1CCON Amb33376748 [0,1,0,0,0,0|3,0,0]=4 1979 B11R1.17 Cc1ccncc1OCCBr Amb32988382 [0,1,0,0,0,0|3,0,0]=4 1980 B11R1.17 Cc1ccncc1OCCN Amb33377415 [0,1,0,0,0,0|3,0,0]=4 1981 B11R1.17 Cc1ccncc1\C=C\CO Amb33226224 [0,1,0,0,0,0|1,0,2]=4 1982 B11R1.17 Cc1cnccc1C#CCO Amb28125077 [0,1,0,0,0,0|1,0,2]=4 1983 B11R1.17 Cc1cnccc1CCC#N Amb27788732 [0,1,0,0,0,0|2,0,1]=4 1984 B11R1.17 Cc1cnccc1CCC=O Amb33426427 [0,1,0,0,0,0|1,0,2]=4 1985 B11R1.17 Cc1cnccc1CCCBr Amb24611779 [0,1,0,0,0,0|2,0,0]=3 1986 B11R1.17 Cc1cnccc1CCCN Amb25916323 [0,1,0,0,0,0|2,0,0]=3 1987 B11R1.17 Cc1cnccc1CCCO Amb10573523 [0,1,0,0,0,0|1,0,0]=2 1988 B11R1.17 Cc1cnccc1CCCS Amb33426104 [0,1,0,0,0,0|1,1,0]=3 1989 B11R1.17 Cc1cnccc1CCON Amb33414181 [0,1,0,0,0,0|3,0,0]=4 1990 B11R1.17 Cc1cnccc1NCCN Amb8503377 [0,1,0,0,0,0|3,0,0]=4 1991 B11R1.17 Cc1cnccc1OCCN Amb27401371 [0,1,0,0,0,0|3,0,0]=4 1992 B11R1.17 Cc1cnccc1SCCO Amb27950192 [0,1,0,0,0,0|2,0,0]=3 1993 B11R1.17 Cc1cnccc1\C=C\CO Amb33414325 [0,1,0,0,0,0|1,0,2]=4 1994 B11R1.17 Cc1cncnc1CCCN Amb18201574 [0,1,0,0,0,0|3,0,0]=4 1995 B11R1.17 Cc1ncccc1CCC#N Amb32954009 [0,1,0,0,0,0|2,0,1]=4 1996 B11R1.17 Cc1ncccc1CCC=O Amb32879664 [0,1,0,0,0,0|1,0,2]=4 1997 B11R1.17 Cc1ncccc1CCCBr Amb33432593 [0,1,0,0,0,0|2,0,0]=3 1998 B11R1.17 Cc1ncccc1CCCN Amb26975097 [0,1,0,0,0,0|2,0,0]=3 1999 B11R1.17 Cc1ncccc1CCCO Amb24360630 [0,1,0,0,0,0|1,0,0]=2 2000 B11R1.17 Cc1ncccc1CCCS Amb32878313 [0,1,0,0,0,0|1,1,0]=3 2001 B11R1.17 Cc1ncccc1CCON Amb32879317 [0,1,0,0,0,0|3,0,0]=4 2002 B11R1.17 Cc1ncccc1NCCN Amb28365662 [0,1,0,0,0,0|3,0,0]=4 2003 B11R1.17 Cc1ncccc1OCCBr Amb25046512 [0,1,0,0,0,0|3,0,0]=4 2004 B11R1.17 Cc1ncccc1OCCN Amb26447701 [0,1,0,0,0,0|3,0,0]=4 2005 B11R1.17 Cc1ncccc1OCCO Amb24101976 [0,1,0,0,0,0|2,0,0]=3 2006 B11R1.17 Cc1ncccc1\C=C\CO Amb32878967 [0,1,0,0,0,0|1,0,2]=4 2007 B11R1.17 Cc1nccnc1CCCBr Amb33431494 [0,1,0,0,0,0|3,0,0]=4 2008 B11R1.17 Cc1nccnc1CCCN Amb18201572 [0,1,0,0,0,0|3,0,0]=4 2009 B11R1.17 Cc1nccnc1CCCO Amb33141633 [0,1,0,0,0,0|2,0,0]=3 2010 B11R1.17 Cc1nccnc1CCCS Amb33141696 [0,1,0,0,0,0|2,1,0]=4 2011 B11R1.17 Cc1ncncc1CCCBr Amb33006841 [0,1,0,0,0,0|3,0,0]=4 2012 B11R1.17 Cc1ncncc1CCCN Amb33472510 [0,1,0,0,0,0|3,0,0]=4 2013 B11R1.17 Cc1ncncc1CCCO Amb33149098 [0,1,0,0,0,0|2,0,0]=3 2014 B11R1.17 Cc1ncncc1CCCS Amb32876669 [0,1,0,0,0,0|2,1,0]=4 2015 B11R1.17 ClCC#Cc1ccccc1Br Amb26460989 [0,1,0,0,0,0|1,0,2]=4 2016 B11R1.17 ClCC#Cc1ccccc1Cl Amb18319857 [0,1,0,0,0,0|1,0,2]=4 2017 B11R1.17 ClCC#Cc1ccccc1I Amb27764269 [0,1,0,0,0,0|1,0,2]=4 2018 B11R1.17 ClCCCc1ccccc1Br Amb26508575 [0,1,0,0,0,0|1,0,0]=2 2019 B11R1.17 ClCCCc1ccccc1Cl Amb17104533 [0,1,0,0,0,0|1,0,0]=2 2020 B11R1.17 ClCCCc1ccncc1Br Amb32689599 [0,1,0,0,0,0|2,0,0]=3 2021 B11R1.17 ClCCCc1ccncc1Cl Amb25344160 [0,1,0,0,0,0|2,0,0]=3 2022 B11R1.17 ClCCCc1ncccc1Br Amb25089986 [0,1,0,0,0,0|2,0,0]=3 2023 B11R1.17 ClCCCc1ncccc1Cl Amb32690847 [0,1,0,0,0,0|2,0,0]=3 2024 B11R1.17 ClCCNc1ccccc1Br Amb17346196 [0,1,0,0,0,0|2,0,0]=3 2025 B11R1.17 ClCCNc1ccccc1Cl Amb17336180 [0,1,0,0,0,0|2,0,0]=3 2026 B11R1.17 ClCCNc1ccncc1Br Amb28050806 [0,1,0,0,0,0|3,0,0]=4 2027 B11R1.17 ClCCOc1ccccc1Br Amb4477181 [0,1,0,0,0,0|2,0,0]=3 2028 B11R1.17 ClCCOc1ccccc1Cl Amb8828429 [0,1,0,0,0,0|2,0,0]=3 2029 B11R1.17 ClCCSc1ccccc1Cl Amb8827948 [0,1,0,0,0,0|2,0,0]=3 2030 B11R1.17 ClCCSc1ccncc1Br Amb28123863 [0,1,0,0,0,0|3,0,0]=4 2031 B11R1.17 ClCCSc1ncccc1Br Amb28058208 [0,1,0,0,0,0|3,0,0]=4 2032 B11R1.17 ClCSCc1ccccc1Cl Amb28456984 [0,1,0,0,0,0|2,0,0]=3 2033 B11R1.17 ClC\C=C\c1ccccc1Cl Amb27592206 [0,1,0,0,0,0|1,0,2]=4 2034 B11R1.17 Clc1ccccc1C#CCBr Amb27807441 [0,1,0,0,0,0|1,0,2]=4 2035 B11R1.17 Clc1ccccc1C#CCI Amb24447633 [0,1,0,0,0,0|1,0,2]=4 2036 B11R1.17 Clc1ccccc1CCCBr Amb17104560 [0,1,0,0,0,0|1,0,0]=2 2037 B11R1.17 Clc1ccccc1OCCBr Amb1150980 [0,1,0,0,0,0|2,0,0]=3 2038 B11R1.17 Clc1ccccc1OCCI Amb28056714 [0,1,0,0,0,0|2,0,0]=3 2039 B11R1.17 Clc1ccccc1\C=C\CBr Amb8392445 [0,1,0,0,0,0|1,0,2]=4 2040 B11R1.17 Clc1cccnc1CCCBr Amb32690848 [0,1,0,0,0,0|2,0,0]=3 2041 B11R1.17 Clc1cccnc1SCCBr Amb27238474 [0,1,0,0,0,0|3,0,0]=4 2042 B11R1.17 Clc1cnccc1CCCBr Amb25851696 [0,1,0,0,0,0|2,0,0]=3 2043 B11R1.17 Clc1ncccc1CCCBr Amb33389022 [0,1,0,0,0,0|2,0,0]=3 2044 B11R1.17 Clc1ncccc1OCCBr Amb32988373 [0,1,0,0,0,0|3,0,0]=4 2045 B11R1.17 Cn1cccc\c1=N/CCO Amb24106772 [0,1,0,0,0,0|2,0,0]=3 2046 B11R1.17 FCC#Cc1ccccc1Br Amb25252787 [0,1,0,0,0,0|1,0,2]=4 2047 B11R1.17 FCC#Cc1ccccc1Cl Amb25330678 [0,1,0,0,0,0|1,0,2]=4 2048 B11R1.17 FCC#Cc1ccccc1F Amb26325960 [0,1,0,0,0,0|1,0,2]=4 2049 B11R1.17 FCC#Cc1ccccc1I Amb25027319 [0,1,0,0,0,0|1,0,2]=4 2050 B11R1.17 FCCNc1ccccc1Br Amb27596368 [0,1,0,0,0,0|2,0,0]=3 2051 B11R1.17 FCCNc1ccccc1Cl Amb27868080 [0,1,0,0,0,0|2,0,0]=3 2052 B11R1.17 FCCNc1ccncc1F Amb30035770 [0,1,0,0,0,0|3,0,0]=4 2053 B11R1.17 FCCNc1ncccc1Br Amb27249939 [0,1,0,0,0,0|3,0,0]=4 2054 B11R1.17 FCCOc1ccccc1Br Amb27391893 [0,1,0,0,0,0|2,0,0]=3 2055 B11R1.17 FCCOc1ccccc1I Amb28072521 [0,1,0,0,0,0|2,0,0]=3 2056 B11R1.17 FCCOc1cnccc1Br Amb27267251 [0,1,0,0,0,0|3,0,0]=4 2057 B11R1.17 FCCSc1ccccc1Br Amb22227854 [0,1,0,0,0,0|2,0,0]=3 2058 B11R1.17 Fc1ccccc1C#CCBr Amb27849801 [0,1,0,0,0,0|1,0,2]=4 2059 B11R1.17 Fc1ccccc1C#CCCl Amb18185585 [0,1,0,0,0,0|1,0,2]=4 2060 B11R1.17 Fc1ccccc1C#CCI Amb25998813 [0,1,0,0,0,0|1,0,2]=4 2061 B11R1.17 Fc1ccccc1CCCBr Amb17104555 [0,1,0,0,0,0|1,0,0]=2 2062 B11R1.17 Fc1ccccc1CCCCl Amb17104528 [0,1,0,0,0,0|1,0,0]=2 2063 B11R1.17 Fc1ccccc1CCCS Amb17400332 [0,1,0,0,0,0|0,1,0]=2 2064 B11R1.17 Fc1ccccc1CN=C=S Amb2688052 [0,1,0,0,0,0|1,1,1]=4 2065 B11R1.17 Fc1ccccc1COCCl Amb27654557 [0,1,0,0,0,0|2,0,0]=3 2066 B11R1.17 Fc1ccccc1NCCCl Amb17334964 [0,1,0,0,0,0|2,0,0]=3 2067 B11R1.17 Fc1ccccc1OCCBr Amb1103643 [0,1,0,0,0,0|2,0,0]=3 2068 B11R1.17 Fc1ccccc1OCCCl Amb8828428 [0,1,0,0,0,0|2,0,0]=3 2069 B11R1.17 Fc1ccccc1OCCS Amb6255864 [0,1,0,0,0,0|1,1,0]=3 2070 B11R1.17 Fc1ccccc1SCCCl Amb1154202 [0,1,0,0,0,0|2,0,0]=3 2071 B11R1.17 Fc1ccccc1SCCI Amb28364151 [0,1,0,0,0,0|2,0,0]=3 2072 B11R1.17 Fc1ccccc1\C=C\CCl Amb26495610 [0,1,0,0,0,0|1,0,2]=4 2073 B11R1.17 Fc1cccnc1CCCBr Amb33335708 [0,1,0,0,0,0|2,0,0]=3 2074 B11R1.17 Fc1cccnc1CCCS Amb33327465 [0,1,0,0,0,0|1,1,0]=3 2075 B11R1.17 Fc1cccnc1NCCCl Amb28207697 [0,1,0,0,0,0|3,0,0]=4 2076 B11R1.17 Fc1cnccc1CCCBr Amb24486812 [0,1,0,0,0,0|2,0,0]=3 2077 B11R1.17 Fc1cnccc1CCCS Amb33316480 [0,1,0,0,0,0|1,1,0]=3 2078 B11R1.17 Fc1cnccc1NCCCl Amb35655335 [0,1,0,0,0,0|3,0,0]=4 2079 B11R1.17 Fc1cnccc1SCCCl Amb30020411 [0,1,0,0,0,0|3,0,0]=4 2080 B11R1.17 Fc1ncccc1CCCBr Amb33450427 [0,1,0,0,0,0|2,0,0]=3 2081 B11R1.17 Fc1ncccc1CCCS Amb33376782 [0,1,0,0,0,0|1,1,0]=3 2082 B11R1.17 Fc1ncccc1OCCBr Amb32988377 [0,1,0,0,0,0|3,0,0]=4 2083 B11R1.17 ICC#Cc1ccccc1I Amb24509627 [0,1,0,0,0,0|1,0,2]=4 2084 B11R1.17 N#CCCN1C=CC=CC1=O Amb18542616 [0,1,0,0,0,0|2,0,1]=4 2085 B11R1.17 N#CCCc1ccccc1Br Amb17204424 [0,1,0,0,0,0|1,0,1]=3 2086 B11R1.17 N#CCCc1ccccc1Cl Amb2686406 [0,1,0,0,0,0|1,0,1]=3 2087 B11R1.17 N#CCCc1ccccc1F Amb17204298 [0,1,0,0,0,0|1,0,1]=3 2088 B11R1.17 N#CCCc1ccccc1O Amb17509008 [0,1,0,0,0,0|1,0,1]=3 2089 B11R1.17 N#CCCc1ccccc1S Amb28208431 [0,1,0,0,0,0|1,0,1]=3 2090 B11R1.17 N#CCCc1cccnc1Br Amb33389414 [0,1,0,0,0,0|2,0,1]=4 2091 B11R1.17 N#CCCc1cccnc1Cl Amb33256972 [0,1,0,0,0,0|2,0,1]=4 2092 B11R1.17 N#CCCc1cccnc1F Amb33378324 [0,1,0,0,0,0|2,0,1]=4 2093 B11R1.17 N#CCCc1ccncc1Br Amb33451915 [0,1,0,0,0,0|2,0,1]=4 2094 B11R1.17 N#CCCc1ccncc1Cl Amb26000432 [0,1,0,0,0,0|2,0,1]=4 2095 B11R1.17 N#CCCc1ccncc1F Amb33317722 [0,1,0,0,0,0|2,0,1]=4 2096 B11R1.17 N#CCCc1ncccc1Br Amb26940680 [0,1,0,0,0,0|2,0,1]=4 2097 B11R1.17 N#CCCc1ncccc1F Amb33420863 [0,1,0,0,0,0|2,0,1]=4 2098 B11R1.17 N#CCNc1ccccc1Br Amb6712133 [0,1,0,0,0,0|2,0,1]=4 2099 B11R1.17 N#CCNc1ccccc1Cl Amb6712355 [0,1,0,0,0,0|2,0,1]=4 2100 B11R1.17 N#CCNc1ccccc1F Amb6712545 [0,1,0,0,0,0|2,0,1]=4 2101 B11R1.17 N#CCNc1ccccc1N Amb2609638 [0,1,0,0,0,0|2,0,1]=4 2102 B11R1.17 N#CCNc1ccccc1O Amb28119295 [0,1,0,0,0,0|2,0,1]=4 2103 B11R1.17 N#CCOc1ccccc1Br Amb2720452 [0,1,0,0,0,0|2,0,1]=4 2104 B11R1.17 N#CCOc1ccccc1Cl Amb2686311 [0,1,0,0,0,0|2,0,1]=4 2105 B11R1.17 N#CCOc1ccccc1F Amb33532602 [0,1,0,0,0,0|2,0,1]=4 2106 B11R1.17 N#CCOc1ccccc1N Amb6251107 [0,1,0,0,0,0|2,0,1]=4 2107 B11R1.17 N#CCSc1ccccc1Br Amb8994901 [0,1,0,0,0,0|2,0,1]=4 2108 B11R1.17 N#CCSc1ccccc1Cl Amb6677759 [0,1,0,0,0,0|2,0,1]=4 2109 B11R1.17 N#CCSc1ccccc1F Amb6677732 [0,1,0,0,0,0|2,0,1]=4 2110 B11R1.17 N#CCSc1ccccc1O Amb18177810 [0,1,0,0,0,0|2,0,1]=4 2111 B11R1.17 N#CNCc1ccccc1Cl Amb16186973 [0,1,0,0,0,0|2,0,1]=4 2112 B11R1.17 N#CNCc1ccccc1F Amb16186971 [0,1,0,0,0,0|2,0,1]=4 2113 B11R1.17 N#CNCc1ccccc1O Amb27486716 [0,1,0,0,0,0|2,0,1]=4 2114 B11R1.17 N#CSCc1ccccc1Cl Amb19889456 [0,1,0,0,0,0|2,0,1]=4 2115 B11R1.17 N#CSCc1ccccc1F Amb10789221 [0,1,0,0,0,0|2,0,1]=4 2116 B11R1.17 N#CSCc1ccccc1O Amb28126599 [0,1,0,0,0,0|2,0,1]=4 2117 B11R1.17 NCC#Cc1ccccc1Br Amb25727777 [0,1,0,0,0,0|1,0,2]=4 2118 B11R1.17 NCC#Cc1ccccc1Cl Amb18281655 [0,1,0,0,0,0|1,0,2]=4 2119 B11R1.17 NCC#Cc1ccccc1F Amb18962138 [0,1,0,0,0,0|1,0,2]=4 2120 B11R1.17 NCC#Cc1ccccc1I Amb24454628 [0,1,0,0,0,0|1,0,2]=4 2121 B11R1.17 NCC#Cc1ccccc1N Amb26047782 [0,1,0,0,0,0|1,0,2]=4 2122 B11R1.17 NCCCN1C=CC=CC1=O Amb18535490 [0,1,0,0,0,0|2,0,0]=3 2123 B11R1.17 NCCCN1C=CC=CC1=O Amb19514396 [0,1,0,0,0,0|2,0,0]=3 2124 B11R1.17 NCCCN1C=CC=NC1=O Amb18540352 [0,1,0,0,0,0|3,0,0]=4 2125 B11R1.17 NCCCN1C=CC=NC1=O Amb28896034 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.17 NCCCN1C=NC=CC1=O Amb27622527 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.17 NCCCN1N=CC=CC1=O Amb18998096 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.17 NCCCc1ccccc1Br Amb33533965 [0,1,0,0,0,0|1,0,0]=2 2129 B11R1.17 NCCCc1ccccc1Br Amb9304915 [0,1,0,0,0,0|1,0,0]=2 2130 B11R1.17 NCCCc1ccccc1Cl Amb1090913 [0,1,0,0,0,0|1,0,0]=2 2131 B11R1.17 NCCCc1ccccc1Cl Amb19373405 [0,1,0,0,0,0|1,0,0]=2 2132 B11R1.17 NCCCc1ccccc1F Amb13949158 [0,1,0,0,0,0|1,0,0]=2 2133 B11R1.17 NCCCc1ccccc1F Amb5735478 [0,1,0,0,0,0|1,0,0]=2 2134 B11R1.17 NCCCc1ccccc1I Amb27814275 [0,1,0,0,0,0|1,0,0]=2 2135 B11R1.17 NCCCc1ccccc1N Amb17477695 [0,1,0,0,0,0|1,0,0]=2 2136 B11R1.17 NCCCc1ccccc1O Amb2695303 [0,1,0,0,0,0|1,0,0]=2 2137 B11R1.17 NCCCc1cccnc1Br Amb26330157 [0,1,0,0,0,0|2,0,0]=3 2138 B11R1.17 NCCCc1cccnc1Cl Amb26959473 [0,1,0,0,0,0|2,0,0]=3 2139 B11R1.17 NCCCc1cccnc1F Amb27595673 [0,1,0,0,0,0|2,0,0]=3 2140 B11R1.17 NCCCc1cccnc1N Amb28040866 [0,1,0,0,0,0|2,0,0]=3 2141 B11R1.17 NCCCc1cccnc1N Amb33249805 [0,1,0,0,0,0|2,0,0]=3 2142 B11R1.17 NCCCc1ccncc1Br Amb27644751 [0,1,0,0,0,0|2,0,0]=3 2143 B11R1.17 NCCCc1ccncc1Cl Amb23596508 [0,1,0,0,0,0|2,0,0]=3 2144 B11R1.17 NCCCc1ccncc1F Amb25111554 [0,1,0,0,0,0|2,0,0]=3 2145 B11R1.17 NCCCc1cnccc1F Amb27475861 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.17 NCCCc1cnccc1N Amb27850543 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.17 NCCCc1ncccc1Br Amb25771023 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.17 NCCCc1ncccc1F Amb25032548 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.17 NCCCc1ncccc1N Amb27825891 [0,1,0,0,0,0|2,0,0]=3 2150 B11R1.17 NCCCc1ncccc1O Amb25111600 [0,1,0,0,0,0|2,0,0]=3 2151 B11R1.17 NCCNc1ccccc1Br Amb17091073 [0,1,0,0,0,0|2,0,0]=3 2152 B11R1.17 NCCNc1ccccc1Cl Amb17057749 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.17 NCCNc1ccccc1F Amb17057747 [0,1,0,0,0,0|2,0,0]=3 2154 B11R1.17 NCCNc1ccccc1N Amb2794704 [0,1,0,0,0,0|2,0,0]=3 2155 B11R1.17 NCCNc1ccccc1O Amb18251377 [0,1,0,0,0,0|2,0,0]=3 2156 B11R1.17 NCCNc1cccnc1F Amb35725084 [0,1,0,0,0,0|3,0,0]=4 2157 B11R1.17 NCCNc1ncccc1I Amb27209343 [0,1,0,0,0,0|3,0,0]=4 2158 B11R1.17 NCCNc1ncccc1N Amb18991500 [0,1,0,0,0,0|3,0,0]=4 2159 B11R1.17 NCCOC1=CNC=CC1=O Amb27638354 [0,1,0,0,0,0|3,0,0]=4 2160 B11R1.17 NCCOc1ccccc1Br Amb10609932 [0,1,0,0,0,0|2,0,0]=3 2161 B11R1.17 NCCOc1ccccc1Br Amb5781215 [0,1,0,0,0,0|2,0,0]=3 2162 B11R1.17 NCCOc1ccccc1Cl Amb836407 [0,1,0,0,0,0|2,0,0]=3 2163 B11R1.17 NCCOc1ccccc1F Amb1105167 [0,1,0,0,0,0|2,0,0]=3 2164 B11R1.17 NCCOc1ccccc1F Amb6859379 [0,1,0,0,0,0|2,0,0]=3 2165 B11R1.17 NCCOc1ccccc1N Amb18251366 [0,1,0,0,0,0|2,0,0]=3 2166 B11R1.17 NCCOc1cccnc1Br Amb33388121 [0,1,0,0,0,0|3,0,0]=4 2167 B11R1.17 NCCOc1cccnc1Cl Amb33257696 [0,1,0,0,0,0|3,0,0]=4 2168 B11R1.17 NCCOc1cccnc1F Amb33376794 [0,1,0,0,0,0|3,0,0]=4 2169 B11R1.17 NCCOc1ccncc1Br Amb24353235 [0,1,0,0,0,0|3,0,0]=4 2170 B11R1.17 NCCOc1ccncc1Cl Amb27759016 [0,1,0,0,0,0|3,0,0]=4 2171 B11R1.17 NCCOc1ccncc1F Amb33317419 [0,1,0,0,0,0|3,0,0]=4 2172 B11R1.17 NCCOc1ncccc1Br Amb18988886 [0,1,0,0,0,0|3,0,0]=4 2173 B11R1.17 NCCOc1ncccc1Cl Amb18988869 [0,1,0,0,0,0|3,0,0]=4 2174 B11R1.17 NCCOc1ncccc1Cl Amb20631069 [0,1,0,0,0,0|3,0,0]=4 2175 B11R1.17 NCCOc1ncccc1F Amb18996066 [0,1,0,0,0,0|3,0,0]=4 2176 B11R1.17 NCCOc1ncccc1F Amb32658022 [0,1,0,0,0,0|3,0,0]=4 2177 B11R1.17 NCCSc1cccc[n+]1[O-] Amb28318057 [0,1,0,0,0,0|3,0,0]=4 2178 B11R1.17 NCCSc1ccccc1F Amb6265436 [0,1,0,0,0,0|2,0,0]=3 2179 B11R1.17 NCCSc1ccccc1N Amb6761760 [0,1,0,0,0,0|2,0,0]=3 2180 B11R1.17 NCCSc1ccccc1O Amb18984794 [0,1,0,0,0,0|2,0,0]=3 2181 B11R1.17 NCCSc1ncccc1N Amb18291324 [0,1,0,0,0,0|3,0,0]=4 2182 B11R1.17 NC\C=C\c1ccccc1Br Amb18569373 [0,1,0,0,0,0|1,0,2]=4 2183 B11R1.17 NC\C=C\c1ccccc1Cl Amb18065473 [0,1,0,0,0,0|1,0,2]=4 2184 B11R1.17 NC\C=C\c1ccccc1F Amb18065347 [0,1,0,0,0,0|1,0,2]=4 2185 B11R1.17 NC\C=C\c1ccccc1O Amb27442155 [0,1,0,0,0,0|1,0,2]=4 2186 B11R1.17 NNCCc1ccccc1Cl Amb6243429 [0,1,0,0,0,0|2,0,0]=3 2187 B11R1.17 NNCCc1ccccc1F Amb20668135 [0,1,0,0,0,0|2,0,0]=3 2188 B11R1.17 NNCCc1ccccc1F Amb6480211 [0,1,0,0,0,0|2,0,0]=3 2189 B11R1.17 NNCCc1cnccc1N Amb27474016 [0,1,0,0,0,0|3,0,0]=4 2190 B11R1.17 NOCCc1ccccc1Br Amb18657908 [0,1,0,0,0,0|2,0,0]=3 2191 B11R1.17 NOCCc1ccccc1Cl Amb18647570 [0,1,0,0,0,0|2,0,0]=3 2192 B11R1.17 NOCCc1ccccc1F Amb22896629 [0,1,0,0,0,0|2,0,0]=3 2193 B11R1.17 NOCCc1ccccc1O Amb28063031 [0,1,0,0,0,0|2,0,0]=3 2194 B11R1.17 NOCCc1cccnc1Br Amb33387766 [0,1,0,0,0,0|3,0,0]=4 2195 B11R1.17 NOCCc1cccnc1Cl Amb33257319 [0,1,0,0,0,0|3,0,0]=4 2196 B11R1.17 NOCCc1cccnc1F Amb33377681 [0,1,0,0,0,0|3,0,0]=4 2197 B11R1.17 NOCCc1ccncc1Br Amb33388633 [0,1,0,0,0,0|3,0,0]=4 2198 B11R1.17 NOCCc1ccncc1Cl Amb33413759 [0,1,0,0,0,0|3,0,0]=4 2199 B11R1.17 NOCCc1ccncc1F Amb33317195 [0,1,0,0,0,0|3,0,0]=4 2200 B11R1.17 NOCCc1ncccc1Br Amb33336065 [0,1,0,0,0,0|3,0,0]=4 2201 B11R1.17 NOCCc1ncccc1F Amb33224647 [0,1,0,0,0,0|3,0,0]=4 2202 B11R1.17 N\N=C\Cc1ccccc1F Amb28248964 [0,1,0,0,0,0|2,0,1]=4 2203 B11R1.17 Nc1ccccc1C#CCBr Amb26511539 [0,1,0,0,0,0|1,0,2]=4 2204 B11R1.17 Nc1ccccc1C#CCCl Amb24462871 [0,1,0,0,0,0|1,0,2]=4 2205 B11R1.17 Nc1ccccc1C#CCF Amb24509437 [0,1,0,0,0,0|1,0,2]=4 2206 B11R1.17 Nc1ccccc1C#CCI Amb27859383 [0,1,0,0,0,0|1,0,2]=4 2207 B11R1.17 Nc1ccccc1C#CCO Amb22228947 [0,1,0,0,0,0|0,0,2]=3 2208 B11R1.17 Nc1ccccc1CCCCl Amb17477710 [0,1,0,0,0,0|1,0,0]=2 2209 B11R1.17 Nc1ccccc1CCCF Amb28059275 [0,1,0,0,0,0|1,0,0]=2 2210 B11R1.17 Nc1ccccc1CCCO Amb17477702 [0,1,0,0,0,0|0,0,0]=1 2211 B11R1.17 Nc1ccccc1COCS Amb27659006 [0,1,0,0,0,0|1,1,0]=3 2212 B11R1.17 Nc1ccccc1NCCO Amb404596 [0,1,0,0,0,0|1,0,0]=2 2213 B11R1.17 Nc1ccccc1NCCO Amb6891865 [0,1,0,0,0,0|1,0,0]=2 2214 B11R1.17 Nc1ccccc1NCCS Amb27794574 [0,1,0,0,0,0|1,1,0]=3 2215 B11R1.17 Nc1ccccc1OCCBr Amb34157677 [0,1,0,0,0,0|2,0,0]=3 2216 B11R1.17 Nc1ccccc1OCCBr Amb842426 [0,1,0,0,0,0|2,0,0]=3 2217 B11R1.17 Nc1ccccc1OCCCl Amb27474853 [0,1,0,0,0,0|2,0,0]=3 2218 B11R1.17 Nc1ccccc1OCCF Amb23579999 [0,1,0,0,0,0|2,0,0]=3 2219 B11R1.17 Nc1ccccc1OCCO Amb33734854 [0,1,0,0,0,0|1,0,0]=2 2220 B11R1.17 Nc1ccccc1OCCO Amb6702378 [0,1,0,0,0,0|1,0,0]=2 2221 B11R1.17 Nc1ccccc1SCCCl Amb18129706 [0,1,0,0,0,0|2,0,0]=3 2222 B11R1.17 Nc1ccccc1SCCS Amb28137778 [0,1,0,0,0,0|1,1,0]=3 2223 B11R1.17 Nc1ccccc1\C=C\CO Amb34916231 [0,1,0,0,0,0|0,0,2]=3 2224 B11R1.17 Nc1cccnc1NCCF Amb28061770 [0,1,0,0,0,0|3,0,0]=4 2225 B11R1.17 Nc1cccnc1NCCO Amb7768142 [0,1,0,0,0,0|2,0,0]=3 2226 B11R1.17 Nc1cccnc1OCCO Amb6680945 [0,1,0,0,0,0|2,0,0]=3 2227 B11R1.17 Nc1cccnc1SCCF Amb28041886 [0,1,0,0,0,0|3,0,0]=4 2228 B11R1.17 Nc1ccncc1CCCCl Amb27989139 [0,1,0,0,0,0|2,0,0]=3 2229 B11R1.17 Nc1ccncc1CCCO Amb24355779 [0,1,0,0,0,0|1,0,0]=2 2230 B11R1.17 Nc1ccncc1NCCF Amb27478095 [0,1,0,0,0,0|3,0,0]=4 2231 B11R1.17 Nc1ccncc1NCCO Amb27857352 [0,1,0,0,0,0|2,0,0]=3 2232 B11R1.17 Nc1ccncc1OCCO Amb27840356 [0,1,0,0,0,0|2,0,0]=3 2233 B11R1.17 Nc1cnccc1NCCCl Amb27478063 [0,1,0,0,0,0|3,0,0]=4 2234 B11R1.17 Nc1cnccc1NCCO Amb33529127 [0,1,0,0,0,0|2,0,0]=3 2235 B11R1.17 Nc1cnccc1OCCO Amb7765179 [0,1,0,0,0,0|2,0,0]=3 2236 B11R1.17 Nc1cncnc1OCCO Amb26654876 [0,1,0,0,0,0|3,0,0]=4 2237 B11R1.17 Nc1ncccc1CCCO Amb13890002 [0,1,0,0,0,0|1,0,0]=2 2238 B11R1.17 Nc1ncccc1OCCF Amb26968457 [0,1,0,0,0,0|3,0,0]=4 2239 B11R1.17 Nc1ncccc1OCCO Amb7787230 [0,1,0,0,0,0|2,0,0]=3 2240 B11R1.17 Nc1nccnc1OCCO Amb27239352 [0,1,0,0,0,0|3,0,0]=4 2241 B11R1.17 Nc1nccnc1SCCO Amb27229777 [0,1,0,0,0,0|3,0,0]=4 2242 B11R1.17 Nc1ncncc1NCCO Amb27966226 [0,1,0,0,0,0|3,0,0]=4 2243 B11R1.17 O=C1C=CC=CN1CCCF Amb27882103 [0,1,0,0,0,0|2,0,0]=3 2244 B11R1.17 O=C1C=CC=CN1CCCO Amb18041289 [0,1,0,0,0,0|1,0,0]=2 2245 B11R1.17 O=C1C=CN=CN1CCCCl Amb27836928 [0,1,0,0,0,0|3,0,0]=4 2246 B11R1.17 O=C1C=CN=CN1CCCO Amb33530551 [0,1,0,0,0,0|2,0,0]=3 2247 B11R1.17 O=C1C=NC=CN1CCCCl Amb28454212 [0,1,0,0,0,0|3,0,0]=4 2248 B11R1.17 O=C1C=NC=CN1CCCO Amb28129138 [0,1,0,0,0,0|2,0,0]=3 2249 B11R1.17 O=C1N=CC=CN1CCCO Amb18177313 [0,1,0,0,0,0|2,0,0]=3 2250 B11R1.17 O=C1N=CC=CN1CCCS Amb28454059 [0,1,0,0,0,0|2,1,0]=4 2251 B11R1.17 O=C=NCc1ccccc1Br Amb25251434 [0,1,0,0,0,0|1,0,2]=4 2252 B11R1.17 O=C=NCc1ccccc1Cl Amb2720550 [0,1,0,0,0,0|1,0,2]=4 2253 B11R1.17 O=C=NCc1ccccc1F Amb3939408 [0,1,0,0,0,0|1,0,2]=4 2254 B11R1.17 O=CCCc1ccccc1Br Amb22498060 [0,1,0,0,0,0|0,0,2]=3 2255 B11R1.17 O=CCCc1ccccc1Cl Amb17081678 [0,1,0,0,0,0|0,0,2]=3 2256 B11R1.17 O=CCCc1ccccc1F Amb10602147 [0,1,0,0,0,0|0,0,2]=3 2257 B11R1.17 O=CCCc1ccccc1O Amb22228954 [0,1,0,0,0,0|0,0,2]=3 2258 B11R1.17 O=CCCc1cccnc1Br Amb33388081 [0,1,0,0,0,0|1,0,2]=4 2259 B11R1.17 O=CCCc1cccnc1Cl Amb33052730 [0,1,0,0,0,0|1,0,2]=4 2260 B11R1.17 O=CCCc1cccnc1F Amb33377143 [0,1,0,0,0,0|1,0,2]=4 2261 B11R1.17 O=CCCc1ccncc1Br Amb33243315 [0,1,0,0,0,0|1,0,2]=4 2262 B11R1.17 O=CCCc1ccncc1Cl Amb27617324 [0,1,0,0,0,0|1,0,2]=4 2263 B11R1.17 O=CCCc1ccncc1F Amb25677089 [0,1,0,0,0,0|1,0,2]=4 2264 B11R1.17 O=CCCc1ncccc1Br Amb27153362 [0,1,0,0,0,0|1,0,2]=4 2265 B11R1.17 O=CCCc1ncccc1F Amb27878559 [0,1,0,0,0,0|1,0,2]=4 2266 B11R1.17 O=CCOc1ccccc1Br Amb17099950 [0,1,0,0,0,0|1,0,2]=4 2267 B11R1.17 O=CCOc1ccccc1Cl Amb5731835 [0,1,0,0,0,0|1,0,2]=4 2268 B11R1.17 O=CCOc1ccccc1F Amb18182892 [0,1,0,0,0,0|1,0,2]=4 2269 B11R1.17 O=CCOc1ccccc1I Amb27871520 [0,1,0,0,0,0|1,0,2]=4 2270 B11R1.17 O=CCOc1ccccc1O Amb27176428 [0,1,0,0,0,0|1,0,2]=4 2271 B11R1.17 O=CCSc1ccccc1Br Amb26008308 [0,1,0,0,0,0|1,0,2]=4 2272 B11R1.17 O=CCSc1ccccc1Cl Amb19075897 [0,1,0,0,0,0|1,0,2]=4 2273 B11R1.17 O=CCSc1ccccc1F Amb18185632 [0,1,0,0,0,0|1,0,2]=4 2274 B11R1.17 O=CNCc1ccccc1Cl Amb19871473 [0,1,0,0,0,0|1,0,2]=4 2275 B11R1.17 OCC#Cc1ccccc1Br Amb836727 [0,1,0,0,0,0|0,0,2]=3 2276 B11R1.17 OCC#Cc1ccccc1Cl Amb836649 [0,1,0,0,0,0|0,0,2]=3 2277 B11R1.17 OCC#Cc1ccccc1F Amb836758 [0,1,0,0,0,0|0,0,2]=3 2278 B11R1.17 OCC#Cc1ccccc1I Amb24731810 [0,1,0,0,0,0|0,0,2]=3 2279 B11R1.17 OCC#Cc1ccccc1O Amb23412359 [0,1,0,0,0,0|0,0,2]=3 2280 B11R1.17 OCC#Cc1ccncc1F Amb27235696 [0,1,0,0,0,0|1,0,2]=4 2281 B11R1.17 OCC#Cc1cnccc1Cl Amb13889957 [0,1,0,0,0,0|1,0,2]=4 2282 B11R1.17 OCC#Cc1ncccc1F Amb27756123 [0,1,0,0,0,0|1,0,2]=4 2283 B11R1.17 OCCCc1ccccc1Br Amb15692692 [0,1,0,0,0,0|0,0,0]=1 2284 B11R1.17 OCCCc1ccccc1Cl Amb17089499 [0,1,0,0,0,0|0,0,0]=1 2285 B11R1.17 OCCCc1ccccc1F Amb17089496 [0,1,0,0,0,0|0,0,0]=1 2286 B11R1.17 OCCCc1ccccc1I Amb27246348 [0,1,0,0,0,0|0,0,0]=1 2287 B11R1.17 OCCCc1ccccc1O Amb17477714 [0,1,0,0,0,0|0,0,0]=1 2288 B11R1.17 OCCCc1cccnc1Br Amb33388120 [0,1,0,0,0,0|1,0,0]=2 2289 B11R1.17 OCCCc1cccnc1Cl Amb32668114 [0,1,0,0,0,0|1,0,0]=2 2290 B11R1.17 OCCCc1cccnc1F Amb33377128 [0,1,0,0,0,0|1,0,0]=2 2291 B11R1.17 OCCCc1ccncc1Br Amb26577096 [0,1,0,0,0,0|1,0,0]=2 2292 B11R1.17 OCCCc1ccncc1Cl Amb23596495 [0,1,0,0,0,0|1,0,0]=2 2293 B11R1.17 OCCCc1ccncc1F Amb25825625 [0,1,0,0,0,0|1,0,0]=2 2294 B11R1.17 OCCCc1ccncc1O Amb27803932 [0,1,0,0,0,0|1,0,0]=2 2295 B11R1.17 OCCCc1cnccc1O Amb13889999 [0,1,0,0,0,0|1,0,0]=2 2296 B11R1.17 OCCCc1ncccc1Br Amb25273165 [0,1,0,0,0,0|1,0,0]=2 2297 B11R1.17 OCCCc1ncccc1Cl Amb32944661 [0,1,0,0,0,0|1,0,0]=2 2298 B11R1.17 OCCCc1ncccc1F Amb33418423 [0,1,0,0,0,0|1,0,0]=2 2299 B11R1.17 OCCCc1ncccc1O Amb18125538 [0,1,0,0,0,0|1,0,0]=2 2300 B11R1.17 OCCNc1ccccc1Br Amb6712178 [0,1,0,0,0,0|1,0,0]=2 2301 B11R1.17 OCCNc1ccccc1Cl Amb6712397 [0,1,0,0,0,0|1,0,0]=2 2302 B11R1.17 OCCNc1ccccc1F Amb6712587 [0,1,0,0,0,0|1,0,0]=2 2303 B11R1.17 OCCNc1ccncc1Br Amb27766939 [0,1,0,0,0,0|2,0,0]=3 2304 B11R1.17 OCCNc1ccncc1F Amb35737123 [0,1,0,0,0,0|2,0,0]=3 2305 B11R1.17 OCCNc1ncccc1Br Amb18292072 [0,1,0,0,0,0|2,0,0]=3 2306 B11R1.17 OCCNc1nccnc1Cl Amb2725329 [0,1,0,0,0,0|3,0,0]=4 2307 B11R1.17 OCCNc1nccnc1F Amb30018782 [0,1,0,0,0,0|3,0,0]=4 2308 B11R1.17 OCCOc1ccccc1Br Amb6702414 [0,1,0,0,0,0|1,0,0]=2 2309 B11R1.17 OCCOc1ccccc1Cl Amb2209355 [0,1,0,0,0,0|1,0,0]=2 2310 B11R1.17 OCCOc1ccccc1F Amb9370651 [0,1,0,0,0,0|1,0,0]=2 2311 B11R1.17 OCCOc1ccccc1I Amb25761613 [0,1,0,0,0,0|1,0,0]=2 2312 B11R1.17 OCCOc1ccccc1O Amb1144452 [0,1,0,0,0,0|1,0,0]=2 2313 B11R1.17 OCCOc1cccnc1Cl Amb24486639 [0,1,0,0,0,0|2,0,0]=3 2314 B11R1.17 OCCOc1cccnc1O Amb25106031 [0,1,0,0,0,0|2,0,0]=3 2315 B11R1.17 OCCOc1ncccc1Br Amb23598436 [0,1,0,0,0,0|2,0,0]=3 2316 B11R1.17 OCCOc1ncccc1Cl Amb23598430 [0,1,0,0,0,0|2,0,0]=3 2317 B11R1.17 OCCOc1ncccc1O Amb13889705 [0,1,0,0,0,0|2,0,0]=3 2318 B11R1.17 OCCOc1nccnc1Cl Amb18183884 [0,1,0,0,0,0|3,0,0]=4 2319 B11R1.17 OCCOc1nccnc1F Amb35729093 [0,1,0,0,0,0|3,0,0]=4 2320 B11R1.17 OCCSc1ccccc1Br Amb2685464 [0,1,0,0,0,0|1,0,0]=2 2321 B11R1.17 OCCSc1ccccc1Cl Amb2686420 [0,1,0,0,0,0|1,0,0]=2 2322 B11R1.17 OCCSc1ccccc1F Amb2688392 [0,1,0,0,0,0|1,0,0]=2 2323 B11R1.17 OCCSc1ccccc1O Amb18177935 [0,1,0,0,0,0|1,0,0]=2 2324 B11R1.17 OCCSc1ccncc1F Amb30020309 [0,1,0,0,0,0|2,0,0]=3 2325 B11R1.17 OCCSc1ncccc1Cl Amb9238671 [0,1,0,0,0,0|2,0,0]=3 2326 B11R1.17 OCCSc1nccnc1F Amb35729432 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.17 OC\C=C\c1ccccc1Br Amb25149289 [0,1,0,0,0,0|0,0,2]=3 2328 B11R1.17 OC\C=C\c1ccccc1Cl Amb8392444 [0,1,0,0,0,0|0,0,2]=3 2329 B11R1.17 OC\C=C\c1ccccc1F Amb23442840 [0,1,0,0,0,0|0,0,2]=3 2330 B11R1.17 OC\C=C\c1ccccc1O Amb33450068 [0,1,0,0,0,0|0,0,2]=3 2331 B11R1.17 OC\C=C\c1cccnc1Br Amb33387813 [0,1,0,0,0,0|1,0,2]=4 2332 B11R1.17 OC\C=C\c1cccnc1Cl Amb33262127 [0,1,0,0,0,0|1,0,2]=4 2333 B11R1.17 OC\C=C\c1cccnc1F Amb33377194 [0,1,0,0,0,0|1,0,2]=4 2334 B11R1.17 OC\C=C\c1ccncc1Br Amb33389509 [0,1,0,0,0,0|1,0,2]=4 2335 B11R1.17 OC\C=C\c1ccncc1Cl Amb33413772 [0,1,0,0,0,0|1,0,2]=4 2336 B11R1.17 OC\C=C\c1ccncc1F Amb33317171 [0,1,0,0,0,0|1,0,2]=4 2337 B11R1.17 OC\C=C\c1ncccc1F Amb33418873 [0,1,0,0,0,0|1,0,2]=4 2338 B11R1.17 OC\N=C\c1ccncc1O Amb27968146 [0,1,0,0,0,0|2,0,1]=4 2339 B11R1.17 Oc1ccccc1C#CCBr Amb26471032 [0,1,0,0,0,0|1,0,2]=4 2340 B11R1.17 Oc1ccccc1C#CCCl Amb27954200 [0,1,0,0,0,0|1,0,2]=4 2341 B11R1.17 Oc1ccccc1C#CCF Amb27494769 [0,1,0,0,0,0|1,0,2]=4 2342 B11R1.17 Oc1ccccc1C#CCI Amb27410610 [0,1,0,0,0,0|1,0,2]=4 2343 B11R1.17 Oc1ccccc1CCCBr Amb27667946 [0,1,0,0,0,0|1,0,0]=2 2344 B11R1.17 Oc1ccccc1CCCCl Amb17477721 [0,1,0,0,0,0|1,0,0]=2 2345 B11R1.17 Oc1ccccc1CCCS Amb26040563 [0,1,0,0,0,0|0,1,0]=2 2346 B11R1.17 Oc1ccccc1OCCCl Amb27595619 [0,1,0,0,0,0|2,0,0]=3 2347 B11R1.17 Oc1ccccc1OCCF Amb27601772 [0,1,0,0,0,0|2,0,0]=3 2348 B11R1.17 Oc1ccccc1\C=C/CBr Amb27759396 [0,1,0,0,0,0|1,0,2]=4 2349 B11R1.17 Oc1ccccc1\C=C\CCl Amb27848186 [0,1,0,0,0,0|1,0,2]=4 2350 B11R1.17 S=C=NCc1ccccc1Br Amb24402120 [0,1,0,0,0,0|1,1,1]=4 2351 B11R1.17 S=C=NCc1ccccc1Cl Amb2685778 [0,1,0,0,0,0|1,1,1]=4 2352 B11R1.17 S=C=NCc1ccccc1I Amb27402469 [0,1,0,0,0,0|1,1,1]=4 2353 B11R1.17 SCCCc1ccccc1Br Amb18070447 [0,1,0,0,0,0|0,1,0]=2 2354 B11R1.17 SCCCc1ccccc1Cl Amb17401095 [0,1,0,0,0,0|0,1,0]=2 2355 B11R1.17 SCCCc1cccnc1Br Amb33388138 [0,1,0,0,0,0|1,1,0]=3 2356 B11R1.17 SCCCc1cccnc1Cl Amb33263115 [0,1,0,0,0,0|1,1,0]=3 2357 B11R1.17 SCCCc1ccncc1Br Amb33388696 [0,1,0,0,0,0|1,1,0]=3 2358 B11R1.17 SCCCc1ccncc1Cl Amb33413849 [0,1,0,0,0,0|1,1,0]=3 2359 B11R1.17 SCCCc1ncccc1Br Amb33336399 [0,1,0,0,0,0|1,1,0]=3 2360 B11R1.17 SCCOc1ccccc1Br Amb17250554 [0,1,0,0,0,0|1,1,0]=3 2361 B11R1.17 SCCOc1ccccc1Cl Amb6255607 [0,1,0,0,0,0|1,1,0]=3 2362 B11R1.17 SCCOc1ccccc1I Amb27761382 [0,1,0,0,0,0|1,1,0]=3 2363 B11R1.17 SCCSc1ccccc1Cl Amb27588702 [0,1,0,0,0,0|1,1,0]=3 2364 B11R1.17 [C-]#[N+]CCc1ccccc1Br Amb33387614 [0,1,0,0,0,0|2,0,0]=3 2365 B11R1.17 [C-]#[N+]CCc1ccccc1C Amb2689592 [0,1,0,0,0,0|2,0,0]=3 2366 B11R1.17 [C-]#[N+]CCc1ccccc1Cl Amb2686344 [0,1,0,0,0,0|2,0,0]=3 2367 B11R1.17 [C-]#[N+]CCc1ccccc1F Amb2688285 [0,1,0,0,0,0|2,0,0]=3 2368 B11R1.17 [C-]#[N+]CCc1cccnc1Br Amb33387838 [0,1,0,0,0,0|3,0,0]=4 2369 B11R1.17 [C-]#[N+]CCc1cccnc1C Amb32879578 [0,1,0,0,0,0|3,0,0]=4 2370 B11R1.17 [C-]#[N+]CCc1cccnc1Cl Amb33257011 [0,1,0,0,0,0|3,0,0]=4 2371 B11R1.17 [C-]#[N+]CCc1cccnc1F Amb33377938 [0,1,0,0,0,0|3,0,0]=4 2372 B11R1.17 [C-]#[N+]CCc1ccncc1Br Amb33388195 [0,1,0,0,0,0|3,0,0]=4 2373 B11R1.17 [C-]#[N+]CCc1ccncc1C Amb33414474 [0,1,0,0,0,0|3,0,0]=4 2374 B11R1.17 [C-]#[N+]CCc1ccncc1Cl Amb33413756 [0,1,0,0,0,0|3,0,0]=4 2375 B11R1.17 [C-]#[N+]CCc1ccncc1F Amb33317678 [0,1,0,0,0,0|3,0,0]=4 2376 B11R1.17 [C-]#[N+]CCc1cnccc1C Amb33377025 [0,1,0,0,0,0|3,0,0]=4 2377 B11R1.17 [C-]#[N+]CCc1ncccc1Br Amb33336055 [0,1,0,0,0,0|3,0,0]=4 2378 B11R1.17 [C-]#[N+]CCc1ncccc1C Amb33428995 [0,1,0,0,0,0|3,0,0]=4 2379 B11R1.17 [C-]#[N+]CCc1ncccc1F Amb33419155 [0,1,0,0,0,0|3,0,0]=4 2380 B11R1.17 [N-]=[N+]=NCc1ccccc1Br Amb8938157 [0,1,0,0,0,0|3,0,0]=4 2381 B11R1.17 [N-]=[N+]=NCc1ccccc1Cl Amb8938161 [0,1,0,0,0,0|3,0,0]=4 2382 B11R1.17 [N-]=[N+]=NCc1ccccc1F Amb8938165 [0,1,0,0,0,0|3,0,0]=4 2383 B11R1.17 [N-]=[N+]=NCc1ccccc1I Amb27194978 [0,1,0,0,0,0|3,0,0]=4 2384 B11R1.17 [N-]=[N+]=NCc1ccccc1N Amb27849788 [0,1,0,0,0,0|3,0,0]=4 2385 B11R1.17 [N-]=[N+]=NCc1ccccc1O Amb26034413 [0,1,0,0,0,0|3,0,0]=4 2386 B11R1.17 [O-][n+]1ccccc1CCCO Amb28384875 [0,1,0,0,0,0|1,0,0]=2 2387 B11R1.24 BrCC#Cc1cccc(Br)c1 Amb27960951 [0,1,0,0,0,0|1,0,2]=4 2388 B11R1.24 BrCC#Cc1cccc(I)c1 Amb25308173 [0,1,0,0,0,0|1,0,2]=4 2389 B11R1.24 BrCCCc1cccc(Br)c1 Amb17104576 [0,1,0,0,0,0|1,0,0]=2 2390 B11R1.24 BrCCCc1cccc(Br)n1 Amb33433525 [0,1,0,0,0,0|2,0,0]=3 2391 B11R1.24 BrCCCc1cncc(Br)c1 Amb28189670 [0,1,0,0,0,0|2,0,0]=3 2392 B11R1.24 BrCCOc1cccc(Br)c1 Amb1150981 [0,1,0,0,0,0|2,0,0]=3 2393 B11R1.24 BrCCOc1cncc(Br)c1 Amb26474247 [0,1,0,0,0,0|3,0,0]=4 2394 B11R1.24 BrCCSc1cccc(Br)c1 Amb27594209 [0,1,0,0,0,0|2,0,0]=3 2395 B11R1.24 BrC\C=C\c1cccc(Br)c1 Amb27401347 [0,1,0,0,0,0|1,0,2]=4 2396 B11R1.24 Brc1cccc(C#CCI)c1 Amb24447534 [0,1,0,0,0,0|1,0,2]=4 2397 B11R1.24 C#CCCc1cc(C)ccn1 Amb33317815 [0,1,0,0,0,0|2,0,1]=4 2398 B11R1.24 C#CCCc1cc(F)ccn1 Amb33325523 [0,1,0,0,0,0|2,0,1]=4 2399 B11R1.24 C#CCCc1cccc(Br)c1 Amb33451616 [0,1,0,0,0,0|1,0,1]=3 2400 B11R1.24 C#CCCc1cccc(Br)n1 Amb33433536 [0,1,0,0,0,0|2,0,1]=4 2401 B11R1.24 C#CCCc1cccc(C)c1 Amb33380572 [0,1,0,0,0,0|1,0,1]=3 2402 B11R1.24 C#CCCc1cccc(C)n1 Amb33199571 [0,1,0,0,0,0|2,0,1]=4 2403 B11R1.24 C#CCCc1cccc(Cl)c1 Amb18116942 [0,1,0,0,0,0|1,0,1]=3 2404 B11R1.24 C#CCCc1cccc(Cl)n1 Amb33222417 [0,1,0,0,0,0|2,0,1]=4 2405 B11R1.24 C#CCCc1cccc(F)c1 Amb18118085 [0,1,0,0,0,0|1,0,1]=3 2406 B11R1.24 C#CCCc1cccc(O)c1 Amb33312065 [0,1,0,0,0,0|1,0,1]=3 2407 B11R1.24 C#CCCc1ccnc(C)c1 Amb32733009 [0,1,0,0,0,0|2,0,1]=4 2408 B11R1.24 C#CCCc1ccnc(N)c1 Amb27413525 [0,1,0,0,0,0|2,0,1]=4 2409 B11R1.24 C#CCCc1cncc(Br)c1 Amb33389416 [0,1,0,0,0,0|2,0,1]=4 2410 B11R1.24 C#CCCc1cncc(C)c1 Amb33317650 [0,1,0,0,0,0|2,0,1]=4 2411 B11R1.24 C#CCCc1cncc(F)c1 Amb33195871 [0,1,0,0,0,0|2,0,1]=4 2412 B11R1.24 C#CCNc1cccc(Br)c1 Amb27838179 [0,1,0,0,0,0|2,0,1]=4 2413 B11R1.24 C#CCNc1cccc(C)c1 Amb27823265 [0,1,0,0,0,0|2,0,1]=4 2414 B11R1.24 C#CCNc1cccc(Cl)c1 Amb18800989 [0,1,0,0,0,0|2,0,1]=4 2415 B11R1.24 C#CCNc1cccc(F)c1 Amb24102181 [0,1,0,0,0,0|2,0,1]=4 2416 B11R1.24 C#CCNc1cccc(F)c1 Amb33330128 [0,1,0,0,0,0|2,0,1]=4 2417 B11R1.24 C#CCOc1cccc(Br)c1 Amb6257577 [0,1,0,0,0,0|2,0,1]=4 2418 B11R1.24 C#CCOc1cccc(C)c1 Amb19373318 [0,1,0,0,0,0|2,0,1]=4 2419 B11R1.24 C#CCOc1cccc(Cl)c1 Amb18183541 [0,1,0,0,0,0|2,0,1]=4 2420 B11R1.24 C#CCOc1cccc(F)c1 Amb18182728 [0,1,0,0,0,0|2,0,1]=4 2421 B11R1.24 C#CCOc1cccc(I)c1 Amb27779244 [0,1,0,0,0,0|2,0,1]=4 2422 B11R1.24 C#CCOc1cccc(N)c1 Amb13783680 [0,1,0,0,0,0|2,0,1]=4 2423 B11R1.24 C#CCOc1cccc(O)c1 Amb33528803 [0,1,0,0,0,0|2,0,1]=4 2424 B11R1.24 C=CCCc1cccc(Br)c1 Amb6298948 [0,1,0,0,0,0|1,0,1]=3 2425 B11R1.24 C=CCCc1cccc(Cl)c1 Amb6298971 [0,1,0,0,0,0|1,0,1]=3 2426 B11R1.24 C=CCCc1cccc(O)c1 Amb25275934 [0,1,0,0,0,0|1,0,1]=3 2427 B11R1.24 C=CCCc1cncc(C)c1 Amb35715633 [0,1,0,0,0,0|2,0,1]=4 2428 B11R1.24 C=CCCc1cncc(F)c1 Amb35711757 [0,1,0,0,0,0|2,0,1]=4 2429 B11R1.24 C=CCNc1cccc(Br)c1 Amb17306222 [0,1,0,0,0,0|2,0,1]=4 2430 B11R1.24 C=CCNc1cccc(C)c1 Amb17306547 [0,1,0,0,0,0|2,0,1]=4 2431 B11R1.24 C=CCNc1cccc(Cl)c1 Amb17307127 [0,1,0,0,0,0|2,0,1]=4 2432 B11R1.24 C=CCNc1cccc(F)c1 Amb17306228 [0,1,0,0,0,0|2,0,1]=4 2433 B11R1.24 C=CCNc1cccc(N)c1 Amb8394241 [0,1,0,0,0,0|2,0,1]=4 2434 B11R1.24 C=CCOc1cccc(Br)c1 Amb6263292 [0,1,0,0,0,0|2,0,1]=4 2435 B11R1.24 C=CCOc1cccc(Cl)c1 Amb27223591 [0,1,0,0,0,0|2,0,1]=4 2436 B11R1.24 C=CCOc1cccc(N)c1 Amb2094493 [0,1,0,0,0,0|2,0,1]=4 2437 B11R1.24 C=CCOc1cccc(N)c1 Amb33527291 [0,1,0,0,0,0|2,0,1]=4 2438 B11R1.24 C=CCOc1cccc(O)c1 Amb8837461 [0,1,0,0,0,0|2,0,1]=4 2439 B11R1.24 C=CCSc1cccc(Br)c1 Amb26071614 [0,1,0,0,0,0|2,0,1]=4 2440 B11R1.24 C=CCSc1cccc(Cl)c1 Amb26924103 [0,1,0,0,0,0|2,0,1]=4 2441 B11R1.24 C=CCSc1cccc(F)c1 Amb26648175 [0,1,0,0,0,0|2,0,1]=4 2442 B11R1.24 CC1=CCC=C(CSCO)N1 Amb27794614 [0,1,0,0,0,0|2,0,1]=4 2443 B11R1.24 CCC#Cc1cccc(Br)c1 Amb27879679 [0,1,0,0,0,0|1,0,2]=4 2444 B11R1.24 CCC#Cc1cccc(C)c1 Amb28185115 [0,1,0,0,0,0|1,0,2]=4 2445 B11R1.24 CCC#Cc1cccc(Cl)c1 Amb27653230 [0,1,0,0,0,0|1,0,2]=4 2446 B11R1.24 CCC#Cc1cccc(F)c1 Amb28061236 [0,1,0,0,0,0|1,0,2]=4 2447 B11R1.24 CCC#Cc1cccc(I)c1 Amb27436600 [0,1,0,0,0,0|1,0,2]=4 2448 B11R1.24 CCC#Cc1cccc(N)c1 Amb26513950 [0,1,0,0,0,0|1,0,2]=4 2449 B11R1.24 CCC#Cc1cccc(O)c1 Amb25139990 [0,1,0,0,0,0|1,0,2]=4 2450 B11R1.24 CCCCC1=CC(=O)C=CS1 Amb27855025 [0,1,0,0,0,0|2,0,0]=3 2451 B11R1.24 CCCCC1=CC(=S)C=CN1 Amb28119415 [0,1,0,0,0,0|2,0,0]=3 2452 B11R1.24 CCCCC1=CN=CC(=O)N1 Amb28203913 [0,1,0,0,0,0|3,0,0]=4 2453 B11R1.24 CCCCC1=NC(=O)NC=C1 Amb27849977 [0,1,0,0,0,0|3,0,0]=4 2454 B11R1.24 CCCCC1=NC=CC(=O)N1 Amb27154437 [0,1,0,0,0,0|3,0,0]=4 2455 B11R1.24 CCCC[n+]1cccc(C)c1 Amb22411627 [0,1,0,0,0,0|2,0,0]=3 2456 B11R1.24 CCCC[n+]1cccc(C)c1 Amb24323548 [0,1,0,0,0,0|2,0,0]=3 2457 B11R1.24 CCCC[n+]1cccc(C)c1 Amb33934312 [0,1,0,0,0,0|2,0,0]=3 2458 B11R1.24 CCCCc1cc(Br)ccn1 Amb24083005 [0,1,0,0,0,0|2,0,0]=3 2459 B11R1.24 CCCCc1cc(Cl)ncn1 Amb9174459 [0,1,0,0,0,0|3,0,0]=4 2460 B11R1.24 CCCCc1cc(N)ccn1 Amb30010808 [0,1,0,0,0,0|2,0,0]=3 2461 B11R1.24 CCCCc1cc(O)ncn1 Amb9174446 [0,1,0,0,0,0|3,0,0]=4 2462 B11R1.24 CCCCc1cccc(Br)c1 Amb19944057 [0,1,0,0,0,0|1,0,0]=2 2463 B11R1.24 CCCCc1cccc(C)c1 Amb22730119 [0,1,0,0,0,0|1,0,0]=2 2464 B11R1.24 CCCCc1cccc(Cl)c1 Amb26984112 [0,1,0,0,0,0|1,0,0]=2 2465 B11R1.24 CCCCc1cccc(F)c1 Amb27221595 [0,1,0,0,0,0|1,0,0]=2 2466 B11R1.24 CCCCc1cccc(F)n1 Amb28280759 [0,1,0,0,0,0|2,0,0]=3 2467 B11R1.24 CCCCc1cccc(I)c1 Amb19944046 [0,1,0,0,0,0|1,0,0]=2 2468 B11R1.24 CCCCc1cccc(N)c1 Amb17593719 [0,1,0,0,0,0|1,0,0]=2 2469 B11R1.24 CCCCc1cccc(N)n1 Amb18644442 [0,1,0,0,0,0|2,0,0]=3 2470 B11R1.24 CCCCc1cccc(O)c1 Amb26463186 [0,1,0,0,0,0|1,0,0]=2 2471 B11R1.24 CCCCc1ccnc(C)c1 Amb27176838 [0,1,0,0,0,0|2,0,0]=3 2472 B11R1.24 CCCCc1ccnc(Cl)c1 Amb27250650 [0,1,0,0,0,0|2,0,0]=3 2473 B11R1.24 CCCCc1ccnc(N)n1 Amb25059121 [0,1,0,0,0,0|3,0,0]=4 2474 B11R1.24 CCCCc1ccnc(O)c1 Amb22749775 [0,1,0,0,0,0|2,0,0]=3 2475 B11R1.24 CCCCc1cncc(O)c1 Amb28383031 [0,1,0,0,0,0|2,0,0]=3 2476 B11R1.24 CCCCc1cncc(S)c1 Amb33276291 [0,1,0,0,0,0|2,0,0]=3 2477 B11R1.24 CCCCc1nccc(F)n1 Amb35642817 [0,1,0,0,0,0|3,0,0]=4 2478 B11R1.24 CCCNc1cc(Br)ccn1 Amb19959557 [0,1,0,0,0,0|3,0,0]=4 2479 B11R1.24 CCCNc1cc(N)ccn1 Amb17334314 [0,1,0,0,0,0|3,0,0]=4 2480 B11R1.24 CCCNc1cccc(Br)c1 Amb6696672 [0,1,0,0,0,0|2,0,0]=3 2481 B11R1.24 CCCNc1cccc(Br)n1 Amb22831396 [0,1,0,0,0,0|3,0,0]=4 2482 B11R1.24 CCCNc1cccc(Br)n1 Amb25145786 [0,1,0,0,0,0|3,0,0]=4 2483 B11R1.24 CCCNc1cccc(C)c1 Amb6684516 [0,1,0,0,0,0|2,0,0]=3 2484 B11R1.24 CCCNc1cccc(Cl)c1 Amb6695728 [0,1,0,0,0,0|2,0,0]=3 2485 B11R1.24 CCCNc1cccc(Cl)n1 Amb21958678 [0,1,0,0,0,0|3,0,0]=4 2486 B11R1.24 CCCNc1cccc(F)c1 Amb6695885 [0,1,0,0,0,0|2,0,0]=3 2487 B11R1.24 CCCNc1cccc(F)n1 Amb18973532 [0,1,0,0,0,0|3,0,0]=4 2488 B11R1.24 CCCNc1cccc(N)c1 Amb8825430 [0,1,0,0,0,0|2,0,0]=3 2489 B11R1.24 CCCNc1ccnc(Br)c1 Amb27432407 [0,1,0,0,0,0|3,0,0]=4 2490 B11R1.24 CCCNc1ccnc(C)c1 Amb27637577 [0,1,0,0,0,0|3,0,0]=4 2491 B11R1.24 CCCNc1ccnc(Cl)c1 Amb27989155 [0,1,0,0,0,0|3,0,0]=4 2492 B11R1.24 CCCNc1ccnc(F)c1 Amb27263304 [0,1,0,0,0,0|3,0,0]=4 2493 B11R1.24 CCCOc1cc(Br)ccn1 Amb10599830 [0,1,0,0,0,0|3,0,0]=4 2494 B11R1.24 CCCOc1cc(N)ccn1 Amb18981543 [0,1,0,0,0,0|3,0,0]=4 2495 B11R1.24 CCCOc1cccc(Br)c1 Amb33532692 [0,1,0,0,0,0|2,0,0]=3 2496 B11R1.24 CCCOc1cccc(Br)n1 Amb10599306 [0,1,0,0,0,0|3,0,0]=4 2497 B11R1.24 CCCOc1cccc(C)c1 Amb10573406 [0,1,0,0,0,0|2,0,0]=3 2498 B11R1.24 CCCOc1cccc(Cl)c1 Amb25787001 [0,1,0,0,0,0|2,0,0]=3 2499 B11R1.24 CCCOc1cccc(F)c1 Amb25700428 [0,1,0,0,0,0|2,0,0]=3 2500 B11R1.24 CCCOc1cccc(I)c1 Amb27393748 [0,1,0,0,0,0|2,0,0]=3 2501 B11R1.24 CCCOc1cccc(N)c1 Amb1138945 [0,1,0,0,0,0|2,0,0]=3 2502 B11R1.24 CCCOc1cccc(N)n1 Amb2610093 [0,1,0,0,0,0|3,0,0]=4 2503 B11R1.24 CCCOc1cccc(O)c1 Amb8837439 [0,1,0,0,0,0|2,0,0]=3 2504 B11R1.24 CCCOc1cccc(S)c1 Amb26554006 [0,1,0,0,0,0|2,0,0]=3 2505 B11R1.24 CCCOc1ccnc(Br)c1 Amb10599900 [0,1,0,0,0,0|3,0,0]=4 2506 B11R1.24 CCCOc1ccnc(N)c1 Amb20617625 [0,1,0,0,0,0|3,0,0]=4 2507 B11R1.24 CCCOc1cncc(Br)c1 Amb19959579 [0,1,0,0,0,0|3,0,0]=4 2508 B11R1.24 CCCOc1cncc(Cl)c1 Amb27593846 [0,1,0,0,0,0|3,0,0]=4 2509 B11R1.24 CCCOc1cncc(I)c1 Amb32685573 [0,1,0,0,0,0|3,0,0]=4 2510 B11R1.24 CCCOc1cncc(N)c1 Amb24320310 [0,1,0,0,0,0|3,0,0]=4 2511 B11R1.24 CCCOc1cncc(O)c1 Amb28118678 [0,1,0,0,0,0|3,0,0]=4 2512 B11R1.24 CCCSc1cc(N)ccn1 Amb18293405 [0,1,0,0,0,0|3,0,0]=4 2513 B11R1.24 CCCSc1cccc(Br)c1 Amb24538191 [0,1,0,0,0,0|2,0,0]=3 2514 B11R1.24 CCCSc1cccc(C)c1 Amb28315009 [0,1,0,0,0,0|2,0,0]=3 2515 B11R1.24 CCCSc1cccc(C)n1 Amb28066111 [0,1,0,0,0,0|3,0,0]=4 2516 B11R1.24 CCCSc1cccc(Cl)c1 Amb25801816 [0,1,0,0,0,0|2,0,0]=3 2517 B11R1.24 CCCSc1cccc(Cl)n1 Amb28136140 [0,1,0,0,0,0|3,0,0]=4 2518 B11R1.24 CCCSc1cccc(F)n1 Amb18177984 [0,1,0,0,0,0|3,0,0]=4 2519 B11R1.24 CCCSc1cccc(N)c1 Amb18289141 [0,1,0,0,0,0|2,0,0]=3 2520 B11R1.24 CCCSc1cccc(N)n1 Amb26455919 [0,1,0,0,0,0|3,0,0]=4 2521 B11R1.24 CCCSc1cccc(S)c1 Amb26337168 [0,1,0,0,0,0|2,0,0]=3 2522 B11R1.24 CCCSc1ccnc(Cl)c1 Amb27461412 [0,1,0,0,0,0|3,0,0]=4 2523 B11R1.24 CCCSc1cncc(C)c1 Amb28365669 [0,1,0,0,0,0|3,0,0]=4 2524 B11R1.24 CCCSc1cncc(Cl)c1 Amb27240056 [0,1,0,0,0,0|3,0,0]=4 2525 B11R1.24 CCCSc1cncc(N)c1 Amb27176777 [0,1,0,0,0,0|3,0,0]=4 2526 B11R1.24 CCNCC1=CC(=O)NC=C1 Amb27446455 [0,1,0,0,0,0|3,0,0]=4 2527 B11R1.24 CCNCC1=CC=CC(=O)N1 Amb25148033 [0,1,0,0,0,0|3,0,0]=4 2528 B11R1.24 CCNCc1cc(Cl)ccn1 Amb28250235 [0,1,0,0,0,0|3,0,0]=4 2529 B11R1.24 CCNCc1cc(N)ccn1 Amb28076439 [0,1,0,0,0,0|3,0,0]=4 2530 B11R1.24 CCNCc1cccc(Br)c1 Amb13949217 [0,1,0,0,0,0|2,0,0]=3 2531 B11R1.24 CCNCc1cccc(Br)c1 Amb838402 [0,1,0,0,0,0|2,0,0]=3 2532 B11R1.24 CCNCc1cccc(C)c1 Amb6242953 [0,1,0,0,0,0|2,0,0]=3 2533 B11R1.24 CCNCc1cccc(C)n1 Amb2592511 [0,1,0,0,0,0|3,0,0]=4 2534 B11R1.24 CCNCc1cccc(Cl)c1 Amb29845814 [0,1,0,0,0,0|2,0,0]=3 2535 B11R1.24 CCNCc1cccc(Cl)c1 Amb6245035 [0,1,0,0,0,0|2,0,0]=3 2536 B11R1.24 CCNCc1cccc(F)c1 Amb435909 [0,1,0,0,0,0|2,0,0]=3 2537 B11R1.24 CCNCc1cccc(O)c1 Amb6260672 [0,1,0,0,0,0|2,0,0]=3 2538 B11R1.24 CCNCc1ccnc(N)c1 Amb27860167 [0,1,0,0,0,0|3,0,0]=4 2539 B11R1.24 CCNCc1cncc(Br)c1 Amb28984155 [0,1,0,0,0,0|3,0,0]=4 2540 B11R1.24 CCNCc1cncc(Br)c1 Amb9214721 [0,1,0,0,0,0|3,0,0]=4 2541 B11R1.24 CCNCc1cncc(F)c1 Amb25728604 [0,1,0,0,0,0|3,0,0]=4 2542 B11R1.24 CCOCc1cc(N)ccn1 Amb27976333 [0,1,0,0,0,0|3,0,0]=4 2543 B11R1.24 CCOCc1cccc(Br)c1 Amb23512545 [0,1,0,0,0,0|2,0,0]=3 2544 B11R1.24 CCOCc1cccc(Cl)c1 Amb24486866 [0,1,0,0,0,0|2,0,0]=3 2545 B11R1.24 CCOCc1cccc(N)c1 Amb6244214 [0,1,0,0,0,0|2,0,0]=3 2546 B11R1.24 CCOCc1cccc(O)c1 Amb23443319 [0,1,0,0,0,0|2,0,0]=3 2547 B11R1.24 CCOCc1ccnc(N)c1 Amb18298616 [0,1,0,0,0,0|3,0,0]=4 2548 B11R1.24 CCOCc1cncc(Br)c1 Amb26348458 [0,1,0,0,0,0|3,0,0]=4 2549 B11R1.24 CCSCc1cc(Cl)ccn1 Amb27452929 [0,1,0,0,0,0|3,0,0]=4 2550 B11R1.24 CCSCc1cccc(Br)c1 Amb24476579 [0,1,0,0,0,0|2,0,0]=3 2551 B11R1.24 CCSCc1cccc(Br)n1 Amb27176673 [0,1,0,0,0,0|3,0,0]=4 2552 B11R1.24 CCSCc1cccc(Cl)c1 Amb25891456 [0,1,0,0,0,0|2,0,0]=3 2553 B11R1.24 CCSCc1cccc(F)c1 Amb27406048 [0,1,0,0,0,0|2,0,0]=3 2554 B11R1.24 CCSCc1cccc(N)c1 Amb6680425 [0,1,0,0,0,0|2,0,0]=3 2555 B11R1.24 CCSCc1cccc(N)n1 Amb27598649 [0,1,0,0,0,0|3,0,0]=4 2556 B11R1.24 CCSCc1ccnc(N)c1 Amb18298621 [0,1,0,0,0,0|3,0,0]=4 2557 B11R1.24 CC\C=C\c1cccc(O)c1 Amb16231489 [0,1,0,0,0,0|1,0,2]=4 2558 B11R1.24 CNCCC1=CC=CC(=O)N1 Amb27847152 [0,1,0,0,0,0|3,0,0]=4 2559 B11R1.24 CNCCc1cc(C)ccn1 Amb18125194 [0,1,0,0,0,0|3,0,0]=4 2560 B11R1.24 CNCCc1cc(Cl)ccn1 Amb25163179 [0,1,0,0,0,0|3,0,0]=4 2561 B11R1.24 CNCCc1cc(F)ccn1 Amb33415291 [0,1,0,0,0,0|3,0,0]=4 2562 B11R1.24 CNCCc1cccc(Br)c1 Amb16230486 [0,1,0,0,0,0|2,0,0]=3 2563 B11R1.24 CNCCc1cccc(Br)c1 Amb28652826 [0,1,0,0,0,0|2,0,0]=3 2564 B11R1.24 CNCCc1cccc(Br)n1 Amb25324918 [0,1,0,0,0,0|3,0,0]=4 2565 B11R1.24 CNCCc1cccc(C)c1 Amb16230487 [0,1,0,0,0,0|2,0,0]=3 2566 B11R1.24 CNCCc1cccc(C)n1 Amb18125196 [0,1,0,0,0,0|3,0,0]=4 2567 B11R1.24 CNCCc1cccc(Cl)c1 Amb5785537 [0,1,0,0,0,0|2,0,0]=3 2568 B11R1.24 CNCCc1cccc(Cl)n1 Amb24679236 [0,1,0,0,0,0|3,0,0]=4 2569 B11R1.24 CNCCc1cccc(F)c1 Amb8841505 [0,1,0,0,0,0|2,0,0]=3 2570 B11R1.24 CNCCc1cccc(N)c1 Amb18550411 [0,1,0,0,0,0|2,0,0]=3 2571 B11R1.24 CNCCc1cccc(N)n1 Amb27778638 [0,1,0,0,0,0|3,0,0]=4 2572 B11R1.24 CNCCc1cccc(O)c1 Amb18560894 [0,1,0,0,0,0|2,0,0]=3 2573 B11R1.24 CNCCc1ccnc(C)c1 Amb33227097 [0,1,0,0,0,0|3,0,0]=4 2574 B11R1.24 CNCCc1ccnc(Cl)c1 Amb24407156 [0,1,0,0,0,0|3,0,0]=4 2575 B11R1.24 CNCCc1ccnc(N)c1 Amb27759957 [0,1,0,0,0,0|3,0,0]=4 2576 B11R1.24 CNCCc1cncc(Br)c1 Amb25149055 [0,1,0,0,0,0|3,0,0]=4 2577 B11R1.24 CNCCc1cncc(C)c1 Amb27176243 [0,1,0,0,0,0|3,0,0]=4 2578 B11R1.24 CNCCc1cncc(F)c1 Amb18993612 [0,1,0,0,0,0|3,0,0]=4 2579 B11R1.24 CNOCc1cccc(I)c1 Amb32412842 [0,1,0,0,0,0|3,0,0]=4 2580 B11R1.24 COCC[n+]1cccc(Br)c1 Amb28189045 [0,1,0,0,0,0|3,0,0]=4 2581 B11R1.24 COCCc1cccc(O)c1 Amb22055706 [0,1,0,0,0,0|2,0,0]=3 2582 B11R1.24 COCCc1ccnc(C)c1 Amb27606969 [0,1,0,0,0,0|3,0,0]=4 2583 B11R1.24 COCCc1ccnc(N)c1 Amb27665601 [0,1,0,0,0,0|3,0,0]=4 2584 B11R1.24 COCOc1cccc(Br)c1 Amb25810590 [0,1,0,0,0,0|3,0,0]=4 2585 B11R1.24 COCOc1cccc(C)c1 Amb27169027 [0,1,0,0,0,0|3,0,0]=4 2586 B11R1.24 COCOc1cccc(Cl)c1 Amb24551706 [0,1,0,0,0,0|3,0,0]=4 2587 B11R1.24 COCOc1cccc(F)c1 Amb21858121 [0,1,0,0,0,0|3,0,0]=4 2588 B11R1.24 COCOc1cccc(N)c1 Amb25096531 [0,1,0,0,0,0|3,0,0]=4 2589 B11R1.24 COCOc1cccc(O)c1 Amb26575320 [0,1,0,0,0,0|3,0,0]=4 2590 B11R1.24 COCSc1cccc(Br)c1 Amb27196993 [0,1,0,0,0,0|3,0,0]=4 2591 B11R1.24 CONCc1cccc(Cl)c1 Amb27251173 [0,1,0,0,0,0|3,0,0]=4 2592 B11R1.24 CONCc1cccc(F)c1 Amb26643051 [0,1,0,0,0,0|3,0,0]=4 2593 B11R1.24 CSCCC1=CC=CC(=O)N1 Amb28292737 [0,1,0,0,0,0|3,0,0]=4 2594 B11R1.24 CSCSc1cccc(C)c1 Amb27172833 [0,1,0,0,0,0|3,0,0]=4 2595 B11R1.24 CSCSc1cccc(O)c1 Amb28201670 [0,1,0,0,0,0|3,0,0]=4 2596 B11R1.24 Cc1cc(CCC#N)ccn1 Amb33268167 [0,1,0,0,0,0|2,0,1]=4 2597 B11R1.24 Cc1cc(CCC=O)ccn1 Amb27208272 [0,1,0,0,0,0|1,0,2]=4 2598 B11R1.24 Cc1cc(CCCBr)ccn1 Amb26334266 [0,1,0,0,0,0|2,0,0]=3 2599 B11R1.24 Cc1cc(CCCN)ccn1 Amb18201861 [0,1,0,0,0,0|2,0,0]=3 2600 B11R1.24 Cc1cc(CCCN)ncn1 Amb18201567 [0,1,0,0,0,0|3,0,0]=4 2601 B11R1.24 Cc1cc(CCCO)ccn1 Amb2694528 [0,1,0,0,0,0|1,0,0]=2 2602 B11R1.24 Cc1cc(CCCS)ccn1 Amb32732789 [0,1,0,0,0,0|1,1,0]=3 2603 B11R1.24 Cc1cc(CCON)ccn1 Amb32732958 [0,1,0,0,0,0|3,0,0]=4 2604 B11R1.24 Cc1cc(NCCCl)ccn1 Amb28050822 [0,1,0,0,0,0|3,0,0]=4 2605 B11R1.24 Cc1cc(NCCO)ccn1 Amb27453034 [0,1,0,0,0,0|2,0,0]=3 2606 B11R1.24 Cc1cc(OCCN)ccn1 Amb25961559 [0,1,0,0,0,0|3,0,0]=4 2607 B11R1.24 Cc1cc(SCCO)ncn1 Amb18177938 [0,1,0,0,0,0|3,0,0]=4 2608 B11R1.24 Cc1cc(\C=C\CO)ccn1 Amb32733165 [0,1,0,0,0,0|1,0,2]=4 2609 B11R1.24 Cc1cccc(C#CCBr)c1 Amb27873356 [0,1,0,0,0,0|1,0,2]=4 2610 B11R1.24 Cc1cccc(C#CCCl)c1 Amb18792611 [0,1,0,0,0,0|1,0,2]=4 2611 B11R1.24 Cc1cccc(C#CCF)c1 Amb25947903 [0,1,0,0,0,0|1,0,2]=4 2612 B11R1.24 Cc1cccc(C#CCN)c1 Amb18949797 [0,1,0,0,0,0|1,0,2]=4 2613 B11R1.24 Cc1cccc(C#CCO)c1 Amb27654727 [0,1,0,0,0,0|0,0,2]=3 2614 B11R1.24 Cc1cccc(C#CCO)n1 Amb25169280 [0,1,0,0,0,0|1,0,2]=4 2615 B11R1.24 Cc1cccc(CCC#N)c1 Amb17204296 [0,1,0,0,0,0|1,0,1]=3 2616 B11R1.24 Cc1cccc(CCC#N)n1 Amb24085300 [0,1,0,0,0,0|2,0,1]=4 2617 B11R1.24 Cc1cccc(CCC=O)c1 Amb6306216 [0,1,0,0,0,0|0,0,2]=3 2618 B11R1.24 Cc1cccc(CCC=O)n1 Amb27949575 [0,1,0,0,0,0|1,0,2]=4 2619 B11R1.24 Cc1cccc(CCCBr)c1 Amb17104553 [0,1,0,0,0,0|1,0,0]=2 2620 B11R1.24 Cc1cccc(CCCBr)n1 Amb33336293 [0,1,0,0,0,0|2,0,0]=3 2621 B11R1.24 Cc1cccc(CCCCl)c1 Amb17104526 [0,1,0,0,0,0|1,0,0]=2 2622 B11R1.24 Cc1cccc(CCCN)c1 Amb844760 [0,1,0,0,0,0|1,0,0]=2 2623 B11R1.24 Cc1cccc(CCCN)n1 Amb8009830 [0,1,0,0,0,0|2,0,0]=3 2624 B11R1.24 Cc1cccc(CCCO)c1 Amb17089495 [0,1,0,0,0,0|0,0,0]=1 2625 B11R1.24 Cc1cccc(CCCO)n1 Amb2694519 [0,1,0,0,0,0|1,0,0]=2 2626 B11R1.24 Cc1cccc(CCCS)c1 Amb17400219 [0,1,0,0,0,0|0,1,0]=2 2627 B11R1.24 Cc1cccc(CCCS)n1 Amb33226187 [0,1,0,0,0,0|1,1,0]=3 2628 B11R1.24 Cc1cccc(CCNN)c1 Amb17399915 [0,1,0,0,0,0|2,0,0]=3 2629 B11R1.24 Cc1cccc(CCNN)n1 Amb27779952 [0,1,0,0,0,0|3,0,0]=4 2630 B11R1.24 Cc1cccc(CCON)c1 Amb25704227 [0,1,0,0,0,0|2,0,0]=3 2631 B11R1.24 Cc1cccc(CCON)n1 Amb33199942 [0,1,0,0,0,0|3,0,0]=4 2632 B11R1.24 Cc1cccc(CC[Zn]Br)c1 Amb6300300 [0,1,0,0,0,0|2,0,0]=3 2633 B11R1.24 Cc1cccc(CN=C=O)c1 Amb3939295 [0,1,0,0,0,0|1,0,2]=4 2634 B11R1.24 Cc1cccc(CN=C=S)c1 Amb2689352 [0,1,0,0,0,0|1,1,1]=4 2635 B11R1.24 Cc1cccc(CN=[N+]=[N-])c1 Amb33528163 [0,1,0,0,0,0|3,0,0]=4 2636 B11R1.24 Cc1cccc(CNC=O)c1 Amb27752387 [0,1,0,0,0,0|1,0,2]=4 2637 B11R1.24 Cc1cccc(NCC#N)c1 Amb6706712 [0,1,0,0,0,0|2,0,1]=4 2638 B11R1.24 Cc1cccc(NCCBr)c1 Amb27839685 [0,1,0,0,0,0|2,0,0]=3 2639 B11R1.24 Cc1cccc(NCCCl)c1 Amb17334786 [0,1,0,0,0,0|2,0,0]=3 2640 B11R1.24 Cc1cccc(NCCN)c1 Amb17057745 [0,1,0,0,0,0|2,0,0]=3 2641 B11R1.24 Cc1cccc(NCCN)n1 Amb18970380 [0,1,0,0,0,0|3,0,0]=4 2642 B11R1.24 Cc1cccc(NCCN)n1 Amb19440303 [0,1,0,0,0,0|3,0,0]=4 2643 B11R1.24 Cc1cccc(NCCO)c1 Amb6706757 [0,1,0,0,0,0|1,0,0]=2 2644 B11R1.24 Cc1cccc(NCCO)n1 Amb18290373 [0,1,0,0,0,0|2,0,0]=3 2645 B11R1.24 Cc1cccc(OCC#N)c1 Amb5780889 [0,1,0,0,0,0|2,0,1]=4 2646 B11R1.24 Cc1cccc(OCC=O)c1 Amb5731820 [0,1,0,0,0,0|1,0,2]=4 2647 B11R1.24 Cc1cccc(OCCBr)c1 Amb1643479 [0,1,0,0,0,0|2,0,0]=3 2648 B11R1.24 Cc1cccc(OCCCl)c1 Amb9209776 [0,1,0,0,0,0|2,0,0]=3 2649 B11R1.24 Cc1cccc(OCCI)c1 Amb27260656 [0,1,0,0,0,0|2,0,0]=3 2650 B11R1.24 Cc1cccc(OCCN)c1 Amb1098983 [0,1,0,0,0,0|2,0,0]=3 2651 B11R1.24 Cc1cccc(OCCN)c1 Amb4008296 [0,1,0,0,0,0|2,0,0]=3 2652 B11R1.24 Cc1cccc(OCCN)n1 Amb18296490 [0,1,0,0,0,0|3,0,0]=4 2653 B11R1.24 Cc1cccc(OCCO)c1 Amb2209346 [0,1,0,0,0,0|1,0,0]=2 2654 B11R1.24 Cc1cccc(OCCO)n1 Amb22900069 [0,1,0,0,0,0|2,0,0]=3 2655 B11R1.24 Cc1cccc(OCCS)c1 Amb17232680 [0,1,0,0,0,0|1,1,0]=3 2656 B11R1.24 Cc1cccc(SCC#N)c1 Amb18788233 [0,1,0,0,0,0|2,0,1]=4 2657 B11R1.24 Cc1cccc(SCC=O)c1 Amb17082932 [0,1,0,0,0,0|1,0,2]=4 2658 B11R1.24 Cc1cccc(SCCBr)c1 Amb24753608 [0,1,0,0,0,0|2,0,0]=3 2659 B11R1.24 Cc1cccc(SCCCl)n1 Amb19059627 [0,1,0,0,0,0|3,0,0]=4 2660 B11R1.24 Cc1cccc(SCCN)c1 Amb17083043 [0,1,0,0,0,0|2,0,0]=3 2661 B11R1.24 Cc1cccc(\C=C\CN)c1 Amb18065182 [0,1,0,0,0,0|1,0,2]=4 2662 B11R1.24 Cc1cccc(\C=C\CO)c1 Amb23442940 [0,1,0,0,0,0|0,0,2]=3 2663 B11R1.24 Cc1cccc(\C=C\CO)n1 Amb33201938 [0,1,0,0,0,0|1,0,2]=4 2664 B11R1.24 Cc1ccnc(C#CCO)c1 Amb27244944 [0,1,0,0,0,0|1,0,2]=4 2665 B11R1.24 Cc1ccnc(CCC#N)c1 Amb18124805 [0,1,0,0,0,0|2,0,1]=4 2666 B11R1.24 Cc1ccnc(CCC=O)c1 Amb33317814 [0,1,0,0,0,0|1,0,2]=4 2667 B11R1.24 Cc1ccnc(CCCBr)c1 Amb33387659 [0,1,0,0,0,0|2,0,0]=3 2668 B11R1.24 Cc1ccnc(CCCN)c1 Amb18201862 [0,1,0,0,0,0|2,0,0]=3 2669 B11R1.24 Cc1ccnc(CCCN)c1 Amb22886487 [0,1,0,0,0,0|2,0,0]=3 2670 B11R1.24 Cc1ccnc(CCCN)n1 Amb18064067 [0,1,0,0,0,0|3,0,0]=4 2671 B11R1.24 Cc1ccnc(CCCO)c1 Amb26476245 [0,1,0,0,0,0|1,0,0]=2 2672 B11R1.24 Cc1ccnc(CCCS)c1 Amb33317781 [0,1,0,0,0,0|1,1,0]=3 2673 B11R1.24 Cc1ccnc(CCON)c1 Amb33318126 [0,1,0,0,0,0|3,0,0]=4 2674 B11R1.24 Cc1ccnc(NCCN)c1 Amb10607842 [0,1,0,0,0,0|3,0,0]=4 2675 B11R1.24 Cc1ccnc(NCCO)c1 Amb18981411 [0,1,0,0,0,0|2,0,0]=3 2676 B11R1.24 Cc1ccnc(NCCO)c1 Amb19374562 [0,1,0,0,0,0|2,0,0]=3 2677 B11R1.24 Cc1ccnc(NCCO)n1 Amb19000715 [0,1,0,0,0,0|3,0,0]=4 2678 B11R1.24 Cc1ccnc(OCCN)c1 Amb18988887 [0,1,0,0,0,0|3,0,0]=4 2679 B11R1.24 Cc1ccnc(SCCN)c1 Amb18908763 [0,1,0,0,0,0|3,0,0]=4 2680 B11R1.24 Cc1ccnc(\C=C\CO)c1 Amb27650189 [0,1,0,0,0,0|1,0,2]=4 2681 B11R1.24 Cc1cncc(CCC#N)c1 Amb33318376 [0,1,0,0,0,0|2,0,1]=4 2682 B11R1.24 Cc1cncc(CCC=O)c1 Amb33531659 [0,1,0,0,0,0|1,0,2]=4 2683 B11R1.24 Cc1cncc(CCCBr)c1 Amb26606564 [0,1,0,0,0,0|2,0,0]=3 2684 B11R1.24 Cc1cncc(CCCN)c1 Amb24509275 [0,1,0,0,0,0|2,0,0]=3 2685 B11R1.24 Cc1cncc(CCCN)n1 Amb29850676 [0,1,0,0,0,0|3,0,0]=4 2686 B11R1.24 Cc1cncc(CCCO)c1 Amb26350639 [0,1,0,0,0,0|1,0,0]=2 2687 B11R1.24 Cc1cncc(CCCS)c1 Amb33316889 [0,1,0,0,0,0|1,1,0]=3 2688 B11R1.24 Cc1cncc(CCON)c1 Amb33318018 [0,1,0,0,0,0|3,0,0]=4 2689 B11R1.24 Cc1cncc(OCCN)c1 Amb33317154 [0,1,0,0,0,0|3,0,0]=4 2690 B11R1.24 Cc1cncc(\C=C\CO)c1 Amb33317992 [0,1,0,0,0,0|1,0,2]=4 2691 B11R1.24 ClCC#Cc1cccc(Br)c1 Amb25132294 [0,1,0,0,0,0|1,0,2]=4 2692 B11R1.24 ClCC#Cc1cccc(Cl)c1 Amb19067004 [0,1,0,0,0,0|1,0,2]=4 2693 B11R1.24 ClCCCc1cccc(Br)c1 Amb17104548 [0,1,0,0,0,0|1,0,0]=2 2694 B11R1.24 ClCCCc1cccc(Cl)c1 Amb17104534 [0,1,0,0,0,0|1,0,0]=2 2695 B11R1.24 ClCCCc1cncc(Br)c1 Amb27478439 [0,1,0,0,0,0|2,0,0]=3 2696 B11R1.24 ClCCCc1cncc(Cl)c1 Amb32691049 [0,1,0,0,0,0|2,0,0]=3 2697 B11R1.24 ClCCNc1cccc(Br)c1 Amb17346197 [0,1,0,0,0,0|2,0,0]=3 2698 B11R1.24 ClCCNc1cccc(Cl)c1 Amb17336181 [0,1,0,0,0,0|2,0,0]=3 2699 B11R1.24 ClCCOc1cccc(Br)c1 Amb8828434 [0,1,0,0,0,0|2,0,0]=3 2700 B11R1.24 ClCCOc1cccc(Cl)c1 Amb9209777 [0,1,0,0,0,0|2,0,0]=3 2701 B11R1.24 ClCCOc1cccc(I)c1 Amb8838634 [0,1,0,0,0,0|2,0,0]=3 2702 B11R1.24 ClCCOc1cncc(Br)c1 Amb27617408 [0,1,0,0,0,0|3,0,0]=4 2703 B11R1.24 ClCCOc1cncc(Cl)c1 Amb28314125 [0,1,0,0,0,0|3,0,0]=4 2704 B11R1.24 ClCCSc1cccc(Br)c1 Amb25887053 [0,1,0,0,0,0|2,0,0]=3 2705 B11R1.24 ClCOCc1cccc(Br)c1 Amb27489432 [0,1,0,0,0,0|2,0,0]=3 2706 B11R1.24 Clc1cc(CCCBr)ccn1 Amb33435698 [0,1,0,0,0,0|2,0,0]=3 2707 B11R1.24 Clc1cccc(C#CCBr)c1 Amb24437476 [0,1,0,0,0,0|1,0,2]=4 2708 B11R1.24 Clc1cccc(C#CCI)c1 Amb25978158 [0,1,0,0,0,0|1,0,2]=4 2709 B11R1.24 Clc1cccc(CCCBr)c1 Amb17104561 [0,1,0,0,0,0|1,0,0]=2 2710 B11R1.24 Clc1cccc(CCCBr)n1 Amb33006851 [0,1,0,0,0,0|2,0,0]=3 2711 B11R1.24 Clc1cccc(OCCBr)c1 Amb1152965 [0,1,0,0,0,0|2,0,0]=3 2712 B11R1.24 Clc1cccc(SCCBr)c1 Amb27403537 [0,1,0,0,0,0|2,0,0]=3 2713 B11R1.24 Clc1ccnc(CCCBr)c1 Amb33432325 [0,1,0,0,0,0|2,0,0]=3 2714 B11R1.24 Clc1cncc(CCCBr)c1 Amb32691050 [0,1,0,0,0,0|2,0,0]=3 2715 B11R1.24 Clc1cncc(CCCBr)n1 Amb33434568 [0,1,0,0,0,0|3,0,0]=4 2716 B11R1.24 Clc1cncc(OCCBr)c1 Amb25886996 [0,1,0,0,0,0|3,0,0]=4 2717 B11R1.24 FCC#Cc1cccc(Br)c1 Amb25891530 [0,1,0,0,0,0|1,0,2]=4 2718 B11R1.24 FCC#Cc1cccc(Cl)c1 Amb26996249 [0,1,0,0,0,0|1,0,2]=4 2719 B11R1.24 FCC#Cc1cccc(F)c1 Amb27631331 [0,1,0,0,0,0|1,0,2]=4 2720 B11R1.24 FCCNc1cccc(Br)n1 Amb27753223 [0,1,0,0,0,0|3,0,0]=4 2721 B11R1.24 FCCNc1cccc(Cl)n1 Amb27425167 [0,1,0,0,0,0|3,0,0]=4 2722 B11R1.24 FCCNc1cncc(Br)c1 Amb27832901 [0,1,0,0,0,0|3,0,0]=4 2723 B11R1.24 FCCNc1cncc(Cl)c1 Amb35706905 [0,1,0,0,0,0|3,0,0]=4 2724 B11R1.24 FCCOc1cccc(Br)c1 Amb22227889 [0,1,0,0,0,0|2,0,0]=3 2725 B11R1.24 FCCOc1cccc(Cl)c1 Amb24659046 [0,1,0,0,0,0|2,0,0]=3 2726 B11R1.24 FCCOc1cccc(F)c1 Amb22232794 [0,1,0,0,0,0|2,0,0]=3 2727 B11R1.24 FCCOc1cccc(I)c1 Amb27823595 [0,1,0,0,0,0|2,0,0]=3 2728 B11R1.24 FCCOc1cncc(Br)c1 Amb28068366 [0,1,0,0,0,0|3,0,0]=4 2729 B11R1.24 FCCSc1cccc(Br)c1 Amb28140426 [0,1,0,0,0,0|2,0,0]=3 2730 B11R1.24 Fc1cccc(C#CCBr)c1 Amb26964608 [0,1,0,0,0,0|1,0,2]=4 2731 B11R1.24 Fc1cccc(C#CCCl)c1 Amb18180185 [0,1,0,0,0,0|1,0,2]=4 2732 B11R1.24 Fc1cccc(C#CCI)c1 Amb25797661 [0,1,0,0,0,0|1,0,2]=4 2733 B11R1.24 Fc1cccc(CCCBr)c1 Amb22886712 [0,1,0,0,0,0|1,0,0]=2 2734 B11R1.24 Fc1cccc(CCCCl)c1 Amb18803316 [0,1,0,0,0,0|1,0,0]=2 2735 B11R1.24 Fc1cccc(CCCS)c1 Amb18065480 [0,1,0,0,0,0|0,1,0]=2 2736 B11R1.24 Fc1cccc(CN=C=S)c1 Amb2688053 [0,1,0,0,0,0|1,1,1]=4 2737 B11R1.24 Fc1cccc(NCCCl)c1 Amb17334966 [0,1,0,0,0,0|2,0,0]=3 2738 B11R1.24 Fc1cccc(OCCBr)c1 Amb6255620 [0,1,0,0,0,0|2,0,0]=3 2739 B11R1.24 Fc1cccc(OCCCl)c1 Amb8828438 [0,1,0,0,0,0|2,0,0]=3 2740 B11R1.24 Fc1cccc(OCCS)c1 Amb17232867 [0,1,0,0,0,0|1,1,0]=3 2741 B11R1.24 Fc1cccc(SCCBr)c1 Amb26633460 [0,1,0,0,0,0|2,0,0]=3 2742 B11R1.24 Fc1ccnc(CCCBr)c1 Amb33384902 [0,1,0,0,0,0|2,0,0]=3 2743 B11R1.24 Fc1ccnc(CCCS)c1 Amb33325108 [0,1,0,0,0,0|1,1,0]=3 2744 B11R1.24 Fc1cncc(CCCBr)c1 Amb25923217 [0,1,0,0,0,0|2,0,0]=3 2745 B11R1.24 Fc1cncc(CCCS)c1 Amb33314006 [0,1,0,0,0,0|1,1,0]=3 2746 B11R1.24 ICC#Cc1cccc(I)c1 Amb24729732 [0,1,0,0,0,0|1,0,2]=4 2747 B11R1.24 N#CCCc1cc(F)ccn1 Amb33414999 [0,1,0,0,0,0|2,0,1]=4 2748 B11R1.24 N#CCCc1cccc(Br)c1 Amb2685459 [0,1,0,0,0,0|1,0,1]=3 2749 B11R1.24 N#CCCc1cccc(Br)n1 Amb33432761 [0,1,0,0,0,0|2,0,1]=4 2750 B11R1.24 N#CCCc1cccc(Cl)c1 Amb17204310 [0,1,0,0,0,0|1,0,1]=3 2751 B11R1.24 N#CCCc1cccc(Cl)n1 Amb33223303 [0,1,0,0,0,0|2,0,1]=4 2752 B11R1.24 N#CCCc1cccc(F)c1 Amb10841716 [0,1,0,0,0,0|1,0,1]=3 2753 B11R1.24 N#CCCc1cccc(N)c1 Amb25929710 [0,1,0,0,0,0|1,0,1]=3 2754 B11R1.24 N#CCCc1cccc(O)c1 Amb2609108 [0,1,0,0,0,0|1,0,1]=3 2755 B11R1.24 N#CCCc1ccnc(Cl)c1 Amb33261655 [0,1,0,0,0,0|2,0,1]=4 2756 B11R1.24 N#CCCc1cncc(Br)c1 Amb26015978 [0,1,0,0,0,0|2,0,1]=4 2757 B11R1.24 N#CCCc1cncc(F)c1 Amb33196972 [0,1,0,0,0,0|2,0,1]=4 2758 B11R1.24 N#CCNc1cccc(Br)c1 Amb6712240 [0,1,0,0,0,0|2,0,1]=4 2759 B11R1.24 N#CCNc1cccc(Cl)c1 Amb6711835 [0,1,0,0,0,0|2,0,1]=4 2760 B11R1.24 N#CCNc1cccc(F)c1 Amb6711894 [0,1,0,0,0,0|2,0,1]=4 2761 B11R1.24 N#CCOc1cccc(Br)c1 Amb5780906 [0,1,0,0,0,0|2,0,1]=4 2762 B11R1.24 N#CCOc1cccc(Cl)c1 Amb2725935 [0,1,0,0,0,0|2,0,1]=4 2763 B11R1.24 N#CCOc1cccc(F)c1 Amb6257740 [0,1,0,0,0,0|2,0,1]=4 2764 B11R1.24 N#CCOc1cccc(N)c1 Amb6246011 [0,1,0,0,0,0|2,0,1]=4 2765 B11R1.24 N#CCOc1cccc(O)c1 Amb8837476 [0,1,0,0,0,0|2,0,1]=4 2766 B11R1.24 N#CCSc1cccc(Br)c1 Amb20642031 [0,1,0,0,0,0|2,0,1]=4 2767 B11R1.24 N#CCSc1cccc(Cl)c1 Amb18324763 [0,1,0,0,0,0|2,0,1]=4 2768 B11R1.24 N#CCSc1cccc(N)c1 Amb28319445 [0,1,0,0,0,0|2,0,1]=4 2769 B11R1.24 N#CNCc1cccc(N)c1 Amb25148290 [0,1,0,0,0,0|2,0,1]=4 2770 B11R1.24 N#CNCc1cccc(O)c1 Amb27422124 [0,1,0,0,0,0|2,0,1]=4 2771 B11R1.24 N#CSCc1cccc(F)c1 Amb10789220 [0,1,0,0,0,0|2,0,1]=4 2772 B11R1.24 NCC#Cc1cccc(Br)c1 Amb26443230 [0,1,0,0,0,0|1,0,2]=4 2773 B11R1.24 NCC#Cc1cccc(Cl)c1 Amb18957240 [0,1,0,0,0,0|1,0,2]=4 2774 B11R1.24 NCC#Cc1cccc(F)c1 Amb18949810 [0,1,0,0,0,0|1,0,2]=4 2775 B11R1.24 NCC#Cc1cccc(F)c1 Amb28872278 [0,1,0,0,0,0|1,0,2]=4 2776 B11R1.24 NCC#Cc1cccc(I)c1 Amb28321027 [0,1,0,0,0,0|1,0,2]=4 2777 B11R1.24 NCC#Cc1cccc(N)c1 Amb28120131 [0,1,0,0,0,0|1,0,2]=4 2778 B11R1.24 NCC#Cc1cccc(O)c1 Amb25084990 [0,1,0,0,0,0|1,0,2]=4 2779 B11R1.24 NCCCc1cc(Cl)ccn1 Amb24432795 [0,1,0,0,0,0|2,0,0]=3 2780 B11R1.24 NCCCc1cc(Cl)ncn1 Amb25887166 [0,1,0,0,0,0|3,0,0]=4 2781 B11R1.24 NCCCc1cc(F)ccn1 Amb26480133 [0,1,0,0,0,0|2,0,0]=3 2782 B11R1.24 NCCCc1cc(N)ncn1 Amb28196212 [0,1,0,0,0,0|3,0,0]=4 2783 B11R1.24 NCCCc1cc(O)ncn1 Amb18224337 [0,1,0,0,0,0|3,0,0]=4 2784 B11R1.24 NCCCc1cccc(Br)c1 Amb19373503 [0,1,0,0,0,0|1,0,0]=2 2785 B11R1.24 NCCCc1cccc(Br)c1 Amb9304906 [0,1,0,0,0,0|1,0,0]=2 2786 B11R1.24 NCCCc1cccc(Br)n1 Amb25055843 [0,1,0,0,0,0|2,0,0]=3 2787 B11R1.24 NCCCc1cccc(Cl)c1 Amb13951536 [0,1,0,0,0,0|1,0,0]=2 2788 B11R1.24 NCCCc1cccc(Cl)c1 Amb5735480 [0,1,0,0,0,0|1,0,0]=2 2789 B11R1.24 NCCCc1cccc(Cl)n1 Amb27476115 [0,1,0,0,0,0|2,0,0]=3 2790 B11R1.24 NCCCc1cccc(F)c1 Amb13949159 [0,1,0,0,0,0|1,0,0]=2 2791 B11R1.24 NCCCc1cccc(F)c1 Amb9304903 [0,1,0,0,0,0|1,0,0]=2 2792 B11R1.24 NCCCc1cccc(I)c1 Amb26471163 [0,1,0,0,0,0|1,0,0]=2 2793 B11R1.24 NCCCc1cccc(N)c1 Amb17477694 [0,1,0,0,0,0|1,0,0]=2 2794 B11R1.24 NCCCc1cccc(O)c1 Amb17101314 [0,1,0,0,0,0|1,0,0]=2 2795 B11R1.24 NCCCc1cccc(O)c1 Amb33552047 [0,1,0,0,0,0|1,0,0]=2 2796 B11R1.24 NCCCc1cccc(O)c1 Amb33719034 [0,1,0,0,0,0|1,0,0]=2 2797 B11R1.24 NCCCc1ccnc(Cl)c1 Amb25340473 [0,1,0,0,0,0|2,0,0]=3 2798 B11R1.24 NCCCc1ccnc(N)n1 Amb28196325 [0,1,0,0,0,0|3,0,0]=4 2799 B11R1.24 NCCCc1ccnc(S)n1 Amb18199035 [0,1,0,0,0,0|3,0,0]=4 2800 B11R1.24 NCCCc1cncc(Br)c1 Amb25277365 [0,1,0,0,0,0|2,0,0]=3 2801 B11R1.24 NCCCc1cncc(F)c1 Amb25204369 [0,1,0,0,0,0|2,0,0]=3 2802 B11R1.24 NCCCc1nccc(N)n1 Amb27153979 [0,1,0,0,0,0|3,0,0]=4 2803 B11R1.24 NCCCc1nccc(O)n1 Amb18224336 [0,1,0,0,0,0|3,0,0]=4 2804 B11R1.24 NCCNC1=CC=CC(=O)N1 Amb27840014 [0,1,0,0,0,0|3,0,0]=4 2805 B11R1.24 NCCNc1cc(Cl)ccn1 Amb28188710 [0,1,0,0,0,0|3,0,0]=4 2806 B11R1.24 NCCNc1cc(N)ccn1 Amb18298681 [0,1,0,0,0,0|3,0,0]=4 2807 B11R1.24 NCCNc1cccc(Br)c1 Amb33530824 [0,1,0,0,0,0|2,0,0]=3 2808 B11R1.24 NCCNc1cccc(Cl)c1 Amb17057750 [0,1,0,0,0,0|2,0,0]=3 2809 B11R1.24 NCCNc1cccc(Cl)n1 Amb27163532 [0,1,0,0,0,0|3,0,0]=4 2810 B11R1.24 NCCNc1cccc(F)c1 Amb17057748 [0,1,0,0,0,0|2,0,0]=3 2811 B11R1.24 NCCNc1cccc(F)n1 Amb24072626 [0,1,0,0,0,0|3,0,0]=4 2812 B11R1.24 NCCNc1cccc(F)n1 Amb33456098 [0,1,0,0,0,0|3,0,0]=4 2813 B11R1.24 NCCNc1ccnc(Cl)c1 Amb27823717 [0,1,0,0,0,0|3,0,0]=4 2814 B11R1.24 NCCNc1cncc(Cl)c1 Amb35733489 [0,1,0,0,0,0|3,0,0]=4 2815 B11R1.24 NCCOc1cc(Cl)ccn1 Amb22236327 [0,1,0,0,0,0|3,0,0]=4 2816 B11R1.24 NCCOc1cc(F)ccn1 Amb26029612 [0,1,0,0,0,0|3,0,0]=4 2817 B11R1.24 NCCOc1cc(N)ccn1 Amb26355561 [0,1,0,0,0,0|3,0,0]=4 2818 B11R1.24 NCCOc1cccc(Br)c1 Amb10609758 [0,1,0,0,0,0|2,0,0]=3 2819 B11R1.24 NCCOc1cccc(Br)c1 Amb1111484 [0,1,0,0,0,0|2,0,0]=3 2820 B11R1.24 NCCOc1cccc(Br)n1 Amb26636283 [0,1,0,0,0,0|3,0,0]=4 2821 B11R1.24 NCCOc1cccc(Cl)c1 Amb1098576 [0,1,0,0,0,0|2,0,0]=3 2822 B11R1.24 NCCOc1cccc(Cl)c1 Amb6754200 [0,1,0,0,0,0|2,0,0]=3 2823 B11R1.24 NCCOc1cccc(Cl)n1 Amb27592136 [0,1,0,0,0,0|3,0,0]=4 2824 B11R1.24 NCCOc1cccc(F)c1 Amb1126100 [0,1,0,0,0,0|2,0,0]=3 2825 B11R1.24 NCCOc1cccc(F)c1 Amb7969602 [0,1,0,0,0,0|2,0,0]=3 2826 B11R1.24 NCCOc1cccc(N)c1 Amb18251365 [0,1,0,0,0,0|2,0,0]=3 2827 B11R1.24 NCCOc1cccc(O)c1 Amb24085157 [0,1,0,0,0,0|2,0,0]=3 2828 B11R1.24 NCCOc1cncc(Br)c1 Amb22275981 [0,1,0,0,0,0|3,0,0]=4 2829 B11R1.24 NCCOc1cncc(Br)c1 Amb22275982 [0,1,0,0,0,0|3,0,0]=4 2830 B11R1.24 NCCOc1cncc(Cl)c1 Amb27811513 [0,1,0,0,0,0|3,0,0]=4 2831 B11R1.24 NCCOc1cncc(Cl)c1 Amb33078990 [0,1,0,0,0,0|3,0,0]=4 2832 B11R1.24 NCCOc1cncc(F)c1 Amb28239867 [0,1,0,0,0,0|3,0,0]=4 2833 B11R1.24 NCCSc1cccc(Cl)c1 Amb17083052 [0,1,0,0,0,0|2,0,0]=3 2834 B11R1.24 NCCSc1cccc(O)c1 Amb27851974 [0,1,0,0,0,0|2,0,0]=3 2835 B11R1.24 NCCSc1cncc(Cl)c1 Amb28397242 [0,1,0,0,0,0|3,0,0]=4 2836 B11R1.24 NC\C=C\c1cccc(Br)c1 Amb18066633 [0,1,0,0,0,0|1,0,2]=4 2837 B11R1.24 NC\C=C\c1cccc(Cl)c1 Amb18065474 [0,1,0,0,0,0|1,0,2]=4 2838 B11R1.24 NC\C=C\c1cccc(F)c1 Amb18065349 [0,1,0,0,0,0|1,0,2]=4 2839 B11R1.24 NC\C=C\c1cccc(O)c1 Amb33474823 [0,1,0,0,0,0|1,0,2]=4 2840 B11R1.24 NNCCc1cccc(Br)c1 Amb17404394 [0,1,0,0,0,0|2,0,0]=3 2841 B11R1.24 NNCCc1cccc(Cl)c1 Amb17400340 [0,1,0,0,0,0|2,0,0]=3 2842 B11R1.24 NNCCc1cccc(F)c1 Amb32661220 [0,1,0,0,0,0|2,0,0]=3 2843 B11R1.24 NNCCc1cccc(F)c1 Amb6250670 [0,1,0,0,0,0|2,0,0]=3 2844 B11R1.24 NNCCc1cncc(Br)c1 Amb28364146 [0,1,0,0,0,0|3,0,0]=4 2845 B11R1.24 NOCCc1cc(F)ccn1 Amb33320313 [0,1,0,0,0,0|3,0,0]=4 2846 B11R1.24 NOCCc1cccc(Br)c1 Amb33450765 [0,1,0,0,0,0|2,0,0]=3 2847 B11R1.24 NOCCc1cccc(Br)n1 Amb33433119 [0,1,0,0,0,0|3,0,0]=4 2848 B11R1.24 NOCCc1cccc(Cl)c1 Amb25152729 [0,1,0,0,0,0|2,0,0]=3 2849 B11R1.24 NOCCc1cccc(Cl)n1 Amb33222384 [0,1,0,0,0,0|3,0,0]=4 2850 B11R1.24 NOCCc1cccc(F)c1 Amb22896630 [0,1,0,0,0,0|2,0,0]=3 2851 B11R1.24 NOCCc1cccc(O)c1 Amb33310970 [0,1,0,0,0,0|2,0,0]=3 2852 B11R1.24 NOCCc1cncc(Br)c1 Amb33389570 [0,1,0,0,0,0|3,0,0]=4 2853 B11R1.24 NOCCc1cncc(F)c1 Amb33196298 [0,1,0,0,0,0|3,0,0]=4 2854 B11R1.24 N\N=C\Cc1cccc(Cl)c1 Amb27163863 [0,1,0,0,0,0|2,0,1]=4 2855 B11R1.24 Nc1cc(CCCO)ccn1 Amb27598075 [0,1,0,0,0,0|1,0,0]=2 2856 B11R1.24 Nc1cc(NCCO)ccn1 Amb27406110 [0,1,0,0,0,0|2,0,0]=3 2857 B11R1.24 Nc1cc(NCCO)ncn1 Amb27862386 [0,1,0,0,0,0|3,0,0]=4 2858 B11R1.24 Nc1cccc(C#CCBr)c1 Amb27600972 [0,1,0,0,0,0|1,0,2]=4 2859 B11R1.24 Nc1cccc(C#CCF)c1 Amb28118643 [0,1,0,0,0,0|1,0,2]=4 2860 B11R1.24 Nc1cccc(C#CCO)c1 Amb22228962 [0,1,0,0,0,0|0,0,2]=3 2861 B11R1.24 Nc1cccc(CCCBr)c1 Amb27475647 [0,1,0,0,0,0|1,0,0]=2 2862 B11R1.24 Nc1cccc(CCCCl)c1 Amb17477709 [0,1,0,0,0,0|1,0,0]=2 2863 B11R1.24 Nc1cccc(CCCO)c1 Amb17477701 [0,1,0,0,0,0|0,0,0]=1 2864 B11R1.24 Nc1cccc(CCCO)n1 Amb28365425 [0,1,0,0,0,0|1,0,0]=2 2865 B11R1.24 Nc1cccc(CCCS)c1 Amb35672845 [0,1,0,0,0,0|0,1,0]=2 2866 B11R1.24 Nc1cccc(C\C=N\O)n1 Amb9782880 [0,1,0,0,0,0|2,0,1]=4 2867 B11R1.24 Nc1cccc(NCCS)c1 Amb27642458 [0,1,0,0,0,0|1,1,0]=3 2868 B11R1.24 Nc1cccc(OCCBr)c1 Amb27832160 [0,1,0,0,0,0|2,0,0]=3 2869 B11R1.24 Nc1cccc(OCCCl)c1 Amb10608112 [0,1,0,0,0,0|2,0,0]=3 2870 B11R1.24 Nc1cccc(OCCCl)c1 Amb22587140 [0,1,0,0,0,0|2,0,0]=3 2871 B11R1.24 Nc1cccc(OCCF)c1 Amb20669100 [0,1,0,0,0,0|2,0,0]=3 2872 B11R1.24 Nc1cccc(OCCO)c1 Amb2586519 [0,1,0,0,0,0|1,0,0]=2 2873 B11R1.24 Nc1cccc(OCCO)n1 Amb26552692 [0,1,0,0,0,0|2,0,0]=3 2874 B11R1.24 Nc1cccc(OCCS)c1 Amb17504035 [0,1,0,0,0,0|1,1,0]=3 2875 B11R1.24 Nc1cccc(SCCF)c1 Amb28423231 [0,1,0,0,0,0|2,0,0]=3 2876 B11R1.24 Nc1cccc(SCCO)c1 Amb18289366 [0,1,0,0,0,0|1,0,0]=2 2877 B11R1.24 Nc1ccnc(CCCO)c1 Amb26880305 [0,1,0,0,0,0|1,0,0]=2 2878 B11R1.24 Nc1ccnc(NCCO)n1 Amb26644015 [0,1,0,0,0,0|3,0,0]=4 2879 B11R1.24 Nc1ccnc(OCCO)c1 Amb18293320 [0,1,0,0,0,0|2,0,0]=3 2880 B11R1.24 Nc1cncc(NCCF)c1 Amb28127240 [0,1,0,0,0,0|3,0,0]=4 2881 B11R1.24 O=C1C=C(CCCO)C=CN1 Amb27240055 [0,1,0,0,0,0|1,0,0]=2 2882 B11R1.24 O=C1C=C(OCCO)C=NN1 Amb27206874 [0,1,0,0,0,0|3,0,0]=4 2883 B11R1.24 O=C1C=C(SCCO)N=CN1 Amb28347546 [0,1,0,0,0,0|3,0,0]=4 2884 B11R1.24 O=C1C=CC=C(C#CCO)N1 Amb27948341 [0,1,0,0,0,0|1,0,2]=4 2885 B11R1.24 O=C1C=CC[C@H](CCCO)O1 Amb27775902 [0,1,0,0,0,0|1,0,2]=4 2886 B11R1.24 O=C1C=CNC(CCCO)C1 Amb27875208 [0,1,0,0,0,0|1,0,2]=4 2887 B11R1.24 O=C1C=COC(CCCO)=C1 Amb28074818 [0,1,0,0,0,0|1,0,0]=2 2888 B11R1.24 O=C1N=C(NCCO)C=CN1 Amb25866699 [0,1,0,0,0,0|3,0,0]=4 2889 B11R1.24 O=C=NCc1cccc(Br)c1 Amb17090280 [0,1,0,0,0,0|1,0,2]=4 2890 B11R1.24 O=C=NCc1cccc(Cl)c1 Amb17090264 [0,1,0,0,0,0|1,0,2]=4 2891 B11R1.24 O=C=NCc1cccc(F)c1 Amb3939409 [0,1,0,0,0,0|1,0,2]=4 2892 B11R1.24 O=CCCC1=CC(=O)NC=C1 Amb27485952 [0,1,0,0,0,0|1,0,2]=4 2893 B11R1.24 O=CCCc1cc(F)ccn1 Amb33325519 [0,1,0,0,0,0|1,0,2]=4 2894 B11R1.24 O=CCCc1cccc(Br)c1 Amb17081695 [0,1,0,0,0,0|0,0,2]=3 2895 B11R1.24 O=CCCc1cccc(Cl)c1 Amb6306213 [0,1,0,0,0,0|0,0,2]=3 2896 B11R1.24 O=CCCc1cccc(Cl)n1 Amb24511743 [0,1,0,0,0,0|1,0,2]=4 2897 B11R1.24 O=CCCc1cccc(F)c1 Amb6306215 [0,1,0,0,0,0|0,0,2]=3 2898 B11R1.24 O=CCCc1cccc(I)c1 Amb24637998 [0,1,0,0,0,0|0,0,2]=3 2899 B11R1.24 O=CCCc1cccc(O)c1 Amb17081694 [0,1,0,0,0,0|0,0,2]=3 2900 B11R1.24 O=CCCc1ccnc(Cl)c1 Amb24619570 [0,1,0,0,0,0|1,0,2]=4 2901 B11R1.24 O=CCCc1cncc(Br)c1 Amb28348525 [0,1,0,0,0,0|1,0,2]=4 2902 B11R1.24 O=CCCc1cncc(F)c1 Amb25923216 [0,1,0,0,0,0|1,0,2]=4 2903 B11R1.24 O=CCOc1cccc(Br)c1 Amb17099951 [0,1,0,0,0,0|1,0,2]=4 2904 B11R1.24 O=CCOc1cccc(Cl)c1 Amb18806821 [0,1,0,0,0,0|1,0,2]=4 2905 B11R1.24 O=CCOc1cccc(I)c1 Amb27838178 [0,1,0,0,0,0|1,0,2]=4 2906 B11R1.24 O=CCSc1cccc(Br)c1 Amb25978639 [0,1,0,0,0,0|1,0,2]=4 2907 B11R1.24 O=CCSc1cccc(Cl)c1 Amb17082942 [0,1,0,0,0,0|1,0,2]=4 2908 B11R1.24 O=CCSc1cccc(F)c1 Amb26942694 [0,1,0,0,0,0|1,0,2]=4 2909 B11R1.24 O=CNCc1cccc(Br)c1 Amb27780723 [0,1,0,0,0,0|1,0,2]=4 2910 B11R1.24 O=CNCc1cccc(O)c1 Amb18179387 [0,1,0,0,0,0|1,0,2]=4 2911 B11R1.24 OCC#Cc1cccc(Br)c1 Amb836713 [0,1,0,0,0,0|0,0,2]=3 2912 B11R1.24 OCC#Cc1cccc(Br)n1 Amb27621640 [0,1,0,0,0,0|1,0,2]=4 2913 B11R1.24 OCC#Cc1cccc(Cl)c1 Amb836569 [0,1,0,0,0,0|0,0,2]=3 2914 B11R1.24 OCC#Cc1cccc(F)c1 Amb836624 [0,1,0,0,0,0|0,0,2]=3 2915 B11R1.24 OCC#Cc1cccc(I)c1 Amb25742450 [0,1,0,0,0,0|0,0,2]=3 2916 B11R1.24 OCC#Cc1cccc(O)c1 Amb24085233 [0,1,0,0,0,0|0,0,2]=3 2917 B11R1.24 OCCCc1cc(F)ccn1 Amb33325520 [0,1,0,0,0,0|1,0,0]=2 2918 B11R1.24 OCCCc1cccc(Br)c1 Amb17089515 [0,1,0,0,0,0|0,0,0]=1 2919 B11R1.24 OCCCc1cccc(Br)n1 Amb26354337 [0,1,0,0,0,0|1,0,0]=2 2920 B11R1.24 OCCCc1cccc(Cl)c1 Amb17089500 [0,1,0,0,0,0|0,0,0]=1 2921 B11R1.24 OCCCc1cccc(Cl)n1 Amb33222644 [0,1,0,0,0,0|1,0,0]=2 2922 B11R1.24 OCCCc1cccc(F)c1 Amb17605781 [0,1,0,0,0,0|0,0,0]=1 2923 B11R1.24 OCCCc1cccc(F)n1 Amb24546387 [0,1,0,0,0,0|1,0,0]=2 2924 B11R1.24 OCCCc1cccc(O)c1 Amb17089514 [0,1,0,0,0,0|0,0,0]=1 2925 B11R1.24 OCCCc1ccnc(Cl)c1 Amb26943153 [0,1,0,0,0,0|1,0,0]=2 2926 B11R1.24 OCCCc1cncc(Br)c1 Amb26018418 [0,1,0,0,0,0|1,0,0]=2 2927 B11R1.24 OCCCc1cncc(Cl)c1 Amb33213703 [0,1,0,0,0,0|1,0,0]=2 2928 B11R1.24 OCCCc1cncc(F)c1 Amb27860196 [0,1,0,0,0,0|1,0,0]=2 2929 B11R1.24 OCCNc1cc(Br)ncn1 Amb27408723 [0,1,0,0,0,0|3,0,0]=4 2930 B11R1.24 OCCNc1cc(Cl)ncn1 Amb679501 [0,1,0,0,0,0|3,0,0]=4 2931 B11R1.24 OCCNc1cc(I)ccn1 Amb27963022 [0,1,0,0,0,0|2,0,0]=3 2932 B11R1.24 OCCNc1cccc(Br)c1 Amb33526943 [0,1,0,0,0,0|1,0,0]=2 2933 B11R1.24 OCCNc1cccc(Br)n1 Amb28201319 [0,1,0,0,0,0|2,0,0]=3 2934 B11R1.24 OCCNc1cccc(Cl)c1 Amb6711876 [0,1,0,0,0,0|1,0,0]=2 2935 B11R1.24 OCCNc1cccc(Cl)n1 Amb21958722 [0,1,0,0,0,0|2,0,0]=3 2936 B11R1.24 OCCNc1cccc(F)c1 Amb6711934 [0,1,0,0,0,0|1,0,0]=2 2937 B11R1.24 OCCNc1cccc(F)n1 Amb18973531 [0,1,0,0,0,0|2,0,0]=3 2938 B11R1.24 OCCNc1ccnc(F)n1 Amb35677716 [0,1,0,0,0,0|3,0,0]=4 2939 B11R1.24 OCCNc1cncc(Br)c1 Amb23744553 [0,1,0,0,0,0|2,0,0]=3 2940 B11R1.24 OCCNc1cncc(Cl)c1 Amb35706904 [0,1,0,0,0,0|2,0,0]=3 2941 B11R1.24 OCCNc1cncc(Cl)n1 Amb18292859 [0,1,0,0,0,0|3,0,0]=4 2942 B11R1.24 OCCNc1cncc(F)n1 Amb29861539 [0,1,0,0,0,0|3,0,0]=4 2943 B11R1.24 OCCOc1cccc(Br)c1 Amb33527712 [0,1,0,0,0,0|1,0,0]=2 2944 B11R1.24 OCCOc1cccc(Br)n1 Amb28043278 [0,1,0,0,0,0|2,0,0]=3 2945 B11R1.24 OCCOc1cccc(Cl)c1 Amb33531543 [0,1,0,0,0,0|1,0,0]=2 2946 B11R1.24 OCCOc1cccc(Cl)n1 Amb26066814 [0,1,0,0,0,0|2,0,0]=3 2947 B11R1.24 OCCOc1cccc(F)c1 Amb9370687 [0,1,0,0,0,0|1,0,0]=2 2948 B11R1.24 OCCOc1cccc(I)c1 Amb9370547 [0,1,0,0,0,0|1,0,0]=2 2949 B11R1.24 OCCOc1ccnc(Cl)c1 Amb22059320 [0,1,0,0,0,0|2,0,0]=3 2950 B11R1.24 OCCOc1ccnc(Cl)n1 Amb18804288 [0,1,0,0,0,0|3,0,0]=4 2951 B11R1.24 OCCOc1ccnc(F)n1 Amb35658112 [0,1,0,0,0,0|3,0,0]=4 2952 B11R1.24 OCCOc1cncc(Br)c1 Amb2695312 [0,1,0,0,0,0|2,0,0]=3 2953 B11R1.24 OCCOc1cncc(Cl)c1 Amb25151315 [0,1,0,0,0,0|2,0,0]=3 2954 B11R1.24 OCCOc1cncc(Cl)n1 Amb6681174 [0,1,0,0,0,0|3,0,0]=4 2955 B11R1.24 OCCOc1cncc(F)n1 Amb32666604 [0,1,0,0,0,0|3,0,0]=4 2956 B11R1.24 OCCSc1cc(Br)ncn1 Amb27806522 [0,1,0,0,0,0|3,0,0]=4 2957 B11R1.24 OCCSc1cccc(Cl)c1 Amb2686421 [0,1,0,0,0,0|1,0,0]=2 2958 B11R1.24 OCCSc1cccc(F)c1 Amb2688393 [0,1,0,0,0,0|1,0,0]=2 2959 B11R1.24 OCCSc1cccc(S)c1 Amb27763842 [0,1,0,0,0,0|1,0,0]=2 2960 B11R1.24 OCCSc1ccnc(Cl)c1 Amb27831915 [0,1,0,0,0,0|2,0,0]=3 2961 B11R1.24 OCCSc1ccnc(F)n1 Amb35610854 [0,1,0,0,0,0|3,0,0]=4 2962 B11R1.24 OCCSc1cncc(Cl)n1 Amb9481975 [0,1,0,0,0,0|3,0,0]=4 2963 B11R1.24 OCCSc1cncc(F)n1 Amb35712100 [0,1,0,0,0,0|3,0,0]=4 2964 B11R1.24 OC\C=C\c1cccc(Br)c1 Amb19516160 [0,1,0,0,0,0|0,0,2]=3 2965 B11R1.24 OC\C=C\c1cccc(Br)n1 Amb20248560 [0,1,0,0,0,0|1,0,2]=4 2966 B11R1.24 OC\C=C\c1cccc(Cl)c1 Amb23442783 [0,1,0,0,0,0|0,0,2]=3 2967 B11R1.24 OC\C=C\c1cccc(F)c1 Amb23442888 [0,1,0,0,0,0|0,0,2]=3 2968 B11R1.24 OC\C=C\c1cccc(I)c1 Amb28322502 [0,1,0,0,0,0|0,0,2]=3 2969 B11R1.24 OC\C=C\c1cccc(O)c1 Amb33136411 [0,1,0,0,0,0|0,0,2]=3 2970 B11R1.24 OC\C=C\c1cncc(Br)c1 Amb31184380 [0,1,0,0,0,0|1,0,2]=4 2971 B11R1.24 OC\C=C\c1cncc(F)c1 Amb33196270 [0,1,0,0,0,0|1,0,2]=4 2972 B11R1.24 Oc1cccc(C#CCBr)c1 Amb24471318 [0,1,0,0,0,0|1,0,2]=4 2973 B11R1.24 Oc1cccc(C#CCCl)c1 Amb25891605 [0,1,0,0,0,0|1,0,2]=4 2974 B11R1.24 Oc1cccc(C#CCF)c1 Amb24427468 [0,1,0,0,0,0|1,0,2]=4 2975 B11R1.24 Oc1cccc(C#CCI)c1 Amb25793030 [0,1,0,0,0,0|1,0,2]=4 2976 B11R1.24 Oc1cccc(CCCBr)c1 Amb18657769 [0,1,0,0,0,0|1,0,0]=2 2977 B11R1.24 Oc1cccc(CCCCl)c1 Amb17477723 [0,1,0,0,0,0|1,0,0]=2 2978 B11R1.24 Oc1cccc(CCCS)c1 Amb33310794 [0,1,0,0,0,0|0,1,0]=2 2979 B11R1.24 Oc1cccc(OCCBr)c1 Amb27391138 [0,1,0,0,0,0|2,0,0]=3 2980 B11R1.24 Oc1cccc(OCCCl)c1 Amb27461339 [0,1,0,0,0,0|2,0,0]=3 2981 B11R1.24 S=C=NCc1cccc(Br)c1 Amb26512950 [0,1,0,0,0,0|1,1,1]=4 2982 B11R1.24 S=C=NCc1cccc(Cl)c1 Amb2685779 [0,1,0,0,0,0|1,1,1]=4 2983 B11R1.24 S=C=NCc1cccc(I)c1 Amb27830018 [0,1,0,0,0,0|1,1,1]=4 2984 B11R1.24 SCCCc1cccc(Br)c1 Amb17407561 [0,1,0,0,0,0|0,1,0]=2 2985 B11R1.24 SCCCc1cccc(Br)n1 Amb33433835 [0,1,0,0,0,0|1,1,0]=3 2986 B11R1.24 SCCCc1cccc(Cl)c1 Amb17401096 [0,1,0,0,0,0|0,1,0]=2 2987 B11R1.24 SCCCc1cccc(Cl)n1 Amb33222717 [0,1,0,0,0,0|1,1,0]=3 2988 B11R1.24 SCCCc1cncc(Br)c1 Amb33389384 [0,1,0,0,0,0|1,1,0]=3 2989 B11R1.24 SCCOc1cccc(Br)c1 Amb6255895 [0,1,0,0,0,0|1,1,0]=3 2990 B11R1.24 SCCOc1cccc(Cl)c1 Amb6255391 [0,1,0,0,0,0|1,1,0]=3 2991 B11R1.24 SCCOc1cncc(Br)c1 Amb27753472 [0,1,0,0,0,0|2,1,0]=4 2992 B11R1.24 SCCSc1cccc(Cl)c1 Amb28398903 [0,1,0,0,0,0|1,1,0]=3 2993 B11R1.24 Sc1cccc(CCCBr)c1 Amb27192455 [0,1,0,0,0,0|1,0,0]=2 2994 B11R1.24 Sc1cccc(CCCCl)c1 Amb28196581 [0,1,0,0,0,0|1,0,0]=2 2995 B11R1.24 [C-]#[N+]CCc1cc(C)ccn1 Amb33318137 [0,1,0,0,0,0|3,0,0]=4 2996 B11R1.24 [C-]#[N+]CCc1cc(F)ccn1 Amb33414562 [0,1,0,0,0,0|3,0,0]=4 2997 B11R1.24 [C-]#[N+]CCc1cccc(Br)c1 Amb2685408 [0,1,0,0,0,0|2,0,0]=3 2998 B11R1.24 [C-]#[N+]CCc1cccc(Br)n1 Amb33433114 [0,1,0,0,0,0|3,0,0]=4 2999 B11R1.24 [C-]#[N+]CCc1cccc(C)c1 Amb2689593 [0,1,0,0,0,0|2,0,0]=3 3000 B11R1.24 [C-]#[N+]CCc1cccc(C)n1 Amb33199967 [0,1,0,0,0,0|3,0,0]=4 3001 B11R1.24 [C-]#[N+]CCc1cccc(Cl)c1 Amb2686345 [0,1,0,0,0,0|2,0,0]=3 3002 B11R1.24 [C-]#[N+]CCc1cccc(Cl)n1 Amb33222325 [0,1,0,0,0,0|3,0,0]=4 3003 B11R1.24 [C-]#[N+]CCc1cccc(F)c1 Amb2688286 [0,1,0,0,0,0|2,0,0]=3 3004 B11R1.24 [C-]#[N+]CCc1ccnc(C)c1 Amb33268185 [0,1,0,0,0,0|3,0,0]=4 3005 B11R1.24 [C-]#[N+]CCc1cncc(Br)c1 Amb33389134 [0,1,0,0,0,0|3,0,0]=4 3006 B11R1.24 [C-]#[N+]CCc1cncc(C)c1 Amb33318299 [0,1,0,0,0,0|3,0,0]=4 3007 B11R1.24 [C-]#[N+]CCc1cncc(F)c1 Amb33196657 [0,1,0,0,0,0|3,0,0]=4 3008 B11R1.24 [N-]=[N+]=NCc1cccc(Br)c1 Amb8938172 [0,1,0,0,0,0|3,0,0]=4 3009 B11R1.24 [N-]=[N+]=NCc1cccc(Cl)c1 Amb8938155 [0,1,0,0,0,0|3,0,0]=4 3010 B11R1.24 [N-]=[N+]=NCc1cccc(F)c1 Amb32652782 [0,1,0,0,0,0|3,0,0]=4 3011 B11R1.24 [N-]=[N+]=NCc1cccc(F)c1 Amb8938144 [0,1,0,0,0,0|3,0,0]=4 3012 B11R1.24 [N-]=[N+]=NCc1cccc(N)c1 Amb30032133 [0,1,0,0,0,0|3,0,0]=4 3013 B11R1.24 [N-]=[N+]=NCc1cccc(O)c1 Amb24447426 [0,1,0,0,0,0|3,0,0]=4 3014 B11R1.28 BrCCCCc1ccccc1 Amb2685395 [0,1,0,0,0,0|1,0,0]=2 3015 B11R1.28 BrCCCOc1ccccc1 Amb1154134 [0,1,0,0,0,0|1,0,0]=2 3016 B11R1.28 BrCCCOc1cccnc1 Amb22900113 [0,1,0,0,0,0|2,0,0]=3 3017 B11R1.28 BrCCCSc1ccncc1 Amb27671139 [0,1,0,0,0,0|2,0,0]=3 3018 B11R1.28 BrCCCSc1cnccn1 Amb27269181 [0,1,0,0,0,0|3,0,0]=4 3019 B11R1.28 BrCCNCc1ccccc1 Amb18131678 [0,1,0,0,0,0|1,0,0]=2 3020 B11R1.28 BrCCOCc1ccccc1 Amb3941567 [0,1,0,0,0,0|1,0,0]=2 3021 B11R1.28 BrCCSCc1ccccc1 Amb9305028 [0,1,0,0,0,0|1,0,0]=2 3022 B11R1.28 BrCC\C=C\c1ccccc1 Amb17140564 [0,1,0,0,0,0|1,0,1]=3 3023 B11R1.28 Br[Mg]CCCc1ccccc1 Amb6300511 [0,1,0,0,0,0|1,0,0]=2 3024 B11R1.28 C#CCC#Cc1ccccc1 Amb16233222 [0,1,0,0,0,0|1,0,2]=4 3025 B11R1.28 C#CCCCc1ccccc1 Amb10071067 [0,1,0,0,0,0|1,0,0]=2 3026 B11R1.28 C#CCCOc1ccccc1 Amb25885800 [0,1,0,0,0,0|1,0,1]=3 3027 B11R1.28 C#CCNCc1ccccc1 Amb21972217 [0,1,0,0,0,0|1,0,1]=3 3028 B11R1.28 C#CCNCc1ccccc1 Amb4303989 [0,1,0,0,0,0|1,0,1]=3 3029 B11R1.28 C#CCNCc1ccccn1 Amb6683744 [0,1,0,0,0,0|2,0,1]=4 3030 B11R1.28 C#CCNCc1cccnc1 Amb35747649 [0,1,0,0,0,0|2,0,1]=4 3031 B11R1.28 C#CCNCc1cccnc1 Amb5262797 [0,1,0,0,0,0|2,0,1]=4 3032 B11R1.28 C#CCNCc1ccncc1 Amb6683582 [0,1,0,0,0,0|2,0,1]=4 3033 B11R1.28 C#CCOCc1ccccc1 Amb8517297 [0,1,0,0,0,0|1,0,1]=3 3034 B11R1.28 C#CCOCc1ccccn1 Amb24101369 [0,1,0,0,0,0|2,0,1]=4 3035 B11R1.28 C#CCSCc1ccccn1 Amb27595394 [0,1,0,0,0,0|2,0,1]=4 3036 B11R1.28 C#CC\C=C\c1ccccc1 Amb33080774 [0,1,0,0,0,0|1,0,2]=4 3037 B11R1.28 C#CC\N=C\c1ccccc1 Amb17609064 [0,1,0,0,0,0|1,0,2]=4 3038 B11R1.28 C=C=CCNc1ccccc1 Amb27482470 [0,1,0,0,0,0|1,0,2]=4 3039 B11R1.28 C=CCC#Cc1ccccc1 Amb10571530 [0,1,0,0,0,0|1,0,2]=4 3040 B11R1.28 C=CCCNc1ccccc1 Amb27495374 [0,1,0,0,0,0|1,0,1]=3 3041 B11R1.28 C=CCCNc1ccccn1 Amb28318095 [0,1,0,0,0,0|2,0,1]=4 3042 B11R1.28 C=CCCOc1ccccc1 Amb27271699 [0,1,0,0,0,0|1,0,1]=3 3043 B11R1.28 C=CCCOc1ccccn1 Amb27270190 [0,1,0,0,0,0|2,0,1]=4 3044 B11R1.28 C=CCCSc1ccccc1 Amb27270191 [0,1,0,0,0,0|1,0,1]=3 3045 B11R1.28 C=CCCSc1ccccn1 Amb27270192 [0,1,0,0,0,0|2,0,1]=4 3046 B11R1.28 C=CCCSc1ccncc1 Amb27270198 [0,1,0,0,0,0|2,0,1]=4 3047 B11R1.28 C=CCNCc1ccccc1 Amb6683954 [0,1,0,0,0,0|1,0,1]=3 3048 B11R1.28 C=CCNCc1ccccc1 Amb6864764 [0,1,0,0,0,0|1,0,1]=3 3049 B11R1.28 C=CCNCc1ccccn1 Amb19890291 [0,1,0,0,0,0|2,0,1]=4 3050 B11R1.28 C=CCNCc1ccccn1 Amb19891173 [0,1,0,0,0,0|2,0,1]=4 3051 B11R1.28 C=CCNCc1ccccn1 Amb5262452 [0,1,0,0,0,0|2,0,1]=4 3052 B11R1.28 C=CCNCc1cccnc1 Amb19890377 [0,1,0,0,0,0|2,0,1]=4 3053 B11R1.28 C=CCNCc1cccnc1 Amb19891174 [0,1,0,0,0,0|2,0,1]=4 3054 B11R1.28 C=CCNCc1cccnc1 Amb6683809 [0,1,0,0,0,0|2,0,1]=4 3055 B11R1.28 C=CCNCc1ccncc1 Amb19890311 [0,1,0,0,0,0|2,0,1]=4 3056 B11R1.28 C=CCNCc1ccncc1 Amb19890811 [0,1,0,0,0,0|2,0,1]=4 3057 B11R1.28 C=CCNCc1ccncc1 Amb6683814 [0,1,0,0,0,0|2,0,1]=4 3058 B11R1.28 C=CCOCc1ccccc1 Amb17933917 [0,1,0,0,0,0|1,0,1]=3 3059 B11R1.28 C=CCO[BrH]c1ccccc1 Amb27001649 [0,1,0,0,0,0|2,0,1]=4 3060 B11R1.28 C=CC\C=C\c1ccccc1 Amb8393997 [0,1,0,0,0,0|1,0,2]=4 3061 B11R1.28 C=CNOCc1ccccc1 Amb27791078 [0,1,0,0,0,0|2,0,1]=4 3062 B11R1.28 CC#CCOc1ccccc1 Amb25119404 [0,1,0,0,0,0|1,0,2]=4 3063 B11R1.28 CCCC#Cc1ccccc1 Amb2721608 [0,1,0,0,0,0|1,0,1]=3 3064 B11R1.28 CCCCC[n+]1ccccc1 Amb24754723 [0,1,0,0,0,0|2,0,0]=3 3065 B11R1.28 CCCCCc1ccccc1 Amb2722921 [0,1,0,0,0,0|1,0,0]=2 3066 B11R1.28 CCCCCc1ccccn1 Amb533507 [0,1,0,0,0,0|2,0,0]=3 3067 B11R1.28 CCCCCc1cccnc1 Amb17672949 [0,1,0,0,0,0|2,0,0]=3 3068 B11R1.28 CCCCCc1ccncc1 Amb17672950 [0,1,0,0,0,0|2,0,0]=3 3069 B11R1.28 CCCCCc1cnccn1 Amb9814232 [0,1,0,0,0,0|3,0,0]=4 3070 B11R1.28 CCCCNc1ccccc1 Amb3940154 [0,1,0,0,0,0|1,0,0]=2 3071 B11R1.28 CCCCNc1ccccn1 Amb6633041 [0,1,0,0,0,0|2,0,0]=3 3072 B11R1.28 CCCCNc1cccnc1 Amb6686633 [0,1,0,0,0,0|2,0,0]=3 3073 B11R1.28 CCCCNc1ccncc1 Amb6648934 [0,1,0,0,0,0|2,0,0]=3 3074 B11R1.28 CCCCNc1cncnc1 Amb27490392 [0,1,0,0,0,0|3,0,0]=4 3075 B11R1.28 CCCCNc1ncccn1 Amb6631048 [0,1,0,0,0,0|3,0,0]=4 3076 B11R1.28 CCCCOc1ccccc1 Amb2685665 [0,1,0,0,0,0|1,0,0]=2 3077 B11R1.28 CCCCOc1ccccn1 Amb4034584 [0,1,0,0,0,0|2,0,0]=3 3078 B11R1.28 CCCCOc1cccnc1 Amb25382997 [0,1,0,0,0,0|2,0,0]=3 3079 B11R1.28 CCCCSc1ccccc1 Amb3836105 [0,1,0,0,0,0|1,0,0]=2 3080 B11R1.28 CCCNCc1ccccc1 Amb1105937 [0,1,0,0,0,0|1,0,0]=2 3081 B11R1.28 CCCNCc1ccccc1 Amb6537999 [0,1,0,0,0,0|1,0,0]=2 3082 B11R1.28 CCCNCc1ccccn1 Amb19890306 [0,1,0,0,0,0|2,0,0]=3 3083 B11R1.28 CCCNCc1ccccn1 Amb19890563 [0,1,0,0,0,0|2,0,0]=3 3084 B11R1.28 CCCNCc1ccccn1 Amb2592504 [0,1,0,0,0,0|2,0,0]=3 3085 B11R1.28 CCCNCc1cccnc1 Amb19890575 [0,1,0,0,0,0|2,0,0]=3 3086 B11R1.28 CCCNCc1cccnc1 Amb6864723 [0,1,0,0,0,0|2,0,0]=3 3087 B11R1.28 CCCNCc1cccnc1 Amb838293 [0,1,0,0,0,0|2,0,0]=3 3088 B11R1.28 CCCNCc1cccnn1 Amb27271274 [0,1,0,0,0,0|3,0,0]=4 3089 B11R1.28 CCCNCc1ccncc1 Amb19890591 [0,1,0,0,0,0|2,0,0]=3 3090 B11R1.28 CCCNCc1ccncc1 Amb6864722 [0,1,0,0,0,0|2,0,0]=3 3091 B11R1.28 CCCNCc1ccncc1 Amb837657 [0,1,0,0,0,0|2,0,0]=3 3092 B11R1.28 CCCNCc1ccncn1 Amb18314599 [0,1,0,0,0,0|3,0,0]=4 3093 B11R1.28 CCCNCc1cnccn1 Amb8853764 [0,1,0,0,0,0|3,0,0]=4 3094 B11R1.28 CCCNCc1cncnc1 Amb18313855 [0,1,0,0,0,0|3,0,0]=4 3095 B11R1.28 CCCSCc1ccccc1 Amb27000631 [0,1,0,0,0,0|1,0,0]=2 3096 B11R1.28 CCCSCc1ncccn1 Amb27270164 [0,1,0,0,0,0|3,0,0]=4 3097 B11R1.28 CCC\C=C\c1ccccc1 Amb4017967 [0,1,0,0,0,0|1,0,1]=3 3098 B11R1.28 CCC\C=N\c1ccccc1 Amb16231172 [0,1,0,0,0,0|1,0,1]=3 3099 B11R1.28 CCC\N=C\c1ccccc1 Amb4605889 [0,1,0,0,0,0|1,0,1]=3 3100 B11R1.28 CCC\N=C\c1cccnc1 Amb26446590 [0,1,0,0,0,0|2,0,1]=4 3101 B11R1.28 CCNCCc1ccccc1 Amb33551205 [0,1,0,0,0,0|1,0,0]=2 3102 B11R1.28 CCNCCc1ccccc1 Amb6244873 [0,1,0,0,0,0|1,0,0]=2 3103 B11R1.28 CCNCCc1ccccn1 Amb33527538 [0,1,0,0,0,0|2,0,0]=3 3104 B11R1.28 CCNCCc1ccncc1 Amb2592520 [0,1,0,0,0,0|2,0,0]=3 3105 B11R1.28 CCNCCc1ccncn1 Amb27670958 [0,1,0,0,0,0|3,0,0]=4 3106 B11R1.28 CCNCCc1ncccn1 Amb19028710 [0,1,0,0,0,0|3,0,0]=4 3107 B11R1.28 CCNOCc1ccccc1 Amb25923077 [0,1,0,0,0,0|2,0,0]=3 3108 B11R1.28 CCOCCc1ccccc1 Amb4035236 [0,1,0,0,0,0|1,0,0]=2 3109 B11R1.28 CCOCCc1ccccn1 Amb2722907 [0,1,0,0,0,0|2,0,0]=3 3110 B11R1.28 CCOCOc1ccccc1 Amb28388170 [0,1,0,0,0,0|2,0,0]=3 3111 B11R1.28 CCONCc1ccccc1 Amb25151184 [0,1,0,0,0,0|2,0,0]=3 3112 B11R1.28 CCONCc1ccccn1 Amb27987586 [0,1,0,0,0,0|3,0,0]=4 3113 B11R1.28 CCONCc1cccnc1 Amb27987598 [0,1,0,0,0,0|3,0,0]=4 3114 B11R1.28 CCONCc1ccncc1 Amb27987579 [0,1,0,0,0,0|3,0,0]=4 3115 B11R1.28 CCO\C=C\c1ccccc1 Amb4020955 [0,1,0,0,0,0|1,0,2]=4 3116 B11R1.28 CCO\C=N\c1ccccc1 Amb9786981 [0,1,0,0,0,0|2,0,1]=4 3117 B11R1.28 CCSCCc1ccccn1 Amb27988878 [0,1,0,0,0,0|2,0,0]=3 3118 B11R1.28 CCSCCc1cccnc1 Amb27988879 [0,1,0,0,0,0|2,0,0]=3 3119 B11R1.28 CCSCCc1ccncc1 Amb27988880 [0,1,0,0,0,0|2,0,0]=3 3120 B11R1.28 CCSCSc1ccccn1 Amb27272002 [0,1,0,0,0,0|3,0,0]=4 3121 B11R1.28 CC\C=C\Cc1ccncc1 Amb27230808 [0,1,0,0,0,0|2,0,1]=4 3122 B11R1.28 CC\C=N\Nc1ccccc1 Amb27258240 [0,1,0,0,0,0|2,0,1]=4 3123 B11R1.28 CNCCCc1ccccc1 Amb21954280 [0,1,0,0,0,0|1,0,0]=2 3124 B11R1.28 CNCCCc1ccccc1 Amb2721795 [0,1,0,0,0,0|1,0,0]=2 3125 B11R1.28 CNCCCc1ccccn1 Amb18312462 [0,1,0,0,0,0|2,0,0]=3 3126 B11R1.28 CNCCNc1ccccc1 Amb6825621 [0,1,0,0,0,0|2,0,0]=3 3127 B11R1.28 CNCCNc1ccccn1 Amb18313466 [0,1,0,0,0,0|3,0,0]=4 3128 B11R1.28 CNCCNc1ccccn1 Amb32757639 [0,1,0,0,0,0|3,0,0]=4 3129 B11R1.28 CNCCOc1ccccc1 Amb1105525 [0,1,0,0,0,0|2,0,0]=3 3130 B11R1.28 CNCCOc1ccccc1 Amb2691365 [0,1,0,0,0,0|2,0,0]=3 3131 B11R1.28 CNCCSc1ccccc1 Amb10608735 [0,1,0,0,0,0|2,0,0]=3 3132 B11R1.28 CNCCSc1ccccc1 Amb17622507 [0,1,0,0,0,0|2,0,0]=3 3133 B11R1.28 CNCCSc1ccccn1 Amb19024669 [0,1,0,0,0,0|3,0,0]=4 3134 B11R1.28 CNCCSc1ccccn1 Amb32662293 [0,1,0,0,0,0|3,0,0]=4 3135 B11R1.28 CNCCSc1ccncc1 Amb27671140 [0,1,0,0,0,0|3,0,0]=4 3136 B11R1.28 CNC\C=C\c1ccccc1 Amb2114273 [0,1,0,0,0,0|1,0,2]=4 3137 B11R1.28 COCC#Cc1ccccc1 Amb25308232 [0,1,0,0,0,0|0,0,2]=3 3138 B11R1.28 COCCCc1ccncn1 Amb23453461 [0,1,0,0,0,0|2,0,0]=3 3139 B11R1.28 COCCNc1ccccc1 Amb596066 [0,1,0,0,0,0|1,0,0]=2 3140 B11R1.28 COCCNc1cccnc1 Amb18268638 [0,1,0,0,0,0|2,0,0]=3 3141 B11R1.28 COCCNc1cccnn1 Amb19023323 [0,1,0,0,0,0|3,0,0]=4 3142 B11R1.28 COCCNc1ccncc1 Amb6632784 [0,1,0,0,0,0|2,0,0]=3 3143 B11R1.28 COCCNc1ccncn1 Amb18305870 [0,1,0,0,0,0|3,0,0]=4 3144 B11R1.28 COCCOc1ccccc1 Amb4018811 [0,1,0,0,0,0|1,0,0]=2 3145 B11R1.28 COCCOc1ccncn1 Amb26083446 [0,1,0,0,0,0|3,0,0]=4 3146 B11R1.28 COCCSc1ccccn1 Amb17760116 [0,1,0,0,0,0|2,0,0]=3 3147 B11R1.28 COCNCc1ccccc1 Amb25053350 [0,1,0,0,0,0|1,0,0]=2 3148 B11R1.28 CONCCc1cccnc1 Amb27987592 [0,1,0,0,0,0|2,0,0]=3 3149 B11R1.28 CONCCc1ccncc1 Amb27987581 [0,1,0,0,0,0|2,0,0]=3 3150 B11R1.28 CO\C=C/Oc1ccccc1 Amb24069136 [0,1,0,0,0,0|1,0,2]=4 3151 B11R1.28 CSCCCc1ccccc1 Amb25383748 [0,1,0,0,0,0|0,1,0]=2 3152 B11R1.28 CSCCNc1ccccc1 Amb17307504 [0,1,0,0,0,0|1,1,0]=3 3153 B11R1.28 CSCCOc1ccccc1 Amb4020915 [0,1,0,0,0,0|1,1,0]=3 3154 B11R1.28 CSCCOc1ccccn1 Amb27988044 [0,1,0,0,0,0|2,1,0]=4 3155 B11R1.28 CSCCOc1cccnc1 Amb27492324 [0,1,0,0,0,0|2,1,0]=4 3156 B11R1.28 CSCCOc1ccncc1 Amb28387285 [0,1,0,0,0,0|2,1,0]=4 3157 B11R1.28 CSCCSc1ccccn1 Amb27988049 [0,1,0,0,0,0|2,1,0]=4 3158 B11R1.28 CSCCSc1ccncc1 Amb27988052 [0,1,0,0,0,0|2,1,0]=4 3159 B11R1.28 CSCNCc1ccccc1 Amb26414504 [0,1,0,0,0,0|1,1,0]=3 3160 B11R1.28 CSC\C=C\c1ccccc1 Amb27261145 [0,1,0,0,0,0|0,1,2]=4 3161 B11R1.28 C\C=C\CCc1ccccc1 Amb17940149 [0,1,0,0,0,0|1,0,1]=3 3162 B11R1.28 C\C=C\CCc1ccncc1 Amb25830692 [0,1,0,0,0,0|2,0,1]=4 3163 B11R1.28 C\C=C\CNc1ccccc1 Amb4016349 [0,1,0,0,0,0|1,0,2]=4 3164 B11R1.28 C\C=C\COc1ccccc1 Amb4036065 [0,1,0,0,0,0|1,0,2]=4 3165 B11R1.28 ClCC#CCc1ccccc1 Amb24453719 [0,1,0,0,0,0|1,0,1]=3 3166 B11R1.28 ClCC#CCc1cccnc1 Amb28067492 [0,1,0,0,0,0|2,0,1]=4 3167 B11R1.28 ClCCC#Cc1ccccn1 Amb25073108 [0,1,0,0,0,0|2,0,1]=4 3168 B11R1.28 ClCCC#Cc1cccnc1 Amb18792718 [0,1,0,0,0,0|2,0,1]=4 3169 B11R1.28 ClCCC#Cc1ccncc1 Amb27492908 [0,1,0,0,0,0|2,0,1]=4 3170 B11R1.28 ClCCCCc1ccccc1 Amb3940707 [0,1,0,0,0,0|1,0,0]=2 3171 B11R1.28 ClCCCCc1ccncc1 Amb20622009 [0,1,0,0,0,0|2,0,0]=3 3172 B11R1.28 ClCCCCc1cnccn1 Amb27989999 [0,1,0,0,0,0|3,0,0]=4 3173 B11R1.28 ClCCCOc1ccccc1 Amb1128627 [0,1,0,0,0,0|1,0,0]=2 3174 B11R1.28 ClCCCOc1cccnc1 Amb27266776 [0,1,0,0,0,0|2,0,0]=3 3175 B11R1.28 ClCCCOc1ccncc1 Amb27671643 [0,1,0,0,0,0|2,0,0]=3 3176 B11R1.28 ClCCCSc1ccccc1 Amb1132759 [0,1,0,0,0,0|1,0,0]=2 3177 B11R1.28 ClCCCSc1ccccn1 Amb9305059 [0,1,0,0,0,0|2,0,0]=3 3178 B11R1.28 ClCCCSc1cccnn1 Amb27271626 [0,1,0,0,0,0|3,0,0]=4 3179 B11R1.28 ClCCCSc1cnccn1 Amb27269180 [0,1,0,0,0,0|3,0,0]=4 3180 B11R1.28 ClCCNCc1ccccc1 Amb2880633 [0,1,0,0,0,0|1,0,0]=2 3181 B11R1.28 ClCCNCc1ccccc1 Amb4323279 [0,1,0,0,0,0|1,0,0]=2 3182 B11R1.28 ClCCNCc1ccccn1 Amb17334832 [0,1,0,0,0,0|2,0,0]=3 3183 B11R1.28 ClCCNCc1cccnc1 Amb17334833 [0,1,0,0,0,0|2,0,0]=3 3184 B11R1.28 ClCCNCc1ccncc1 Amb17334834 [0,1,0,0,0,0|2,0,0]=3 3185 B11R1.28 ClCCOCc1ccccc1 Amb8391048 [0,1,0,0,0,0|1,0,0]=2 3186 B11R1.28 ClCCSCc1ccccc1 Amb9270911 [0,1,0,0,0,0|1,0,0]=2 3187 B11R1.28 ClCCSCc1ccccn1 Amb27492364 [0,1,0,0,0,0|2,0,0]=3 3188 B11R1.28 ClCCSCc1cccnc1 Amb27492362 [0,1,0,0,0,0|2,0,0]=3 3189 B11R1.28 ClCCSCc1ccncc1 Amb27492347 [0,1,0,0,0,0|2,0,0]=3 3190 B11R1.28 ClCCSCc1ncccn1 Amb27492359 [0,1,0,0,0,0|3,0,0]=4 3191 B11R1.28 ClCC\C=C\c1ccccc1 Amb17232628 [0,1,0,0,0,0|1,0,1]=3 3192 B11R1.28 ClCC\C=C\c1cccnc1 Amb28367181 [0,1,0,0,0,0|2,0,1]=4 3193 B11R1.28 ClCO\N=C\c1ccccc1 Amb25838175 [0,1,0,0,0,0|2,0,1]=4 3194 B11R1.28 ClC\C=C\Sc1ccccc1 Amb27452187 [0,1,0,0,0,0|1,0,2]=4 3195 B11R1.28 ClC\C=N\Cc1ccccc1 Amb26887419 [0,1,0,0,0,0|1,0,1]=3 3196 B11R1.28 Cl\C=C\CCc1ccccc1 Amb8392473 [0,1,0,0,0,0|1,0,1]=3 3197 B11R1.28 Cl\C=C\COc1ccccc1 Amb27668260 [0,1,0,0,0,0|1,0,2]=4 3198 B11R1.28 FCCCNc1ccncc1 Amb27448183 [0,1,0,0,0,0|2,0,0]=3 3199 B11R1.28 FCCCNc1cnccn1 Amb27974973 [0,1,0,0,0,0|3,0,0]=4 3200 B11R1.28 FCCCNc1ncccn1 Amb28383528 [0,1,0,0,0,0|3,0,0]=4 3201 B11R1.28 FCCCOc1ccncc1 Amb28387256 [0,1,0,0,0,0|2,0,0]=3 3202 B11R1.28 FCCNCc1ccccc1 Amb24611358 [0,1,0,0,0,0|1,0,0]=2 3203 B11R1.28 FCCNCc1cccnn1 Amb27671493 [0,1,0,0,0,0|3,0,0]=4 3204 B11R1.28 FCCNCc1ccncn1 Amb27273271 [0,1,0,0,0,0|3,0,0]=4 3205 B11R1.28 FCCSCc1ccccc1 Amb27271863 [0,1,0,0,0,0|1,0,0]=2 3206 B11R1.28 IC#CCOc1ccccc1 Amb27640774 [0,1,0,0,0,0|1,0,2]=4 3207 B11R1.28 ICCCCc1ccccc1 Amb25380384 [0,1,0,0,0,0|1,0,0]=2 3208 B11R1.28 ICCCOc1ccccc1 Amb27271705 [0,1,0,0,0,0|1,0,0]=2 3209 B11R1.28 ICCOCc1ccccc1 Amb16191915 [0,1,0,0,0,0|1,0,0]=2 3210 B11R1.28 ICC\C=C\c1ccccc1 Amb27261633 [0,1,0,0,0,0|1,0,1]=3 3211 B11R1.28 IC\C=C\Cc1ccccc1 Amb28428997 [0,1,0,0,0,0|1,0,1]=3 3212 B11R1.28 N#CCC#Cc1ccccc1 Amb25705489 [0,1,0,0,0,0|1,0,2]=4 3213 B11R1.28 N#CCCC[n+]1ccccc1 Amb22339033 [0,1,0,0,0,0|2,0,0]=3 3214 B11R1.28 N#CCCCc1ccccc1 Amb6251750 [0,1,0,0,0,0|1,0,0]=2 3215 B11R1.28 N#CCCCc1ccccn1 Amb1102455 [0,1,0,0,0,0|2,0,0]=3 3216 B11R1.28 N#CCCNc1ccccc1 Amb1645915 [0,1,0,0,0,0|1,0,1]=3 3217 B11R1.28 N#CCCNc1ccccn1 Amb26484394 [0,1,0,0,0,0|2,0,1]=4 3218 B11R1.28 N#CCCNc1cccnc1 Amb24085246 [0,1,0,0,0,0|2,0,1]=4 3219 B11R1.28 N#CCCNc1ccncc1 Amb27466233 [0,1,0,0,0,0|2,0,1]=4 3220 B11R1.28 N#CCCOc1ccccc1 Amb1202508 [0,1,0,0,0,0|1,0,1]=3 3221 B11R1.28 N#CCCOc1ccccn1 Amb26517292 [0,1,0,0,0,0|2,0,1]=4 3222 B11R1.28 N#CCCOc1cccnc1 Amb27980134 [0,1,0,0,0,0|2,0,1]=4 3223 B11R1.28 N#CCCSc1ccccc1 Amb4018040 [0,1,0,0,0,0|1,0,1]=3 3224 B11R1.28 N#CCCSc1ccccn1 Amb6677794 [0,1,0,0,0,0|2,0,1]=4 3225 B11R1.28 N#CCNCc1ccccc1 Amb4477202 [0,1,0,0,0,0|1,0,1]=3 3226 B11R1.28 N#CCNCc1ccccn1 Amb33526955 [0,1,0,0,0,0|2,0,1]=4 3227 B11R1.28 N#CCNCc1cccnc1 Amb6628503 [0,1,0,0,0,0|2,0,1]=4 3228 B11R1.28 N#CCNCc1ccncc1 Amb6609481 [0,1,0,0,0,0|2,0,1]=4 3229 B11R1.28 N#CCOCc1ccccc1 Amb4011553 [0,1,0,0,0,0|1,0,1]=3 3230 B11R1.28 N#CCSCc1ccccc1 Amb6677693 [0,1,0,0,0,0|1,0,1]=3 3231 B11R1.28 N#CC[NH2+]Cc1ccccc1 Amb24113886 [0,1,0,0,0,0|1,0,1]=3 3232 B11R1.28 N#CC\C=C\c1ccccc1 Amb6268598 [0,1,0,0,0,0|1,0,2]=4 3233 B11R1.28 N#CNCCc1ccccc1 Amb27763256 [0,1,0,0,0,0|1,0,1]=3 3234 B11R1.28 N#CNOCc1ccccc1 Amb27245690 [0,1,0,0,0,0|2,0,1]=4 3235 B11R1.28 N#C\C=C\Cc1ccccc1 Amb28255392 [0,1,0,0,0,0|1,0,2]=4 3236 B11R1.28 NCC#CCc1ccccn1 Amb27462716 [0,1,0,0,0,0|2,0,1]=4 3237 B11R1.28 NCCCCc1ccccc1 Amb1227740 [0,1,0,0,0,0|1,0,0]=2 3238 B11R1.28 NCCCCc1ccccn1 Amb1102767 [0,1,0,0,0,0|2,0,0]=3 3239 B11R1.28 NCCCCc1cccnc1 Amb5735490 [0,1,0,0,0,0|2,0,0]=3 3240 B11R1.28 NCCCCc1cccnn1 Amb18201561 [0,1,0,0,0,0|3,0,0]=4 3241 B11R1.28 NCCCCc1ccncc1 Amb17991253 [0,1,0,0,0,0|2,0,0]=3 3242 B11R1.28 NCCCCc1ccncc1 Amb5735491 [0,1,0,0,0,0|2,0,0]=3 3243 B11R1.28 NCCCCc1ccncn1 Amb18831236 [0,1,0,0,0,0|3,0,0]=4 3244 B11R1.28 NCCCCc1cnccn1 Amb25385068 [0,1,0,0,0,0|3,0,0]=4 3245 B11R1.28 NCCCCc1cncnc1 Amb18125322 [0,1,0,0,0,0|3,0,0]=4 3246 B11R1.28 NCCCCc1ncccn1 Amb25385067 [0,1,0,0,0,0|3,0,0]=4 3247 B11R1.28 NCCCNc1ccccc1 Amb10086594 [0,1,0,0,0,0|1,0,0]=2 3248 B11R1.28 NCCCNc1ccccn1 Amb6260583 [0,1,0,0,0,0|2,0,0]=3 3249 B11R1.28 NCCCNc1cccnc1 Amb10607841 [0,1,0,0,0,0|2,0,0]=3 3250 B11R1.28 NCCCNc1ccncc1 Amb6261403 [0,1,0,0,0,0|2,0,0]=3 3251 B11R1.28 NCCCNc1ccnnc1 Amb35745424 [0,1,0,0,0,0|3,0,0]=4 3252 B11R1.28 NCCCNc1cnccn1 Amb6257959 [0,1,0,0,0,0|3,0,0]=4 3253 B11R1.28 NCCCNc1ncccn1 Amb33551914 [0,1,0,0,0,0|3,0,0]=4 3254 B11R1.28 NCCCNc1ncccn1 Amb6272097 [0,1,0,0,0,0|3,0,0]=4 3255 B11R1.28 NCCCOc1ccccc1 Amb1108619 [0,1,0,0,0,0|1,0,0]=2 3256 B11R1.28 NCCCOc1ccccc1 Amb2606353 [0,1,0,0,0,0|1,0,0]=2 3257 B11R1.28 NCCCOc1ccccn1 Amb19020881 [0,1,0,0,0,0|2,0,0]=3 3258 B11R1.28 NCCCOc1cccnc1 Amb9392842 [0,1,0,0,0,0|2,0,0]=3 3259 B11R1.28 NCCCOc1ccncc1 Amb18308513 [0,1,0,0,0,0|2,0,0]=3 3260 B11R1.28 NCCCOc1ccncn1 Amb18308503 [0,1,0,0,0,0|3,0,0]=4 3261 B11R1.28 NCCCOc1cnccn1 Amb18308518 [0,1,0,0,0,0|3,0,0]=4 3262 B11R1.28 NCCCOc1cncnc1 Amb32876795 [0,1,0,0,0,0|3,0,0]=4 3263 B11R1.28 NCCCOc1ncccn1 Amb18308494 [0,1,0,0,0,0|3,0,0]=4 3264 B11R1.28 NCCCOc1ncccn1 Amb28555662 [0,1,0,0,0,0|3,0,0]=4 3265 B11R1.28 NCCCSc1ccccc1 Amb1089343 [0,1,0,0,0,0|1,0,0]=2 3266 B11R1.28 NCCCSc1ccccc1 Amb2099802 [0,1,0,0,0,0|1,0,0]=2 3267 B11R1.28 NCCCSc1ccccn1 Amb28960301 [0,1,0,0,0,0|2,0,0]=3 3268 B11R1.28 NCCCSc1ccccn1 Amb6667224 [0,1,0,0,0,0|2,0,0]=3 3269 B11R1.28 NCCCSc1cnccn1 Amb27269172 [0,1,0,0,0,0|3,0,0]=4 3270 B11R1.28 NCCCSc1ncccn1 Amb2012644 [0,1,0,0,0,0|3,0,0]=4 3271 B11R1.28 NCCCSc1ncccn1 Amb6680220 [0,1,0,0,0,0|3,0,0]=4 3272 B11R1.28 NCCNCc1ccccc1 Amb2725583 [0,1,0,0,0,0|1,0,0]=2 3273 B11R1.28 NCCNCc1ccccn1 Amb17091028 [0,1,0,0,0,0|2,0,0]=3 3274 B11R1.28 NCCNCc1ccccn1 Amb29844480 [0,1,0,0,0,0|2,0,0]=3 3275 B11R1.28 NCCNCc1cccnc1 Amb17091029 [0,1,0,0,0,0|2,0,0]=3 3276 B11R1.28 NCCNCc1cccnc1 Amb29844477 [0,1,0,0,0,0|2,0,0]=3 3277 B11R1.28 NCCNCc1ccncc1 Amb17091030 [0,1,0,0,0,0|2,0,0]=3 3278 B11R1.28 NCCNCc1ccncc1 Amb29844481 [0,1,0,0,0,0|2,0,0]=3 3279 B11R1.28 NCCOCc1ccccc1 Amb1081962 [0,1,0,0,0,0|1,0,0]=2 3280 B11R1.28 NCCOCc1ccccc1 Amb2137059 [0,1,0,0,0,0|1,0,0]=2 3281 B11R1.28 NCCOCc1ccccc1 Amb28524733 [0,1,0,0,0,0|1,0,0]=2 3282 B11R1.28 NCCOCc1ccccn1 Amb18181726 [0,1,0,0,0,0|2,0,0]=3 3283 B11R1.28 NCCOCc1ccncc1 Amb19020767 [0,1,0,0,0,0|2,0,0]=3 3284 B11R1.28 NCCPCc1ccccc1 Amb27990149 [0,1,0,0,0,0|1,0,0]=2 3285 B11R1.28 NCCSCc1ccccc1 Amb432271 [0,1,0,0,0,0|1,0,0]=2 3286 B11R1.28 NCCSCc1ccccc1 Amb6335199 [0,1,0,0,0,0|1,0,0]=2 3287 B11R1.28 NCCSCc1ccccn1 Amb6269451 [0,1,0,0,0,0|2,0,0]=3 3288 B11R1.28 NCCSCc1cccnc1 Amb6277252 [0,1,0,0,0,0|2,0,0]=3 3289 B11R1.28 NCCSCc1cnccn1 Amb9298070 [0,1,0,0,0,0|3,0,0]=4 3290 B11R1.28 NCCSSc1ccccn1 Amb17619715 [0,1,0,0,0,0|3,0,0]=4 3291 B11R1.28 NCCSSc1ccccn1 Amb22523455 [0,1,0,0,0,0|3,0,0]=4 3292 B11R1.28 NCC\C=C/c1ccccc1 Amb27254115 [0,1,0,0,0,0|1,0,1]=3 3293 B11R1.28 NCC\C=C/c1cccnc1 Amb27391665 [0,1,0,0,0,0|2,0,1]=4 3294 B11R1.28 NCC\C=C\c1ccccc1 Amb17138419 [0,1,0,0,0,0|1,0,1]=3 3295 B11R1.28 NCC\C=C\c1ccccn1 Amb24383569 [0,1,0,0,0,0|2,0,1]=4 3296 B11R1.28 NCC\C=C\c1cccnc1 Amb25061778 [0,1,0,0,0,0|2,0,1]=4 3297 B11R1.28 NCC\C=C\c1ccncc1 Amb24678309 [0,1,0,0,0,0|2,0,1]=4 3298 B11R1.28 NCC\N=C\c1ccccc1 Amb27760044 [0,1,0,0,0,0|1,0,1]=3 3299 B11R1.28 NCC\N=C\c1ccccn1 Amb28072854 [0,1,0,0,0,0|2,0,1]=4 3300 B11R1.28 NC\C=C\Cc1ccccc1 Amb32951245 [0,1,0,0,0,0|1,0,1]=3 3301 B11R1.28 NNCC#Cc1ccccc1 Amb27409247 [0,1,0,0,0,0|1,0,2]=4 3302 B11R1.28 NNCCCc1ccccc1 Amb19373221 [0,1,0,0,0,0|1,0,0]=2 3303 B11R1.28 NNCCCc1ccccc1 Amb6252219 [0,1,0,0,0,0|1,0,0]=2 3304 B11R1.28 NNCCCc1ccccn1 Amb27671029 [0,1,0,0,0,0|2,0,0]=3 3305 B11R1.28 NNCCCc1cccnc1 Amb18125323 [0,1,0,0,0,0|2,0,0]=3 3306 B11R1.28 NNCCCc1ccncc1 Amb27671030 [0,1,0,0,0,0|2,0,0]=3 3307 B11R1.28 NNCCNc1ccccc1 Amb28365488 [0,1,0,0,0,0|2,0,0]=3 3308 B11R1.28 NNCCOc1ccccc1 Amb2792851 [0,1,0,0,0,0|2,0,0]=3 3309 B11R1.28 NNCCOc1ccccc1 Amb33624872 [0,1,0,0,0,0|2,0,0]=3 3310 B11R1.28 NNCCOc1ccccc1 Amb9677389 [0,1,0,0,0,0|2,0,0]=3 3311 B11R1.28 NNC\C=C\c1ccccc1 Amb33456723 [0,1,0,0,0,0|1,0,2]=4 3312 B11R1.28 NOCC#Cc1ccccc1 Amb26371096 [0,1,0,0,0,0|0,0,2]=3 3313 B11R1.28 NOCCCc1ccccc1 Amb2610651 [0,1,0,0,0,0|0,0,0]=1 3314 B11R1.28 NOCCCc1ccccn1 Amb17089546 [0,1,0,0,0,0|1,0,0]=2 3315 B11R1.28 NOCCCc1cccnc1 Amb17089547 [0,1,0,0,0,0|1,0,0]=2 3316 B11R1.28 NOCCCc1ccncc1 Amb17089548 [0,1,0,0,0,0|1,0,0]=2 3317 B11R1.28 NOCCOc1ccccc1 Amb17088287 [0,1,0,0,0,0|1,0,0]=2 3318 B11R1.28 NOCCOc1ccccc1 Amb19894640 [0,1,0,0,0,0|1,0,0]=2 3319 B11R1.28 NOCOCc1ccccc1 Amb10606697 [0,1,0,0,0,0|1,0,0]=2 3320 B11R1.28 NOC\C=C\c1ccccc1 Amb33136389 [0,1,0,0,0,0|0,0,2]=3 3321 B11R1.28 N\N=C\CCc1ccccc1 Amb27649733 [0,1,0,0,0,0|1,0,1]=3 3322 B11R1.28 O=C=NCCc1ccccc1 Amb2092802 [0,1,0,0,0,0|0,0,2]=3 3323 B11R1.28 O=C=NCCc1ccccn1 Amb24390560 [0,1,0,0,0,0|1,0,2]=4 3324 B11R1.28 O=C=NCCc1cccnc1 Amb17232038 [0,1,0,0,0,0|1,0,2]=4 3325 B11R1.28 O=C=NCCc1ccncc1 Amb24477613 [0,1,0,0,0,0|1,0,2]=4 3326 B11R1.28 O=C=NCOc1ccccc1 Amb20668487 [0,1,0,0,0,0|1,0,2]=4 3327 B11R1.28 O=C=NCSc1ccccc1 Amb27839732 [0,1,0,0,0,0|1,0,2]=4 3328 B11R1.28 O=CCC#Cc1ccccc1 Amb27390152 [0,1,0,0,0,0|0,0,3]=4 3329 B11R1.28 O=CCCCc1ccccc1 Amb6306225 [0,1,0,0,0,0|0,0,1]=2 3330 B11R1.28 O=CCCCc1ccccn1 Amb22897023 [0,1,0,0,0,0|1,0,1]=3 3331 B11R1.28 O=CCCCc1cccnc1 Amb24099514 [0,1,0,0,0,0|1,0,1]=3 3332 B11R1.28 O=CCCCc1ccncc1 Amb24099515 [0,1,0,0,0,0|1,0,1]=3 3333 B11R1.28 O=CCCCc1ccncn1 Amb24099617 [0,1,0,0,0,0|2,0,1]=4 3334 B11R1.28 O=CCCCc1cnccn1 Amb26990640 [0,1,0,0,0,0|2,0,1]=4 3335 B11R1.28 O=CCCCc1cncnc1 Amb24063015 [0,1,0,0,0,0|2,0,1]=4 3336 B11R1.28 O=CCCCc1ncccn1 Amb24061342 [0,1,0,0,0,0|2,0,1]=4 3337 B11R1.28 O=CCCOc1ccccc1 Amb5731758 [0,1,0,0,0,0|0,0,2]=3 3338 B11R1.28 O=CCCSc1ccccc1 Amb17082943 [0,1,0,0,0,0|0,0,2]=3 3339 B11R1.28 O=CCCSc1ccncc1 Amb27671141 [0,1,0,0,0,0|1,0,2]=4 3340 B11R1.28 O=CCNCc1ccccc1 Amb19886524 [0,1,0,0,0,0|0,0,2]=3 3341 B11R1.28 O=CCOCc1ccccc1 Amb3939958 [0,1,0,0,0,0|0,0,2]=3 3342 B11R1.28 O=CCSCc1ccccc1 Amb18801121 [0,1,0,0,0,0|0,0,2]=3 3343 B11R1.28 O=CNOCc1ccccc1 Amb27805476 [0,1,0,0,0,0|1,0,2]=4 3344 B11R1.28 O=COCCc1ccccc1 Amb6357955 [0,1,0,0,0,0|0,0,2]=3 3345 B11R1.28 O=C\C=C/Cc1ccccc1 Amb27861231 [0,1,0,0,0,0|0,0,3]=4 3346 B11R1.28 O=C\C=C\Cc1ccccc1 Amb32954519 [0,1,0,0,0,0|0,0,3]=4 3347 B11R1.28 O=S=CNCc1ccccc1 Amb27166552 [0,1,0,0,0,0|1,0,2]=4 3348 B11R1.28 OCC#CSc1ccccc1 Amb27641939 [0,1,0,0,0,0|0,0,2]=3 3349 B11R1.28 OCCC#Cc1ccccc1 Amb2721612 [0,1,0,0,0,0|0,0,1]=2 3350 B11R1.28 OCCC#Cc1ccccn1 Amb22749318 [0,1,0,0,0,0|1,0,1]=3 3351 B11R1.28 OCCC#Cc1cccnc1 Amb22749317 [0,1,0,0,0,0|1,0,1]=3 3352 B11R1.28 OCCC#Cc1ccncc1 Amb22749294 [0,1,0,0,0,0|1,0,1]=3 3353 B11R1.28 OCCC#Cc1cnccn1 Amb27272732 [0,1,0,0,0,0|2,0,1]=4 3354 B11R1.28 OCCC#Cc1cncnc1 Amb26989227 [0,1,0,0,0,0|2,0,1]=4 3355 B11R1.28 OCCC#Cc1ncccn1 Amb25374912 [0,1,0,0,0,0|2,0,1]=4 3356 B11R1.28 OCCCCc1ccccc1 Amb3939083 [0,1,0,0,0,0|0,0,0]=1 3357 B11R1.28 OCCCCc1ccccn1 Amb21520414 [0,1,0,0,0,0|1,0,0]=2 3358 B11R1.28 OCCCCc1cccnc1 Amb22732495 [0,1,0,0,0,0|1,0,0]=2 3359 B11R1.28 OCCCCc1ccncc1 Amb17740015 [0,1,0,0,0,0|1,0,0]=2 3360 B11R1.28 OCCCCc1cnccn1 Amb27269855 [0,1,0,0,0,0|2,0,0]=3 3361 B11R1.28 OCCCCc1ncccn1 Amb27989793 [0,1,0,0,0,0|2,0,0]=3 3362 B11R1.28 OCCCNc1ccccc1 Amb17307125 [0,1,0,0,0,0|0,0,0]=1 3363 B11R1.28 OCCCNc1ccccn1 Amb6627879 [0,1,0,0,0,0|1,0,0]=2 3364 B11R1.28 OCCCNc1ccncc1 Amb33527020 [0,1,0,0,0,0|1,0,0]=2 3365 B11R1.28 OCCCNc1ccncc1 Amb6651953 [0,1,0,0,0,0|1,0,0]=2 3366 B11R1.28 OCCCNc1ccncn1 Amb18305868 [0,1,0,0,0,0|2,0,0]=3 3367 B11R1.28 OCCCNc1cnccn1 Amb6622041 [0,1,0,0,0,0|2,0,0]=3 3368 B11R1.28 OCCCNc1cncnc1 Amb18267814 [0,1,0,0,0,0|2,0,0]=3 3369 B11R1.28 OCCCNc1ncccn1 Amb6613017 [0,1,0,0,0,0|2,0,0]=3 3370 B11R1.28 OCCCOc1ccccc1 Amb4476987 [0,1,0,0,0,0|0,0,0]=1 3371 B11R1.28 OCCCOc1ccccn1 Amb25383036 [0,1,0,0,0,0|1,0,0]=2 3372 B11R1.28 OCCCOc1cccnc1 Amb27266775 [0,1,0,0,0,0|1,0,0]=2 3373 B11R1.28 OCCCOc1cccnn1 Amb27674344 [0,1,0,0,0,0|2,0,0]=3 3374 B11R1.28 OCCCOc1ccncc1 Amb27266485 [0,1,0,0,0,0|1,0,0]=2 3375 B11R1.28 OCCCOc1ncccn1 Amb27989310 [0,1,0,0,0,0|2,0,0]=3 3376 B11R1.28 OCCCSc1ccccc1 Amb4018847 [0,1,0,0,0,0|0,0,0]=1 3377 B11R1.28 OCCCSc1ccccn1 Amb9370833 [0,1,0,0,0,0|1,0,0]=2 3378 B11R1.28 OCCCSc1cccnn1 Amb27271620 [0,1,0,0,0,0|2,0,0]=3 3379 B11R1.28 OCCCSc1ccncc1 Amb27271641 [0,1,0,0,0,0|1,0,0]=2 3380 B11R1.28 OCCCSc1cnccn1 Amb27269178 [0,1,0,0,0,0|2,0,0]=3 3381 B11R1.28 OCCC[SiH2]c1ccccc1 Amb27989504 [0,1,0,0,0,0|0,0,0]=1 3382 B11R1.28 OCCNCc1ccccc1 Amb1835287 [0,1,0,0,0,0|0,0,0]=1 3383 B11R1.28 OCCNCc1ccccc1 Amb6537902 [0,1,0,0,0,0|0,0,0]=1 3384 B11R1.28 OCCNCc1ccccn1 Amb2592506 [0,1,0,0,0,0|1,0,0]=2 3385 B11R1.28 OCCNCc1cccnc1 Amb2721834 [0,1,0,0,0,0|1,0,0]=2 3386 B11R1.28 OCCNCc1cccnn1 Amb27671491 [0,1,0,0,0,0|2,0,0]=3 3387 B11R1.28 OCCNCc1ccncc1 Amb4166438 [0,1,0,0,0,0|1,0,0]=2 3388 B11R1.28 OCCOCc1ccccc1 Amb3939139 [0,1,0,0,0,0|0,0,0]=1 3389 B11R1.28 OCCSCc1ccccc1 Amb2688740 [0,1,0,0,0,0|0,0,0]=1 3390 B11R1.28 OCCSCc1ccccn1 Amb9362966 [0,1,0,0,0,0|1,0,0]=2 3391 B11R1.28 OCCSCc1cccnc1 Amb9274166 [0,1,0,0,0,0|1,0,0]=2 3392 B11R1.28 OCCSCc1ccncc1 Amb9362981 [0,1,0,0,0,0|1,0,0]=2 3393 B11R1.28 OCCSCc1ccncn1 Amb28080016 [0,1,0,0,0,0|2,0,0]=3 3394 B11R1.28 OCCSCc1ncccn1 Amb18183594 [0,1,0,0,0,0|2,0,0]=3 3395 B11R1.28 OCCSSc1ccccn1 Amb27266803 [0,1,0,0,0,0|2,0,0]=3 3396 B11R1.28 OCC\C=C\c1ccccc1 Amb33213896 [0,1,0,0,0,0|0,0,1]=2 3397 B11R1.28 OCC\C=N\c1ccccc1 Amb27805392 [0,1,0,0,0,0|0,0,1]=2 3398 B11R1.28 OCC\N=C\c1cccnc1 Amb28125720 [0,1,0,0,0,0|1,0,1]=3 3399 B11R1.28 OCC\N=C\c1ccncc1 Amb26406078 [0,1,0,0,0,0|1,0,1]=3 3400 B11R1.28 OC\C=C\Cc1ccccc1 Amb32951814 [0,1,0,0,0,0|0,0,1]=2 3401 B11R1.28 OC\C=C\Oc1ccccn1 Amb27823751 [0,1,0,0,0,0|1,0,2]=4 3402 B11R1.28 OC\C=C\Sc1ccccc1 Amb27164022 [0,1,0,0,0,0|0,0,2]=3 3403 B11R1.28 ONCCCc1ccccc1 Amb26650950 [0,1,0,0,0,0|0,0,0]=1 3404 B11R1.28 ONCCOc1ccccc1 Amb17088413 [0,1,0,0,0,0|1,0,0]=2 3405 B11R1.28 ONC\C=C\c1ccccc1 Amb33081057 [0,1,0,0,0,0|0,0,2]=3 3406 B11R1.28 O\C=C\C=C\c1ccccc1 Amb27970649 [0,1,0,0,0,0|0,0,3]=4 3407 B11R1.28 O\N=C\C=C/c1ccccc1 Amb24668019 [0,1,0,0,0,0|0,0,3]=4 3408 B11R1.28 O\N=C\C=C\c1ccccc1 Amb28366863 [0,1,0,0,0,0|0,0,3]=4 3409 B11R1.28 O\N=C\CNc1ccccn1 Amb26576146 [0,1,0,0,0,0|2,0,1]=4 3410 B11R1.28 S=C=NCCc1ccccc1 Amb6316073 [0,1,0,0,0,0|0,1,1]=3 3411 B11R1.28 S=C=NCCc1ccccn1 Amb6673221 [0,1,0,0,0,0|1,1,1]=4 3412 B11R1.28 S=C=NCCc1cccnc1 Amb18035937 [0,1,0,0,0,0|1,1,1]=4 3413 B11R1.28 SCCCCc1ccccc1 Amb17400224 [0,1,0,0,0,0|0,1,0]=2 3414 B11R1.28 SCCCCc1ccccn1 Amb18563822 [0,1,0,0,0,0|1,1,0]=3 3415 B11R1.28 SCCCCc1cccnc1 Amb18563823 [0,1,0,0,0,0|1,1,0]=3 3416 B11R1.28 SCCCCc1ccncc1 Amb18065469 [0,1,0,0,0,0|1,1,0]=3 3417 B11R1.28 SCCCNc1ncccn1 Amb19514994 [0,1,0,0,0,0|2,1,0]=4 3418 B11R1.28 SCCCOc1ccccc1 Amb6255479 [0,1,0,0,0,0|0,1,0]=2 3419 B11R1.28 SCCCSc1ccncc1 Amb27671142 [0,1,0,0,0,0|1,1,0]=3 3420 B11R1.28 SCCNCc1ccccc1 Amb4405222 [0,1,0,0,0,0|0,1,0]=2 3421 B11R1.28 SCCNCc1ccccn1 Amb27001186 [0,1,0,0,0,0|1,1,0]=3 3422 B11R1.28 SCCNCc1cccnc1 Amb27001194 [0,1,0,0,0,0|1,1,0]=3 3423 B11R1.28 SCCNCc1ccncc1 Amb27272069 [0,1,0,0,0,0|1,1,0]=3 3424 B11R1.28 SCCOCc1ccccc1 Amb27457406 [0,1,0,0,0,0|0,1,0]=2 3425 B11R1.28 SCC\C=C\c1ccccc1 Amb33081762 [0,1,0,0,0,0|0,1,1]=3 3426 B11R1.28 [C-]#[N+]CCCc1ccccc1 Amb2690315 [0,1,0,0,0,0|1,0,0]=2 3427 B11R1.28 [C-]#[N+]CCOc1ccccc1 Amb27428630 [0,1,0,0,0,0|2,0,0]=3 3428 B11R1.28 [C-]#[N+]C\C=C\c1ccccc1 Amb33081342 [0,1,0,0,0,0|1,0,2]=4 3429 B11R1.28 [N-]=[N+]=NCCc1ccccc1 Amb19149244 [0,1,0,0,0,0|2,0,0]=3 3430 B11R1.28 [N-]=[N+]=NCCc1ccccn1 Amb24476581 [0,1,0,0,0,0|3,0,0]=4 3431 B11R1.28 [N-]=[N+]=NCCc1cccnc1 Amb26344825 [0,1,0,0,0,0|3,0,0]=4 3432 B11R1.28 [N-]=[N+]=NCCc1ccncc1 Amb27792691 [0,1,0,0,0,0|3,0,0]=4 3433 B11R1.28 [N-]=[N+]=NCNc1ccccc1 Amb27791942 [0,1,0,0,0,0|3,0,0]=4 3434 B11R1.28 [N-]=[N+]=NCSc1ccccc1 Amb22735141 [0,1,0,0,0,0|3,0,0]=4 3435 B11R1.40 C#CC(=O)Cc1ccccc1 Amb22059749 [0,1,0,0,0,0|1,0,2]=4 3436 B11R1.40 C#CC(C)Cc1ccccc1 Amb32953156 [0,1,0,0,0,0|1,0,1]=3 3437 B11R1.40 C#CC(O)Cc1ccccc1 Amb8392589 [0,1,0,0,0,0|1,0,1]=3 3438 B11R1.40 C#CC(O)Cc1ccccn1 Amb27660806 [0,1,0,0,0,0|2,0,1]=4 3439 B11R1.40 C#CC(O)Cc1ccncc1 Amb27826821 [0,1,0,0,0,0|2,0,1]=4 3440 B11R1.40 C#CN(C)Cc1ccccc1 Amb27654928 [0,1,0,0,0,0|2,0,1]=4 3441 B11R1.40 C#C[C@H](N)Cc1ccccc1 Amb27468328 [0,1,0,0,0,0|1,0,1]=3 3442 B11R1.40 C=C(C=O)Cc1ccccc1 Amb8392633 [0,1,0,0,0,0|0,0,3]=4 3443 B11R1.40 C=C(CBr)Cc1ccccc1 Amb27481590 [0,1,0,0,0,0|1,0,1]=3 3444 B11R1.40 C=C(CC)Nc1ccccc1 Amb27413657 [0,1,0,0,0,0|2,0,1]=4 3445 B11R1.40 C=C(CCl)Cc1ccccc1 Amb25185403 [0,1,0,0,0,0|1,0,1]=3 3446 B11R1.40 C=C(CCl)Sc1ccccc1 Amb27478090 [0,1,0,0,0,0|2,0,1]=4 3447 B11R1.40 C=C(CN)Cc1ccccc1 Amb26614383 [0,1,0,0,0,0|1,0,1]=3 3448 B11R1.40 C=C(CN)Sc1ccccc1 Amb27847529 [0,1,0,0,0,0|2,0,1]=4 3449 B11R1.40 C=C(CO)Sc1ccccc1 Amb27961782 [0,1,0,0,0,0|1,0,1]=3 3450 B11R1.40 C=CC(=O)Cc1ccccc1 Amb25353450 [0,1,0,0,0,0|1,0,2]=4 3451 B11R1.40 C=CC(Br)Cc1ccccc1 Amb27176324 [0,1,0,0,0,0|1,0,1]=3 3452 B11R1.40 C=CC(C)Cc1ccccc1 Amb25850978 [0,1,0,0,0,0|1,0,1]=3 3453 B11R1.40 C=CC(C)Nc1ccccc1 Amb24122661 [0,1,0,0,0,0|2,0,1]=4 3454 B11R1.40 C=CC(Cl)Cc1ccccc1 Amb28056812 [0,1,0,0,0,0|1,0,1]=3 3455 B11R1.40 C=CC(N)Cc1cccnc1 Amb27196336 [0,1,0,0,0,0|2,0,1]=4 3456 B11R1.40 C=CC(O)Cc1ccccc1 Amb24664362 [0,1,0,0,0,0|1,0,1]=3 3457 B11R1.40 C=CN(C)Cc1ccccc1 Amb27777024 [0,1,0,0,0,0|2,0,1]=4 3458 B11R1.40 C=C[C@@H](C)Nc1ccccc1 Amb28241123 [0,1,0,0,0,0|2,0,1]=4 3459 B11R1.40 C=C[C@@H](N)Cc1ccccc1 Amb10982592 [0,1,0,0,0,0|1,0,1]=3 3460 B11R1.40 C=C[C@H](C)Nc1ccccc1 Amb27596585 [0,1,0,0,0,0|2,0,1]=4 3461 B11R1.40 CC(C#N)Cc1ccccc1 Amb24402121 [0,1,0,0,0,0|1,0,1]=3 3462 B11R1.40 CC(C#N)Nc1ccccc1 Amb17399903 [0,1,0,0,0,0|2,0,1]=4 3463 B11R1.40 CC(C#N)Oc1ccccc1 Amb5780982 [0,1,0,0,0,0|2,0,1]=4 3464 B11R1.40 CC(C#N)Sc1ccccc1 Amb18800724 [0,1,0,0,0,0|2,0,1]=4 3465 B11R1.40 CC(C=O)Cc1ccccc1 Amb4035446 [0,1,0,0,0,0|0,0,2]=3 3466 B11R1.40 CC(C=O)Cc1ccccn1 Amb28196427 [0,1,0,0,0,0|1,0,2]=4 3467 B11R1.40 CC(C=O)Cc1cccnc1 Amb27629255 [0,1,0,0,0,0|1,0,2]=4 3468 B11R1.40 CC(C=O)Oc1ccccc1 Amb22011729 [0,1,0,0,0,0|1,0,2]=4 3469 B11R1.40 CC(C=O)Sc1ccccc1 Amb18646621 [0,1,0,0,0,0|1,0,2]=4 3470 B11R1.40 CC(CBr)Cc1ccccc1 Amb25151397 [0,1,0,0,0,0|1,0,0]=2 3471 B11R1.40 CC(CBr)Oc1ccccc1 Amb17241866 [0,1,0,0,0,0|2,0,0]=3 3472 B11R1.40 CC(CCl)Cc1ccccc1 Amb17477588 [0,1,0,0,0,0|1,0,0]=2 3473 B11R1.40 CC(CCl)Oc1ccccc1 Amb17232796 [0,1,0,0,0,0|2,0,0]=3 3474 B11R1.40 CC(CN)Cc1ccccc1 Amb18010535 [0,1,0,0,0,0|1,0,0]=2 3475 B11R1.40 CC(CN)Cc1ccccc1 Amb5743836 [0,1,0,0,0,0|1,0,0]=2 3476 B11R1.40 CC(CN)Cc1ccccn1 Amb5743833 [0,1,0,0,0,0|2,0,0]=3 3477 B11R1.40 CC(CN)Cc1cccnc1 Amb5743834 [0,1,0,0,0,0|2,0,0]=3 3478 B11R1.40 CC(CN)Cc1cccnn1 Amb27968161 [0,1,0,0,0,0|3,0,0]=4 3479 B11R1.40 CC(CN)Cc1ccncc1 Amb5743835 [0,1,0,0,0,0|2,0,0]=3 3480 B11R1.40 CC(CN)Cc1ccncn1 Amb27623631 [0,1,0,0,0,0|3,0,0]=4 3481 B11R1.40 CC(CN)Nc1ccccc1 Amb18644448 [0,1,0,0,0,0|2,0,0]=3 3482 B11R1.40 CC(CN)Oc1ccccc1 Amb3938897 [0,1,0,0,0,0|2,0,0]=3 3483 B11R1.40 CC(CN)Oc1ccccc1 Amb6365930 [0,1,0,0,0,0|2,0,0]=3 3484 B11R1.40 CC(CN)Oc1ccccn1 Amb22522747 [0,1,0,0,0,0|3,0,0]=4 3485 B11R1.40 CC(CN)Oc1cccnc1 Amb3941161 [0,1,0,0,0,0|3,0,0]=4 3486 B11R1.40 CC(CN)Oc1ccncc1 Amb26948680 [0,1,0,0,0,0|3,0,0]=4 3487 B11R1.40 CC(CN)Sc1ccccc1 Amb17485971 [0,1,0,0,0,0|2,0,0]=3 3488 B11R1.40 CC(CN)Sc1ccccn1 Amb18992825 [0,1,0,0,0,0|3,0,0]=4 3489 B11R1.40 CC(CN)Sc1ccccn1 Amb32662232 [0,1,0,0,0,0|3,0,0]=4 3490 B11R1.40 CC(CO)Cc1ccccc1 Amb17477578 [0,1,0,0,0,0|0,0,0]=1 3491 B11R1.40 CC(CO)Cc1ccccn1 Amb33745069 [0,1,0,0,0,0|1,0,0]=2 3492 B11R1.40 CC(CO)Cc1cccnc1 Amb28350489 [0,1,0,0,0,0|1,0,0]=2 3493 B11R1.40 CC(CO)Cc1ccncc1 Amb25374015 [0,1,0,0,0,0|1,0,0]=2 3494 B11R1.40 CC(CO)Nc1ccccc1 Amb18971804 [0,1,0,0,0,0|1,0,0]=2 3495 B11R1.40 CC(CO)Nc1cnccn1 Amb9360475 [0,1,0,0,0,0|3,0,0]=4 3496 B11R1.40 CC(CO)Oc1ccccc1 Amb17232100 [0,1,0,0,0,0|1,0,0]=2 3497 B11R1.40 CC(Cc1ccccc1)NN Amb31156530 [0,1,0,0,0,0|2,0,0]=3 3498 B11R1.40 CC(Cc1ccccc1)NN Amb4136392 [0,1,0,0,0,0|2,0,0]=3 3499 B11R1.40 CC(Cc1ccccc1)ON Amb32952996 [0,1,0,0,0,0|2,0,0]=3 3500 B11R1.40 CC(Cc1ccccn1)NN Amb27976484 [0,1,0,0,0,0|3,0,0]=4 3501 B11R1.40 CC(Cc1ccncc1)NN Amb27493950 [0,1,0,0,0,0|3,0,0]=4 3502 B11R1.40 CCC(=O)Cc1ccccc1 Amb4605994 [0,1,0,0,0,0|1,0,1]=3 3503 B11R1.40 CCC(=O)Cc1ccccn1 Amb9205933 [0,1,0,0,0,0|2,0,1]=4 3504 B11R1.40 CCC(=O)Cc1cccnc1 Amb17477730 [0,1,0,0,0,0|2,0,1]=4 3505 B11R1.40 CCC(=O)Nc1ccccc1 Amb6358816 [0,1,0,0,0,0|2,0,1]=4 3506 B11R1.40 CCC(=O)Oc1ccccc1 Amb2842289 [0,1,0,0,0,0|2,0,1]=4 3507 B11R1.40 CCC(=O)Sc1ccccc1 Amb26857967 [0,1,0,0,0,0|2,0,1]=4 3508 B11R1.40 CCC(Br)Cc1ccccc1 Amb25189250 [0,1,0,0,0,0|1,0,0]=2 3509 B11R1.40 CCC(Br)Cc1ccccn1 Amb28285520 [0,1,0,0,0,0|2,0,0]=3 3510 B11R1.40 CCC(Br)Cc1ccncc1 Amb24353281 [0,1,0,0,0,0|2,0,0]=3 3511 B11R1.40 CCC(Br)Cc1ccncc1 Amb32758727 [0,1,0,0,0,0|2,0,0]=3 3512 B11R1.40 CCC(C)Nc1ccccc1 Amb4017601 [0,1,0,0,0,0|2,0,0]=3 3513 B11R1.40 CCC(C)Oc1ccccc1 Amb24350256 [0,1,0,0,0,0|2,0,0]=3 3514 B11R1.40 CCC(C)Oc1cccnc1 Amb27432375 [0,1,0,0,0,0|3,0,0]=4 3515 B11R1.40 CCC(C)Sc1ccccc1 Amb25698974 [0,1,0,0,0,0|2,0,0]=3 3516 B11R1.40 CCC(C)Sc1ccncc1 Amb27840194 [0,1,0,0,0,0|3,0,0]=4 3517 B11R1.40 CCC(Cl)Cc1ccccc1 Amb18177890 [0,1,0,0,0,0|1,0,0]=2 3518 B11R1.40 CCC(Cl)Cc1ccncc1 Amb17477712 [0,1,0,0,0,0|2,0,0]=3 3519 B11R1.40 CCC(N)Cc1ccccc1 Amb9428866 [0,1,0,0,0,0|1,0,0]=2 3520 B11R1.40 CCC(N)Cc1ccccn1 Amb7772139 [0,1,0,0,0,0|2,0,0]=3 3521 B11R1.40 CCC(N)Cc1cccnc1 Amb9428899 [0,1,0,0,0,0|2,0,0]=3 3522 B11R1.40 CCC(N)Cc1ccncc1 Amb9428894 [0,1,0,0,0,0|2,0,0]=3 3523 B11R1.40 CCC(N)Cc1cncnc1 Amb18301363 [0,1,0,0,0,0|3,0,0]=4 3524 B11R1.40 CCC(N)Cc1ncccn1 Amb24753573 [0,1,0,0,0,0|3,0,0]=4 3525 B11R1.40 CCC(O)Cc1ccccc1 Amb4035173 [0,1,0,0,0,0|1,0,0]=2 3526 B11R1.40 CCC(O)Cc1ccccn1 Amb17477703 [0,1,0,0,0,0|2,0,0]=3 3527 B11R1.40 CCC(O)Cc1ccncc1 Amb17477704 [0,1,0,0,0,0|2,0,0]=3 3528 B11R1.40 CCC(S)Cc1ccccc1 Amb26868958 [0,1,0,0,0,0|1,0,0]=2 3529 B11R1.40 CCN(C)Cc1cccnc1 Amb26606819 [0,1,0,0,0,0|3,0,0]=4 3530 B11R1.40 CCN(N)Cc1ccccc1 Amb17232076 [0,1,0,0,0,0|2,0,0]=3 3531 B11R1.40 CCN(N)Cc1ccccn1 Amb27184039 [0,1,0,0,0,0|3,0,0]=4 3532 B11R1.40 CC[C@@H](N)Cc1ccccc1 Amb25141525 [0,1,0,0,0,0|1,0,0]=2 3533 B11R1.40 CC[C@@H](N)Cc1ccccn1 Amb27471046 [0,1,0,0,0,0|2,0,0]=3 3534 B11R1.40 CC[C@@H](N)Cc1ccncc1 Amb27945734 [0,1,0,0,0,0|2,0,0]=3 3535 B11R1.40 CC[C@@H](O)Cc1ccccc1 Amb19375372 [0,1,0,0,0,0|1,0,0]=2 3536 B11R1.40 CC[C@H](C)Cc1ccccc1 Amb25892475 [0,1,0,0,0,0|1,0,0]=2 3537 B11R1.40 CC[C@H](N)Cc1ccccc1 Amb19929690 [0,1,0,0,0,0|1,0,0]=2 3538 B11R1.40 CC[C@H](O)Cc1ccccc1 Amb27803759 [0,1,0,0,0,0|1,0,0]=2 3539 B11R1.40 CC\C(C)=C/c1ccccc1 Amb22546773 [0,1,0,0,0,0|1,0,2]=4 3540 B11R1.40 CC\C(C)=C\c1ccccc1 Amb4034910 [0,1,0,0,0,0|1,0,2]=4 3541 B11R1.40 CC\C(I)=C/c1ccccc1 Amb22641702 [0,1,0,0,0,0|1,0,2]=4 3542 B11R1.40 CN(C#N)Cc1ccccc1 Amb25072835 [0,1,0,0,0,0|2,0,1]=4 3543 B11R1.40 CN(C=O)Cc1ccccc1 Amb27795680 [0,1,0,0,0,0|1,0,2]=4 3544 B11R1.40 CN(Cc1ccccc1)N=O Amb24074071 [0,1,0,0,0,0|2,0,1]=4 3545 B11R1.40 CNC(=O)Cc1ccccc1 Amb3099550 [0,1,0,0,0,0|2,0,1]=4 3546 B11R1.40 CNC(C)Cc1ccccc1 Amb5735450 [0,1,0,0,0,0|2,0,0]=3 3547 B11R1.40 CNC(C)Cc1ccccn1 Amb1995150 [0,1,0,0,0,0|3,0,0]=4 3548 B11R1.40 CNC(C)Cc1cccnc1 Amb5735448 [0,1,0,0,0,0|3,0,0]=4 3549 B11R1.40 CNC(C)Cc1ccncc1 Amb5735449 [0,1,0,0,0,0|3,0,0]=4 3550 B11R1.40 CNC(O)Cc1ccccc1 Amb34915471 [0,1,0,0,0,0|2,0,0]=3 3551 B11R1.40 CN[C@@H](C)Cc1ccccc1 Amb3939875 [0,1,0,0,0,0|2,0,0]=3 3552 B11R1.40 CN[C@H](C)Cc1ccccc1 Amb8389889 [0,1,0,0,0,0|2,0,0]=3 3553 B11R1.40 COC(=N)Cc1ccccc1 Amb17673180 [0,1,0,0,0,0|2,0,1]=4 3554 B11R1.40 COC(=N)Cc1ccccc1 Amb22366095 [0,1,0,0,0,0|2,0,1]=4 3555 B11R1.40 COC(=O)Cc1ccccc1 Amb6608802 [0,1,0,0,0,0|2,0,1]=4 3556 B11R1.40 C[C@@H](C=O)Oc1ccccc1 Amb24504931 [0,1,0,0,0,0|1,0,2]=4 3557 B11R1.40 C[C@@H](CBr)Cc1ccccc1 Amb27839684 [0,1,0,0,0,0|1,0,0]=2 3558 B11R1.40 C[C@@H](CCl)Cc1ccccc1 Amb28060129 [0,1,0,0,0,0|1,0,0]=2 3559 B11R1.40 C[C@@H](CN)Cc1ccccc1 Amb24615612 [0,1,0,0,0,0|1,0,0]=2 3560 B11R1.40 C[C@@H](CN)Cc1ccccn1 Amb33727431 [0,1,0,0,0,0|2,0,0]=3 3561 B11R1.40 C[C@@H](CN)Cc1cccnc1 Amb33731721 [0,1,0,0,0,0|2,0,0]=3 3562 B11R1.40 C[C@@H](CN)Cc1ccncc1 Amb28313701 [0,1,0,0,0,0|2,0,0]=3 3563 B11R1.40 C[C@@H](CO)Cc1ccccc1 Amb26017714 [0,1,0,0,0,0|0,0,0]=1 3564 B11R1.40 C[C@@H](CO)Cc1ccccn1 Amb33735563 [0,1,0,0,0,0|1,0,0]=2 3565 B11R1.40 C[C@@H](CO)Cc1cccnc1 Amb33741020 [0,1,0,0,0,0|1,0,0]=2 3566 B11R1.40 C[C@@H](CO)Cc1ccncc1 Amb33735386 [0,1,0,0,0,0|1,0,0]=2 3567 B11R1.40 C[C@@H](CO)Nc1ccncc1 Amb28137825 [0,1,0,0,0,0|2,0,0]=3 3568 B11R1.40 C[C@@H](CO)Nc1cnccn1 Amb28127948 [0,1,0,0,0,0|3,0,0]=4 3569 B11R1.40 C[C@H](CN)Cc1ccccc1 Amb27595651 [0,1,0,0,0,0|1,0,0]=2 3570 B11R1.40 C[C@H](CN)Cc1ccccn1 Amb33747428 [0,1,0,0,0,0|2,0,0]=3 3571 B11R1.40 C[C@H](CN)Cc1cccnc1 Amb33737491 [0,1,0,0,0,0|2,0,0]=3 3572 B11R1.40 C[C@H](CN)Cc1ccncc1 Amb24745496 [0,1,0,0,0,0|2,0,0]=3 3573 B11R1.40 C[C@H](CN)Oc1ccccc1 Amb27803833 [0,1,0,0,0,0|2,0,0]=3 3574 B11R1.40 C[C@H](CO)Cc1ccccc1 Amb25266388 [0,1,0,0,0,0|0,0,0]=1 3575 B11R1.40 C[C@H](CO)Cc1ccccn1 Amb33730468 [0,1,0,0,0,0|1,0,0]=2 3576 B11R1.40 C[C@H](CO)Cc1cccnc1 Amb33737852 [0,1,0,0,0,0|1,0,0]=2 3577 B11R1.40 C[C@H](CO)Cc1ccncc1 Amb33730461 [0,1,0,0,0,0|1,0,0]=2 3578 B11R1.40 C[C@H](CO)Oc1ccccc1 Amb28182636 [0,1,0,0,0,0|1,0,0]=2 3579 B11R1.40 C[SiH](CO)Cc1ccccc1 Amb27981860 [0,1,0,0,0,0|0,1,0]=2 3580 B11R1.40 C\C(=C/c1ccccc1)CBr Amb33136396 [0,1,0,0,0,0|1,0,2]=4 3581 B11R1.40 C\C(=C/c1ccccc1)CCl Amb33136471 [0,1,0,0,0,0|1,0,2]=4 3582 B11R1.40 C\C(=C/c1ccccc1)CN Amb33136473 [0,1,0,0,0,0|1,0,2]=4 3583 B11R1.40 C\C(=C/c1ccccc1)CO Amb9825840 [0,1,0,0,0,0|0,0,2]=3 3584 B11R1.40 C\C(=C/c1ccccc1)CS Amb33381244 [0,1,0,0,0,0|0,1,2]=4 3585 B11R1.40 C\C(=C\c1ccccc1)CN Amb24634730 [0,1,0,0,0,0|1,0,2]=4 3586 B11R1.40 C\C(=C\c1ccncc1)CO Amb27663027 [0,1,0,0,0,0|1,0,2]=4 3587 B11R1.40 C\C(=N\O)Nc1ccccc1 Amb2610722 [0,1,0,0,0,0|2,0,1]=4 3588 B11R1.40 C\C(Cc1ccncc1)=N/O Amb32663046 [0,1,0,0,0,0|2,0,1]=4 3589 B11R1.40 C\C(Cc1ccncc1)=N\O Amb24417230 [0,1,0,0,0,0|2,0,1]=4 3590 B11R1.40 C\N=C(\N)Cc1ccccc1 Amb23569051 [0,1,0,0,0,0|2,0,1]=4 3591 B11R1.40 ClCC(Cl)Oc1ccccn1 Amb27823328 [0,1,0,0,0,0|3,0,0]=4 3592 B11R1.40 ClC\C(Cl)=N\c1ccccc1 Amb27875115 [0,1,0,0,0,0|2,0,1]=4 3593 B11R1.40 Cl\C=C(\Cl)Cc1ccccc1 Amb27657562 [0,1,0,0,0,0|1,0,2]=4 3594 B11R1.40 FCC(Cl)Sc1ccccc1 Amb27607707 [0,1,0,0,0,0|2,0,0]=3 3595 B11R1.40 FCC(F)Cc1ccccc1 Amb22641518 [0,1,0,0,0,0|1,0,0]=2 3596 B11R1.40 F\C(=C/c1ccccc1)CBr Amb27828070 [0,1,0,0,0,0|1,0,2]=4 3597 B11R1.40 N#CC(=O)Cc1ccccc1 Amb26498532 [0,1,0,0,0,0|1,0,2]=4 3598 B11R1.40 N#CC(Br)Cc1ccccc1 Amb1154191 [0,1,0,0,0,0|1,0,1]=3 3599 B11R1.40 N#CC(Cl)Cc1ccccc1 Amb1103676 [0,1,0,0,0,0|1,0,1]=3 3600 B11R1.40 N#CC(Cl)Sc1ccccc1 Amb27955178 [0,1,0,0,0,0|2,0,1]=4 3601 B11R1.40 N#CC(F)Sc1ccccc1 Amb24323242 [0,1,0,0,0,0|2,0,1]=4 3602 B11R1.40 N#CC(N)Cc1ccccc1 Amb6892763 [0,1,0,0,0,0|1,0,1]=3 3603 B11R1.40 N#CC(N)Cc1ccccc1 Amb9707863 [0,1,0,0,0,0|1,0,1]=3 3604 B11R1.40 N#CC(N)Cc1ccccn1 Amb23557153 [0,1,0,0,0,0|2,0,1]=4 3605 B11R1.40 N#CC(N)Cc1ccncc1 Amb23557155 [0,1,0,0,0,0|2,0,1]=4 3606 B11R1.40 N#C[C@@H](N)Cc1ccccc1 Amb17399902 [0,1,0,0,0,0|1,0,1]=3 3607 B11R1.40 N#C[C@H](N)Cc1ccccc1 Amb26366283 [0,1,0,0,0,0|1,0,1]=3 3608 B11R1.40 N=C(CCl)Cc1ccccc1 Amb27878974 [0,1,0,0,0,0|1,0,1]=3 3609 B11R1.40 N=C(CCl)Nc1ccccc1 Amb27234641 [0,1,0,0,0,0|2,0,1]=4 3610 B11R1.40 N=C(CCl)Sc1ccccc1 Amb29847983 [0,1,0,0,0,0|2,0,1]=4 3611 B11R1.40 N=C(CF)Nc1ccccc1 Amb27863862 [0,1,0,0,0,0|2,0,1]=4 3612 B11R1.40 N=C(CO)Nc1ccccc1 Amb28062227 [0,1,0,0,0,0|1,0,1]=3 3613 B11R1.40 N=C(Cc1ccccc1)NN Amb2616207 [0,1,0,0,0,0|2,0,1]=4 3614 B11R1.40 N=C(Cc1ccccc1)NO Amb20671380 [0,1,0,0,0,0|1,0,1]=3 3615 B11R1.40 NC(CBr)Cc1ccccc1 Amb26619555 [0,1,0,0,0,0|1,0,0]=2 3616 B11R1.40 NC(CCl)Cc1ccccc1 Amb28076898 [0,1,0,0,0,0|1,0,0]=2 3617 B11R1.40 NC(CO)Cc1ccccc1 Amb6739795 [0,1,0,0,0,0|0,0,0]=1 3618 B11R1.40 NC(CO)Cc1ccccn1 Amb17062682 [0,1,0,0,0,0|1,0,0]=2 3619 B11R1.40 NC(CO)Cc1ccccn1 Amb32729336 [0,1,0,0,0,0|1,0,0]=2 3620 B11R1.40 NC(CO)Cc1ccccn1 Amb32729407 [0,1,0,0,0,0|1,0,0]=2 3621 B11R1.40 NC(CO)Cc1cccnc1 Amb17062683 [0,1,0,0,0,0|1,0,0]=2 3622 B11R1.40 NC(CO)Cc1cccnc1 Amb28872296 [0,1,0,0,0,0|1,0,0]=2 3623 B11R1.40 NC(CO)Cc1cccnc1 Amb32729349 [0,1,0,0,0,0|1,0,0]=2 3624 B11R1.40 NC(CO)Cc1ccncc1 Amb17062684 [0,1,0,0,0,0|1,0,0]=2 3625 B11R1.40 NC(CO)Cc1ccncc1 Amb28872297 [0,1,0,0,0,0|1,0,0]=2 3626 B11R1.40 NC(CO)Cc1ccncc1 Amb32729350 [0,1,0,0,0,0|1,0,0]=2 3627 B11R1.40 NC(CO)Cc1ccncn1 Amb24099661 [0,1,0,0,0,0|2,0,0]=3 3628 B11R1.40 NC(CO)Cc1ccnnc1 Amb33230897 [0,1,0,0,0,0|2,0,0]=3 3629 B11R1.40 NC(CO)Cc1cnccn1 Amb25972735 [0,1,0,0,0,0|2,0,0]=3 3630 B11R1.40 NC(CO)Cc1cncnc1 Amb25963732 [0,1,0,0,0,0|2,0,0]=3 3631 B11R1.40 NC(CO)Cc1ncccn1 Amb26016013 [0,1,0,0,0,0|2,0,0]=3 3632 B11R1.40 NC(CS)Cc1ccccc1 Amb27401982 [0,1,0,0,0,0|0,1,0]=2 3633 B11R1.40 NC(CS)Sc1ccccn1 Amb27620439 [0,1,0,0,0,0|2,1,0]=4 3634 B11R1.40 NCC(=O)Cc1ccccc1 Amb18202084 [0,1,0,0,0,0|1,0,1]=3 3635 B11R1.40 NCC(=O)Cc1ccccc1 Amb33548503 [0,1,0,0,0,0|1,0,1]=3 3636 B11R1.40 NCC(=O)Cc1ccccn1 Amb18908409 [0,1,0,0,0,0|2,0,1]=4 3637 B11R1.40 NCC(=O)Cc1cccnc1 Amb18251321 [0,1,0,0,0,0|2,0,1]=4 3638 B11R1.40 NCC(=O)Cc1ccncc1 Amb18201930 [0,1,0,0,0,0|2,0,1]=4 3639 B11R1.40 NCC(=O)Nc1ccccc1 Amb33552339 [0,1,0,0,0,0|2,0,1]=4 3640 B11R1.40 NCC(=O)Nc1ccccc1 Amb6336661 [0,1,0,0,0,0|2,0,1]=4 3641 B11R1.40 NCC(=O)Oc1ccccc1 Amb17334310 [0,1,0,0,0,0|2,0,1]=4 3642 B11R1.40 NCC(N)Cc1ccccc1 Amb9380670 [0,1,0,0,0,0|1,0,0]=2 3643 B11R1.40 NCC(N)Cc1ccccn1 Amb27176304 [0,1,0,0,0,0|2,0,0]=3 3644 B11R1.40 NCC(N)Cc1ccnnc1 Amb33230896 [0,1,0,0,0,0|3,0,0]=4 3645 B11R1.40 NCC(O)C[n+]1ccccc1 Amb28071215 [0,1,0,0,0,0|2,0,0]=3 3646 B11R1.40 NCC(O)Cc1ccccc1 Amb2697590 [0,1,0,0,0,0|1,0,0]=2 3647 B11R1.40 NCC(O)Cc1ccccc1 Amb8630271 [0,1,0,0,0,0|1,0,0]=2 3648 B11R1.40 NCC(O)Cc1ccccn1 Amb18201349 [0,1,0,0,0,0|2,0,0]=3 3649 B11R1.40 NCC(O)Cc1cccnc1 Amb17232103 [0,1,0,0,0,0|2,0,0]=3 3650 B11R1.40 NCC(O)Cc1ccncc1 Amb18201350 [0,1,0,0,0,0|2,0,0]=3 3651 B11R1.40 NCC(O)Cc1ccncn1 Amb33267967 [0,1,0,0,0,0|3,0,0]=4 3652 B11R1.40 NCC(O)Cc1cnccn1 Amb33429653 [0,1,0,0,0,0|3,0,0]=4 3653 B11R1.40 NCC(O)Cc1cncnc1 Amb26373094 [0,1,0,0,0,0|3,0,0]=4 3654 B11R1.40 NCC(O)Cc1ncccn1 Amb26489094 [0,1,0,0,0,0|3,0,0]=4 3655 B11R1.40 NC[C@@H](N)Cc1ccccc1 Amb17619360 [0,1,0,0,0,0|1,0,0]=2 3656 B11R1.40 NC[C@@H](N)Cc1ccccn1 Amb27390029 [0,1,0,0,0,0|2,0,0]=3 3657 B11R1.40 NC[C@@H](O)Cc1ccccc1 Amb22746804 [0,1,0,0,0,0|1,0,0]=2 3658 B11R1.40 NC[C@@H](O)Cc1ccccc1 Amb33456886 [0,1,0,0,0,0|1,0,0]=2 3659 B11R1.40 NC[C@H](N)Cc1ccccc1 Amb17619359 [0,1,0,0,0,0|1,0,0]=2 3660 B11R1.40 NC[C@H](O)Cc1ccccc1 Amb24538166 [0,1,0,0,0,0|1,0,0]=2 3661 B11R1.40 NNC(=O)Cc1ccccc1 Amb6355837 [0,1,0,0,0,0|2,0,1]=4 3662 B11R1.40 N[C@@H](CBr)Cc1ccccc1 Amb27413229 [0,1,0,0,0,0|1,0,0]=2 3663 B11R1.40 N[C@@H](CF)Cc1ccccc1 Amb33624252 [0,1,0,0,0,0|1,0,0]=2 3664 B11R1.40 N[C@@H](CO)Cc1ccccc1 Amb534734 [0,1,0,0,0,0|0,0,0]=1 3665 B11R1.40 N[C@@H](CO)Cc1cccnc1 Amb27590328 [0,1,0,0,0,0|1,0,0]=2 3666 B11R1.40 N[C@H](C=O)Cc1ccccc1 Amb27810784 [0,1,0,0,0,0|0,0,2]=3 3667 B11R1.40 N[C@H](CBr)Cc1ccccc1 Amb25923127 [0,1,0,0,0,0|1,0,0]=2 3668 B11R1.40 N[C@H](CO)Cc1ccccc1 Amb3939343 [0,1,0,0,0,0|0,0,0]=1 3669 B11R1.40 N[C@H](CO)Cc1ccccn1 Amb28365427 [0,1,0,0,0,0|1,0,0]=2 3670 B11R1.40 N[C@H](CO)Cc1ccncc1 Amb28368142 [0,1,0,0,0,0|1,0,0]=2 3671 B11R1.40 N[C@H](CS)Sc1ccccn1 Amb27629028 [0,1,0,0,0,0|2,1,0]=4 3672 B11R1.40 N\C(=N/O)Nc1ccccc1 Amb18799378 [0,1,0,0,0,0|2,0,1]=4 3673 B11R1.40 N\C(=N/O)Nc1ccccc1 Amb33743404 [0,1,0,0,0,0|2,0,1]=4 3674 B11R1.40 N\C(Cc1ccccc1)=N/O Amb1159399 [0,1,0,0,0,0|1,0,1]=3 3675 B11R1.40 N\C(Cc1ccccc1)=N\O Amb1106303 [0,1,0,0,0,0|1,0,1]=3 3676 B11R1.40 N\C(Cc1ccccn1)=N/O Amb13994155 [0,1,0,0,0,0|2,0,1]=4 3677 B11R1.40 N\C(Cc1ccccn1)=N\O Amb2696195 [0,1,0,0,0,0|2,0,1]=4 3678 B11R1.40 N\C(Cc1cccnc1)=N/O Amb8385611 [0,1,0,0,0,0|2,0,1]=4 3679 B11R1.40 N\C(Cc1cccnc1)=N\O Amb2696196 [0,1,0,0,0,0|2,0,1]=4 3680 B11R1.40 N\C(Cc1ccncc1)=N/O Amb6244226 [0,1,0,0,0,0|2,0,1]=4 3681 B11R1.40 O=C(CBr)Cc1ccccc1 Amb17569850 [0,1,0,0,0,0|1,0,1]=3 3682 B11R1.40 O=C(CBr)Cc1cccnc1 Amb27768396 [0,1,0,0,0,0|2,0,1]=4 3683 B11R1.40 O=C(CBr)Nc1ccccc1 Amb2222053 [0,1,0,0,0,0|2,0,1]=4 3684 B11R1.40 O=C(CBr)Oc1ccccc1 Amb3940897 [0,1,0,0,0,0|2,0,1]=4 3685 B11R1.40 O=C(CCl)Cc1ccccc1 Amb2371529 [0,1,0,0,0,0|1,0,1]=3 3686 B11R1.40 O=C(CCl)Cc1ccccn1 Amb25878171 [0,1,0,0,0,0|2,0,1]=4 3687 B11R1.40 O=C(CCl)Cc1ccncc1 Amb27979082 [0,1,0,0,0,0|2,0,1]=4 3688 B11R1.40 O=C(CCl)Nc1ccccc1 Amb6333920 [0,1,0,0,0,0|2,0,1]=4 3689 B11R1.40 O=C(CCl)Oc1ccccc1 Amb1914503 [0,1,0,0,0,0|2,0,1]=4 3690 B11R1.40 O=C(CF)Nc1ccccc1 Amb20246909 [0,1,0,0,0,0|2,0,1]=4 3691 B11R1.40 O=C(CI)Nc1ccccc1 Amb21964671 [0,1,0,0,0,0|2,0,1]=4 3692 B11R1.40 O=C(CO)Nc1ccccc1 Amb1110212 [0,1,0,0,0,0|1,0,1]=3 3693 B11R1.40 O=C(CO)Nc1ccccn1 Amb5798132 [0,1,0,0,0,0|2,0,1]=4 3694 B11R1.40 O=C(CO)Nc1cccnc1 Amb5798134 [0,1,0,0,0,0|2,0,1]=4 3695 B11R1.40 O=C(CO)Nc1ccncc1 Amb5798135 [0,1,0,0,0,0|2,0,1]=4 3696 B11R1.40 O=C(CO)Oc1cccnc1 Amb28189046 [0,1,0,0,0,0|2,0,1]=4 3697 B11R1.40 O=C(CS)Nc1ccccc1 Amb1349645 [0,1,0,0,0,0|1,1,1]=4 3698 B11R1.40 O=C(Cc1ccccn1)NO Amb28059218 [0,1,0,0,0,0|2,0,1]=4 3699 B11R1.40 O=C(NO)Nc1ccccc1 Amb2746999 [0,1,0,0,0,0|2,0,1]=4 3700 B11R1.40 O=C(NO)Oc1ccccc1 Amb22493600 [0,1,0,0,0,0|2,0,1]=4 3701 B11R1.40 O=CC(=O)Cc1ccccc1 Amb17593687 [0,1,0,0,0,0|0,0,3]=4 3702 B11R1.40 O=CC(Cl)Cc1ccccc1 Amb17204312 [0,1,0,0,0,0|0,0,2]=3 3703 B11R1.40 O=CC(Cl)Cc1cccnc1 Amb27866890 [0,1,0,0,0,0|1,0,2]=4 3704 B11R1.40 O=CC(I)Cc1ccccc1 Amb27839657 [0,1,0,0,0,0|0,0,2]=3 3705 B11R1.40 O=CC(O)Cc1ccccn1 Amb28345542 [0,1,0,0,0,0|1,0,2]=4 3706 B11R1.40 O=CN(O)Cc1ccccc1 Amb27873557 [0,1,0,0,0,0|1,0,2]=4 3707 B11R1.40 O=C[C@@H](Cl)Cc1ccccc1 Amb27632499 [0,1,0,0,0,0|0,0,2]=3 3708 B11R1.40 O=C[C@H](Cl)Cc1ccccc1 Amb27955251 [0,1,0,0,0,0|0,0,2]=3 3709 B11R1.40 O=C[C@H](I)Cc1ccccc1 Amb28365493 [0,1,0,0,0,0|0,0,2]=3 3710 B11R1.40 O=NN(O)Cc1ccccc1 Amb28131432 [0,1,0,0,0,0|2,0,1]=4 3711 B11R1.40 OC(CBr)Cc1ccccc1 Amb17595843 [0,1,0,0,0,0|1,0,0]=2 3712 B11R1.40 OC(CBr)Sc1ccccc1 Amb24065441 [0,1,0,0,0,0|2,0,0]=3 3713 B11R1.40 OC(CCl)Cc1ccccc1 Amb4035193 [0,1,0,0,0,0|1,0,0]=2 3714 B11R1.40 OC(CCl)Cc1cnccn1 Amb27409276 [0,1,0,0,0,0|3,0,0]=4 3715 B11R1.40 OC(CF)Cc1ccccc1 Amb24733743 [0,1,0,0,0,0|1,0,0]=2 3716 B11R1.40 OCC(Br)Cc1ccccc1 Amb27225418 [0,1,0,0,0,0|0,0,0]=1 3717 B11R1.40 OCC(Cl)Cc1ccccc1 Amb24373181 [0,1,0,0,0,0|0,0,0]=1 3718 B11R1.40 OCC(O)Cc1ccccc1 Amb17593786 [0,1,0,0,0,0|0,0,0]=1 3719 B11R1.40 OCC(O)Cc1ccccn1 Amb26381861 [0,1,0,0,0,0|1,0,0]=2 3720 B11R1.40 OCC(O)Oc1ccccc1 Amb28344634 [0,1,0,0,0,0|1,0,0]=2 3721 B11R1.40 OCC(S)Cc1ccccc1 Amb28292008 [0,1,0,0,0,0|0,0,0]=1 3722 B11R1.40 OC[C@@H](Br)Cc1ccccc1 Amb26974518 [0,1,0,0,0,0|0,0,0]=1 3723 B11R1.40 OC[C@@H](Cl)Cc1ccccc1 Amb25984616 [0,1,0,0,0,0|0,0,0]=1 3724 B11R1.40 OC[C@H](F)Cc1ccccc1 Amb27756441 [0,1,0,0,0,0|0,0,0]=1 3725 B11R1.40 OC\C(Cl)=C/c1ccccc1 Amb27234634 [0,1,0,0,0,0|0,0,2]=3 3726 B11R1.40 ONC(=S)Nc1ccccc1 Amb9824829 [0,1,0,0,0,0|2,0,1]=4 3727 B11R1.40 O[C@@H](CBr)Cc1ccccc1 Amb28135916 [0,1,0,0,0,0|1,0,0]=2 3728 B11R1.40 O[C@@H](CCl)Cc1ccccc1 Amb19929327 [0,1,0,0,0,0|1,0,0]=2 3729 B11R1.40 O[C@H](CCl)Cc1ccccc1 Amb19929332 [0,1,0,0,0,0|1,0,0]=2 3730 B11R1.40 O\N=C(/Cl)Cc1ccccc1 Amb33625234 [0,1,0,0,0,0|1,0,1]=3 3731 B11R1.40 O\N=C(/O)Cc1ccccc1 Amb19986986 [0,1,0,0,0,0|1,0,1]=3 3732 B11R1.40 [C-]#[N+]C(C)Cc1ccccc1 Amb32953158 [0,1,0,0,0,0|2,0,0]=3 3733 B11R1.40 [NH3+]C(CO)Cc1ccccc1 Amb33512954 [0,1,0,0,0,0|0,0,0]=1 3734 B11R1.91 C=C(Br)CNc1ccccc1 Amb4303983 [0,1,0,0,0,0|2,0,1]=4 3735 B11R1.91 C=C(C)CCc1ccccc1 Amb28199357 [0,1,0,0,0,0|1,0,1]=3 3736 B11R1.91 C=C(C)CNc1ccccc1 Amb4017508 [0,1,0,0,0,0|2,0,1]=4 3737 B11R1.91 C=C(C)COc1ccccc1 Amb10601706 [0,1,0,0,0,0|2,0,1]=4 3738 B11R1.91 C=C(C)CSc1ccccc1 Amb4013110 [0,1,0,0,0,0|2,0,1]=4 3739 B11R1.91 C=C(C)NCc1ccccc1 Amb27174576 [0,1,0,0,0,0|2,0,1]=4 3740 B11R1.91 C=C(C)OCc1ccccc1 Amb22731238 [0,1,0,0,0,0|2,0,1]=4 3741 B11R1.91 C=C(Cl)CNc1ccccc1 Amb18289308 [0,1,0,0,0,0|2,0,1]=4 3742 B11R1.91 C=C(Cl)CSc1ccccc1 Amb4013517 [0,1,0,0,0,0|2,0,1]=4 3743 B11R1.91 C=C(O)OCc1ccccc1 Amb26478129 [0,1,0,0,0,0|1,0,1]=3 3744 B11R1.91 C=[ClH](C)COc1ccccc1 Amb28059898 [0,1,0,0,0,0|3,0,0]=4 3745 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,1,0,0,0,0|2,0,1]=4 3746 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,1,0,0,0,0|2,0,1]=4 3747 B11R1.91 CC(=O)CCc1ccccc1 Amb4605983 [0,1,0,0,0,0|0,0,2]=3 3748 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,1,0,0,0,0|1,0,2]=4 3749 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,1,0,0,0,0|1,0,2]=4 3750 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,1,0,0,0,0|1,0,2]=4 3751 B11R1.91 CC(=O)CCc1ccncc1 Amb33329478 [0,1,0,0,0,0|1,0,2]=4 3752 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,1,0,0,0,0|1,0,2]=4 3753 B11R1.91 CC(=O)COc1ccccc1 Amb8515312 [0,1,0,0,0,0|1,0,2]=4 3754 B11R1.91 CC(=O)CSc1ccccc1 Amb3836103 [0,1,0,0,0,0|1,0,2]=4 3755 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,1,0,0,0,0|1,0,2]=4 3756 B11R1.91 CC(=O)OCc1ccccc1 Amb8513061 [0,1,0,0,0,0|1,0,2]=4 3757 B11R1.91 CC(=O)SCc1ccccc1 Amb26888160 [0,1,0,0,0,0|1,0,2]=4 3758 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,1,0,0,0,0|1,1,1]=4 3759 B11R1.91 CC(Br)CCc1ccccc1 Amb8835399 [0,1,0,0,0,0|1,0,0]=2 3760 B11R1.91 CC(Br)CCc1cccnc1 Amb28401177 [0,1,0,0,0,0|2,0,0]=3 3761 B11R1.91 CC(Br)CCc1cncnc1 Amb27989140 [0,1,0,0,0,0|3,0,0]=4 3762 B11R1.91 CC(Br)CNc1ccccc1 Amb28428528 [0,1,0,0,0,0|2,0,0]=3 3763 B11R1.91 CC(Br)COc1ccccc1 Amb25278262 [0,1,0,0,0,0|2,0,0]=3 3764 B11R1.91 CC(Br)CSc1ccccc1 Amb27628746 [0,1,0,0,0,0|2,0,0]=3 3765 B11R1.91 CC(Br)\C=C\c1ccccc1 Amb27401147 [0,1,0,0,0,0|1,0,2]=4 3766 B11R1.91 CC(C)=CCc1ccccc1 Amb2720924 [0,1,0,0,0,0|1,0,2]=4 3767 B11R1.91 CC(C)=NCc1ccccc1 Amb10568469 [0,1,0,0,0,0|2,0,1]=4 3768 B11R1.91 CC(C)CC[n+]1ccccc1 Amb27809209 [0,1,0,0,0,0|2,0,0]=3 3769 B11R1.91 CC(C)CCc1ccccc1 Amb4477358 [0,1,0,0,0,0|1,0,0]=2 3770 B11R1.91 CC(C)CCc1ccccn1 Amb27400236 [0,1,0,0,0,0|2,0,0]=3 3771 B11R1.91 CC(C)CCc1ccncn1 Amb24102818 [0,1,0,0,0,0|3,0,0]=4 3772 B11R1.91 CC(C)CCc1cnccn1 Amb28040864 [0,1,0,0,0,0|3,0,0]=4 3773 B11R1.91 CC(C)CNc1ccccc1 Amb28960302 [0,1,0,0,0,0|2,0,0]=3 3774 B11R1.91 CC(C)CNc1ccccc1 Amb4304155 [0,1,0,0,0,0|2,0,0]=3 3775 B11R1.91 CC(C)CNc1cccnc1 Amb33527398 [0,1,0,0,0,0|3,0,0]=4 3776 B11R1.91 CC(C)COc1ccccc1 Amb27668259 [0,1,0,0,0,0|2,0,0]=3 3777 B11R1.91 CC(C)COc1ccccn1 Amb27760645 [0,1,0,0,0,0|3,0,0]=4 3778 B11R1.91 CC(C)COc1cccnc1 Amb27836213 [0,1,0,0,0,0|3,0,0]=4 3779 B11R1.91 CC(C)CSc1ccccc1 Amb4016673 [0,1,0,0,0,0|2,0,0]=3 3780 B11R1.91 CC(C)NCc1ccccc1 Amb4020804 [0,1,0,0,0,0|2,0,0]=3 3781 B11R1.91 CC(C)NCc1ccccc1 Amb6383293 [0,1,0,0,0,0|2,0,0]=3 3782 B11R1.91 CC(C)NCc1ccccn1 Amb20673475 [0,1,0,0,0,0|3,0,0]=4 3783 B11R1.91 CC(C)NCc1ccccn1 Amb2118825 [0,1,0,0,0,0|3,0,0]=4 3784 B11R1.91 CC(C)NCc1ccccn1 Amb2592099 [0,1,0,0,0,0|3,0,0]=4 3785 B11R1.91 CC(C)NCc1cccnc1 Amb11012655 [0,1,0,0,0,0|3,0,0]=4 3786 B11R1.91 CC(C)NCc1cccnc1 Amb2118449 [0,1,0,0,0,0|3,0,0]=4 3787 B11R1.91 CC(C)NCc1cccnc1 Amb2592095 [0,1,0,0,0,0|3,0,0]=4 3788 B11R1.91 CC(C)NCc1ccncc1 Amb20673476 [0,1,0,0,0,0|3,0,0]=4 3789 B11R1.91 CC(C)NCc1ccncc1 Amb2118447 [0,1,0,0,0,0|3,0,0]=4 3790 B11R1.91 CC(C)NCc1ccncc1 Amb2592092 [0,1,0,0,0,0|3,0,0]=4 3791 B11R1.91 CC(C)OCc1ccccc1 Amb3988003 [0,1,0,0,0,0|2,0,0]=3 3792 B11R1.91 CC(C)SCc1ccccc1 Amb25935134 [0,1,0,0,0,0|2,0,0]=3 3793 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [0,1,0,0,0,0|1,0,2]=4 3794 B11R1.91 CC(C)\C=C\c1ccccc1 Amb33620440 [0,1,0,0,0,0|1,0,2]=4 3795 B11R1.91 CC(C)\N=C\c1ccccc1 Amb4020035 [0,1,0,0,0,0|2,0,1]=4 3796 B11R1.91 CC(Cl)CCc1ccccc1 Amb9205035 [0,1,0,0,0,0|1,0,0]=2 3797 B11R1.91 CC(Cl)CCc1ccccn1 Amb27763955 [0,1,0,0,0,0|2,0,0]=3 3798 B11R1.91 CC(Cl)CNc1ccncc1 Amb27980943 [0,1,0,0,0,0|3,0,0]=4 3799 B11R1.91 CC(Cl)SCc1ccccc1 Amb27638041 [0,1,0,0,0,0|2,0,0]=3 3800 B11R1.91 CC(F)CNc1ccccc1 Amb27872143 [0,1,0,0,0,0|2,0,0]=3 3801 B11R1.91 CC(N)CCc1ccccc1 Amb5740105 [0,1,0,0,0,0|1,0,0]=2 3802 B11R1.91 CC(N)CCc1ccccc1 Amb6383144 [0,1,0,0,0,0|1,0,0]=2 3803 B11R1.91 CC(N)CCc1ccccn1 Amb17507327 [0,1,0,0,0,0|2,0,0]=3 3804 B11R1.91 CC(N)CCc1cccnc1 Amb17507328 [0,1,0,0,0,0|2,0,0]=3 3805 B11R1.91 CC(N)CCc1ccncc1 Amb17507329 [0,1,0,0,0,0|2,0,0]=3 3806 B11R1.91 CC(N)CCc1ccncn1 Amb18201527 [0,1,0,0,0,0|3,0,0]=4 3807 B11R1.91 CC(N)CCc1cnccn1 Amb25691782 [0,1,0,0,0,0|3,0,0]=4 3808 B11R1.91 CC(N)CCc1cncnc1 Amb18125321 [0,1,0,0,0,0|3,0,0]=4 3809 B11R1.91 CC(N)CCc1ncccn1 Amb33270397 [0,1,0,0,0,0|3,0,0]=4 3810 B11R1.91 CC(N)CNc1ccccc1 Amb18972362 [0,1,0,0,0,0|2,0,0]=3 3811 B11R1.91 CC(N)CNc1ccccn1 Amb18125324 [0,1,0,0,0,0|3,0,0]=4 3812 B11R1.91 CC(N)COc1ccccc1 Amb10609380 [0,1,0,0,0,0|2,0,0]=3 3813 B11R1.91 CC(N)COc1ccccc1 Amb9756346 [0,1,0,0,0,0|2,0,0]=3 3814 B11R1.91 CC(N)CSc1ccccc1 Amb18065472 [0,1,0,0,0,0|2,0,0]=3 3815 B11R1.91 CC(N)CSc1ccccc1 Amb21988436 [0,1,0,0,0,0|2,0,0]=3 3816 B11R1.91 CC(N)CSc1ccccn1 Amb22642666 [0,1,0,0,0,0|3,0,0]=4 3817 B11R1.91 CC(N)CSc1ccccn1 Amb32662174 [0,1,0,0,0,0|3,0,0]=4 3818 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [0,1,0,0,0,0|1,0,2]=4 3819 B11R1.91 CC(N)\N=N\c1ccccc1 Amb26948832 [0,1,0,0,0,0|3,0,0]=4 3820 B11R1.91 CC(O)C#Cc1ccccc1 Amb534711 [0,1,0,0,0,0|0,0,2]=3 3821 B11R1.91 CC(O)C#Cc1cccnc1 Amb9777317 [0,1,0,0,0,0|1,0,2]=4 3822 B11R1.91 CC(O)C#Cc1ccncc1 Amb9777315 [0,1,0,0,0,0|1,0,2]=4 3823 B11R1.91 CC(O)CCc1ccccc1 Amb4009672 [0,1,0,0,0,0|0,0,0]=1 3824 B11R1.91 CC(O)CCc1ccccn1 Amb17507263 [0,1,0,0,0,0|1,0,0]=2 3825 B11R1.91 CC(O)CCc1cccnc1 Amb17507264 [0,1,0,0,0,0|1,0,0]=2 3826 B11R1.91 CC(O)CCc1ccncc1 Amb17507265 [0,1,0,0,0,0|1,0,0]=2 3827 B11R1.91 CC(O)CCc1ccncn1 Amb27153327 [0,1,0,0,0,0|2,0,0]=3 3828 B11R1.91 CC(O)CCc1cnccn1 Amb26539825 [0,1,0,0,0,0|2,0,0]=3 3829 B11R1.91 CC(O)CCc1cncnc1 Amb27799657 [0,1,0,0,0,0|2,0,0]=3 3830 B11R1.91 CC(O)CCc1ncccn1 Amb27656314 [0,1,0,0,0,0|2,0,0]=3 3831 B11R1.91 CC(O)CNc1ccccc1 Amb6537763 [0,1,0,0,0,0|1,0,0]=2 3832 B11R1.91 CC(O)CNc1ccncc1 Amb9248479 [0,1,0,0,0,0|2,0,0]=3 3833 B11R1.91 CC(O)CNc1cnccn1 Amb2445430 [0,1,0,0,0,0|3,0,0]=4 3834 B11R1.91 CC(O)COc1ccccc1 Amb6298844 [0,1,0,0,0,0|1,0,0]=2 3835 B11R1.91 CC(O)CPc1ccccc1 Amb27756306 [0,1,0,0,0,0|1,0,0]=2 3836 B11R1.91 CC(O)CSc1ccccc1 Amb18793066 [0,1,0,0,0,0|1,0,0]=2 3837 B11R1.91 CC(O)CSc1ccncc1 Amb27979111 [0,1,0,0,0,0|2,0,0]=3 3838 B11R1.91 CC(O)CSc1cnccn1 Amb27457141 [0,1,0,0,0,0|3,0,0]=4 3839 B11R1.91 CC(O)CSc1ncccn1 Amb18180264 [0,1,0,0,0,0|3,0,0]=4 3840 B11R1.91 CC(O)\C=C\c1ccccc1 Amb17593695 [0,1,0,0,0,0|0,0,2]=3 3841 B11R1.91 CC(O)\C=C\c1ccccn1 Amb576300 [0,1,0,0,0,0|1,0,2]=4 3842 B11R1.91 CC(O)\C=C\c1cccnc1 Amb25847379 [0,1,0,0,0,0|1,0,2]=4 3843 B11R1.91 CC(O)\C=C\c1ccncc1 Amb616107 [0,1,0,0,0,0|1,0,2]=4 3844 B11R1.91 CC(S)CCc1ccccc1 Amb7784713 [0,1,0,0,0,0|0,1,0]=2 3845 B11R1.91 CC(S)COc1ccccc1 Amb29854435 [0,1,0,0,0,0|1,1,0]=3 3846 B11R1.91 CN(C)CCc1ccccc1 Amb3428717 [0,1,0,0,0,0|2,0,0]=3 3847 B11R1.91 CN(C)CCc1ccccn1 Amb2725569 [0,1,0,0,0,0|3,0,0]=4 3848 B11R1.91 CN(C)CCc1cccnc1 Amb8484655 [0,1,0,0,0,0|3,0,0]=4 3849 B11R1.91 CN(C)CCc1ccncc1 Amb24073816 [0,1,0,0,0,0|3,0,0]=4 3850 B11R1.91 CN(C)NCc1ccccc1 Amb25921006 [0,1,0,0,0,0|3,0,0]=4 3851 B11R1.91 CN(N)CCc1ccccc1 Amb18064284 [0,1,0,0,0,0|2,0,0]=3 3852 B11R1.91 CN(N)CCc1ccncc1 Amb28187960 [0,1,0,0,0,0|3,0,0]=4 3853 B11R1.91 CN(O)CCc1ccccc1 Amb32953149 [0,1,0,0,0,0|1,0,0]=2 3854 B11R1.91 CN(O)CCc1ccncc1 Amb25684228 [0,1,0,0,0,0|2,0,0]=3 3855 B11R1.91 CN(O)\N=N\c1ccccc1 Amb27185830 [0,1,0,0,0,0|3,0,0]=4 3856 B11R1.91 C[C@@H](N)CCc1ccccc1 Amb8516709 [0,1,0,0,0,0|1,0,0]=2 3857 B11R1.91 C[C@@H](N)CCc1ccccn1 Amb25076768 [0,1,0,0,0,0|2,0,0]=3 3858 B11R1.91 C[C@@H](N)CCc1cccnc1 Amb27461341 [0,1,0,0,0,0|2,0,0]=3 3859 B11R1.91 C[C@@H](N)CCc1ccncc1 Amb24551017 [0,1,0,0,0,0|2,0,0]=3 3860 B11R1.91 C[C@@H](N)CCc1ccncn1 Amb33268671 [0,1,0,0,0,0|3,0,0]=4 3861 B11R1.91 C[C@@H](N)CCc1cnccn1 Amb33359977 [0,1,0,0,0,0|3,0,0]=4 3862 B11R1.91 C[C@@H](N)CCc1cncnc1 Amb33149181 [0,1,0,0,0,0|3,0,0]=4 3863 B11R1.91 C[C@@H](N)CCc1ncccn1 Amb33270395 [0,1,0,0,0,0|3,0,0]=4 3864 B11R1.91 C[C@@H](N)COc1ccccc1 Amb18538481 [0,1,0,0,0,0|2,0,0]=3 3865 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb33083236 [0,1,0,0,0,0|1,0,2]=4 3866 B11R1.91 C[C@@H](O)C#Cc1ccccc1 Amb27865137 [0,1,0,0,0,0|0,0,2]=3 3867 B11R1.91 C[C@@H](O)C#Cc1ccccn1 Amb25299246 [0,1,0,0,0,0|1,0,2]=4 3868 B11R1.91 C[C@@H](O)CCc1ccccc1 Amb22049565 [0,1,0,0,0,0|0,0,0]=1 3869 B11R1.91 C[C@@H](O)CCc1ccccn1 Amb33360774 [0,1,0,0,0,0|1,0,0]=2 3870 B11R1.91 C[C@@H](O)CCc1cccnc1 Amb33360059 [0,1,0,0,0,0|1,0,0]=2 3871 B11R1.91 C[C@@H](O)CCc1ccncc1 Amb33380653 [0,1,0,0,0,0|1,0,0]=2 3872 B11R1.91 C[C@@H](O)CCc1ccncn1 Amb33268597 [0,1,0,0,0,0|2,0,0]=3 3873 B11R1.91 C[C@@H](O)CCc1cnccn1 Amb33359978 [0,1,0,0,0,0|2,0,0]=3 3874 B11R1.91 C[C@@H](O)CCc1cncnc1 Amb33149182 [0,1,0,0,0,0|2,0,0]=3 3875 B11R1.91 C[C@@H](O)CCc1ncccn1 Amb33270396 [0,1,0,0,0,0|2,0,0]=3 3876 B11R1.91 C[C@@H](O)CNc1ccccc1 Amb27400122 [0,1,0,0,0,0|1,0,0]=2 3877 B11R1.91 C[C@@H](O)COc1ccccc1 Amb27776994 [0,1,0,0,0,0|1,0,0]=2 3878 B11R1.91 C[C@@H](O)CSc1ccccn1 Amb27812128 [0,1,0,0,0,0|2,0,0]=3 3879 B11R1.91 C[C@@H](O)\C=C\c1ccccc1 Amb32954507 [0,1,0,0,0,0|0,0,2]=3 3880 B11R1.91 C[C@H](Br)CCc1ccccc1 Amb27592949 [0,1,0,0,0,0|1,0,0]=2 3881 B11R1.91 C[C@H](N)CCc1ccccc1 Amb8516076 [0,1,0,0,0,0|1,0,0]=2 3882 B11R1.91 C[C@H](N)CCc1ccccn1 Amb27655480 [0,1,0,0,0,0|2,0,0]=3 3883 B11R1.91 C[C@H](N)CCc1cccnc1 Amb27391591 [0,1,0,0,0,0|2,0,0]=3 3884 B11R1.91 C[C@H](N)CCc1ccncc1 Amb24715801 [0,1,0,0,0,0|2,0,0]=3 3885 B11R1.91 C[C@H](N)CCc1ccncn1 Amb33268670 [0,1,0,0,0,0|3,0,0]=4 3886 B11R1.91 C[C@H](N)CCc1cnccn1 Amb33359976 [0,1,0,0,0,0|3,0,0]=4 3887 B11R1.91 C[C@H](N)CCc1cncnc1 Amb33149180 [0,1,0,0,0,0|3,0,0]=4 3888 B11R1.91 C[C@H](N)CCc1ncccn1 Amb33270394 [0,1,0,0,0,0|3,0,0]=4 3889 B11R1.91 C[C@H](N)COc1ccccc1 Amb17232092 [0,1,0,0,0,0|2,0,0]=3 3890 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb32954166 [0,1,0,0,0,0|1,0,2]=4 3891 B11R1.91 C[C@H](O)C#Cc1ccccc1 Amb27823543 [0,1,0,0,0,0|0,0,2]=3 3892 B11R1.91 C[C@H](O)C#Cc1ccccn1 Amb27617410 [0,1,0,0,0,0|1,0,2]=4 3893 B11R1.91 C[C@H](O)CCc1ccccc1 Amb19929325 [0,1,0,0,0,0|0,0,0]=1 3894 B11R1.91 C[C@H](O)CCc1ccccn1 Amb33360775 [0,1,0,0,0,0|1,0,0]=2 3895 B11R1.91 C[C@H](O)CCc1cccnc1 Amb33360413 [0,1,0,0,0,0|1,0,0]=2 3896 B11R1.91 C[C@H](O)CCc1ccncc1 Amb33380654 [0,1,0,0,0,0|1,0,0]=2 3897 B11R1.91 C[C@H](O)CCc1ccncn1 Amb33268662 [0,1,0,0,0,0|2,0,0]=3 3898 B11R1.91 C[C@H](O)CCc1cnccn1 Amb33359979 [0,1,0,0,0,0|2,0,0]=3 3899 B11R1.91 C[C@H](O)CCc1cncnc1 Amb33149415 [0,1,0,0,0,0|2,0,0]=3 3900 B11R1.91 C[C@H](O)CCc1ncccn1 Amb33270794 [0,1,0,0,0,0|2,0,0]=3 3901 B11R1.91 C[C@H](O)CNc1ncccn1 Amb27836469 [0,1,0,0,0,0|3,0,0]=4 3902 B11R1.91 C[C@H](O)CSc1cccnc1 Amb27978404 [0,1,0,0,0,0|2,0,0]=3 3903 B11R1.91 C[C@H](O)\C=C\c1ccccc1 Amb27405101 [0,1,0,0,0,0|0,0,2]=3 3904 B11R1.91 C[PH](=O)OCc1ccccc1 Amb8391293 [0,1,0,0,0,0|2,0,1]=4 3905 B11R1.91 ClC(Cl)CSc1ccccc1 Amb28129316 [0,1,0,0,0,0|2,0,0]=3 3906 B11R1.91 ClC(Cl)OCc1ccccc1 Amb28244766 [0,1,0,0,0,0|2,0,0]=3 3907 B11R1.91 ClP(Cl)OCc1ccccc1 Amb22054434 [0,1,0,0,0,0|3,0,0]=4 3908 B11R1.91 FC(Cl)CSc1ccccc1 Amb27847576 [0,1,0,0,0,0|2,0,0]=3 3909 B11R1.91 FC(F)C#Cc1ccccc1 Amb27617278 [0,1,0,0,0,0|1,0,2]=4 3910 B11R1.91 FC(F)CNc1ccccc1 Amb18791799 [0,1,0,0,0,0|2,0,0]=3 3911 B11R1.91 FC(F)CNc1ccccc1 Amb20623918 [0,1,0,0,0,0|2,0,0]=3 3912 B11R1.91 FC(F)CNc1cccnc1 Amb35751399 [0,1,0,0,0,0|3,0,0]=4 3913 B11R1.91 FC(F)CNc1ccncc1 Amb26058483 [0,1,0,0,0,0|3,0,0]=4 3914 B11R1.91 FC(F)CNc1ccncc1 Amb33528958 [0,1,0,0,0,0|3,0,0]=4 3915 B11R1.91 FC(F)COc1ccccc1 Amb22008298 [0,1,0,0,0,0|2,0,0]=3 3916 B11R1.91 FC(F)COc1ccccn1 Amb25884399 [0,1,0,0,0,0|3,0,0]=4 3917 B11R1.91 FC(F)CSc1ccccn1 Amb28189880 [0,1,0,0,0,0|3,0,0]=4 3918 B11R1.91 FC(F)SCc1ccccc1 Amb7969851 [0,1,0,0,0,0|2,0,0]=3 3919 B11R1.91 N=C(/N)SCc1ccccc1 Amb20655654 [0,1,0,0,0,0|2,0,1]=4 3920 B11R1.91 N=C(N)CCc1ccccc1 Amb6264312 [0,1,0,0,0,0|1,0,1]=3 3921 B11R1.91 N=C(N)CCc1ccccc1 Amb8630659 [0,1,0,0,0,0|1,0,1]=3 3922 B11R1.91 N=C(N)CCc1cccnc1 Amb2700054 [0,1,0,0,0,0|2,0,1]=4 3923 B11R1.91 N=C(N)COc1ccccc1 Amb2725000 [0,1,0,0,0,0|2,0,1]=4 3924 B11R1.91 N=C(N)COc1ccccc1 Amb33551040 [0,1,0,0,0,0|2,0,1]=4 3925 B11R1.91 N=C(N)CSc1ccccc1 Amb2726049 [0,1,0,0,0,0|2,0,1]=4 3926 B11R1.91 N=C(N)NCc1ccccc1 Amb22370878 [0,1,0,0,0,0|2,0,1]=4 3927 B11R1.91 N=C(N)NCc1ccccc1 Amb602728 [0,1,0,0,0,0|2,0,1]=4 3928 B11R1.91 N=C(N)NCc1ccccc1 Amb7990388 [0,1,0,0,0,0|2,0,1]=4 3929 B11R1.91 N=C(N)OCc1ccccc1 Amb6773970 [0,1,0,0,0,0|2,0,1]=4 3930 B11R1.91 N=C(N)SCc1ccccc1 Amb20676044 [0,1,0,0,0,0|2,0,1]=4 3931 B11R1.91 N=C(N)SCc1ccccc1 Amb2609643 [0,1,0,0,0,0|2,0,1]=4 3932 B11R1.91 N=C(N)SCc1ccccc1 Amb6296081 [0,1,0,0,0,0|2,0,1]=4 3933 B11R1.91 N=C([NH3+])SCc1ccccc1 Amb24113839 [0,1,0,0,0,0|2,0,1]=4 3934 B11R1.91 NC(=O)CC[n+]1ccccc1 Amb4010710 [0,1,0,0,0,0|1,0,2]=4 3935 B11R1.91 NC(=O)CCc1ccccc1 Amb2708677 [0,1,0,0,0,0|0,0,2]=3 3936 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,1,0,0,0,0|1,0,2]=4 3937 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,1,0,0,0,0|1,0,2]=4 3938 B11R1.91 NC(=O)CNc1ccccc1 Amb503275 [0,1,0,0,0,0|1,0,2]=4 3939 B11R1.91 NC(=O)COc1ccccc1 Amb6358162 [0,1,0,0,0,0|1,0,2]=4 3940 B11R1.91 NC(=O)CSc1ccccc1 Amb3686107 [0,1,0,0,0,0|1,0,2]=4 3941 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,1,0,0,0,0|1,0,2]=4 3942 B11R1.91 NC(=O)OCc1ccccc1 Amb4404204 [0,1,0,0,0,0|1,0,2]=4 3943 B11R1.91 NC(=O)SCc1ccccc1 Amb28342215 [0,1,0,0,0,0|1,0,2]=4 3944 B11R1.91 NC(=S)CCc1ccccc1 Amb1801109 [0,1,0,0,0,0|0,1,1]=3 3945 B11R1.91 NC(=S)CCc1ccccn1 Amb6752547 [0,1,0,0,0,0|1,1,1]=4 3946 B11R1.91 NC(=S)CCc1ccncc1 Amb17400216 [0,1,0,0,0,0|1,1,1]=4 3947 B11R1.91 NC(=S)COc1ccccc1 Amb1155418 [0,1,0,0,0,0|1,1,1]=4 3948 B11R1.91 NC(=S)CSc1ccccc1 Amb6572429 [0,1,0,0,0,0|1,1,1]=4 3949 B11R1.91 NC(=S)NCc1ccccc1 Amb1207502 [0,1,0,0,0,0|1,1,1]=4 3950 B11R1.91 NC(=S)NCc1ccccc1 Amb32644733 [0,1,0,0,0,0|1,1,1]=4 3951 B11R1.91 NC(=[NH2+])NCc1ccccc1 Amb22730911 [0,1,0,0,0,0|2,0,1]=4 3952 B11R1.91 NC(N)=NCc1ccccc1 Amb19374239 [0,1,0,0,0,0|2,0,1]=4 3953 B11R1.91 O=C(Cl)CCc1ccccc1 Amb2725506 [0,1,0,0,0,0|0,0,2]=3 3954 B11R1.91 O=C(Cl)CCc1ccccn1 Amb2696649 [0,1,0,0,0,0|1,0,2]=4 3955 B11R1.91 O=C(Cl)CCc1cccnc1 Amb24077445 [0,1,0,0,0,0|1,0,2]=4 3956 B11R1.91 O=C(Cl)COc1ccccc1 Amb844296 [0,1,0,0,0,0|1,0,2]=4 3957 B11R1.91 O=C(Cl)CSc1ccccc1 Amb3939230 [0,1,0,0,0,0|1,0,2]=4 3958 B11R1.91 O=C(Cl)OCc1ccccc1 Amb6296595 [0,1,0,0,0,0|1,0,2]=4 3959 B11R1.91 O=C(F)OCc1ccccc1 Amb27879062 [0,1,0,0,0,0|1,0,2]=4 3960 B11R1.91 O=C(O)C#Cc1ccccc1 Amb6364732 [0,1,0,0,0,0|0,0,3]=4 3961 B11R1.91 O=C(O)CC[n+]1ccccc1 Amb31127608 [0,1,0,0,0,0|1,0,1]=3 3962 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [0,1,0,0,0,0|0,0,1]=2 3963 B11R1.91 O=C(O)CCc1ccccn1 Amb2696647 [0,1,0,0,0,0|1,0,1]=3 3964 B11R1.91 O=C(O)CCc1ccccn1 Amb33532884 [0,1,0,0,0,0|1,0,1]=3 3965 B11R1.91 O=C(O)CCc1ccccn1 Amb8428105 [0,1,0,0,0,0|1,0,1]=3 3966 B11R1.91 O=C(O)CCc1cccnc1 Amb1214870 [0,1,0,0,0,0|1,0,1]=3 3967 B11R1.91 O=C(O)CCc1cccnn1 Amb23592184 [0,1,0,0,0,0|2,0,1]=4 3968 B11R1.91 O=C(O)CCc1ccncc1 Amb1090849 [0,1,0,0,0,0|1,0,1]=3 3969 B11R1.91 O=C(O)CCc1ccncn1 Amb33545203 [0,1,0,0,0,0|2,0,1]=4 3970 B11R1.91 O=C(O)CCc1ccnnc1 Amb22499259 [0,1,0,0,0,0|2,0,1]=4 3971 B11R1.91 O=C(O)CCc1cnccn1 Amb5846608 [0,1,0,0,0,0|2,0,1]=4 3972 B11R1.91 O=C(O)CCc1cncnc1 Amb18201449 [0,1,0,0,0,0|2,0,1]=4 3973 B11R1.91 O=C(O)CCc1ncccn1 Amb3997808 [0,1,0,0,0,0|2,0,1]=4 3974 B11R1.91 O=C(O)CNc1ccccc1 Amb840513 [0,1,0,0,0,0|1,0,1]=3 3975 B11R1.91 O=C(O)CNc1ccccn1 Amb33549202 [0,1,0,0,0,0|2,0,1]=4 3976 B11R1.91 O=C(O)CNc1ccccn1 Amb4025757 [0,1,0,0,0,0|2,0,1]=4 3977 B11R1.91 O=C(O)CNc1cccnc1 Amb17593781 [0,1,0,0,0,0|2,0,1]=4 3978 B11R1.91 O=C(O)CNc1cccnc1 Amb22035240 [0,1,0,0,0,0|2,0,1]=4 3979 B11R1.91 O=C(O)CNc1ccncc1 Amb33549238 [0,1,0,0,0,0|2,0,1]=4 3980 B11R1.91 O=C(O)CNc1ccncc1 Amb6271127 [0,1,0,0,0,0|2,0,1]=4 3981 B11R1.91 O=C(O)COc1ccccc1 Amb1213413 [0,1,0,0,0,0|1,0,1]=3 3982 B11R1.91 O=C(O)COc1ccccc1 Amb22274444 [0,1,0,0,0,0|1,0,1]=3 3983 B11R1.91 O=C(O)COc1ccccn1 Amb2610077 [0,1,0,0,0,0|2,0,1]=4 3984 B11R1.91 O=C(O)COc1ccccn1 Amb34912615 [0,1,0,0,0,0|2,0,1]=4 3985 B11R1.91 O=C(O)COc1cccnc1 Amb22738612 [0,1,0,0,0,0|2,0,1]=4 3986 B11R1.91 O=C(O)COc1cccnc1 Amb33552775 [0,1,0,0,0,0|2,0,1]=4 3987 B11R1.91 O=C(O)COc1cccnc1 Amb836933 [0,1,0,0,0,0|2,0,1]=4 3988 B11R1.91 O=C(O)COc1ccncc1 Amb18125520 [0,1,0,0,0,0|2,0,1]=4 3989 B11R1.91 O=C(O)CSc1ccccc1 Amb1038999 [0,1,0,0,0,0|1,0,1]=3 3990 B11R1.91 O=C(O)CSc1ccccn1 Amb1130490 [0,1,0,0,0,0|2,0,1]=4 3991 B11R1.91 O=C(O)CSc1ccncc1 Amb24053001 [0,1,0,0,0,0|2,0,1]=4 3992 B11R1.91 O=C(O)CSc1ccncc1 Amb3940121 [0,1,0,0,0,0|2,0,1]=4 3993 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [0,1,0,0,0,0|0,0,3]=4 3994 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [0,1,0,0,0,0|0,0,3]=4 3995 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [0,1,0,0,0,0|0,0,3]=4 3996 B11R1.91 O=C([O-])CCc1ccccn1 Amb32882485 [0,1,0,0,0,0|1,0,2]=4 3997 B11R1.91 O=C([O-])CNc1ccccc1 Amb21520409 [0,1,0,0,0,0|1,0,2]=4 3998 B11R1.91 O=C([O-])CNc1ccccc1 Amb33512953 [0,1,0,0,0,0|1,0,2]=4 3999 B11R1.91 O=C([O-])COc1ccccc1 Amb6366707 [0,1,0,0,0,0|1,0,2]=4 4000 B11R1.91 O=S(O)CCc1ccccc1 Amb27860522 [0,1,0,0,0,0|1,0,0]=2 4001 B11R1.91 O=S(O)\C=C\c1ccccc1 Amb32753683 [0,1,0,0,0,0|1,0,2]=4 4002 B11R1.91 O=S([O-])CCc1ccccc1 Amb26600239 [0,1,0,0,0,0|1,0,1]=3 4003 B11R1.91 O=S([O-])CCc1ccccn1 Amb26550273 [0,1,0,0,0,0|2,0,1]=4 4004 B11R1.91 O=S([O-])CCc1ccncc1 Amb25914729 [0,1,0,0,0,0|2,0,1]=4 4005 B11R1.91 O=S([O-])NCc1ccccc1 Amb22641608 [0,1,0,0,0,0|2,0,1]=4 4006 B11R1.91 O=[N+]([O-])CCc1ccccc1 Amb16192705 [0,1,0,0,0,0|1,0,1]=3 4007 B11R1.91 O=[N+]([O-])CCc1ccccn1 Amb17399924 [0,1,0,0,0,0|2,0,1]=4 4008 B11R1.91 O=[N+]([O-])CCc1cccnc1 Amb17399925 [0,1,0,0,0,0|2,0,1]=4 4009 B11R1.91 O=[N+]([O-])CCc1ccncc1 Amb17399926 [0,1,0,0,0,0|2,0,1]=4 4010 B11R1.91 O=[N+]([O-])NCc1ccccc1 Amb26560440 [0,1,0,0,0,0|2,0,1]=4 4011 B11R1.91 O=[PH](O)CCc1ccccc1 Amb27210683 [0,1,0,0,0,0|1,0,0]=2 4012 B11R1.91 OB(O)C#Cc1ccccc1 Amb25151882 [0,1,0,0,0,0|1,0,2]=4 4013 B11R1.91 OB(O)CCc1ccccc1 Amb2456045 [0,1,0,0,0,0|1,0,0]=2 4014 B11R1.91 OB(O)CCc1cccnc1 Amb25259201 [0,1,0,0,0,0|2,0,0]=3 4015 B11R1.91 OB(O)CCc1ccncc1 Amb28456641 [0,1,0,0,0,0|2,0,0]=3 4016 B11R1.91 OB(O)CSc1ccccc1 Amb27450702 [0,1,0,0,0,0|2,0,0]=3 4017 B11R1.91 OB(O)CSc1ccccn1 Amb22388601 [0,1,0,0,0,0|3,0,0]=4 4018 B11R1.91 OB(O)O[Hg]c1ccccc1 Amb22345921 [0,1,0,0,0,0|3,0,0]=4 4019 B11R1.91 OB(O)\C=C\c1ccccc1 Amb2447227 [0,1,0,0,0,0|1,0,2]=4 4020 B11R1.91 OC(Cl)CNc1ccccc1 Amb28291556 [0,1,0,0,0,0|1,0,0]=2 4021 B11R1.91 S=C(Cl)NCc1ccccc1 Amb28436734 [0,1,0,0,0,0|1,1,1]=4 4022 B11R1.91 S=C(S)NCc1ccccc1 Amb26372903 [0,1,0,0,0,0|1,1,1]=4 4023 B11R1.91 S=C([S-])NCc1ccccc1 Amb33249792 [0,1,0,0,0,0|1,1,1]=4 4024 B9R0.18 C=CCCC(=O)CCCO Amb28049909 [0,0,1,0,0,0|1,0,2]=4 4025 B9R0.18 C=CC\C=C(\C)CCCN Amb27865880 [0,0,1,0,0,0|1,0,2]=4 4026 B9R0.18 C=CC\C=C(\C)CCCO Amb27435598 [0,0,1,0,0,0|0,0,2]=3 4027 B9R0.18 CCCCC(=O)\C=C\C=O Amb27252353 [0,0,1,0,0,0|3,0,0]=4 4028 B9R0.40 CC\C=C(\C=O)CCCO Amb28399203 [0,0,1,0,0,0|1,0,2]=4 4029 B9R0.45 C=CCC\C=C\CCCO Amb27485402 [0,0,1,0,0,0|0,0,2]=3 4030 B9R0.45 C=CC\C=C/CCCCC Amb27423727 [0,0,1,0,0,0|1,0,2]=4 4031 B9R0.45 C=CC\C=C\CCCCC Amb27629643 [0,0,1,0,0,0|1,0,2]=4 4032 B9R0.45 C=CC\C=C\CCCCO Amb28050717 [0,0,1,0,0,0|0,0,2]=3 4033 B9R0.45 C=C\C=C/CCCCCC Amb22641680 [0,0,1,0,0,0|1,0,2]=4 4034 B9R0.45 C=C\C=C\CCCCCO Amb27242542 [0,0,1,0,0,0|0,0,2]=3 4035 B9R0.45 CCCC\C=C\C=C\CCl Amb27204911 [0,0,1,0,0,0|2,0,1]=4 4036 B9R0.45 CCCC\C=C\C=C\CO Amb27445447 [0,0,1,0,0,0|2,0,1]=4 4037 B9R0.45 C\C=C/C=C\CCCCC Amb22641684 [0,0,1,0,0,0|1,0,2]=4 4038 B9R0.45 C\C=C\C=C/C=C/CCC Amb22641677 [0,0,1,0,0,0|1,0,2]=4 4039 B9R0.45 C\C=C\C=C\C=C\CCBr Amb28053636 [0,0,1,0,0,0|1,0,2]=4 4040 B9R0.45 C\C=C\C=C\C=C\CCCl Amb28195306 [0,0,1,0,0,0|1,0,2]=4 4041 B9R0.45 C\C=C\C=C\CCCCBr Amb28137170 [0,0,1,0,0,0|1,0,2]=4 4042 B9R0.45 C\C=C\C\C=C\CCCO Amb27977518 [0,0,1,0,0,0|0,0,2]=3 4043 B11R2.1 BrC1=CCc2ccccc21 Amb26318514 [0,0,0,1,0,0|1,0,2]=4 4044 B11R2.1 BrC1CCc2ccccc21 Amb33528718 [0,0,0,1,0,0|1,0,0]=2 4045 B11R2.1 C=C1CCc2ccccc21 Amb24458532 [0,0,0,1,0,0|1,0,1]=3 4046 B11R2.1 C=C1CCc2cccnc21 Amb28289851 [0,0,0,1,0,0|2,0,1]=4 4047 B11R2.1 C=C1CNc2ccccc21 Amb27203251 [0,0,0,1,0,0|2,0,1]=4 4048 B11R2.1 CC1=CCc2ccccc21 Amb17778909 [0,0,0,1,0,0|1,0,2]=4 4049 B11R2.1 CC1C=Cc2ccccc21 Amb17844052 [0,0,0,1,0,0|1,0,2]=4 4050 B11R2.1 CC1CCc2ccccc21 Amb28050187 [0,0,0,1,0,0|1,0,0]=2 4051 B11R2.1 CC1CCc2cccnc21 Amb28050279 [0,0,0,1,0,0|2,0,0]=3 4052 B11R2.1 CC1CCc2nccnc21 Amb8392838 [0,0,0,1,0,0|3,0,0]=4 4053 B11R2.1 CC1CNc2ccccc21 Amb20241016 [0,0,0,1,0,0|2,0,0]=3 4054 B11R2.1 CC1CNc2ccccc21 Amb9197981 [0,0,0,1,0,0|2,0,0]=3 4055 B11R2.1 CC1CNc2cnccc21 Amb33742877 [0,0,0,1,0,0|3,0,0]=4 4056 B11R2.1 CC1COc2ccccc21 Amb27617216 [0,0,0,1,0,0|2,0,0]=3 4057 B11R2.1 CC1NCc2ccccc21 Amb20623497 [0,0,0,1,0,0|2,0,0]=3 4058 B11R2.1 CC1NCc2ccccc21 Amb32751285 [0,0,0,1,0,0|2,0,0]=3 4059 B11R2.1 CC1OCc2ccccc21 Amb25913589 [0,0,0,1,0,0|2,0,0]=3 4060 B11R2.1 CN1CCc2ccccc21 Amb15691717 [0,0,0,1,0,0|2,0,0]=3 4061 B11R2.1 CN1CCc2cccnc21 Amb28434380 [0,0,0,1,0,0|3,0,0]=4 4062 B11R2.1 CN1CCc2cnccc21 Amb25836379 [0,0,0,1,0,0|3,0,0]=4 4063 B11R2.1 C[C@@H]1NCc2ccccc21 Amb25353679 [0,0,0,1,0,0|2,0,0]=3 4064 B11R2.1 C[C@@H]1NCc2ccccc21 Amb32668091 [0,0,0,1,0,0|2,0,0]=3 4065 B11R2.1 C[C@H]1CNc2ccccc21 Amb27222357 [0,0,0,1,0,0|2,0,0]=3 4066 B11R2.1 C[C@H]1NCc2ccccc21 Amb28206726 [0,0,0,1,0,0|2,0,0]=3 4067 B11R2.1 C[C@H]1NCc2ccccc21 Amb32667894 [0,0,0,1,0,0|2,0,0]=3 4068 B11R2.1 ClC1CCc2ccccc21 Amb8630739 [0,0,0,1,0,0|1,0,0]=2 4069 B11R2.1 ClC1CCc2cccnc21 Amb28128210 [0,0,0,1,0,0|2,0,0]=3 4070 B11R2.1 ClC1COc2ccccc21 Amb27233528 [0,0,0,1,0,0|2,0,0]=3 4071 B11R2.1 FC1NCc2ccccc21 Amb28197417 [0,0,0,1,0,0|2,0,0]=3 4072 B11R2.1 IC1CCc2cccnc21 Amb32685580 [0,0,0,1,0,0|2,0,0]=3 4073 B11R2.1 IC1N=Nc2ccccc21 Amb26516914 [0,0,0,1,0,0|3,0,0]=4 4074 B11R2.1 N=C1NCc2ccccc21 Amb7174277 [0,0,0,1,0,0|2,0,1]=4 4075 B11R2.1 NC1=NCc2ccccc21 Amb534105 [0,0,0,1,0,0|2,0,1]=4 4076 B11R2.1 NC1C=Cc2ccccc21 Amb17470367 [0,0,0,1,0,0|1,0,2]=4 4077 B11R2.1 NC1CCc2ccccc21 Amb1158023 [0,0,0,1,0,0|1,0,0]=2 4078 B11R2.1 NC1CCc2ccccc21 Amb16233857 [0,0,0,1,0,0|1,0,0]=2 4079 B11R2.1 NC1CCc2ccccc21 Amb24078253 [0,0,0,1,0,0|1,0,0]=2 4080 B11R2.1 NC1CCc2ccccc21 Amb9677422 [0,0,0,1,0,0|1,0,0]=2 4081 B11R2.1 NC1CCc2cccnc21 Amb22436792 [0,0,0,1,0,0|2,0,0]=3 4082 B11R2.1 NC1CCc2ccncc21 Amb24738463 [0,0,0,1,0,0|2,0,0]=3 4083 B11R2.1 NC1CCc2cnccc21 Amb22900659 [0,0,0,1,0,0|2,0,0]=3 4084 B11R2.1 NC1CCc2cncnc21 Amb18203097 [0,0,0,1,0,0|3,0,0]=4 4085 B11R2.1 NC1CCc2ncccc21 Amb21858247 [0,0,0,1,0,0|2,0,0]=3 4086 B11R2.1 NC1CCc2ncccc21 Amb22490383 [0,0,0,1,0,0|2,0,0]=3 4087 B11R2.1 NC1COc2ccccc21 Amb13951643 [0,0,0,1,0,0|2,0,0]=3 4088 B11R2.1 NC1COc2ccccc21 Amb2383232 [0,0,0,1,0,0|2,0,0]=3 4089 B11R2.1 NC1COc2cccnc21 Amb27628441 [0,0,0,1,0,0|3,0,0]=4 4090 B11R2.1 NC1COc2ccncc21 Amb27839161 [0,0,0,1,0,0|3,0,0]=4 4091 B11R2.1 NC1COc2cnccc21 Amb27251376 [0,0,0,1,0,0|3,0,0]=4 4092 B11R2.1 NC1COc2ncccc21 Amb25324317 [0,0,0,1,0,0|3,0,0]=4 4093 B11R2.1 NC1CSc2ccccc21 Amb33531788 [0,0,0,1,0,0|2,0,0]=3 4094 B11R2.1 NN1CCc2ccccc21 Amb2691266 [0,0,0,1,0,0|2,0,0]=3 4095 B11R2.1 NN1CCc2ccccc21 Amb836793 [0,0,0,1,0,0|2,0,0]=3 4096 B11R2.1 N[C@@H]1CCc2ccccc21 Amb16233854 [0,0,0,1,0,0|1,0,0]=2 4097 B11R2.1 N[C@@H]1CCc2ccccc21 Amb3940189 [0,0,0,1,0,0|1,0,0]=2 4098 B11R2.1 N[C@@H]1CCc2cccnc21 Amb22748121 [0,0,0,1,0,0|2,0,0]=3 4099 B11R2.1 N[C@@H]1CCc2cnccc21 Amb26498012 [0,0,0,1,0,0|2,0,0]=3 4100 B11R2.1 N[C@@H]1CCc2ncccc21 Amb27461409 [0,0,0,1,0,0|2,0,0]=3 4101 B11R2.1 N[C@@H]1COc2ccccc21 Amb23440344 [0,0,0,1,0,0|2,0,0]=3 4102 B11R2.1 N[C@@H]1COc2ccccc21 Amb24426876 [0,0,0,1,0,0|2,0,0]=3 4103 B11R2.1 N[C@@H]1COc2ncccc21 Amb28411341 [0,0,0,1,0,0|3,0,0]=4 4104 B11R2.1 N[C@@H]1CSc2ccccc21 Amb27192844 [0,0,0,1,0,0|2,0,0]=3 4105 B11R2.1 N[C@H]1CCc2ccccc21 Amb20242239 [0,0,0,1,0,0|1,0,0]=2 4106 B11R2.1 N[C@H]1CCc2ccccc21 Amb3940190 [0,0,0,1,0,0|1,0,0]=2 4107 B11R2.1 N[C@H]1CCc2cccnc21 Amb26398859 [0,0,0,1,0,0|2,0,0]=3 4108 B11R2.1 N[C@H]1CCc2cccnc21 Amb33872522 [0,0,0,1,0,0|2,0,0]=3 4109 B11R2.1 N[C@H]1CCc2cnccc21 Amb27173220 [0,0,0,1,0,0|2,0,0]=3 4110 B11R2.1 N[C@H]1COc2ccccc21 Amb25147252 [0,0,0,1,0,0|2,0,0]=3 4111 B11R2.1 N[C@H]1COc2ccccc21 Amb33813746 [0,0,0,1,0,0|2,0,0]=3 4112 B11R2.1 N[C@H]1COc2ccccc21 Amb33872471 [0,0,0,1,0,0|2,0,0]=3 4113 B11R2.1 N[C@H]1CSc2ccccc21 Amb27487071 [0,0,0,1,0,0|2,0,0]=3 4114 B11R2.1 O=C1CCc2ccccc21 Amb6458950 [0,0,0,1,0,0|0,0,2]=3 4115 B11R2.1 O=C1CCc2cccnc21 Amb10602809 [0,0,0,1,0,0|1,0,2]=4 4116 B11R2.1 O=C1CCc2ccncc21 Amb22491415 [0,0,0,1,0,0|1,0,2]=4 4117 B11R2.1 O=C1CCc2ccncc21 Amb5719663 [0,0,0,1,0,0|1,0,2]=4 4118 B11R2.1 O=C1CCc2cnccc21 Amb22235532 [0,0,0,1,0,0|1,0,2]=4 4119 B11R2.1 O=C1CCc2cnccc21 Amb5719882 [0,0,0,1,0,0|1,0,2]=4 4120 B11R2.1 O=C1CCc2ncccc21 Amb22275948 [0,0,0,1,0,0|1,0,2]=4 4121 B11R2.1 O=C1CCc2ncccc21 Amb2695094 [0,0,0,1,0,0|1,0,2]=4 4122 B11R2.1 O=C1CNc2ccccc21 Amb17593399 [0,0,0,1,0,0|1,0,2]=4 4123 B11R2.1 O=C1COc2ccccc21 Amb33534383 [0,0,0,1,0,0|1,0,2]=4 4124 B11R2.1 O=C1CSc2ccccc21 Amb4062421 [0,0,0,1,0,0|1,0,2]=4 4125 B11R2.1 O=C1NCc2ccccc21 Amb773532 [0,0,0,1,0,0|1,0,2]=4 4126 B11R2.1 O=C1OCc2ccccc21 Amb2610613 [0,0,0,1,0,0|1,0,2]=4 4127 B11R2.1 O=C1SCc2ccccc21 Amb2421358 [0,0,0,1,0,0|1,0,2]=4 4128 B11R2.1 OB1OCc2ccccc21 Amb1027843 [0,0,0,1,0,0|2,0,0]=3 4129 B11R2.1 OB1OCc2ccncc21 Amb26317440 [0,0,0,1,0,0|3,0,0]=4 4130 B11R2.1 OC1C=Cc2ccccc21 Amb24479258 [0,0,0,1,0,0|0,0,2]=3 4131 B11R2.1 OC1CCc2ccccc21 Amb9703194 [0,0,0,1,0,0|0,0,0]=1 4132 B11R2.1 OC1CCc2cccnc21 Amb19958431 [0,0,0,1,0,0|1,0,0]=2 4133 B11R2.1 OC1CCc2ncccc21 Amb16231393 [0,0,0,1,0,0|1,0,0]=2 4134 B11R2.1 OC1COc2ccccc21 Amb33548779 [0,0,0,1,0,0|1,0,0]=2 4135 B11R2.1 OC1COc2ccncc21 Amb27598583 [0,0,0,1,0,0|2,0,0]=3 4136 B11R2.1 OC1CSc2ccccc21 Amb27174921 [0,0,0,1,0,0|1,0,0]=2 4137 B11R2.1 OC1N=Cc2ccccc21 Amb27631731 [0,0,0,1,0,0|1,0,1]=3 4138 B11R2.1 OC1OCc2ccccc21 Amb21858794 [0,0,0,1,0,0|1,0,0]=2 4139 B11R2.1 OC1OCc2ncccc21 Amb27853463 [0,0,0,1,0,0|2,0,0]=3 4140 B11R2.1 O[C@@H]1CCc2ccccc21 Amb13953023 [0,0,0,1,0,0|0,0,0]=1 4141 B11R2.1 O[C@@H]1CCc2cnccc21 Amb33715207 [0,0,0,1,0,0|1,0,0]=2 4142 B11R2.1 O[C@@H]1CCc2ncccc21 Amb24511690 [0,0,0,1,0,0|1,0,0]=2 4143 B11R2.1 O[C@@H]1COc2ccccc21 Amb27191568 [0,0,0,1,0,0|1,0,0]=2 4144 B11R2.1 O[C@@H]1CSc2ccccc21 Amb28315859 [0,0,0,1,0,0|1,0,0]=2 4145 B11R2.1 O[C@H]1CCc2ccccc21 Amb13953022 [0,0,0,1,0,0|0,0,0]=1 4146 B11R2.1 O[C@H]1CCc2cccnc21 Amb26350485 [0,0,0,1,0,0|1,0,0]=2 4147 B11R2.1 O[C@H]1CCc2ncccc21 Amb26530510 [0,0,0,1,0,0|1,0,0]=2 4148 B11R2.1 O[C@H]1COc2ccccc21 Amb27946875 [0,0,0,1,0,0|1,0,0]=2 4149 B11R2.1 Oc1coc2ccccc12 Amb24097480 [0,0,0,1,0,0|1,0,2]=4 4150 B11R2.1 Oc1csc2ccccc12 Amb4009443 [0,0,0,1,0,0|1,0,2]=4 4151 B11R2.1 Oc1noc2ccccc12 Amb2725155 [0,0,0,1,0,0|2,0,1]=4 4152 B11R2.1 Oc1nsc2ccccc12 Amb22166851 [0,0,0,1,0,0|2,0,1]=4 4153 B11R2.1 On1ccc2ccccc21 Amb27243885 [0,0,0,1,0,0|1,0,2]=4 4154 B11R2.1 On1cnc2ccccc21 Amb28318444 [0,0,0,1,0,0|2,0,1]=4 4155 B11R2.1 On1nnc2ccccc21 Amb1151367 [0,0,0,1,0,0|3,0,0]=4 4156 B11R2.1 On1nnc2ccccc21 Amb2719788 [0,0,0,1,0,0|3,0,0]=4 4157 B11R2.1 S=C1CNc2ccccc21 Amb27791107 [0,0,0,1,0,0|1,1,1]=4 4158 B11R2.1 SC1CCc2ccccc21 Amb9208023 [0,0,0,1,0,0|0,1,0]=2 4159 B11R2.1 SC1CCc2cccnc21 Amb24071779 [0,0,0,1,0,0|1,1,0]=3 4160 B11R2.1 SC1CSc2ccccc21 Amb32788664 [0,0,0,1,0,0|1,1,0]=3 4161 B11R2.1 [NH3+]C1=NCc2ccccc21 Amb4239931 [0,0,0,1,0,0|2,0,1]=4 4162 B11R2.4 BrC1CC1c2ccccc2 Amb23454923 [0,0,0,1,0,0|1,0,0]=2 4163 B11R2.4 BrC1CC1c2ccncc2 Amb27460923 [0,0,0,1,0,0|2,0,0]=3 4164 B11R2.4 BrC1CC1c2cnccn2 Amb28314093 [0,0,0,1,0,0|3,0,0]=4 4165 B11R2.4 BrC1C[C@H]1c2ccccc2 Amb27392259 [0,0,0,1,0,0|1,0,0]=2 4166 B11R2.4 Br[C@@H]1C[C@@H]1c2ccccc2 Amb28383883 [0,0,0,1,0,0|1,0,0]=2 4167 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 Amb25791511 [0,0,0,1,0,0|1,0,0]=2 4168 B11R2.4 Br[C@@H]1C[C@H]1c2cccnc2 Amb27190974 [0,0,0,1,0,0|2,0,0]=3 4169 B11R2.4 CC1CC1c2ccncc2 Amb2694644 [0,0,0,1,0,0|2,0,0]=3 4170 B11R2.4 CC1OC1c2ccccc2 Amb1129298 [0,0,0,1,0,0|2,0,0]=3 4171 B11R2.4 CN1C[C@@H]1c2ccccc2 Amb33621244 [0,0,0,1,0,0|2,0,0]=3 4172 B11R2.4 CN1C[C@H]1c2ccccc2 Amb33621243 [0,0,0,1,0,0|2,0,0]=3 4173 B11R2.4 C[C@@H]1O[C@H]1c2ccccc2 Amb22367029 [0,0,0,1,0,0|2,0,0]=3 4174 B11R2.4 C[C@H]1O[C@@H]1c2ccccc2 Amb22224838 [0,0,0,1,0,0|2,0,0]=3 4175 B11R2.4 Cl[C@@H]1O[C@H]1c2ccccc2 Amb27845481 [0,0,0,1,0,0|2,0,0]=3 4176 B11R2.4 Cl[C@H]1C[C@@H]1c2ccccc2 Amb28142329 [0,0,0,1,0,0|1,0,0]=2 4177 B11R2.4 Cl[C@H]1O[C@H]1c2ccccc2 Amb27252240 [0,0,0,1,0,0|2,0,0]=3 4178 B11R2.4 NC1CC1c2ccccc2 Amb22729761 [0,0,0,1,0,0|1,0,0]=2 4179 B11R2.4 NC1CC1c2ccccc2 Amb33548983 [0,0,0,1,0,0|1,0,0]=2 4180 B11R2.4 NC1CC1c2ccccc2 Amb9284785 [0,0,0,1,0,0|1,0,0]=2 4181 B11R2.4 NC1CC1c2ccccn2 Amb9677173 [0,0,0,1,0,0|2,0,0]=3 4182 B11R2.4 NC1CC1c2cccnc2 Amb33447000 [0,0,0,1,0,0|2,0,0]=3 4183 B11R2.4 NC1CC1c2cccnc2 Amb9677232 [0,0,0,1,0,0|2,0,0]=3 4184 B11R2.4 NC1CC1c2ccncc2 Amb9677222 [0,0,0,1,0,0|2,0,0]=3 4185 B11R2.4 NC1CC1c2ccncn2 Amb27955658 [0,0,0,1,0,0|3,0,0]=4 4186 B11R2.4 NC1CC1c2cnccn2 Amb33360008 [0,0,0,1,0,0|3,0,0]=4 4187 B11R2.4 NC1CC1c2cncnc2 Amb26944302 [0,0,0,1,0,0|3,0,0]=4 4188 B11R2.4 NC1CC1c2ncccn2 Amb33270683 [0,0,0,1,0,0|3,0,0]=4 4189 B11R2.4 NN1CC1c2ccccc2 Amb17593419 [0,0,0,1,0,0|2,0,0]=3 4190 B11R2.4 N[C@@H]1CC1c2ccccc2 Amb25077262 [0,0,0,1,0,0|1,0,0]=2 4191 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 Amb24183509 [0,0,0,1,0,0|1,0,0]=2 4192 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 Amb24579866 [0,0,0,1,0,0|1,0,0]=2 4193 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 Amb22231696 [0,0,0,1,0,0|1,0,0]=2 4194 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 Amb2720223 [0,0,0,1,0,0|1,0,0]=2 4195 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 Amb8387302 [0,0,0,1,0,0|1,0,0]=2 4196 B11R2.4 N[C@@H]1C[C@H]1c2ccccn2 Amb33361299 [0,0,0,1,0,0|2,0,0]=3 4197 B11R2.4 N[C@@H]1C[C@H]1c2cccnc2 Amb26947679 [0,0,0,1,0,0|2,0,0]=3 4198 B11R2.4 N[C@@H]1C[C@H]1c2cccnc2 Amb33473670 [0,0,0,1,0,0|2,0,0]=3 4199 B11R2.4 N[C@@H]1C[C@H]1c2ccncc2 Amb33380669 [0,0,0,1,0,0|2,0,0]=3 4200 B11R2.4 N[C@@H]1C[C@H]1c2ccncn2 Amb33269038 [0,0,0,1,0,0|3,0,0]=4 4201 B11R2.4 N[C@@H]1C[C@H]1c2cnccn2 Amb33360018 [0,0,0,1,0,0|3,0,0]=4 4202 B11R2.4 N[C@@H]1C[C@H]1c2cncnc2 Amb33465660 [0,0,0,1,0,0|3,0,0]=4 4203 B11R2.4 N[C@@H]1C[C@H]1c2ncccn2 Amb33270684 [0,0,0,1,0,0|3,0,0]=4 4204 B11R2.4 N[C@H]1CC1c2ccccc2 Amb34916480 [0,0,0,1,0,0|1,0,0]=2 4205 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 Amb22735917 [0,0,0,1,0,0|1,0,0]=2 4206 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 Amb597420 [0,0,0,1,0,0|1,0,0]=2 4207 B11R2.4 N[C@H]1C[C@@H]1c2cccnc2 Amb24604839 [0,0,0,1,0,0|2,0,0]=3 4208 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 Amb33806281 [0,0,0,1,0,0|1,0,0]=2 4209 B11R2.4 OC1CC1c2ccccc2 Amb17593413 [0,0,0,1,0,0|0,0,0]=1 4210 B11R2.4 O[C@@H]1C[C@@H]1c2ccccc2 Amb27486613 [0,0,0,1,0,0|0,0,0]=1 4211 B11R2.4 O[C@H]1C[C@H]1c2ccccc2 Amb27972540 [0,0,0,1,0,0|0,0,0]=1 4212 B11R2.20 C1=CC2=CCCC=C2C=N1 Amb24612787 [0,0,0,1,0,0|2,0,1]=4 4213 B11R2.20 C1=CCc2ccccc2C1 Amb8392372 [0,0,0,1,0,0|1,0,2]=4 4214 B11R2.20 C1=COc2ccccc2N1 Amb27828258 [0,0,0,1,0,0|1,0,2]=4 4215 B11R2.20 C1=COc2cccnc2C1 Amb27860347 [0,0,0,1,0,0|1,0,2]=4 4216 B11R2.20 C1=COc2ccncc2C1 Amb28050276 [0,0,0,1,0,0|1,0,2]=4 4217 B11R2.20 C1=Cc2ccccc2CC1 Amb1162229 [0,0,0,1,0,0|1,0,1]=3 4218 B11R2.20 C1=Cc2ccccc2CN1 Amb25999205 [0,0,0,1,0,0|2,0,1]=4 4219 B11R2.20 C1=Cc2ccccc2CO1 Amb27473263 [0,0,0,1,0,0|2,0,1]=4 4220 B11R2.20 C1=Cc2ccccc2NC1 Amb17593383 [0,0,0,1,0,0|1,0,2]=4 4221 B11R2.20 C1=Cc2ccccc2OC1 Amb17844055 [0,0,0,1,0,0|0,0,2]=3 4222 B11R2.20 C1=Cc2ccccc2SC1 Amb27494059 [0,0,0,1,0,0|0,1,2]=4 4223 B11R2.20 C1=NCC2=CCCCC2=C1 Amb28050179 [0,0,0,1,0,0|2,0,1]=4 4224 B11R2.20 C1=NCCc2ccccc21 Amb10603654 [0,0,0,1,0,0|2,0,0]=3 4225 B11R2.20 C1=NCOc2ccncc21 Amb27945623 [0,0,0,1,0,0|2,0,1]=4 4226 B11R2.20 C1=NCOc2cnccc21 Amb27838869 [0,0,0,1,0,0|2,0,1]=4 4227 B11R2.20 C1=NCc2ccccc2N1 Amb19374085 [0,0,0,1,0,0|2,0,1]=4 4228 B11R2.20 C1=Nc2ccccc2NC1 Amb10174686 [0,0,0,1,0,0|2,0,1]=4 4229 B11R2.20 C1=Nc2ccccc2OC1 Amb28456926 [0,0,0,1,0,0|1,0,1]=3 4230 B11R2.20 C1=Nc2ccccc2SC1 Amb10976509 [0,0,0,1,0,0|1,1,1]=4 4231 B11R2.20 c1cc2c(cn1)CCCC2 Amb5399109 [0,0,0,1,0,0|2,0,0]=3 4232 B11R2.20 c1cc2c(cn1)CCCN2 Amb9174240 [0,0,0,1,0,0|2,0,0]=3 4233 B11R2.20 c1cc2c(cn1)CCCO2 Amb13889664 [0,0,0,1,0,0|1,0,0]=2 4234 B11R2.20 c1cc2c(cn1)CCNC2 Amb18124435 [0,0,0,1,0,0|3,0,0]=4 4235 B11R2.20 c1cc2c(cn1)CCNC2 Amb20075877 [0,0,0,1,0,0|3,0,0]=4 4236 B11R2.20 c1cc2c(cn1)CCNC2 Amb22752076 [0,0,0,1,0,0|3,0,0]=4 4237 B11R2.20 c1cc2c(cn1)CCOC2 Amb26845927 [0,0,0,1,0,0|3,0,0]=4 4238 B11R2.20 c1cc2c(cn1)CNCC2 Amb19958148 [0,0,0,1,0,0|3,0,0]=4 4239 B11R2.20 c1cc2c(cn1)CNCC2 Amb21858409 [0,0,0,1,0,0|3,0,0]=4 4240 B11R2.20 c1cc2c(cn1)CNCC2 Amb8011539 [0,0,0,1,0,0|3,0,0]=4 4241 B11R2.20 c1cc2c(cn1)COCC2 Amb28255495 [0,0,0,1,0,0|3,0,0]=4 4242 B11R2.20 c1cc2c(cn1)NCCC2 Amb21864834 [0,0,0,1,0,0|2,0,0]=3 4243 B11R2.20 c1cc2c(cn1)NCCN2 Amb20622788 [0,0,0,1,0,0|3,0,0]=4 4244 B11R2.20 c1cc2c(cn1)NCCO2 Amb20622566 [0,0,0,1,0,0|2,0,0]=3 4245 B11R2.20 c1cc2c(cn1)NCCO2 Amb28555496 [0,0,0,1,0,0|2,0,0]=3 4246 B11R2.20 c1cc2c(cn1)NCCO2 Amb32661585 [0,0,0,1,0,0|2,0,0]=3 4247 B11R2.20 c1cc2c(cn1)NCCS2 Amb20667582 [0,0,0,1,0,0|2,1,0]=4 4248 B11R2.20 c1cc2c(cn1)OCCC2 Amb27618518 [0,0,0,1,0,0|1,0,0]=2 4249 B11R2.20 c1cc2c(cn1)OCCN2 Amb13890252 [0,0,0,1,0,0|2,0,0]=3 4250 B11R2.20 c1cc2c(cn1)SCCN2 Amb27972680 [0,0,0,1,0,0|2,1,0]=4 4251 B11R2.20 c1cc2c(nn1)CCCC2 Amb22752027 [0,0,0,1,0,0|3,0,0]=4 4252 B11R2.20 c1cc2c(nn1)NCCO2 Amb27965757 [0,0,0,1,0,0|3,0,0]=4 4253 B11R2.20 c1ccc2c(c1)CCCC2 Amb6608921 [0,0,0,1,0,0|1,0,0]=2 4254 B11R2.20 c1ccc2c(c1)CCCN2 Amb1869492 [0,0,0,1,0,0|1,0,0]=2 4255 B11R2.20 c1ccc2c(c1)CCCO2 Amb9677672 [0,0,0,1,0,0|0,0,0]=1 4256 B11R2.20 c1ccc2c(c1)CCNC2 Amb2383348 [0,0,0,1,0,0|2,0,0]=3 4257 B11R2.20 c1ccc2c(c1)CCNC2 Amb2720224 [0,0,0,1,0,0|2,0,0]=3 4258 B11R2.20 c1ccc2c(c1)CCNS2 Amb27421368 [0,0,0,1,0,0|1,1,0]=3 4259 B11R2.20 c1ccc2c(c1)CCOC2 Amb2725513 [0,0,0,1,0,0|2,0,0]=3 4260 B11R2.20 c1ccc2c(c1)CCSO2 Amb27965466 [0,0,0,1,0,0|1,0,0]=2 4261 B11R2.20 c1ccc2c(c1)CNCN2 Amb25147572 [0,0,0,1,0,0|2,0,0]=3 4262 B11R2.20 c1ccc2c(c1)CNNC2 Amb22497223 [0,0,0,1,0,0|3,0,0]=4 4263 B11R2.20 c1ccc2c(c1)CNNC2 Amb28985797 [0,0,0,1,0,0|3,0,0]=4 4264 B11R2.20 c1ccc2c(c1)CNNC2 Amb32661310 [0,0,0,1,0,0|3,0,0]=4 4265 B11R2.20 c1ccc2c(c1)CNOC2 Amb25997729 [0,0,0,1,0,0|3,0,0]=4 4266 B11R2.20 c1ccc2c(c1)CNOC2 Amb28555648 [0,0,0,1,0,0|3,0,0]=4 4267 B11R2.20 c1ccc2c(c1)CSCN2 Amb27412411 [0,0,0,1,0,0|2,0,0]=3 4268 B11R2.20 c1ccc2c(c1)CSSC2 Amb25839327 [0,0,0,1,0,0|3,0,0]=4 4269 B11R2.20 c1ccc2c(c1)NCCN2 Amb6537963 [0,0,0,1,0,0|2,0,0]=3 4270 B11R2.20 c1ccc2c(c1)NCCO2 Amb2371970 [0,0,0,1,0,0|1,0,0]=2 4271 B11R2.20 c1ccc2c(c1)NCCO2 Amb29844650 [0,0,0,1,0,0|1,0,0]=2 4272 B11R2.20 c1ccc2c(c1)NCCS2 Amb1104964 [0,0,0,1,0,0|1,1,0]=3 4273 B11R2.20 c1ccc2c(c1)OCCO2 Amb2722914 [0,0,0,1,0,0|1,0,0]=2 4274 B11R2.20 c1ccc2c(c1)OCCS2 Amb19374957 [0,0,0,1,0,0|1,0,0]=2 4275 B11R2.20 c1ccc2c(c1)SCCS2 Amb2781726 [0,0,0,1,0,0|1,1,0]=3 4276 B11R2.20 c1cnc2c(c1)CCCC2 Amb2390042 [0,0,0,1,0,0|2,0,0]=3 4277 B11R2.20 c1cnc2c(c1)CCCN2 Amb15692065 [0,0,0,1,0,0|2,0,0]=3 4278 B11R2.20 c1cnc2c(c1)CCCO2 Amb22753924 [0,0,0,1,0,0|1,0,0]=2 4279 B11R2.20 c1cnc2c(c1)CCCS2 Amb27442141 [0,0,0,1,0,0|1,1,0]=3 4280 B11R2.20 c1cnc2c(c1)CCNC2 Amb21858385 [0,0,0,1,0,0|3,0,0]=4 4281 B11R2.20 c1cnc2c(c1)CCNC2 Amb22436767 [0,0,0,1,0,0|3,0,0]=4 4282 B11R2.20 c1cnc2c(c1)CCNC2 Amb8011540 [0,0,0,1,0,0|3,0,0]=4 4283 B11R2.20 c1cnc2c(c1)CNCC2 Amb10608993 [0,0,0,1,0,0|3,0,0]=4 4284 B11R2.20 c1cnc2c(c1)CNCC2 Amb19373278 [0,0,0,1,0,0|3,0,0]=4 4285 B11R2.20 c1cnc2c(c1)CNCC2 Amb19958501 [0,0,0,1,0,0|3,0,0]=4 4286 B11R2.20 c1cnc2c(c1)CNCC2 Amb22002369 [0,0,0,1,0,0|3,0,0]=4 4287 B11R2.20 c1cnc2c(c1)CNCC2 Amb6892842 [0,0,0,1,0,0|3,0,0]=4 4288 B11R2.20 c1cnc2c(c1)NCCC2 Amb488375 [0,0,0,1,0,0|2,0,0]=3 4289 B11R2.20 c1cnc2c(c1)NCCN2 Amb10603351 [0,0,0,1,0,0|3,0,0]=4 4290 B11R2.20 c1cnc2c(c1)NCCO2 Amb13890253 [0,0,0,1,0,0|2,0,0]=3 4291 B11R2.20 c1cnc2c(c1)NCCS2 Amb19148121 [0,0,0,1,0,0|2,1,0]=4 4292 B11R2.20 c1cnc2c(c1)OCCC2 Amb13889663 [0,0,0,1,0,0|1,0,0]=2 4293 B11R2.20 c1cnc2c(c1)OCCN2 Amb2724103 [0,0,0,1,0,0|2,0,0]=3 4294 B11R2.20 c1cnc2c(c1)OCCO2 Amb13889670 [0,0,0,1,0,0|2,0,0]=3 4295 B11R2.20 c1cnc2c(n1)CCCC2 Amb2724356 [0,0,0,1,0,0|3,0,0]=4 4296 B11R2.20 c1cnc2c(n1)CCCN2 Amb18832490 [0,0,0,1,0,0|3,0,0]=4 4297 B11R2.20 c1ncc2c(n1)CCCC2 Amb19515985 [0,0,0,1,0,0|3,0,0]=4 4298 B11R2.20 c1ncc2c(n1)CCCN2 Amb18203099 [0,0,0,1,0,0|3,0,0]=4 4299 B11R2.20 c1ncc2c(n1)NCCC2 Amb18832493 [0,0,0,1,0,0|3,0,0]=4 4300 B11R2.238 C(=C1CC1)c2ccccc2 Amb19515480 [0,0,0,1,0,0|1,0,2]=4 4301 B11R2.238 C1=C(Cc2ccccc2)C1 Amb27421346 [0,0,0,1,0,0|1,0,1]=3 4302 B11R2.238 c1cc(CC2CC2)ccn1 Amb28050219 [0,0,0,1,0,0|2,0,0]=3 4303 B11R2.238 c1cc(CC2CC2)ncn1 Amb33070126 [0,0,0,1,0,0|3,0,0]=4 4304 B11R2.238 c1cc(CC2CO2)ccn1 Amb24677560 [0,0,0,1,0,0|1,0,0]=2 4305 B11R2.238 c1cc(CC2CO2)ncn1 Amb33268585 [0,0,0,1,0,0|2,0,0]=3 4306 B11R2.238 c1cc(NC2CC2)ccn1 Amb6625922 [0,0,0,1,0,0|3,0,0]=4 4307 B11R2.238 c1ccc(CC2CC2)cc1 Amb22490220 [0,0,0,1,0,0|1,0,0]=2 4308 B11R2.238 c1ccc(CC2CO2)cc1 Amb3940775 [0,0,0,1,0,0|0,0,0]=1 4309 B11R2.238 c1ccc(CC2CO2)nc1 Amb24649901 [0,0,0,1,0,0|1,0,0]=2 4310 B11R2.238 c1ccc(C[C@@H]2CO2)cc1 Amb25916397 [0,0,0,1,0,0|0,0,0]=1 4311 B11R2.238 c1ccc(C[C@H]2CN2)cc1 Amb15690958 [0,0,0,1,0,0|1,0,0]=2 4312 B11R2.238 c1ccc(C[C@H]2CO2)cc1 Amb27150158 [0,0,0,1,0,0|0,0,0]=1 4313 B11R2.238 c1ccc(NC2CC2)cc1 Amb18270529 [0,0,0,1,0,0|2,0,0]=3 4314 B11R2.238 c1ccc(NC2CC2)cc1 Amb32663098 [0,0,0,1,0,0|2,0,0]=3 4315 B11R2.238 c1ccc(OC2CC2)nc1 Amb25697005 [0,0,0,1,0,0|3,0,0]=4 4316 B11R2.238 c1ccc(SC2CC2)cc1 Amb8514420 [0,0,0,1,0,0|2,0,0]=3 4317 B11R2.238 c1cnc(CC2CO2)cn1 Amb28240224 [0,0,0,1,0,0|2,0,0]=3 4318 B11R2.238 c1cnc(CC2CO2)nc1 Amb33270384 [0,0,0,1,0,0|2,0,0]=3 4319 B11R2.238 c1cncc(CC2CO2)c1 Amb28397057 [0,0,0,1,0,0|1,0,0]=2 4320 B11R2.238 c1cncc(CN2CC2)c1 Amb24085109 [0,0,0,1,0,0|3,0,0]=4 4321 B11R2.238 c1cncc(NC2CC2)c1 Amb18270523 [0,0,0,1,0,0|3,0,0]=4 4322 B11R2.238 c1cncc(OC2CC2)c1 Amb28119516 [0,0,0,1,0,0|3,0,0]=4 4323 B11R2.238 c1ncc(CC2CO2)cn1 Amb24426064 [0,0,0,1,0,0|2,0,0]=3 4324 B11R2.239 C1=C(c2cccnc2)CC1 Amb32668896 [0,0,0,1,0,0|2,0,1]=4 4325 B11R2.239 c1cc(C2CCC2)ccn1 Amb22898826 [0,0,0,1,0,0|2,0,0]=3 4326 B11R2.239 c1cc(C2CCC2)ncn1 Amb33070125 [0,0,0,1,0,0|3,0,0]=4 4327 B11R2.239 c1cc(C2CCN2)ccn1 Amb26960403 [0,0,0,1,0,0|2,0,0]=3 4328 B11R2.239 c1cc(C2CCN2)ncn1 Amb25274242 [0,0,0,1,0,0|3,0,0]=4 4329 B11R2.239 c1cc(C2CNC2)ccn1 Amb19516821 [0,0,0,1,0,0|3,0,0]=4 4330 B11R2.239 c1cc(C2CNC2)ccn1 Amb20620350 [0,0,0,1,0,0|3,0,0]=4 4331 B11R2.239 c1cc(C2COC2)ccn1 Amb27623779 [0,0,0,1,0,0|3,0,0]=4 4332 B11R2.239 c1ccc(C2CCC2)cc1 Amb27466141 [0,0,0,1,0,0|1,0,0]=2 4333 B11R2.239 c1ccc(C2CCC2)nc1 Amb27796341 [0,0,0,1,0,0|2,0,0]=3 4334 B11R2.239 c1ccc(C2CCN2)cc1 Amb34912959 [0,0,0,1,0,0|1,0,0]=2 4335 B11R2.239 c1ccc(C2CCN2)cc1 Amb6893889 [0,0,0,1,0,0|1,0,0]=2 4336 B11R2.239 c1ccc(C2CCN2)nc1 Amb25849292 [0,0,0,1,0,0|2,0,0]=3 4337 B11R2.239 c1ccc(C2CCS2)cc1 Amb27839415 [0,0,0,1,0,0|0,1,0]=2 4338 B11R2.239 c1ccc(C2CNC2)cc1 Amb10603719 [0,0,0,1,0,0|2,0,0]=3 4339 B11R2.239 c1ccc(C2CNC2)cc1 Amb4124710 [0,0,0,1,0,0|2,0,0]=3 4340 B11R2.239 c1ccc(C2CNC2)nc1 Amb15695195 [0,0,0,1,0,0|3,0,0]=4 4341 B11R2.239 c1ccc(C2CNC2)nc1 Amb19516701 [0,0,0,1,0,0|3,0,0]=4 4342 B11R2.239 c1ccc(C2CNC2)nc1 Amb32410214 [0,0,0,1,0,0|3,0,0]=4 4343 B11R2.239 c1ccc(C2COC2)nc1 Amb24100566 [0,0,0,1,0,0|3,0,0]=4 4344 B11R2.239 c1ccc([C@@H]2CCO2)cc1 Amb25721124 [0,0,0,1,0,0|0,0,0]=1 4345 B11R2.239 c1ccc([C@H]2CCN2)cc1 Amb27874787 [0,0,0,1,0,0|1,0,0]=2 4346 B11R2.239 c1cnc(C2CCN2)cn1 Amb26026804 [0,0,0,1,0,0|3,0,0]=4 4347 B11R2.239 c1cnc(C2CCN2)nc1 Amb32716223 [0,0,0,1,0,0|3,0,0]=4 4348 B11R2.239 c1cncc(C2CCN2)c1 Amb8010869 [0,0,0,1,0,0|2,0,0]=3 4349 B11R2.239 c1cncc(C2CNC2)c1 Amb19516797 [0,0,0,1,0,0|3,0,0]=4 4350 B11R2.239 c1cncc(C2CNC2)c1 Amb20620349 [0,0,0,1,0,0|3,0,0]=4 4351 B11R2.239 c1cncc(C2CNC2)c1 Amb32410212 [0,0,0,1,0,0|3,0,0]=4 4352 B11R2.239 c1cncc([C@H]2CCN2)c1 Amb27241453 [0,0,0,1,0,0|2,0,0]=3 4353 B11R2.239 c1ncc(C2CCN2)cn1 Amb27173286 [0,0,0,1,0,0|3,0,0]=4 4354 B11R2.988 C=CC1Cc2ccccc21 Amb17778869 [0,0,0,1,0,0|1,0,1]=3 4355 B11R2.988 CCC1=Cc2ccccc21 Amb27641412 [0,0,0,1,0,0|1,0,2]=4 4356 B11R2.988 CCC1Cc2ccccc21 Amb24647895 [0,0,0,1,0,0|1,0,0]=2 4357 B11R2.988 CNC1Cc2ccccc21 Amb28315966 [0,0,0,1,0,0|2,0,0]=3 4358 B11R2.988 COC1Cc2ccccc21 Amb24455687 [0,0,0,1,0,0|2,0,0]=3 4359 B11R2.988 N#CC1Cc2ccccc21 Amb2778424 [0,0,0,1,0,0|1,0,1]=3 4360 B11R2.988 NCC1Cc2ccccc21 Amb10609227 [0,0,0,1,0,0|1,0,0]=2 4361 B11R2.988 O=CC1Cc2ccccc21 Amb16230472 [0,0,0,1,0,0|0,0,2]=3 4362 B11R2.988 OCC1Cc2ccccc21 Amb8395939 [0,0,0,1,0,0|0,0,0]=1 4363 B11R2.988 O\N=C1/Cc2ccccc21 Amb3862130 [0,0,0,1,0,0|1,0,1]=3 4364 B11R2.988 SCC1Cc2ccccc21 Amb27866792 [0,0,0,1,0,0|0,1,0]=2 4365 B9R1.12 BrCCCc1ccco1 Amb17104550 [0,0,0,0,1,0|2,0,0]=3 4366 B9R1.12 BrCCCc1cccs1 Amb17104551 [0,0,0,0,1,0|2,0,0]=3 4367 B9R1.12 BrCCCc1ccns1 Amb26046970 [0,0,0,0,1,0|3,0,0]=4 4368 B9R1.12 BrCCCc1ccoc1 Amb24593084 [0,0,0,0,1,0|2,0,0]=3 4369 B9R1.12 BrCCCc1ccon1 Amb33335576 [0,0,0,0,1,0|3,0,0]=4 4370 B9R1.12 BrCCCc1ccsc1 Amb27837473 [0,0,0,0,1,0|2,0,0]=3 4371 B9R1.12 BrCCCc1ccsn1 Amb27877803 [0,0,0,0,1,0|3,0,0]=4 4372 B9R1.12 BrCCCc1cnco1 Amb33335808 [0,0,0,0,1,0|3,0,0]=4 4373 B9R1.12 BrCCCc1cncs1 Amb26631480 [0,0,0,0,1,0|3,0,0]=4 4374 B9R1.12 BrCCCc1cnoc1 Amb18327732 [0,0,0,0,1,0|3,0,0]=4 4375 B9R1.12 BrCCCc1cnsc1 Amb29862963 [0,0,0,0,1,0|3,0,0]=4 4376 B9R1.12 BrCCCc1cscn1 Amb24376114 [0,0,0,0,1,0|3,0,0]=4 4377 B9R1.12 BrCCCc1nccs1 Amb26366534 [0,0,0,0,1,0|3,0,0]=4 4378 B9R1.12 BrCCCn1cccc1 Amb10608810 [0,0,0,0,1,0|2,0,0]=3 4379 B9R1.12 BrCCCn1cccn1 Amb8828103 [0,0,0,0,1,0|3,0,0]=4 4380 B9R1.12 BrCCCn1ccnc1 Amb19515253 [0,0,0,0,1,0|3,0,0]=4 4381 B9R1.12 BrCCCn1ccnc1 Amb8828105 [0,0,0,0,1,0|3,0,0]=4 4382 B9R1.12 BrCCSc1ccco1 Amb27817680 [0,0,0,0,1,0|3,0,0]=4 4383 B9R1.12 BrCCSc1cccs1 Amb6717251 [0,0,0,0,1,0|3,0,0]=4 4384 B9R1.12 C#CCCc1ccco1 Amb27838602 [0,0,0,0,1,0|2,0,1]=4 4385 B9R1.12 C#CCCc1cccs1 Amb33361313 [0,0,0,0,1,0|2,0,1]=4 4386 B9R1.12 C#CCCc1ccoc1 Amb33360361 [0,0,0,0,1,0|2,0,1]=4 4387 B9R1.12 C#CCCc1ccsc1 Amb33428888 [0,0,0,0,1,0|2,0,1]=4 4388 B9R1.12 C#CCCn1cccc1 Amb27646661 [0,0,0,0,1,0|2,0,1]=4 4389 B9R1.12 C=CCCc1ccco1 Amb35680299 [0,0,0,0,1,0|2,0,1]=4 4390 B9R1.12 C=CCCc1cccs1 Amb27476978 [0,0,0,0,1,0|2,0,1]=4 4391 B9R1.12 C=CCCc1ccoc1 Amb35680294 [0,0,0,0,1,0|2,0,1]=4 4392 B9R1.12 C=CCCc1ccsc1 Amb28342746 [0,0,0,0,1,0|2,0,1]=4 4393 B9R1.12 C=CCCn1cccc1 Amb27463173 [0,0,0,0,1,0|2,0,1]=4 4394 B9R1.12 C=NCCc1cccs1 Amb27442437 [0,0,0,0,1,0|3,0,0]=4 4395 B9R1.12 C=NCCc1ccsc1 Amb27612947 [0,0,0,0,1,0|3,0,0]=4 4396 B9R1.12 CCCCc1ccco1 Amb10070290 [0,0,0,0,1,0|2,0,0]=3 4397 B9R1.12 CCCCc1cccs1 Amb4477470 [0,0,0,0,1,0|2,0,0]=3 4398 B9R1.12 CCCCc1ccsc1 Amb17779303 [0,0,0,0,1,0|2,0,0]=3 4399 B9R1.12 CCCCc1cnco1 Amb35647888 [0,0,0,0,1,0|3,0,0]=4 4400 B9R1.12 CCCCc1nccs1 Amb27810226 [0,0,0,0,1,0|3,0,0]=4 4401 B9R1.12 CCCCn1cccn1 Amb27830053 [0,0,0,0,1,0|3,0,0]=4 4402 B9R1.12 CCCCn1ccnc1 Amb6608674 [0,0,0,0,1,0|3,0,0]=4 4403 B9R1.12 CCCNn1cccc1 Amb28401503 [0,0,0,0,1,0|3,0,0]=4 4404 B9R1.12 CCCOc1cccs1 Amb27167856 [0,0,0,0,1,0|3,0,0]=4 4405 B9R1.12 CCNCc1ccco1 Amb1137312 [0,0,0,0,1,0|3,0,0]=4 4406 B9R1.12 CCNCc1ccco1 Amb8191019 [0,0,0,0,1,0|3,0,0]=4 4407 B9R1.12 CCNCc1cccs1 Amb1088620 [0,0,0,0,1,0|3,0,0]=4 4408 B9R1.12 CCNCc1cccs1 Amb22283900 [0,0,0,0,1,0|3,0,0]=4 4409 B9R1.12 CCNCc1ccoc1 Amb33552859 [0,0,0,0,1,0|3,0,0]=4 4410 B9R1.12 CCNCc1ccsc1 Amb2592468 [0,0,0,0,1,0|3,0,0]=4 4411 B9R1.12 CCOCc1ccco1 Amb22234292 [0,0,0,0,1,0|3,0,0]=4 4412 B9R1.12 CCOCn1cccc1 Amb27954704 [0,0,0,0,1,0|3,0,0]=4 4413 B9R1.12 CCSCc1ccco1 Amb26949169 [0,0,0,0,1,0|3,0,0]=4 4414 B9R1.12 CCSCc1ccsc1 Amb27643655 [0,0,0,0,1,0|3,0,0]=4 4415 B9R1.12 CNCCc1ccco1 Amb17399803 [0,0,0,0,1,0|3,0,0]=4 4416 B9R1.12 CNCCc1cccs1 Amb6712648 [0,0,0,0,1,0|3,0,0]=4 4417 B9R1.12 CNCCc1ccoc1 Amb25682417 [0,0,0,0,1,0|3,0,0]=4 4418 B9R1.12 CNCCc1ccsc1 Amb8853652 [0,0,0,0,1,0|3,0,0]=4 4419 B9R1.12 CNCCn1cccc1 Amb18994357 [0,0,0,0,1,0|3,0,0]=4 4420 B9R1.12 COCCC1=CC=CC1 Amb27806849 [0,0,0,0,1,0|2,0,1]=4 4421 B9R1.12 COCCc1ccsc1 Amb27843682 [0,0,0,0,1,0|3,0,0]=4 4422 B9R1.12 CSCCc1ccco1 Amb27438612 [0,0,0,0,1,0|3,0,0]=4 4423 B9R1.12 CSCCc1cccs1 Amb27443874 [0,0,0,0,1,0|3,0,0]=4 4424 B9R1.12 ClCCCc1ccco1 Amb8860563 [0,0,0,0,1,0|2,0,0]=3 4425 B9R1.12 ClCCCc1cccs1 Amb17104524 [0,0,0,0,1,0|2,0,0]=3 4426 B9R1.12 ClCCCc1ccno1 Amb27227468 [0,0,0,0,1,0|3,0,0]=4 4427 B9R1.12 ClCCCc1ccns1 Amb24562522 [0,0,0,0,1,0|3,0,0]=4 4428 B9R1.12 ClCCCc1ccoc1 Amb25720433 [0,0,0,0,1,0|2,0,0]=3 4429 B9R1.12 ClCCCc1ccsc1 Amb18797934 [0,0,0,0,1,0|2,0,0]=3 4430 B9R1.12 ClCCCc1cncs1 Amb24447750 [0,0,0,0,1,0|3,0,0]=4 4431 B9R1.12 ClCCCc1cnoc1 Amb27877269 [0,0,0,0,1,0|3,0,0]=4 4432 B9R1.12 ClCCCc1cnsc1 Amb29862962 [0,0,0,0,1,0|3,0,0]=4 4433 B9R1.12 ClCCCc1cscn1 Amb25260872 [0,0,0,0,1,0|3,0,0]=4 4434 B9R1.12 ClCCCc1nccs1 Amb24715677 [0,0,0,0,1,0|3,0,0]=4 4435 B9R1.12 ClCCCn1cccc1 Amb21912596 [0,0,0,0,1,0|2,0,0]=3 4436 B9R1.12 ClCCCn1cccn1 Amb1127280 [0,0,0,0,1,0|3,0,0]=4 4437 B9R1.12 ClCCCn1cccn1 Amb22587111 [0,0,0,0,1,0|3,0,0]=4 4438 B9R1.12 ClCCCn1ccnc1 Amb1125249 [0,0,0,0,1,0|3,0,0]=4 4439 B9R1.12 ClCCCn1ccnc1 Amb21961562 [0,0,0,0,1,0|3,0,0]=4 4440 B9R1.12 ClCCOc1ccsc1 Amb27593871 [0,0,0,0,1,0|3,0,0]=4 4441 B9R1.12 FCCCn1cccc1 Amb24659970 [0,0,0,0,1,0|2,0,0]=3 4442 B9R1.12 FCCCn1cccn1 Amb23449149 [0,0,0,0,1,0|3,0,0]=4 4443 B9R1.12 FCCNn1cccc1 Amb27838516 [0,0,0,0,1,0|3,0,0]=4 4444 B9R1.12 FCCSc1cccs1 Amb27218429 [0,0,0,0,1,0|3,0,0]=4 4445 B9R1.12 ICCCc1cccs1 Amb27207015 [0,0,0,0,1,0|2,0,0]=3 4446 B9R1.12 ICCCc1cnoc1 Amb27648224 [0,0,0,0,1,0|3,0,0]=4 4447 B9R1.12 ICCCn1cccc1 Amb28041769 [0,0,0,0,1,0|2,0,0]=3 4448 B9R1.12 N#CCCc1ccco1 Amb20623925 [0,0,0,0,1,0|2,0,1]=4 4449 B9R1.12 N#CCCc1cccs1 Amb17226709 [0,0,0,0,1,0|2,0,1]=4 4450 B9R1.12 N#CCCc1ccoc1 Amb25146999 [0,0,0,0,1,0|2,0,1]=4 4451 B9R1.12 N#CCCn1cccc1 Amb2690450 [0,0,0,0,1,0|2,0,1]=4 4452 B9R1.12 NCCCc1ccco1 Amb534785 [0,0,0,0,1,0|2,0,0]=3 4453 B9R1.12 NCCCc1cccs1 Amb33529119 [0,0,0,0,1,0|2,0,0]=3 4454 B9R1.12 NCCCc1ccno1 Amb18832760 [0,0,0,0,1,0|3,0,0]=4 4455 B9R1.12 NCCCc1ccoc1 Amb25789662 [0,0,0,0,1,0|2,0,0]=3 4456 B9R1.12 NCCCc1ccon1 Amb33198790 [0,0,0,0,1,0|3,0,0]=4 4457 B9R1.12 NCCCc1ccsc1 Amb19373237 [0,0,0,0,1,0|2,0,0]=3 4458 B9R1.12 NCCCc1ccsc1 Amb9511216 [0,0,0,0,1,0|2,0,0]=3 4459 B9R1.12 NCCCc1ccsn1 Amb18202563 [0,0,0,0,1,0|3,0,0]=4 4460 B9R1.12 NCCCc1cnco1 Amb33415562 [0,0,0,0,1,0|3,0,0]=4 4461 B9R1.12 NCCCc1cncs1 Amb18831614 [0,0,0,0,1,0|3,0,0]=4 4462 B9R1.12 NCCCc1cnoc1 Amb29083289 [0,0,0,0,1,0|3,0,0]=4 4463 B9R1.12 NCCCc1cnoc1 Amb31157056 [0,0,0,0,1,0|3,0,0]=4 4464 B9R1.12 NCCCc1cnoc1 Amb8010161 [0,0,0,0,1,0|3,0,0]=4 4465 B9R1.12 NCCCc1cnsc1 Amb35730534 [0,0,0,0,1,0|3,0,0]=4 4466 B9R1.12 NCCCc1cocn1 Amb18832743 [0,0,0,0,1,0|3,0,0]=4 4467 B9R1.12 NCCCc1cscn1 Amb18523794 [0,0,0,0,1,0|3,0,0]=4 4468 B9R1.12 NCCCc1ncco1 Amb18061835 [0,0,0,0,1,0|3,0,0]=4 4469 B9R1.12 NCCCc1nccs1 Amb19351883 [0,0,0,0,1,0|3,0,0]=4 4470 B9R1.12 NCCCc1nccs1 Amb5740690 [0,0,0,0,1,0|3,0,0]=4 4471 B9R1.12 NCCCn1cccc1 Amb5744329 [0,0,0,0,1,0|2,0,0]=3 4472 B9R1.12 NCCCn1cccn1 Amb10549338 [0,0,0,0,1,0|3,0,0]=4 4473 B9R1.12 NCCCn1cccn1 Amb1136640 [0,0,0,0,1,0|3,0,0]=4 4474 B9R1.12 NCCCn1ccnc1 Amb3939866 [0,0,0,0,1,0|3,0,0]=4 4475 B9R1.12 NCCOc1ccco1 Amb33360919 [0,0,0,0,1,0|3,0,0]=4 4476 B9R1.12 NCCOc1cccs1 Amb26516140 [0,0,0,0,1,0|3,0,0]=4 4477 B9R1.12 NCCOc1ccoc1 Amb33360341 [0,0,0,0,1,0|3,0,0]=4 4478 B9R1.12 NCCOc1ccsc1 Amb33428875 [0,0,0,0,1,0|3,0,0]=4 4479 B9R1.12 NCCSc1ccco1 Amb28326221 [0,0,0,0,1,0|3,0,0]=4 4480 B9R1.12 NCCSc1cccs1 Amb6717253 [0,0,0,0,1,0|3,0,0]=4 4481 B9R1.12 NNCCc1cccs1 Amb6242818 [0,0,0,0,1,0|3,0,0]=4 4482 B9R1.12 NNCCc1ccsc1 Amb6744631 [0,0,0,0,1,0|3,0,0]=4 4483 B9R1.12 NOCCc1ccco1 Amb25208726 [0,0,0,0,1,0|3,0,0]=4 4484 B9R1.12 NOCCc1cccs1 Amb25130652 [0,0,0,0,1,0|3,0,0]=4 4485 B9R1.12 NOCCc1ccoc1 Amb33360619 [0,0,0,0,1,0|3,0,0]=4 4486 B9R1.12 NOCCc1ccsc1 Amb25799465 [0,0,0,0,1,0|3,0,0]=4 4487 B9R1.12 O=CCCc1ccco1 Amb17081672 [0,0,0,0,1,0|1,0,2]=4 4488 B9R1.12 O=CCCc1cccs1 Amb17081673 [0,0,0,0,1,0|1,0,2]=4 4489 B9R1.12 O=CCCc1ccoc1 Amb8394152 [0,0,0,0,1,0|1,0,2]=4 4490 B9R1.12 O=CCCc1ccsc1 Amb26961096 [0,0,0,0,1,0|1,0,2]=4 4491 B9R1.12 OCC#Cc1ccco1 Amb28049071 [0,0,0,0,1,0|1,0,2]=4 4492 B9R1.12 OCC#Cc1ccoc1 Amb28126047 [0,0,0,0,1,0|1,0,2]=4 4493 B9R1.12 OCC#Cc1ccsc1 Amb24709250 [0,0,0,0,1,0|1,0,2]=4 4494 B9R1.12 OCCCC1=CCCC1 Amb24457013 [0,0,0,0,1,0|0,0,3]=4 4495 B9R1.12 OCCCC1CC=CC1 Amb28315438 [0,0,0,0,1,0|0,0,3]=4 4496 B9R1.12 OCCCc1ccco1 Amb8860560 [0,0,0,0,1,0|1,0,0]=2 4497 B9R1.12 OCCCc1cccs1 Amb17089493 [0,0,0,0,1,0|1,0,0]=2 4498 B9R1.12 OCCCc1ccns1 Amb27787342 [0,0,0,0,1,0|2,0,0]=3 4499 B9R1.12 OCCCc1ccoc1 Amb26505336 [0,0,0,0,1,0|1,0,0]=2 4500 B9R1.12 OCCCc1ccon1 Amb28399013 [0,0,0,0,1,0|2,0,0]=3 4501 B9R1.12 OCCCc1ccsc1 Amb17605794 [0,0,0,0,1,0|1,0,0]=2 4502 B9R1.12 OCCCc1cnco1 Amb27833401 [0,0,0,0,1,0|2,0,0]=3 4503 B9R1.12 OCCCc1cncs1 Amb26017292 [0,0,0,0,1,0|2,0,0]=3 4504 B9R1.12 OCCCc1cnoc1 Amb3941163 [0,0,0,0,1,0|2,0,0]=3 4505 B9R1.12 OCCCc1cnsc1 Amb30017333 [0,0,0,0,1,0|2,0,0]=3 4506 B9R1.12 OCCCc1cnsn1 Amb27785943 [0,0,0,0,1,0|3,0,0]=4 4507 B9R1.12 OCCCc1cocn1 Amb27762837 [0,0,0,0,1,0|2,0,0]=3 4508 B9R1.12 OCCCc1cscn1 Amb24099813 [0,0,0,0,1,0|2,0,0]=3 4509 B9R1.12 OCCCc1csnn1 Amb24700420 [0,0,0,0,1,0|3,0,0]=4 4510 B9R1.12 OCCCc1nccs1 Amb25887194 [0,0,0,0,1,0|2,0,0]=3 4511 B9R1.12 OCCCn1cccc1 Amb17593298 [0,0,0,0,1,0|1,0,0]=2 4512 B9R1.12 OCCCn1cccn1 Amb33531607 [0,0,0,0,1,0|2,0,0]=3 4513 B9R1.12 OCCCn1ccnc1 Amb11012596 [0,0,0,0,1,0|2,0,0]=3 4514 B9R1.12 OCCCn1ccnc1 Amb33531544 [0,0,0,0,1,0|2,0,0]=3 4515 B9R1.12 OCCCn1cncn1 Amb33531610 [0,0,0,0,1,0|3,0,0]=4 4516 B9R1.12 OCCCn1cnnc1 Amb2786745 [0,0,0,0,1,0|3,0,0]=4 4517 B9R1.12 OCCCn1nccn1 Amb25317470 [0,0,0,0,1,0|3,0,0]=4 4518 B9R1.12 OCCNc1ccco1 Amb27246618 [0,0,0,0,1,0|2,0,0]=3 4519 B9R1.12 OCCNc1cccs1 Amb27174142 [0,0,0,0,1,0|2,0,0]=3 4520 B9R1.12 OCCNc1nccs1 Amb6649646 [0,0,0,0,1,0|3,0,0]=4 4521 B9R1.12 OCCSc1ccco1 Amb27200113 [0,0,0,0,1,0|2,0,0]=3 4522 B9R1.12 OCCSc1ccsc1 Amb27958951 [0,0,0,0,1,0|2,0,0]=3 4523 B9R1.12 OCCSc1ncco1 Amb28139850 [0,0,0,0,1,0|3,0,0]=4 4524 B9R1.12 OC\C=C\c1ccco1 Amb837544 [0,0,0,0,1,0|1,0,2]=4 4525 B9R1.12 OC\C=C\c1cccs1 Amb23555588 [0,0,0,0,1,0|1,0,2]=4 4526 B9R1.12 OC\C=C\c1ccoc1 Amb33136449 [0,0,0,0,1,0|1,0,2]=4 4527 B9R1.12 OC\C=C\c1ccsc1 Amb33136405 [0,0,0,0,1,0|1,0,2]=4 4528 B9R1.12 OC\C=C\n1cccc1 Amb28049227 [0,0,0,0,1,0|1,0,2]=4 4529 B9R1.12 O\N=C\Cc1ccco1 Amb28368538 [0,0,0,0,1,0|2,0,1]=4 4530 B9R1.12 SCCCc1ccco1 Amb17399874 [0,0,0,0,1,0|1,1,0]=3 4531 B9R1.12 SCCCc1cccs1 Amb17400036 [0,0,0,0,1,0|1,1,0]=3 4532 B9R1.12 SCCCc1ccoc1 Amb33360329 [0,0,0,0,1,0|1,1,0]=3 4533 B9R1.12 SCCCc1ccon1 Amb33199329 [0,0,0,0,1,0|2,1,0]=4 4534 B9R1.12 SCCCc1ccsc1 Amb25180709 [0,0,0,0,1,0|1,1,0]=3 4535 B9R1.12 SCCCc1cnco1 Amb33319544 [0,0,0,0,1,0|2,1,0]=4 4536 B9R1.12 SCCCc1cncs1 Amb33268042 [0,0,0,0,1,0|2,1,0]=4 4537 B9R1.12 SCCCc1cscn1 Amb33417299 [0,0,0,0,1,0|2,1,0]=4 4538 B9R1.12 SCCCc1nccs1 Amb33197361 [0,0,0,0,1,0|2,1,0]=4 4539 B9R1.12 SCCCn1cccn1 Amb27838579 [0,0,0,0,1,0|2,1,0]=4 4540 B9R1.12 SCCCn1ccnc1 Amb33538676 [0,0,0,0,1,0|2,1,0]=4 4541 B9R1.12 [C-]#[N+]CCc1ccco1 Amb24743086 [0,0,0,0,1,0|3,0,0]=4 4542 B9R1.12 [C-]#[N+]CCc1cccs1 Amb3973223 [0,0,0,0,1,0|3,0,0]=4 4543 B9R1.12 [C-]#[N+]CCc1ccoc1 Amb33361232 [0,0,0,0,1,0|3,0,0]=4 4544 B9R1.12 [C-]#[N+]CCc1ccsc1 Amb33428936 [0,0,0,0,1,0|3,0,0]=4 4545 B11R1.203 BrCCOC1C=CC=CC=C1 Amb28143705 [0,0,0,0,0,1|2,0,1]=4 4546 B11R1.203 NCCCC1=CCCCC=C1 Amb28187023 [0,0,0,0,0,1|1,0,2]=4 4547 B11R1.203 O=CCCC1C=CC=CC=C1 Amb27401095 [0,0,0,0,0,1|0,0,3]=4 4548 B8R0.1 C=C(\C=C\C)CCCCl Amb28282689 [1,0,1,0,0,0|1,0,1]=4 4549 B8R0.1 C=CCC(=C)CCCO Amb27213958 [1,0,1,0,0,0|0,0,1]=3 4550 B8R0.1 C=CCCC(=C)CCO Amb27218611 [1,0,1,0,0,0|0,0,2]=4 4551 B8R0.1 C=CC\C=C(\C)CCO Amb27651848 [1,0,1,0,0,0|0,0,2]=4 4552 B8R0.1 C=C\C=C\C(=C)CC=O Amb26851275 [1,0,1,0,0,0|0,0,2]=4 4553 B8R0.1 C=C\C=C\C(=O)OCC Amb10552844 [1,0,1,0,0,0|2,0,0]=4 4554 B8R0.1 C\C(=C/C=C/Cl)CCO Amb27233484 [1,0,1,0,0,0|1,0,1]=4 4555 B8R0.1 O=C\C=C/C(=O)CCO Amb27643576 [1,0,1,0,0,0|2,0,0]=4 4556 B8R0.4 C#C\C=C\C=C\CCO Amb28315560 [1,0,1,0,0,0|0,0,2]=4 4557 B8R0.4 C=C\C=C\C=C\CCC Amb22641675 [1,0,1,0,0,0|0,0,0]=2 4558 B8R0.4 C=C\C=C\CCCCBr Amb32688174 [1,0,1,0,0,0|1,0,1]=4 4559 B8R0.4 C=C\C=C\CCCCC Amb22641683 [1,0,1,0,0,0|0,0,2]=4 4560 B8R0.4 C=C\C=C\CCCCCl Amb32688173 [1,0,1,0,0,0|1,0,1]=4 4561 B8R0.4 C=C\C=C\CNCCC Amb26967633 [1,0,1,0,0,0|1,0,1]=4 4562 B8R0.4 CCC\C=C/C=C/C=O Amb27643510 [1,0,1,0,0,0|1,0,0]=3 4563 B8R0.4 CCC\C=C\C=C/CN Amb27768643 [1,0,1,0,0,0|1,0,1]=4 4564 B8R0.4 CCC\C=C\C=C\C=O Amb8392848 [1,0,1,0,0,0|1,0,0]=3 4565 B8R0.4 CCC\C=C\C=C\CBr Amb28285136 [1,0,1,0,0,0|1,0,1]=4 4566 B8R0.4 CCC\C=C\C=C\CCl Amb27630001 [1,0,1,0,0,0|1,0,1]=4 4567 B8R0.4 CCC\C=C\C=C\CN Amb27252152 [1,0,1,0,0,0|1,0,1]=4 4568 B8R0.4 CCC\C=C\C=C\CO Amb22053869 [1,0,1,0,0,0|1,0,1]=4 4569 B8R0.4 CO\C=C\C=C\CCO Amb27660890 [1,0,1,0,0,0|1,0,1]=4 4570 B8R0.4 C\C=C/C=C/CCCBr Amb27878672 [1,0,1,0,0,0|1,0,1]=4 4571 B8R0.4 C\C=C\C=C=CCCO Amb27812339 [1,0,1,0,0,0|0,0,2]=4 4572 B8R0.4 C\C=C\C=C\CCCC Amb24477896 [1,0,1,0,0,0|0,0,2]=4 4573 B8R0.4 C\C=C\C=C\CCCO Amb17593323 [1,0,1,0,0,0|0,0,1]=3 4574 B8R0.4 C\C=C\C\C=C\CCO Amb27978414 [1,0,1,0,0,0|0,0,2]=4 4575 B8R0.4 OC\C=C\C=C\C=C\Cl Amb27878783 [1,0,1,0,0,0|1,0,1]=4 4576 B8R0.11 C=CC(C=C)=CCCO Amb27394777 [1,0,1,0,0,0|0,0,1]=3 4577 B8R0.11 C=C\C(=C/Br)CCCC Amb27637668 [1,0,1,0,0,0|2,0,0]=4 4578 B8R0.11 C\C=C(/C=O)CCCO Amb27788394 [1,0,1,0,0,0|1,0,1]=4 4579 B8R0.11 N\C=C(/C=O)CCCO Amb25307863 [1,0,1,0,0,0|2,0,0]=4 4580 B8R0.22 C=CCC(C=C)CCO Amb27662197 [1,0,1,0,0,0|0,0,2]=4 4581 B8R0.22 C=C\C=C(/C=O)COC Amb27194403 [1,0,1,0,0,0|2,0,0]=4 4582 B8R1.2 BrCc1ccccc1 Amb3939707 [2,0,0,0,0,0|1,0,0]=3 4583 B8R1.2 BrCc1ccccn1 Amb3939990 [2,0,0,0,0,0|2,0,0]=4 4584 B8R1.2 BrCc1ccccn1 Amb8393294 [2,0,0,0,0,0|2,0,0]=4 4585 B8R1.2 BrCc1cccnc1 Amb3939989 [2,0,0,0,0,0|2,0,0]=4 4586 B8R1.2 BrCc1cccnc1 Amb9826052 [2,0,0,0,0,0|2,0,0]=4 4587 B8R1.2 BrCc1ccncc1 Amb3939991 [2,0,0,0,0,0|2,0,0]=4 4588 B8R1.2 BrCc1ccncc1 Amb9826062 [2,0,0,0,0,0|2,0,0]=4 4589 B8R1.2 Br[Se]c1ccccc1 Amb8514629 [2,0,0,0,0,0|2,0,0]=4 4590 B8R1.2 C#Cc1ccccc1 Amb2793084 [2,0,0,0,0,0|0,0,2]=4 4591 B8R1.2 C=Cc1ccccc1 Amb6608811 [2,0,0,0,0,0|0,0,2]=4 4592 B8R1.2 C=Nc1ccccc1 Amb24605672 [2,0,0,0,0,0|1,0,1]=4 4593 B8R1.2 CCC1=CC=CNC1 Amb27643536 [2,0,0,0,0,0|1,0,1]=4 4594 B8R1.2 CC[n+]1ccccc1 Amb8516219 [2,0,0,0,0,0|1,0,0]=3 4595 B8R1.2 CC[n+]1ccccc1 Amb8516636 [2,0,0,0,0,0|1,0,0]=3 4596 B8R1.2 CCc1ccccc1 Amb2447474 [2,0,0,0,0,0|0,0,0]=2 4597 B8R1.2 CCc1ccccn1 Amb6608978 [2,0,0,0,0,0|1,0,0]=3 4598 B8R1.2 CCc1cccnc1 Amb4037096 [2,0,0,0,0,0|1,0,0]=3 4599 B8R1.2 CCc1cccnn1 Amb28290156 [2,0,0,0,0,0|2,0,0]=4 4600 B8R1.2 CCc1ccncc1 Amb8513449 [2,0,0,0,0,0|1,0,0]=3 4601 B8R1.2 CCc1ccncn1 Amb20242304 [2,0,0,0,0,0|2,0,0]=4 4602 B8R1.2 CCc1cnccn1 Amb6374282 [2,0,0,0,0,0|2,0,0]=4 4603 B8R1.2 CCc1cncnc1 Amb24097063 [2,0,0,0,0,0|2,0,0]=4 4604 B8R1.2 CCc1ncccn1 Amb33544267 [2,0,0,0,0,0|2,0,0]=4 4605 B8R1.2 CNc1ccccc1 Amb2721038 [2,0,0,0,0,0|1,0,0]=3 4606 B8R1.2 CNc1ccccc1 Amb4037054 [2,0,0,0,0,0|1,0,0]=3 4607 B8R1.2 CNc1ccccn1 Amb3429849 [2,0,0,0,0,0|2,0,0]=4 4608 B8R1.2 CNc1cccnc1 Amb8396762 [2,0,0,0,0,0|2,0,0]=4 4609 B8R1.2 CNc1ccncc1 Amb2610661 [2,0,0,0,0,0|2,0,0]=4 4610 B8R1.2 COc1ccccc1 Amb2842269 [2,0,0,0,0,0|1,0,0]=3 4611 B8R1.2 COc1ccccn1 Amb4037280 [2,0,0,0,0,0|2,0,0]=4 4612 B8R1.2 COc1cccnc1 Amb8517634 [2,0,0,0,0,0|2,0,0]=4 4613 B8R1.2 COc1ccncc1 Amb2609546 [2,0,0,0,0,0|2,0,0]=4 4614 B8R1.2 COc1ccncc1 Amb28991347 [2,0,0,0,0,0|2,0,0]=4 4615 B8R1.2 CPc1ccccc1 Amb25341327 [2,0,0,0,0,0|1,0,0]=3 4616 B8R1.2 CSc1ccccc1 Amb2690593 [2,0,0,0,0,0|1,0,0]=3 4617 B8R1.2 CSc1ccccn1 Amb8392843 [2,0,0,0,0,0|2,0,0]=4 4618 B8R1.2 CSc1cccnc1 Amb24087396 [2,0,0,0,0,0|2,0,0]=4 4619 B8R1.2 CSc1ccncc1 Amb24103013 [2,0,0,0,0,0|2,0,0]=4 4620 B8R1.2 ClCc1cc[nH+]cc1 Amb4258486 [2,0,0,0,0,0|2,0,0]=4 4621 B8R1.2 ClCc1ccccc1 Amb2792911 [2,0,0,0,0,0|1,0,0]=3 4622 B8R1.2 ClCc1ccccn1 Amb22489454 [2,0,0,0,0,0|2,0,0]=4 4623 B8R1.2 ClCc1ccccn1 Amb534985 [2,0,0,0,0,0|2,0,0]=4 4624 B8R1.2 ClCc1ccccn1 Amb6296082 [2,0,0,0,0,0|2,0,0]=4 4625 B8R1.2 ClCc1cccnc1 Amb2725600 [2,0,0,0,0,0|2,0,0]=4 4626 B8R1.2 ClCc1cccnc1 Amb534994 [2,0,0,0,0,0|2,0,0]=4 4627 B8R1.2 ClCc1ccncc1 Amb2715054 [2,0,0,0,0,0|2,0,0]=4 4628 B8R1.2 Cl[Se]c1ccccc1 Amb8513798 [2,0,0,0,0,0|2,0,0]=4 4629 B8R1.2 Cl[SiH2]c1ccccc1 Amb22351128 [2,0,0,0,0,0|1,1,0]=4 4630 B8R1.2 FCc1ccccc1 Amb10838335 [2,0,0,0,0,0|1,0,0]=3 4631 B8R1.2 FCc1cccnc1 Amb25259171 [2,0,0,0,0,0|2,0,0]=4 4632 B8R1.2 FCc1ccncc1 Amb22372287 [2,0,0,0,0,0|2,0,0]=4 4633 B8R1.2 ICc1ccccc1 Amb4006861 [2,0,0,0,0,0|1,0,0]=3 4634 B8R1.2 ICc1ccccn1 Amb26963503 [2,0,0,0,0,0|2,0,0]=4 4635 B8R1.2 ICc1cccnc1 Amb10602162 [2,0,0,0,0,0|2,0,0]=4 4636 B8R1.2 ICc1cccnc1 Amb33527054 [2,0,0,0,0,0|2,0,0]=4 4637 B8R1.2 ICc1ccncc1 Amb33552994 [2,0,0,0,0,0|2,0,0]=4 4638 B8R1.2 I[Se]c1ccccc1 Amb10601593 [2,0,0,0,0,0|2,0,0]=4 4639 B8R1.2 N#Cc1ccccc1 Amb21864642 [2,0,0,0,0,0|1,0,1]=4 4640 B8R1.2 N#Cc1ccccc1 Amb2793082 [2,0,0,0,0,0|1,0,1]=4 4641 B8R1.2 N#[N+]c1ccccc1 Amb10564805 [2,0,0,0,0,0|2,0,0]=4 4642 B8R1.2 NCc1ccccc1 Amb19958612 [2,0,0,0,0,0|1,0,0]=3 4643 B8R1.2 NCc1ccccc1 Amb2725314 [2,0,0,0,0,0|1,0,0]=3 4644 B8R1.2 NCc1ccccc1 Amb2792834 [2,0,0,0,0,0|1,0,0]=3 4645 B8R1.2 NCc1ccccc1 Amb6383294 [2,0,0,0,0,0|1,0,0]=3 4646 B8R1.2 NCc1ccccn1 Amb20620292 [2,0,0,0,0,0|2,0,0]=4 4647 B8R1.2 NCc1ccccn1 Amb2684477 [2,0,0,0,0,0|2,0,0]=4 4648 B8R1.2 NCc1cccnc1 Amb1481403 [2,0,0,0,0,0|2,0,0]=4 4649 B8R1.2 NCc1cccnc1 Amb2189172 [2,0,0,0,0,0|2,0,0]=4 4650 B8R1.2 NCc1cccnc1 Amb6383332 [2,0,0,0,0,0|2,0,0]=4 4651 B8R1.2 NCc1ccncc1 Amb1156526 [2,0,0,0,0,0|2,0,0]=4 4652 B8R1.2 NCc1ccncc1 Amb20622010 [2,0,0,0,0,0|2,0,0]=4 4653 B8R1.2 NNc1ccccc1 Amb22002446 [2,0,0,0,0,0|2,0,0]=4 4654 B8R1.2 NNc1ccccc1 Amb2793062 [2,0,0,0,0,0|2,0,0]=4 4655 B8R1.2 NNc1ccccc1 Amb8513467 [2,0,0,0,0,0|2,0,0]=4 4656 B8R1.2 NOc1ccccc1 Amb18123833 [2,0,0,0,0,0|2,0,0]=4 4657 B8R1.2 NOc1ccccc1 Amb22231364 [2,0,0,0,0,0|2,0,0]=4 4658 B8R1.2 O=Bc1ccccc1 Amb25221658 [2,0,0,0,0,0|1,0,1]=4 4659 B8R1.2 O=Cc1ccccc1 Amb2792754 [2,0,0,0,0,0|0,0,2]=4 4660 B8R1.2 O=Nc1ccccc1 Amb9785158 [2,0,0,0,0,0|1,0,1]=4 4661 B8R1.2 O=[IH2]c1ccccc1 Amb15692855 [2,0,0,0,0,0|1,0,1]=4 4662 B8R1.2 OCc1ccccc1 Amb3939216 [2,0,0,0,0,0|0,0,0]=2 4663 B8R1.2 OCc1ccccn1 Amb16231923 [2,0,0,0,0,0|1,0,0]=3 4664 B8R1.2 OCc1ccccn1 Amb2610526 [2,0,0,0,0,0|1,0,0]=3 4665 B8R1.2 OCc1cccnc1 Amb2720347 [2,0,0,0,0,0|1,0,0]=3 4666 B8R1.2 OCc1cccnn1 Amb5282882 [2,0,0,0,0,0|2,0,0]=4 4667 B8R1.2 OCc1ccncc1 Amb24183964 [2,0,0,0,0,0|1,0,0]=3 4668 B8R1.2 OCc1ccncc1 Amb2720348 [2,0,0,0,0,0|1,0,0]=3 4669 B8R1.2 OCc1ccncn1 Amb7101500 [2,0,0,0,0,0|2,0,0]=4 4670 B8R1.2 OCc1ccnnc1 Amb21856410 [2,0,0,0,0,0|2,0,0]=4 4671 B8R1.2 OCc1cnccn1 Amb2723066 [2,0,0,0,0,0|2,0,0]=4 4672 B8R1.2 OCc1cncnc1 Amb8397262 [2,0,0,0,0,0|2,0,0]=4 4673 B8R1.2 OCc1ncccn1 Amb33531368 [2,0,0,0,0,0|2,0,0]=4 4674 B8R1.2 ONc1ccccc1 Amb17672282 [2,0,0,0,0,0|1,0,0]=3 4675 B8R1.2 ONc1ccncc1 Amb27829868 [2,0,0,0,0,0|2,0,0]=4 4676 B8R1.2 SCc1ccccc1 Amb6608752 [2,0,0,0,0,0|0,1,0]=3 4677 B8R1.2 SCc1ccccn1 Amb33542790 [2,0,0,0,0,0|1,1,0]=4 4678 B8R1.2 SCc1cccnc1 Amb21984718 [2,0,0,0,0,0|1,1,0]=4 4679 B8R1.2 SCc1ccncc1 Amb22008603 [2,0,0,0,0,0|1,1,0]=4 4680 B8R1.2 [C-]#[N+]c1ccccc1 Amb1107613 [2,0,0,0,0,0|1,0,1]=4 4681 B8R1.2 [Mg+]Cc1ccccc1 Amb22043988 [2,0,0,0,0,0|1,0,0]=3 4682 B8R1.2 [NH3+]Cc1ccccc1 Amb8488224 [2,0,0,0,0,0|1,0,0]=3 4683 B8R1.2 [SiH3]Cc1ccccc1 Amb22347052 [2,0,0,0,0,0|0,1,0]=3 4684 B10R0.91 C\C=C\C=C\C(=O)NCCO Amb27269140 [0,1,1,0,0,0|2,0,0]=4 4685 B10R0.71 C=C\C=C/C=C/CCCCC Amb22546765 [0,1,1,0,0,0|1,0,0]=3 4686 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [0,1,1,0,0,0|1,0,1]=4 4687 B10R0.74 C=CC(=O)N\C=C\CCCC Amb27673243 [0,1,1,0,0,0|2,0,0]=4 4688 B10R1.1 BrCCc1ccc(Br)cc1 Amb6296138 [1,1,0,0,0,0|1,0,0]=3 4689 B10R1.1 BrCCc1ccc(Br)cn1 Amb25187280 [1,1,0,0,0,0|2,0,0]=4 4690 B10R1.1 BrCCc1ccc(Br)nc1 Amb25941323 [1,1,0,0,0,0|2,0,0]=4 4691 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 Amb22000432 [1,1,0,0,0,0|2,0,0]=4 4692 B10R1.1 Brc1ccc(CCI)cc1 Amb22002540 [1,1,0,0,0,0|1,0,0]=3 4693 B10R1.1 C#CCc1ccc(Br)cc1 Amb26366342 [1,1,0,0,0,0|0,0,2]=4 4694 B10R1.1 C#CCc1ccc(C)cc1 Amb33359821 [1,1,0,0,0,0|0,0,2]=4 4695 B10R1.1 C#CCc1ccc(Cl)cc1 Amb26067166 [1,1,0,0,0,0|0,0,2]=4 4696 B10R1.1 C#CCc1ccc(F)cc1 Amb25679386 [1,1,0,0,0,0|0,0,2]=4 4697 B10R1.1 C#CCc1ccc(I)cc1 Amb25921305 [1,1,0,0,0,0|0,0,2]=4 4698 B10R1.1 C#CCc1ccc(N)cc1 Amb26455672 [1,1,0,0,0,0|0,0,2]=4 4699 B10R1.1 C#CCc1ccc(O)cc1 Amb33079384 [1,1,0,0,0,0|0,0,2]=4 4700 B10R1.1 C#NCc1ccc(Br)cc1 Amb31112143 [1,1,0,0,0,0|1,0,1]=4 4701 B10R1.1 C#NCc1ccc(C)cc1 Amb31132460 [1,1,0,0,0,0|1,0,1]=4 4702 B10R1.1 C#NCc1ccc(Cl)cc1 Amb31111984 [1,1,0,0,0,0|1,0,1]=4 4703 B10R1.1 C#NCc1ccc(F)cc1 Amb31132462 [1,1,0,0,0,0|1,0,1]=4 4704 B10R1.1 C=CCc1ccc(Br)cc1 Amb6298955 [1,1,0,0,0,0|0,0,2]=4 4705 B10R1.1 C=CCc1ccc(C)cc1 Amb6298999 [1,1,0,0,0,0|0,0,2]=4 4706 B10R1.1 C=CCc1ccc(Cl)cc1 Amb6298977 [1,1,0,0,0,0|0,0,2]=4 4707 B10R1.1 C=CCc1ccc(F)cc1 Amb6299104 [1,1,0,0,0,0|0,0,2]=4 4708 B10R1.1 C=CCc1ccc(N)cc1 Amb27168671 [1,1,0,0,0,0|0,0,2]=4 4709 B10R1.1 C=CCc1ccc(O)cc1 Amb18124422 [1,1,0,0,0,0|0,0,2]=4 4710 B10R1.1 CC#Cc1ccc(Br)cc1 Amb24524445 [1,1,0,0,0,0|0,0,2]=4 4711 B10R1.1 CC#Cc1ccc(Cl)cc1 Amb27199822 [1,1,0,0,0,0|0,0,2]=4 4712 B10R1.1 CCC[n+]1ccc(C)cc1 Amb28046442 [1,1,0,0,0,0|1,0,0]=3 4713 B10R1.1 CCCc1ccc(Br)cc1 Amb3939169 [1,1,0,0,0,0|0,0,0]=2 4714 B10R1.1 CCCc1ccc(Br)cn1 Amb24321438 [1,1,0,0,0,0|1,0,0]=3 4715 B10R1.1 CCCc1ccc(Br)nc1 Amb10600786 [1,1,0,0,0,0|1,0,0]=3 4716 B10R1.1 CCCc1ccc(Br)nn1 Amb10599697 [1,1,0,0,0,0|2,0,0]=4 4717 B10R1.1 CCCc1ccc(C)cc1 Amb22227992 [1,1,0,0,0,0|0,0,0]=2 4718 B10R1.1 CCCc1ccc(C)cn1 Amb25985406 [1,1,0,0,0,0|1,0,0]=3 4719 B10R1.1 CCCc1ccc(C)nn1 Amb28049426 [1,1,0,0,0,0|2,0,0]=4 4720 B10R1.1 CCCc1ccc(Cl)nn1 Amb24099956 [1,1,0,0,0,0|2,0,0]=4 4721 B10R1.1 CCCc1ccc(F)cc1 Amb10845722 [1,1,0,0,0,0|0,0,0]=2 4722 B10R1.1 CCCc1ccc(I)cc1 Amb8976891 [1,1,0,0,0,0|0,0,0]=2 4723 B10R1.1 CCCc1ccc(N)cc1 Amb2721145 [1,1,0,0,0,0|0,0,0]=2 4724 B10R1.1 CCCc1ccc(N)cn1 Amb10600808 [1,1,0,0,0,0|1,0,0]=3 4725 B10R1.1 CCCc1ccc(N)nc1 Amb10600788 [1,1,0,0,0,0|1,0,0]=3 4726 B10R1.1 CCCc1ccc(N)nn1 Amb10599699 [1,1,0,0,0,0|2,0,0]=4 4727 B10R1.1 CCCc1ccc(O)cc1 Amb3939332 [1,1,0,0,0,0|0,0,0]=2 4728 B10R1.1 CCCc1ccc(O)cn1 Amb10553035 [1,1,0,0,0,0|1,0,0]=3 4729 B10R1.1 CCCc1ccc(O)nc1 Amb10600789 [1,1,0,0,0,0|1,0,0]=3 4730 B10R1.1 CCCc1ccc(S)cc1 Amb2690418 [1,1,0,0,0,0|0,0,0]=2 4731 B10R1.1 CCCc1cnc(Br)cn1 Amb10599465 [1,1,0,0,0,0|2,0,0]=4 4732 B10R1.1 CCCc1cnc(Br)nc1 Amb20617951 [1,1,0,0,0,0|2,0,0]=4 4733 B10R1.1 CCCc1cnc(C)cn1 Amb27770573 [1,1,0,0,0,0|2,0,0]=4 4734 B10R1.1 CCCc1cnc(Cl)cn1 Amb26445275 [1,1,0,0,0,0|2,0,0]=4 4735 B10R1.1 CCCc1cnc(Cl)nc1 Amb2725353 [1,1,0,0,0,0|2,0,0]=4 4736 B10R1.1 CCCc1cnc(N)cn1 Amb10599467 [1,1,0,0,0,0|2,0,0]=4 4737 B10R1.1 CCCc1cnc(N)nc1 Amb20617938 [1,1,0,0,0,0|2,0,0]=4 4738 B10R1.1 CCCc1cnc(O)cn1 Amb10599468 [1,1,0,0,0,0|2,0,0]=4 4739 B10R1.1 CCCc1cnc(O)nc1 Amb18643254 [1,1,0,0,0,0|2,0,0]=4 4740 B10R1.1 CCCc1cnc(S)nc1 Amb16232234 [1,1,0,0,0,0|2,0,0]=4 4741 B10R1.1 CCCc1ncc(Br)cn1 Amb13884676 [1,1,0,0,0,0|2,0,0]=4 4742 B10R1.1 CCCc1ncc(Cl)cn1 Amb27880888 [1,1,0,0,0,0|2,0,0]=4 4743 B10R1.1 CCCc1ncc(N)cn1 Amb33532472 [1,1,0,0,0,0|2,0,0]=4 4744 B10R1.1 CCCc1ncc(O)cn1 Amb13884797 [1,1,0,0,0,0|2,0,0]=4 4745 B10R1.1 CCNc1ccc(Br)cc1 Amb19959109 [1,1,0,0,0,0|1,0,0]=3 4746 B10R1.1 CCNc1ccc(Br)cc1 Amb4313300 [1,1,0,0,0,0|1,0,0]=3 4747 B10R1.1 CCNc1ccc(Br)cn1 Amb6624559 [1,1,0,0,0,0|2,0,0]=4 4748 B10R1.1 CCNc1ccc(Br)nc1 Amb27648588 [1,1,0,0,0,0|2,0,0]=4 4749 B10R1.1 CCNc1ccc(C)cc1 Amb4313293 [1,1,0,0,0,0|1,0,0]=3 4750 B10R1.1 CCNc1ccc(C)cn1 Amb6640922 [1,1,0,0,0,0|2,0,0]=4 4751 B10R1.1 CCNc1ccc(C)nc1 Amb28322511 [1,1,0,0,0,0|2,0,0]=4 4752 B10R1.1 CCNc1ccc(Cl)cc1 Amb32752525 [1,1,0,0,0,0|1,0,0]=3 4753 B10R1.1 CCNc1ccc(Cl)cc1 Amb4018546 [1,1,0,0,0,0|1,0,0]=3 4754 B10R1.1 CCNc1ccc(Cl)cn1 Amb6622107 [1,1,0,0,0,0|2,0,0]=4 4755 B10R1.1 CCNc1ccc(Cl)nc1 Amb24672881 [1,1,0,0,0,0|2,0,0]=4 4756 B10R1.1 CCNc1ccc(F)cc1 Amb1214999 [1,1,0,0,0,0|1,0,0]=3 4757 B10R1.1 CCNc1ccc(F)cc1 Amb33189232 [1,1,0,0,0,0|1,0,0]=3 4758 B10R1.1 CCNc1ccc(N)cc1 Amb33551705 [1,1,0,0,0,0|1,0,0]=3 4759 B10R1.1 CCNc1ccc(N)cc1 Amb7767528 [1,1,0,0,0,0|1,0,0]=3 4760 B10R1.1 CCNc1ccc(N)cn1 Amb22737072 [1,1,0,0,0,0|2,0,0]=4 4761 B10R1.1 CCNc1ccc(N)cn1 Amb33536653 [1,1,0,0,0,0|2,0,0]=4 4762 B10R1.1 CCNc1ccc(N)nc1 Amb7767524 [1,1,0,0,0,0|2,0,0]=4 4763 B10R1.1 CCNc1ccc(O)cc1 Amb28555423 [1,1,0,0,0,0|1,0,0]=3 4764 B10R1.1 CCNc1ccc(O)cc1 Amb9608869 [1,1,0,0,0,0|1,0,0]=3 4765 B10R1.1 CCNc1ccc(S)cc1 Amb27242310 [1,1,0,0,0,0|1,0,0]=3 4766 B10R1.1 CCOc1ccc(Br)cc1 Amb2691855 [1,1,0,0,0,0|1,0,0]=3 4767 B10R1.1 CCOc1ccc(Br)cn1 Amb2609596 [1,1,0,0,0,0|2,0,0]=4 4768 B10R1.1 CCOc1ccc(Br)nc1 Amb10070294 [1,1,0,0,0,0|2,0,0]=4 4769 B10R1.1 CCOc1ccc(C)cc1 Amb4016279 [1,1,0,0,0,0|1,0,0]=3 4770 B10R1.1 CCOc1ccc(C)nc1 Amb24057171 [1,1,0,0,0,0|2,0,0]=4 4771 B10R1.1 CCOc1ccc(Cl)cc1 Amb2793039 [1,1,0,0,0,0|1,0,0]=3 4772 B10R1.1 CCOc1ccc(Cl)cn1 Amb2795153 [1,1,0,0,0,0|2,0,0]=4 4773 B10R1.1 CCOc1ccc(Cl)nc1 Amb15691050 [1,1,0,0,0,0|2,0,0]=4 4774 B10R1.1 CCOc1ccc(F)cc1 Amb2688289 [1,1,0,0,0,0|1,0,0]=3 4775 B10R1.1 CCOc1ccc(F)cn1 Amb21857676 [1,1,0,0,0,0|2,0,0]=4 4776 B10R1.1 CCOc1ccc(F)nc1 Amb26578473 [1,1,0,0,0,0|2,0,0]=4 4777 B10R1.1 CCOc1ccc(I)cc1 Amb6296147 [1,1,0,0,0,0|1,0,0]=3 4778 B10R1.1 CCOc1ccc(I)cn1 Amb10844711 [1,1,0,0,0,0|2,0,0]=4 4779 B10R1.1 CCOc1ccc(I)nc1 Amb24690931 [1,1,0,0,0,0|2,0,0]=4 4780 B10R1.1 CCOc1ccc(N)cc1 Amb1235495 [1,1,0,0,0,0|1,0,0]=3 4781 B10R1.1 CCOc1ccc(N)cc1 Amb32644735 [1,1,0,0,0,0|1,0,0]=3 4782 B10R1.1 CCOc1ccc(N)cc1 Amb6383245 [1,1,0,0,0,0|1,0,0]=3 4783 B10R1.1 CCOc1ccc(N)cn1 Amb1132257 [1,1,0,0,0,0|2,0,0]=4 4784 B10R1.1 CCOc1ccc(N)nc1 Amb6679799 [1,1,0,0,0,0|2,0,0]=4 4785 B10R1.1 CCOc1ccc(O)cc1 Amb1808385 [1,1,0,0,0,0|1,0,0]=3 4786 B10R1.1 CCOc1ccc(O)cn1 Amb18643366 [1,1,0,0,0,0|2,0,0]=4 4787 B10R1.1 CCOc1ccc(S)cc1 Amb459607 [1,1,0,0,0,0|1,0,0]=3 4788 B10R1.1 CCSc1ccc(Br)cc1 Amb3939596 [1,1,0,0,0,0|1,0,0]=3 4789 B10R1.1 CCSc1ccc(Br)cn1 Amb20628984 [1,1,0,0,0,0|2,0,0]=4 4790 B10R1.1 CCSc1ccc(C)cc1 Amb3542302 [1,1,0,0,0,0|1,0,0]=3 4791 B10R1.1 CCSc1ccc(C)cn1 Amb25762078 [1,1,0,0,0,0|2,0,0]=4 4792 B10R1.1 CCSc1ccc(F)cc1 Amb24621814 [1,1,0,0,0,0|1,0,0]=3 4793 B10R1.1 CCSc1ccc(N)cc1 Amb13949222 [1,1,0,0,0,0|1,0,0]=3 4794 B10R1.1 CCSc1ccc(N)cc1 Amb2099645 [1,1,0,0,0,0|1,0,0]=3 4795 B10R1.1 CCSc1ccc(N)cn1 Amb33534196 [1,1,0,0,0,0|2,0,0]=4 4796 B10R1.1 CCSc1ccc(N)nc1 Amb6680296 [1,1,0,0,0,0|2,0,0]=4 4797 B10R1.1 CCSc1ccc(O)cc1 Amb17202382 [1,1,0,0,0,0|1,0,0]=3 4798 B10R1.1 CCSc1ccc(S)cc1 Amb2687964 [1,1,0,0,0,0|1,0,0]=3 4799 B10R1.1 CNCC1=CNC(=O)C=C1 Amb29083367 [1,1,0,0,0,0|2,0,0]=4 4800 B10R1.1 CNCc1ccc(Br)cc1 Amb1209641 [1,1,0,0,0,0|1,0,0]=3 4801 B10R1.1 CNCc1ccc(Br)cc1 Amb17739893 [1,1,0,0,0,0|1,0,0]=3 4802 B10R1.1 CNCc1ccc(Br)cn1 Amb6572443 [1,1,0,0,0,0|2,0,0]=4 4803 B10R1.1 CNCc1ccc(Br)nc1 Amb21861666 [1,1,0,0,0,0|2,0,0]=4 4804 B10R1.1 CNCc1ccc(C)cc1 Amb1241142 [1,1,0,0,0,0|1,0,0]=3 4805 B10R1.1 CNCc1ccc(C)cc1 Amb8503283 [1,1,0,0,0,0|1,0,0]=3 4806 B10R1.1 CNCc1ccc(C)cn1 Amb33547339 [1,1,0,0,0,0|2,0,0]=4 4807 B10R1.1 CNCc1ccc(C)nc1 Amb29848183 [1,1,0,0,0,0|2,0,0]=4 4808 B10R1.1 CNCc1ccc(C)nc1 Amb8853680 [1,1,0,0,0,0|2,0,0]=4 4809 B10R1.1 CNCc1ccc(Cl)cc1 Amb1648458 [1,1,0,0,0,0|1,0,0]=3 4810 B10R1.1 CNCc1ccc(Cl)cc1 Amb17935917 [1,1,0,0,0,0|1,0,0]=3 4811 B10R1.1 CNCc1ccc(Cl)cn1 Amb22500681 [1,1,0,0,0,0|2,0,0]=4 4812 B10R1.1 CNCc1ccc(Cl)nc1 Amb19893050 [1,1,0,0,0,0|2,0,0]=4 4813 B10R1.1 CNCc1ccc(Cl)nc1 Amb6892240 [1,1,0,0,0,0|2,0,0]=4 4814 B10R1.1 CNCc1ccc(F)cc1 Amb1105922 [1,1,0,0,0,0|1,0,0]=3 4815 B10R1.1 CNCc1ccc(F)cc1 Amb9677313 [1,1,0,0,0,0|1,0,0]=3 4816 B10R1.1 CNCc1ccc(F)cn1 Amb25294948 [1,1,0,0,0,0|2,0,0]=4 4817 B10R1.1 CNCc1ccc(F)nc1 Amb24062505 [1,1,0,0,0,0|2,0,0]=4 4818 B10R1.1 CNCc1ccc(N)cc1 Amb2691278 [1,1,0,0,0,0|1,0,0]=3 4819 B10R1.1 CNCc1ccc(N)cn1 Amb28050288 [1,1,0,0,0,0|2,0,0]=4 4820 B10R1.1 CNCc1ccc(N)nc1 Amb23446332 [1,1,0,0,0,0|2,0,0]=4 4821 B10R1.1 CNCc1ccc(N)nc1 Amb35750125 [1,1,0,0,0,0|2,0,0]=4 4822 B10R1.1 CNCc1ccc(O)cc1 Amb1116278 [1,1,0,0,0,0|1,0,0]=3 4823 B10R1.1 CNCc1ccc(O)cc1 Amb7969770 [1,1,0,0,0,0|1,0,0]=3 4824 B10R1.1 CNCc1ccc(O)cc1 Amb8428171 [1,1,0,0,0,0|1,0,0]=3 4825 B10R1.1 CNCc1ccc(O)nc1 Amb23446663 [1,1,0,0,0,0|2,0,0]=4 4826 B10R1.1 CNCc1ccc(S)cc1 Amb28079262 [1,1,0,0,0,0|1,0,0]=3 4827 B10R1.1 COCC1=CNC(=O)C=C1 Amb27476354 [1,1,0,0,0,0|2,0,0]=4 4828 B10R1.1 COCc1ccc(Br)cc1 Amb18320178 [1,1,0,0,0,0|1,0,0]=3 4829 B10R1.1 COCc1ccc(Br)cn1 Amb24320752 [1,1,0,0,0,0|2,0,0]=4 4830 B10R1.1 COCc1ccc(Br)nc1 Amb20618626 [1,1,0,0,0,0|2,0,0]=4 4831 B10R1.1 COCc1ccc(Cl)cc1 Amb22497336 [1,1,0,0,0,0|1,0,0]=3 4832 B10R1.1 COCc1ccc(Cl)cn1 Amb27171300 [1,1,0,0,0,0|2,0,0]=4 4833 B10R1.1 COCc1ccc(Cl)nc1 Amb6247901 [1,1,0,0,0,0|2,0,0]=4 4834 B10R1.1 COCc1ccc(I)cc1 Amb22234050 [1,1,0,0,0,0|1,0,0]=3 4835 B10R1.1 COCc1ccc(N)cc1 Amb1137167 [1,1,0,0,0,0|1,0,0]=3 4836 B10R1.1 COCc1ccc(N)cn1 Amb27645328 [1,1,0,0,0,0|2,0,0]=4 4837 B10R1.1 COCc1ccc(O)cc1 Amb3939459 [1,1,0,0,0,0|1,0,0]=3 4838 B10R1.1 COCc1ccc(O)cn1 Amb24664312 [1,1,0,0,0,0|2,0,0]=4 4839 B10R1.1 COCc1ccc(S)cc1 Amb19149369 [1,1,0,0,0,0|1,0,0]=3 4840 B10R1.1 CON=C1C=CC(=O)C=C1 Amb3482963 [1,1,0,0,0,0|2,0,0]=4 4841 B10R1.1 CSCc1ccc(Br)cc1 Amb19373540 [1,1,0,0,0,0|1,0,0]=3 4842 B10R1.1 CSCc1ccc(Br)cn1 Amb27827358 [1,1,0,0,0,0|2,0,0]=4 4843 B10R1.1 CSCc1ccc(C)cc1 Amb16185125 [1,1,0,0,0,0|1,0,0]=3 4844 B10R1.1 CSCc1ccc(C)nc1 Amb28194917 [1,1,0,0,0,0|2,0,0]=4 4845 B10R1.1 CSCc1ccc(Cl)cc1 Amb4013182 [1,1,0,0,0,0|1,0,0]=3 4846 B10R1.1 CSCc1ccc(Cl)nc1 Amb15701444 [1,1,0,0,0,0|2,0,0]=4 4847 B10R1.1 CSCc1ccc(F)cc1 Amb27162448 [1,1,0,0,0,0|1,0,0]=3 4848 B10R1.1 CSCc1ccc(F)cn1 Amb28292082 [1,1,0,0,0,0|2,0,0]=4 4849 B10R1.1 CSCc1ccc(I)cc1 Amb25799869 [1,1,0,0,0,0|1,0,0]=3 4850 B10R1.1 CSCc1ccc(N)cc1 Amb18544980 [1,1,0,0,0,0|1,0,0]=3 4851 B10R1.1 CSCc1ccc(N)cn1 Amb35588880 [1,1,0,0,0,0|2,0,0]=4 4852 B10R1.1 CSCc1ccc(N)nc1 Amb18284372 [1,1,0,0,0,0|2,0,0]=4 4853 B10R1.1 C[n+]1ccc(CCF)cc1 Amb28197546 [1,1,0,0,0,0|2,0,0]=4 4854 B10R1.1 C\C=C\c1ccc(Br)cc1 Amb34050082 [1,1,0,0,0,0|0,0,2]=4 4855 B10R1.1 C\C=C\c1ccc(N)cc1 Amb26370017 [1,1,0,0,0,0|0,0,2]=4 4856 B10R1.1 C\C=C\c1ccc(N)cc1 Amb32653072 [1,1,0,0,0,0|0,0,2]=4 4857 B10R1.1 C\C=N\c1ccc(Cl)cc1 Amb27173616 [1,1,0,0,0,0|1,0,1]=4 4858 B10R1.1 C\N=C\c1ccc(Cl)cc1 Amb26890786 [1,1,0,0,0,0|1,0,1]=4 4859 B10R1.1 Cc1cc[n+](CCF)cc1 Amb27396575 [1,1,0,0,0,0|2,0,0]=4 4860 B10R1.1 Cc1ccc(CC#N)cc1 Amb6251339 [1,1,0,0,0,0|1,0,1]=4 4861 B10R1.1 Cc1ccc(CC=O)cc1 Amb3941002 [1,1,0,0,0,0|0,0,2]=4 4862 B10R1.1 Cc1ccc(CCBr)cc1 Amb2685165 [1,1,0,0,0,0|1,0,0]=3 4863 B10R1.1 Cc1ccc(CCBr)cn1 Amb24066233 [1,1,0,0,0,0|2,0,0]=4 4864 B10R1.1 Cc1ccc(CCBr)cn1 Amb35789293 [1,1,0,0,0,0|2,0,0]=4 4865 B10R1.1 Cc1ccc(CCBr)nc1 Amb27489433 [1,1,0,0,0,0|2,0,0]=4 4866 B10R1.1 Cc1ccc(CCCl)cc1 Amb9004312 [1,1,0,0,0,0|1,0,0]=3 4867 B10R1.1 Cc1ccc(CCCl)cn1 Amb24658933 [1,1,0,0,0,0|2,0,0]=4 4868 B10R1.1 Cc1ccc(CCI)cc1 Amb25096362 [1,1,0,0,0,0|1,0,0]=3 4869 B10R1.1 Cc1ccc(CCI)cn1 Amb28255765 [1,1,0,0,0,0|2,0,0]=4 4870 B10R1.1 Cc1ccc(CCI)nc1 Amb28195751 [1,1,0,0,0,0|2,0,0]=4 4871 B10R1.1 Cc1ccc(CCN)cc1 Amb1129454 [1,1,0,0,0,0|1,0,0]=3 4872 B10R1.1 Cc1ccc(CCN)cc1 Amb19261118 [1,1,0,0,0,0|1,0,0]=3 4873 B10R1.1 Cc1ccc(CCN)cn1 Amb10610554 [1,1,0,0,0,0|2,0,0]=4 4874 B10R1.1 Cc1ccc(CCN)nc1 Amb24065042 [1,1,0,0,0,0|2,0,0]=4 4875 B10R1.1 Cc1ccc(CCN)nc1 Amb32663333 [1,1,0,0,0,0|2,0,0]=4 4876 B10R1.1 Cc1ccc(CCN)nc1 Amb8386308 [1,1,0,0,0,0|2,0,0]=4 4877 B10R1.1 Cc1ccc(CCO)cc1 Amb3939097 [1,1,0,0,0,0|0,0,0]=2 4878 B10R1.1 Cc1ccc(CCO)cn1 Amb10603991 [1,1,0,0,0,0|1,0,0]=3 4879 B10R1.1 Cc1ccc(CCO)nc1 Amb2694542 [1,1,0,0,0,0|1,0,0]=3 4880 B10R1.1 Cc1ccc(CCS)cc1 Amb16183304 [1,1,0,0,0,0|0,1,0]=3 4881 B10R1.1 Cc1ccc(CCS)cn1 Amb24583128 [1,1,0,0,0,0|1,1,0]=4 4882 B10R1.1 Cc1ccc(CCS)nc1 Amb26979889 [1,1,0,0,0,0|1,1,0]=4 4883 B10R1.1 Cc1ccc(CNN)cc1 Amb1112560 [1,1,0,0,0,0|2,0,0]=4 4884 B10R1.1 Cc1ccc(CNN)cc1 Amb19890079 [1,1,0,0,0,0|2,0,0]=4 4885 B10R1.1 Cc1ccc(CNN)cc1 Amb21954052 [1,1,0,0,0,0|2,0,0]=4 4886 B10R1.1 Cc1ccc(CNO)cc1 Amb25798742 [1,1,0,0,0,0|1,0,0]=3 4887 B10R1.1 Cc1ccc(CNO)cn1 Amb25305252 [1,1,0,0,0,0|2,0,0]=4 4888 B10R1.1 Cc1ccc(CNO)nc1 Amb25145636 [1,1,0,0,0,0|2,0,0]=4 4889 B10R1.1 Cc1ccc(CON)cc1 Amb1946246 [1,1,0,0,0,0|2,0,0]=4 4890 B10R1.1 Cc1ccc(CON)cc1 Amb21929103 [1,1,0,0,0,0|2,0,0]=4 4891 B10R1.1 Cc1ccc(C[Zn]Cl)cc1 Amb22000457 [1,1,0,0,0,0|2,0,0]=4 4892 B10R1.1 Cc1ccc(NCN)cc1 Amb17117016 [1,1,0,0,0,0|2,0,0]=4 4893 B10R1.1 Cc1ccc(SCCl)cc1 Amb2694974 [1,1,0,0,0,0|2,0,0]=4 4894 B10R1.1 Cc1ccc(\C=N\O)cc1 Amb1152459 [1,1,0,0,0,0|1,0,1]=4 4895 B10R1.1 Cc1cnc(CCO)cn1 Amb25077347 [1,1,0,0,0,0|2,0,0]=4 4896 B10R1.1 ClCCc1ccc(Br)cc1 Amb8860568 [1,1,0,0,0,0|1,0,0]=3 4897 B10R1.1 ClCCc1ccc(Br)nc1 Amb27813093 [1,1,0,0,0,0|2,0,0]=4 4898 B10R1.1 ClCCc1ccc(Cl)cc1 Amb9004318 [1,1,0,0,0,0|1,0,0]=3 4899 B10R1.1 ClCCc1ccc(Cl)nc1 Amb25144552 [1,1,0,0,0,0|2,0,0]=4 4900 B10R1.1 ClCOc1ccc(Br)cc1 Amb26369456 [1,1,0,0,0,0|2,0,0]=4 4901 B10R1.1 ClCOc1ccc(Cl)cc1 Amb8513685 [1,1,0,0,0,0|2,0,0]=4 4902 B10R1.1 ClCOc1ccc(I)cc1 Amb26337011 [1,1,0,0,0,0|2,0,0]=4 4903 B10R1.1 ClCSc1ccc(Br)cc1 Amb25237152 [1,1,0,0,0,0|2,0,0]=4 4904 B10R1.1 ClCSc1ccc(Cl)cc1 Amb22351380 [1,1,0,0,0,0|2,0,0]=4 4905 B10R1.1 ClCSc1ccc(I)cc1 Amb26640379 [1,1,0,0,0,0|2,0,0]=4 4906 B10R1.1 Cl[Zn]Cc1ccc(Cl)cc1 Amb22000429 [1,1,0,0,0,0|2,0,0]=4 4907 B10R1.1 Clc1ccc(CCBr)cc1 Amb2685157 [1,1,0,0,0,0|1,0,0]=3 4908 B10R1.1 Clc1ccc(CCBr)cn1 Amb24741687 [1,1,0,0,0,0|2,0,0]=4 4909 B10R1.1 Clc1ccc(CCBr)nc1 Amb26370172 [1,1,0,0,0,0|2,0,0]=4 4910 B10R1.1 FCCc1ccc(Br)cc1 Amb25047426 [1,1,0,0,0,0|1,0,0]=3 4911 B10R1.1 FCOc1ccc(Br)cc1 Amb25918920 [1,1,0,0,0,0|2,0,0]=4 4912 B10R1.1 FCSc1ccc(Br)cc1 Amb27239229 [1,1,0,0,0,0|2,0,0]=4 4913 B10R1.1 Fc1ccc(CCBr)cc1 Amb2685160 [1,1,0,0,0,0|1,0,0]=3 4914 B10R1.1 Fc1ccc(CCBr)cn1 Amb33332987 [1,1,0,0,0,0|2,0,0]=4 4915 B10R1.1 Fc1ccc(CCBr)nc1 Amb33452085 [1,1,0,0,0,0|2,0,0]=4 4916 B10R1.1 Fc1ccc(CCCl)cc1 Amb2685902 [1,1,0,0,0,0|1,0,0]=3 4917 B10R1.1 Fc1ccc(CCI)cc1 Amb28315757 [1,1,0,0,0,0|1,0,0]=3 4918 B10R1.1 Fc1ccc(CCS)cc1 Amb17400005 [1,1,0,0,0,0|0,1,0]=3 4919 B10R1.1 Fc1ccc(CCS)cn1 Amb33425100 [1,1,0,0,0,0|1,1,0]=4 4920 B10R1.1 Fc1ccc(CCS)nc1 Amb33315235 [1,1,0,0,0,0|1,1,0]=4 4921 B10R1.1 Fc1ccc(C[Mg]Cl)cc1 Amb17938181 [1,1,0,0,0,0|2,0,0]=4 4922 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 Amb17938179 [1,1,0,0,0,0|2,0,0]=4 4923 B10R1.1 Fc1ccc(OCCl)cc1 Amb24538040 [1,1,0,0,0,0|2,0,0]=4 4924 B10R1.1 Fc1ccc(SCCl)cc1 Amb26585309 [1,1,0,0,0,0|2,0,0]=4 4925 B10R1.1 N#CCc1ccc(Br)cc1 Amb1130758 [1,1,0,0,0,0|1,0,1]=4 4926 B10R1.1 N#CCc1ccc(Cl)cc1 Amb1883007 [1,1,0,0,0,0|1,0,1]=4 4927 B10R1.1 N#CCc1ccc(F)cc1 Amb1154069 [1,1,0,0,0,0|1,0,1]=4 4928 B10R1.1 N#CCc1ccc(I)cc1 Amb3939808 [1,1,0,0,0,0|1,0,1]=4 4929 B10R1.1 N#CCc1ccc(N)cc1 Amb1215260 [1,1,0,0,0,0|1,0,1]=4 4930 B10R1.1 N#CCc1ccc(N)cc1 Amb6297246 [1,1,0,0,0,0|1,0,1]=4 4931 B10R1.1 N#CCc1ccc(O)cc1 Amb1154109 [1,1,0,0,0,0|1,0,1]=4 4932 B10R1.1 NCCC1=CNC(=O)C=C1 Amb18908312 [1,1,0,0,0,0|2,0,0]=4 4933 B10R1.1 NCCC1=CNC(=O)C=C1 Amb32652914 [1,1,0,0,0,0|2,0,0]=4 4934 B10R1.1 NCCC1=CNC(=O)C=C1 Amb32664228 [1,1,0,0,0,0|2,0,0]=4 4935 B10R1.1 NCCN1C=CC(=O)C=C1 Amb18534867 [1,1,0,0,0,0|2,0,0]=4 4936 B10R1.1 NCCc1cc[n+]([O-])cc1 Amb24471141 [1,1,0,0,0,0|2,0,0]=4 4937 B10R1.1 NCCc1ccc(Br)cc1 Amb10808111 [1,1,0,0,0,0|1,0,0]=3 4938 B10R1.1 NCCc1ccc(Br)cc1 Amb2685385 [1,1,0,0,0,0|1,0,0]=3 4939 B10R1.1 NCCc1ccc(Br)cc1 Amb3938967 [1,1,0,0,0,0|1,0,0]=3 4940 B10R1.1 NCCc1ccc(Br)cn1 Amb22751436 [1,1,0,0,0,0|2,0,0]=4 4941 B10R1.1 NCCc1ccc(Br)nc1 Amb22233813 [1,1,0,0,0,0|2,0,0]=4 4942 B10R1.1 NCCc1ccc(Cl)cc1 Amb1212558 [1,1,0,0,0,0|1,0,0]=3 4943 B10R1.1 NCCc1ccc(Cl)cc1 Amb22497649 [1,1,0,0,0,0|1,0,0]=3 4944 B10R1.1 NCCc1ccc(Cl)cn1 Amb22751421 [1,1,0,0,0,0|2,0,0]=4 4945 B10R1.1 NCCc1ccc(Cl)nc1 Amb19516101 [1,1,0,0,0,0|2,0,0]=4 4946 B10R1.1 NCCc1ccc(Cl)nc1 Amb31308448 [1,1,0,0,0,0|2,0,0]=4 4947 B10R1.1 NCCc1ccc(F)cc1 Amb1215262 [1,1,0,0,0,0|1,0,0]=3 4948 B10R1.1 NCCc1ccc(F)cn1 Amb22899431 [1,1,0,0,0,0|2,0,0]=4 4949 B10R1.1 NCCc1ccc(F)cn1 Amb8011392 [1,1,0,0,0,0|2,0,0]=4 4950 B10R1.1 NCCc1ccc(F)nc1 Amb25678845 [1,1,0,0,0,0|2,0,0]=4 4951 B10R1.1 NCCc1ccc(I)cc1 Amb19516023 [1,1,0,0,0,0|1,0,0]=3 4952 B10R1.1 NCCc1ccc(I)cc1 Amb28555584 [1,1,0,0,0,0|1,0,0]=3 4953 B10R1.1 NCCc1ccc(N)cc1 Amb17772211 [1,1,0,0,0,0|1,0,0]=3 4954 B10R1.1 NCCc1ccc(N)cc1 Amb4037003 [1,1,0,0,0,0|1,0,0]=3 4955 B10R1.1 NCCc1ccc(N)cn1 Amb27469582 [1,1,0,0,0,0|2,0,0]=4 4956 B10R1.1 NCCc1ccc(N)nc1 Amb32434775 [1,1,0,0,0,0|2,0,0]=4 4957 B10R1.1 NCCc1ccc(O)cc1 Amb17778990 [1,1,0,0,0,0|1,0,0]=3 4958 B10R1.1 NCCc1ccc(O)cc1 Amb33540244 [1,1,0,0,0,0|1,0,0]=3 4959 B10R1.1 NCCc1ccc(O)cc1 Amb533726 [1,1,0,0,0,0|1,0,0]=3 4960 B10R1.1 NCCc1ccc(O)cn1 Amb28399086 [1,1,0,0,0,0|2,0,0]=4 4961 B10R1.1 NCCc1ccc(O)cn1 Amb28555567 [1,1,0,0,0,0|2,0,0]=4 4962 B10R1.1 NNCc1ccc(Br)cc1 Amb1114984 [1,1,0,0,0,0|2,0,0]=4 4963 B10R1.1 NNCc1ccc(Br)cc1 Amb19893264 [1,1,0,0,0,0|2,0,0]=4 4964 B10R1.1 NNCc1ccc(Br)cc1 Amb23439145 [1,1,0,0,0,0|2,0,0]=4 4965 B10R1.1 NNCc1ccc(Cl)cc1 Amb1121233 [1,1,0,0,0,0|2,0,0]=4 4966 B10R1.1 NNCc1ccc(Cl)cc1 Amb19890158 [1,1,0,0,0,0|2,0,0]=4 4967 B10R1.1 NNCc1ccc(Cl)cc1 Amb20668069 [1,1,0,0,0,0|2,0,0]=4 4968 B10R1.1 NNCc1ccc(Cl)cc1 Amb21954056 [1,1,0,0,0,0|2,0,0]=4 4969 B10R1.1 NNCc1ccc(F)cc1 Amb10841872 [1,1,0,0,0,0|2,0,0]=4 4970 B10R1.1 NNCc1ccc(F)cc1 Amb1112880 [1,1,0,0,0,0|2,0,0]=4 4971 B10R1.1 NNCc1ccc(F)cc1 Amb19893258 [1,1,0,0,0,0|2,0,0]=4 4972 B10R1.1 NNCc1ccc(O)cc1 Amb27814030 [1,1,0,0,0,0|2,0,0]=4 4973 B10R1.1 NNCc1ccc(O)cc1 Amb32655872 [1,1,0,0,0,0|2,0,0]=4 4974 B10R1.1 NOCc1ccc(Br)cc1 Amb22234858 [1,1,0,0,0,0|2,0,0]=4 4975 B10R1.1 NOCc1ccc(Br)cc1 Amb8471896 [1,1,0,0,0,0|2,0,0]=4 4976 B10R1.1 NOCc1ccc(Cl)cc1 Amb10607411 [1,1,0,0,0,0|2,0,0]=4 4977 B10R1.1 NOCc1ccc(Cl)cc1 Amb19889791 [1,1,0,0,0,0|2,0,0]=4 4978 B10R1.1 NOCc1ccc(F)cc1 Amb17091427 [1,1,0,0,0,0|2,0,0]=4 4979 B10R1.1 NOCc1ccc(F)cc1 Amb19883929 [1,1,0,0,0,0|2,0,0]=4 4980 B10R1.1 NOCc1ccc(N)cc1 Amb28184708 [1,1,0,0,0,0|2,0,0]=4 4981 B10R1.1 NOCc1ccc(O)cc1 Amb8391701 [1,1,0,0,0,0|2,0,0]=4 4982 B10R1.1 Nc1ccc(CCBr)cc1 Amb17595296 [1,1,0,0,0,0|1,0,0]=3 4983 B10R1.1 Nc1ccc(CCBr)cc1 Amb24066884 [1,1,0,0,0,0|1,0,0]=3 4984 B10R1.1 Nc1ccc(CCO)cc1 Amb594608 [1,1,0,0,0,0|0,0,0]=2 4985 B10R1.1 Nc1ccc(CCO)cn1 Amb23446333 [1,1,0,0,0,0|1,0,0]=3 4986 B10R1.1 Nc1ccc(CCO)nc1 Amb24593512 [1,1,0,0,0,0|1,0,0]=3 4987 B10R1.1 Nc1ccc(OCF)cc1 Amb25887737 [1,1,0,0,0,0|2,0,0]=4 4988 B10R1.1 Nc1ccc(OCO)nc1 Amb33128029 [1,1,0,0,0,0|2,0,0]=4 4989 B10R1.1 Nc1ccc(SCCl)cc1 Amb25281595 [1,1,0,0,0,0|2,0,0]=4 4990 B10R1.1 Nc1ccc(\C=N\O)cc1 Amb28348427 [1,1,0,0,0,0|1,0,1]=4 4991 B10R1.1 Nc1ncc(CCO)cn1 Amb27173928 [1,1,0,0,0,0|2,0,0]=4 4992 B10R1.1 O=C1C=CC(CCO)=CO1 Amb27615745 [1,1,0,0,0,0|1,0,0]=3 4993 B10R1.1 O=C1C=CC(CCO)C=C1 Amb27770442 [1,1,0,0,0,0|0,0,1]=3 4994 B10R1.1 O=C1C=CN(CCBr)C=C1 Amb27233194 [1,1,0,0,0,0|2,0,0]=4 4995 B10R1.1 O=C1C=CN(CCCl)C=C1 Amb18177573 [1,1,0,0,0,0|2,0,0]=4 4996 B10R1.1 O=C1C=CN(CCS)C=C1 Amb28185809 [1,1,0,0,0,0|1,1,0]=4 4997 B10R1.1 O=C1N=CC(CCO)=CN1 Amb28555655 [1,1,0,0,0,0|2,0,0]=4 4998 B10R1.1 O=CCc1ccc(Br)cc1 Amb16230450 [1,1,0,0,0,0|0,0,2]=4 4999 B10R1.1 O=CCc1ccc(Cl)cc1 Amb10603161 [1,1,0,0,0,0|0,0,2]=4 5000 B10R1.1 O=CCc1ccc(F)cc1 Amb16230451 [1,1,0,0,0,0|0,0,2]=4 5001 B10R1.1 O=CCc1ccc(O)cc1 Amb9782679 [1,1,0,0,0,0|0,0,2]=4 5002 B10R1.1 OBCc1ccc(Cl)cc1 Amb28457057 [1,1,0,0,0,0|1,0,0]=3 5003 B10R1.1 OBCc1ccc(F)cc1 Amb27650835 [1,1,0,0,0,0|1,0,0]=3 5004 B10R1.1 OCCc1ccc(Br)cc1 Amb2726152 [1,1,0,0,0,0|0,0,0]=2 5005 B10R1.1 OCCc1ccc(Br)cn1 Amb21858814 [1,1,0,0,0,0|1,0,0]=3 5006 B10R1.1 OCCc1ccc(Br)nc1 Amb23569407 [1,1,0,0,0,0|1,0,0]=3 5007 B10R1.1 OCCc1ccc(Cl)cc1 Amb2780043 [1,1,0,0,0,0|0,0,0]=2 5008 B10R1.1 OCCc1ccc(Cl)cn1 Amb28424027 [1,1,0,0,0,0|1,0,0]=3 5009 B10R1.1 OCCc1ccc(Cl)nc1 Amb22752853 [1,1,0,0,0,0|1,0,0]=3 5010 B10R1.1 OCCc1ccc(F)cc1 Amb3939063 [1,1,0,0,0,0|0,0,0]=2 5011 B10R1.1 OCCc1ccc(F)cn1 Amb24426849 [1,1,0,0,0,0|1,0,0]=3 5012 B10R1.1 OCCc1ccc(F)nc1 Amb25063775 [1,1,0,0,0,0|1,0,0]=3 5013 B10R1.1 OCCc1ccc(I)cc1 Amb19668873 [1,1,0,0,0,0|0,0,0]=2 5014 B10R1.1 OCCc1ccc(I)nc1 Amb23446988 [1,1,0,0,0,0|1,0,0]=3 5015 B10R1.1 OCCc1ccc(O)cc1 Amb2725510 [1,1,0,0,0,0|0,0,0]=2 5016 B10R1.1 OCCc1ccc(S)nc1 Amb23446733 [1,1,0,0,0,0|1,0,0]=3 5017 B10R1.1 OCCc1cnc(F)nc1 Amb26851462 [1,1,0,0,0,0|2,0,0]=4 5018 B10R1.1 OCCc1cnc(O)nc1 Amb26957386 [1,1,0,0,0,0|2,0,0]=4 5019 B10R1.1 OCCc1cnc(S)nc1 Amb27755835 [1,1,0,0,0,0|2,0,0]=4 5020 B10R1.1 OCCc1ncc(Br)cn1 Amb22896759 [1,1,0,0,0,0|2,0,0]=4 5021 B10R1.1 OCCc1ncc(Cl)cn1 Amb27865986 [1,1,0,0,0,0|2,0,0]=4 5022 B10R1.1 OCCc1ncc(S)cn1 Amb1971491 [1,1,0,0,0,0|2,0,0]=4 5023 B10R1.1 ONCc1ccc(Br)cc1 Amb23449447 [1,1,0,0,0,0|1,0,0]=3 5024 B10R1.1 ONCc1ccc(Br)cn1 Amb27666709 [1,1,0,0,0,0|2,0,0]=4 5025 B10R1.1 ONCc1ccc(Br)nc1 Amb33387357 [1,1,0,0,0,0|2,0,0]=4 5026 B10R1.1 ONCc1ccc(Cl)cc1 Amb25145635 [1,1,0,0,0,0|1,0,0]=3 5027 B10R1.1 ONCc1ccc(Cl)nc1 Amb33261190 [1,1,0,0,0,0|2,0,0]=4 5028 B10R1.1 ONCc1ccc(F)cc1 Amb22157298 [1,1,0,0,0,0|1,0,0]=3 5029 B10R1.1 ONCc1ccc(F)cn1 Amb32954386 [1,1,0,0,0,0|2,0,0]=4 5030 B10R1.1 ONCc1ccc(F)nc1 Amb33426960 [1,1,0,0,0,0|2,0,0]=4 5031 B10R1.1 ONCc1ccc(O)cc1 Amb23449449 [1,1,0,0,0,0|1,0,0]=3 5032 B10R1.1 ONCc1ccc(O)cn1 Amb27455725 [1,1,0,0,0,0|2,0,0]=4 5033 B10R1.1 O\N=C\c1ccc(Br)cc1 Amb1152409 [1,1,0,0,0,0|1,0,1]=4 5034 B10R1.1 O\N=C\c1ccc(Cl)cc1 Amb1152205 [1,1,0,0,0,0|1,0,1]=4 5035 B10R1.1 O\N=C\c1ccc(Cl)cc1 Amb33714742 [1,1,0,0,0,0|1,0,1]=4 5036 B10R1.1 O\N=C\c1ccc(F)cc1 Amb33623403 [1,1,0,0,0,0|1,0,1]=4 5037 B10R1.1 O\N=C\c1ccc(I)cc1 Amb4035593 [1,1,0,0,0,0|1,0,1]=4 5038 B10R1.1 O\N=C\c1ccc(O)cc1 Amb5722541 [1,1,0,0,0,0|1,0,1]=4 5039 B10R1.1 Oc1ccc(CCBr)cc1 Amb5718179 [1,1,0,0,0,0|1,0,0]=3 5040 B10R1.1 Oc1ccc(CCF)cc1 Amb25735077 [1,1,0,0,0,0|1,0,0]=3 5041 B10R1.1 Oc1ccc(CCS)cc1 Amb25767004 [1,1,0,0,0,0|0,1,0]=3 5042 B10R1.1 Oc1ccc(OCF)cc1 Amb27599328 [1,1,0,0,0,0|2,0,0]=4 5043 B10R1.1 Oc1ccc(SCCl)cc1 Amb25936639 [1,1,0,0,0,0|2,0,0]=4 5044 B10R1.1 SCCc1ccc(Br)cc1 Amb17404679 [1,1,0,0,0,0|0,1,0]=3 5045 B10R1.1 SCCc1ccc(Br)cn1 Amb33477443 [1,1,0,0,0,0|1,1,0]=4 5046 B10R1.1 SCCc1ccc(Br)nc1 Amb33389188 [1,1,0,0,0,0|1,1,0]=4 5047 B10R1.1 SCCc1ccc(Cl)cc1 Amb17400376 [1,1,0,0,0,0|0,1,0]=3 5048 B10R1.1 SCCc1ccc(Cl)cn1 Amb33058825 [1,1,0,0,0,0|1,1,0]=4 5049 B10R1.1 SCCc1ccc(Cl)nc1 Amb33261706 [1,1,0,0,0,0|1,1,0]=4 5050 B10R1.1 [C-]#[N+]Cc1ccc(Br)cc1 Amb2684960 [1,1,0,0,0,0|1,0,1]=4 5051 B10R1.1 [C-]#[N+]Cc1ccc(C)cc1 Amb1981066 [1,1,0,0,0,0|1,0,1]=4 5052 B10R1.1 [C-]#[N+]Cc1ccc(Cl)cc1 Amb2235910 [1,1,0,0,0,0|1,0,1]=4 5053 B10R1.1 [C-]#[N+]Cc1ccc(F)cc1 Amb1981065 [1,1,0,0,0,0|1,0,1]=4 5054 B10R1.4 BrCCc1ccccc1Br Amb19515770 [1,1,0,0,0,0|1,0,0]=3 5055 B10R1.4 BrCCc1ccccc1I Amb25742518 [1,1,0,0,0,0|1,0,0]=3 5056 B10R1.4 BrCCc1cccnc1Br Amb33389472 [1,1,0,0,0,0|2,0,0]=4 5057 B10R1.4 BrCCc1ccncc1Br Amb33242646 [1,1,0,0,0,0|2,0,0]=4 5058 B10R1.4 BrCCc1ncccc1Br Amb33242278 [1,1,0,0,0,0|2,0,0]=4 5059 B10R1.4 C#CCc1ccccc1Br Amb33451964 [1,1,0,0,0,0|0,0,2]=4 5060 B10R1.4 C#CCc1ccccc1C Amb33449990 [1,1,0,0,0,0|0,0,2]=4 5061 B10R1.4 C#CCc1ccccc1Cl Amb33052524 [1,1,0,0,0,0|0,0,2]=4 5062 B10R1.4 C#CCc1ccccc1F Amb33456146 [1,1,0,0,0,0|0,0,2]=4 5063 B10R1.4 C#CCc1ccccc1O Amb24478360 [1,1,0,0,0,0|0,0,2]=4 5064 B10R1.4 C#NCc1ccccc1Br Amb31112144 [1,1,0,0,0,0|1,0,1]=4 5065 B10R1.4 C#NCc1ccccc1C Amb31132458 [1,1,0,0,0,0|1,0,1]=4 5066 B10R1.4 C#NCc1ccccc1Cl Amb31111982 [1,1,0,0,0,0|1,0,1]=4 5067 B10R1.4 C#NCc1ccccc1F Amb31132461 [1,1,0,0,0,0|1,0,1]=4 5068 B10R1.4 C=CCc1ccccc1Br Amb26451399 [1,1,0,0,0,0|0,0,2]=4 5069 B10R1.4 C=CCc1ccccc1C Amb6298985 [1,1,0,0,0,0|0,0,2]=4 5070 B10R1.4 C=CCc1ccccc1Cl Amb6298963 [1,1,0,0,0,0|0,0,2]=4 5071 B10R1.4 C=CCc1ccccc1F Amb6299090 [1,1,0,0,0,0|0,0,2]=4 5072 B10R1.4 C=CCc1ccccc1O Amb1971446 [1,1,0,0,0,0|0,0,2]=4 5073 B10R1.4 CC#Cc1ccccc1Cl Amb28384813 [1,1,0,0,0,0|0,0,2]=4 5074 B10R1.4 CCCN1C=CC=CC1=O Amb22730334 [1,1,0,0,0,0|1,0,0]=3 5075 B10R1.4 CCCN1C=CC=CC1=S Amb24480486 [1,1,0,0,0,0|1,0,0]=3 5076 B10R1.4 CCCN1C=CN=CC1=O Amb28047193 [1,1,0,0,0,0|2,0,0]=4 5077 B10R1.4 CCCc1ccccc1Br Amb26623759 [1,1,0,0,0,0|0,0,0]=2 5078 B10R1.4 CCCc1ccccc1C Amb22227985 [1,1,0,0,0,0|0,0,0]=2 5079 B10R1.4 CCCc1ccccc1Cl Amb28049677 [1,1,0,0,0,0|0,0,0]=2 5080 B10R1.4 CCCc1ccccc1I Amb20622716 [1,1,0,0,0,0|0,0,0]=2 5081 B10R1.4 CCCc1ccccc1N Amb2724372 [1,1,0,0,0,0|0,0,0]=2 5082 B10R1.4 CCCc1ccccc1O Amb2726171 [1,1,0,0,0,0|0,0,0]=2 5083 B10R1.4 CCCc1ccccc1S Amb32688038 [1,1,0,0,0,0|0,0,0]=2 5084 B10R1.4 CCCc1cccnc1Br Amb24319271 [1,1,0,0,0,0|1,0,0]=3 5085 B10R1.4 CCCc1cccnc1Cl Amb24319272 [1,1,0,0,0,0|1,0,0]=3 5086 B10R1.4 CCCc1cccnc1N Amb8386852 [1,1,0,0,0,0|1,0,0]=3 5087 B10R1.4 CCCc1cccnc1O Amb24319273 [1,1,0,0,0,0|1,0,0]=3 5088 B10R1.4 CCCc1ccncc1Br Amb24320559 [1,1,0,0,0,0|1,0,0]=3 5089 B10R1.4 CCCc1ccncc1N Amb18203088 [1,1,0,0,0,0|1,0,0]=3 5090 B10R1.4 CCCc1cnccc1Br Amb20617515 [1,1,0,0,0,0|1,0,0]=3 5091 B10R1.4 CCCc1cnccc1C Amb26366029 [1,1,0,0,0,0|1,0,0]=3 5092 B10R1.4 CCCc1cnccc1N Amb22522169 [1,1,0,0,0,0|1,0,0]=3 5093 B10R1.4 CCCc1cnccc1O Amb33189019 [1,1,0,0,0,0|1,0,0]=3 5094 B10R1.4 CCCc1cncnc1Br Amb24323117 [1,1,0,0,0,0|2,0,0]=4 5095 B10R1.4 CCCc1cncnc1Cl Amb10607977 [1,1,0,0,0,0|2,0,0]=4 5096 B10R1.4 CCCc1cncnc1N Amb25756869 [1,1,0,0,0,0|2,0,0]=4 5097 B10R1.4 CCCc1ncccc1Br Amb24320669 [1,1,0,0,0,0|1,0,0]=3 5098 B10R1.4 CCCc1ncccc1C Amb28293496 [1,1,0,0,0,0|1,0,0]=3 5099 B10R1.4 CCCc1ncccc1Cl Amb27968734 [1,1,0,0,0,0|1,0,0]=3 5100 B10R1.4 CCCc1ncccc1N Amb18832434 [1,1,0,0,0,0|1,0,0]=3 5101 B10R1.4 CCCc1ncccc1O Amb24320670 [1,1,0,0,0,0|1,0,0]=3 5102 B10R1.4 CCCc1nccnc1Br Amb27958765 [1,1,0,0,0,0|2,0,0]=4 5103 B10R1.4 CCCc1nccnc1C Amb8515907 [1,1,0,0,0,0|2,0,0]=4 5104 B10R1.4 CCCc1nccnc1Cl Amb27955319 [1,1,0,0,0,0|2,0,0]=4 5105 B10R1.4 CCCc1nccnc1F Amb35598360 [1,1,0,0,0,0|2,0,0]=4 5106 B10R1.4 CCCc1nccnc1I Amb35598358 [1,1,0,0,0,0|2,0,0]=4 5107 B10R1.4 CCCc1nccnc1N Amb27393644 [1,1,0,0,0,0|2,0,0]=4 5108 B10R1.4 CCCc1nccnc1O Amb18643252 [1,1,0,0,0,0|2,0,0]=4 5109 B10R1.4 CCCc1nccnc1S Amb35602544 [1,1,0,0,0,0|2,0,0]=4 5110 B10R1.4 CCCc1ncncc1Br Amb10068152 [1,1,0,0,0,0|2,0,0]=4 5111 B10R1.4 CCNc1ccccc1Br Amb6696453 [1,1,0,0,0,0|1,0,0]=3 5112 B10R1.4 CCNc1ccccc1C Amb4037021 [1,1,0,0,0,0|1,0,0]=3 5113 B10R1.4 CCNc1ccccc1Cl Amb32651858 [1,1,0,0,0,0|1,0,0]=3 5114 B10R1.4 CCNc1ccccc1Cl Amb4313295 [1,1,0,0,0,0|1,0,0]=3 5115 B10R1.4 CCNc1ccccc1F Amb2688341 [1,1,0,0,0,0|1,0,0]=3 5116 B10R1.4 CCNc1ccccc1I Amb9203660 [1,1,0,0,0,0|1,0,0]=3 5117 B10R1.4 CCNc1ccccc1N Amb29847532 [1,1,0,0,0,0|1,0,0]=3 5118 B10R1.4 CCNc1ccccc1N Amb7767530 [1,1,0,0,0,0|1,0,0]=3 5119 B10R1.4 CCNc1ccccc1O Amb18643152 [1,1,0,0,0,0|1,0,0]=3 5120 B10R1.4 CCNc1cccnc1Br Amb27616234 [1,1,0,0,0,0|2,0,0]=4 5121 B10R1.4 CCNc1cccnc1C Amb27224954 [1,1,0,0,0,0|2,0,0]=4 5122 B10R1.4 CCNc1cccnc1F Amb35725079 [1,1,0,0,0,0|2,0,0]=4 5123 B10R1.4 CCNc1cccnc1N Amb23557979 [1,1,0,0,0,0|2,0,0]=4 5124 B10R1.4 CCNc1cccnc1O Amb30633550 [1,1,0,0,0,0|2,0,0]=4 5125 B10R1.4 CCNc1ccncc1Br Amb28386593 [1,1,0,0,0,0|2,0,0]=4 5126 B10R1.4 CCNc1ccncc1N Amb9205237 [1,1,0,0,0,0|2,0,0]=4 5127 B10R1.4 CCNc1cnccc1C Amb26957116 [1,1,0,0,0,0|2,0,0]=4 5128 B10R1.4 CCNc1cnccc1C Amb28555476 [1,1,0,0,0,0|2,0,0]=4 5129 B10R1.4 CCNc1ncccc1Br Amb18955277 [1,1,0,0,0,0|2,0,0]=4 5130 B10R1.4 CCNc1ncccc1C Amb33529830 [1,1,0,0,0,0|2,0,0]=4 5131 B10R1.4 CCNc1ncccc1F Amb18963791 [1,1,0,0,0,0|2,0,0]=4 5132 B10R1.4 CCNc1ncccc1N Amb10609970 [1,1,0,0,0,0|2,0,0]=4 5133 B10R1.4 CCNc1ncccc1N Amb8630465 [1,1,0,0,0,0|2,0,0]=4 5134 B10R1.4 CCOC1=CC=CNC1=O Amb18537475 [1,1,0,0,0,0|2,0,0]=4 5135 B10R1.4 CCON1C=CC=CC1=S Amb25257642 [1,1,0,0,0,0|2,0,0]=4 5136 B10R1.4 CCOc1ccccc1Br Amb4010257 [1,1,0,0,0,0|1,0,0]=3 5137 B10R1.4 CCOc1ccccc1C Amb9787457 [1,1,0,0,0,0|1,0,0]=3 5138 B10R1.4 CCOc1ccccc1Cl Amb9787476 [1,1,0,0,0,0|1,0,0]=3 5139 B10R1.4 CCOc1ccccc1F Amb2688288 [1,1,0,0,0,0|1,0,0]=3 5140 B10R1.4 CCOc1ccccc1I Amb19888234 [1,1,0,0,0,0|1,0,0]=3 5141 B10R1.4 CCOc1ccccc1N Amb840072 [1,1,0,0,0,0|1,0,0]=3 5142 B10R1.4 CCOc1ccccc1O Amb3939539 [1,1,0,0,0,0|1,0,0]=3 5143 B10R1.4 CCOc1ccccc1S Amb20242711 [1,1,0,0,0,0|1,0,0]=3 5144 B10R1.4 CCOc1cccnc1Br Amb33547876 [1,1,0,0,0,0|2,0,0]=4 5145 B10R1.4 CCOc1cccnc1C Amb24057152 [1,1,0,0,0,0|2,0,0]=4 5146 B10R1.4 CCOc1cccnc1Cl Amb9175211 [1,1,0,0,0,0|2,0,0]=4 5147 B10R1.4 CCOc1cccnc1F Amb26359800 [1,1,0,0,0,0|2,0,0]=4 5148 B10R1.4 CCOc1cccnc1I Amb25681793 [1,1,0,0,0,0|2,0,0]=4 5149 B10R1.4 CCOc1cccnc1N Amb1102343 [1,1,0,0,0,0|2,0,0]=4 5150 B10R1.4 CCOc1ccncc1Br Amb8438924 [1,1,0,0,0,0|2,0,0]=4 5151 B10R1.4 CCOc1ccncc1F Amb2610080 [1,1,0,0,0,0|2,0,0]=4 5152 B10R1.4 CCOc1ccncc1I Amb24536249 [1,1,0,0,0,0|2,0,0]=4 5153 B10R1.4 CCOc1ccncc1N Amb7765083 [1,1,0,0,0,0|2,0,0]=4 5154 B10R1.4 CCOc1cnccc1C Amb27810354 [1,1,0,0,0,0|2,0,0]=4 5155 B10R1.4 CCOc1cnccc1N Amb21857560 [1,1,0,0,0,0|2,0,0]=4 5156 B10R1.4 CCOc1ncccc1Br Amb20242466 [1,1,0,0,0,0|2,0,0]=4 5157 B10R1.4 CCOc1ncccc1Cl Amb8439534 [1,1,0,0,0,0|2,0,0]=4 5158 B10R1.4 CCOc1ncccc1I Amb6565054 [1,1,0,0,0,0|2,0,0]=4 5159 B10R1.4 CCOc1ncccc1N Amb1136817 [1,1,0,0,0,0|2,0,0]=4 5160 B10R1.4 CCOc1ncccc1O Amb19895105 [1,1,0,0,0,0|2,0,0]=4 5161 B10R1.4 CCPc1ccccc1N Amb27637691 [1,1,0,0,0,0|1,0,0]=3 5162 B10R1.4 CCSC1=CC=CNC1=O Amb24478310 [1,1,0,0,0,0|2,0,0]=4 5163 B10R1.4 CCSc1cccc[n+]1[O-] Amb26887542 [1,1,0,0,0,0|2,0,0]=4 5164 B10R1.4 CCSc1ccccc1Br Amb20242712 [1,1,0,0,0,0|1,0,0]=3 5165 B10R1.4 CCSc1ccccc1C Amb27259108 [1,1,0,0,0,0|1,0,0]=3 5166 B10R1.4 CCSc1ccccc1Cl Amb26500521 [1,1,0,0,0,0|1,0,0]=3 5167 B10R1.4 CCSc1ccccc1F Amb24480376 [1,1,0,0,0,0|1,0,0]=3 5168 B10R1.4 CCSc1ccccc1N Amb10609429 [1,1,0,0,0,0|1,0,0]=3 5169 B10R1.4 CCSc1ccccc1N Amb6281496 [1,1,0,0,0,0|1,0,0]=3 5170 B10R1.4 CCSc1ccccc1O Amb33529393 [1,1,0,0,0,0|1,0,0]=3 5171 B10R1.4 CCSc1ccncc1Br Amb27975336 [1,1,0,0,0,0|2,0,0]=4 5172 B10R1.4 CCSc1ccncc1C Amb28386407 [1,1,0,0,0,0|2,0,0]=4 5173 B10R1.4 CCSc1ncccc1Br Amb25075348 [1,1,0,0,0,0|2,0,0]=4 5174 B10R1.4 CCSc1ncccc1C Amb26861471 [1,1,0,0,0,0|2,0,0]=4 5175 B10R1.4 CCSc1ncccc1I Amb32411437 [1,1,0,0,0,0|2,0,0]=4 5176 B10R1.4 CCSc1ncccc1N Amb6680288 [1,1,0,0,0,0|2,0,0]=4 5177 B10R1.4 CCSc1ncccc1O Amb10552831 [1,1,0,0,0,0|2,0,0]=4 5178 B10R1.4 CNCC1=CC=CNC1=O Amb18260767 [1,1,0,0,0,0|2,0,0]=4 5179 B10R1.4 CNCc1cccc[n+]1[O-] Amb27237288 [1,1,0,0,0,0|2,0,0]=4 5180 B10R1.4 CNCc1ccccc1Br Amb1210073 [1,1,0,0,0,0|1,0,0]=3 5181 B10R1.4 CNCc1ccccc1C Amb1648007 [1,1,0,0,0,0|1,0,0]=3 5182 B10R1.4 CNCc1ccccc1C Amb6865246 [1,1,0,0,0,0|1,0,0]=3 5183 B10R1.4 CNCc1ccccc1Cl Amb1694838 [1,1,0,0,0,0|1,0,0]=3 5184 B10R1.4 CNCc1ccccc1F Amb10609411 [1,1,0,0,0,0|1,0,0]=3 5185 B10R1.4 CNCc1ccccc1F Amb1675335 [1,1,0,0,0,0|1,0,0]=3 5186 B10R1.4 CNCc1ccccc1N Amb20239390 [1,1,0,0,0,0|1,0,0]=3 5187 B10R1.4 CNCc1ccccc1N Amb7173572 [1,1,0,0,0,0|1,0,0]=3 5188 B10R1.4 CNCc1ccccc1O Amb1113119 [1,1,0,0,0,0|1,0,0]=3 5189 B10R1.4 CNCc1ccccc1O Amb7969802 [1,1,0,0,0,0|1,0,0]=3 5190 B10R1.4 CNCc1cccnc1Br Amb25747185 [1,1,0,0,0,0|2,0,0]=4 5191 B10R1.4 CNCc1cccnc1C Amb18216945 [1,1,0,0,0,0|2,0,0]=4 5192 B10R1.4 CNCc1cccnc1Cl Amb10975541 [1,1,0,0,0,0|2,0,0]=4 5193 B10R1.4 CNCc1cccnc1Cl Amb21967911 [1,1,0,0,0,0|2,0,0]=4 5194 B10R1.4 CNCc1cccnc1F Amb28050213 [1,1,0,0,0,0|2,0,0]=4 5195 B10R1.4 CNCc1ccncc1Br Amb23412258 [1,1,0,0,0,0|2,0,0]=4 5196 B10R1.4 CNCc1ccncc1C Amb10607510 [1,1,0,0,0,0|2,0,0]=4 5197 B10R1.4 CNCc1ccncc1C Amb8503308 [1,1,0,0,0,0|2,0,0]=4 5198 B10R1.4 CNCc1ccncc1Cl Amb27803881 [1,1,0,0,0,0|2,0,0]=4 5199 B10R1.4 CNCc1ccncc1F Amb24398098 [1,1,0,0,0,0|2,0,0]=4 5200 B10R1.4 CNCc1cnccc1C Amb33547389 [1,1,0,0,0,0|2,0,0]=4 5201 B10R1.4 CNCc1cnccc1F Amb27806993 [1,1,0,0,0,0|2,0,0]=4 5202 B10R1.4 CNCc1cnccc1N Amb27226567 [1,1,0,0,0,0|2,0,0]=4 5203 B10R1.4 CNCc1ncccc1Br Amb28059958 [1,1,0,0,0,0|2,0,0]=4 5204 B10R1.4 CNCc1ncccc1C Amb3941175 [1,1,0,0,0,0|2,0,0]=4 5205 B10R1.4 CNCc1ncccc1Cl Amb26329059 [1,1,0,0,0,0|2,0,0]=4 5206 B10R1.4 CNCc1ncccc1F Amb2723488 [1,1,0,0,0,0|2,0,0]=4 5207 B10R1.4 CNCc1ncccc1O Amb27643801 [1,1,0,0,0,0|2,0,0]=4 5208 B10R1.4 COCc1ccccc1Br Amb8517636 [1,1,0,0,0,0|1,0,0]=3 5209 B10R1.4 COCc1ccccc1Cl Amb27425949 [1,1,0,0,0,0|1,0,0]=3 5210 B10R1.4 COCc1ccccc1F Amb28050262 [1,1,0,0,0,0|1,0,0]=3 5211 B10R1.4 COCc1ccccc1I Amb19373361 [1,1,0,0,0,0|1,0,0]=3 5212 B10R1.4 COCc1ccccc1N Amb6249470 [1,1,0,0,0,0|1,0,0]=3 5213 B10R1.4 COCc1ccccc1O Amb22751673 [1,1,0,0,0,0|1,0,0]=3 5214 B10R1.4 COCc1cccnc1N Amb18961776 [1,1,0,0,0,0|2,0,0]=4 5215 B10R1.4 COCc1ccncc1Br Amb24479286 [1,1,0,0,0,0|2,0,0]=4 5216 B10R1.4 COCc1ccncc1S Amb27199279 [1,1,0,0,0,0|2,0,0]=4 5217 B10R1.4 CSCN1C=CC=CC1=S Amb24502171 [1,1,0,0,0,0|2,0,0]=4 5218 B10R1.4 CSCc1ccccc1Br Amb4012755 [1,1,0,0,0,0|1,0,0]=3 5219 B10R1.4 CSCc1ccccc1Cl Amb27600716 [1,1,0,0,0,0|1,0,0]=3 5220 B10R1.4 CSCc1ccccc1F Amb27146597 [1,1,0,0,0,0|1,0,0]=3 5221 B10R1.4 CSCc1ccccc1I Amb26472202 [1,1,0,0,0,0|1,0,0]=3 5222 B10R1.4 CSCc1ccccc1N Amb18951025 [1,1,0,0,0,0|1,0,0]=3 5223 B10R1.4 CSCc1ccccc1O Amb18125792 [1,1,0,0,0,0|1,0,0]=3 5224 B10R1.4 CSCc1ccncc1C Amb27851528 [1,1,0,0,0,0|2,0,0]=4 5225 B10R1.4 CSCc1cnccc1O Amb27962918 [1,1,0,0,0,0|2,0,0]=4 5226 B10R1.4 C[n+]1ccccc1CCO Amb27173561 [1,1,0,0,0,0|1,0,0]=3 5227 B10R1.4 C\C=C\c1ccccc1Cl Amb22054732 [1,1,0,0,0,0|0,0,2]=4 5228 B10R1.4 C\C=C\c1ccccc1O Amb3372048 [1,1,0,0,0,0|0,0,2]=4 5229 B10R1.4 C\C=N\c1ccccc1N Amb24715815 [1,1,0,0,0,0|1,0,1]=4 5230 B10R1.4 C\N=C\c1ccccc1N Amb27619729 [1,1,0,0,0,0|1,0,1]=4 5231 B10R1.4 Cc1ccccc1CC#N Amb1651450 [1,1,0,0,0,0|1,0,1]=4 5232 B10R1.4 Cc1ccccc1CC=O Amb10844840 [1,1,0,0,0,0|0,0,2]=4 5233 B10R1.4 Cc1ccccc1CCBr Amb2685163 [1,1,0,0,0,0|1,0,0]=3 5234 B10R1.4 Cc1ccccc1CCCl Amb9004323 [1,1,0,0,0,0|1,0,0]=3 5235 B10R1.4 Cc1ccccc1CCI Amb27246006 [1,1,0,0,0,0|1,0,0]=3 5236 B10R1.4 Cc1ccccc1CCN Amb1212557 [1,1,0,0,0,0|1,0,0]=3 5237 B10R1.4 Cc1ccccc1CCN Amb20622598 [1,1,0,0,0,0|1,0,0]=3 5238 B10R1.4 Cc1ccccc1CCO Amb3939095 [1,1,0,0,0,0|0,0,0]=2 5239 B10R1.4 Cc1ccccc1CCS Amb17399938 [1,1,0,0,0,0|0,1,0]=3 5240 B10R1.4 Cc1ccccc1CNN Amb1118964 [1,1,0,0,0,0|2,0,0]=4 5241 B10R1.4 Cc1ccccc1CNN Amb6892665 [1,1,0,0,0,0|2,0,0]=4 5242 B10R1.4 Cc1ccccc1CNO Amb25343987 [1,1,0,0,0,0|1,0,0]=3 5243 B10R1.4 Cc1ccccc1CON Amb17091424 [1,1,0,0,0,0|2,0,0]=4 5244 B10R1.4 Cc1ccccc1CON Amb33715629 [1,1,0,0,0,0|2,0,0]=4 5245 B10R1.4 Cc1ccccc1C[Zn]Cl Amb22000455 [1,1,0,0,0,0|2,0,0]=4 5246 B10R1.4 Cc1ccccc1OCCl Amb27494113 [1,1,0,0,0,0|2,0,0]=4 5247 B10R1.4 Cc1ccccc1\C=N\O Amb1647706 [1,1,0,0,0,0|1,0,1]=4 5248 B10R1.4 Cc1cccnc1CCBr Amb24641164 [1,1,0,0,0,0|2,0,0]=4 5249 B10R1.4 Cc1cccnc1CCI Amb35711451 [1,1,0,0,0,0|2,0,0]=4 5250 B10R1.4 Cc1cccnc1CCN Amb1995200 [1,1,0,0,0,0|2,0,0]=4 5251 B10R1.4 Cc1cccnc1CCN Amb32662795 [1,1,0,0,0,0|2,0,0]=4 5252 B10R1.4 Cc1cccnc1CCN Amb32664156 [1,1,0,0,0,0|2,0,0]=4 5253 B10R1.4 Cc1cccnc1CCO Amb2694545 [1,1,0,0,0,0|1,0,0]=3 5254 B10R1.4 Cc1cccnc1CCS Amb33361011 [1,1,0,0,0,0|1,1,0]=4 5255 B10R1.4 Cc1cccnc1CNO Amb33429076 [1,1,0,0,0,0|2,0,0]=4 5256 B10R1.4 Cc1ccncc1CCBr Amb24693233 [1,1,0,0,0,0|2,0,0]=4 5257 B10R1.4 Cc1ccncc1CCCl Amb27875306 [1,1,0,0,0,0|2,0,0]=4 5258 B10R1.4 Cc1ccncc1CCN Amb18832435 [1,1,0,0,0,0|2,0,0]=4 5259 B10R1.4 Cc1ccncc1CCO Amb27467536 [1,1,0,0,0,0|1,0,0]=3 5260 B10R1.4 Cc1ccncc1CCS Amb33375261 [1,1,0,0,0,0|1,1,0]=4 5261 B10R1.4 Cc1ccncc1CNO Amb25135601 [1,1,0,0,0,0|2,0,0]=4 5262 B10R1.4 Cc1cnccc1CCBr Amb24548352 [1,1,0,0,0,0|2,0,0]=4 5263 B10R1.4 Cc1cnccc1CCN Amb22059435 [1,1,0,0,0,0|2,0,0]=4 5264 B10R1.4 Cc1cnccc1CCO Amb26539673 [1,1,0,0,0,0|1,0,0]=3 5265 B10R1.4 Cc1cnccc1CCS Amb25197336 [1,1,0,0,0,0|1,1,0]=4 5266 B10R1.4 Cc1cnccc1CNO Amb26925533 [1,1,0,0,0,0|2,0,0]=4 5267 B10R1.4 Cc1ncccc1CCBr Amb33432583 [1,1,0,0,0,0|2,0,0]=4 5268 B10R1.4 Cc1ncccc1CCN Amb18203091 [1,1,0,0,0,0|2,0,0]=4 5269 B10R1.4 Cc1ncccc1CCO Amb24061576 [1,1,0,0,0,0|1,0,0]=3 5270 B10R1.4 Cc1ncccc1CCS Amb32878314 [1,1,0,0,0,0|1,1,0]=4 5271 B10R1.4 Cc1ncccc1CNO Amb32880816 [1,1,0,0,0,0|2,0,0]=4 5272 B10R1.4 Cc1nccnc1CCO Amb2695470 [1,1,0,0,0,0|2,0,0]=4 5273 B10R1.4 Cc1ncncc1CCO Amb24063133 [1,1,0,0,0,0|2,0,0]=4 5274 B10R1.4 ClCCc1ccccc1Br Amb24644893 [1,1,0,0,0,0|1,0,0]=3 5275 B10R1.4 ClCCc1ccccc1Cl Amb8860565 [1,1,0,0,0,0|1,0,0]=3 5276 B10R1.4 ClCCc1ccccc1I Amb24742826 [1,1,0,0,0,0|1,0,0]=3 5277 B10R1.4 ClCCc1cccnc1Cl Amb33329271 [1,1,0,0,0,0|2,0,0]=4 5278 B10R1.4 ClCCc1ccncc1Cl Amb27615771 [1,1,0,0,0,0|2,0,0]=4 5279 B10R1.4 ClCOc1ccccc1Br Amb26889271 [1,1,0,0,0,0|2,0,0]=4 5280 B10R1.4 ClCOc1ccccc1Cl Amb22227923 [1,1,0,0,0,0|2,0,0]=4 5281 B10R1.4 ClCOc1ccccc1I Amb28187723 [1,1,0,0,0,0|2,0,0]=4 5282 B10R1.4 ClCSc1ccccc1Br Amb25887879 [1,1,0,0,0,0|2,0,0]=4 5283 B10R1.4 ClCSc1ccccc1Cl Amb28137812 [1,1,0,0,0,0|2,0,0]=4 5284 B10R1.4 ClCSc1ccccc1I Amb27641365 [1,1,0,0,0,0|2,0,0]=4 5285 B10R1.4 Cl[Zn]Cc1ccccc1Cl Amb22000427 [1,1,0,0,0,0|2,0,0]=4 5286 B10R1.4 Clc1ccccc1CCBr Amb2685155 [1,1,0,0,0,0|1,0,0]=3 5287 B10R1.4 Clc1cnccc1CCBr Amb25076266 [1,1,0,0,0,0|2,0,0]=4 5288 B10R1.4 Clc1ncccc1CCBr Amb33389001 [1,1,0,0,0,0|2,0,0]=4 5289 B10R1.4 FCCc1ccccc1I Amb22739042 [1,1,0,0,0,0|1,0,0]=3 5290 B10R1.4 Fc1ccccc1CCBr Amb2685159 [1,1,0,0,0,0|1,0,0]=3 5291 B10R1.4 Fc1ccccc1CCCl Amb8860569 [1,1,0,0,0,0|1,0,0]=3 5292 B10R1.4 Fc1ccccc1CCI Amb28248386 [1,1,0,0,0,0|1,0,0]=3 5293 B10R1.4 Fc1ccccc1CCS Amb17400004 [1,1,0,0,0,0|0,1,0]=3 5294 B10R1.4 Fc1ccccc1C[Mg]Cl Amb6300393 [1,1,0,0,0,0|2,0,0]=4 5295 B10R1.4 Fc1ccccc1C[Zn]Cl Amb17672035 [1,1,0,0,0,0|2,0,0]=4 5296 B10R1.4 Fc1ccccc1OCCl Amb25356820 [1,1,0,0,0,0|2,0,0]=4 5297 B10R1.4 Fc1ccccc1SCCl Amb27447816 [1,1,0,0,0,0|2,0,0]=4 5298 B10R1.4 Fc1cccnc1CCBr Amb33337356 [1,1,0,0,0,0|2,0,0]=4 5299 B10R1.4 Fc1cccnc1CCS Amb33327466 [1,1,0,0,0,0|1,1,0]=4 5300 B10R1.4 Fc1cnccc1CCBr Amb25172854 [1,1,0,0,0,0|2,0,0]=4 5301 B10R1.4 Fc1cnccc1CCS Amb33316476 [1,1,0,0,0,0|1,1,0]=4 5302 B10R1.4 Fc1ncccc1CCBr Amb33450421 [1,1,0,0,0,0|2,0,0]=4 5303 B10R1.4 Fc1ncccc1CCS Amb33376783 [1,1,0,0,0,0|1,1,0]=4 5304 B10R1.4 N#CCc1ccccc1Br Amb1140623 [1,1,0,0,0,0|1,0,1]=4 5305 B10R1.4 N#CCc1ccccc1Cl Amb1644930 [1,1,0,0,0,0|1,0,1]=4 5306 B10R1.4 N#CCc1ccccc1F Amb2688304 [1,1,0,0,0,0|1,0,1]=4 5307 B10R1.4 N#CCc1ccccc1I Amb3939789 [1,1,0,0,0,0|1,0,1]=4 5308 B10R1.4 N#CCc1ccccc1N Amb17607888 [1,1,0,0,0,0|1,0,1]=4 5309 B10R1.4 N#CCc1ccccc1N Amb3997244 [1,1,0,0,0,0|1,0,1]=4 5310 B10R1.4 N#CCc1ccccc1O Amb18642921 [1,1,0,0,0,0|1,0,1]=4 5311 B10R1.4 N#CCc1ccccc1S Amb27490861 [1,1,0,0,0,0|1,0,1]=4 5312 B10R1.4 N=C1C=CC=CN1CCO Amb18548415 [1,1,0,0,0,0|1,0,0]=3 5313 B10R1.4 N=CCc1ccccc1N Amb27175164 [1,1,0,0,0,0|1,0,1]=4 5314 B10R1.4 NCCN1C=CC=CC1=O Amb18535437 [1,1,0,0,0,0|2,0,0]=4 5315 B10R1.4 NCCN1C=CC=CC1=O Amb19514535 [1,1,0,0,0,0|2,0,0]=4 5316 B10R1.4 NCCN1C=CC=CC1=O Amb20668789 [1,1,0,0,0,0|2,0,0]=4 5317 B10R1.4 NCCc1ccccc1Br Amb22395128 [1,1,0,0,0,0|1,0,0]=3 5318 B10R1.4 NCCc1ccccc1Br Amb4605963 [1,1,0,0,0,0|1,0,0]=3 5319 B10R1.4 NCCc1ccccc1Cl Amb22490604 [1,1,0,0,0,0|1,0,0]=3 5320 B10R1.4 NCCc1ccccc1Cl Amb2686343 [1,1,0,0,0,0|1,0,0]=3 5321 B10R1.4 NCCc1ccccc1F Amb22039505 [1,1,0,0,0,0|1,0,0]=3 5322 B10R1.4 NCCc1ccccc1F Amb421247 [1,1,0,0,0,0|1,0,0]=3 5323 B10R1.4 NCCc1ccccc1I Amb27796258 [1,1,0,0,0,0|1,0,0]=3 5324 B10R1.4 NCCc1ccccc1N Amb8631277 [1,1,0,0,0,0|1,0,0]=3 5325 B10R1.4 NCCc1ccccc1N Amb8631278 [1,1,0,0,0,0|1,0,0]=3 5326 B10R1.4 NCCc1ccccc1O Amb33549438 [1,1,0,0,0,0|1,0,0]=3 5327 B10R1.4 NCCc1ccccc1O Amb6246475 [1,1,0,0,0,0|1,0,0]=3 5328 B10R1.4 NCCc1cccnc1Br Amb25190186 [1,1,0,0,0,0|2,0,0]=4 5329 B10R1.4 NCCc1cccnc1Cl Amb24551153 [1,1,0,0,0,0|2,0,0]=4 5330 B10R1.4 NCCc1cccnc1Cl Amb33299325 [1,1,0,0,0,0|2,0,0]=4 5331 B10R1.4 NCCc1cccnc1F Amb24062493 [1,1,0,0,0,0|2,0,0]=4 5332 B10R1.4 NCCc1cccnc1N Amb25714008 [1,1,0,0,0,0|2,0,0]=4 5333 B10R1.4 NCCc1cccnc1O Amb26550960 [1,1,0,0,0,0|2,0,0]=4 5334 B10R1.4 NCCc1ccncc1Br Amb26565968 [1,1,0,0,0,0|2,0,0]=4 5335 B10R1.4 NCCc1ccncc1Cl Amb23596506 [1,1,0,0,0,0|2,0,0]=4 5336 B10R1.4 NCCc1ccncc1F Amb24383725 [1,1,0,0,0,0|2,0,0]=4 5337 B10R1.4 NCCc1ccncc1N Amb28423471 [1,1,0,0,0,0|2,0,0]=4 5338 B10R1.4 NCCc1cnccc1Br Amb27793514 [1,1,0,0,0,0|2,0,0]=4 5339 B10R1.4 NCCc1cnccc1F Amb25721852 [1,1,0,0,0,0|2,0,0]=4 5340 B10R1.4 NCCc1ncccc1Br Amb24183541 [1,1,0,0,0,0|2,0,0]=4 5341 B10R1.4 NCCc1ncccc1Cl Amb18200051 [1,1,0,0,0,0|2,0,0]=4 5342 B10R1.4 NCCc1ncccc1F Amb33537364 [1,1,0,0,0,0|2,0,0]=4 5343 B10R1.4 NCCc1ncccc1F Amb8011391 [1,1,0,0,0,0|2,0,0]=4 5344 B10R1.4 NCCc1ncccc1N Amb25915119 [1,1,0,0,0,0|2,0,0]=4 5345 B10R1.4 NCCc1ncccc1O Amb26588910 [1,1,0,0,0,0|2,0,0]=4 5346 B10R1.4 NNCc1ccccc1Br Amb1116234 [1,1,0,0,0,0|2,0,0]=4 5347 B10R1.4 NNCc1ccccc1Br Amb19893262 [1,1,0,0,0,0|2,0,0]=4 5348 B10R1.4 NNCc1ccccc1Cl Amb21959997 [1,1,0,0,0,0|2,0,0]=4 5349 B10R1.4 NNCc1ccccc1Cl Amb4008405 [1,1,0,0,0,0|2,0,0]=4 5350 B10R1.4 NNCc1ccccc1Cl Amb5400451 [1,1,0,0,0,0|2,0,0]=4 5351 B10R1.4 NNCc1ccccc1F Amb19893256 [1,1,0,0,0,0|2,0,0]=4 5352 B10R1.4 NNCc1ccccc1F Amb33553561 [1,1,0,0,0,0|2,0,0]=4 5353 B10R1.4 NNCc1ccccc1F Amb6247906 [1,1,0,0,0,0|2,0,0]=4 5354 B10R1.4 NNCc1ccccc1O Amb24681968 [1,1,0,0,0,0|2,0,0]=4 5355 B10R1.4 NOCc1ccccc1Br Amb17091454 [1,1,0,0,0,0|2,0,0]=4 5356 B10R1.4 NOCc1ccccc1Br Amb21929112 [1,1,0,0,0,0|2,0,0]=4 5357 B10R1.4 NOCc1ccccc1Cl Amb19889789 [1,1,0,0,0,0|2,0,0]=4 5358 B10R1.4 NOCc1ccccc1Cl Amb8471898 [1,1,0,0,0,0|2,0,0]=4 5359 B10R1.4 NOCc1ccccc1F Amb19894376 [1,1,0,0,0,0|2,0,0]=4 5360 B10R1.4 NOCc1ccccc1F Amb8471897 [1,1,0,0,0,0|2,0,0]=4 5361 B10R1.4 NOCc1ccccc1I Amb22235087 [1,1,0,0,0,0|2,0,0]=4 5362 B10R1.4 NOCc1ccccc1I Amb27445122 [1,1,0,0,0,0|2,0,0]=4 5363 B10R1.4 NOCc1ccccc1O Amb24502260 [1,1,0,0,0,0|2,0,0]=4 5364 B10R1.4 Nc1ccccc1CCBr Amb24079731 [1,1,0,0,0,0|1,0,0]=3 5365 B10R1.4 Nc1ccccc1CCCl Amb28204640 [1,1,0,0,0,0|1,0,0]=3 5366 B10R1.4 Nc1ccccc1CCO Amb33733822 [1,1,0,0,0,0|0,0,0]=2 5367 B10R1.4 Nc1ccccc1CCO Amb4605841 [1,1,0,0,0,0|0,0,0]=2 5368 B10R1.4 Nc1ccccc1SCCl Amb25720293 [1,1,0,0,0,0|2,0,0]=4 5369 B10R1.4 Nc1ccccc1\C=N\O Amb2608949 [1,1,0,0,0,0|1,0,1]=4 5370 B10R1.4 Nc1cccnc1CCO Amb26398866 [1,1,0,0,0,0|1,0,0]=3 5371 B10R1.4 Nc1ccncc1CCF Amb26001806 [1,1,0,0,0,0|2,0,0]=4 5372 B10R1.4 Nc1ccncc1CCO Amb24062498 [1,1,0,0,0,0|1,0,0]=3 5373 B10R1.4 Nc1ncccc1CCCl Amb27256835 [1,1,0,0,0,0|2,0,0]=4 5374 B10R1.4 Nc1ncccc1CCO Amb21858404 [1,1,0,0,0,0|1,0,0]=3 5375 B10R1.4 O=C1C=CC=CN1CCBr Amb19514604 [1,1,0,0,0,0|2,0,0]=4 5376 B10R1.4 O=C1C=CC=CN1CCBr Amb33299911 [1,1,0,0,0,0|2,0,0]=4 5377 B10R1.4 O=C1C=CC=CN1CCCl Amb18787739 [1,1,0,0,0,0|2,0,0]=4 5378 B10R1.4 O=C1C=CC=CN1CCF Amb27426877 [1,1,0,0,0,0|2,0,0]=4 5379 B10R1.4 O=C1C=CC=CN1CCI Amb28254877 [1,1,0,0,0,0|2,0,0]=4 5380 B10R1.4 O=C1C=CC=CN1CCO Amb18041231 [1,1,0,0,0,0|1,0,0]=3 5381 B10R1.4 O=C1C=CC=NN1CCO Amb24591459 [1,1,0,0,0,0|2,0,0]=4 5382 B10R1.4 O=C1C=CN=CN1CCO Amb25263218 [1,1,0,0,0,0|2,0,0]=4 5383 B10R1.4 O=C1C=NC=CN1CCO Amb27206460 [1,1,0,0,0,0|2,0,0]=4 5384 B10R1.4 O=C1NC=CC=C1CCO Amb27241736 [1,1,0,0,0,0|1,0,0]=3 5385 B10R1.4 O=CCc1ccccc1Br Amb18634182 [1,1,0,0,0,0|0,0,2]=4 5386 B10R1.4 O=CCc1ccccc1Cl Amb16230448 [1,1,0,0,0,0|0,0,2]=4 5387 B10R1.4 O=CCc1ccccc1F Amb10844839 [1,1,0,0,0,0|0,0,2]=4 5388 B10R1.4 O=CCc1ccccc1O Amb6739922 [1,1,0,0,0,0|0,0,2]=4 5389 B10R1.4 O=c1ccccn1CCCl Amb22274576 [1,1,0,0,0,0|2,0,0]=4 5390 B10R1.4 OCCN1C=CC=CC1=S Amb25065240 [1,1,0,0,0,0|1,0,0]=3 5391 B10R1.4 OCCc1ccccc1Br Amb3939212 [1,1,0,0,0,0|0,0,0]=2 5392 B10R1.4 OCCc1ccccc1Cl Amb3939106 [1,1,0,0,0,0|0,0,0]=2 5393 B10R1.4 OCCc1ccccc1F Amb2688283 [1,1,0,0,0,0|0,0,0]=2 5394 B10R1.4 OCCc1ccccc1I Amb22753529 [1,1,0,0,0,0|0,0,0]=2 5395 B10R1.4 OCCc1ccccc1O Amb3940101 [1,1,0,0,0,0|0,0,0]=2 5396 B10R1.4 OCCc1cccnc1Br Amb27200606 [1,1,0,0,0,0|1,0,0]=3 5397 B10R1.4 OCCc1cccnc1Cl Amb28050705 [1,1,0,0,0,0|1,0,0]=3 5398 B10R1.4 OCCc1cccnc1F Amb24513826 [1,1,0,0,0,0|1,0,0]=3 5399 B10R1.4 OCCc1ccncc1Br Amb24482101 [1,1,0,0,0,0|1,0,0]=3 5400 B10R1.4 OCCc1ccncc1Cl Amb25890041 [1,1,0,0,0,0|1,0,0]=3 5401 B10R1.4 OCCc1ccncc1F Amb25776747 [1,1,0,0,0,0|1,0,0]=3 5402 B10R1.4 OCCc1cnccc1F Amb25865877 [1,1,0,0,0,0|1,0,0]=3 5403 B10R1.4 OCCc1ncccc1Br Amb22896751 [1,1,0,0,0,0|1,0,0]=3 5404 B10R1.4 OCCc1ncccc1Cl Amb28288389 [1,1,0,0,0,0|1,0,0]=3 5405 B10R1.4 OCCc1ncccc1F Amb26024787 [1,1,0,0,0,0|1,0,0]=3 5406 B10R1.4 ONCc1ccccc1Br Amb23449448 [1,1,0,0,0,0|1,0,0]=3 5407 B10R1.4 ONCc1ccccc1Cl Amb25729506 [1,1,0,0,0,0|1,0,0]=3 5408 B10R1.4 ONCc1ccccc1Cl Amb32679300 [1,1,0,0,0,0|1,0,0]=3 5409 B10R1.4 ONCc1ccccc1F Amb27252972 [1,1,0,0,0,0|1,0,0]=3 5410 B10R1.4 ONCc1ccccc1O Amb25128279 [1,1,0,0,0,0|1,0,0]=3 5411 B10R1.4 ONCc1cccnc1Br Amb33387397 [1,1,0,0,0,0|2,0,0]=4 5412 B10R1.4 ONCc1cccnc1Cl Amb21847006 [1,1,0,0,0,0|2,0,0]=4 5413 B10R1.4 ONCc1cccnc1F Amb33378660 [1,1,0,0,0,0|2,0,0]=4 5414 B10R1.4 ONCc1ccncc1Br Amb33242569 [1,1,0,0,0,0|2,0,0]=4 5415 B10R1.4 ONCc1ccncc1Cl Amb33052755 [1,1,0,0,0,0|2,0,0]=4 5416 B10R1.4 ONCc1ccncc1F Amb33318031 [1,1,0,0,0,0|2,0,0]=4 5417 B10R1.4 ONCc1ncccc1Br Amb33485075 [1,1,0,0,0,0|2,0,0]=4 5418 B10R1.4 ONCc1ncccc1F Amb33420499 [1,1,0,0,0,0|2,0,0]=4 5419 B10R1.4 O\N=C/c1ccccc1Br Amb25247795 [1,1,0,0,0,0|1,0,1]=4 5420 B10R1.4 O\N=C/c1ccccc1Cl Amb28239726 [1,1,0,0,0,0|1,0,1]=4 5421 B10R1.4 O\N=C\c1ccccc1Br Amb33788652 [1,1,0,0,0,0|1,0,1]=4 5422 B10R1.4 O\N=C\c1ccccc1Cl Amb1152026 [1,1,0,0,0,0|1,0,1]=4 5423 B10R1.4 O\N=C\c1ccccc1F Amb30585239 [1,1,0,0,0,0|1,0,1]=4 5424 B10R1.4 O\N=C\c1ccccc1I Amb1782090 [1,1,0,0,0,0|1,0,1]=4 5425 B10R1.4 O\N=C\c1ccccc1O Amb6608695 [1,1,0,0,0,0|1,0,1]=4 5426 B10R1.4 Oc1ccccc1CCBr Amb33549255 [1,1,0,0,0,0|1,0,0]=3 5427 B10R1.4 Oc1ccccc1CCI Amb25208761 [1,1,0,0,0,0|1,0,0]=3 5428 B10R1.4 Oc1ccccc1CCS Amb24362789 [1,1,0,0,0,0|0,1,0]=3 5429 B10R1.4 Oc1ccccc1SCCl Amb28204207 [1,1,0,0,0,0|2,0,0]=4 5430 B10R1.4 SCCc1ccccc1Br Amb25851259 [1,1,0,0,0,0|0,1,0]=3 5431 B10R1.4 SCCc1ccccc1Cl Amb17400374 [1,1,0,0,0,0|0,1,0]=3 5432 B10R1.4 SCCc1ccccc1I Amb24089655 [1,1,0,0,0,0|0,1,0]=3 5433 B10R1.4 SCCc1cccnc1Br Amb33388044 [1,1,0,0,0,0|1,1,0]=4 5434 B10R1.4 SCCc1cccnc1Cl Amb33257708 [1,1,0,0,0,0|1,1,0]=4 5435 B10R1.4 SCCc1ccncc1Br Amb33389013 [1,1,0,0,0,0|1,1,0]=4 5436 B10R1.4 SCCc1ccncc1Cl Amb33413845 [1,1,0,0,0,0|1,1,0]=4 5437 B10R1.4 SCCc1ncccc1Br Amb33336357 [1,1,0,0,0,0|1,1,0]=4 5438 B10R1.4 Sc1ccccc1CCBr Amb27450103 [1,1,0,0,0,0|1,0,0]=3 5439 B10R1.4 Sc1ccccc1CCCl Amb27776252 [1,1,0,0,0,0|1,0,0]=3 5440 B10R1.4 [C-]#[N+]Cc1ccccc1Br Amb3973085 [1,1,0,0,0,0|1,0,1]=4 5441 B10R1.4 [C-]#[N+]Cc1ccccc1C Amb2689349 [1,1,0,0,0,0|1,0,1]=4 5442 B10R1.4 [C-]#[N+]Cc1ccccc1Cl Amb2685776 [1,1,0,0,0,0|1,0,1]=4 5443 B10R1.4 [C-]#[N+]Cc1ccccc1F Amb2688050 [1,1,0,0,0,0|1,0,1]=4 5444 B10R1.4 [C-]#[N+]Cc1ccccc1O Amb28048077 [1,1,0,0,0,0|1,0,1]=4 5445 B10R1.4 [NH3+]CCc1ccccc1Cl Amb33512987 [1,1,0,0,0,0|1,0,0]=3 5446 B10R1.4 [NH3+]OCc1ccccc1Br Amb2414824 [1,1,0,0,0,0|2,0,0]=4 5447 B10R1.4 [O-][n+]1ccccc1CCO Amb541137 [1,1,0,0,0,0|1,0,0]=3 5448 B10R1.10 BrCCc1cccc(Br)c1 Amb18048758 [1,1,0,0,0,0|1,0,0]=3 5449 B10R1.10 BrCCc1cccc(Br)n1 Amb33242100 [1,1,0,0,0,0|2,0,0]=4 5450 B10R1.10 BrCCc1cncc(Br)c1 Amb25147780 [1,1,0,0,0,0|2,0,0]=4 5451 B10R1.10 C#CCc1cccc(Br)c1 Amb27148208 [1,1,0,0,0,0|0,0,2]=4 5452 B10R1.10 C#CCc1cccc(C)c1 Amb33429151 [1,1,0,0,0,0|0,0,2]=4 5453 B10R1.10 C#CCc1cccc(Cl)c1 Amb26953104 [1,1,0,0,0,0|0,0,2]=4 5454 B10R1.10 C#CCc1cccc(F)c1 Amb27405697 [1,1,0,0,0,0|0,0,2]=4 5455 B10R1.10 C#CCc1cccc(I)c1 Amb26078060 [1,1,0,0,0,0|0,0,2]=4 5456 B10R1.10 C#CCc1cccc(O)c1 Amb33310924 [1,1,0,0,0,0|0,0,2]=4 5457 B10R1.10 C#NCc1cccc(Br)c1 Amb31112142 [1,1,0,0,0,0|1,0,1]=4 5458 B10R1.10 C#NCc1cccc(C)c1 Amb31132459 [1,1,0,0,0,0|1,0,1]=4 5459 B10R1.10 C#NCc1cccc(Cl)c1 Amb31111983 [1,1,0,0,0,0|1,0,1]=4 5460 B10R1.10 C#NCc1cccc(F)c1 Amb31132463 [1,1,0,0,0,0|1,0,1]=4 5461 B10R1.10 C=CCc1cccc(Br)c1 Amb6298947 [1,1,0,0,0,0|0,0,2]=4 5462 B10R1.10 C=CCc1cccc(C)c1 Amb2689628 [1,1,0,0,0,0|0,0,2]=4 5463 B10R1.10 C=CCc1cccc(Cl)c1 Amb2686405 [1,1,0,0,0,0|0,0,2]=4 5464 B10R1.10 C=CCc1cccc(F)c1 Amb2688385 [1,1,0,0,0,0|0,0,2]=4 5465 B10R1.10 C=CCc1cccc(N)c1 Amb25147344 [1,1,0,0,0,0|0,0,2]=4 5466 B10R1.10 C=CCc1cccc(N)c1 Amb32698606 [1,1,0,0,0,0|0,0,2]=4 5467 B10R1.10 C=CCc1cccc(O)c1 Amb22735821 [1,1,0,0,0,0|0,0,2]=4 5468 B10R1.10 CC#Cc1cccc(Br)c1 Amb22491725 [1,1,0,0,0,0|0,0,2]=4 5469 B10R1.10 CCCC1=CC(=O)NC=N1 Amb20259665 [1,1,0,0,0,0|2,0,0]=4 5470 B10R1.10 CCCC1=CC(=O)NN=C1 Amb27788321 [1,1,0,0,0,0|2,0,0]=4 5471 B10R1.10 CCCC1=NC=CC(=S)N1 Amb27978733 [1,1,0,0,0,0|2,0,0]=4 5472 B10R1.10 CCCc1cc(Br)ccn1 Amb10599773 [1,1,0,0,0,0|1,0,0]=3 5473 B10R1.10 CCCc1cc(Br)ncn1 Amb10600013 [1,1,0,0,0,0|2,0,0]=4 5474 B10R1.10 CCCc1cc(C)ccn1 Amb25844521 [1,1,0,0,0,0|1,0,0]=3 5475 B10R1.10 CCCc1cc(Cl)ncn1 Amb9174458 [1,1,0,0,0,0|2,0,0]=4 5476 B10R1.10 CCCc1cc(F)ccn1 Amb24318797 [1,1,0,0,0,0|1,0,0]=3 5477 B10R1.10 CCCc1cc(F)ncn1 Amb35653805 [1,1,0,0,0,0|2,0,0]=4 5478 B10R1.10 CCCc1cc(N)ccn1 Amb10599774 [1,1,0,0,0,0|1,0,0]=3 5479 B10R1.10 CCCc1cc(N)ncn1 Amb10600014 [1,1,0,0,0,0|2,0,0]=4 5480 B10R1.10 CCCc1cc(O)ccn1 Amb10599775 [1,1,0,0,0,0|1,0,0]=3 5481 B10R1.10 CCCc1cc(O)ncn1 Amb9174445 [1,1,0,0,0,0|2,0,0]=4 5482 B10R1.10 CCCc1cc(S)ncn1 Amb18787529 [1,1,0,0,0,0|2,0,0]=4 5483 B10R1.10 CCCc1cccc(Br)c1 Amb25736130 [1,1,0,0,0,0|0,0,0]=2 5484 B10R1.10 CCCc1cccc(Br)n1 Amb10600122 [1,1,0,0,0,0|1,0,0]=3 5485 B10R1.10 CCCc1cccc(C)c1 Amb22232362 [1,1,0,0,0,0|0,0,0]=2 5486 B10R1.10 CCCc1cccc(Cl)c1 Amb8393606 [1,1,0,0,0,0|0,0,0]=2 5487 B10R1.10 CCCc1cccc(Cl)n1 Amb27425089 [1,1,0,0,0,0|1,0,0]=3 5488 B10R1.10 CCCc1cccc(F)n1 Amb24319133 [1,1,0,0,0,0|1,0,0]=3 5489 B10R1.10 CCCc1cccc(N)c1 Amb18643014 [1,1,0,0,0,0|0,0,0]=2 5490 B10R1.10 CCCc1cccc(N)c1 Amb33172785 [1,1,0,0,0,0|0,0,0]=2 5491 B10R1.10 CCCc1cccc(N)n1 Amb2694190 [1,1,0,0,0,0|1,0,0]=3 5492 B10R1.10 CCCc1cccc(O)c1 Amb3941016 [1,1,0,0,0,0|0,0,0]=2 5493 B10R1.10 CCCc1cccc(O)n1 Amb10600153 [1,1,0,0,0,0|1,0,0]=3 5494 B10R1.10 CCCc1ccnc(Br)c1 Amb10599856 [1,1,0,0,0,0|1,0,0]=3 5495 B10R1.10 CCCc1ccnc(Br)n1 Amb13884146 [1,1,0,0,0,0|2,0,0]=4 5496 B10R1.10 CCCc1ccnc(Cl)c1 Amb28125661 [1,1,0,0,0,0|1,0,0]=3 5497 B10R1.10 CCCc1ccnc(Cl)n1 Amb10068234 [1,1,0,0,0,0|2,0,0]=4 5498 B10R1.10 CCCc1ccnc(F)c1 Amb27812043 [1,1,0,0,0,0|1,0,0]=3 5499 B10R1.10 CCCc1ccnc(N)c1 Amb2694181 [1,1,0,0,0,0|1,0,0]=3 5500 B10R1.10 CCCc1ccnc(N)n1 Amb13884387 [1,1,0,0,0,0|2,0,0]=4 5501 B10R1.10 CCCc1ccnc(O)c1 Amb10599858 [1,1,0,0,0,0|1,0,0]=3 5502 B10R1.10 CCCc1ccnc(O)n1 Amb13884388 [1,1,0,0,0,0|2,0,0]=4 5503 B10R1.10 CCCc1cncc(Br)c1 Amb20617637 [1,1,0,0,0,0|1,0,0]=3 5504 B10R1.10 CCCc1cncc(Br)n1 Amb10600317 [1,1,0,0,0,0|2,0,0]=4 5505 B10R1.10 CCCc1cncc(C)c1 Amb27839178 [1,1,0,0,0,0|1,0,0]=3 5506 B10R1.10 CCCc1cncc(C)n1 Amb27441427 [1,1,0,0,0,0|2,0,0]=4 5507 B10R1.10 CCCc1cncc(Cl)n1 Amb27839072 [1,1,0,0,0,0|2,0,0]=4 5508 B10R1.10 CCCc1cncc(N)c1 Amb18832432 [1,1,0,0,0,0|1,0,0]=3 5509 B10R1.10 CCCc1cncc(N)n1 Amb10600319 [1,1,0,0,0,0|2,0,0]=4 5510 B10R1.10 CCCc1cncc(O)c1 Amb20617709 [1,1,0,0,0,0|1,0,0]=3 5511 B10R1.10 CCCc1cncc(O)n1 Amb10600320 [1,1,0,0,0,0|2,0,0]=4 5512 B10R1.10 CCCc1cncc(S)c1 Amb33276296 [1,1,0,0,0,0|1,0,0]=3 5513 B10R1.10 CCCc1nccc(Br)n1 Amb10599367 [1,1,0,0,0,0|2,0,0]=4 5514 B10R1.10 CCCc1nccc(Cl)n1 Amb9535871 [1,1,0,0,0,0|2,0,0]=4 5515 B10R1.10 CCCc1nccc(F)n1 Amb35642808 [1,1,0,0,0,0|2,0,0]=4 5516 B10R1.10 CCCc1nccc(N)n1 Amb10599369 [1,1,0,0,0,0|2,0,0]=4 5517 B10R1.10 CCCc1nccc(O)n1 Amb10599370 [1,1,0,0,0,0|2,0,0]=4 5518 B10R1.10 CCNc1cc(C)ccn1 Amb18283607 [1,1,0,0,0,0|2,0,0]=4 5519 B10R1.10 CCNc1cc(Cl)ccn1 Amb15692076 [1,1,0,0,0,0|2,0,0]=4 5520 B10R1.10 CCNc1cc(N)ccn1 Amb17334158 [1,1,0,0,0,0|2,0,0]=4 5521 B10R1.10 CCNc1ccc[n+]([O-])c1 Amb27770407 [1,1,0,0,0,0|2,0,0]=4 5522 B10R1.10 CCNc1cccc(Br)c1 Amb6696674 [1,1,0,0,0,0|1,0,0]=3 5523 B10R1.10 CCNc1cccc(Br)c1 Amb7969585 [1,1,0,0,0,0|1,0,0]=3 5524 B10R1.10 CCNc1cccc(Br)n1 Amb22271124 [1,1,0,0,0,0|2,0,0]=4 5525 B10R1.10 CCNc1cccc(Br)n1 Amb22411595 [1,1,0,0,0,0|2,0,0]=4 5526 B10R1.10 CCNc1cccc(C)c1 Amb4440919 [1,1,0,0,0,0|1,0,0]=3 5527 B10R1.10 CCNc1cccc(C)c1 Amb6540783 [1,1,0,0,0,0|1,0,0]=3 5528 B10R1.10 CCNc1cccc(C)n1 Amb10553057 [1,1,0,0,0,0|2,0,0]=4 5529 B10R1.10 CCNc1cccc(Cl)c1 Amb6695730 [1,1,0,0,0,0|1,0,0]=3 5530 B10R1.10 CCNc1cccc(F)c1 Amb10609458 [1,1,0,0,0,0|1,0,0]=3 5531 B10R1.10 CCNc1cccc(F)c1 Amb6695887 [1,1,0,0,0,0|1,0,0]=3 5532 B10R1.10 CCNc1cccc(F)n1 Amb18951804 [1,1,0,0,0,0|2,0,0]=4 5533 B10R1.10 CCNc1cccc(I)c1 Amb9203673 [1,1,0,0,0,0|1,0,0]=3 5534 B10R1.10 CCNc1cccc(N)c1 Amb8825439 [1,1,0,0,0,0|1,0,0]=3 5535 B10R1.10 CCNc1cccc(O)c1 Amb22168804 [1,1,0,0,0,0|1,0,0]=3 5536 B10R1.10 CCNc1cccc(O)c1 Amb6734927 [1,1,0,0,0,0|1,0,0]=3 5537 B10R1.10 CCNc1ccnc(Cl)c1 Amb13952186 [1,1,0,0,0,0|2,0,0]=4 5538 B10R1.10 CCNc1ccnc(N)c1 Amb27619768 [1,1,0,0,0,0|2,0,0]=4 5539 B10R1.10 CCNc1cncc(Cl)c1 Amb29849410 [1,1,0,0,0,0|2,0,0]=4 5540 B10R1.10 CCNc1cncc(O)c1 Amb27629206 [1,1,0,0,0,0|2,0,0]=4 5541 B10R1.10 CCOc1cc(Br)ccn1 Amb10576613 [1,1,0,0,0,0|2,0,0]=4 5542 B10R1.10 CCOc1cc(C)ccn1 Amb2795401 [1,1,0,0,0,0|2,0,0]=4 5543 B10R1.10 CCOc1cc(Cl)ccn1 Amb19957988 [1,1,0,0,0,0|2,0,0]=4 5544 B10R1.10 CCOc1cc(F)ccn1 Amb24317829 [1,1,0,0,0,0|2,0,0]=4 5545 B10R1.10 CCOc1cc(I)ccn1 Amb22498330 [1,1,0,0,0,0|2,0,0]=4 5546 B10R1.10 CCOc1cc(N)ccn1 Amb2610086 [1,1,0,0,0,0|2,0,0]=4 5547 B10R1.10 CCOc1ccc[n+]([O-])c1 Amb25206359 [1,1,0,0,0,0|2,0,0]=4 5548 B10R1.10 CCOc1cccc(Br)c1 Amb3938998 [1,1,0,0,0,0|1,0,0]=3 5549 B10R1.10 CCOc1cccc(Br)n1 Amb8438959 [1,1,0,0,0,0|2,0,0]=4 5550 B10R1.10 CCOc1cccc(C)n1 Amb2795402 [1,1,0,0,0,0|2,0,0]=4 5551 B10R1.10 CCOc1cccc(Cl)n1 Amb3939997 [1,1,0,0,0,0|2,0,0]=4 5552 B10R1.10 CCOc1cccc(F)c1 Amb2684175 [1,1,0,0,0,0|1,0,0]=3 5553 B10R1.10 CCOc1cccc(F)n1 Amb33537560 [1,1,0,0,0,0|2,0,0]=4 5554 B10R1.10 CCOc1cccc(I)c1 Amb19196001 [1,1,0,0,0,0|1,0,0]=3 5555 B10R1.10 CCOc1cccc(N)c1 Amb1124598 [1,1,0,0,0,0|1,0,0]=3 5556 B10R1.10 CCOc1cccc(N)n1 Amb2609847 [1,1,0,0,0,0|2,0,0]=4 5557 B10R1.10 CCOc1cccc(N)n1 Amb32668102 [1,1,0,0,0,0|2,0,0]=4 5558 B10R1.10 CCOc1cccc(O)c1 Amb2720441 [1,1,0,0,0,0|1,0,0]=3 5559 B10R1.10 CCOc1cccc(O)n1 Amb28049436 [1,1,0,0,0,0|2,0,0]=4 5560 B10R1.10 CCOc1cccc(S)c1 Amb10070967 [1,1,0,0,0,0|1,0,0]=3 5561 B10R1.10 CCOc1ccnc(Br)c1 Amb8438933 [1,1,0,0,0,0|2,0,0]=4 5562 B10R1.10 CCOc1ccnc(C)c1 Amb24687076 [1,1,0,0,0,0|2,0,0]=4 5563 B10R1.10 CCOc1ccnc(Cl)c1 Amb8438934 [1,1,0,0,0,0|2,0,0]=4 5564 B10R1.10 CCOc1ccnc(F)c1 Amb15691032 [1,1,0,0,0,0|2,0,0]=4 5565 B10R1.10 CCOc1ccnc(I)c1 Amb27230249 [1,1,0,0,0,0|2,0,0]=4 5566 B10R1.10 CCOc1ccnc(N)c1 Amb2610118 [1,1,0,0,0,0|2,0,0]=4 5567 B10R1.10 CCOc1ccnc(O)c1 Amb8438990 [1,1,0,0,0,0|2,0,0]=4 5568 B10R1.10 CCOc1cncc(Br)c1 Amb15691049 [1,1,0,0,0,0|2,0,0]=4 5569 B10R1.10 CCOc1cncc(C)c1 Amb24350527 [1,1,0,0,0,0|2,0,0]=4 5570 B10R1.10 CCOc1cncc(I)c1 Amb26504467 [1,1,0,0,0,0|2,0,0]=4 5571 B10R1.10 CCOc1cncc(N)c1 Amb8438993 [1,1,0,0,0,0|2,0,0]=4 5572 B10R1.10 CCOc1cncc(O)c1 Amb23455720 [1,1,0,0,0,0|2,0,0]=4 5573 B10R1.10 CCSc1cc(C)ccn1 Amb24480868 [1,1,0,0,0,0|2,0,0]=4 5574 B10R1.10 CCSc1cccc(Br)c1 Amb10067418 [1,1,0,0,0,0|1,0,0]=3 5575 B10R1.10 CCSc1cccc(C)c1 Amb25328608 [1,1,0,0,0,0|1,0,0]=3 5576 B10R1.10 CCSc1cccc(Cl)c1 Amb26318573 [1,1,0,0,0,0|1,0,0]=3 5577 B10R1.10 CCSc1cccc(F)c1 Amb25063729 [1,1,0,0,0,0|1,0,0]=3 5578 B10R1.10 CCSc1cccc(N)c1 Amb18950176 [1,1,0,0,0,0|1,0,0]=3 5579 B10R1.10 CCSc1cccc(N)n1 Amb27873535 [1,1,0,0,0,0|2,0,0]=4 5580 B10R1.10 CCSc1cccc(O)c1 Amb18644674 [1,1,0,0,0,0|1,0,0]=3 5581 B10R1.10 CCSc1cccc(O)n1 Amb18644748 [1,1,0,0,0,0|2,0,0]=4 5582 B10R1.10 CCSc1ccnc(C)c1 Amb28252456 [1,1,0,0,0,0|2,0,0]=4 5583 B10R1.10 CCSc1ccnc(Cl)c1 Amb19149189 [1,1,0,0,0,0|2,0,0]=4 5584 B10R1.10 CNCC1=CC=CC(=O)N1 Amb26044182 [1,1,0,0,0,0|2,0,0]=4 5585 B10R1.10 CNCC1=CC=CC(=O)N1 Amb29083318 [1,1,0,0,0,0|2,0,0]=4 5586 B10R1.10 CNCC1=CC=CC(=O)N1 Amb32932464 [1,1,0,0,0,0|2,0,0]=4 5587 B10R1.10 CNCc1cc(C)ccn1 Amb16230499 [1,1,0,0,0,0|2,0,0]=4 5588 B10R1.10 CNCc1cc(Cl)ccn1 Amb22728627 [1,1,0,0,0,0|2,0,0]=4 5589 B10R1.10 CNCc1cc(Cl)ccn1 Amb33330654 [1,1,0,0,0,0|2,0,0]=4 5590 B10R1.10 CNCc1cc(F)ccn1 Amb25749043 [1,1,0,0,0,0|2,0,0]=4 5591 B10R1.10 CNCc1cc(N)ccn1 Amb25062940 [1,1,0,0,0,0|2,0,0]=4 5592 B10R1.10 CNCc1cccc(Br)c1 Amb1114712 [1,1,0,0,0,0|1,0,0]=3 5593 B10R1.10 CNCc1cccc(Br)c1 Amb17935918 [1,1,0,0,0,0|1,0,0]=3 5594 B10R1.10 CNCc1cccc(Br)n1 Amb2725033 [1,1,0,0,0,0|2,0,0]=4 5595 B10R1.10 CNCc1cccc(C)c1 Amb33536586 [1,1,0,0,0,0|1,0,0]=3 5596 B10R1.10 CNCc1cccc(C)n1 Amb19374864 [1,1,0,0,0,0|2,0,0]=4 5597 B10R1.10 CNCc1cccc(C)n1 Amb2592510 [1,1,0,0,0,0|2,0,0]=4 5598 B10R1.10 CNCc1cccc(Cl)c1 Amb1648830 [1,1,0,0,0,0|1,0,0]=3 5599 B10R1.10 CNCc1cccc(Cl)n1 Amb24340482 [1,1,0,0,0,0|2,0,0]=4 5600 B10R1.10 CNCc1cccc(F)c1 Amb1647905 [1,1,0,0,0,0|1,0,0]=3 5601 B10R1.10 CNCc1cccc(F)c1 Amb30625686 [1,1,0,0,0,0|1,0,0]=3 5602 B10R1.10 CNCc1cccc(F)n1 Amb26478731 [1,1,0,0,0,0|2,0,0]=4 5603 B10R1.10 CNCc1cccc(I)c1 Amb23569027 [1,1,0,0,0,0|1,0,0]=3 5604 B10R1.10 CNCc1cccc(N)c1 Amb7173577 [1,1,0,0,0,0|1,0,0]=3 5605 B10R1.10 CNCc1cccc(N)n1 Amb26418834 [1,1,0,0,0,0|2,0,0]=4 5606 B10R1.10 CNCc1cccc(O)c1 Amb1131158 [1,1,0,0,0,0|1,0,0]=3 5607 B10R1.10 CNCc1cccc(O)c1 Amb19115406 [1,1,0,0,0,0|1,0,0]=3 5608 B10R1.10 CNCc1cccc(S)c1 Amb27598823 [1,1,0,0,0,0|1,0,0]=3 5609 B10R1.10 CNCc1ccnc(C)c1 Amb10607835 [1,1,0,0,0,0|2,0,0]=4 5610 B10R1.10 CNCc1ccnc(Cl)c1 Amb6572114 [1,1,0,0,0,0|2,0,0]=4 5611 B10R1.10 CNCc1cncc(Br)c1 Amb6572388 [1,1,0,0,0,0|2,0,0]=4 5612 B10R1.10 CNCc1cncc(C)c1 Amb24353440 [1,1,0,0,0,0|2,0,0]=4 5613 B10R1.10 CNCc1cncc(F)c1 Amb25146397 [1,1,0,0,0,0|2,0,0]=4 5614 B10R1.10 CNCc1cncc(N)c1 Amb26642008 [1,1,0,0,0,0|2,0,0]=4 5615 B10R1.10 CNNc1cccc(Cl)c1 Amb27445146 [1,1,0,0,0,0|2,0,0]=4 5616 B10R1.10 COCc1cc(Br)ccn1 Amb24320753 [1,1,0,0,0,0|2,0,0]=4 5617 B10R1.10 COCc1cc(I)ccn1 Amb27613007 [1,1,0,0,0,0|2,0,0]=4 5618 B10R1.10 COCc1cc(N)ccn1 Amb26429665 [1,1,0,0,0,0|2,0,0]=4 5619 B10R1.10 COCc1cccc(Br)c1 Amb18320155 [1,1,0,0,0,0|1,0,0]=3 5620 B10R1.10 COCc1cccc(Br)n1 Amb24320754 [1,1,0,0,0,0|2,0,0]=4 5621 B10R1.10 COCc1cccc(C)n1 Amb22345867 [1,1,0,0,0,0|2,0,0]=4 5622 B10R1.10 COCc1cccc(I)c1 Amb24478076 [1,1,0,0,0,0|1,0,0]=3 5623 B10R1.10 COCc1cccc(N)c1 Amb29847725 [1,1,0,0,0,0|1,0,0]=3 5624 B10R1.10 COCc1cccc(N)c1 Amb6250686 [1,1,0,0,0,0|1,0,0]=3 5625 B10R1.10 COCc1cccc(N)n1 Amb24375965 [1,1,0,0,0,0|2,0,0]=4 5626 B10R1.10 COCc1cccc(O)c1 Amb19301751 [1,1,0,0,0,0|1,0,0]=3 5627 B10R1.10 COCc1cccc(S)c1 Amb33226901 [1,1,0,0,0,0|1,0,0]=3 5628 B10R1.10 COCc1ccnc(Cl)c1 Amb18799911 [1,1,0,0,0,0|2,0,0]=4 5629 B10R1.10 COCc1ccnc(N)c1 Amb18961777 [1,1,0,0,0,0|2,0,0]=4 5630 B10R1.10 COCc1cncc(Br)c1 Amb22235600 [1,1,0,0,0,0|2,0,0]=4 5631 B10R1.10 COCc1cncc(Cl)c1 Amb27780983 [1,1,0,0,0,0|2,0,0]=4 5632 B10R1.10 CSCc1cccc(Br)c1 Amb22058705 [1,1,0,0,0,0|1,0,0]=3 5633 B10R1.10 CSCc1cccc(Cl)c1 Amb27469155 [1,1,0,0,0,0|1,0,0]=3 5634 B10R1.10 CSCc1cccc(F)c1 Amb25978150 [1,1,0,0,0,0|1,0,0]=3 5635 B10R1.10 CSCc1cccc(I)c1 Amb32685575 [1,1,0,0,0,0|1,0,0]=3 5636 B10R1.10 CSCc1cccc(N)c1 Amb18951026 [1,1,0,0,0,0|1,0,0]=3 5637 B10R1.10 CSCc1cccc(N)n1 Amb27397188 [1,1,0,0,0,0|2,0,0]=4 5638 B10R1.10 CSCc1cccc(O)c1 Amb23443323 [1,1,0,0,0,0|1,0,0]=3 5639 B10R1.10 CSCc1ccnc(Cl)c1 Amb18185802 [1,1,0,0,0,0|2,0,0]=4 5640 B10R1.10 CSCc1ccnc(N)c1 Amb18284923 [1,1,0,0,0,0|2,0,0]=4 5641 B10R1.10 C\C=C\c1cccc(N)c1 Amb27162745 [1,1,0,0,0,0|0,0,2]=4 5642 B10R1.10 C\N=C\c1cccc(C)c1 Amb24524529 [1,1,0,0,0,0|1,0,1]=4 5643 B10R1.10 C\N=C\c1cccc(O)c1 Amb19115409 [1,1,0,0,0,0|1,0,1]=4 5644 B10R1.10 Cc1cc(CCBr)ccn1 Amb33004944 [1,1,0,0,0,0|2,0,0]=4 5645 B10R1.10 Cc1cc(CCN)ccn1 Amb18203094 [1,1,0,0,0,0|2,0,0]=4 5646 B10R1.10 Cc1cc(CCN)ccn1 Amb33309646 [1,1,0,0,0,0|2,0,0]=4 5647 B10R1.10 Cc1cc(CCO)ccn1 Amb24568116 [1,1,0,0,0,0|1,0,0]=3 5648 B10R1.10 Cc1cc(CCS)ccn1 Amb32732786 [1,1,0,0,0,0|1,1,0]=4 5649 B10R1.10 Cc1cc(CNO)ccn1 Amb33449918 [1,1,0,0,0,0|2,0,0]=4 5650 B10R1.10 Cc1ccc[n+](CCO)c1 Amb27588939 [1,1,0,0,0,0|1,0,0]=3 5651 B10R1.10 Cc1cccc(CC#N)c1 Amb3939783 [1,1,0,0,0,0|1,0,1]=4 5652 B10R1.10 Cc1cccc(CC=O)c1 Amb16230453 [1,1,0,0,0,0|0,0,2]=4 5653 B10R1.10 Cc1cccc(CCBr)c1 Amb2685164 [1,1,0,0,0,0|1,0,0]=3 5654 B10R1.10 Cc1cccc(CCBr)n1 Amb2695438 [1,1,0,0,0,0|2,0,0]=4 5655 B10R1.10 Cc1cccc(CCBr)n1 Amb8630116 [1,1,0,0,0,0|2,0,0]=4 5656 B10R1.10 Cc1cccc(CCCl)c1 Amb18181942 [1,1,0,0,0,0|1,0,0]=3 5657 B10R1.10 Cc1cccc(CCI)c1 Amb26332327 [1,1,0,0,0,0|1,0,0]=3 5658 B10R1.10 Cc1cccc(CCN)c1 Amb1126573 [1,1,0,0,0,0|1,0,0]=3 5659 B10R1.10 Cc1cccc(CCN)c1 Amb13952645 [1,1,0,0,0,0|1,0,0]=3 5660 B10R1.10 Cc1cccc(CCN)n1 Amb1995202 [1,1,0,0,0,0|2,0,0]=4 5661 B10R1.10 Cc1cccc(CCN)n1 Amb33378982 [1,1,0,0,0,0|2,0,0]=4 5662 B10R1.10 Cc1cccc(CCN)n1 Amb33378983 [1,1,0,0,0,0|2,0,0]=4 5663 B10R1.10 Cc1cccc(CCO)c1 Amb3939096 [1,1,0,0,0,0|0,0,0]=2 5664 B10R1.10 Cc1cccc(CCO)n1 Amb8630091 [1,1,0,0,0,0|1,0,0]=3 5665 B10R1.10 Cc1cccc(CCS)c1 Amb17399939 [1,1,0,0,0,0|0,1,0]=3 5666 B10R1.10 Cc1cccc(CCS)n1 Amb24388552 [1,1,0,0,0,0|1,1,0]=4 5667 B10R1.10 Cc1cccc(CNN)c1 Amb1116333 [1,1,0,0,0,0|2,0,0]=4 5668 B10R1.10 Cc1cccc(CNN)c1 Amb19890111 [1,1,0,0,0,0|2,0,0]=4 5669 B10R1.10 Cc1cccc(CNN)c1 Amb33527910 [1,1,0,0,0,0|2,0,0]=4 5670 B10R1.10 Cc1cccc(CNO)c1 Amb25784359 [1,1,0,0,0,0|1,0,0]=3 5671 B10R1.10 Cc1cccc(CNO)n1 Amb33200760 [1,1,0,0,0,0|2,0,0]=4 5672 B10R1.10 Cc1cccc(CON)c1 Amb17091425 [1,1,0,0,0,0|2,0,0]=4 5673 B10R1.10 Cc1cccc(C[Zn]Cl)c1 Amb22000456 [1,1,0,0,0,0|2,0,0]=4 5674 B10R1.10 Cc1cccc(OCCl)c1 Amb27618304 [1,1,0,0,0,0|2,0,0]=4 5675 B10R1.10 Cc1cccc(SCCl)c1 Amb24423887 [1,1,0,0,0,0|2,0,0]=4 5676 B10R1.10 Cc1cccc(\C=N\O)c1 Amb18041948 [1,1,0,0,0,0|1,0,1]=4 5677 B10R1.10 Cc1ccnc(CCBr)c1 Amb26973853 [1,1,0,0,0,0|2,0,0]=4 5678 B10R1.10 Cc1ccnc(CCN)c1 Amb1995201 [1,1,0,0,0,0|2,0,0]=4 5679 B10R1.10 Cc1ccnc(CCO)c1 Amb25679639 [1,1,0,0,0,0|1,0,0]=3 5680 B10R1.10 Cc1ccnc(CCO)n1 Amb25943732 [1,1,0,0,0,0|2,0,0]=4 5681 B10R1.10 Cc1ccnc(CCS)c1 Amb33317782 [1,1,0,0,0,0|1,1,0]=4 5682 B10R1.10 Cc1ccnc(CNO)c1 Amb33316100 [1,1,0,0,0,0|2,0,0]=4 5683 B10R1.10 Cc1cncc(CCBr)c1 Amb24562207 [1,1,0,0,0,0|2,0,0]=4 5684 B10R1.10 Cc1cncc(CCN)c1 Amb18203095 [1,1,0,0,0,0|2,0,0]=4 5685 B10R1.10 Cc1cncc(CCO)c1 Amb2695472 [1,1,0,0,0,0|1,0,0]=3 5686 B10R1.10 Cc1cncc(CCO)n1 Amb26424098 [1,1,0,0,0,0|2,0,0]=4 5687 B10R1.10 Cc1cncc(CCS)c1 Amb33316890 [1,1,0,0,0,0|1,1,0]=4 5688 B10R1.10 Cc1cncc(CNO)c1 Amb33318691 [1,1,0,0,0,0|2,0,0]=4 5689 B10R1.10 ClCCc1cccc(Br)c1 Amb24502263 [1,1,0,0,0,0|1,0,0]=3 5690 B10R1.10 ClCCc1cccc(Cl)c1 Amb18185798 [1,1,0,0,0,0|1,0,0]=3 5691 B10R1.10 ClCCc1cccc(I)c1 Amb27771694 [1,1,0,0,0,0|1,0,0]=3 5692 B10R1.10 ClCOc1cccc(Br)c1 Amb26977241 [1,1,0,0,0,0|2,0,0]=4 5693 B10R1.10 ClCOc1cccc(Cl)c1 Amb24482267 [1,1,0,0,0,0|2,0,0]=4 5694 B10R1.10 ClCOc1cccc(I)c1 Amb25272062 [1,1,0,0,0,0|2,0,0]=4 5695 B10R1.10 ClCSc1cccc(Br)c1 Amb24479383 [1,1,0,0,0,0|2,0,0]=4 5696 B10R1.10 ClCSc1cccc(I)c1 Amb28041639 [1,1,0,0,0,0|2,0,0]=4 5697 B10R1.10 Cl[Zn]Cc1cccc(Cl)c1 Amb22000428 [1,1,0,0,0,0|2,0,0]=4 5698 B10R1.10 Clc1cc(CCBr)ccn1 Amb33452116 [1,1,0,0,0,0|2,0,0]=4 5699 B10R1.10 Clc1cccc(CCBr)c1 Amb2685156 [1,1,0,0,0,0|1,0,0]=3 5700 B10R1.10 Clc1cccc(CCBr)n1 Amb33006804 [1,1,0,0,0,0|2,0,0]=4 5701 B10R1.10 Clc1cccc(CCI)c1 Amb27804535 [1,1,0,0,0,0|1,0,0]=3 5702 B10R1.10 Clc1ccnc(CCBr)c1 Amb33432278 [1,1,0,0,0,0|2,0,0]=4 5703 B10R1.10 Fc1cccc(CCBr)c1 Amb2688284 [1,1,0,0,0,0|1,0,0]=3 5704 B10R1.10 Fc1cccc(CCCl)c1 Amb9004325 [1,1,0,0,0,0|1,0,0]=3 5705 B10R1.10 Fc1cccc(CCI)c1 Amb25766475 [1,1,0,0,0,0|1,0,0]=3 5706 B10R1.10 Fc1cccc(CCS)c1 Amb17400006 [1,1,0,0,0,0|0,1,0]=3 5707 B10R1.10 Fc1cccc(C[Mg]Cl)c1 Amb17672020 [1,1,0,0,0,0|2,0,0]=4 5708 B10R1.10 Fc1cccc(C[Zn]Cl)c1 Amb17938200 [1,1,0,0,0,0|2,0,0]=4 5709 B10R1.10 Fc1cccc(OCCl)c1 Amb24401502 [1,1,0,0,0,0|2,0,0]=4 5710 B10R1.10 Fc1cccc(SCCl)c1 Amb26651935 [1,1,0,0,0,0|2,0,0]=4 5711 B10R1.10 Fc1ccnc(CCBr)c1 Amb33433794 [1,1,0,0,0,0|2,0,0]=4 5712 B10R1.10 Fc1ccnc(CCS)c1 Amb33325109 [1,1,0,0,0,0|1,1,0]=4 5713 B10R1.10 Fc1cncc(CCBr)c1 Amb25210409 [1,1,0,0,0,0|2,0,0]=4 5714 B10R1.10 Fc1cncc(CCCl)c1 Amb18797759 [1,1,0,0,0,0|2,0,0]=4 5715 B10R1.10 Fc1cncc(CCCl)c1 Amb33038080 [1,1,0,0,0,0|2,0,0]=4 5716 B10R1.10 Fc1cncc(CCS)c1 Amb33480664 [1,1,0,0,0,0|1,1,0]=4 5717 B10R1.10 N#CCc1cccc(Br)c1 Amb1138679 [1,1,0,0,0,0|1,0,1]=4 5718 B10R1.10 N#CCc1cccc(Cl)c1 Amb1651451 [1,1,0,0,0,0|1,0,1]=4 5719 B10R1.10 N#CCc1cccc(F)c1 Amb528107 [1,1,0,0,0,0|1,0,1]=4 5720 B10R1.10 N#CCc1cccc(I)c1 Amb2688871 [1,1,0,0,0,0|1,0,1]=4 5721 B10R1.10 N#CCc1cccc(N)c1 Amb1215231 [1,1,0,0,0,0|1,0,1]=4 5722 B10R1.10 N#CCc1cccc(N)c1 Amb21857787 [1,1,0,0,0,0|1,0,1]=4 5723 B10R1.10 N#CCc1cccc(O)c1 Amb6298167 [1,1,0,0,0,0|1,0,1]=4 5724 B10R1.10 N#CCc1cccc(S)c1 Amb27265918 [1,1,0,0,0,0|1,0,1]=4 5725 B10R1.10 NCCC1=CC(=O)NC=C1 Amb22277083 [1,1,0,0,0,0|2,0,0]=4 5726 B10R1.10 NCCC1=CC=CC(=O)N1 Amb22492307 [1,1,0,0,0,0|2,0,0]=4 5727 B10R1.10 NCCC1=CC=CC(=O)N1 Amb22587551 [1,1,0,0,0,0|2,0,0]=4 5728 B10R1.10 NCCc1cc(Br)ccn1 Amb25839315 [1,1,0,0,0,0|2,0,0]=4 5729 B10R1.10 NCCc1cc(Cl)ccn1 Amb26508063 [1,1,0,0,0,0|2,0,0]=4 5730 B10R1.10 NCCc1cc(F)ccn1 Amb27207092 [1,1,0,0,0,0|2,0,0]=4 5731 B10R1.10 NCCc1cccc(Br)c1 Amb22900947 [1,1,0,0,0,0|1,0,0]=3 5732 B10R1.10 NCCc1cccc(Br)c1 Amb6365736 [1,1,0,0,0,0|1,0,0]=3 5733 B10R1.10 NCCc1cccc(Br)n1 Amb21856983 [1,1,0,0,0,0|2,0,0]=4 5734 B10R1.10 NCCc1cccc(Cl)c1 Amb1212556 [1,1,0,0,0,0|1,0,0]=3 5735 B10R1.10 NCCc1cccc(Cl)n1 Amb21857735 [1,1,0,0,0,0|2,0,0]=4 5736 B10R1.10 NCCc1cccc(F)c1 Amb838765 [1,1,0,0,0,0|1,0,0]=3 5737 B10R1.10 NCCc1cccc(F)n1 Amb20669134 [1,1,0,0,0,0|2,0,0]=4 5738 B10R1.10 NCCc1cccc(I)c1 Amb25096322 [1,1,0,0,0,0|1,0,0]=3 5739 B10R1.10 NCCc1cccc(N)c1 Amb8631279 [1,1,0,0,0,0|1,0,0]=3 5740 B10R1.10 NCCc1cccc(N)c1 Amb8631364 [1,1,0,0,0,0|1,0,0]=3 5741 B10R1.10 NCCc1cccc(N)n1 Amb1100181 [1,1,0,0,0,0|2,0,0]=4 5742 B10R1.10 NCCc1cccc(O)c1 Amb2688778 [1,1,0,0,0,0|1,0,0]=3 5743 B10R1.10 NCCc1cccc(O)c1 Amb6243326 [1,1,0,0,0,0|1,0,0]=3 5744 B10R1.10 NCCc1cccc(O)c1 Amb6297567 [1,1,0,0,0,0|1,0,0]=3 5745 B10R1.10 NCCc1cccc(S)c1 Amb27862515 [1,1,0,0,0,0|1,0,0]=3 5746 B10R1.10 NCCc1cccn(=O)c1 Amb20621202 [1,1,0,0,0,0|2,0,0]=4 5747 B10R1.10 NCCc1ccnc(Br)c1 Amb26974330 [1,1,0,0,0,0|2,0,0]=4 5748 B10R1.10 NCCc1ccnc(Cl)c1 Amb26080294 [1,1,0,0,0,0|2,0,0]=4 5749 B10R1.10 NCCc1ccnc(F)c1 Amb25992462 [1,1,0,0,0,0|2,0,0]=4 5750 B10R1.10 NCCc1ccnc(N)c1 Amb28555504 [1,1,0,0,0,0|2,0,0]=4 5751 B10R1.10 NCCc1ccnc(N)c1 Amb33532630 [1,1,0,0,0,0|2,0,0]=4 5752 B10R1.10 NCCc1ccnc(O)c1 Amb32670801 [1,1,0,0,0,0|2,0,0]=4 5753 B10R1.10 NCCc1cncc(Br)c1 Amb27657044 [1,1,0,0,0,0|2,0,0]=4 5754 B10R1.10 NCCc1cncc(Cl)c1 Amb25889904 [1,1,0,0,0,0|2,0,0]=4 5755 B10R1.10 NCCc1cncc(F)c1 Amb18286591 [1,1,0,0,0,0|2,0,0]=4 5756 B10R1.10 NCCc1cncc(O)c1 Amb25744014 [1,1,0,0,0,0|2,0,0]=4 5757 B10R1.10 NNCc1cccc(Br)c1 Amb1119246 [1,1,0,0,0,0|2,0,0]=4 5758 B10R1.10 NNCc1cccc(Br)c1 Amb19893263 [1,1,0,0,0,0|2,0,0]=4 5759 B10R1.10 NNCc1cccc(Br)c1 Amb33537274 [1,1,0,0,0,0|2,0,0]=4 5760 B10R1.10 NNCc1cccc(Cl)c1 Amb1111798 [1,1,0,0,0,0|2,0,0]=4 5761 B10R1.10 NNCc1cccc(Cl)c1 Amb13949121 [1,1,0,0,0,0|2,0,0]=4 5762 B10R1.10 NNCc1cccc(Cl)c1 Amb33714445 [1,1,0,0,0,0|2,0,0]=4 5763 B10R1.10 NNCc1cccc(F)c1 Amb1121411 [1,1,0,0,0,0|2,0,0]=4 5764 B10R1.10 NNCc1cccc(F)c1 Amb19893257 [1,1,0,0,0,0|2,0,0]=4 5765 B10R1.10 NNCc1cccc(F)c1 Amb20669586 [1,1,0,0,0,0|2,0,0]=4 5766 B10R1.10 NNCc1cccc(N)c1 Amb27810603 [1,1,0,0,0,0|2,0,0]=4 5767 B10R1.10 NNCc1cccc(O)c1 Amb3940160 [1,1,0,0,0,0|2,0,0]=4 5768 B10R1.10 NNCc1cccc(O)c1 Amb6336419 [1,1,0,0,0,0|2,0,0]=4 5769 B10R1.10 NOCc1cccc(Br)c1 Amb17091429 [1,1,0,0,0,0|2,0,0]=4 5770 B10R1.10 NOCc1cccc(Cl)c1 Amb17091428 [1,1,0,0,0,0|2,0,0]=4 5771 B10R1.10 NOCc1cccc(Cl)c1 Amb19889790 [1,1,0,0,0,0|2,0,0]=4 5772 B10R1.10 NOCc1cccc(F)c1 Amb17091426 [1,1,0,0,0,0|2,0,0]=4 5773 B10R1.10 NOCc1cccc(F)c1 Amb19883930 [1,1,0,0,0,0|2,0,0]=4 5774 B10R1.10 NOCc1cccc(I)c1 Amb27626521 [1,1,0,0,0,0|2,0,0]=4 5775 B10R1.10 NOCc1cccc(O)c1 Amb27476207 [1,1,0,0,0,0|2,0,0]=4 5776 B10R1.10 Nc1cc(CCCl)ccn1 Amb27256820 [1,1,0,0,0,0|2,0,0]=4 5777 B10R1.10 Nc1cc(CCO)ccn1 Amb33545323 [1,1,0,0,0,0|1,0,0]=3 5778 B10R1.10 Nc1cccc(CCF)c1 Amb26318675 [1,1,0,0,0,0|1,0,0]=3 5779 B10R1.10 Nc1cccc(CCO)c1 Amb21857105 [1,1,0,0,0,0|0,0,0]=2 5780 B10R1.10 Nc1cccc(CCO)n1 Amb24401500 [1,1,0,0,0,0|1,0,0]=3 5781 B10R1.10 Nc1ccnc(CCO)c1 Amb25027828 [1,1,0,0,0,0|1,0,0]=3 5782 B10R1.10 Nc1ccnc(CCO)n1 Amb24583224 [1,1,0,0,0,0|2,0,0]=4 5783 B10R1.10 O=C1C=CC=C(CCO)N1 Amb28049556 [1,1,0,0,0,0|1,0,0]=3 5784 B10R1.10 O=C1N=C(CCO)C=CN1 Amb24639313 [1,1,0,0,0,0|2,0,0]=4 5785 B10R1.10 O=CCc1cccc(Br)c1 Amb16230449 [1,1,0,0,0,0|0,0,2]=4 5786 B10R1.10 O=CCc1cccc(Cl)c1 Amb10844835 [1,1,0,0,0,0|0,0,2]=4 5787 B10R1.10 O=CCc1cccc(F)c1 Amb19929928 [1,1,0,0,0,0|0,0,2]=4 5788 B10R1.10 O=CCc1cccc(O)c1 Amb17089543 [1,1,0,0,0,0|0,0,2]=4 5789 B10R1.10 OCCc1cc(Br)ccn1 Amb24065849 [1,1,0,0,0,0|1,0,0]=3 5790 B10R1.10 OCCc1cc(Cl)ccn1 Amb26631453 [1,1,0,0,0,0|1,0,0]=3 5791 B10R1.10 OCCc1cc(F)ccn1 Amb25032462 [1,1,0,0,0,0|1,0,0]=3 5792 B10R1.10 OCCc1cccc(Br)c1 Amb3939211 [1,1,0,0,0,0|0,0,0]=2 5793 B10R1.10 OCCc1cccc(Br)n1 Amb13883481 [1,1,0,0,0,0|1,0,0]=3 5794 B10R1.10 OCCc1cccc(Cl)c1 Amb3939105 [1,1,0,0,0,0|0,0,0]=2 5795 B10R1.10 OCCc1cccc(Cl)n1 Amb27478282 [1,1,0,0,0,0|1,0,0]=3 5796 B10R1.10 OCCc1cccc(F)c1 Amb3939215 [1,1,0,0,0,0|0,0,0]=2 5797 B10R1.10 OCCc1cccc(F)n1 Amb25076783 [1,1,0,0,0,0|1,0,0]=3 5798 B10R1.10 OCCc1cccc(I)c1 Amb24524319 [1,1,0,0,0,0|0,0,0]=2 5799 B10R1.10 OCCc1cccc(O)c1 Amb3940102 [1,1,0,0,0,0|0,0,0]=2 5800 B10R1.10 OCCc1cccc(S)c1 Amb27961582 [1,1,0,0,0,0|0,0,0]=2 5801 B10R1.10 OCCc1ccnc(Cl)c1 Amb22754705 [1,1,0,0,0,0|1,0,0]=3 5802 B10R1.10 OCCc1ccnc(F)c1 Amb27963558 [1,1,0,0,0,0|1,0,0]=3 5803 B10R1.10 OCCc1cncc(Br)c1 Amb25114229 [1,1,0,0,0,0|1,0,0]=3 5804 B10R1.10 OCCc1cncc(F)c1 Amb25872080 [1,1,0,0,0,0|1,0,0]=3 5805 B10R1.10 OCCc1nccc(O)n1 Amb24454001 [1,1,0,0,0,0|2,0,0]=4 5806 B10R1.10 OCNc1cccc(F)c1 Amb27168168 [1,1,0,0,0,0|1,0,0]=3 5807 B10R1.10 ONCc1cc(F)ccn1 Amb33415816 [1,1,0,0,0,0|2,0,0]=4 5808 B10R1.10 ONCc1cccc(Br)c1 Amb23449439 [1,1,0,0,0,0|1,0,0]=3 5809 B10R1.10 ONCc1cccc(Br)n1 Amb24647347 [1,1,0,0,0,0|2,0,0]=4 5810 B10R1.10 ONCc1cccc(Cl)c1 Amb25210787 [1,1,0,0,0,0|1,0,0]=3 5811 B10R1.10 ONCc1cccc(Cl)n1 Amb33223269 [1,1,0,0,0,0|2,0,0]=4 5812 B10R1.10 ONCc1cccc(F)c1 Amb26060054 [1,1,0,0,0,0|1,0,0]=3 5813 B10R1.10 ONCc1cccc(I)c1 Amb28077250 [1,1,0,0,0,0|1,0,0]=3 5814 B10R1.10 ONCc1cccc(O)c1 Amb24524626 [1,1,0,0,0,0|1,0,0]=3 5815 B10R1.10 ONCc1cncc(Br)c1 Amb26848329 [1,1,0,0,0,0|2,0,0]=4 5816 B10R1.10 ONCc1cncc(F)c1 Amb33312713 [1,1,0,0,0,0|2,0,0]=4 5817 B10R1.10 O\N=C/c1cccc(Cl)c1 Amb28135506 [1,1,0,0,0,0|1,0,1]=4 5818 B10R1.10 O\N=C\c1cccc(Br)c1 Amb6297363 [1,1,0,0,0,0|1,0,1]=4 5819 B10R1.10 O\N=C\c1cccc(Cl)c1 Amb1776533 [1,1,0,0,0,0|1,0,1]=4 5820 B10R1.10 O\N=C\c1cccc(F)c1 Amb1152958 [1,1,0,0,0,0|1,0,1]=4 5821 B10R1.10 O\N=C\c1cccc(I)c1 Amb1831123 [1,1,0,0,0,0|1,0,1]=4 5822 B10R1.10 O\N=C\c1cccc(O)c1 Amb5837376 [1,1,0,0,0,0|1,0,1]=4 5823 B10R1.10 Oc1cccc(CCBr)c1 Amb18130690 [1,1,0,0,0,0|1,0,0]=3 5824 B10R1.10 Oc1cccc(CCF)c1 Amb27411445 [1,1,0,0,0,0|1,0,0]=3 5825 B10R1.10 Oc1cccc(CCI)c1 Amb27494566 [1,1,0,0,0,0|1,0,0]=3 5826 B10R1.10 Oc1cccc(CCS)c1 Amb33310795 [1,1,0,0,0,0|0,1,0]=3 5827 B10R1.10 Oc1cccc(SCCl)c1 Amb24368844 [1,1,0,0,0,0|2,0,0]=4 5828 B10R1.10 SCCc1cccc(Br)c1 Amb17404678 [1,1,0,0,0,0|0,1,0]=3 5829 B10R1.10 SCCc1cccc(Br)n1 Amb33433833 [1,1,0,0,0,0|1,1,0]=4 5830 B10R1.10 SCCc1cccc(Cl)c1 Amb17400375 [1,1,0,0,0,0|0,1,0]=3 5831 B10R1.10 SCCc1cccc(Cl)n1 Amb33222711 [1,1,0,0,0,0|1,1,0]=4 5832 B10R1.10 SCCc1cncc(Br)c1 Amb33389406 [1,1,0,0,0,0|1,1,0]=4 5833 B10R1.10 Sc1cccc(CCBr)c1 Amb27628134 [1,1,0,0,0,0|1,0,0]=3 5834 B10R1.10 [C-]#[N+]Cc1cccc(Br)c1 Amb3973086 [1,1,0,0,0,0|1,0,1]=4 5835 B10R1.10 [C-]#[N+]Cc1cccc(C)c1 Amb2689350 [1,1,0,0,0,0|1,0,1]=4 5836 B10R1.10 [C-]#[N+]Cc1cccc(Cl)c1 Amb2685777 [1,1,0,0,0,0|1,0,1]=4 5837 B10R1.10 [C-]#[N+]Cc1cccc(F)c1 Amb2688051 [1,1,0,0,0,0|1,0,1]=4 5838 B10R1.10 [NH3+]OCc1cccc(F)c1 Amb2424153 [1,1,0,0,0,0|2,0,0]=4 5839 B10R1.15 BP(CO)c1ccccc1 Amb27652937 [1,1,0,0,0,0|1,0,0]=3 5840 B10R1.15 B[PH](CO)c1ccccc1 Amb27826578 [1,1,0,0,0,0|1,0,0]=3 5841 B10R1.15 BrCC(Br)c1ccccc1 Amb8394124 [1,1,0,0,0,0|1,0,0]=3 5842 B10R1.15 C#CC(Br)c1ccccc1 Amb28121035 [1,1,0,0,0,0|0,0,2]=4 5843 B10R1.15 C#CC(C)c1ccccc1 Amb24106607 [1,1,0,0,0,0|0,0,2]=4 5844 B10R1.15 C#CC(N)c1ccccc1 Amb23504019 [1,1,0,0,0,0|0,0,2]=4 5845 B10R1.15 C#CC(N)c1ccccc1 Amb33204420 [1,1,0,0,0,0|0,0,2]=4 5846 B10R1.15 C#CC(O)c1ccccc1 Amb2721623 [1,1,0,0,0,0|0,0,2]=4 5847 B10R1.15 C#C[C@@H](N)c1ccccc1 Amb27599946 [1,1,0,0,0,0|0,0,2]=4 5848 B10R1.15 C#C[C@@H](O)c1ccccc1 Amb10844978 [1,1,0,0,0,0|0,0,2]=4 5849 B10R1.15 C#C[C@H](O)c1ccccc1 Amb22360907 [1,1,0,0,0,0|0,0,2]=4 5850 B10R1.15 C=C(CBr)c1ccccc1 Amb8391739 [1,1,0,0,0,0|1,0,1]=4 5851 B10R1.15 C=C(CC)c1ccccn1 Amb24467663 [1,1,0,0,0,0|1,0,1]=4 5852 B10R1.15 C=C(CCl)c1ccccc1 Amb26968652 [1,1,0,0,0,0|1,0,1]=4 5853 B10R1.15 C=C(CN)c1ccccc1 Amb10609068 [1,1,0,0,0,0|1,0,1]=4 5854 B10R1.15 C=C(CN)c1ccccc1 Amb9421165 [1,1,0,0,0,0|1,0,1]=4 5855 B10R1.15 C=C(CO)c1ccccc1 Amb27839071 [1,1,0,0,0,0|0,0,1]=3 5856 B10R1.15 C=C(CO)c1ccncc1 Amb25887623 [1,1,0,0,0,0|1,0,1]=4 5857 B10R1.15 C=C(NC)c1ccccc1 Amb27975699 [1,1,0,0,0,0|1,0,1]=4 5858 B10R1.15 C=CC(C)c1ccccc1 Amb26460576 [1,1,0,0,0,0|0,0,2]=4 5859 B10R1.15 C=CC(Cl)c1ccccc1 Amb17943120 [1,1,0,0,0,0|0,0,2]=4 5860 B10R1.15 C=CC(Cl)c1ccccc1 Amb33963194 [1,1,0,0,0,0|0,0,2]=4 5861 B10R1.15 C=CC(N)c1ccccc1 Amb18642931 [1,1,0,0,0,0|0,0,2]=4 5862 B10R1.15 C=CC(N)c1ccccc1 Amb22584092 [1,1,0,0,0,0|0,0,2]=4 5863 B10R1.15 C=CC(O)c1ccccc1 Amb21520382 [1,1,0,0,0,0|0,0,2]=4 5864 B10R1.15 C=C[C@@H](N)c1ccccc1 Amb27391592 [1,1,0,0,0,0|0,0,2]=4 5865 B10R1.15 C=C[C@@H](O)c1ccccc1 Amb22348498 [1,1,0,0,0,0|0,0,2]=4 5866 B10R1.15 CC(C#N)c1ccccc1 Amb2387010 [1,1,0,0,0,0|1,0,1]=4 5867 B10R1.15 CC(C=O)c1ccccc1 Amb2720746 [1,1,0,0,0,0|0,0,2]=4 5868 B10R1.15 CC(CBr)c1ccccc1 Amb3940569 [1,1,0,0,0,0|1,0,0]=3 5869 B10R1.15 CC(CBr)c1ccccn1 Amb27471389 [1,1,0,0,0,0|2,0,0]=4 5870 B10R1.15 CC(CBr)c1cccnc1 Amb33118517 [1,1,0,0,0,0|2,0,0]=4 5871 B10R1.15 CC(CBr)c1ccncc1 Amb26369737 [1,1,0,0,0,0|2,0,0]=4 5872 B10R1.15 CC(CCl)c1ccccc1 Amb17232147 [1,1,0,0,0,0|1,0,0]=3 5873 B10R1.15 CC(CCl)c1cccnc1 Amb24085112 [1,1,0,0,0,0|2,0,0]=4 5874 B10R1.15 CC(CCl)c1ccncc1 Amb27835971 [1,1,0,0,0,0|2,0,0]=4 5875 B10R1.15 CC(CI)c1ccccc1 Amb26629255 [1,1,0,0,0,0|1,0,0]=3 5876 B10R1.15 CC(CI)c1ccccn1 Amb30010228 [1,1,0,0,0,0|2,0,0]=4 5877 B10R1.15 CC(CN)c1ccccc1 Amb19958781 [1,1,0,0,0,0|1,0,0]=3 5878 B10R1.15 CC(CN)c1ccccc1 Amb5717369 [1,1,0,0,0,0|1,0,0]=3 5879 B10R1.15 CC(CN)c1ccccn1 Amb33528304 [1,1,0,0,0,0|2,0,0]=4 5880 B10R1.15 CC(CN)c1cccnc1 Amb8950129 [1,1,0,0,0,0|2,0,0]=4 5881 B10R1.15 CC(CN)c1ccncc1 Amb32668866 [1,1,0,0,0,0|2,0,0]=4 5882 B10R1.15 CC(CN)c1ccncc1 Amb8950130 [1,1,0,0,0,0|2,0,0]=4 5883 B10R1.15 CC(CO)c1ccccc1 Amb2720837 [1,1,0,0,0,0|0,0,0]=2 5884 B10R1.15 CC(CO)c1ccccn1 Amb22896757 [1,1,0,0,0,0|1,0,0]=3 5885 B10R1.15 CC(CO)c1cccnc1 Amb33745581 [1,1,0,0,0,0|1,0,0]=3 5886 B10R1.15 CC(CO)c1ccncc1 Amb24480432 [1,1,0,0,0,0|1,0,0]=3 5887 B10R1.15 CC(CO)c1cnccn1 Amb33746148 [1,1,0,0,0,0|2,0,0]=4 5888 B10R1.15 CC(CS)c1ccccc1 Amb28349926 [1,1,0,0,0,0|0,1,0]=3 5889 B10R1.15 CC(CS)c1ccccn1 Amb29858764 [1,1,0,0,0,0|1,1,0]=4 5890 B10R1.15 CC(NCl)c1ccccc1 Amb28049660 [1,1,0,0,0,0|2,0,0]=4 5891 B10R1.15 CC(NN)c1ccccc1 Amb10610271 [1,1,0,0,0,0|2,0,0]=4 5892 B10R1.15 CC(NN)c1ccccc1 Amb6251215 [1,1,0,0,0,0|2,0,0]=4 5893 B10R1.15 CC(NO)c1ccccc1 Amb10605006 [1,1,0,0,0,0|1,0,0]=3 5894 B10R1.15 CC(NO)c1ccccn1 Amb10605008 [1,1,0,0,0,0|2,0,0]=4 5895 B10R1.15 CC(NO)c1cccnc1 Amb10605009 [1,1,0,0,0,0|2,0,0]=4 5896 B10R1.15 CC(ON)c1ccccc1 Amb17089185 [1,1,0,0,0,0|2,0,0]=4 5897 B10R1.15 CC(ON)c1ccccc1 Amb22491086 [1,1,0,0,0,0|2,0,0]=4 5898 B10R1.15 CCC(=N)c1ccccn1 Amb28182447 [1,1,0,0,0,0|1,0,1]=4 5899 B10R1.15 CCC(=O)c1ccccc1 Amb4037285 [1,1,0,0,0,0|0,0,1]=3 5900 B10R1.15 CCC(=O)c1ccccn1 Amb6301470 [1,1,0,0,0,0|1,0,1]=4 5901 B10R1.15 CCC(=O)c1cccnc1 Amb8386799 [1,1,0,0,0,0|1,0,1]=4 5902 B10R1.15 CCC(=O)c1ccncc1 Amb10576400 [1,1,0,0,0,0|1,0,1]=4 5903 B10R1.15 CCC(Br)c1ccccc1 Amb9210652 [1,1,0,0,0,0|0,0,0]=2 5904 B10R1.15 CCC(Br)c1ccccn1 Amb27647660 [1,1,0,0,0,0|1,0,0]=3 5905 B10R1.15 CCC(Br)c1cccnc1 Amb24556035 [1,1,0,0,0,0|1,0,0]=3 5906 B10R1.15 CCC(Br)c1ccncc1 Amb27463363 [1,1,0,0,0,0|1,0,0]=3 5907 B10R1.15 CCC(Br)c1cnccn1 Amb27481128 [1,1,0,0,0,0|2,0,0]=4 5908 B10R1.15 CCC(Br)c1ncccn1 Amb24480847 [1,1,0,0,0,0|2,0,0]=4 5909 B10R1.15 CCC(C)c1ccccc1 Amb9702788 [1,1,0,0,0,0|0,0,0]=2 5910 B10R1.15 CCC(C)c1ccccn1 Amb28145932 [1,1,0,0,0,0|1,0,0]=3 5911 B10R1.15 CCC(C)c1ccncc1 Amb26842817 [1,1,0,0,0,0|1,0,0]=3 5912 B10R1.15 CCC(Cl)c1ccccc1 Amb7766794 [1,1,0,0,0,0|0,0,0]=2 5913 B10R1.15 CCC(N)c1ccccc1 Amb19959910 [1,1,0,0,0,0|0,0,0]=2 5914 B10R1.15 CCC(N)c1ccccc1 Amb9703596 [1,1,0,0,0,0|0,0,0]=2 5915 B10R1.15 CCC(N)c1ccccn1 Amb10607917 [1,1,0,0,0,0|1,0,0]=3 5916 B10R1.15 CCC(N)c1ccccn1 Amb22587075 [1,1,0,0,0,0|1,0,0]=3 5917 B10R1.15 CCC(N)c1cccnc1 Amb10607957 [1,1,0,0,0,0|1,0,0]=3 5918 B10R1.15 CCC(N)c1cccnc1 Amb30588534 [1,1,0,0,0,0|1,0,0]=3 5919 B10R1.15 CCC(N)c1ccncc1 Amb8009606 [1,1,0,0,0,0|1,0,0]=3 5920 B10R1.15 CCC(N)c1ccnnc1 Amb27205048 [1,1,0,0,0,0|2,0,0]=4 5921 B10R1.15 CCC(N)c1cnccn1 Amb18281061 [1,1,0,0,0,0|2,0,0]=4 5922 B10R1.15 CCC(N)c1cnccn1 Amb23440161 [1,1,0,0,0,0|2,0,0]=4 5923 B10R1.15 CCC(N)c1ncccn1 Amb33535047 [1,1,0,0,0,0|2,0,0]=4 5924 B10R1.15 CCC(O)c1ccccc1 Amb6705776 [1,1,0,0,0,0|0,0,0]=2 5925 B10R1.15 CCC(O)c1ccccn1 Amb26851902 [1,1,0,0,0,0|1,0,0]=3 5926 B10R1.15 CCC(O)c1cccnc1 Amb17231904 [1,1,0,0,0,0|1,0,0]=3 5927 B10R1.15 CCC(O)c1ccncc1 Amb16233288 [1,1,0,0,0,0|1,0,0]=3 5928 B10R1.15 CCC(O)c1cncnc1 Amb26619472 [1,1,0,0,0,0|2,0,0]=4 5929 B10R1.15 CCC(O)c1ncccn1 Amb28049305 [1,1,0,0,0,0|2,0,0]=4 5930 B10R1.15 CCC(S)c1ccccc1 Amb9208017 [1,1,0,0,0,0|0,0,0]=2 5931 B10R1.15 CCN(C)c1ccccn1 Amb26564265 [1,1,0,0,0,0|2,0,0]=4 5932 B10R1.15 CCN(N)c1ccccc1 Amb836839 [1,1,0,0,0,0|1,0,0]=3 5933 B10R1.15 CCN(N)c1ccccn1 Amb18643189 [1,1,0,0,0,0|2,0,0]=4 5934 B10R1.15 CCP(Cl)c1ccccc1 Amb27765906 [1,1,0,0,0,0|1,0,0]=3 5935 B10R1.15 CCS(=O)c1ccccc1 Amb22500370 [1,1,0,0,0,0|1,0,0]=3 5936 B10R1.15 CCS(=O)c1ccccn1 Amb28049400 [1,1,0,0,0,0|2,0,0]=4 5937 B10R1.15 CC[C@@H](Br)c1ccccc1 Amb27761826 [1,1,0,0,0,0|0,0,0]=2 5938 B10R1.15 CC[C@@H](N)c1ccccc1 Amb22265426 [1,1,0,0,0,0|0,0,0]=2 5939 B10R1.15 CC[C@@H](N)c1ccccc1 Amb8383789 [1,1,0,0,0,0|0,0,0]=2 5940 B10R1.15 CC[C@@H](N)c1ccccn1 Amb25797820 [1,1,0,0,0,0|1,0,0]=3 5941 B10R1.15 CC[C@@H](N)c1ccccn1 Amb30869540 [1,1,0,0,0,0|1,0,0]=3 5942 B10R1.15 CC[C@@H](N)c1ccncc1 Amb30647447 [1,1,0,0,0,0|1,0,0]=3 5943 B10R1.15 CC[C@@H](N)c1ncccn1 Amb28189771 [1,1,0,0,0,0|2,0,0]=4 5944 B10R1.15 CC[C@@H](O)c1ccccc1 Amb8517168 [1,1,0,0,0,0|0,0,0]=2 5945 B10R1.15 CC[C@@H](O)c1ccccn1 Amb25717055 [1,1,0,0,0,0|1,0,0]=3 5946 B10R1.15 CC[C@@H](O)c1cccnc1 Amb27161307 [1,1,0,0,0,0|1,0,0]=3 5947 B10R1.15 CC[C@@H](O)c1cncnc1 Amb27431312 [1,1,0,0,0,0|2,0,0]=4 5948 B10R1.15 CC[C@H](Br)c1ccccc1 Amb27659277 [1,1,0,0,0,0|0,0,0]=2 5949 B10R1.15 CC[C@H](C)c1ccccc1 Amb28326096 [1,1,0,0,0,0|0,0,0]=2 5950 B10R1.15 CC[C@H](C)c1ccccn1 Amb27407415 [1,1,0,0,0,0|1,0,0]=3 5951 B10R1.15 CC[C@H](N)c1ccccc1 Amb22265559 [1,1,0,0,0,0|0,0,0]=2 5952 B10R1.15 CC[C@H](N)c1ccccc1 Amb8628779 [1,1,0,0,0,0|0,0,0]=2 5953 B10R1.15 CC[C@H](N)c1ccccn1 Amb26961005 [1,1,0,0,0,0|1,0,0]=3 5954 B10R1.15 CC[C@H](N)c1ccccn1 Amb33802008 [1,1,0,0,0,0|1,0,0]=3 5955 B10R1.15 CC[C@H](N)c1ccccn1 Amb33872493 [1,1,0,0,0,0|1,0,0]=3 5956 B10R1.15 CC[C@H](N)c1cccnc1 Amb30647446 [1,1,0,0,0,0|1,0,0]=3 5957 B10R1.15 CC[C@H](N)c1ccncc1 Amb27404537 [1,1,0,0,0,0|1,0,0]=3 5958 B10R1.15 CC[C@H](N)c1ccncc1 Amb30647448 [1,1,0,0,0,0|1,0,0]=3 5959 B10R1.15 CC[C@H](N)c1cncnc1 Amb27959585 [1,1,0,0,0,0|2,0,0]=4 5960 B10R1.15 CC[C@H](N)c1ncccn1 Amb27972716 [1,1,0,0,0,0|2,0,0]=4 5961 B10R1.15 CC[C@H](O)c1ccccc1 Amb8517167 [1,1,0,0,0,0|0,0,0]=2 5962 B10R1.15 CC[C@H](O)c1ccccn1 Amb25910593 [1,1,0,0,0,0|1,0,0]=3 5963 B10R1.15 CC[C@H](O)c1cccnc1 Amb24432697 [1,1,0,0,0,0|1,0,0]=3 5964 B10R1.15 CC[C@H](O)c1ccncc1 Amb27861997 [1,1,0,0,0,0|1,0,0]=3 5965 B10R1.15 CNC(=N)c1ccccc1 Amb23447117 [1,1,0,0,0,0|1,0,1]=4 5966 B10R1.15 CNC(=N)c1ccccc1 Amb28775800 [1,1,0,0,0,0|1,0,1]=4 5967 B10R1.15 CNC(=O)c1ccccc1 Amb2591685 [1,1,0,0,0,0|1,0,1]=4 5968 B10R1.15 CNC(=S)c1ccccc1 Amb10552988 [1,1,0,0,0,0|1,0,1]=4 5969 B10R1.15 CNC(C)c1ccccc1 Amb6382953 [1,1,0,0,0,0|1,0,0]=3 5970 B10R1.15 CNC(C)c1ccccc1 Amb9745717 [1,1,0,0,0,0|1,0,0]=3 5971 B10R1.15 CNC(C)c1ccccn1 Amb10189608 [1,1,0,0,0,0|2,0,0]=4 5972 B10R1.15 CNC(C)c1ccccn1 Amb22587689 [1,1,0,0,0,0|2,0,0]=4 5973 B10R1.15 CNC(C)c1ccccn1 Amb9705005 [1,1,0,0,0,0|2,0,0]=4 5974 B10R1.15 CNC(C)c1cccnc1 Amb10189690 [1,1,0,0,0,0|2,0,0]=4 5975 B10R1.15 CNC(C)c1cccnc1 Amb1121577 [1,1,0,0,0,0|2,0,0]=4 5976 B10R1.15 CNC(C)c1cccnc1 Amb22587688 [1,1,0,0,0,0|2,0,0]=4 5977 B10R1.15 CNC(C)c1ccncc1 Amb10189609 [1,1,0,0,0,0|2,0,0]=4 5978 B10R1.15 CNC(C)c1ccncc1 Amb22492289 [1,1,0,0,0,0|2,0,0]=4 5979 B10R1.15 CNC(C)c1ccncc1 Amb22587687 [1,1,0,0,0,0|2,0,0]=4 5980 B10R1.15 CNC(C)c1ccncc1 Amb9705906 [1,1,0,0,0,0|2,0,0]=4 5981 B10R1.15 CNN(C)c1ccccc1 Amb27398128 [1,1,0,0,0,0|2,0,0]=4 5982 B10R1.15 CN[C@@H](C)c1ccccc1 Amb17740009 [1,1,0,0,0,0|1,0,0]=3 5983 B10R1.15 CN[C@@H](C)c1ccccn1 Amb24744532 [1,1,0,0,0,0|2,0,0]=4 5984 B10R1.15 CN[C@@H](C)c1ccccn1 Amb33457847 [1,1,0,0,0,0|2,0,0]=4 5985 B10R1.15 CN[C@@H](C)c1cccnc1 Amb27162166 [1,1,0,0,0,0|2,0,0]=4 5986 B10R1.15 CN[C@@H](C)c1cccnc1 Amb33457822 [1,1,0,0,0,0|2,0,0]=4 5987 B10R1.15 CN[C@@H](C)c1ccncc1 Amb28193264 [1,1,0,0,0,0|2,0,0]=4 5988 B10R1.15 CN[C@@H](C)c1ccncc1 Amb33457902 [1,1,0,0,0,0|2,0,0]=4 5989 B10R1.15 CN[C@H](C)c1ccccc1 Amb10844610 [1,1,0,0,0,0|1,0,0]=3 5990 B10R1.15 CN[C@H](C)c1ccccn1 Amb27391593 [1,1,0,0,0,0|2,0,0]=4 5991 B10R1.15 CN[C@H](C)c1cccnc1 Amb25084519 [1,1,0,0,0,0|2,0,0]=4 5992 B10R1.15 CN[C@H](C)c1cccnc1 Amb33328981 [1,1,0,0,0,0|2,0,0]=4 5993 B10R1.15 COC(=N)c1ccccc1 Amb4009954 [1,1,0,0,0,0|1,0,1]=4 5994 B10R1.15 COC(=N)c1ccccc1 Amb6366188 [1,1,0,0,0,0|1,0,1]=4 5995 B10R1.15 COC(=O)c1ccccc1 Amb4302710 [1,1,0,0,0,0|1,0,1]=4 5996 B10R1.15 COC(=S)c1ccccc1 Amb10569749 [1,1,0,0,0,0|1,0,1]=4 5997 B10R1.15 COC(C)c1ccccc1 Amb23568513 [1,1,0,0,0,0|1,0,0]=3 5998 B10R1.15 COS(=O)c1ccccc1 Amb2689327 [1,1,0,0,0,0|2,0,0]=4 5999 B10R1.15 CP(CO)c1ccccc1 Amb27410449 [1,1,0,0,0,0|1,0,0]=3 6000 B10R1.15 CSC(=N)c1ccccc1 Amb22488568 [1,1,0,0,0,0|1,0,1]=4 6001 B10R1.15 CSC(=S)c1ccccc1 Amb24395059 [1,1,0,0,0,0|1,0,1]=4 6002 B10R1.15 C[C@@H](C=O)c1ccccc1 Amb24399258 [1,1,0,0,0,0|0,0,2]=4 6003 B10R1.15 C[C@@H](CN)c1ccccc1 Amb33623692 [1,1,0,0,0,0|1,0,0]=3 6004 B10R1.15 C[C@@H](CN)c1ccccc1 Amb4036825 [1,1,0,0,0,0|1,0,0]=3 6005 B10R1.15 C[C@@H](CN)c1cccnc1 Amb33744398 [1,1,0,0,0,0|2,0,0]=4 6006 B10R1.15 C[C@@H](CN)c1ccncc1 Amb33727423 [1,1,0,0,0,0|2,0,0]=4 6007 B10R1.15 C[C@@H](CO)c1ccccc1 Amb3939247 [1,1,0,0,0,0|0,0,0]=2 6008 B10R1.15 C[C@@H](CO)c1ccccn1 Amb28137345 [1,1,0,0,0,0|1,0,0]=3 6009 B10R1.15 C[C@@H](CO)c1cccnc1 Amb33746677 [1,1,0,0,0,0|1,0,0]=3 6010 B10R1.15 C[C@@H](CO)c1ccncc1 Amb33735556 [1,1,0,0,0,0|1,0,0]=3 6011 B10R1.15 C[C@@H](CO)c1cnccn1 Amb33748024 [1,1,0,0,0,0|2,0,0]=4 6012 B10R1.15 C[C@@H](NN)c1ccccc1 Amb25824988 [1,1,0,0,0,0|2,0,0]=4 6013 B10R1.15 C[C@@H](NO)c1ccccc1 Amb20670899 [1,1,0,0,0,0|1,0,0]=3 6014 B10R1.15 C[C@@H](NO)c1ccccc1 Amb22736690 [1,1,0,0,0,0|1,0,0]=3 6015 B10R1.15 C[C@@H](ON)c1ccccc1 Amb25850037 [1,1,0,0,0,0|2,0,0]=4 6016 B10R1.15 C[C@@H](ON)c1ccccc1 Amb32665789 [1,1,0,0,0,0|2,0,0]=4 6017 B10R1.15 C[C@H](C=O)c1ccccc1 Amb24476962 [1,1,0,0,0,0|0,0,2]=4 6018 B10R1.15 C[C@H](CN)c1ccccc1 Amb10070369 [1,1,0,0,0,0|1,0,0]=3 6019 B10R1.15 C[C@H](CN)c1cccnc1 Amb33740278 [1,1,0,0,0,0|2,0,0]=4 6020 B10R1.15 C[C@H](CN)c1ccncc1 Amb33747422 [1,1,0,0,0,0|2,0,0]=4 6021 B10R1.15 C[C@H](CO)c1ccccc1 Amb3939248 [1,1,0,0,0,0|0,0,0]=2 6022 B10R1.15 C[C@H](CO)c1cccnc1 Amb33738165 [1,1,0,0,0,0|1,0,0]=3 6023 B10R1.15 C[C@H](CO)c1ccncc1 Amb33730462 [1,1,0,0,0,0|1,0,0]=3 6024 B10R1.15 C[C@H](CO)c1cnccn1 Amb33744967 [1,1,0,0,0,0|2,0,0]=4 6025 B10R1.15 C[C@H](NN)c1ccccc1 Amb26589811 [1,1,0,0,0,0|2,0,0]=4 6026 B10R1.15 C[C@H](NO)c1cccnc1 Amb27242936 [1,1,0,0,0,0|2,0,0]=4 6027 B10R1.15 C[C@H](ON)c1ccccc1 Amb32665788 [1,1,0,0,0,0|2,0,0]=4 6028 B10R1.15 C[C@H](ON)c1ccccc1 Amb32666539 [1,1,0,0,0,0|2,0,0]=4 6029 B10R1.15 C\C(=N/O)c1ccccc1 Amb2387477 [1,1,0,0,0,0|1,0,1]=4 6030 B10R1.15 C\C(=N\O)c1ccccc1 Amb3428046 [1,1,0,0,0,0|1,0,1]=4 6031 B10R1.15 C\C=C(/C)c1ccccc1 Amb29628341 [1,1,0,0,0,0|0,0,2]=4 6032 B10R1.15 C\C=C(/F)c1ccccc1 Amb25881627 [1,1,0,0,0,0|0,0,2]=4 6033 B10R1.15 C\C=C(/N)c1ccccc1 Amb27787637 [1,1,0,0,0,0|0,0,2]=4 6034 B10R1.15 C\C=C(\C)c1ccccc1 Amb26360165 [1,1,0,0,0,0|0,0,2]=4 6035 B10R1.15 ClCC(Cl)c1ccccc1 Amb2720893 [1,1,0,0,0,0|1,0,0]=3 6036 B10R1.15 FC(CBr)c1ccccc1 Amb20075900 [1,1,0,0,0,0|1,0,0]=3 6037 B10R1.15 FC(CCl)c1ccccc1 Amb27596575 [1,1,0,0,0,0|1,0,0]=3 6038 B10R1.15 N#CC(Br)c1ccccc1 Amb9787616 [1,1,0,0,0,0|1,0,1]=4 6039 B10R1.15 N#CC(F)c1ccccc1 Amb22747439 [1,1,0,0,0,0|1,0,1]=4 6040 B10R1.15 N#CC(N)c1ccccc1 Amb3940545 [1,1,0,0,0,0|1,0,1]=4 6041 B10R1.15 N#CC(O)c1ccccc1 Amb3997186 [1,1,0,0,0,0|1,0,1]=4 6042 B10R1.15 N#CC([NH3+])c1ccccc1 Amb6365971 [1,1,0,0,0,0|1,0,1]=4 6043 B10R1.15 N#C[C@@H](Br)c1ccccc1 Amb24479015 [1,1,0,0,0,0|1,0,1]=4 6044 B10R1.15 N#C[C@@H](N)c1ccccc1 Amb17399826 [1,1,0,0,0,0|1,0,1]=4 6045 B10R1.15 N#C[C@H](Cl)c1ccccc1 Amb27184041 [1,1,0,0,0,0|1,0,1]=4 6046 B10R1.15 N#C[C@H](O)c1ccccc1 Amb21618705 [1,1,0,0,0,0|1,0,1]=4 6047 B10R1.15 NC(C=O)c1ccccc1 Amb27490826 [1,1,0,0,0,0|0,0,2]=4 6048 B10R1.15 NC(CCl)c1ccccc1 Amb27602197 [1,1,0,0,0,0|1,0,0]=3 6049 B10R1.15 NC(CF)c1ccccc1 Amb2372575 [1,1,0,0,0,0|1,0,0]=3 6050 B10R1.15 NC(CF)c1ccccc1 Amb33362248 [1,1,0,0,0,0|1,0,0]=3 6051 B10R1.15 NC(CF)c1cccnc1 Amb27251300 [1,1,0,0,0,0|2,0,0]=4 6052 B10R1.15 NC(CO)c1ccccc1 Amb8513829 [1,1,0,0,0,0|0,0,0]=2 6053 B10R1.15 NC(CO)c1ccccn1 Amb17935880 [1,1,0,0,0,0|1,0,0]=3 6054 B10R1.15 NC(CO)c1ccccn1 Amb18560041 [1,1,0,0,0,0|1,0,0]=3 6055 B10R1.15 NC(CO)c1cccnc1 Amb2683353 [1,1,0,0,0,0|1,0,0]=3 6056 B10R1.15 NC(CO)c1cccnc1 Amb32644753 [1,1,0,0,0,0|1,0,0]=3 6057 B10R1.15 NC(CO)c1cccnc1 Amb33548117 [1,1,0,0,0,0|1,0,0]=3 6058 B10R1.15 NC(CO)c1cccnn1 Amb27764341 [1,1,0,0,0,0|2,0,0]=4 6059 B10R1.15 NC(CO)c1ccncc1 Amb17935881 [1,1,0,0,0,0|1,0,0]=3 6060 B10R1.15 NC(CO)c1ccncc1 Amb18561776 [1,1,0,0,0,0|1,0,0]=3 6061 B10R1.15 NC(CO)c1ccncn1 Amb25761050 [1,1,0,0,0,0|2,0,0]=4 6062 B10R1.15 NC(CO)c1ccnnc1 Amb27952935 [1,1,0,0,0,0|2,0,0]=4 6063 B10R1.15 NC(CO)c1cnccn1 Amb18832035 [1,1,0,0,0,0|2,0,0]=4 6064 B10R1.15 NC(CO)c1cncnc1 Amb28043089 [1,1,0,0,0,0|2,0,0]=4 6065 B10R1.15 NC(CO)c1ncccn1 Amb27452374 [1,1,0,0,0,0|2,0,0]=4 6066 B10R1.15 NCC(=O)c1ccccc1 Amb1073498 [1,1,0,0,0,0|1,0,1]=4 6067 B10R1.15 NCC(=O)c1ccccc1 Amb33531112 [1,1,0,0,0,0|1,0,1]=4 6068 B10R1.15 NCC(Cl)c1ccccc1 Amb27984951 [1,1,0,0,0,0|1,0,0]=3 6069 B10R1.15 NCC(F)c1ccccc1 Amb23454844 [1,1,0,0,0,0|1,0,0]=3 6070 B10R1.15 NCC(F)c1ccccc1 Amb33249671 [1,1,0,0,0,0|1,0,0]=3 6071 B10R1.15 NCC(F)c1ccccn1 Amb24473175 [1,1,0,0,0,0|2,0,0]=4 6072 B10R1.15 NCC(F)c1cccnc1 Amb27405475 [1,1,0,0,0,0|2,0,0]=4 6073 B10R1.15 NCC(F)c1ccncc1 Amb27653637 [1,1,0,0,0,0|2,0,0]=4 6074 B10R1.15 NCC(N)c1ccccc1 Amb21857142 [1,1,0,0,0,0|1,0,0]=3 6075 B10R1.15 NCC(N)c1ccccc1 Amb33473621 [1,1,0,0,0,0|1,0,0]=3 6076 B10R1.15 NCC(N)c1ccccc1 Amb9380661 [1,1,0,0,0,0|1,0,0]=3 6077 B10R1.15 NCC(N)c1ccncc1 Amb18063802 [1,1,0,0,0,0|2,0,0]=4 6078 B10R1.15 NCC(O)c1ccccc1 Amb33542602 [1,1,0,0,0,0|1,0,0]=3 6079 B10R1.15 NCC(O)c1ccccc1 Amb33544420 [1,1,0,0,0,0|1,0,0]=3 6080 B10R1.15 NCC(O)c1ccccn1 Amb1109027 [1,1,0,0,0,0|2,0,0]=4 6081 B10R1.15 NCC(O)c1ccccn1 Amb20622942 [1,1,0,0,0,0|2,0,0]=4 6082 B10R1.15 NCC(O)c1ccccn1 Amb6892508 [1,1,0,0,0,0|2,0,0]=4 6083 B10R1.15 NCC(O)c1cccnc1 Amb10068830 [1,1,0,0,0,0|2,0,0]=4 6084 B10R1.15 NCC(O)c1cccnc1 Amb8503375 [1,1,0,0,0,0|2,0,0]=4 6085 B10R1.15 NCC(O)c1cccnc1 Amb9703829 [1,1,0,0,0,0|2,0,0]=4 6086 B10R1.15 NCC(O)c1ccncc1 Amb22755845 [1,1,0,0,0,0|2,0,0]=4 6087 B10R1.15 NCC(O)c1ccncc1 Amb9703695 [1,1,0,0,0,0|2,0,0]=4 6088 B10R1.15 NC[C@@H](F)c1ccccc1 Amb25279947 [1,1,0,0,0,0|1,0,0]=3 6089 B10R1.15 NC[C@@H](F)c1ccccc1 Amb32661014 [1,1,0,0,0,0|1,0,0]=3 6090 B10R1.15 NC[C@@H](N)c1cccnc1 Amb28046917 [1,1,0,0,0,0|2,0,0]=4 6091 B10R1.15 NC[C@@H](O)c1ccccc1 Amb24107154 [1,1,0,0,0,0|1,0,0]=3 6092 B10R1.15 NC[C@@H](O)c1ccccc1 Amb8630286 [1,1,0,0,0,0|1,0,0]=3 6093 B10R1.15 NC[C@@H](O)c1ccccn1 Amb25052826 [1,1,0,0,0,0|2,0,0]=4 6094 B10R1.15 NC[C@@H](O)c1cccnc1 Amb22744742 [1,1,0,0,0,0|2,0,0]=4 6095 B10R1.15 NC[C@@H](O)c1cccnc1 Amb22748405 [1,1,0,0,0,0|2,0,0]=4 6096 B10R1.15 NC[C@@H](O)c1ccncc1 Amb24479579 [1,1,0,0,0,0|2,0,0]=4 6097 B10R1.15 NC[C@H](N)c1ccncc1 Amb27617070 [1,1,0,0,0,0|2,0,0]=4 6098 B10R1.15 NC[C@H](O)c1ccccc1 Amb10070626 [1,1,0,0,0,0|1,0,0]=3 6099 B10R1.15 NC[C@H](O)c1ccccc1 Amb8631408 [1,1,0,0,0,0|1,0,0]=3 6100 B10R1.15 NC[C@H](O)c1ccccn1 Amb24569794 [1,1,0,0,0,0|2,0,0]=4 6101 B10R1.15 NC[C@H](O)c1cccnc1 Amb23385336 [1,1,0,0,0,0|2,0,0]=4 6102 B10R1.15 NC[C@H](O)c1cccnc1 Amb25127978 [1,1,0,0,0,0|2,0,0]=4 6103 B10R1.15 NC[C@H](O)c1ccncc1 Amb27227500 [1,1,0,0,0,0|2,0,0]=4 6104 B10R1.15 NC[PH](=O)c1ccccc1 Amb28119772 [1,1,0,0,0,0|2,0,0]=4 6105 B10R1.15 N[C@@H](CBr)c1ccccc1 Amb27876239 [1,1,0,0,0,0|1,0,0]=3 6106 B10R1.15 N[C@@H](CF)c1ccccc1 Amb22887019 [1,1,0,0,0,0|1,0,0]=3 6107 B10R1.15 N[C@@H](CF)c1ccccc1 Amb22887020 [1,1,0,0,0,0|1,0,0]=3 6108 B10R1.15 N[C@@H](CF)c1cccnc1 Amb27237037 [1,1,0,0,0,0|2,0,0]=4 6109 B10R1.15 N[C@@H](CO)c1ccccc1 Amb3939344 [1,1,0,0,0,0|0,0,0]=2 6110 B10R1.15 N[C@@H](CO)c1ccccn1 Amb28346863 [1,1,0,0,0,0|1,0,0]=3 6111 B10R1.15 N[C@@H](CO)c1ccccn1 Amb33483256 [1,1,0,0,0,0|1,0,0]=3 6112 B10R1.15 N[C@@H](CO)c1cccnc1 Amb25146409 [1,1,0,0,0,0|1,0,0]=3 6113 B10R1.15 N[C@@H](CO)c1ccncc1 Amb25146410 [1,1,0,0,0,0|1,0,0]=3 6114 B10R1.15 N[C@@H](CO)c1ccncn1 Amb27663518 [1,1,0,0,0,0|2,0,0]=4 6115 B10R1.15 N[C@@H](CO)c1cnccn1 Amb26458682 [1,1,0,0,0,0|2,0,0]=4 6116 B10R1.15 N[C@@H](CO)c1cncnc1 Amb24359874 [1,1,0,0,0,0|2,0,0]=4 6117 B10R1.15 N[C@@H](CO)c1ncccn1 Amb24686593 [1,1,0,0,0,0|2,0,0]=4 6118 B10R1.15 N[C@H](CCl)c1ccccc1 Amb27214165 [1,1,0,0,0,0|1,0,0]=3 6119 B10R1.15 N[C@H](CF)c1ccccc1 Amb27768745 [1,1,0,0,0,0|1,0,0]=3 6120 B10R1.15 N[C@H](CF)c1ccccc1 Amb33482690 [1,1,0,0,0,0|1,0,0]=3 6121 B10R1.15 N[C@H](CO)c1ccccc1 Amb2720557 [1,1,0,0,0,0|0,0,0]=2 6122 B10R1.15 N[C@H](CO)c1ccccn1 Amb27617071 [1,1,0,0,0,0|1,0,0]=3 6123 B10R1.15 N[C@H](CO)c1ccccn1 Amb33483257 [1,1,0,0,0,0|1,0,0]=3 6124 B10R1.15 N[C@H](CO)c1cccnc1 Amb24712243 [1,1,0,0,0,0|1,0,0]=3 6125 B10R1.15 N[C@H](CO)c1ccncc1 Amb24714739 [1,1,0,0,0,0|1,0,0]=3 6126 B10R1.15 N[C@H](CO)c1ccncn1 Amb24504962 [1,1,0,0,0,0|2,0,0]=4 6127 B10R1.15 N[C@H](CO)c1cnccn1 Amb27977000 [1,1,0,0,0,0|2,0,0]=4 6128 B10R1.15 N[C@H](CO)c1cncnc1 Amb24333346 [1,1,0,0,0,0|2,0,0]=4 6129 B10R1.15 N[C@H](CO)c1ncccn1 Amb24478499 [1,1,0,0,0,0|2,0,0]=4 6130 B10R1.15 N\C(=N/O)c1ccccc1 Amb1149046 [1,1,0,0,0,0|1,0,1]=4 6131 B10R1.15 N\C(=N/O)c1ccccc1 Amb6298734 [1,1,0,0,0,0|1,0,1]=4 6132 B10R1.15 N\C(=N\O)c1ccccc1 Amb2226909 [1,1,0,0,0,0|1,0,1]=4 6133 B10R1.15 O=C(CBr)c1ccccc1 Amb33533065 [1,1,0,0,0,0|1,0,1]=4 6134 B10R1.15 O=C(CCl)c1ccccc1 Amb3940253 [1,1,0,0,0,0|1,0,1]=4 6135 B10R1.15 O=C(CF)c1ccccc1 Amb10603600 [1,1,0,0,0,0|1,0,1]=4 6136 B10R1.15 O=C(CI)c1ccccc1 Amb23579972 [1,1,0,0,0,0|1,0,1]=4 6137 B10R1.15 O=C(CO)c1ccccc1 Amb3940718 [1,1,0,0,0,0|0,0,1]=3 6138 B10R1.15 O=C(CO)c1ccccn1 Amb18063640 [1,1,0,0,0,0|1,0,1]=4 6139 B10R1.15 O=C(CO)c1cccnc1 Amb18063681 [1,1,0,0,0,0|1,0,1]=4 6140 B10R1.15 O=C(CO)c1ccncc1 Amb18063686 [1,1,0,0,0,0|1,0,1]=4 6141 B10R1.15 O=C(CS)c1ccccc1 Amb16192503 [1,1,0,0,0,0|0,1,1]=4 6142 B10R1.15 O=C(NO)c1ccccc1 Amb1645521 [1,1,0,0,0,0|1,0,1]=4 6143 B10R1.15 O=CC(Cl)c1ccccc1 Amb18644699 [1,1,0,0,0,0|0,0,2]=4 6144 B10R1.15 O=CC(F)c1ccccc1 Amb24117053 [1,1,0,0,0,0|0,0,2]=4 6145 B10R1.15 O=CC(O)c1ccccc1 Amb17593446 [1,1,0,0,0,0|0,0,2]=4 6146 B10R1.15 O=C[C@H](F)c1ccccc1 Amb27863823 [1,1,0,0,0,0|0,0,2]=4 6147 B10R1.15 O=C[C@H](O)c1ccccc1 Amb28388660 [1,1,0,0,0,0|0,0,2]=4 6148 B10R1.15 O=S(CF)c1ccccc1 Amb22723398 [1,1,0,0,0,0|2,0,0]=4 6149 B10R1.15 O=S(CO)c1ccccc1 Amb27617047 [1,1,0,0,0,0|1,0,0]=3 6150 B10R1.15 OC(CBr)c1ccccc1 Amb17206105 [1,1,0,0,0,0|1,0,0]=3 6151 B10R1.15 OC(CBr)c1ccccn1 Amb27623201 [1,1,0,0,0,0|2,0,0]=4 6152 B10R1.15 OC(CBr)c1ccncc1 Amb24099591 [1,1,0,0,0,0|2,0,0]=4 6153 B10R1.15 OC(CCl)c1ccccc1 Amb9826903 [1,1,0,0,0,0|1,0,0]=3 6154 B10R1.15 OC(CCl)c1ccccn1 Amb26455692 [1,1,0,0,0,0|2,0,0]=4 6155 B10R1.15 OC(CCl)c1cccnc1 Amb3319284 [1,1,0,0,0,0|2,0,0]=4 6156 B10R1.15 OC(CCl)c1ccncc1 Amb27470348 [1,1,0,0,0,0|2,0,0]=4 6157 B10R1.15 OC(CF)c1ccccc1 Amb22731897 [1,1,0,0,0,0|1,0,0]=3 6158 B10R1.15 OC(CF)c1ccccn1 Amb25136249 [1,1,0,0,0,0|2,0,0]=4 6159 B10R1.15 OC(CF)c1cccnc1 Amb33360057 [1,1,0,0,0,0|2,0,0]=4 6160 B10R1.15 OC(CF)c1ccncc1 Amb33380647 [1,1,0,0,0,0|2,0,0]=4 6161 B10R1.15 OC(CI)c1ccccc1 Amb28073875 [1,1,0,0,0,0|1,0,0]=3 6162 B10R1.15 OC(CS)c1ccccc1 Amb10608997 [1,1,0,0,0,0|0,1,0]=3 6163 B10R1.15 OCC(Br)c1ccccc1 Amb27971765 [1,1,0,0,0,0|0,0,0]=2 6164 B10R1.15 OCC(Cl)c1ccccc1 Amb27165767 [1,1,0,0,0,0|0,0,0]=2 6165 B10R1.15 OCC(F)c1ccccc1 Amb24105399 [1,1,0,0,0,0|0,0,0]=2 6166 B10R1.15 OCC(F)c1ccncc1 Amb28384557 [1,1,0,0,0,0|1,0,0]=3 6167 B10R1.15 OCC(O)c1ccccc1 Amb4350706 [1,1,0,0,0,0|0,0,0]=2 6168 B10R1.15 OCC(O)c1ccccn1 Amb4017599 [1,1,0,0,0,0|1,0,0]=3 6169 B10R1.15 OCC(O)c1cccnc1 Amb23538717 [1,1,0,0,0,0|1,0,0]=3 6170 B10R1.15 OCC(O)c1ccncc1 Amb23538718 [1,1,0,0,0,0|1,0,0]=3 6171 B10R1.15 OCC(O)c1ccncc1 Amb32656243 [1,1,0,0,0,0|1,0,0]=3 6172 B10R1.15 OCC(O)c1ccncn1 Amb33268587 [1,1,0,0,0,0|2,0,0]=4 6173 B10R1.15 OCC(O)c1cnccn1 Amb28079089 [1,1,0,0,0,0|2,0,0]=4 6174 B10R1.15 OCC(O)c1cncnc1 Amb28320860 [1,1,0,0,0,0|2,0,0]=4 6175 B10R1.15 OCC(O)c1ncccn1 Amb33270386 [1,1,0,0,0,0|2,0,0]=4 6176 B10R1.15 OCC(S)c1ccccc1 Amb25333535 [1,1,0,0,0,0|0,0,0]=2 6177 B10R1.15 OC[C@@H](O)c1ccccc1 Amb8514912 [1,1,0,0,0,0|0,0,0]=2 6178 B10R1.15 OC[C@@H](O)c1ccccn1 Amb26554033 [1,1,0,0,0,0|1,0,0]=3 6179 B10R1.15 OC[C@@H](O)c1cccnn1 Amb27839321 [1,1,0,0,0,0|2,0,0]=4 6180 B10R1.15 OC[C@@H](O)c1ccncc1 Amb28291407 [1,1,0,0,0,0|1,0,0]=3 6181 B10R1.15 OC[C@H](Br)c1ccccc1 Amb27798351 [1,1,0,0,0,0|0,0,0]=2 6182 B10R1.15 OC[C@H](Cl)c1ccccc1 Amb27659257 [1,1,0,0,0,0|0,0,0]=2 6183 B10R1.15 OC[C@H](O)c1ccccc1 Amb8389336 [1,1,0,0,0,0|0,0,0]=2 6184 B10R1.15 OC[C@H](O)c1ccccn1 Amb27838863 [1,1,0,0,0,0|1,0,0]=3 6185 B10R1.15 OC[C@H](S)c1ccccc1 Amb28207325 [1,1,0,0,0,0|0,0,0]=2 6186 B10R1.15 O[C@@H](CBr)c1ccccc1 Amb19929326 [1,1,0,0,0,0|1,0,0]=3 6187 B10R1.15 O[C@@H](CBr)c1cccnc1 Amb27614899 [1,1,0,0,0,0|2,0,0]=4 6188 B10R1.15 O[C@@H](CCl)c1ccccc1 Amb16231709 [1,1,0,0,0,0|1,0,0]=3 6189 B10R1.15 O[C@@H](CCl)c1ccccn1 Amb28122883 [1,1,0,0,0,0|2,0,0]=4 6190 B10R1.15 O[C@@H](CF)c1ccccc1 Amb24389146 [1,1,0,0,0,0|1,0,0]=3 6191 B10R1.15 O[C@@H](CF)c1ccccn1 Amb27839237 [1,1,0,0,0,0|2,0,0]=4 6192 B10R1.15 O[C@@H](CS)c1ccccc1 Amb27604413 [1,1,0,0,0,0|0,1,0]=3 6193 B10R1.15 O[C@H](CBr)c1ccccc1 Amb19929329 [1,1,0,0,0,0|1,0,0]=3 6194 B10R1.15 O[C@H](CCl)c1ccccc1 Amb8394082 [1,1,0,0,0,0|1,0,0]=3 6195 B10R1.15 O[C@H](CCl)c1ccncc1 Amb27973641 [1,1,0,0,0,0|2,0,0]=4 6196 B10R1.15 O[C@H](CF)c1ccccc1 Amb24437736 [1,1,0,0,0,0|1,0,0]=3 6197 B10R1.15 O[C@H](CF)c1ccccn1 Amb27979963 [1,1,0,0,0,0|2,0,0]=4 6198 B10R1.15 O[C@H](CS)c1ccccc1 Amb27494941 [1,1,0,0,0,0|0,1,0]=3 6199 B10R1.15 O\N=C(/Cl)c1ccccc1 Amb32411906 [1,1,0,0,0,0|1,0,1]=4 6200 B10R1.15 O\N=C(\Cl)c1ccccc1 Amb2684308 [1,1,0,0,0,0|1,0,1]=4 6201 B10R1.15 O\N=C(\O)c1ccccc1 Amb17843421 [1,1,0,0,0,0|1,0,1]=4 6202 B10R1.15 S=C(CBr)c1ccccc1 Amb27755078 [1,1,0,0,0,0|1,0,1]=4 6203 B10R1.15 [C-]#[N+]C(C)c1ccccc1 Amb2688979 [1,1,0,0,0,0|1,0,1]=4 6204 B10R1.15 [C-]#[N+][C@@H](C)c1ccccc1 Amb2684311 [1,1,0,0,0,0|1,0,1]=4 6205 B10R1.15 [C-]#[N+][C@H](C)c1ccccc1 Amb2684310 [1,1,0,0,0,0|1,0,1]=4 6206 B10R1.15 [NH3+]CC(=O)c1ccccc1 Amb9787668 [1,1,0,0,0,0|1,0,1]=4 6207 B10R1.18 BrC(Br)Cc1ccccc1 Amb28049679 [1,1,0,0,0,0|1,0,0]=3 6208 B10R1.18 C=C(Br)Cc1ccccc1 Amb2685457 [1,1,0,0,0,0|0,0,2]=4 6209 B10R1.18 C=C(C)Cc1cccnc1 Amb27624891 [1,1,0,0,0,0|1,0,1]=4 6210 B10R1.18 C=C(Cl)Cc1ccccc1 Amb27172505 [1,1,0,0,0,0|0,0,2]=4 6211 B10R1.18 C=C(N)Cc1ccccc1 Amb27424990 [1,1,0,0,0,0|0,0,2]=4 6212 B10R1.18 CC(=N)Nc1ccccc1 Amb1086198 [1,1,0,0,0,0|1,0,1]=4 6213 B10R1.18 CC(=O)C[n+]1ccccc1 Amb1102043 [1,1,0,0,0,0|1,0,1]=4 6214 B10R1.18 CC(=O)C[n+]1ccccc1 Amb4018023 [1,1,0,0,0,0|1,0,1]=4 6215 B10R1.18 CC(=O)C[n+]1ccccc1 Amb6366487 [1,1,0,0,0,0|1,0,1]=4 6216 B10R1.18 CC(=O)Cc1ccccc1 Amb4136401 [1,1,0,0,0,0|0,0,1]=3 6217 B10R1.18 CC(=O)Cc1ccccn1 Amb33527266 [1,1,0,0,0,0|1,0,1]=4 6218 B10R1.18 CC(=O)Cc1cccnc1 Amb10608569 [1,1,0,0,0,0|1,0,1]=4 6219 B10R1.18 CC(=O)Cc1cccnc1 Amb22587708 [1,1,0,0,0,0|1,0,1]=4 6220 B10R1.18 CC(=O)Cc1ccncc1 Amb17935754 [1,1,0,0,0,0|1,0,1]=4 6221 B10R1.18 CC(=O)Cc1ccncc1 Amb8390737 [1,1,0,0,0,0|1,0,1]=4 6222 B10R1.18 CC(=O)Nc1ccccc1 Amb6346349 [1,1,0,0,0,0|1,0,1]=4 6223 B10R1.18 CC(=O)Sc1ccccc1 Amb10575810 [1,1,0,0,0,0|1,0,1]=4 6224 B10R1.18 CC(=S)Cc1ccncc1 Amb27184042 [1,1,0,0,0,0|1,0,1]=4 6225 B10R1.18 CC(=S)Nc1ccccc1 Amb2613341 [1,1,0,0,0,0|1,0,1]=4 6226 B10R1.18 CC(Br)Cc1ccccc1 Amb3940198 [1,1,0,0,0,0|0,0,0]=2 6227 B10R1.18 CC(Br)Cc1ccccn1 Amb27424955 [1,1,0,0,0,0|1,0,0]=3 6228 B10R1.18 CC(Br)Cc1ccncc1 Amb33506239 [1,1,0,0,0,0|1,0,0]=3 6229 B10R1.18 CC(Br)Cc1ccncn1 Amb33240394 [1,1,0,0,0,0|2,0,0]=4 6230 B10R1.18 CC(Br)Cc1cnccn1 Amb33451665 [1,1,0,0,0,0|2,0,0]=4 6231 B10R1.18 CC(Br)Cc1cncnc1 Amb33450460 [1,1,0,0,0,0|2,0,0]=4 6232 B10R1.18 CC(Br)Cc1ncccn1 Amb33430062 [1,1,0,0,0,0|2,0,0]=4 6233 B10R1.18 CC(C)=Cc1ccccc1 Amb6296059 [1,1,0,0,0,0|0,0,2]=4 6234 B10R1.18 CC(C)C[n+]1ccccc1 Amb28189122 [1,1,0,0,0,0|1,0,0]=3 6235 B10R1.18 CC(C)Cc1ccccc1 Amb2778549 [1,1,0,0,0,0|0,0,0]=2 6236 B10R1.18 CC(C)Cc1ccccn1 Amb15691003 [1,1,0,0,0,0|1,0,0]=3 6237 B10R1.18 CC(C)Cc1cccnc1 Amb22043313 [1,1,0,0,0,0|1,0,0]=3 6238 B10R1.18 CC(C)Cc1ccncc1 Amb2613008 [1,1,0,0,0,0|1,0,0]=3 6239 B10R1.18 CC(C)Cc1ccncn1 Amb24070388 [1,1,0,0,0,0|2,0,0]=4 6240 B10R1.18 CC(C)Nc1ccccc1 Amb2720884 [1,1,0,0,0,0|1,0,0]=3 6241 B10R1.18 CC(C)Nc1ccccn1 Amb1104052 [1,1,0,0,0,0|2,0,0]=4 6242 B10R1.18 CC(C)Nc1cccnc1 Amb16231494 [1,1,0,0,0,0|2,0,0]=4 6243 B10R1.18 CC(C)Nc1cccnc1 Amb2382996 [1,1,0,0,0,0|2,0,0]=4 6244 B10R1.18 CC(C)Nc1ccncc1 Amb16231495 [1,1,0,0,0,0|2,0,0]=4 6245 B10R1.18 CC(C)Oc1ccccc1 Amb3429104 [1,1,0,0,0,0|1,0,0]=3 6246 B10R1.18 CC(C)Oc1ccccn1 Amb22304705 [1,1,0,0,0,0|2,0,0]=4 6247 B10R1.18 CC(C)Oc1cccnc1 Amb22898896 [1,1,0,0,0,0|2,0,0]=4 6248 B10R1.18 CC(C)Oc1ccncc1 Amb20242496 [1,1,0,0,0,0|2,0,0]=4 6249 B10R1.18 CC(C)Sc1ccccc1 Amb5721900 [1,1,0,0,0,0|1,0,0]=3 6250 B10R1.18 CC(Cl)Sc1ccncc1 Amb28045869 [1,1,0,0,0,0|2,0,0]=4 6251 B10R1.18 CC(N)Cc1ccccc1 Amb17608372 [1,1,0,0,0,0|0,0,0]=2 6252 B10R1.18 CC(N)Cc1ccccc1 Amb4079275 [1,1,0,0,0,0|0,0,0]=2 6253 B10R1.18 CC(N)Cc1ccccn1 Amb1995149 [1,1,0,0,0,0|1,0,0]=3 6254 B10R1.18 CC(N)Cc1cccnc1 Amb9712156 [1,1,0,0,0,0|1,0,0]=3 6255 B10R1.18 CC(N)Cc1ccncc1 Amb2592094 [1,1,0,0,0,0|1,0,0]=3 6256 B10R1.18 CC(N)Cc1cnccn1 Amb10609115 [1,1,0,0,0,0|2,0,0]=4 6257 B10R1.18 CC(N)Cc1cnccn1 Amb10609131 [1,1,0,0,0,0|2,0,0]=4 6258 B10R1.18 CC(N)Cc1cnccn1 Amb1995174 [1,1,0,0,0,0|2,0,0]=4 6259 B10R1.18 CC(N)Cc1ncccn1 Amb18064016 [1,1,0,0,0,0|2,0,0]=4 6260 B10R1.18 CC(O)CC1C=CC=CN1 Amb27431152 [1,1,0,0,0,0|1,0,1]=4 6261 B10R1.18 CC(O)C[n+]1ccccc1 Amb27213830 [1,1,0,0,0,0|1,0,0]=3 6262 B10R1.18 CC(O)Cc1ccccc1 Amb3940116 [1,1,0,0,0,0|0,0,0]=2 6263 B10R1.18 CC(O)Cc1ccccn1 Amb1995148 [1,1,0,0,0,0|1,0,0]=3 6264 B10R1.18 CC(O)Cc1cccnc1 Amb33530732 [1,1,0,0,0,0|1,0,0]=3 6265 B10R1.18 CC(O)Cc1ccncc1 Amb17477789 [1,1,0,0,0,0|1,0,0]=3 6266 B10R1.18 CC(O)Cc1ccncn1 Amb33474836 [1,1,0,0,0,0|2,0,0]=4 6267 B10R1.18 CC(O)Cc1cnccn1 Amb1995175 [1,1,0,0,0,0|2,0,0]=4 6268 B10R1.18 CC(O)Cc1cncnc1 Amb33465647 [1,1,0,0,0,0|2,0,0]=4 6269 B10R1.18 CC(O)Cc1ncccn1 Amb33295171 [1,1,0,0,0,0|2,0,0]=4 6270 B10R1.18 CC(O)Nc1ccccc1 Amb27771797 [1,1,0,0,0,0|1,0,0]=3 6271 B10R1.18 CC(O)Oc1ccccc1 Amb27838966 [1,1,0,0,0,0|1,0,0]=3 6272 B10R1.18 CC(S)Cc1ccccc1 Amb18177239 [1,1,0,0,0,0|0,0,0]=2 6273 B10R1.18 CN(C)Cc1ccccc1 Amb6608891 [1,1,0,0,0,0|1,0,0]=3 6274 B10R1.18 CN(C)Cc1ccccn1 Amb4010724 [1,1,0,0,0,0|2,0,0]=4 6275 B10R1.18 CN(C)Cc1cccnc1 Amb2694185 [1,1,0,0,0,0|2,0,0]=4 6276 B10R1.18 CN(C)Cc1ccncc1 Amb20247602 [1,1,0,0,0,0|2,0,0]=4 6277 B10R1.18 CN(C)Sc1ccccc1 Amb28388759 [1,1,0,0,0,0|2,0,0]=4 6278 B10R1.18 CN(N)Cc1ccccc1 Amb836790 [1,1,0,0,0,0|1,0,0]=3 6279 B10R1.18 CN(N)Cc1cccnc1 Amb28049624 [1,1,0,0,0,0|2,0,0]=4 6280 B10R1.18 CN(N)Cc1ccncc1 Amb27180025 [1,1,0,0,0,0|2,0,0]=4 6281 B10R1.18 CN(O)Cc1ccccc1 Amb27149097 [1,1,0,0,0,0|1,0,0]=3 6282 B10R1.18 CN(O)Cc1ccccn1 Amb33361076 [1,1,0,0,0,0|2,0,0]=4 6283 B10R1.18 CN(O)Cc1cccnc1 Amb33429419 [1,1,0,0,0,0|2,0,0]=4 6284 B10R1.18 CN(O)Cc1ccncc1 Amb33380608 [1,1,0,0,0,0|2,0,0]=4 6285 B10R1.18 CP(C)Cc1ccccc1 Amb26928754 [1,1,0,0,0,0|1,0,0]=3 6286 B10R1.18 CS(=O)Cc1ccccc1 Amb10565296 [1,1,0,0,0,0|1,0,0]=3 6287 B10R1.18 CS(=O)Nc1ccccc1 Amb27777995 [1,1,0,0,0,0|2,0,0]=4 6288 B10R1.18 C[C@@H](Br)Cc1ccccc1 Amb28182471 [1,1,0,0,0,0|0,0,0]=2 6289 B10R1.18 C[C@@H](Cl)Cc1ccccc1 Amb8389890 [1,1,0,0,0,0|0,0,0]=2 6290 B10R1.18 C[C@@H](I)Cc1ccccc1 Amb27199901 [1,1,0,0,0,0|0,0,0]=2 6291 B10R1.18 C[C@@H](N)Cc1ccccn1 Amb27754695 [1,1,0,0,0,0|1,0,0]=3 6292 B10R1.18 C[C@@H](N)Cc1cccnc1 Amb26602572 [1,1,0,0,0,0|1,0,0]=3 6293 B10R1.18 C[C@@H](N)Cc1ccncc1 Amb28044876 [1,1,0,0,0,0|1,0,0]=3 6294 B10R1.18 C[C@@H](N)Cc1ccncn1 Amb33268596 [1,1,0,0,0,0|2,0,0]=4 6295 B10R1.18 C[C@@H](N)Cc1cnccn1 Amb25127231 [1,1,0,0,0,0|2,0,0]=4 6296 B10R1.18 C[C@@H](N)Cc1cncnc1 Amb33149179 [1,1,0,0,0,0|2,0,0]=4 6297 B10R1.18 C[C@@H](N)Cc1ncccn1 Amb33225259 [1,1,0,0,0,0|2,0,0]=4 6298 B10R1.18 C[C@@H](O)Cc1ccccc1 Amb17938083 [1,1,0,0,0,0|0,0,0]=2 6299 B10R1.18 C[C@@H](O)Cc1ccccn1 Amb27839538 [1,1,0,0,0,0|1,0,0]=3 6300 B10R1.18 C[C@@H](O)Cc1cccnc1 Amb22896922 [1,1,0,0,0,0|1,0,0]=3 6301 B10R1.18 C[C@@H](O)Cc1ccncc1 Amb33380651 [1,1,0,0,0,0|1,0,0]=3 6302 B10R1.18 C[C@@H](O)Cc1ccncn1 Amb33268593 [1,1,0,0,0,0|2,0,0]=4 6303 B10R1.18 C[C@@H](O)Cc1cnccn1 Amb33359974 [1,1,0,0,0,0|2,0,0]=4 6304 B10R1.18 C[C@@H](O)Cc1cncnc1 Amb33149176 [1,1,0,0,0,0|2,0,0]=4 6305 B10R1.18 C[C@@H](O)Cc1ncccn1 Amb33270391 [1,1,0,0,0,0|2,0,0]=4 6306 B10R1.18 C[C@H](Br)Cc1ccccc1 Amb27484166 [1,1,0,0,0,0|0,0,0]=2 6307 B10R1.18 C[C@H](I)Cc1ccccc1 Amb27635996 [1,1,0,0,0,0|0,0,0]=2 6308 B10R1.18 C[C@H](N)Cc1ccccc1 Amb8395458 [1,1,0,0,0,0|0,0,0]=2 6309 B10R1.18 C[C@H](N)Cc1ccccn1 Amb24451425 [1,1,0,0,0,0|1,0,0]=3 6310 B10R1.18 C[C@H](N)Cc1cccnc1 Amb27145739 [1,1,0,0,0,0|1,0,0]=3 6311 B10R1.18 C[C@H](N)Cc1ccncc1 Amb28381274 [1,1,0,0,0,0|1,0,0]=3 6312 B10R1.18 C[C@H](N)Cc1ccncn1 Amb33268595 [1,1,0,0,0,0|2,0,0]=4 6313 B10R1.18 C[C@H](N)Cc1cnccn1 Amb24360532 [1,1,0,0,0,0|2,0,0]=4 6314 B10R1.18 C[C@H](N)Cc1cncnc1 Amb33149178 [1,1,0,0,0,0|2,0,0]=4 6315 B10R1.18 C[C@H](N)Cc1ncccn1 Amb33270393 [1,1,0,0,0,0|2,0,0]=4 6316 B10R1.18 C[C@H](O)Cc1ccccc1 Amb10068519 [1,1,0,0,0,0|0,0,0]=2 6317 B10R1.18 C[C@H](O)Cc1ccccn1 Amb26605951 [1,1,0,0,0,0|1,0,0]=3 6318 B10R1.18 C[C@H](O)Cc1cccnc1 Amb28041599 [1,1,0,0,0,0|1,0,0]=3 6319 B10R1.18 C[C@H](O)Cc1ccncc1 Amb33380652 [1,1,0,0,0,0|1,0,0]=3 6320 B10R1.18 C[C@H](O)Cc1ccncn1 Amb33268594 [1,1,0,0,0,0|2,0,0]=4 6321 B10R1.18 C[C@H](O)Cc1cnccn1 Amb33359975 [1,1,0,0,0,0|2,0,0]=4 6322 B10R1.18 C[C@H](O)Cc1cncnc1 Amb33149177 [1,1,0,0,0,0|2,0,0]=4 6323 B10R1.18 C[C@H](O)Cc1ncccn1 Amb33270392 [1,1,0,0,0,0|2,0,0]=4 6324 B10R1.18 C[SiH](C)Cc1ccccc1 Amb19893554 [1,1,0,0,0,0|0,1,0]=3 6325 B10R1.18 C[Si](C)Cc1ccccc1 Amb24527863 [1,1,0,0,0,0|0,1,0]=3 6326 B10R1.18 C\C(O)=C/c1ccccc1 Amb24095309 [1,1,0,0,0,0|0,0,2]=4 6327 B10R1.18 C\[N+]([O-])=C/c1ccccc1 Amb3988092 [1,1,0,0,0,0|1,0,1]=4 6328 B10R1.18 C\[N+]([O-])=C\c1ccccc1 Amb2420785 [1,1,0,0,0,0|1,0,1]=4 6329 B10R1.18 ClC(Cl)Cc1ccccc1 Amb25783924 [1,1,0,0,0,0|1,0,0]=3 6330 B10R1.18 ClC(Cl)Oc1ccccc1 Amb27758700 [1,1,0,0,0,0|2,0,0]=4 6331 B10R1.18 ClC(Cl)[SH2]c1ccccc1 Amb28396623 [1,1,0,0,0,0|2,0,0]=4 6332 B10R1.18 FC(F)Oc1ccccc1 Amb2687045 [1,1,0,0,0,0|2,0,0]=4 6333 B10R1.18 FC(F)Sc1ccccc1 Amb17232315 [1,1,0,0,0,0|2,0,0]=4 6334 B10R1.18 N=C(N)Cc1ccccc1 Amb33551496 [1,1,0,0,0,0|1,0,1]=4 6335 B10R1.18 N=C(N)Cc1ccccc1 Amb745036 [1,1,0,0,0,0|1,0,1]=4 6336 B10R1.18 N=C(O)Nc1ccccc1 Amb19516159 [1,1,0,0,0,0|1,0,1]=4 6337 B10R1.18 NC(=O)Cc1ccccc1 Amb1224937 [1,1,0,0,0,0|0,0,2]=4 6338 B10R1.18 NC(=S)Cc1ccccc1 Amb1646714 [1,1,0,0,0,0|0,1,1]=4 6339 B10R1.18 NC(N)Cc1ccccc1 Amb27823264 [1,1,0,0,0,0|1,0,0]=3 6340 B10R1.18 NC(O)Cc1ccccc1 Amb25348475 [1,1,0,0,0,0|0,0,0]=2 6341 B10R1.18 NS(=O)Cc1ccccc1 Amb28370210 [1,1,0,0,0,0|1,0,1]=4 6342 B10R1.18 O=C(Br)Cc1ccccc1 Amb2609678 [1,1,0,0,0,0|0,0,2]=4 6343 B10R1.18 O=C(Cl)Cc1ccccc1 Amb2792901 [1,1,0,0,0,0|0,0,2]=4 6344 B10R1.18 O=C(O)C[n+]1ccccc1 Amb23468426 [1,1,0,0,0,0|1,0,1]=4 6345 B10R1.18 O=C(O)Cc1cc[nH+]cc1 Amb24113836 [1,1,0,0,0,0|1,0,1]=4 6346 B10R1.18 O=C(O)Cc1cccc[nH+]1 Amb24113838 [1,1,0,0,0,0|1,0,1]=4 6347 B10R1.18 O=C(O)Cc1ccccc1 Amb6461144 [1,1,0,0,0,0|0,0,1]=3 6348 B10R1.18 O=C(O)Cc1ccccn1 Amb2720201 [1,1,0,0,0,0|1,0,1]=4 6349 B10R1.18 O=C(O)Cc1ccccn1 Amb3940142 [1,1,0,0,0,0|1,0,1]=4 6350 B10R1.18 O=C(O)Cc1cccnc1 Amb2720203 [1,1,0,0,0,0|1,0,1]=4 6351 B10R1.18 O=C(O)Cc1cccnc1 Amb2720470 [1,1,0,0,0,0|1,0,1]=4 6352 B10R1.18 O=C(O)Cc1ccncc1 Amb2720202 [1,1,0,0,0,0|1,0,1]=4 6353 B10R1.18 O=C(O)Cc1ccncc1 Amb3940535 [1,1,0,0,0,0|1,0,1]=4 6354 B10R1.18 O=C(O)Nc1ccccc1 Amb34916595 [1,1,0,0,0,0|1,0,1]=4 6355 B10R1.18 O=C([O-])Cc1ccccc1 Amb20240609 [1,1,0,0,0,0|0,0,2]=4 6356 B10R1.18 O=C([O-])Cc1ccccc1 Amb20246797 [1,1,0,0,0,0|0,0,2]=4 6357 B10R1.18 O=S(Cl)Cc1ccccc1 Amb28050330 [1,1,0,0,0,0|1,0,1]=4 6358 B10R1.18 O=S(O)Cc1ccccc1 Amb27872793 [1,1,0,0,0,0|1,0,0]=3 6359 B10R1.18 O=S(O)Oc1ccccc1 Amb27964140 [1,1,0,0,0,0|2,0,0]=4 6360 B10R1.18 O=S([O-])Cc1ccccc1 Amb28430335 [1,1,0,0,0,0|1,0,1]=4 6361 B10R1.18 O=[N+]([O-])Cc1ccccc1 Amb10606416 [1,1,0,0,0,0|1,0,1]=4 6362 B10R1.18 O=[PH](O)Cc1ccccc1 Amb24617740 [1,1,0,0,0,0|1,0,0]=3 6363 B10R1.18 OB(O)Cc1ccccc1 Amb10071580 [1,1,0,0,0,0|1,0,0]=3 6364 B10R1.18 OB(O)Nc1ccccc1 Amb27630373 [1,1,0,0,0,0|2,0,0]=4 6365 B10R1.18 OC(=S)Cc1ccccc1 Amb22262974 [1,1,0,0,0,0|0,0,1]=3 6366 B10R1.18 OC(Cl)Cc1ccccc1 Amb27228646 [1,1,0,0,0,0|0,0,0]=2 6367 B10R1.18 OC(Cl)Oc1ccccc1 Amb28255528 [1,1,0,0,0,0|1,0,0]=3 6368 B10R1.18 OC(F)Cc1ccccc1 Amb25147731 [1,1,0,0,0,0|0,0,0]=2 6369 B10R1.18 OC(O)Oc1ccccc1 Amb27790325 [1,1,0,0,0,0|1,0,0]=3 6370 B10R1.18 S=C(Cl)Cc1ccccc1 Amb28203639 [1,1,0,0,0,0|0,1,1]=4 6371 B10R1.11 CC(CCBr)c1cccs1 Amb17243542 [0,1,0,0,1,0|2,0,0]=4 6372 B10R1.11 CC(CCCl)c1cccs1 Amb17233057 [0,1,0,0,1,0|2,0,0]=4 6373 B10R1.11 CC(CCN)c1ccco1 Amb17226683 [0,1,0,0,1,0|2,0,0]=4 6374 B10R1.11 CC(CCN)c1cccs1 Amb5739005 [0,1,0,0,1,0|2,0,0]=4 6375 B10R1.11 CC(CCN)c1ccoc1 Amb27837761 [0,1,0,0,1,0|2,0,0]=4 6376 B10R1.11 CC(CCN)c1ccsc1 Amb28049507 [0,1,0,0,1,0|2,0,0]=4 6377 B10R1.11 CC(CCO)c1ccco1 Amb27604308 [0,1,0,0,1,0|1,0,0]=3 6378 B10R1.11 CC(CCO)c1cccs1 Amb17232175 [0,1,0,0,1,0|1,0,0]=3 6379 B10R1.11 CC(CCO)c1ccsc1 Amb25676863 [0,1,0,0,1,0|1,0,0]=3 6380 B10R1.11 CC(CCO)n1cccn1 Amb8428172 [0,1,0,0,1,0|2,0,0]=4 6381 B10R1.11 CC(CCO)n1ccnc1 Amb33811867 [0,1,0,0,1,0|2,0,0]=4 6382 B10R1.11 CCCC(Cl)c1ccco1 Amb17138479 [0,1,0,0,1,0|2,0,0]=4 6383 B10R1.11 CCCC(Cl)c1cccs1 Amb17138753 [0,1,0,0,1,0|2,0,0]=4 6384 B10R1.11 CCCC(N)c1ccco1 Amb18991109 [0,1,0,0,1,0|2,0,0]=4 6385 B10R1.11 CCCC(N)c1ccco1 Amb35745825 [0,1,0,0,1,0|2,0,0]=4 6386 B10R1.11 CCCC(N)c1cccs1 Amb17622125 [0,1,0,0,1,0|2,0,0]=4 6387 B10R1.11 CCCC(N)c1cccs1 Amb5380417 [0,1,0,0,1,0|2,0,0]=4 6388 B10R1.11 CCCC(N)c1ccoc1 Amb18832008 [0,1,0,0,1,0|2,0,0]=4 6389 B10R1.11 CCCC(N)c1ccsc1 Amb18294779 [0,1,0,0,1,0|2,0,0]=4 6390 B10R1.11 CCCC(N)c1ccsc1 Amb35745772 [0,1,0,0,1,0|2,0,0]=4 6391 B10R1.11 CCCC(O)c1ccco1 Amb4139715 [0,1,0,0,1,0|2,0,0]=4 6392 B10R1.11 CCCC(O)c1cccs1 Amb4314141 [0,1,0,0,1,0|2,0,0]=4 6393 B10R1.11 CCC[C@@H](N)c1ccsc1 Amb28057709 [0,1,0,0,1,0|2,0,0]=4 6394 B10R1.11 NC(CCO)c1ccco1 Amb18120550 [0,1,0,0,1,0|1,0,0]=3 6395 B10R1.11 NC(CCO)c1cccs1 Amb2408105 [0,1,0,0,1,0|1,0,0]=3 6396 B10R1.11 NC(CCO)c1ccns1 Amb35731016 [0,1,0,0,1,0|2,0,0]=4 6397 B10R1.11 NC(CCO)c1ccoc1 Amb2697494 [0,1,0,0,1,0|1,0,0]=3 6398 B10R1.11 NC(CCO)c1ccon1 Amb33198799 [0,1,0,0,1,0|2,0,0]=4 6399 B10R1.11 NC(CCO)c1ccsc1 Amb2408152 [0,1,0,0,1,0|1,0,0]=3 6400 B10R1.11 NC(CCO)c1cnco1 Amb33415762 [0,1,0,0,1,0|2,0,0]=4 6401 B10R1.11 NC(CCO)c1cncs1 Amb24436231 [0,1,0,0,1,0|2,0,0]=4 6402 B10R1.11 NC(CCO)c1cncs1 Amb32932461 [0,1,0,0,1,0|2,0,0]=4 6403 B10R1.11 NC(CCO)c1cscn1 Amb26003706 [0,1,0,0,1,0|2,0,0]=4 6404 B10R1.11 NC(CCO)c1nccs1 Amb8010928 [0,1,0,0,1,0|2,0,0]=4 6405 B10R1.11 NCCC(F)c1ccco1 Amb25888012 [0,1,0,0,1,0|2,0,0]=4 6406 B10R1.11 NCCC(F)c1cccs1 Amb25050095 [0,1,0,0,1,0|2,0,0]=4 6407 B10R1.11 NCCC(F)c1ccoc1 Amb25721824 [0,1,0,0,1,0|2,0,0]=4 6408 B10R1.11 NCCC(F)c1ccsc1 Amb25786606 [0,1,0,0,1,0|2,0,0]=4 6409 B10R1.11 NCCC(N)c1ccsc1 Amb27818221 [0,1,0,0,1,0|2,0,0]=4 6410 B10R1.11 NCCC(O)c1ccco1 Amb17079150 [0,1,0,0,1,0|2,0,0]=4 6411 B10R1.11 NCCC(O)c1cccs1 Amb17079131 [0,1,0,0,1,0|2,0,0]=4 6412 B10R1.11 NCCC(O)c1ccoc1 Amb22642024 [0,1,0,0,1,0|2,0,0]=4 6413 B10R1.11 NCCC(O)c1ccsc1 Amb18251534 [0,1,0,0,1,0|2,0,0]=4 6414 B10R1.11 NCC[C@@H](N)c1ccco1 Amb28056568 [0,1,0,0,1,0|2,0,0]=4 6415 B10R1.11 NCC[C@@H](N)c1cccs1 Amb28132464 [0,1,0,0,1,0|2,0,0]=4 6416 B10R1.11 NCC[C@@H](O)c1ccco1 Amb33224899 [0,1,0,0,1,0|2,0,0]=4 6417 B10R1.11 NCC[C@@H](O)c1cccs1 Amb27661452 [0,1,0,0,1,0|2,0,0]=4 6418 B10R1.11 NCC[C@@H](O)c1ccoc1 Amb33360986 [0,1,0,0,1,0|2,0,0]=4 6419 B10R1.11 NCC[C@@H](O)c1ccsc1 Amb33428931 [0,1,0,0,1,0|2,0,0]=4 6420 B10R1.11 NCC[C@H](N)c1ccoc1 Amb28056209 [0,1,0,0,1,0|2,0,0]=4 6421 B10R1.11 NCC[C@H](N)c1ccsc1 Amb27786529 [0,1,0,0,1,0|2,0,0]=4 6422 B10R1.11 NCC[C@H](O)c1ccco1 Amb33360965 [0,1,0,0,1,0|2,0,0]=4 6423 B10R1.11 NCC[C@H](O)c1cccs1 Amb27972377 [0,1,0,0,1,0|2,0,0]=4 6424 B10R1.11 NCC[C@H](O)c1ccoc1 Amb33360985 [0,1,0,0,1,0|2,0,0]=4 6425 B10R1.11 N[C@@H](CCO)c1ccco1 Amb26508556 [0,1,0,0,1,0|1,0,0]=3 6426 B10R1.11 N[C@@H](CCO)c1cccs1 Amb25835841 [0,1,0,0,1,0|1,0,0]=3 6427 B10R1.11 N[C@@H](CCO)c1ccoc1 Amb27644767 [0,1,0,0,1,0|1,0,0]=3 6428 B10R1.11 N[C@@H](CCO)c1ccsc1 Amb26068408 [0,1,0,0,1,0|1,0,0]=3 6429 B10R1.11 N[C@@H](CCO)c1cncs1 Amb32794311 [0,1,0,0,1,0|2,0,0]=4 6430 B10R1.11 N[C@@H](CCO)c1nccs1 Amb28184356 [0,1,0,0,1,0|2,0,0]=4 6431 B10R1.11 N[C@H](CCO)c1ccco1 Amb25887590 [0,1,0,0,1,0|1,0,0]=3 6432 B10R1.11 N[C@H](CCO)c1cccs1 Amb27593024 [0,1,0,0,1,0|1,0,0]=3 6433 B10R1.11 N[C@H](CCO)c1ccsc1 Amb25679671 [0,1,0,0,1,0|1,0,0]=3 6434 B10R1.11 N[C@H](CCO)c1cncs1 Amb32794342 [0,1,0,0,1,0|2,0,0]=4 6435 B10R1.11 N[C@H](CCO)c1nccs1 Amb25117312 [0,1,0,0,1,0|2,0,0]=4 6436 B10R1.11 O=C(CCO)c1cccs1 Amb18563468 [0,1,0,0,1,0|1,0,1]=4 6437 B10R1.11 OC(CCCl)c1cccs1 Amb8385892 [0,1,0,0,1,0|2,0,0]=4 6438 B10R1.11 OCCC(O)c1ccco1 Amb26495043 [0,1,0,0,1,0|1,0,0]=3 6439 B10R1.11 OCCC(O)c1cccs1 Amb18065453 [0,1,0,0,1,0|1,0,0]=3 6440 B10R1.11 OCCC(O)c1ccoc1 Amb27847544 [0,1,0,0,1,0|1,0,0]=3 6441 B10R1.11 OCC[C@H](O)c1cccs1 Amb28044388 [0,1,0,0,1,0|1,0,0]=3 6442 B10R1.11 ONCC(O)c1ccco1 Amb17334210 [0,1,0,0,1,0|2,0,0]=4 6443 B10R1.11 ONCC(O)c1cccs1 Amb17334462 [0,1,0,0,1,0|2,0,0]=4 6444 B10R1.11 O[C@H](CCCl)c1ccco1 Amb27862579 [0,1,0,0,1,0|2,0,0]=4 6445 B10R1.11 O[C@H](CCCl)c1cccs1 Amb27407767 [0,1,0,0,1,0|2,0,0]=4 6446 B10R1.11 O[C@H](CCCl)c1ccoc1 Amb27471862 [0,1,0,0,1,0|2,0,0]=4 6447 B10R1.16 BrCCCc1cc(Br)co1 Amb33431986 [0,1,0,0,1,0|2,0,0]=4 6448 B10R1.16 BrCCCc1cc(Br)cs1 Amb26451778 [0,1,0,0,1,0|2,0,0]=4 6449 B10R1.16 BrCCCc1ccc(Br)o1 Amb25234702 [0,1,0,0,1,0|2,0,0]=4 6450 B10R1.16 BrCCCc1ccc(Br)s1 Amb27760846 [0,1,0,0,1,0|2,0,0]=4 6451 B10R1.16 BrCCCc1coc(Br)c1 Amb27648040 [0,1,0,0,1,0|2,0,0]=4 6452 B10R1.16 BrCCCc1csc(Br)c1 Amb33433286 [0,1,0,0,1,0|2,0,0]=4 6453 B10R1.16 CCCCc1cc(Br)cs1 Amb27199853 [0,1,0,0,1,0|2,0,0]=4 6454 B10R1.16 CCCCc1cc(N)cs1 Amb28251056 [0,1,0,0,1,0|2,0,0]=4 6455 B10R1.16 CCCCc1ccc(Br)s1 Amb28401526 [0,1,0,0,1,0|2,0,0]=4 6456 B10R1.16 CCCCc1ccc(C)o1 Amb4018006 [0,1,0,0,1,0|2,0,0]=4 6457 B10R1.16 CCCCc1ccc(C)s1 Amb10807431 [0,1,0,0,1,0|2,0,0]=4 6458 B10R1.16 CCCCc1ccc(F)s1 Amb27268693 [0,1,0,0,1,0|2,0,0]=4 6459 B10R1.16 Cc1cc(CCCBr)cs1 Amb26445035 [0,1,0,0,1,0|2,0,0]=4 6460 B10R1.16 Cc1cc(CCCCl)cs1 Amb25312736 [0,1,0,0,1,0|2,0,0]=4 6461 B10R1.16 Cc1cc(CCCN)co1 Amb18832018 [0,1,0,0,1,0|2,0,0]=4 6462 B10R1.16 Cc1cc(CCCO)cs1 Amb25797741 [0,1,0,0,1,0|1,0,0]=3 6463 B10R1.16 Cc1cc(CCCO)no1 Amb26991862 [0,1,0,0,1,0|2,0,0]=4 6464 B10R1.16 Cc1cc(CCCO)on1 Amb8385690 [0,1,0,0,1,0|2,0,0]=4 6465 B10R1.16 Cc1ccc(CCCBr)o1 Amb26597326 [0,1,0,0,1,0|2,0,0]=4 6466 B10R1.16 Cc1ccc(CCCBr)s1 Amb25285158 [0,1,0,0,1,0|2,0,0]=4 6467 B10R1.16 Cc1ccc(CCCI)o1 Amb27869966 [0,1,0,0,1,0|2,0,0]=4 6468 B10R1.16 Cc1ccc(CCCN)o1 Amb17477776 [0,1,0,0,1,0|2,0,0]=4 6469 B10R1.16 Cc1ccc(CCCN)s1 Amb18830839 [0,1,0,0,1,0|2,0,0]=4 6470 B10R1.16 Cc1ccc(CCCO)o1 Amb17477780 [0,1,0,0,1,0|1,0,0]=3 6471 B10R1.16 Cc1ccc(CCCO)s1 Amb17605793 [0,1,0,0,1,0|1,0,0]=3 6472 B10R1.16 Cc1ccc(CCCS)o1 Amb28187355 [0,1,0,0,1,0|1,1,0]=4 6473 B10R1.16 Cc1ccc(CCCS)s1 Amb33375151 [0,1,0,0,1,0|1,1,0]=4 6474 B10R1.16 Cc1ccn(CCCO)n1 Amb6888919 [0,1,0,0,1,0|2,0,0]=4 6475 B10R1.16 Cc1cnc(CCCO)o1 Amb17087664 [0,1,0,0,1,0|2,0,0]=4 6476 B10R1.16 Cc1cnc(CCCO)s1 Amb32948840 [0,1,0,0,1,0|2,0,0]=4 6477 B10R1.16 Cc1cnn(CCCO)c1 Amb33535547 [0,1,0,0,1,0|2,0,0]=4 6478 B10R1.16 Cc1coc(CCCBr)c1 Amb27200697 [0,1,0,0,1,0|2,0,0]=4 6479 B10R1.16 Cc1coc(CCCCl)c1 Amb28436316 [0,1,0,0,1,0|2,0,0]=4 6480 B10R1.16 Cc1csc(CCCBr)c1 Amb33333312 [0,1,0,0,1,0|2,0,0]=4 6481 B10R1.16 Cc1csc(CCCN)c1 Amb18830842 [0,1,0,0,1,0|2,0,0]=4 6482 B10R1.16 Cc1csc(CCCO)c1 Amb33373481 [0,1,0,0,1,0|1,0,0]=3 6483 B10R1.16 Cc1csc(CCCO)n1 Amb27810777 [0,1,0,0,1,0|2,0,0]=4 6484 B10R1.16 Cc1csc(CCCS)c1 Amb33373439 [0,1,0,0,1,0|1,1,0]=4 6485 B10R1.16 Cc1nc(CCCO)cs1 Amb28282036 [0,1,0,0,1,0|2,0,0]=4 6486 B10R1.16 Cc1ncc(CCCO)o1 Amb25257131 [0,1,0,0,1,0|2,0,0]=4 6487 B10R1.16 Cc1ncc(CCCO)s1 Amb24693717 [0,1,0,0,1,0|2,0,0]=4 6488 B10R1.16 ClCCCc1cc(Br)cs1 Amb27172709 [0,1,0,0,1,0|2,0,0]=4 6489 B10R1.16 ClCCCc1ccc(Br)o1 Amb26626518 [0,1,0,0,1,0|2,0,0]=4 6490 B10R1.16 ClCCCc1ccc(Br)s1 Amb26637309 [0,1,0,0,1,0|2,0,0]=4 6491 B10R1.16 ClCCCc1ccc(Cl)s1 Amb19062471 [0,1,0,0,1,0|2,0,0]=4 6492 B10R1.16 ClCCCc1coc(Br)c1 Amb24504782 [0,1,0,0,1,0|2,0,0]=4 6493 B10R1.16 ClCCCc1csc(Cl)c1 Amb25976039 [0,1,0,0,1,0|2,0,0]=4 6494 B10R1.16 Clc1cc(CCCBr)cs1 Amb26390770 [0,1,0,0,1,0|2,0,0]=4 6495 B10R1.16 Clc1ccc(CCCBr)o1 Amb33335968 [0,1,0,0,1,0|2,0,0]=4 6496 B10R1.16 Clc1ccc(CCCBr)s1 Amb26652621 [0,1,0,0,1,0|2,0,0]=4 6497 B10R1.16 Clc1csc(CCCBr)c1 Amb33431728 [0,1,0,0,1,0|2,0,0]=4 6498 B10R1.16 Cn1cc(CCCO)cn1 Amb2796362 [0,1,0,0,1,0|2,0,0]=4 6499 B10R1.16 Cn1cc[n+](CCCO)c1 Amb27826398 [0,1,0,0,1,0|2,0,0]=4 6500 B10R1.16 Cn1ccc(CCCN)c1 Amb18562123 [0,1,0,0,1,0|2,0,0]=4 6501 B10R1.16 Cn1ccc(CCCO)c1 Amb18223708 [0,1,0,0,1,0|1,0,0]=3 6502 B10R1.16 Cn1ccc(CCCO)n1 Amb1971494 [0,1,0,0,1,0|2,0,0]=4 6503 B10R1.16 Cn1cnc(CCCO)c1 Amb25343793 [0,1,0,0,1,0|2,0,0]=4 6504 B10R1.16 NCCCc1cc(Br)co1 Amb27635362 [0,1,0,0,1,0|2,0,0]=4 6505 B10R1.16 NCCCc1cc(Br)cs1 Amb18991742 [0,1,0,0,1,0|2,0,0]=4 6506 B10R1.16 NCCCc1cc(Cl)cs1 Amb33057569 [0,1,0,0,1,0|2,0,0]=4 6507 B10R1.16 NCCCc1ccc(Br)o1 Amb27165463 [0,1,0,0,1,0|2,0,0]=4 6508 B10R1.16 NCCCc1ccc(Br)s1 Amb9304918 [0,1,0,0,1,0|2,0,0]=4 6509 B10R1.16 NCCCc1ccc(Cl)o1 Amb24744527 [0,1,0,0,1,0|2,0,0]=4 6510 B10R1.16 NCCCc1ccc(Cl)s1 Amb33529118 [0,1,0,0,1,0|2,0,0]=4 6511 B10R1.16 NCCCc1ccc(F)o1 Amb27813597 [0,1,0,0,1,0|2,0,0]=4 6512 B10R1.16 NCCCc1csc(Br)c1 Amb33432834 [0,1,0,0,1,0|2,0,0]=4 6513 B10R1.16 Nc1ccn(CCCO)n1 Amb18293281 [0,1,0,0,1,0|2,0,0]=4 6514 B10R1.16 Nc1cn(CCCO)cn1 Amb25887645 [0,1,0,0,1,0|2,0,0]=4 6515 B10R1.16 Nc1cnn(CCCO)c1 Amb18980779 [0,1,0,0,1,0|2,0,0]=4 6516 B10R1.16 Nc1nc(CCCO)cs1 Amb27445737 [0,1,0,0,1,0|2,0,0]=4 6517 B10R1.16 Nc1ncc(CCCO)s1 Amb22497848 [0,1,0,0,1,0|2,0,0]=4 6518 B10R1.16 O=C1C=C[C@H](CCCO)O1 Amb27171273 [0,1,0,0,1,0|1,0,1]=4 6519 B10R1.16 OCCCc1cc(Br)co1 Amb26917079 [0,1,0,0,1,0|1,0,0]=3 6520 B10R1.16 OCCCc1cc(Br)cs1 Amb23537991 [0,1,0,0,1,0|1,0,0]=3 6521 B10R1.16 OCCCc1cc(Cl)cs1 Amb26938355 [0,1,0,0,1,0|1,0,0]=3 6522 B10R1.16 OCCCc1cc(I)co1 Amb27186786 [0,1,0,0,1,0|1,0,0]=3 6523 B10R1.16 OCCCc1ccc(Br)o1 Amb25800149 [0,1,0,0,1,0|1,0,0]=3 6524 B10R1.16 OCCCc1ccc(Br)s1 Amb25054989 [0,1,0,0,1,0|1,0,0]=3 6525 B10R1.16 OCCCc1ccc(Cl)o1 Amb26458673 [0,1,0,0,1,0|1,0,0]=3 6526 B10R1.16 OCCCc1ccc(Cl)s1 Amb18804618 [0,1,0,0,1,0|1,0,0]=3 6527 B10R1.16 OCCCc1cnc(Br)s1 Amb22497849 [0,1,0,0,1,0|2,0,0]=4 6528 B10R1.16 OCCCc1cnc(Cl)s1 Amb33221786 [0,1,0,0,1,0|2,0,0]=4 6529 B10R1.16 OCCCc1coc(Br)c1 Amb26910291 [0,1,0,0,1,0|1,0,0]=3 6530 B10R1.16 OCCCc1csc(Br)c1 Amb33433594 [0,1,0,0,1,0|1,0,0]=3 6531 B10R1.16 OCCCc1csc(Br)n1 Amb33335504 [0,1,0,0,1,0|2,0,0]=4 6532 B10R1.16 OCCCc1csc(Cl)c1 Amb27836910 [0,1,0,0,1,0|1,0,0]=3 6533 B10R1.16 OCCCc1csc(Cl)n1 Amb27638474 [0,1,0,0,1,0|2,0,0]=4 6534 B10R1.16 OCCCc1ncc(Br)s1 Amb33213594 [0,1,0,0,1,0|2,0,0]=4 6535 B10R1.16 OCCCn1cc(Br)cn1 Amb1995280 [0,1,0,0,1,0|2,0,0]=4 6536 B10R1.16 OCCCn1cc(Cl)cn1 Amb6888921 [0,1,0,0,1,0|2,0,0]=4 6537 B10R1.16 OCCCn1cc(I)cn1 Amb23449627 [0,1,0,0,1,0|2,0,0]=4 6538 B10R1.16 OCCCn1cc(O)cn1 Amb27405908 [0,1,0,0,1,0|2,0,0]=4 6539 B10R1.16 OCCCn1ccc(Cl)n1 Amb28047914 [0,1,0,0,1,0|2,0,0]=4 6540 B10R1.16 OCCCn1cnc(Br)c1 Amb28042969 [0,1,0,0,1,0|2,0,0]=4 6541 B10R1.16 OCCNc1cc(Br)cs1 Amb27945888 [0,1,0,0,1,0|2,0,0]=4 6542 B10R1.16 OCCNc1ccc(Br)s1 Amb25041822 [0,1,0,0,1,0|2,0,0]=4 6543 B10R1.16 OCCNc1ccc(Cl)s1 Amb24524684 [0,1,0,0,1,0|2,0,0]=4 6544 B10R1.16 OCCNn1ccc(O)c1 Amb27484532 [0,1,0,0,1,0|2,0,0]=4 6545 B10R1.16 OCCSc1ccc(Cl)s1 Amb28286881 [0,1,0,0,1,0|2,0,0]=4 6546 B10R1.16 SCCCc1cc(Br)co1 Amb33432343 [0,1,0,0,1,0|1,1,0]=4 6547 B10R1.16 SCCCc1cc(Br)cs1 Amb25909730 [0,1,0,0,1,0|1,1,0]=4 6548 B10R1.16 SCCCc1cc(Cl)cs1 Amb33058276 [0,1,0,0,1,0|1,1,0]=4 6549 B10R1.16 SCCCc1ccc(Br)o1 Amb33452203 [0,1,0,0,1,0|1,1,0]=4 6550 B10R1.16 SCCCc1ccc(Br)s1 Amb26991544 [0,1,0,0,1,0|1,1,0]=4 6551 B10R1.16 SCCCc1ccc(Cl)o1 Amb33258686 [0,1,0,0,1,0|1,1,0]=4 6552 B10R1.16 SCCCc1ccc(Cl)s1 Amb24643995 [0,1,0,0,1,0|1,1,0]=4 6553 B10R1.16 SCCCc1csc(Br)c1 Amb33433623 [0,1,0,0,1,0|1,1,0]=4 6554 B10R1.21 BrCCCCc1cccs1 Amb25085582 [0,1,0,0,1,0|2,0,0]=4 6555 B10R1.21 BrCCCCc1ccsc1 Amb26637227 [0,1,0,0,1,0|2,0,0]=4 6556 B10R1.21 BrCCCCn1cccc1 Amb28312928 [0,1,0,0,1,0|2,0,0]=4 6557 B10R1.21 BrCCNCc1cccs1 Amb27393419 [0,1,0,0,1,0|2,0,0]=4 6558 B10R1.21 C#CCCCc1ccsc1 Amb33223691 [0,1,0,0,1,0|2,0,0]=4 6559 B10R1.21 C#CCCCn1cccc1 Amb27244976 [0,1,0,0,1,0|2,0,0]=4 6560 B10R1.21 C=CCCCC1=CCC=C1 Amb27816709 [0,1,0,0,1,0|1,0,1]=4 6561 B10R1.21 C=CCCCc1cccs1 Amb27758442 [0,1,0,0,1,0|2,0,0]=4 6562 B10R1.21 C=CCCCn1cccc1 Amb26551919 [0,1,0,0,1,0|2,0,0]=4 6563 B10R1.21 CCCCCc1ccco1 Amb8393189 [0,1,0,0,1,0|2,0,0]=4 6564 B10R1.21 CCCCCc1cccs1 Amb2779226 [0,1,0,0,1,0|2,0,0]=4 6565 B10R1.21 CCCCCc1ccsc1 Amb20621787 [0,1,0,0,1,0|2,0,0]=4 6566 B10R1.21 CCCCNc1cccs1 Amb28252106 [0,1,0,0,1,0|2,0,0]=4 6567 B10R1.21 CCCCNn1cccc1 Amb28344466 [0,1,0,0,1,0|2,0,0]=4 6568 B10R1.21 CCCNCc1ccco1 Amb1127967 [0,1,0,0,1,0|2,0,0]=4 6569 B10R1.21 CCCNCc1ccco1 Amb19890265 [0,1,0,0,1,0|2,0,0]=4 6570 B10R1.21 CCCNCc1cccs1 Amb19890386 [0,1,0,0,1,0|2,0,0]=4 6571 B10R1.21 CCCNCc1cccs1 Amb837811 [0,1,0,0,1,0|2,0,0]=4 6572 B10R1.21 CCCNCc1ccsc1 Amb5262474 [0,1,0,0,1,0|2,0,0]=4 6573 B10R1.21 CCCNCc1ccsc1 Amb6868338 [0,1,0,0,1,0|2,0,0]=4 6574 B10R1.21 CCCSCc1ccco1 Amb24430614 [0,1,0,0,1,0|2,0,0]=4 6575 B10R1.21 CCNCCc1cccs1 Amb6697855 [0,1,0,0,1,0|2,0,0]=4 6576 B10R1.21 CCSCCn1cccc1 Amb28457745 [0,1,0,0,1,0|2,0,0]=4 6577 B10R1.21 CNCCCc1ccco1 Amb534654 [0,1,0,0,1,0|2,0,0]=4 6578 B10R1.21 CNCCCc1cccs1 Amb17104498 [0,1,0,0,1,0|2,0,0]=4 6579 B10R1.21 CNCCCc1ccoc1 Amb27446253 [0,1,0,0,1,0|2,0,0]=4 6580 B10R1.21 CNCCCc1ccsc1 Amb19025786 [0,1,0,0,1,0|2,0,0]=4 6581 B10R1.21 COCCOc1cccs1 Amb27263613 [0,1,0,0,1,0|2,0,0]=4 6582 B10R1.21 COCCOc1ccsc1 Amb26499890 [0,1,0,0,1,0|2,0,0]=4 6583 B10R1.21 COCCSc1cccs1 Amb27480231 [0,1,0,0,1,0|2,0,0]=4 6584 B10R1.21 CONCCc1cccs1 Amb27265782 [0,1,0,0,1,0|2,0,0]=4 6585 B10R1.21 CONCCc1ccsc1 Amb28461492 [0,1,0,0,1,0|2,0,0]=4 6586 B10R1.21 CSCCCn1cccc1 Amb27877824 [0,1,0,0,1,0|1,1,0]=4 6587 B10R1.21 ClCCCCc1ccco1 Amb17138477 [0,1,0,0,1,0|2,0,0]=4 6588 B10R1.21 ClCCCCc1cccs1 Amb8860566 [0,1,0,0,1,0|2,0,0]=4 6589 B10R1.21 ClCCCCc1ccsc1 Amb26616509 [0,1,0,0,1,0|2,0,0]=4 6590 B10R1.21 ClCCCSc1cccs1 Amb6717250 [0,1,0,0,1,0|2,0,0]=4 6591 B10R1.21 ClCCNCc1ccco1 Amb17334486 [0,1,0,0,1,0|2,0,0]=4 6592 B10R1.21 ClCCOCc1cccs1 Amb18795876 [0,1,0,0,1,0|2,0,0]=4 6593 B10R1.21 ClCOCCc1cccs1 Amb27174992 [0,1,0,0,1,0|2,0,0]=4 6594 B10R1.21 FCCNCc1ccsc1 Amb27837857 [0,1,0,0,1,0|2,0,0]=4 6595 B10R1.21 ICCNCc1ccsc1 Amb27851380 [0,1,0,0,1,0|2,0,0]=4 6596 B10R1.21 N#CCCCc1cccs1 Amb17232095 [0,1,0,0,1,0|2,0,0]=4 6597 B10R1.21 N#CCCCc1ccsc1 Amb26336401 [0,1,0,0,1,0|2,0,0]=4 6598 B10R1.21 NCCCCc1ccco1 Amb5735488 [0,1,0,0,1,0|2,0,0]=4 6599 B10R1.21 NCCCCc1cccs1 Amb5735489 [0,1,0,0,1,0|2,0,0]=4 6600 B10R1.21 NCCCCc1ccoc1 Amb33360360 [0,1,0,0,1,0|2,0,0]=4 6601 B10R1.21 NCCCCc1ccsc1 Amb25765310 [0,1,0,0,1,0|2,0,0]=4 6602 B10R1.21 NCCCCn1cccc1 Amb5744332 [0,1,0,0,1,0|2,0,0]=4 6603 B10R1.21 NCCCOc1ccco1 Amb33360903 [0,1,0,0,1,0|2,0,0]=4 6604 B10R1.21 NCCCOc1cccs1 Amb33360620 [0,1,0,0,1,0|2,0,0]=4 6605 B10R1.21 NCCCOc1ccoc1 Amb33360332 [0,1,0,0,1,0|2,0,0]=4 6606 B10R1.21 NCCCOc1ccsc1 Amb33428868 [0,1,0,0,1,0|2,0,0]=4 6607 B10R1.21 NCCCSc1cccs1 Amb6717254 [0,1,0,0,1,0|2,0,0]=4 6608 B10R1.21 NCCNCc1ccco1 Amb17091023 [0,1,0,0,1,0|2,0,0]=4 6609 B10R1.21 NCCNCc1cccs1 Amb18523821 [0,1,0,0,1,0|2,0,0]=4 6610 B10R1.21 NCCNCc1cccs1 Amb29844482 [0,1,0,0,1,0|2,0,0]=4 6611 B10R1.21 NCCNCc1ccsc1 Amb18307074 [0,1,0,0,1,0|2,0,0]=4 6612 B10R1.21 NCCSCc1ccco1 Amb2721849 [0,1,0,0,1,0|2,0,0]=4 6613 B10R1.21 NCCSCc1cccs1 Amb431456 [0,1,0,0,1,0|2,0,0]=4 6614 B10R1.21 NCCSCc1ccsc1 Amb2371320 [0,1,0,0,1,0|2,0,0]=4 6615 B10R1.21 NCCSCc1ccsc1 Amb264593 [0,1,0,0,1,0|2,0,0]=4 6616 B10R1.21 NNCCCc1ccsc1 Amb27951249 [0,1,0,0,1,0|2,0,0]=4 6617 B10R1.21 NOCCCc1ccco1 Amb17089544 [0,1,0,0,1,0|1,0,0]=3 6618 B10R1.21 NOCCCc1cccs1 Amb17089545 [0,1,0,0,1,0|1,0,0]=3 6619 B10R1.21 NOCCCc1ccsc1 Amb33321651 [0,1,0,0,1,0|1,0,0]=3 6620 B10R1.21 NOCCCc1cnoc1 Amb27427250 [0,1,0,0,1,0|2,0,0]=4 6621 B10R1.21 NOCCCn1cccn1 Amb25912874 [0,1,0,0,1,0|2,0,0]=4 6622 B10R1.21 O=CCCCc1ccco1 Amb28050259 [0,1,0,0,1,0|1,0,1]=4 6623 B10R1.21 O=CCCCc1cccs1 Amb17089166 [0,1,0,0,1,0|1,0,1]=4 6624 B10R1.21 O=CCCCc1ccoc1 Amb25684248 [0,1,0,0,1,0|1,0,1]=4 6625 B10R1.21 O=CCCCc1ccsc1 Amb24415638 [0,1,0,0,1,0|1,0,1]=4 6626 B10R1.21 OCCC#Cn1cccc1 Amb26486449 [0,1,0,0,1,0|1,0,1]=4 6627 B10R1.21 OCCCCc1ccco1 Amb17106038 [0,1,0,0,1,0|1,0,0]=3 6628 B10R1.21 OCCCCc1cccs1 Amb9004304 [0,1,0,0,1,0|1,0,0]=3 6629 B10R1.21 OCCCCc1ccns1 Amb32950507 [0,1,0,0,1,0|2,0,0]=4 6630 B10R1.21 OCCCCc1ccsc1 Amb27475708 [0,1,0,0,1,0|1,0,0]=3 6631 B10R1.21 OCCCCc1cncs1 Amb27424864 [0,1,0,0,1,0|2,0,0]=4 6632 B10R1.21 OCCCCc1nccs1 Amb26935669 [0,1,0,0,1,0|2,0,0]=4 6633 B10R1.21 OCCCCn1cccn1 Amb9370425 [0,1,0,0,1,0|2,0,0]=4 6634 B10R1.21 OCCCCn1ccnc1 Amb33531605 [0,1,0,0,1,0|2,0,0]=4 6635 B10R1.21 OCCCSc1ccco1 Amb28065299 [0,1,0,0,1,0|1,0,0]=3 6636 B10R1.21 OCCNCc1ccco1 Amb2592326 [0,1,0,0,1,0|1,0,0]=3 6637 B10R1.21 OCCNCc1cccs1 Amb838310 [0,1,0,0,1,0|1,0,0]=3 6638 B10R1.21 OCCNCc1ccsc1 Amb13951827 [0,1,0,0,1,0|1,0,0]=3 6639 B10R1.21 OCCNCc1ccsc1 Amb2592470 [0,1,0,0,1,0|1,0,0]=3 6640 B10R1.21 OCCNCc1nccs1 Amb10607367 [0,1,0,0,1,0|2,0,0]=4 6641 B10R1.21 OCCNCc1nccs1 Amb13948968 [0,1,0,0,1,0|2,0,0]=4 6642 B10R1.21 OCCSCc1ccsc1 Amb9511217 [0,1,0,0,1,0|1,0,0]=3 6643 B10R1.21 OCCSCc1nccs1 Amb26875088 [0,1,0,0,1,0|2,0,0]=4 6644 B10R1.21 OCC\C=C\c1cccs1 Amb27197496 [0,1,0,0,1,0|1,0,1]=4 6645 B10R1.21 OCC\N=C\c1ccco1 Amb17593526 [0,1,0,0,1,0|1,0,1]=4 6646 B10R1.21 ONCCCc1ccsc1 Amb33322412 [0,1,0,0,1,0|1,0,0]=3 6647 B10R1.21 ONCCCn1cccn1 Amb32727044 [0,1,0,0,1,0|2,0,0]=4 6648 B10R1.21 SCCCCc1ccco1 Amb18563472 [0,1,0,0,1,0|1,1,0]=4 6649 B10R1.21 SCCCCc1cccs1 Amb17400373 [0,1,0,0,1,0|1,1,0]=4 6650 B10R1.21 SCCCCc1ccsc1 Amb33320211 [0,1,0,0,1,0|1,1,0]=4 6651 B10R1.21 SCCCSc1cccs1 Amb27837898 [0,1,0,0,1,0|1,1,0]=4 6652 B10R1.21 SCCNCc1ccco1 Amb18644955 [0,1,0,0,1,0|1,1,0]=4 6653 B10R1.21 SCCNCc1cccs1 Amb25691004 [0,1,0,0,1,0|1,1,0]=4 6654 B10R1.21 SCCNCc1ccsc1 Amb28316028 [0,1,0,0,1,0|1,1,0]=4 6655 B10R1.21 SCCSCc1ccco1 Amb27632177 [0,1,0,0,1,0|1,1,0]=4 6656 B10R1.21 [C-]#[N+]CCCc1ccsc1 Amb33321993 [0,1,0,0,1,0|2,0,0]=4 6657 B10R1.21 [NH3+]CCSCc1ccco1 Amb33513003 [0,1,0,0,1,0|2,0,0]=4 6658 B10R1.27 CC(CBr)Cc1ccco1 Amb26426929 [0,1,0,0,1,0|2,0,0]=4 6659 B10R1.27 CC(CBr)Cc1cccs1 Amb27838976 [0,1,0,0,1,0|2,0,0]=4 6660 B10R1.27 CC(CBr)Cc1ccoc1 Amb24413150 [0,1,0,0,1,0|2,0,0]=4 6661 B10R1.27 CC(CBr)Cc1ccsc1 Amb26331727 [0,1,0,0,1,0|2,0,0]=4 6662 B10R1.27 CC(CCl)Cc1ccco1 Amb27485269 [0,1,0,0,1,0|2,0,0]=4 6663 B10R1.27 CC(CCl)Cc1cccs1 Amb25083926 [0,1,0,0,1,0|2,0,0]=4 6664 B10R1.27 CC(CCl)Cc1ccoc1 Amb25779914 [0,1,0,0,1,0|2,0,0]=4 6665 B10R1.27 CC(CCl)Cc1ccsc1 Amb25055098 [0,1,0,0,1,0|2,0,0]=4 6666 B10R1.27 CC(CN)Cc1ccco1 Amb5743831 [0,1,0,0,1,0|2,0,0]=4 6667 B10R1.27 CC(CN)Cc1cccs1 Amb5743832 [0,1,0,0,1,0|2,0,0]=4 6668 B10R1.27 CC(CO)Cc1ccsc1 Amb27482569 [0,1,0,0,1,0|1,0,0]=3 6669 B10R1.27 CC(CO)Cc1cncs1 Amb27823187 [0,1,0,0,1,0|2,0,0]=4 6670 B10R1.27 CC(CO)Cc1cnsc1 Amb35725276 [0,1,0,0,1,0|2,0,0]=4 6671 B10R1.27 CC(CO)Cc1cscn1 Amb27834199 [0,1,0,0,1,0|2,0,0]=4 6672 B10R1.27 CC(CO)Cn1cccn1 Amb8428186 [0,1,0,0,1,0|2,0,0]=4 6673 B10R1.27 CC(CO)Nc1ccsc1 Amb27771266 [0,1,0,0,1,0|2,0,0]=4 6674 B10R1.27 CC(CO)Sc1ccsc1 Amb27970532 [0,1,0,0,1,0|2,0,0]=4 6675 B10R1.27 CC(Cc1ccsc1)NO Amb29859686 [0,1,0,0,1,0|2,0,0]=4 6676 B10R1.27 CCC(Br)Cc1cccs1 Amb28135047 [0,1,0,0,1,0|2,0,0]=4 6677 B10R1.27 CCC(Cl)Cc1cccs1 Amb17477786 [0,1,0,0,1,0|2,0,0]=4 6678 B10R1.27 CCC(N)Cc1ccco1 Amb9428897 [0,1,0,0,1,0|2,0,0]=4 6679 B10R1.27 CCC(N)Cc1cccs1 Amb9428900 [0,1,0,0,1,0|2,0,0]=4 6680 B10R1.27 CCC(N)Cc1ccoc1 Amb27185799 [0,1,0,0,1,0|2,0,0]=4 6681 B10R1.27 CCC(N)Cn1cccc1 Amb27601295 [0,1,0,0,1,0|2,0,0]=4 6682 B10R1.27 CCC(O)Cc1cccs1 Amb17477783 [0,1,0,0,1,0|2,0,0]=4 6683 B10R1.27 CCC(O)Cc1ccoc1 Amb28282163 [0,1,0,0,1,0|2,0,0]=4 6684 B10R1.27 CC[C@H](N)Cc1cccs1 Amb27424883 [0,1,0,0,1,0|2,0,0]=4 6685 B10R1.27 C[C@H](CO)Cc1ccco1 Amb27839499 [0,1,0,0,1,0|1,0,0]=3 6686 B10R1.27 NC(CO)Cc1ccco1 Amb17062680 [0,1,0,0,1,0|1,0,0]=3 6687 B10R1.27 NC(CO)Cc1cccs1 Amb17062681 [0,1,0,0,1,0|1,0,0]=3 6688 B10R1.27 NC(CO)Cc1cccs1 Amb33330277 [0,1,0,0,1,0|1,0,0]=3 6689 B10R1.27 NC(CO)Cc1ccns1 Amb28055397 [0,1,0,0,1,0|2,0,0]=4 6690 B10R1.27 NC(CO)Cc1ccoc1 Amb24627260 [0,1,0,0,1,0|1,0,0]=3 6691 B10R1.27 NC(CO)Cc1ccon1 Amb33198340 [0,1,0,0,1,0|2,0,0]=4 6692 B10R1.27 NC(CO)Cc1ccsc1 Amb27413429 [0,1,0,0,1,0|1,0,0]=3 6693 B10R1.27 NC(CO)Cc1cnco1 Amb33414852 [0,1,0,0,1,0|2,0,0]=4 6694 B10R1.27 NC(CO)Cc1cncs1 Amb24104437 [0,1,0,0,1,0|2,0,0]=4 6695 B10R1.27 NC(CO)Cc1cncs1 Amb32663827 [0,1,0,0,1,0|2,0,0]=4 6696 B10R1.27 NC(CO)Cc1cscn1 Amb24697508 [0,1,0,0,1,0|2,0,0]=4 6697 B10R1.27 NC(CO)Cc1nccs1 Amb25684115 [0,1,0,0,1,0|2,0,0]=4 6698 B10R1.27 NC(CO)Cc1nccs1 Amb32795064 [0,1,0,0,1,0|2,0,0]=4 6699 B10R1.27 NC(CO)Cn1cccn1 Amb28143758 [0,1,0,0,1,0|2,0,0]=4 6700 B10R1.27 NC(CO)Cn1ccnc1 Amb27799379 [0,1,0,0,1,0|2,0,0]=4 6701 B10R1.27 NCC(F)Cc1ccoc1 Amb27170356 [0,1,0,0,1,0|2,0,0]=4 6702 B10R1.27 NCC(O)Cc1ccco1 Amb17231928 [0,1,0,0,1,0|2,0,0]=4 6703 B10R1.27 NCC(O)Cc1cccs1 Amb17232229 [0,1,0,0,1,0|2,0,0]=4 6704 B10R1.27 NCC(O)Cc1ccoc1 Amb26867228 [0,1,0,0,1,0|2,0,0]=4 6705 B10R1.27 NCC(O)Cc1ccsc1 Amb28069875 [0,1,0,0,1,0|2,0,0]=4 6706 B10R1.27 O=C(CO)Cc1ccco1 Amb27226948 [0,1,0,0,1,0|1,0,1]=4 6707 B10R1.27 OC(CCl)Cc1cccs1 Amb17594499 [0,1,0,0,1,0|2,0,0]=4 6708 B10R1.27 OCC(O)Cc1ccon1 Amb28185197 [0,1,0,0,1,0|2,0,0]=4 6709 B10R1.27 OCC(O)Cn1cccc1 Amb25066900 [0,1,0,0,1,0|1,0,0]=3 6710 B10R1.27 OCC(O)Cn1cccn1 Amb24183806 [0,1,0,0,1,0|2,0,0]=4 6711 B10R1.27 OCC(O)Cn1ccnc1 Amb24183800 [0,1,0,0,1,0|2,0,0]=4 6712 B10R1.27 O[C@@H](CCl)Cc1cccs1 Amb28069564 [0,1,0,0,1,0|2,0,0]=4 6713 B10R1.29 BrCCCc1ccsc1Br Amb26430972 [0,1,0,0,1,0|2,0,0]=4 6714 B10R1.29 BrCCCc1sccc1Br Amb25916454 [0,1,0,0,1,0|2,0,0]=4 6715 B10R1.29 CCCCc1cccn1N Amb27838833 [0,1,0,0,1,0|2,0,0]=4 6716 B10R1.29 CCCCc1ccsc1Br Amb19958946 [0,1,0,0,1,0|2,0,0]=4 6717 B10R1.29 Cc1ccnn1CCCO Amb6888918 [0,1,0,0,1,0|2,0,0]=4 6718 B10R1.29 Cc1ccoc1CCCBr Amb33435124 [0,1,0,0,1,0|2,0,0]=4 6719 B10R1.29 Cc1ccoc1CCCN Amb26031202 [0,1,0,0,1,0|2,0,0]=4 6720 B10R1.29 Cc1ccoc1CCCO Amb33343123 [0,1,0,0,1,0|1,0,0]=3 6721 B10R1.29 Cc1ccoc1CCCS Amb33342788 [0,1,0,0,1,0|1,1,0]=4 6722 B10R1.29 Cc1ccsc1CCCBr Amb25332880 [0,1,0,0,1,0|2,0,0]=4 6723 B10R1.29 Cc1ccsc1CCCN Amb17477777 [0,1,0,0,1,0|2,0,0]=4 6724 B10R1.29 Cc1ccsc1CCCO Amb17477781 [0,1,0,0,1,0|1,0,0]=3 6725 B10R1.29 Cc1ccsc1CCCS Amb33314446 [0,1,0,0,1,0|1,1,0]=4 6726 B10R1.29 Cc1ccsc1SCCO Amb27191658 [0,1,0,0,1,0|2,0,0]=4 6727 B10R1.29 Cc1cncn1CCCO Amb27976267 [0,1,0,0,1,0|2,0,0]=4 6728 B10R1.29 Cc1cocc1CCCO Amb27800767 [0,1,0,0,1,0|1,0,0]=3 6729 B10R1.29 Cc1cscc1CCCBr Amb33436017 [0,1,0,0,1,0|2,0,0]=4 6730 B10R1.29 Cc1cscc1CCCN Amb24558433 [0,1,0,0,1,0|2,0,0]=4 6731 B10R1.29 Cc1cscc1CCCO Amb33213394 [0,1,0,0,1,0|1,0,0]=3 6732 B10R1.29 Cc1cscc1CCCS Amb33144794 [0,1,0,0,1,0|1,1,0]=4 6733 B10R1.29 Cc1nccn1CCCO Amb21959604 [0,1,0,0,1,0|2,0,0]=4 6734 B10R1.29 Cc1nccn1CCCO Amb9370411 [0,1,0,0,1,0|2,0,0]=4 6735 B10R1.29 Cc1ncsc1CCCO Amb22832090 [0,1,0,0,1,0|2,0,0]=4 6736 B10R1.29 Cc1occc1CCCBr Amb33432632 [0,1,0,0,1,0|2,0,0]=4 6737 B10R1.29 Cc1occc1CCCN Amb18832013 [0,1,0,0,1,0|2,0,0]=4 6738 B10R1.29 Cc1occc1CCCO Amb33274327 [0,1,0,0,1,0|1,0,0]=3 6739 B10R1.29 Cc1occc1CCCS Amb33274021 [0,1,0,0,1,0|1,1,0]=4 6740 B10R1.29 Cc1oncc1CCCO Amb33361130 [0,1,0,0,1,0|2,0,0]=4 6741 B10R1.29 Cc1sccc1CCCN Amb18830831 [0,1,0,0,1,0|2,0,0]=4 6742 B10R1.29 ClCCCc1ccsc1Br Amb24554079 [0,1,0,0,1,0|2,0,0]=4 6743 B10R1.29 ClCCCc1ccsc1Cl Amb26521581 [0,1,0,0,1,0|2,0,0]=4 6744 B10R1.29 ClCCCc1sccc1Br Amb25856509 [0,1,0,0,1,0|2,0,0]=4 6745 B10R1.29 ClCCCc1sccc1Cl Amb25831723 [0,1,0,0,1,0|2,0,0]=4 6746 B10R1.29 Clc1ccsc1CCCBr Amb27614975 [0,1,0,0,1,0|2,0,0]=4 6747 B10R1.29 Clc1sccc1CCCBr Amb27225039 [0,1,0,0,1,0|2,0,0]=4 6748 B10R1.29 Cn1cccc1CCCBr Amb33450489 [0,1,0,0,1,0|2,0,0]=4 6749 B10R1.29 Cn1cccc1CCCCl Amb27493163 [0,1,0,0,1,0|2,0,0]=4 6750 B10R1.29 Cn1cccc1CCCI Amb27186236 [0,1,0,0,1,0|2,0,0]=4 6751 B10R1.29 Cn1cccc1CCCN Amb18202993 [0,1,0,0,1,0|2,0,0]=4 6752 B10R1.29 Cn1cccc1CCCO Amb24446322 [0,1,0,0,1,0|1,0,0]=3 6753 B10R1.29 Cn1cccc1CCCS Amb33374258 [0,1,0,0,1,0|1,1,0]=4 6754 B10R1.29 Cn1cccc1NCCO Amb26923252 [0,1,0,0,1,0|2,0,0]=4 6755 B10R1.29 Cn1ccnc1CCCO Amb26932566 [0,1,0,0,1,0|2,0,0]=4 6756 B10R1.29 Cn1cncc1CCCO Amb27461372 [0,1,0,0,1,0|2,0,0]=4 6757 B10R1.29 Cn1nccc1CCCO Amb26951085 [0,1,0,0,1,0|2,0,0]=4 6758 B10R1.29 NCCCc1ccsc1Br Amb27773189 [0,1,0,0,1,0|2,0,0]=4 6759 B10R1.29 NCCCc1ccsc1Cl Amb27392483 [0,1,0,0,1,0|2,0,0]=4 6760 B10R1.29 NCCCc1cscc1Br Amb28183085 [0,1,0,0,1,0|2,0,0]=4 6761 B10R1.29 NCCCc1sccc1Br Amb18301839 [0,1,0,0,1,0|2,0,0]=4 6762 B10R1.29 NCCCc1sccc1Cl Amb27413792 [0,1,0,0,1,0|2,0,0]=4 6763 B10R1.29 NCCCn1cccc1Cl Amb28071658 [0,1,0,0,1,0|2,0,0]=4 6764 B10R1.29 Nc1ccnn1CCCO Amb24524512 [0,1,0,0,1,0|2,0,0]=4 6765 B10R1.29 Nc1nccn1CCCO Amb33165745 [0,1,0,0,1,0|2,0,0]=4 6766 B10R1.29 O=C1SC=CN1CCCO Amb28206338 [0,1,0,0,1,0|2,0,0]=4 6767 B10R1.29 OCCCc1ccsc1Br Amb25187302 [0,1,0,0,1,0|1,0,0]=3 6768 B10R1.29 OCCCc1ccsc1Cl Amb25772720 [0,1,0,0,1,0|1,0,0]=3 6769 B10R1.29 OCCCc1sccc1Br Amb24495718 [0,1,0,0,1,0|1,0,0]=3 6770 B10R1.29 OCCCc1sccc1Cl Amb27595656 [0,1,0,0,1,0|1,0,0]=3 6771 B10R1.29 OCCCc1scnc1Cl Amb32945035 [0,1,0,0,1,0|2,0,0]=4 6772 B10R1.29 OCCCc1sncc1Br Amb32950803 [0,1,0,0,1,0|2,0,0]=4 6773 B10R1.29 SCCCc1sccc1Br Amb33387985 [0,1,0,0,1,0|1,1,0]=4 6774 B10R1.29 SCCCc1sccc1Cl Amb33258005 [0,1,0,0,1,0|1,1,0]=4 6775 B10R1.66 CC(Br)CCc1ccsc1 Amb27762109 [0,1,0,0,1,0|2,0,0]=4 6776 B10R1.66 CC(N)CCc1ccco1 Amb9703511 [0,1,0,0,1,0|2,0,0]=4 6777 B10R1.66 CC(N)CCc1cccs1 Amb5740104 [0,1,0,0,1,0|2,0,0]=4 6778 B10R1.66 CC(N)CCc1ccoc1 Amb27639899 [0,1,0,0,1,0|2,0,0]=4 6779 B10R1.66 CC(N)CCc1ccsc1 Amb9511190 [0,1,0,0,1,0|2,0,0]=4 6780 B10R1.66 CC(O)CC=C1C=CC=C1 Amb28197408 [0,1,0,0,1,0|0,0,1]=3 6781 B10R1.66 CC(O)CCc1ccco1 Amb9358376 [0,1,0,0,1,0|1,0,0]=3 6782 B10R1.66 CC(O)CCc1cccs1 Amb17507262 [0,1,0,0,1,0|1,0,0]=3 6783 B10R1.66 CC(O)CCc1ccoc1 Amb25766119 [0,1,0,0,1,0|1,0,0]=3 6784 B10R1.66 CC(O)CCc1ccon1 Amb33198308 [0,1,0,0,1,0|2,0,0]=4 6785 B10R1.66 CC(O)CCc1ccsc1 Amb18799744 [0,1,0,0,1,0|1,0,0]=3 6786 B10R1.66 CC(O)CCc1ccsn1 Amb27810501 [0,1,0,0,1,0|2,0,0]=4 6787 B10R1.66 CC(O)CCc1cnco1 Amb33414823 [0,1,0,0,1,0|2,0,0]=4 6788 B10R1.66 CC(O)CCc1cncs1 Amb25700591 [0,1,0,0,1,0|2,0,0]=4 6789 B10R1.66 CC(O)CCc1cnsc1 Amb35725278 [0,1,0,0,1,0|2,0,0]=4 6790 B10R1.66 CC(O)CCc1cscn1 Amb24701386 [0,1,0,0,1,0|2,0,0]=4 6791 B10R1.66 CC(O)CCc1nccs1 Amb27837795 [0,1,0,0,1,0|2,0,0]=4 6792 B10R1.66 CC(O)CCn1cccn1 Amb24271123 [0,1,0,0,1,0|2,0,0]=4 6793 B10R1.66 CC(O)CCn1ccnc1 Amb27465864 [0,1,0,0,1,0|2,0,0]=4 6794 B10R1.66 CC(S)CCc1ccco1 Amb32788128 [0,1,0,0,1,0|1,1,0]=4 6795 B10R1.66 C[C@@H](N)CCc1ccco1 Amb33360959 [0,1,0,0,1,0|2,0,0]=4 6796 B10R1.66 C[C@@H](N)CCc1cccs1 Amb33360885 [0,1,0,0,1,0|2,0,0]=4 6797 B10R1.66 C[C@@H](N)CCc1ccoc1 Amb33360609 [0,1,0,0,1,0|2,0,0]=4 6798 B10R1.66 C[C@@H](N)CCc1ccsc1 Amb33428924 [0,1,0,0,1,0|2,0,0]=4 6799 B10R1.66 C[C@@H](O)CCc1ccco1 Amb27763861 [0,1,0,0,1,0|1,0,0]=3 6800 B10R1.66 C[C@@H](O)CCc1cccs1 Amb33360886 [0,1,0,0,1,0|1,0,0]=3 6801 B10R1.66 C[C@@H](O)CCc1ccoc1 Amb33360610 [0,1,0,0,1,0|1,0,0]=3 6802 B10R1.66 C[C@@H](O)CCc1ccon1 Amb33198306 [0,1,0,0,1,0|2,0,0]=4 6803 B10R1.66 C[C@@H](O)CCc1ccsc1 Amb33428925 [0,1,0,0,1,0|1,0,0]=3 6804 B10R1.66 C[C@@H](O)CCc1cnco1 Amb33414821 [0,1,0,0,1,0|2,0,0]=4 6805 B10R1.66 C[C@@H](O)CCc1cncs1 Amb33269146 [0,1,0,0,1,0|2,0,0]=4 6806 B10R1.66 C[C@@H](O)CCc1cscn1 Amb33418180 [0,1,0,0,1,0|2,0,0]=4 6807 B10R1.66 C[C@@H](O)CCc1nccs1 Amb33311512 [0,1,0,0,1,0|2,0,0]=4 6808 B10R1.66 C[C@@H](O)CCn1cccn1 Amb32727145 [0,1,0,0,1,0|2,0,0]=4 6809 B10R1.66 C[C@H](N)CCc1ccco1 Amb33360958 [0,1,0,0,1,0|2,0,0]=4 6810 B10R1.66 C[C@H](N)CCc1cccs1 Amb33360884 [0,1,0,0,1,0|2,0,0]=4 6811 B10R1.66 C[C@H](N)CCc1ccoc1 Amb33360608 [0,1,0,0,1,0|2,0,0]=4 6812 B10R1.66 C[C@H](N)CCc1ccsc1 Amb33428891 [0,1,0,0,1,0|2,0,0]=4 6813 B10R1.66 C[C@H](O)CCc1ccco1 Amb28321432 [0,1,0,0,1,0|1,0,0]=3 6814 B10R1.66 C[C@H](O)CCc1cccs1 Amb33360887 [0,1,0,0,1,0|1,0,0]=3 6815 B10R1.66 C[C@H](O)CCc1ccoc1 Amb33360611 [0,1,0,0,1,0|1,0,0]=3 6816 B10R1.66 C[C@H](O)CCc1ccon1 Amb33198307 [0,1,0,0,1,0|2,0,0]=4 6817 B10R1.66 C[C@H](O)CCc1ccsc1 Amb33428926 [0,1,0,0,1,0|1,0,0]=3 6818 B10R1.66 C[C@H](O)CCc1cnco1 Amb33414822 [0,1,0,0,1,0|2,0,0]=4 6819 B10R1.66 C[C@H](O)CCc1cncs1 Amb33225052 [0,1,0,0,1,0|2,0,0]=4 6820 B10R1.66 C[C@H](O)CCc1cscn1 Amb33418181 [0,1,0,0,1,0|2,0,0]=4 6821 B10R1.66 C[C@H](O)CCc1nccs1 Amb33312078 [0,1,0,0,1,0|2,0,0]=4 6822 B10R1.66 C[C@H](O)CCn1cccn1 Amb32727143 [0,1,0,0,1,0|2,0,0]=4 6823 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [0,1,0,0,1,0|1,0,1]=4 6824 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [0,1,0,0,1,0|1,0,1]=4 6825 B10R1.66 O=C(O)CCc1ccoc1 Amb18643489 [0,1,0,0,1,0|1,0,1]=4 6826 B10R1.66 O=C(O)CCc1ccsc1 Amb1153814 [0,1,0,0,1,0|1,0,1]=4 6827 B10R1.66 O=C(O)CCn1cccc1 Amb1130611 [0,1,0,0,1,0|1,0,1]=4 6828 B12R1.18 CCCCC1C=CC=CCC1=O Amb27177858 [0,1,0,0,0,1|1,0,1]=4 6829 B12R1.18 NCCNC1=CC=CC=CC1=O Amb27191827 [0,1,0,0,0,1|2,0,0]=4 6830 B12R1.18 O=C1C=CC=CC=C1SCCO Amb27853198 [0,1,0,0,0,1|1,0,0]=3 6831 B12R1.1 BrCCCCc1ccc(Br)cc1 Amb33801561 [0,2,0,0,0,0|1,0,0]=3 6832 B12R1.1 BrCCCOc1ccc(Br)cc1 Amb9209723 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.1 BrCC\C=C\c1ccc(Br)cc1 Amb17175754 [0,2,0,0,0,0|1,0,1]=4 6834 B12R1.1 Brc1ccc(CCCCI)cc1 Amb34914019 [0,2,0,0,0,0|1,0,0]=3 6835 B12R1.1 C#CCCCc1ccc(Br)cc1 Amb33332210 [0,2,0,0,0,0|1,0,0]=3 6836 B12R1.1 C#CCCCc1ccc(Cl)cc1 Amb27967094 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.1 C#CCCCc1ccc(F)cc1 Amb27178486 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.1 C#CCCNc1ccc(Br)cc1 Amb27426594 [0,2,0,0,0,0|1,0,1]=4 6839 B12R1.1 C#CCCNc1ccc(C)cc1 Amb27229825 [0,2,0,0,0,0|1,0,1]=4 6840 B12R1.1 C#CCCOc1ccc(C)cc1 Amb27766777 [0,2,0,0,0,0|1,0,1]=4 6841 B12R1.1 C#CCNCc1ccc(Br)cc1 Amb21969141 [0,2,0,0,0,0|1,0,1]=4 6842 B12R1.1 C#CCNCc1ccc(Br)cc1 Amb6683533 [0,2,0,0,0,0|1,0,1]=4 6843 B12R1.1 C#CCNCc1ccc(C)cc1 Amb5262677 [0,2,0,0,0,0|1,0,1]=4 6844 B12R1.1 C#CCNCc1ccc(C)cc1 Amb6868393 [0,2,0,0,0,0|1,0,1]=4 6845 B12R1.1 C#CCNCc1ccc(Cl)cc1 Amb21979448 [0,2,0,0,0,0|1,0,1]=4 6846 B12R1.1 C#CCNCc1ccc(Cl)cc1 Amb6683534 [0,2,0,0,0,0|1,0,1]=4 6847 B12R1.1 C#CCNCc1ccc(F)cc1 Amb13951349 [0,2,0,0,0,0|1,0,1]=4 6848 B12R1.1 C#CCNCc1ccc(F)cc1 Amb5262816 [0,2,0,0,0,0|1,0,1]=4 6849 B12R1.1 C#CCSCc1ccc(Cl)cc1 Amb27796127 [0,2,0,0,0,0|1,0,1]=4 6850 B12R1.1 C#CCSCc1ccc(F)cc1 Amb27178650 [0,2,0,0,0,0|1,0,1]=4 6851 B12R1.1 C#CCSCc1ccc(N)cc1 Amb17499003 [0,2,0,0,0,0|1,0,1]=4 6852 B12R1.1 C=CCCCc1ccc(Br)cc1 Amb33456175 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.1 C=CCCOc1ccc(Br)cc1 Amb33069058 [0,2,0,0,0,0|1,0,1]=4 6854 B12R1.1 C=CCCOc1ccc(Cl)cc1 Amb32664342 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.1 C=CCCOc1ccc(N)cc1 Amb24102791 [0,2,0,0,0,0|1,0,1]=4 6856 B12R1.1 C=CCCOc1ccc(O)cc1 Amb32410854 [0,2,0,0,0,0|1,0,1]=4 6857 B12R1.1 C=CCNCc1ccc(Br)cc1 Amb1923349 [0,2,0,0,0,0|1,0,1]=4 6858 B12R1.1 C=CCNCc1ccc(Br)cc1 Amb6864767 [0,2,0,0,0,0|1,0,1]=4 6859 B12R1.1 C=CCNCc1ccc(C)cc1 Amb6683787 [0,2,0,0,0,0|1,0,1]=4 6860 B12R1.1 C=CCNCc1ccc(C)cc1 Amb6864765 [0,2,0,0,0,0|1,0,1]=4 6861 B12R1.1 C=CCNCc1ccc(Cl)cc1 Amb1923348 [0,2,0,0,0,0|1,0,1]=4 6862 B12R1.1 C=CCNCc1ccc(Cl)cc1 Amb6864766 [0,2,0,0,0,0|1,0,1]=4 6863 B12R1.1 C=CCNCc1ccc(F)cc1 Amb6683771 [0,2,0,0,0,0|1,0,1]=4 6864 B12R1.1 C=CCNCc1ccc(F)cc1 Amb6864768 [0,2,0,0,0,0|1,0,1]=4 6865 B12R1.1 C=CCNCc1ccc(O)cc1 Amb19890782 [0,2,0,0,0,0|1,0,1]=4 6866 B12R1.1 C=CCNCc1ccc(O)cc1 Amb6683767 [0,2,0,0,0,0|1,0,1]=4 6867 B12R1.1 C=CCSCc1ccc(N)cc1 Amb17498006 [0,2,0,0,0,0|1,0,1]=4 6868 B12R1.1 C=NCCNc1ccc(C)cc1 Amb27453488 [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.1 C=NCCNc1ccc(Cl)cc1 Amb27865458 [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.1 CCCC#Cc1ccc(C)cc1 Amb27494779 [0,2,0,0,0,0|1,0,1]=4 6871 B12R1.1 CCCC#Cc1ccc(Cl)cc1 Amb25936619 [0,2,0,0,0,0|1,0,1]=4 6872 B12R1.1 CCCC#Cc1ccc(F)cc1 Amb25977681 [0,2,0,0,0,0|1,0,1]=4 6873 B12R1.1 CCCC#Cc1ccc(I)cc1 Amb27248571 [0,2,0,0,0,0|1,0,1]=4 6874 B12R1.1 CCCC#Cc1ccc(N)cc1 Amb28196347 [0,2,0,0,0,0|1,0,1]=4 6875 B12R1.1 CCCC#Cc1ccc(O)cc1 Amb25282857 [0,2,0,0,0,0|1,0,1]=4 6876 B12R1.1 CCCCCc1ccc(Br)cc1 Amb2413171 [0,2,0,0,0,0|1,0,0]=3 6877 B12R1.1 CCCCCc1ccc(Cl)cc1 Amb2686308 [0,2,0,0,0,0|1,0,0]=3 6878 B12R1.1 CCCCCc1ccc(F)cc1 Amb2688281 [0,2,0,0,0,0|1,0,0]=3 6879 B12R1.1 CCCCCc1ccc(I)cc1 Amb2688867 [0,2,0,0,0,0|1,0,0]=3 6880 B12R1.1 CCCCCc1ccc(O)cc1 Amb2690078 [0,2,0,0,0,0|1,0,0]=3 6881 B12R1.1 CCCCNc1cc[n+]([O-])cc1 Amb28283583 [0,2,0,0,0,0|2,0,0]=4 6882 B12R1.1 CCCCNc1ccc(Br)cc1 Amb4313695 [0,2,0,0,0,0|1,0,0]=3 6883 B12R1.1 CCCCNc1ccc(Br)cn1 Amb6646798 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.1 CCCCNc1ccc(Br)nc1 Amb27832111 [0,2,0,0,0,0|2,0,0]=4 6885 B12R1.1 CCCCNc1ccc(C)cc1 Amb4313688 [0,2,0,0,0,0|1,0,0]=3 6886 B12R1.1 CCCCNc1ccc(Cl)cc1 Amb4313690 [0,2,0,0,0,0|1,0,0]=3 6887 B12R1.1 CCCCNc1ccc(Cl)nc1 Amb27175961 [0,2,0,0,0,0|2,0,0]=4 6888 B12R1.1 CCCCNc1ccc(F)cc1 Amb4313696 [0,2,0,0,0,0|1,0,0]=3 6889 B12R1.1 CCCCNc1ccc(I)cc1 Amb7759888 [0,2,0,0,0,0|1,0,0]=3 6890 B12R1.1 CCCCNc1ccc(N)cn1 Amb9205254 [0,2,0,0,0,0|2,0,0]=4 6891 B12R1.1 CCCCNc1ccc(N)nc1 Amb7767728 [0,2,0,0,0,0|2,0,0]=4 6892 B12R1.1 CCCCNc1ccc(O)cc1 Amb9608868 [0,2,0,0,0,0|1,0,0]=3 6893 B12R1.1 CCCCOc1ccc(Br)cc1 Amb2721157 [0,2,0,0,0,0|1,0,0]=3 6894 B12R1.1 CCCCOc1ccc(Br)cn1 Amb20242025 [0,2,0,0,0,0|2,0,0]=4 6895 B12R1.1 CCCCOc1ccc(Br)nc1 Amb33719147 [0,2,0,0,0,0|2,0,0]=4 6896 B12R1.1 CCCCOc1ccc(Cl)cc1 Amb9787615 [0,2,0,0,0,0|1,0,0]=3 6897 B12R1.1 CCCCOc1ccc(Cl)nc1 Amb32670792 [0,2,0,0,0,0|2,0,0]=4 6898 B12R1.1 CCCCOc1ccc(F)nc1 Amb32658400 [0,2,0,0,0,0|2,0,0]=4 6899 B12R1.1 CCCCOc1ccc(I)cc1 Amb19929171 [0,2,0,0,0,0|1,0,0]=3 6900 B12R1.1 CCCCOc1ccc(N)cc1 Amb1127017 [0,2,0,0,0,0|1,0,0]=3 6901 B12R1.1 CCCCOc1ccc(N)cn1 Amb33526924 [0,2,0,0,0,0|2,0,0]=4 6902 B12R1.1 CCCCOc1ccc(N)cn1 Amb4017541 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.1 CCCCOc1ccc(N)nc1 Amb8895013 [0,2,0,0,0,0|2,0,0]=4 6904 B12R1.1 CCCCOc1ccc(O)cc1 Amb3939308 [0,2,0,0,0,0|1,0,0]=3 6905 B12R1.1 CCCCSc1ccc(Br)cc1 Amb22227904 [0,2,0,0,0,0|1,0,0]=3 6906 B12R1.1 CCCCSc1ccc(N)cc1 Amb6543486 [0,2,0,0,0,0|1,0,0]=3 6907 B12R1.1 CCCCSc1ccc(N)cn1 Amb8932394 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.1 CCCNCc1ccc(Br)cc1 Amb19890387 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.1 CCCNCc1ccc(Br)cc1 Amb837679 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.1 CCCNCc1ccc(C)cc1 Amb1215690 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.1 CCCNCc1ccc(C)cc1 Amb19890384 [0,2,0,0,0,0|1,0,0]=3 6912 B12R1.1 CCCNCc1ccc(Cl)cc1 Amb10782093 [0,2,0,0,0,0|1,0,0]=3 6913 B12R1.1 CCCNCc1ccc(Cl)cc1 Amb838374 [0,2,0,0,0,0|1,0,0]=3 6914 B12R1.1 CCCNCc1ccc(Cl)nc1 Amb21988426 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.1 CCCNCc1ccc(F)cc1 Amb6864724 [0,2,0,0,0,0|1,0,0]=3 6916 B12R1.1 CCCNCc1ccc(F)cc1 Amb838017 [0,2,0,0,0,0|1,0,0]=3 6917 B12R1.1 CCCNCc1ccc(O)cc1 Amb2445168 [0,2,0,0,0,0|1,0,0]=3 6918 B12R1.1 CCCNCc1ccc(O)cc1 Amb6264703 [0,2,0,0,0,0|1,0,0]=3 6919 B12R1.1 CCCSCc1ccc(N)cc1 Amb6680628 [0,2,0,0,0,0|1,0,0]=3 6920 B12R1.1 CCC\C=C\c1ccc(Cl)cc1 Amb10566844 [0,2,0,0,0,0|1,0,1]=4 6921 B12R1.1 CCC\C=C\c1ccc(N)cc1 Amb27644670 [0,2,0,0,0,0|1,0,1]=4 6922 B12R1.1 CCC\N=C/c1ccc(F)cc1 Amb27598073 [0,2,0,0,0,0|1,0,1]=4 6923 B12R1.1 CCC\N=C\c1ccc(O)cc1 Amb2445167 [0,2,0,0,0,0|1,0,1]=4 6924 B12R1.1 CCNCCc1ccc(Br)cc1 Amb9214727 [0,2,0,0,0,0|1,0,0]=3 6925 B12R1.1 CCNCCc1ccc(C)cc1 Amb8853683 [0,2,0,0,0,0|1,0,0]=3 6926 B12R1.1 CCNCCc1ccc(Cl)cc1 Amb5785546 [0,2,0,0,0,0|1,0,0]=3 6927 B12R1.1 CCNCCc1ccc(F)cc1 Amb5785549 [0,2,0,0,0,0|1,0,0]=3 6928 B12R1.1 CCNCCc1ccc(O)cc1 Amb15694900 [0,2,0,0,0,0|1,0,0]=3 6929 B12R1.1 CCONCc1ccc(F)cc1 Amb32412844 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.1 CNCCCc1ccc(Br)cc1 Amb17104523 [0,2,0,0,0,0|1,0,0]=3 6931 B12R1.1 CNCCCc1ccc(C)cc1 Amb17104501 [0,2,0,0,0,0|1,0,0]=3 6932 B12R1.1 CNCCCc1ccc(Cl)cc1 Amb17104509 [0,2,0,0,0,0|1,0,0]=3 6933 B12R1.1 CNCCCc1ccc(F)cc1 Amb17104503 [0,2,0,0,0,0|1,0,0]=3 6934 B12R1.1 CNCCOc1ccc(Br)cc1 Amb22166 [0,2,0,0,0,0|2,0,0]=4 6935 B12R1.1 CNCCOc1ccc(C)cc1 Amb1670236 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.1 CNCCOc1ccc(C)cc1 Amb2140580 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.1 CNCCOc1ccc(Cl)cc1 Amb397806 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.1 CNCCOc1ccc(F)cc1 Amb1156338 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.1 CNCCOc1ccc(F)cc1 Amb2094492 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.1 CNCCOc1ccc(N)cc1 Amb17232615 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.1 CNCCOc1ccc(N)cc1 Amb34912651 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.1 CNCCOc1ccc(O)cc1 Amb19507657 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.1 CNCCOc1ccc(O)cc1 Amb32789481 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.1 CNCCSc1ccc(C)cc1 Amb10608765 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.1 CNCCSc1ccc(C)cc1 Amb19892872 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.1 CNCCSc1ccc(Cl)cc1 Amb19024601 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.1 CNCCSc1ccc(Cl)cc1 Amb32662273 [0,2,0,0,0,0|2,0,0]=4 6948 B12R1.1 CNCCSc1ccc(F)cc1 Amb19024603 [0,2,0,0,0,0|2,0,0]=4 6949 B12R1.1 CNCCSc1ccc(F)cc1 Amb32662297 [0,2,0,0,0,0|2,0,0]=4 6950 B12R1.1 COCC#Cc1ccc(Br)cc1 Amb26470895 [0,2,0,0,0,0|0,0,2]=4 6951 B12R1.1 COCC#Cc1ccc(C)cc1 Amb27405766 [0,2,0,0,0,0|0,0,2]=4 6952 B12R1.1 COCC#Cc1ccc(Cl)cc1 Amb25898242 [0,2,0,0,0,0|0,0,2]=4 6953 B12R1.1 COCC#Cc1ccc(F)cc1 Amb25830550 [0,2,0,0,0,0|0,0,2]=4 6954 B12R1.1 COCC#Cc1ccc(I)cc1 Amb26519059 [0,2,0,0,0,0|0,0,2]=4 6955 B12R1.1 COCC#Cc1ccc(N)cc1 Amb27174432 [0,2,0,0,0,0|0,0,2]=4 6956 B12R1.1 COCC#Cc1ccc(O)cc1 Amb26325645 [0,2,0,0,0,0|0,0,2]=4 6957 B12R1.1 COCCNC1=CNC(=O)C=C1 Amb27792823 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.1 COCCNc1ccc(Br)cc1 Amb6712196 [0,2,0,0,0,0|1,0,0]=3 6959 B12R1.1 COCCNc1ccc(Br)cn1 Amb6648928 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.1 COCCNc1ccc(C)cc1 Amb6714070 [0,2,0,0,0,0|1,0,0]=3 6961 B12R1.1 COCCNc1ccc(C)cn1 Amb6614124 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.1 COCCNc1ccc(Cl)cc1 Amb6711958 [0,2,0,0,0,0|1,0,0]=3 6963 B12R1.1 COCCNc1ccc(F)cc1 Amb6712307 [0,2,0,0,0,0|1,0,0]=3 6964 B12R1.1 COCCNc1ccc(F)cn1 Amb18306369 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.1 COCCNc1ccc(F)nc1 Amb27187436 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.1 COCCNc1ccc(N)cc1 Amb10610074 [0,2,0,0,0,0|1,0,0]=3 6967 B12R1.1 COCCNc1ccc(N)cc1 Amb9205203 [0,2,0,0,0,0|1,0,0]=3 6968 B12R1.1 COCCNc1ccc(N)cn1 Amb33536610 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.1 COCCNc1ccc(N)nc1 Amb7767470 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.1 COCCOc1ccc(Br)cc1 Amb6260186 [0,2,0,0,0,0|1,0,0]=3 6971 B12R1.1 COCCOc1ccc(Br)cn1 Amb19349908 [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.1 COCCOc1ccc(Br)nc1 Amb33972578 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.1 COCCOc1ccc(F)cc1 Amb33546390 [0,2,0,0,0,0|1,0,0]=3 6974 B12R1.1 COCCOc1ccc(F)cn1 Amb19959844 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.1 COCCOc1ccc(F)nc1 Amb32412905 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.1 COCCOc1ccc(I)cc1 Amb32411259 [0,2,0,0,0,0|1,0,0]=3 6977 B12R1.1 COCCOc1ccc(N)cc1 Amb1995318 [0,2,0,0,0,0|1,0,0]=3 6978 B12R1.1 COCCOc1ccc(N)cc1 Amb2189147 [0,2,0,0,0,0|1,0,0]=3 6979 B12R1.1 COCCOc1ccc(N)cn1 Amb6249562 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.1 COCCOc1ccc(N)nc1 Amb6679924 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.1 COCCOc1ccc(O)cc1 Amb8837237 [0,2,0,0,0,0|1,0,0]=3 6982 B12R1.1 COCCOc1ccc(S)cc1 Amb28963355 [0,2,0,0,0,0|1,0,0]=3 6983 B12R1.1 COCCSc1ccc(N)cc1 Amb8930279 [0,2,0,0,0,0|1,0,0]=3 6984 B12R1.1 COCOCc1ccc(F)cc1 Amb28464086 [0,2,0,0,0,0|1,0,0]=3 6985 B12R1.1 COCOCc1ccc(N)cc1 Amb33547965 [0,2,0,0,0,0|1,0,0]=3 6986 B12R1.1 COCSCc1ccc(N)cc1 Amb17498310 [0,2,0,0,0,0|1,0,0]=3 6987 B12R1.1 CSCCNc1ccc(F)cc1 Amb18312643 [0,2,0,0,0,0|1,1,0]=4 6988 B12R1.1 CSCCNc1ccc(I)cc1 Amb27245585 [0,2,0,0,0,0|1,1,0]=4 6989 B12R1.1 CSCCNc1ccc(N)cc1 Amb27233343 [0,2,0,0,0,0|1,1,0]=4 6990 B12R1.1 CSCCOc1ccc(Br)cc1 Amb32414282 [0,2,0,0,0,0|1,1,0]=4 6991 B12R1.1 CSCCOc1ccc(N)cc1 Amb17504112 [0,2,0,0,0,0|1,1,0]=4 6992 B12R1.1 Cc1ccc(C#CCCCl)cc1 Amb18796083 [0,2,0,0,0,0|1,0,1]=4 6993 B12R1.1 Cc1ccc(C#CCCO)cc1 Amb18792225 [0,2,0,0,0,0|0,0,1]=3 6994 B12R1.1 Cc1ccc(C#CCCO)cn1 Amb28288814 [0,2,0,0,0,0|1,0,1]=4 6995 B12R1.1 Cc1ccc(CCCC#N)cc1 Amb17232302 [0,2,0,0,0,0|1,0,0]=3 6996 B12R1.1 Cc1ccc(CCCC=O)cc1 Amb17089167 [0,2,0,0,0,0|0,0,1]=3 6997 B12R1.1 Cc1ccc(CCCC=O)cn1 Amb32877417 [0,2,0,0,0,0|1,0,1]=4 6998 B12R1.1 Cc1ccc(CCCC=O)nc1 Amb33358264 [0,2,0,0,0,0|1,0,1]=4 6999 B12R1.1 Cc1ccc(CCCCBr)cc1 Amb34914027 [0,2,0,0,0,0|1,0,0]=3 7000 B12R1.1 Cc1ccc(CCCCCl)cc1 Amb17139047 [0,2,0,0,0,0|1,0,0]=3 7001 B12R1.1 Cc1ccc(CCCCI)cc1 Amb34914017 [0,2,0,0,0,0|1,0,0]=3 7002 B12R1.1 Cc1ccc(CCCCN)cc1 Amb5735494 [0,2,0,0,0,0|1,0,0]=3 7003 B12R1.1 Cc1ccc(CCCCN)cn1 Amb18828702 [0,2,0,0,0,0|2,0,0]=4 7004 B12R1.1 Cc1ccc(CCCCN)nc1 Amb33172517 [0,2,0,0,0,0|2,0,0]=4 7005 B12R1.1 Cc1ccc(CCCCO)cc1 Amb16183285 [0,2,0,0,0,0|0,0,0]=2 7006 B12R1.1 Cc1ccc(CCCCS)cc1 Amb17400847 [0,2,0,0,0,0|0,1,0]=3 7007 B12R1.1 Cc1ccc(CCCON)cc1 Amb17089551 [0,2,0,0,0,0|0,0,0]=2 7008 B12R1.1 Cc1ccc(CCN=C=O)cc1 Amb17089349 [0,2,0,0,0,0|0,0,2]=4 7009 B12R1.1 Cc1ccc(CCN=C=S)cc1 Amb2689594 [0,2,0,0,0,0|0,1,1]=4 7010 B12R1.1 Cc1ccc(CCN=[N+]=[N-])cc1 Amb33318511 [0,2,0,0,0,0|2,0,0]=4 7011 B12R1.1 Cc1ccc(CNCC#N)cc1 Amb6713684 [0,2,0,0,0,0|1,0,1]=4 7012 B12R1.1 Cc1ccc(CNCCCl)cc1 Amb17335658 [0,2,0,0,0,0|1,0,0]=3 7013 B12R1.1 Cc1ccc(CNCCN)cc1 Amb9174051 [0,2,0,0,0,0|1,0,0]=3 7014 B12R1.1 Cc1ccc(CNCCO)cc1 Amb6864509 [0,2,0,0,0,0|0,0,0]=2 7015 B12R1.1 Cc1ccc(CNCCO)cc1 Amb838343 [0,2,0,0,0,0|0,0,0]=2 7016 B12R1.1 Cc1ccc(COCCN)cc1 Amb17061816 [0,2,0,0,0,0|1,0,0]=3 7017 B12R1.1 Cc1ccc(CSCC#N)cc1 Amb17501722 [0,2,0,0,0,0|1,0,1]=4 7018 B12R1.1 Cc1ccc(CSCCCl)cc1 Amb21988400 [0,2,0,0,0,0|1,0,0]=3 7019 B12R1.1 Cc1ccc(CSCCN)cc1 Amb436545 [0,2,0,0,0,0|1,0,0]=3 7020 B12R1.1 Cc1ccc(CSCCO)cc1 Amb9273829 [0,2,0,0,0,0|0,0,0]=2 7021 B12R1.1 Cc1ccc(NCCC#N)cc1 Amb1643630 [0,2,0,0,0,0|1,0,1]=4 7022 B12R1.1 Cc1ccc(NCCCF)nc1 Amb28145580 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.1 Cc1ccc(NCCCN)cc1 Amb17057723 [0,2,0,0,0,0|1,0,0]=3 7024 B12R1.1 Cc1ccc(NCCCN)nc1 Amb33551693 [0,2,0,0,0,0|2,0,0]=4 7025 B12R1.1 Cc1ccc(NCCCN)nc1 Amb6268945 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.1 Cc1ccc(NCCCO)cc1 Amb17306885 [0,2,0,0,0,0|0,0,0]=2 7027 B12R1.1 Cc1ccc(OCCC#N)cc1 Amb6329691 [0,2,0,0,0,0|1,0,1]=4 7028 B12R1.1 Cc1ccc(OCCC=O)cc1 Amb5731761 [0,2,0,0,0,0|0,0,2]=4 7029 B12R1.1 Cc1ccc(OCCCBr)cc1 Amb2795768 [0,2,0,0,0,0|1,0,0]=3 7030 B12R1.1 Cc1ccc(OCCCCl)cc1 Amb6244757 [0,2,0,0,0,0|1,0,0]=3 7031 B12R1.1 Cc1ccc(OCCCN)cc1 Amb1108458 [0,2,0,0,0,0|1,0,0]=3 7032 B12R1.1 Cc1ccc(OCCCN)cc1 Amb34202383 [0,2,0,0,0,0|1,0,0]=3 7033 B12R1.1 Cc1ccc(OCCCN)cn1 Amb19024858 [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.1 Cc1ccc(OCCCN)nc1 Amb18308511 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.1 Cc1ccc(OCCCO)cc1 Amb9370515 [0,2,0,0,0,0|0,0,0]=2 7036 B12R1.1 Cc1ccc(OCCCS)cc1 Amb10813402 [0,2,0,0,0,0|0,1,0]=3 7037 B12R1.1 Cc1ccc(OCCNN)cc1 Amb1117290 [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.1 Cc1ccc(OCCNO)cc1 Amb17088416 [0,2,0,0,0,0|1,0,0]=3 7039 B12R1.1 Cc1ccc(OCCON)cc1 Amb17088290 [0,2,0,0,0,0|1,0,0]=3 7040 B12R1.1 Cc1ccc(O\C=C\CO)cc1 Amb28455048 [0,2,0,0,0,0|0,0,2]=4 7041 B12R1.1 Cc1ccc(SCCC#N)cc1 Amb1634502 [0,2,0,0,0,0|1,0,1]=4 7042 B12R1.1 Cc1ccc(SCCC=O)cc1 Amb17082944 [0,2,0,0,0,0|0,0,2]=4 7043 B12R1.1 Cc1ccc(SCCCN)cc1 Amb21984206 [0,2,0,0,0,0|1,0,0]=3 7044 B12R1.1 Cc1ccc(SCCCN)cc1 Amb6261863 [0,2,0,0,0,0|1,0,0]=3 7045 B12R1.1 Cc1ccc(\C=C\CCBr)cc1 Amb17142004 [0,2,0,0,0,0|1,0,1]=4 7046 B12R1.1 Cc1ccc(\C=C\CCCl)cc1 Amb17233776 [0,2,0,0,0,0|1,0,1]=4 7047 B12R1.1 Cc1ccc(\C=C\CCN)cc1 Amb17138533 [0,2,0,0,0,0|1,0,1]=4 7048 B12R1.1 Cc1ccc(\C=N\CCCl)cc1 Amb26371790 [0,2,0,0,0,0|1,0,1]=4 7049 B12R1.1 ClCCC#Cc1ccc(Br)cc1 Amb35656653 [0,2,0,0,0,0|1,0,1]=4 7050 B12R1.1 ClCCC#Cc1ccc(Cl)cc1 Amb18322032 [0,2,0,0,0,0|1,0,1]=4 7051 B12R1.1 ClCCCCc1ccc(Br)cc1 Amb17160233 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.1 ClCCCCc1ccc(Cl)cc1 Amb17139904 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.1 ClCCCNc1ccc(Br)cn1 Amb27457096 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.1 ClCCCOc1ccc(Br)cc1 Amb1127124 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.1 ClCCCOc1ccc(Cl)cc1 Amb1138390 [0,2,0,0,0,0|1,0,0]=3 7056 B12R1.1 ClCCCSc1ccc(Br)cc1 Amb4006803 [0,2,0,0,0,0|1,0,0]=3 7057 B12R1.1 ClCC\C=C\c1ccc(Br)cc1 Amb17258088 [0,2,0,0,0,0|1,0,1]=4 7058 B12R1.1 ClCC\C=C\c1ccc(Cl)cc1 Amb17237225 [0,2,0,0,0,0|1,0,1]=4 7059 B12R1.1 ClC\C=C\Cc1ccc(Cl)cc1 Amb27791894 [0,2,0,0,0,0|1,0,1]=4 7060 B12R1.1 Clc1ccc(CCCCBr)cc1 Amb32665821 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.1 Clc1ccc(CCCCI)cc1 Amb34914018 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.1 Clc1ccc(OCCCBr)cc1 Amb1154145 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.1 Clc1ccc(OCCCI)cc1 Amb2725683 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.1 Clc1ccc(\C=C\CCBr)cc1 Amb17159818 [0,2,0,0,0,0|1,0,1]=4 7065 B12R1.1 FCCCNc1ccc(Br)cn1 Amb27879247 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.1 FCCCNc1ccc(F)cn1 Amb28283382 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.1 Fc1ccc(C#CCCCl)cc1 Amb19057037 [0,2,0,0,0,0|1,0,1]=4 7068 B12R1.1 Fc1ccc(CCCCBr)cc1 Amb20671699 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.1 Fc1ccc(CCCCCl)cc1 Amb17139159 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.1 Fc1ccc(CCCCI)cc1 Amb34914020 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.1 Fc1ccc(CCCCS)cc1 Amb17401040 [0,2,0,0,0,0|0,1,0]=3 7072 B12R1.1 Fc1ccc(CCN=C=S)cc1 Amb6673219 [0,2,0,0,0,0|0,1,1]=4 7073 B12R1.1 Fc1ccc(CSCCCl)cc1 Amb21988508 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.1 Fc1ccc(NCCCCl)cc1 Amb28121086 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.1 Fc1ccc(OCCCBr)cc1 Amb2600502 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.1 Fc1ccc(OCCCCl)cc1 Amb1152973 [0,2,0,0,0,0|1,0,0]=3 7077 B12R1.1 Fc1ccc(OCCCS)cc1 Amb6256060 [0,2,0,0,0,0|0,1,0]=3 7078 B12R1.1 Fc1ccc(SCCCBr)cc1 Amb8828257 [0,2,0,0,0,0|1,0,0]=3 7079 B12R1.1 Fc1ccc(\C=C\CCBr)cc1 Amb17142520 [0,2,0,0,0,0|1,0,1]=4 7080 B12R1.1 Fc1ccc(\C=C\CCCl)cc1 Amb17234149 [0,2,0,0,0,0|1,0,1]=4 7081 B12R1.1 Fc1ccc(\C=C\CCS)cc1 Amb33201176 [0,2,0,0,0,0|0,1,1]=4 7082 B12R1.1 N#CCCCN1C=CC(=O)C=C1 Amb18041799 [0,2,0,0,0,0|2,0,0]=4 7083 B12R1.1 N#CCCCc1ccc(Br)cc1 Amb17246438 [0,2,0,0,0,0|1,0,0]=3 7084 B12R1.1 N#CCCCc1ccc(Cl)cc1 Amb17233649 [0,2,0,0,0,0|1,0,0]=3 7085 B12R1.1 N#CCCCc1ccc(F)cc1 Amb17232424 [0,2,0,0,0,0|1,0,0]=3 7086 B12R1.1 N#CCCCc1ccc(N)cc1 Amb18645390 [0,2,0,0,0,0|1,0,0]=3 7087 B12R1.1 N#CCCCc1ccc(O)cc1 Amb18645494 [0,2,0,0,0,0|1,0,0]=3 7088 B12R1.1 N#CCCNc1ccc(Br)cc1 Amb1149927 [0,2,0,0,0,0|1,0,1]=4 7089 B12R1.1 N#CCCNc1ccc(Cl)cc1 Amb1647287 [0,2,0,0,0,0|1,0,1]=4 7090 B12R1.1 N#CCCNc1ccc(F)cc1 Amb1103894 [0,2,0,0,0,0|1,0,1]=4 7091 B12R1.1 N#CCCNc1ccc(I)cc1 Amb9202490 [0,2,0,0,0,0|1,0,1]=4 7092 B12R1.1 N#CCCOc1ccc(Br)cc1 Amb6278733 [0,2,0,0,0,0|1,0,1]=4 7093 B12R1.1 N#CCCOc1ccc(Cl)cc1 Amb2782081 [0,2,0,0,0,0|1,0,1]=4 7094 B12R1.1 N#CCCOc1ccc(F)cc1 Amb6273641 [0,2,0,0,0,0|1,0,1]=4 7095 B12R1.1 N#CCCSc1ccc(Cl)cc1 Amb2782036 [0,2,0,0,0,0|1,0,1]=4 7096 B12R1.1 N#CCCSc1ccc(F)cc1 Amb417362 [0,2,0,0,0,0|1,0,1]=4 7097 B12R1.1 N#CCCSc1ccc(O)cc1 Amb28243804 [0,2,0,0,0,0|1,0,1]=4 7098 B12R1.1 N#CCNCc1ccc(Cl)cc1 Amb29844620 [0,2,0,0,0,0|1,0,1]=4 7099 B12R1.1 N#CCNCc1ccc(Cl)cc1 Amb6738095 [0,2,0,0,0,0|1,0,1]=4 7100 B12R1.1 N#CCNCc1ccc(F)cc1 Amb2416263 [0,2,0,0,0,0|1,0,1]=4 7101 B12R1.1 N#CCSCc1ccc(Br)cc1 Amb17501726 [0,2,0,0,0,0|1,0,1]=4 7102 B12R1.1 N#CCSCc1ccc(Cl)cc1 Amb6760938 [0,2,0,0,0,0|1,0,1]=4 7103 B12R1.1 N#CCSCc1ccc(N)cc1 Amb17498135 [0,2,0,0,0,0|1,0,1]=4 7104 B12R1.1 N#CNCCc1ccc(Br)cc1 Amb27866156 [0,2,0,0,0,0|1,0,1]=4 7105 B12R1.1 N#CNCCc1ccc(Cl)cc1 Amb18809456 [0,2,0,0,0,0|1,0,1]=4 7106 B12R1.1 NCCC#Cc1ccc(Br)cc1 Amb35605463 [0,2,0,0,0,0|1,0,1]=4 7107 B12R1.1 NCCC#Cc1ccc(Cl)cc1 Amb27642251 [0,2,0,0,0,0|1,0,1]=4 7108 B12R1.1 NCCCCN1C=CC(=O)C=C1 Amb18534870 [0,2,0,0,0,0|2,0,0]=4 7109 B12R1.1 NCCCCc1ccc(Br)cc1 Amb17195656 [0,2,0,0,0,0|1,0,0]=3 7110 B12R1.1 NCCCCc1ccc(Br)cn1 Amb33242740 [0,2,0,0,0,0|2,0,0]=4 7111 B12R1.1 NCCCCc1ccc(Br)nc1 Amb33388862 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb18015291 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.1 NCCCCc1ccc(Cl)cc1 Amb5735503 [0,2,0,0,0,0|1,0,0]=3 7114 B12R1.1 NCCCCc1ccc(Cl)cn1 Amb33221631 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.1 NCCCCc1ccc(Cl)nc1 Amb33261602 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.1 NCCCCc1ccc(F)cc1 Amb5735496 [0,2,0,0,0,0|1,0,0]=3 7117 B12R1.1 NCCCCc1ccc(F)cn1 Amb33315558 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.1 NCCCCc1ccc(F)nc1 Amb33425482 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.1 NCCCCc1ccc(I)cc1 Amb34912661 [0,2,0,0,0,0|1,0,0]=3 7120 B12R1.1 NCCCCc1ccc(O)cc1 Amb18828233 [0,2,0,0,0,0|1,0,0]=3 7121 B12R1.1 NCCCCc1ccc(O)cc1 Amb24117946 [0,2,0,0,0,0|1,0,0]=3 7122 B12R1.1 NCCCNc1ccc(Br)cc1 Amb17057730 [0,2,0,0,0,0|1,0,0]=3 7123 B12R1.1 NCCCNc1ccc(Br)cn1 Amb6263832 [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.1 NCCCNc1ccc(Cl)cc1 Amb17057729 [0,2,0,0,0,0|1,0,0]=3 7125 B12R1.1 NCCCNc1ccc(Cl)cn1 Amb6277051 [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.1 NCCCNc1ccc(F)cc1 Amb17057726 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.1 NCCCNc1ccc(F)cc1 Amb32718813 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.1 NCCCNc1ccc(F)cn1 Amb18306367 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.1 NCCCNc1ccc(N)cn1 Amb17305771 [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.1 NCCCNc1ccc(N)nc1 Amb17305770 [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.1 NCCCNc1ccc(O)cc1 Amb27792819 [0,2,0,0,0,0|1,0,0]=3 7132 B12R1.1 NCCCOc1ccc(Br)cc1 Amb6273629 [0,2,0,0,0,0|1,0,0]=3 7133 B12R1.1 NCCCOc1ccc(Br)cn1 Amb18308516 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.1 NCCCOc1ccc(Br)nc1 Amb33389184 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.1 NCCCOc1ccc(Cl)cc1 Amb2721951 [0,2,0,0,0,0|1,0,0]=3 7136 B12R1.1 NCCCOc1ccc(Cl)cc1 Amb6760502 [0,2,0,0,0,0|1,0,0]=3 7137 B12R1.1 NCCCOc1ccc(Cl)cn1 Amb19020898 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.1 NCCCOc1ccc(Cl)nc1 Amb33261720 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.1 NCCCOc1ccc(F)cc1 Amb1108272 [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.1 NCCCOc1ccc(F)cc1 Amb6760508 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.1 NCCCOc1ccc(F)cn1 Amb18308523 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.1 NCCCOc1ccc(F)nc1 Amb33425103 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.1 NCCCOc1ccc(I)nc1 Amb33447002 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.1 NCCCOc1ccc(O)cc1 Amb33171970 [0,2,0,0,0,0|1,0,0]=3 7145 B12R1.1 NCCCSc1ccc(Br)cc1 Amb8994750 [0,2,0,0,0,0|1,0,0]=3 7146 B12R1.1 NCCCSc1ccc(Cl)cc1 Amb21984207 [0,2,0,0,0,0|1,0,0]=3 7147 B12R1.1 NCCCSc1ccc(Cl)cc1 Amb6276730 [0,2,0,0,0,0|1,0,0]=3 7148 B12R1.1 NCCCSc1ccc(F)cc1 Amb162071 [0,2,0,0,0,0|1,0,0]=3 7149 B12R1.1 NCCCSc1ccc(F)cc1 Amb2370740 [0,2,0,0,0,0|1,0,0]=3 7150 B12R1.1 NCCNCc1ccc(Br)cc1 Amb19012729 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.1 NCCNCc1ccc(Cl)cc1 Amb10075508 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.1 NCCNCc1ccc(Cl)cc1 Amb29844474 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.1 NCCNCc1ccc(Cl)nc1 Amb18129568 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.1 NCCNCc1ccc(Cl)nc1 Amb35789127 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.1 NCCNCc1ccc(F)cc1 Amb10075507 [0,2,0,0,0,0|1,0,0]=3 7156 B12R1.1 NCCNCc1ccc(F)cc1 Amb29844476 [0,2,0,0,0,0|1,0,0]=3 7157 B12R1.1 NCCOCc1ccc(Br)cc1 Amb17061822 [0,2,0,0,0,0|1,0,0]=3 7158 B12R1.1 NCCOCc1ccc(Br)cc1 Amb31306656 [0,2,0,0,0,0|1,0,0]=3 7159 B12R1.1 NCCOCc1ccc(Cl)cc1 Amb6372391 [0,2,0,0,0,0|1,0,0]=3 7160 B12R1.1 NCCOCc1ccc(Cl)cc1 Amb6872147 [0,2,0,0,0,0|1,0,0]=3 7161 B12R1.1 NCCOCc1ccc(F)cc1 Amb17061819 [0,2,0,0,0,0|1,0,0]=3 7162 B12R1.1 NCCSCc1ccc(Br)cc1 Amb6271826 [0,2,0,0,0,0|1,0,0]=3 7163 B12R1.1 NCCSCc1ccc(Cl)cc1 Amb1214895 [0,2,0,0,0,0|1,0,0]=3 7164 B12R1.1 NCCSCc1ccc(Cl)cc1 Amb9677295 [0,2,0,0,0,0|1,0,0]=3 7165 B12R1.1 NCCSCc1ccc(Cl)nc1 Amb33526884 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.1 NCCSCc1ccc(F)cc1 Amb4477394 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.1 NCCSCc1ccc(F)cc1 Amb6384538 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.1 NCCSCc1ccc(I)cc1 Amb33321459 [0,2,0,0,0,0|1,0,0]=3 7169 B12R1.1 NCCSCc1ccc(N)cn1 Amb8386696 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.1 NCC\C=C\c1ccc(Br)cc1 Amb17142136 [0,2,0,0,0,0|1,0,1]=4 7171 B12R1.1 NCC\C=C\c1ccc(Br)cc1 Amb30584899 [0,2,0,0,0,0|1,0,1]=4 7172 B12R1.1 NCC\C=C\c1ccc(Cl)cc1 Amb17139018 [0,2,0,0,0,0|1,0,1]=4 7173 B12R1.1 NCC\C=C\c1ccc(F)cc1 Amb17138587 [0,2,0,0,0,0|1,0,1]=4 7174 B12R1.1 NCC\N=C\c1ccc(Cl)cc1 Amb25238653 [0,2,0,0,0,0|1,0,1]=4 7175 B12R1.1 NNCCCc1ccc(Br)cc1 Amb33332201 [0,2,0,0,0,0|1,0,0]=3 7176 B12R1.1 NNCCCc1ccc(F)cc1 Amb33319704 [0,2,0,0,0,0|1,0,0]=3 7177 B12R1.1 NNCCOc1ccc(Br)cc1 Amb17407555 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.1 NNCCOc1ccc(Cl)cc1 Amb2282443 [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.1 NNCCOc1ccc(Cl)cc1 Amb2370789 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.1 NNCCOc1ccc(F)cc1 Amb17400323 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.1 NOCC#Cc1ccc(F)cc1 Amb24661686 [0,2,0,0,0,0|0,0,2]=4 7182 B12R1.1 NOCCCc1ccc(Br)cc1 Amb17089579 [0,2,0,0,0,0|0,0,0]=2 7183 B12R1.1 NOCCCc1ccc(Cl)cc1 Amb17089560 [0,2,0,0,0,0|0,0,0]=2 7184 B12R1.1 NOCCCc1ccc(F)cc1 Amb17089553 [0,2,0,0,0,0|0,0,0]=2 7185 B12R1.1 NOCCCc1ccc(O)cc1 Amb17089576 [0,2,0,0,0,0|0,0,0]=2 7186 B12R1.1 NOCCNc1ccc(Br)cn1 Amb32413025 [0,2,0,0,0,0|2,0,0]=4 7187 B12R1.1 NOCCOc1ccc(Br)cc1 Amb17088299 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.1 NOCCOc1ccc(Cl)cc1 Amb17088296 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.1 NOCCOc1ccc(F)cc1 Amb17088293 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.1 NOC\C=C\c1ccc(F)cc1 Amb33203068 [0,2,0,0,0,0|0,0,2]=4 7191 B12R1.1 Nc1ccc(C#CCCO)cc1 Amb27790887 [0,2,0,0,0,0|0,0,1]=3 7192 B12R1.1 Nc1ccc(CCCCO)cc1 Amb18828232 [0,2,0,0,0,0|0,0,0]=2 7193 B12R1.1 Nc1ccc(CNCCO)cc1 Amb34915874 [0,2,0,0,0,0|0,0,0]=2 7194 B12R1.1 Nc1ccc(COCCO)cc1 Amb6681027 [0,2,0,0,0,0|0,0,0]=2 7195 B12R1.1 Nc1ccc(NCCCF)nc1 Amb27656343 [0,2,0,0,0,0|2,0,0]=4 7196 B12R1.1 Nc1ccc(NCCCO)cn1 Amb8997312 [0,2,0,0,0,0|1,0,0]=3 7197 B12R1.1 Nc1ccc(NCCCO)nc1 Amb8997319 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.1 Nc1ccc(OCCCBr)cc1 Amb16230364 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.1 Nc1ccc(OCCCO)cc1 Amb8842571 [0,2,0,0,0,0|0,0,0]=2 7200 B12R1.1 Nc1ccc(OCCCO)cn1 Amb8842573 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.1 Nc1ccc(OCCCO)nc1 Amb8842582 [0,2,0,0,0,0|1,0,0]=3 7202 B12R1.1 Nc1ccc(OCCCS)cc1 Amb17504082 [0,2,0,0,0,0|0,1,0]=3 7203 B12R1.1 Nc1ccc(SCCCO)cc1 Amb33528193 [0,2,0,0,0,0|0,0,0]=2 7204 B12R1.1 Nc1ccc(S\C=C/CO)cc1 Amb27876550 [0,2,0,0,0,0|0,0,2]=4 7205 B12R1.1 Nc1cnc(OCCCO)nc1 Amb19010081 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.1 O=C=NCCc1ccc(Br)cc1 Amb17089357 [0,2,0,0,0,0|0,0,2]=4 7207 B12R1.1 O=C=NCCc1ccc(Cl)cc1 Amb5750726 [0,2,0,0,0,0|0,0,2]=4 7208 B12R1.1 O=C=NCCc1ccc(F)cc1 Amb17089356 [0,2,0,0,0,0|0,0,2]=4 7209 B12R1.1 O=CCCCc1ccc(Br)cc1 Amb17089176 [0,2,0,0,0,0|0,0,1]=3 7210 B12R1.1 O=CCCCc1ccc(Br)cn1 Amb33451922 [0,2,0,0,0,0|1,0,1]=4 7211 B12R1.1 O=CCCCc1ccc(Br)nc1 Amb33388810 [0,2,0,0,0,0|1,0,1]=4 7212 B12R1.1 O=CCCCc1ccc(Cl)cc1 Amb17089175 [0,2,0,0,0,0|0,0,1]=3 7213 B12R1.1 O=CCCCc1ccc(Cl)cn1 Amb33223979 [0,2,0,0,0,0|1,0,1]=4 7214 B12R1.1 O=CCCCc1ccc(Cl)nc1 Amb33261671 [0,2,0,0,0,0|1,0,1]=4 7215 B12R1.1 O=CCCCc1ccc(F)cc1 Amb17089174 [0,2,0,0,0,0|0,0,1]=3 7216 B12R1.1 O=CCCCc1ccc(F)cn1 Amb33315255 [0,2,0,0,0,0|1,0,1]=4 7217 B12R1.1 O=CCCCc1ccc(F)nc1 Amb33425138 [0,2,0,0,0,0|1,0,1]=4 7218 B12R1.1 O=CCCCc1ccc(O)cc1 Amb33359533 [0,2,0,0,0,0|0,0,1]=3 7219 B12R1.1 O=CCCOc1ccc(Cl)cc1 Amb5731776 [0,2,0,0,0,0|0,0,2]=4 7220 B12R1.1 O=CCCOc1ccc(F)cc1 Amb5731762 [0,2,0,0,0,0|0,0,2]=4 7221 B12R1.1 O=CCCSc1ccc(Br)cc1 Amb17082947 [0,2,0,0,0,0|0,0,2]=4 7222 B12R1.1 O=CCCSc1ccc(Cl)cc1 Amb17082946 [0,2,0,0,0,0|0,0,2]=4 7223 B12R1.1 O=CCCSc1ccc(F)cc1 Amb17082945 [0,2,0,0,0,0|0,0,2]=4 7224 B12R1.1 O=CCSCc1ccc(Cl)cc1 Amb32683088 [0,2,0,0,0,0|0,0,2]=4 7225 B12R1.1 O=CNCCc1ccc(Br)cc1 Amb28366607 [0,2,0,0,0,0|0,0,2]=4 7226 B12R1.1 O=CNCCc1ccc(F)cc1 Amb27267670 [0,2,0,0,0,0|0,0,2]=4 7227 B12R1.1 O=CNCCc1ccc(O)cc1 Amb8399387 [0,2,0,0,0,0|0,0,2]=4 7228 B12R1.1 OCC=C=Cc1ccc(F)cc1 Amb27653190 [0,2,0,0,0,0|0,0,2]=4 7229 B12R1.1 OCCC#Cc1ccc(Br)cc1 Amb35626016 [0,2,0,0,0,0|0,0,1]=3 7230 B12R1.1 OCCCCc1ccc(Br)cc1 Amb17089159 [0,2,0,0,0,0|0,0,0]=2 7231 B12R1.1 OCCCCc1ccc(Cl)cc1 Amb17089158 [0,2,0,0,0,0|0,0,0]=2 7232 B12R1.1 OCCCCc1ccc(F)cc1 Amb17089157 [0,2,0,0,0,0|0,0,0]=2 7233 B12R1.1 OCCCCc1ccc(O)cc1 Amb8439668 [0,2,0,0,0,0|0,0,0]=2 7234 B12R1.1 OCCCNc1ccc(Br)cc1 Amb17306798 [0,2,0,0,0,0|0,0,0]=2 7235 B12R1.1 OCCCNc1ccc(Br)cn1 Amb6629283 [0,2,0,0,0,0|1,0,0]=3 7236 B12R1.1 OCCCNc1ccc(Cl)cc1 Amb17307252 [0,2,0,0,0,0|0,0,0]=2 7237 B12R1.1 OCCCNc1ccc(Cl)nn1 Amb843111 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.1 OCCCNc1ccc(F)cc1 Amb17306196 [0,2,0,0,0,0|0,0,0]=2 7239 B12R1.1 OCCCNc1ccc(I)cc1 Amb17306250 [0,2,0,0,0,0|0,0,0]=2 7240 B12R1.1 OCCCOc1ccc(Br)cc1 Amb9370654 [0,2,0,0,0,0|0,0,0]=2 7241 B12R1.1 OCCCOc1ccc(Br)cn1 Amb33249780 [0,2,0,0,0,0|1,0,0]=3 7242 B12R1.1 OCCCOc1ccc(Cl)cc1 Amb9248109 [0,2,0,0,0,0|0,0,0]=2 7243 B12R1.1 OCCCOc1ccc(F)cc1 Amb1109753 [0,2,0,0,0,0|0,0,0]=2 7244 B12R1.1 OCCCOc1ccc(I)cc1 Amb9247650 [0,2,0,0,0,0|0,0,0]=2 7245 B12R1.1 OCCCSc1ccc(Br)cc1 Amb9246689 [0,2,0,0,0,0|0,0,0]=2 7246 B12R1.1 OCCCSc1ccc(Cl)cc1 Amb9246615 [0,2,0,0,0,0|0,0,0]=2 7247 B12R1.1 OCCCSc1ccc(F)cc1 Amb9246741 [0,2,0,0,0,0|0,0,0]=2 7248 B12R1.1 OCCNCc1ccc(Br)cc1 Amb6857145 [0,2,0,0,0,0|0,0,0]=2 7249 B12R1.1 OCCNCc1ccc(Br)cc1 Amb8598766 [0,2,0,0,0,0|0,0,0]=2 7250 B12R1.1 OCCNCc1ccc(Br)cn1 Amb24080720 [0,2,0,0,0,0|1,0,0]=3 7251 B12R1.1 OCCNCc1ccc(Br)nc1 Amb21861807 [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.1 OCCNCc1ccc(Cl)cc1 Amb6383150 [0,2,0,0,0,0|0,0,0]=2 7253 B12R1.1 OCCNCc1ccc(Cl)cc1 Amb837738 [0,2,0,0,0,0|0,0,0]=2 7254 B12R1.1 OCCNCc1ccc(Cl)nc1 Amb21861815 [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.1 OCCNCc1ccc(Cl)nc1 Amb21988407 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.1 OCCNCc1ccc(Cl)nn1 Amb21862217 [0,2,0,0,0,0|2,0,0]=4 7257 B12R1.1 OCCNCc1ccc(F)cc1 Amb5837372 [0,2,0,0,0,0|0,0,0]=2 7258 B12R1.1 OCCNCc1ccc(F)cc1 Amb838081 [0,2,0,0,0,0|0,0,0]=2 7259 B12R1.1 OCCNCc1ccc(O)cc1 Amb7757010 [0,2,0,0,0,0|0,0,0]=2 7260 B12R1.1 OCCOCc1ccc(Cl)cc1 Amb2421036 [0,2,0,0,0,0|0,0,0]=2 7261 B12R1.1 OCCSCc1ccc(Br)cc1 Amb3568984 [0,2,0,0,0,0|0,0,0]=2 7262 B12R1.1 OCCSCc1ccc(Cl)nc1 Amb9362940 [0,2,0,0,0,0|1,0,0]=3 7263 B12R1.1 OCCSCc1ccc(F)cc1 Amb3568981 [0,2,0,0,0,0|0,0,0]=2 7264 B12R1.1 OCC\C=C\c1ccc(F)cc1 Amb24763739 [0,2,0,0,0,0|0,0,1]=3 7265 B12R1.1 OCC\N=C\c1ccc(O)cc1 Amb3354838 [0,2,0,0,0,0|0,0,1]=3 7266 B12R1.1 OC\C=C\Cc1ccc(Cl)cc1 Amb27662231 [0,2,0,0,0,0|0,0,1]=3 7267 B12R1.1 ONCCCc1ccc(Br)cc1 Amb33332152 [0,2,0,0,0,0|0,0,0]=2 7268 B12R1.1 ONCCCc1ccc(F)cc1 Amb33424314 [0,2,0,0,0,0|0,0,0]=2 7269 B12R1.1 ONCCOc1ccc(Br)cc1 Amb17088425 [0,2,0,0,0,0|1,0,0]=3 7270 B12R1.1 ONCCOc1ccc(Cl)cc1 Amb17088422 [0,2,0,0,0,0|1,0,0]=3 7271 B12R1.1 ONCCOc1ccc(F)cc1 Amb17088419 [0,2,0,0,0,0|1,0,0]=3 7272 B12R1.1 ONC\C=C\c1ccc(F)cc1 Amb33327071 [0,2,0,0,0,0|0,0,2]=4 7273 B12R1.1 Oc1ccc(CCN=C=S)cc1 Amb839664 [0,2,0,0,0,0|0,1,1]=4 7274 B12R1.1 S=C=NCCc1ccc(Br)cc1 Amb17255961 [0,2,0,0,0,0|0,1,1]=4 7275 B12R1.1 S=C=NCCc1ccc(Cl)cc1 Amb2686309 [0,2,0,0,0,0|0,1,1]=4 7276 B12R1.1 SCCCCc1ccc(Br)cc1 Amb17411242 [0,2,0,0,0,0|0,1,0]=3 7277 B12R1.1 SCCCCc1ccc(Cl)cc1 Amb17402392 [0,2,0,0,0,0|0,1,0]=3 7278 B12R1.1 SCCCOc1ccc(Br)cc1 Amb17258959 [0,2,0,0,0,0|0,1,0]=3 7279 B12R1.1 SCCCOc1ccc(Cl)cc1 Amb6663456 [0,2,0,0,0,0|0,1,0]=3 7280 B12R1.1 [C-]#[N+]CCCc1ccc(Br)cc1 Amb33332146 [0,2,0,0,0,0|1,0,0]=3 7281 B12R1.1 [C-]#[N+]CCCc1ccc(F)cc1 Amb26583428 [0,2,0,0,0,0|1,0,0]=3 7282 B12R1.1 [C-]#[N+]CCSc1ccc(Cl)cc1 Amb28400683 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.1 [C-]#[N+]CCSc1ccc(F)cc1 Amb27857303 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.1 [N-]=[N+]=NCCc1ccc(Br)cc1 Amb33430573 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.1 [N-]=[N+]=NCCc1ccc(Cl)cc1 Amb26045062 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.1 [N-]=[N+]=NCCc1ccc(F)cc1 Amb25780260 [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.1 [N-]=[N+]=NCCc1ccc(N)cc1 Amb24419918 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.1 [N-]=[N+]=NCCc1ccc(N)cc1 Amb32674745 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.1 [N-]=[N+]=NCCc1ccc(O)cc1 Amb27614500 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.16 C#CCC(C)c1ccc(F)cc1 Amb33273767 [0,2,0,0,0,0|1,0,1]=4 7291 B12R1.16 C#CCC(N)c1ccc(Br)cc1 Amb27809629 [0,2,0,0,0,0|1,0,1]=4 7292 B12R1.16 C#CCC(N)c1ccc(Cl)cc1 Amb18809277 [0,2,0,0,0,0|1,0,1]=4 7293 B12R1.16 C#CCC(N)c1ccc(I)cc1 Amb27871167 [0,2,0,0,0,0|1,0,1]=4 7294 B12R1.16 C#CCC(O)c1ccc(O)cc1 Amb18117920 [0,2,0,0,0,0|1,0,1]=4 7295 B12R1.16 C#CC[C@@H](O)c1ccc(Cl)cc1 Amb27770776 [0,2,0,0,0,0|1,0,1]=4 7296 B12R1.16 C#CC[C@H](N)c1ccc(C)cc1 Amb27486382 [0,2,0,0,0,0|1,0,1]=4 7297 B12R1.16 C=C(CCC)c1ccc(C)cc1 Amb27639357 [0,2,0,0,0,0|1,0,1]=4 7298 B12R1.16 C=C(CCN)c1ccc(Br)cc1 Amb33451499 [0,2,0,0,0,0|1,0,1]=4 7299 B12R1.16 C=C(CCN)c1ccc(C)cc1 Amb33318535 [0,2,0,0,0,0|1,0,1]=4 7300 B12R1.16 C=C(CCN)c1ccc(Cl)cc1 Amb33052824 [0,2,0,0,0,0|1,0,1]=4 7301 B12R1.16 C=C(CCN)c1ccc(F)cc1 Amb33375942 [0,2,0,0,0,0|1,0,1]=4 7302 B12R1.16 C=C(CCN)c1ccc(O)cc1 Amb33268370 [0,2,0,0,0,0|1,0,1]=4 7303 B12R1.16 C=C(CCO)c1ccc(Cl)cc1 Amb25760753 [0,2,0,0,0,0|0,0,1]=3 7304 B12R1.16 C=C(CCO)c1ccc(F)cc1 Amb27471973 [0,2,0,0,0,0|0,0,1]=3 7305 B12R1.16 C=CCC(C)c1ccc(C)cc1 Amb24556400 [0,2,0,0,0,0|1,0,1]=4 7306 B12R1.16 C=CCC(C)c1ccc(O)cc1 Amb27614507 [0,2,0,0,0,0|1,0,1]=4 7307 B12R1.16 C=CCC(N)c1ccc(F)cc1 Amb18977583 [0,2,0,0,0,0|1,0,1]=4 7308 B12R1.16 C=CCC(N)c1ccc(I)cc1 Amb27229949 [0,2,0,0,0,0|1,0,1]=4 7309 B12R1.16 C=CCC(O)c1ccc(Br)cc1 Amb2685397 [0,2,0,0,0,0|1,0,1]=4 7310 B12R1.16 C=CCC(O)c1ccc(C)cc1 Amb18177785 [0,2,0,0,0,0|1,0,1]=4 7311 B12R1.16 C=CCC(O)c1ccc(Cl)cc1 Amb2686332 [0,2,0,0,0,0|1,0,1]=4 7312 B12R1.16 C=CCC(O)c1ccc(F)cc1 Amb18788452 [0,2,0,0,0,0|1,0,1]=4 7313 B12R1.16 C=CCC(O)c1ccc(N)cc1 Amb27955305 [0,2,0,0,0,0|1,0,1]=4 7314 B12R1.16 C=CC[C@@H](N)c1ccc(Br)cc1 Amb22831742 [0,2,0,0,0,0|1,0,1]=4 7315 B12R1.16 C=CC[C@@H](N)c1ccc(C)cc1 Amb27468576 [0,2,0,0,0,0|1,0,1]=4 7316 B12R1.16 C=CC[C@@H](N)c1ccc(F)cc1 Amb23440406 [0,2,0,0,0,0|1,0,1]=4 7317 B12R1.16 C=CC[C@@H](N)c1ccc(N)cc1 Amb27468664 [0,2,0,0,0,0|1,0,1]=4 7318 B12R1.16 C=CC[C@@H](O)c1ccc(Br)cc1 Amb28457059 [0,2,0,0,0,0|1,0,1]=4 7319 B12R1.16 C=CC[C@@H](O)c1ccc(C)cc1 Amb28142668 [0,2,0,0,0,0|1,0,1]=4 7320 B12R1.16 C=CC[C@@H](O)c1ccc(Cl)cc1 Amb27193055 [0,2,0,0,0,0|1,0,1]=4 7321 B12R1.16 C=CC[C@@H](O)c1ccc(F)cc1 Amb28255493 [0,2,0,0,0,0|1,0,1]=4 7322 B12R1.16 C=CC[C@H](N)c1ccc(F)cc1 Amb26841094 [0,2,0,0,0,0|1,0,1]=4 7323 B12R1.16 C=CC[C@H](N)c1ccc(N)cc1 Amb27639872 [0,2,0,0,0,0|1,0,1]=4 7324 B12R1.16 C=CC[C@H](N)c1ccc(S)cc1 Amb27461406 [0,2,0,0,0,0|1,0,1]=4 7325 B12R1.16 C=CC[C@H](O)c1ccc(C)cc1 Amb8392357 [0,2,0,0,0,0|1,0,1]=4 7326 B12R1.16 C=CC[C@H](O)c1ccc(F)cc1 Amb8392359 [0,2,0,0,0,0|1,0,1]=4 7327 B12R1.16 CC(CC#N)c1ccc(Br)cc1 Amb25794629 [0,2,0,0,0,0|1,0,1]=4 7328 B12R1.16 CC(CC#N)c1ccc(Cl)cc1 Amb26539908 [0,2,0,0,0,0|1,0,1]=4 7329 B12R1.16 CC(CC#N)c1ccc(F)cc1 Amb27207006 [0,2,0,0,0,0|1,0,1]=4 7330 B12R1.16 CC(CC#N)c1ccc(O)cc1 Amb28243902 [0,2,0,0,0,0|1,0,1]=4 7331 B12R1.16 CC(CC=O)c1ccc(F)cc1 Amb27827352 [0,2,0,0,0,0|0,0,2]=4 7332 B12R1.16 CC(CC=O)c1ccc(I)cc1 Amb27416593 [0,2,0,0,0,0|0,0,2]=4 7333 B12R1.16 CC(CCBr)c1ccc(Cl)cc1 Amb17259616 [0,2,0,0,0,0|1,0,0]=3 7334 B12R1.16 CC(CCBr)c1ccc(F)cc1 Amb17249285 [0,2,0,0,0,0|1,0,0]=3 7335 B12R1.16 CC(CCCl)c1ccc(Br)cc1 Amb17259618 [0,2,0,0,0,0|1,0,0]=3 7336 B12R1.16 CC(CCCl)c1ccc(Cl)cc1 Amb17237597 [0,2,0,0,0,0|1,0,0]=3 7337 B12R1.16 CC(CCCl)c1ccc(F)cc1 Amb17234366 [0,2,0,0,0,0|1,0,0]=3 7338 B12R1.16 CC(CCN)c1ccc(Br)cc1 Amb5739016 [0,2,0,0,0,0|1,0,0]=3 7339 B12R1.16 CC(CCN)c1ccc(Br)cn1 Amb33477127 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.16 CC(CCN)c1ccc(Br)nc1 Amb33387708 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.16 CC(CCN)c1ccc(Cl)cc1 Amb22034632 [0,2,0,0,0,0|1,0,0]=3 7342 B12R1.16 CC(CCN)c1ccc(Cl)cc1 Amb5739015 [0,2,0,0,0,0|1,0,0]=3 7343 B12R1.16 CC(CCN)c1ccc(Cl)nc1 Amb33261508 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.16 CC(CCN)c1ccc(F)cc1 Amb5739014 [0,2,0,0,0,0|1,0,0]=3 7345 B12R1.16 CC(CCN)c1ccc(F)cn1 Amb26354354 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.16 CC(CCN)c1ccc(F)nc1 Amb33426572 [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.16 CC(CCN)c1ccc(O)cc1 Amb33269858 [0,2,0,0,0,0|1,0,0]=3 7348 B12R1.16 CC(CCO)c1ccc(Br)cc1 Amb17248426 [0,2,0,0,0,0|0,0,0]=2 7349 B12R1.16 CC(CCO)c1ccc(Cl)cc1 Amb17234157 [0,2,0,0,0,0|0,0,0]=2 7350 B12R1.16 CC(CCO)c1ccc(F)cc1 Amb17232668 [0,2,0,0,0,0|0,0,0]=2 7351 B12R1.16 CC(CCS)c1ccc(F)cc1 Amb33423592 [0,2,0,0,0,0|0,1,0]=3 7352 B12R1.16 CC(CNN)c1ccc(F)cc1 Amb33274185 [0,2,0,0,0,0|2,0,0]=4 7353 B12R1.16 CC(CNO)c1ccc(F)cc1 Amb33274590 [0,2,0,0,0,0|1,0,0]=3 7354 B12R1.16 CC(CON)c1ccc(Br)cc1 Amb33451555 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.16 CC(CON)c1ccc(Cl)cc1 Amb33052811 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.16 CC(CON)c1ccc(F)cc1 Amb33376578 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.16 CC(CON)c1ccc(O)cc1 Amb33269536 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.16 CCCC(=O)c1ccc(Br)cc1 Amb2567820 [0,2,0,0,0,0|1,0,1]=4 7359 B12R1.16 CCCC(=O)c1ccc(C)cc1 Amb3940678 [0,2,0,0,0,0|1,0,1]=4 7360 B12R1.16 CCCC(=O)c1ccc(Cl)cc1 Amb1679791 [0,2,0,0,0,0|1,0,1]=4 7361 B12R1.16 CCCC(=O)c1ccc(F)cc1 Amb4020581 [0,2,0,0,0,0|1,0,1]=4 7362 B12R1.16 CCCC(=O)c1ccc(I)cc1 Amb4013959 [0,2,0,0,0,0|1,0,1]=4 7363 B12R1.16 CCCC(=O)c1ccc(N)cc1 Amb2684368 [0,2,0,0,0,0|1,0,1]=4 7364 B12R1.16 CCCC(=O)c1ccc(O)cc1 Amb1033062 [0,2,0,0,0,0|1,0,1]=4 7365 B12R1.16 CCCC(Br)c1ccc(Br)cc1 Amb27976372 [0,2,0,0,0,0|1,0,0]=3 7366 B12R1.16 CCCC(C)c1ccc(O)cc1 Amb17594074 [0,2,0,0,0,0|1,0,0]=3 7367 B12R1.16 CCCC(Cl)c1ccc(C)cc1 Amb17139051 [0,2,0,0,0,0|1,0,0]=3 7368 B12R1.16 CCCC(Cl)c1ccc(Cl)cc1 Amb17139906 [0,2,0,0,0,0|1,0,0]=3 7369 B12R1.16 CCCC(Cl)c1ccc(F)cc1 Amb17139162 [0,2,0,0,0,0|1,0,0]=3 7370 B12R1.16 CCCC(N)c1ccc(Br)cc1 Amb6255527 [0,2,0,0,0,0|1,0,0]=3 7371 B12R1.16 CCCC(N)c1ccc(C)cc1 Amb6256136 [0,2,0,0,0,0|1,0,0]=3 7372 B12R1.16 CCCC(N)c1ccc(Cl)cc1 Amb20626143 [0,2,0,0,0,0|1,0,0]=3 7373 B12R1.16 CCCC(N)c1ccc(Cl)cc1 Amb9717984 [0,2,0,0,0,0|1,0,0]=3 7374 B12R1.16 CCCC(N)c1ccc(F)cc1 Amb9717477 [0,2,0,0,0,0|1,0,0]=3 7375 B12R1.16 CCCC(N)c1ccc(F)nc1 Amb28340972 [0,2,0,0,0,0|2,0,0]=4 7376 B12R1.16 CCCC(N)c1ccc(N)cc1 Amb27476459 [0,2,0,0,0,0|1,0,0]=3 7377 B12R1.16 CCCC(N)c1ccc(O)cc1 Amb18939625 [0,2,0,0,0,0|1,0,0]=3 7378 B12R1.16 CCCC(N)c1ccc(S)cc1 Amb27214632 [0,2,0,0,0,0|1,0,0]=3 7379 B12R1.16 CCCC(O)c1ccc(Br)cc1 Amb4011737 [0,2,0,0,0,0|1,0,0]=3 7380 B12R1.16 CCCC(O)c1ccc(C)cc1 Amb4035735 [0,2,0,0,0,0|1,0,0]=3 7381 B12R1.16 CCCC(O)c1ccc(Cl)cc1 Amb4035851 [0,2,0,0,0,0|1,0,0]=3 7382 B12R1.16 CCCC(O)c1ccc(F)cc1 Amb4036341 [0,2,0,0,0,0|1,0,0]=3 7383 B12R1.16 CCCC(O)c1ccc(N)cn1 Amb35622102 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.16 CCCC(O)c1ccc(O)cc1 Amb27226065 [0,2,0,0,0,0|1,0,0]=3 7385 B12R1.16 CCCC(S)c1ccc(Cl)cc1 Amb32788871 [0,2,0,0,0,0|1,0,0]=3 7386 B12R1.16 CCCN(C)c1ccc(Cl)cc1 Amb27804750 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.16 CCCN(C)c1ccc(F)cc1 Amb27653560 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.16 CCCN(C)c1ccc(O)cc1 Amb28064673 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.16 CCCS(=O)c1ccc(N)cc1 Amb18977331 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.16 CCC[C@@H](N)c1ccc(Br)nc1 Amb27441111 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.16 CCC[C@@H](N)c1ccc(C)cc1 Amb27259101 [0,2,0,0,0,0|1,0,0]=3 7392 B12R1.16 CCC[C@@H](N)c1ccc(C)nc1 Amb28456644 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.16 CCC[C@@H](N)c1ccc(F)cc1 Amb22298535 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.16 CCC[C@@H](O)c1ccc(Cl)cc1 Amb27834099 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.16 CCC[C@H](N)c1ccc(Br)cc1 Amb27871377 [0,2,0,0,0,0|1,0,0]=3 7396 B12R1.16 CCC[C@H](N)c1ccc(Br)cn1 Amb27790908 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.16 CCC[C@H](N)c1ccc(Cl)cn1 Amb27593471 [0,2,0,0,0,0|2,0,0]=4 7398 B12R1.16 CCC[C@H](N)c1ccc(F)cc1 Amb22298578 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.16 CCC[C@H](N)c1ccc(F)cc1 Amb24700451 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.16 CCC[C@H](N)c1ccc(F)cn1 Amb27404605 [0,2,0,0,0,0|2,0,0]=4 7401 B12R1.16 CCC[C@H](N)c1ccc(O)cc1 Amb27461355 [0,2,0,0,0,0|1,0,0]=3 7402 B12R1.16 CCC[C@H](O)c1ccc(Br)cc1 Amb27752379 [0,2,0,0,0,0|1,0,0]=3 7403 B12R1.16 CCC[C@H](O)c1ccc(C)cn1 Amb27959954 [0,2,0,0,0,0|2,0,0]=4 7404 B12R1.16 CCC[C@H](O)c1ccc(Cl)cn1 Amb28063198 [0,2,0,0,0,0|2,0,0]=4 7405 B12R1.16 CCC[C@H](O)c1ccc(F)cn1 Amb27452848 [0,2,0,0,0,0|2,0,0]=4 7406 B12R1.16 CCNC(C)c1ccc(Br)cc1 Amb1095032 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.16 CCNC(C)c1ccc(Br)cc1 Amb5716086 [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.16 CCNC(C)c1ccc(F)cc1 Amb10188230 [0,2,0,0,0,0|2,0,0]=4 7409 B12R1.16 CCNC(C)c1ccc(F)cc1 Amb9728805 [0,2,0,0,0,0|2,0,0]=4 7410 B12R1.16 CCNC(C)c1ccc(O)cc1 Amb6268123 [0,2,0,0,0,0|2,0,0]=4 7411 B12R1.16 CCNC(C)c1ccc(S)cc1 Amb27591497 [0,2,0,0,0,0|2,0,0]=4 7412 B12R1.16 CCN[C@@H](C)c1ccc(Br)cc1 Amb28349963 [0,2,0,0,0,0|2,0,0]=4 7413 B12R1.16 CCN[C@@H](C)c1ccc(F)cc1 Amb27955045 [0,2,0,0,0,0|2,0,0]=4 7414 B12R1.16 CCOC(C)c1ccc(I)cc1 Amb33512232 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.16 CCSC(C)c1ccc(F)cc1 Amb28206909 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.16 CN(CCCl)c1ccc(Br)cc1 Amb17351918 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.16 CN(CCCl)c1ccc(Cl)cc1 Amb17338057 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.16 CN(CCCl)c1ccc(F)cc1 Amb17335952 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.16 CN(CCCl)c1ccc(N)cc1 Amb27592197 [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.16 CN(CCF)c1ccc(F)cc1 Amb28185618 [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.16 CN(CCN)c1ccc(Br)cc1 Amb17059648 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.16 CN(CCN)c1ccc(Cl)cc1 Amb17059647 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.16 CN(CCN)c1ccc(F)cc1 Amb17059644 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.16 CN(CCN)c1ccc(I)cc1 Amb27762292 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.16 CN(CCN)c1ccc(N)cc1 Amb18251776 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.16 CN(CCO)c1ccc(Br)cc1 Amb17344450 [0,2,0,0,0,0|1,0,0]=3 7427 B12R1.16 CN(CCO)c1ccc(Br)cn1 Amb17610089 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.16 CN(CCO)c1ccc(Cl)cc1 Amb17335812 [0,2,0,0,0,0|1,0,0]=3 7429 B12R1.16 CN(CCO)c1ccc(F)cc1 Amb17334764 [0,2,0,0,0,0|1,0,0]=3 7430 B12R1.16 CN(CCO)c1ccc(N)cc1 Amb7765984 [0,2,0,0,0,0|1,0,0]=3 7431 B12R1.16 CN(CCO)c1ccc(N)cn1 Amb5786812 [0,2,0,0,0,0|2,0,0]=4 7432 B12R1.16 CN(CCO)c1ccc(N)nc1 Amb8997326 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.16 CNCC(C)c1ccc(Br)cc1 Amb17248095 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.16 CNCC(C)c1ccc(C)cc1 Amb17232442 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.16 CNCC(C)c1ccc(Cl)cc1 Amb17234045 [0,2,0,0,0,0|2,0,0]=4 7436 B12R1.16 CNCC(C)c1ccc(F)cc1 Amb17232642 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.16 CNCC(Cl)c1ccc(F)cc1 Amb27974219 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.16 CNCC(O)c1ccc(Br)cc1 Amb17142608 [0,2,0,0,0,0|2,0,0]=4 7439 B12R1.16 CNCC(O)c1ccc(C)cc1 Amb5750897 [0,2,0,0,0,0|2,0,0]=4 7440 B12R1.16 CNCC(O)c1ccc(Cl)cc1 Amb5750903 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.16 CNCC(O)c1ccc(F)cc1 Amb33547967 [0,2,0,0,0,0|2,0,0]=4 7442 B12R1.16 CNCC(O)c1ccc(F)cc1 Amb6357663 [0,2,0,0,0,0|2,0,0]=4 7443 B12R1.16 CNCC(O)c1ccc(N)cc1 Amb19888327 [0,2,0,0,0,0|2,0,0]=4 7444 B12R1.16 CNCC(O)c1ccc(O)cc1 Amb22166782 [0,2,0,0,0,0|2,0,0]=4 7445 B12R1.16 CNCC(O)c1ccc(O)cc1 Amb8629233 [0,2,0,0,0,0|2,0,0]=4 7446 B12R1.16 CNCC(O)c1ccc(O)cc1 Amb9784888 [0,2,0,0,0,0|2,0,0]=4 7447 B12R1.16 CNC[C@@H](O)c1ccc(Br)cc1 Amb27642048 [0,2,0,0,0,0|2,0,0]=4 7448 B12R1.16 CNC[C@@H](O)c1ccc(O)cc1 Amb25764531 [0,2,0,0,0,0|2,0,0]=4 7449 B12R1.16 COCC(F)c1ccc(N)cc1 Amb27615528 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.16 COCC(N)c1ccc(Br)cc1 Amb18070171 [0,2,0,0,0,0|2,0,0]=4 7451 B12R1.16 COCC(N)c1ccc(Cl)cc1 Amb18979034 [0,2,0,0,0,0|2,0,0]=4 7452 B12R1.16 COCC(N)c1ccc(F)cc1 Amb1139881 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.16 COCC(N)c1ccc(F)cc1 Amb19375549 [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.16 COCC(N)c1ccc(N)cc1 Amb27874108 [0,2,0,0,0,0|2,0,0]=4 7455 B12R1.16 COCC(O)c1ccc(N)cc1 Amb18987938 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.16 COC[C@@H](N)c1ccc(O)cc1 Amb27810795 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.16 COC[C@H](N)c1ccc(C)cc1 Amb27883359 [0,2,0,0,0,0|2,0,0]=4 7458 B12R1.16 COC[C@H](N)c1ccc(I)cc1 Amb27165996 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.16 COC[C@H](N)c1ccc(S)cc1 Amb27202609 [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.16 CSCC(Cl)c1ccc(C)cc1 Amb25805205 [0,2,0,0,0,0|2,0,0]=4 7461 B12R1.16 CSCC(N)c1ccc(Br)cc1 Amb35591576 [0,2,0,0,0,0|2,0,0]=4 7462 B12R1.16 CSCC(N)c1ccc(F)cc1 Amb18300300 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.16 CSCC(O)c1ccc(Br)cc1 Amb35605452 [0,2,0,0,0,0|2,0,0]=4 7464 B12R1.16 CSCC(O)c1ccc(C)cc1 Amb19061295 [0,2,0,0,0,0|2,0,0]=4 7465 B12R1.16 CSCC(O)c1ccc(F)cc1 Amb19070006 [0,2,0,0,0,0|2,0,0]=4 7466 B12R1.16 CSCC(O)c1ccc(N)cc1 Amb18987939 [0,2,0,0,0,0|2,0,0]=4 7467 B12R1.16 C[C@@H](CCBr)c1ccc(Cl)cc1 Amb24667919 [0,2,0,0,0,0|1,0,0]=3 7468 B12R1.16 C[C@@H](CCO)c1ccc(Cl)cc1 Amb25832765 [0,2,0,0,0,0|0,0,0]=2 7469 B12R1.16 C[C@H](CCO)c1ccc(Cl)cc1 Amb28125864 [0,2,0,0,0,0|0,0,0]=2 7470 B12R1.16 C\C(=C/CO)c1ccc(Cl)cc1 Amb27815981 [0,2,0,0,0,0|0,0,2]=4 7471 B12R1.16 Cc1ccc(C(=O)CCBr)cc1 Amb4066426 [0,2,0,0,0,0|1,0,1]=4 7472 B12R1.16 Cc1ccc(C(=O)CCCl)cc1 Amb4464622 [0,2,0,0,0,0|1,0,1]=4 7473 B12R1.16 Cc1ccc(C(=O)CCN)cc1 Amb17194471 [0,2,0,0,0,0|1,0,1]=4 7474 B12R1.16 Cc1ccc(C(=O)CCO)cc1 Amb18563614 [0,2,0,0,0,0|0,0,1]=3 7475 B12R1.16 Cc1ccc(C(=O)CCO)cn1 Amb28324319 [0,2,0,0,0,0|1,0,1]=4 7476 B12R1.16 Cc1ccc(C(=O)CCS)cc1 Amb17400836 [0,2,0,0,0,0|0,1,1]=4 7477 B12R1.16 Cc1ccc(C(=O)NCO)cc1 Amb2793597 [0,2,0,0,0,0|1,0,1]=4 7478 B12R1.16 Cc1ccc(C(C)CC#N)cc1 Amb26989301 [0,2,0,0,0,0|1,0,1]=4 7479 B12R1.16 Cc1ccc(C(C)CC=O)cc1 Amb18645706 [0,2,0,0,0,0|0,0,2]=4 7480 B12R1.16 Cc1ccc(C(C)CCBr)cc1 Amb857803 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.16 Cc1ccc(C(C)CCCl)cc1 Amb17233970 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.16 Cc1ccc(C(C)CCN)cc1 Amb5739007 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.16 Cc1ccc(C(C)CCN)cn1 Amb24525060 [0,2,0,0,0,0|2,0,0]=4 7484 B12R1.16 Cc1ccc(C(C)CCN)nc1 Amb33199159 [0,2,0,0,0,0|2,0,0]=4 7485 B12R1.16 Cc1ccc(C(C)CCO)cc1 Amb17232490 [0,2,0,0,0,0|0,0,0]=2 7486 B12R1.16 Cc1ccc(C(C)CON)cc1 Amb33373957 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.16 Cc1ccc(C(F)CCN)cc1 Amb26912355 [0,2,0,0,0,0|1,0,0]=3 7488 B12R1.16 Cc1ccc(C(F)CCN)cn1 Amb27603867 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.16 Cc1ccc(C(F)CCN)nc1 Amb33198808 [0,2,0,0,0,0|2,0,0]=4 7490 B12R1.16 Cc1ccc(C(N)CC#N)cc1 Amb18563500 [0,2,0,0,0,0|1,0,1]=4 7491 B12R1.16 Cc1ccc(C(N)CCO)cc1 Amb17103955 [0,2,0,0,0,0|0,0,0]=2 7492 B12R1.16 Cc1ccc(C(N)CCO)cn1 Amb28397868 [0,2,0,0,0,0|1,0,0]=3 7493 B12R1.16 Cc1ccc(C(N)CCO)nc1 Amb25743140 [0,2,0,0,0,0|1,0,0]=3 7494 B12R1.16 Cc1ccc(C(O)CC#N)cc1 Amb17232362 [0,2,0,0,0,0|1,0,1]=4 7495 B12R1.16 Cc1ccc(C(O)CCCl)cc1 Amb17194565 [0,2,0,0,0,0|1,0,0]=3 7496 B12R1.16 Cc1ccc(C(O)CCN)cc1 Amb17079132 [0,2,0,0,0,0|1,0,0]=3 7497 B12R1.16 Cc1ccc(C(O)CCN)cn1 Amb27816548 [0,2,0,0,0,0|2,0,0]=4 7498 B12R1.16 Cc1ccc(C(O)CCN)nc1 Amb28244043 [0,2,0,0,0,0|2,0,0]=4 7499 B12R1.16 Cc1ccc(C(O)CCO)cc1 Amb18563722 [0,2,0,0,0,0|0,0,0]=2 7500 B12R1.16 Cc1ccc(C(O)CNN)cc1 Amb17232610 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.16 Cc1ccc(C(O)CNO)cc1 Amb17334704 [0,2,0,0,0,0|1,0,0]=3 7502 B12R1.16 Cc1ccc(C(O)CON)cc1 Amb17334705 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.16 Cc1ccc(N(C)CCCl)cc1 Amb17335672 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.16 Cc1ccc(N(C)CCN)cc1 Amb13893182 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.16 Cc1ccc(N(C)CCO)cc1 Amb17334645 [0,2,0,0,0,0|1,0,0]=3 7506 B12R1.16 Cc1ccc([C@@H](N)CC#N)cc1 Amb27398631 [0,2,0,0,0,0|1,0,1]=4 7507 B12R1.16 Cc1ccc([C@@H](N)CCO)cc1 Amb19888370 [0,2,0,0,0,0|0,0,0]=2 7508 B12R1.16 Cc1ccc([C@@H](N)CCO)cc1 Amb23399704 [0,2,0,0,0,0|0,0,0]=2 7509 B12R1.16 Cc1ccc([C@@H](N)CCO)nc1 Amb25719468 [0,2,0,0,0,0|1,0,0]=3 7510 B12R1.16 Cc1ccc([C@@H](O)CCCl)cc1 Amb28365650 [0,2,0,0,0,0|1,0,0]=3 7511 B12R1.16 Cc1ccc([C@@H](O)CCN)cc1 Amb25996449 [0,2,0,0,0,0|1,0,0]=3 7512 B12R1.16 Cc1ccc([C@@H](O)CCN)cn1 Amb32878225 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.16 Cc1ccc([C@@H](O)CCN)nc1 Amb33198809 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.16 Cc1ccc([C@H](N)CCN)cc1 Amb28056003 [0,2,0,0,0,0|1,0,0]=3 7515 B12R1.16 Cc1ccc([C@H](N)CCO)cc1 Amb19887704 [0,2,0,0,0,0|0,0,0]=2 7516 B12R1.16 Cc1ccc([C@H](N)CCO)nc1 Amb26547290 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.16 Cc1ccc([C@H](O)CC#N)cc1 Amb27447803 [0,2,0,0,0,0|1,0,1]=4 7518 B12R1.16 Cc1ccc([C@H](O)CCN)cc1 Amb28123207 [0,2,0,0,0,0|1,0,0]=3 7519 B12R1.16 Cc1ccc([C@H](O)CCN)cn1 Amb32877860 [0,2,0,0,0,0|2,0,0]=4 7520 B12R1.16 Cc1ccc([C@H](O)CCN)nc1 Amb33198844 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.16 Cc1cnc(C(N)CCO)cn1 Amb33375115 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.16 ClCCC(Br)c1ccc(Cl)cc1 Amb25089461 [0,2,0,0,0,0|1,0,0]=3 7523 B12R1.16 Clc1ccc(C(Br)CCBr)cc1 Amb22001093 [0,2,0,0,0,0|1,0,0]=3 7524 B12R1.16 FC(CCCl)c1ccc(Br)cc1 Amb27872465 [0,2,0,0,0,0|1,0,0]=3 7525 B12R1.16 N#CCC(N)c1ccc(Br)cc1 Amb18069916 [0,2,0,0,0,0|1,0,1]=4 7526 B12R1.16 N#CCC(N)c1ccc(Cl)cc1 Amb18564160 [0,2,0,0,0,0|1,0,1]=4 7527 B12R1.16 N#CCC(N)c1ccc(F)cc1 Amb18563605 [0,2,0,0,0,0|1,0,1]=4 7528 B12R1.16 N#CCC(N)c1ccc(I)cc1 Amb26472687 [0,2,0,0,0,0|1,0,1]=4 7529 B12R1.16 N#CCC(N)c1ccc(N)cc1 Amb27425195 [0,2,0,0,0,0|1,0,1]=4 7530 B12R1.16 N#CCC(N)c1ccc(O)cc1 Amb27425196 [0,2,0,0,0,0|1,0,1]=4 7531 B12R1.16 N#CCC(O)c1ccc(Br)cc1 Amb18134741 [0,2,0,0,0,0|1,0,1]=4 7532 B12R1.16 N#CCC(O)c1ccc(Cl)cc1 Amb597588 [0,2,0,0,0,0|1,0,1]=4 7533 B12R1.16 N#CCC(O)c1ccc(F)cc1 Amb17232518 [0,2,0,0,0,0|1,0,1]=4 7534 B12R1.16 N#CCC(O)c1ccc(I)cc1 Amb27658371 [0,2,0,0,0,0|1,0,1]=4 7535 B12R1.16 N#CCC(O)c1ccc(O)cc1 Amb33269075 [0,2,0,0,0,0|1,0,1]=4 7536 B12R1.16 N#CC[C@@H](N)c1ccc(Br)cc1 Amb27259370 [0,2,0,0,0,0|1,0,1]=4 7537 B12R1.16 N#CC[C@@H](N)c1ccc(I)cc1 Amb28252095 [0,2,0,0,0,0|1,0,1]=4 7538 B12R1.16 N#CC[C@@H](N)c1ccc(N)cc1 Amb27389232 [0,2,0,0,0,0|1,0,1]=4 7539 B12R1.16 N#CC[C@H](O)c1ccc(Cl)cc1 Amb27179708 [0,2,0,0,0,0|1,0,1]=4 7540 B12R1.16 NC(CCO)c1ccc(Br)cc1 Amb2683232 [0,2,0,0,0,0|0,0,0]=2 7541 B12R1.16 NC(CCO)c1ccc(Br)cc1 Amb8631678 [0,2,0,0,0,0|0,0,0]=2 7542 B12R1.16 NC(CCO)c1ccc(Br)cn1 Amb24540520 [0,2,0,0,0,0|1,0,0]=3 7543 B12R1.16 NC(CCO)c1ccc(Br)nc1 Amb26935097 [0,2,0,0,0,0|1,0,0]=3 7544 B12R1.16 NC(CCO)c1ccc(Cl)cc1 Amb19888463 [0,2,0,0,0,0|0,0,0]=2 7545 B12R1.16 NC(CCO)c1ccc(Cl)cc1 Amb1993959 [0,2,0,0,0,0|0,0,0]=2 7546 B12R1.16 NC(CCO)c1ccc(Cl)cn1 Amb25865504 [0,2,0,0,0,0|1,0,0]=3 7547 B12R1.16 NC(CCO)c1ccc(Cl)nc1 Amb28128011 [0,2,0,0,0,0|1,0,0]=3 7548 B12R1.16 NC(CCO)c1ccc(F)cc1 Amb2683230 [0,2,0,0,0,0|0,0,0]=2 7549 B12R1.16 NC(CCO)c1ccc(F)cn1 Amb24713297 [0,2,0,0,0,0|1,0,0]=3 7550 B12R1.16 NC(CCO)c1ccc(F)nc1 Amb24760895 [0,2,0,0,0,0|1,0,0]=3 7551 B12R1.16 NC(CCO)c1ccc(I)cc1 Amb28398110 [0,2,0,0,0,0|0,0,0]=2 7552 B12R1.16 NC(CCO)c1ccc(O)cc1 Amb27781361 [0,2,0,0,0,0|0,0,0]=2 7553 B12R1.16 NC(CCO)c1ncc(Br)cn1 Amb33334370 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.16 NCCC(=O)c1ccc(Br)cc1 Amb17195655 [0,2,0,0,0,0|1,0,1]=4 7555 B12R1.16 NCCC(=O)c1ccc(Cl)cc1 Amb17194559 [0,2,0,0,0,0|1,0,1]=4 7556 B12R1.16 NCCC(=O)c1ccc(F)cc1 Amb17108934 [0,2,0,0,0,0|1,0,1]=4 7557 B12R1.16 NCCC(=O)c1ccc(O)cc1 Amb27266111 [0,2,0,0,0,0|1,0,1]=4 7558 B12R1.16 NCCC(F)c1ccc(Br)cc1 Amb25255565 [0,2,0,0,0,0|1,0,0]=3 7559 B12R1.16 NCCC(F)c1ccc(Br)cn1 Amb33477123 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.16 NCCC(F)c1ccc(Br)nc1 Amb33388054 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.16 NCCC(F)c1ccc(Cl)cc1 Amb27756577 [0,2,0,0,0,0|1,0,0]=3 7562 B12R1.16 NCCC(F)c1ccc(Cl)nc1 Amb33261562 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.16 NCCC(F)c1ccc(F)cc1 Amb28062015 [0,2,0,0,0,0|1,0,0]=3 7564 B12R1.16 NCCC(F)c1ccc(F)cn1 Amb33315872 [0,2,0,0,0,0|2,0,0]=4 7565 B12R1.16 NCCC(F)c1ccc(F)nc1 Amb33426206 [0,2,0,0,0,0|2,0,0]=4 7566 B12R1.16 NCCC(F)c1ccc(O)cc1 Amb27481950 [0,2,0,0,0,0|1,0,0]=3 7567 B12R1.16 NCCC(N)c1ccc(O)cc1 Amb27850065 [0,2,0,0,0,0|1,0,0]=3 7568 B12R1.16 NCCC(O)c1ccc(Br)cc1 Amb17079141 [0,2,0,0,0,0|1,0,0]=3 7569 B12R1.16 NCCC(O)c1ccc(Br)cn1 Amb27978113 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.16 NCCC(O)c1ccc(Br)nc1 Amb33388075 [0,2,0,0,0,0|2,0,0]=4 7571 B12R1.16 NCCC(O)c1ccc(Cl)cc1 Amb17079140 [0,2,0,0,0,0|1,0,0]=3 7572 B12R1.16 NCCC(O)c1ccc(Cl)cc1 Amb21984559 [0,2,0,0,0,0|1,0,0]=3 7573 B12R1.16 NCCC(O)c1ccc(Cl)cn1 Amb32694274 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.16 NCCC(O)c1ccc(Cl)nc1 Amb33261206 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.16 NCCC(O)c1ccc(F)cc1 Amb17079139 [0,2,0,0,0,0|1,0,0]=3 7576 B12R1.16 NCCC(O)c1ccc(F)cc1 Amb21984558 [0,2,0,0,0,0|1,0,0]=3 7577 B12R1.16 NCCC(O)c1ccc(F)cn1 Amb24536213 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.16 NCCC(O)c1ccc(F)nc1 Amb33426949 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.16 NCCC(O)c1ccc(I)cc1 Amb27187555 [0,2,0,0,0,0|1,0,0]=3 7580 B12R1.16 NCCC(O)c1ccc(O)cc1 Amb18251886 [0,2,0,0,0,0|1,0,0]=3 7581 B12R1.16 NCCS(=O)c1ccc(Br)cc1 Amb18290919 [0,2,0,0,0,0|2,0,0]=4 7582 B12R1.16 NCCS(=O)c1ccc(I)cc1 Amb25315872 [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.16 NCC[C@@H](N)c1ccc(I)cc1 Amb27880603 [0,2,0,0,0,0|1,0,0]=3 7584 B12R1.16 NCC[C@@H](O)c1ccc(Br)cc1 Amb33451500 [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.16 NCC[C@@H](O)c1ccc(Br)cn1 Amb33477118 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.16 NCC[C@@H](O)c1ccc(Br)nc1 Amb33388049 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.16 NCC[C@@H](O)c1ccc(Cl)cc1 Amb28240508 [0,2,0,0,0,0|1,0,0]=3 7588 B12R1.16 NCC[C@@H](O)c1ccc(Cl)nc1 Amb33261553 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.16 NCC[C@@H](O)c1ccc(F)cc1 Amb25148762 [0,2,0,0,0,0|1,0,0]=3 7590 B12R1.16 NCC[C@@H](O)c1ccc(F)cn1 Amb33315874 [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.16 NCC[C@@H](O)c1ccc(F)nc1 Amb33426209 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.16 NCC[C@@H](O)c1ccc(O)cc1 Amb33269541 [0,2,0,0,0,0|1,0,0]=3 7593 B12R1.16 NCC[C@H](N)c1ccc(Cl)cc1 Amb28196691 [0,2,0,0,0,0|1,0,0]=3 7594 B12R1.16 NCC[C@H](N)c1ccc(Cl)nc1 Amb28132471 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.16 NCC[C@H](N)c1ccc(I)cc1 Amb27629698 [0,2,0,0,0,0|1,0,0]=3 7596 B12R1.16 NCC[C@H](O)c1ccc(Br)cc1 Amb33451906 [0,2,0,0,0,0|1,0,0]=3 7597 B12R1.16 NCC[C@H](O)c1ccc(Br)cn1 Amb33477120 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.16 NCC[C@H](O)c1ccc(Br)nc1 Amb33388052 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.16 NCC[C@H](O)c1ccc(Cl)cc1 Amb24727053 [0,2,0,0,0,0|1,0,0]=3 7600 B12R1.16 NCC[C@H](O)c1ccc(Cl)nc1 Amb33261557 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.16 NCC[C@H](O)c1ccc(F)cc1 Amb25148765 [0,2,0,0,0,0|1,0,0]=3 7602 B12R1.16 NCC[C@H](O)c1ccc(F)cn1 Amb33315873 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.16 NCC[C@H](O)c1ccc(F)nc1 Amb33426208 [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.16 NCC[C@H](O)c1ccc(O)cc1 Amb33269539 [0,2,0,0,0,0|1,0,0]=3 7605 B12R1.16 NNCC(O)c1ccc(Br)cc1 Amb17249280 [0,2,0,0,0,0|2,0,0]=4 7606 B12R1.16 NNCC(O)c1ccc(Cl)cc1 Amb17234362 [0,2,0,0,0,0|2,0,0]=4 7607 B12R1.16 NNCC(O)c1ccc(F)cc1 Amb17232743 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.16 NOCC(O)c1ccc(Br)cc1 Amb17345008 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.16 NOCC(O)c1ccc(Cl)cc1 Amb17335950 [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.16 NOCC(O)c1ccc(F)cc1 Amb17334839 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.16 N[C@@H](CCO)c1ccc(Br)cc1 Amb8631672 [0,2,0,0,0,0|0,0,0]=2 7612 B12R1.16 N[C@@H](CCO)c1ccc(Br)cn1 Amb24399312 [0,2,0,0,0,0|1,0,0]=3 7613 B12R1.16 N[C@@H](CCO)c1ccc(Br)nc1 Amb26332053 [0,2,0,0,0,0|1,0,0]=3 7614 B12R1.16 N[C@@H](CCO)c1ccc(Cl)cc1 Amb19888405 [0,2,0,0,0,0|0,0,0]=2 7615 B12R1.16 N[C@@H](CCO)c1ccc(Cl)cc1 Amb22747365 [0,2,0,0,0,0|0,0,0]=2 7616 B12R1.16 N[C@@H](CCO)c1ccc(Cl)cn1 Amb25368193 [0,2,0,0,0,0|1,0,0]=3 7617 B12R1.16 N[C@@H](CCO)c1ccc(Cl)nc1 Amb24361595 [0,2,0,0,0,0|1,0,0]=3 7618 B12R1.16 N[C@@H](CCO)c1ccc(F)cc1 Amb19888378 [0,2,0,0,0,0|0,0,0]=2 7619 B12R1.16 N[C@@H](CCO)c1ccc(F)nc1 Amb24370788 [0,2,0,0,0,0|1,0,0]=3 7620 B12R1.16 N[C@@H](CCO)c1ccc(O)cc1 Amb24446583 [0,2,0,0,0,0|0,0,0]=2 7621 B12R1.16 N[C@@H](CCO)c1ccc(S)cc1 Amb27413141 [0,2,0,0,0,0|0,0,0]=2 7622 B12R1.16 N[C@H](CCO)c1ccc(Br)cc1 Amb19887638 [0,2,0,0,0,0|0,0,0]=2 7623 B12R1.16 N[C@H](CCO)c1ccc(Br)cn1 Amb25035262 [0,2,0,0,0,0|1,0,0]=3 7624 B12R1.16 N[C@H](CCO)c1ccc(Br)nc1 Amb24759936 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.16 N[C@H](CCO)c1ccc(Cl)cc1 Amb19887657 [0,2,0,0,0,0|0,0,0]=2 7626 B12R1.16 N[C@H](CCO)c1ccc(Cl)cn1 Amb25859241 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.16 N[C@H](CCO)c1ccc(Cl)nc1 Amb25722664 [0,2,0,0,0,0|1,0,0]=3 7628 B12R1.16 N[C@H](CCO)c1ccc(F)cc1 Amb19887667 [0,2,0,0,0,0|0,0,0]=2 7629 B12R1.16 N[C@H](CCO)c1ccc(F)nc1 Amb24715237 [0,2,0,0,0,0|1,0,0]=3 7630 B12R1.16 N[C@H](CCO)c1ccc(O)cn1 Amb27751960 [0,2,0,0,0,0|1,0,0]=3 7631 B12R1.16 N[C@H](CCO)c1ccc(O)nc1 Amb27212947 [0,2,0,0,0,0|1,0,0]=3 7632 B12R1.16 N[C@H](CCO)c1cnc(Cl)nc1 Amb28043023 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.16 Nc1ccc(C(=O)CCCl)cc1 Amb17202006 [0,2,0,0,0,0|1,0,1]=4 7634 B12R1.16 Nc1ccc(C(N)CCO)cc1 Amb19887602 [0,2,0,0,0,0|0,0,0]=2 7635 B12R1.16 Nc1ccc(C(N)CCO)cc1 Amb8631339 [0,2,0,0,0,0|0,0,0]=2 7636 B12R1.16 Nc1ccc([C@@H](N)CCO)cc1 Amb31289320 [0,2,0,0,0,0|0,0,0]=2 7637 B12R1.16 Nc1ccc([C@@H](N)CCO)cc1 Amb8631338 [0,2,0,0,0,0|0,0,0]=2 7638 B12R1.16 Nc1ccc([C@@H](N)CCO)nc1 Amb27961479 [0,2,0,0,0,0|1,0,0]=3 7639 B12R1.16 Nc1ccc([C@H](N)CCO)cn1 Amb28341758 [0,2,0,0,0,0|1,0,0]=3 7640 B12R1.16 O=C(CCBr)c1ccc(Br)cc1 Amb17437866 [0,2,0,0,0,0|1,0,1]=4 7641 B12R1.16 O=C(CCBr)c1ccc(Cl)cc1 Amb4034399 [0,2,0,0,0,0|1,0,1]=4 7642 B12R1.16 O=C(CCBr)c1ccc(F)cc1 Amb17437867 [0,2,0,0,0,0|1,0,1]=4 7643 B12R1.16 O=C(CCBr)c1ccc(I)cc1 Amb27619702 [0,2,0,0,0,0|1,0,1]=4 7644 B12R1.16 O=C(CCBr)c1ccc(O)cc1 Amb26352653 [0,2,0,0,0,0|1,0,1]=4 7645 B12R1.16 O=C(CCCl)c1ccc(Br)cc1 Amb6298829 [0,2,0,0,0,0|1,0,1]=4 7646 B12R1.16 O=C(CCCl)c1ccc(Cl)cc1 Amb2724275 [0,2,0,0,0,0|1,0,1]=4 7647 B12R1.16 O=C(CCCl)c1ccc(F)cc1 Amb1233062 [0,2,0,0,0,0|1,0,1]=4 7648 B12R1.16 O=C(CCCl)c1ccc(O)cc1 Amb18552996 [0,2,0,0,0,0|1,0,1]=4 7649 B12R1.16 O=C(CCCl)c1ccc(S)cc1 Amb27259811 [0,2,0,0,0,0|1,0,1]=4 7650 B12R1.16 O=C(CCO)c1ccc(Br)cc1 Amb18069914 [0,2,0,0,0,0|0,0,1]=3 7651 B12R1.16 O=C(CCO)c1ccc(Cl)cc1 Amb18564305 [0,2,0,0,0,0|0,0,1]=3 7652 B12R1.16 O=C(CCO)c1ccc(F)cc1 Amb1111123 [0,2,0,0,0,0|0,0,1]=3 7653 B12R1.16 O=C(CCO)c1ccc(O)cc1 Amb8399058 [0,2,0,0,0,0|0,0,1]=3 7654 B12R1.16 O=C(CCS)c1ccc(Br)cc1 Amb17411234 [0,2,0,0,0,0|0,1,1]=4 7655 B12R1.16 O=C(CCS)c1ccc(Cl)cc1 Amb17402391 [0,2,0,0,0,0|0,1,1]=4 7656 B12R1.16 O=C(CCS)c1ccc(F)cc1 Amb17401021 [0,2,0,0,0,0|0,1,1]=4 7657 B12R1.16 O=C(NCO)c1ccc(Cl)cc1 Amb2793594 [0,2,0,0,0,0|1,0,1]=4 7658 B12R1.16 O=C(NCO)c1ccc(F)cc1 Amb2793598 [0,2,0,0,0,0|1,0,1]=4 7659 B12R1.16 O=CCC(O)c1ccc(I)cc1 Amb27954814 [0,2,0,0,0,0|0,0,2]=4 7660 B12R1.16 O=CC[C@@H](O)c1ccc(Cl)cc1 Amb27770788 [0,2,0,0,0,0|0,0,2]=4 7661 B12R1.16 O=NCC(Cl)c1ccc(F)cc1 Amb28385616 [0,2,0,0,0,0|1,0,1]=4 7662 B12R1.16 O=S(CCCl)c1ccc(Br)cc1 Amb9677472 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.16 O=S(CCCl)c1ccc(Cl)cc1 Amb9677437 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.16 O=S(CCF)c1ccc(F)cc1 Amb27407396 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.16 O=S(CCO)c1ccc(Cl)cc1 Amb25969463 [0,2,0,0,0,0|1,0,0]=3 7666 B12R1.16 OC(CCBr)c1ccc(Br)cc1 Amb32676367 [0,2,0,0,0,0|1,0,0]=3 7667 B12R1.16 OC(CCBr)c1ccc(Cl)cc1 Amb32676368 [0,2,0,0,0,0|1,0,0]=3 7668 B12R1.16 OC(CCBr)c1ccc(F)cc1 Amb32676369 [0,2,0,0,0,0|1,0,0]=3 7669 B12R1.16 OC(CCCl)c1ccc(Br)cc1 Amb17196599 [0,2,0,0,0,0|1,0,0]=3 7670 B12R1.16 OC(CCCl)c1ccc(Cl)cc1 Amb17194897 [0,2,0,0,0,0|1,0,0]=3 7671 B12R1.16 OC(CCCl)c1ccc(F)cc1 Amb17194592 [0,2,0,0,0,0|1,0,0]=3 7672 B12R1.16 OC(CCI)c1ccc(F)cc1 Amb24537939 [0,2,0,0,0,0|1,0,0]=3 7673 B12R1.16 OC(CCS)c1ccc(F)cc1 Amb28066032 [0,2,0,0,0,0|0,1,0]=3 7674 B12R1.16 OCCC(Cl)c1ccc(F)cc1 Amb27880878 [0,2,0,0,0,0|0,0,0]=2 7675 B12R1.16 OCCC(F)c1ccc(Br)cc1 Amb27491853 [0,2,0,0,0,0|0,0,0]=2 7676 B12R1.16 OCCC(F)c1ccc(Cl)cc1 Amb28188244 [0,2,0,0,0,0|0,0,0]=2 7677 B12R1.16 OCCC(O)c1ccc(Br)cc1 Amb18070318 [0,2,0,0,0,0|0,0,0]=2 7678 B12R1.16 OCCC(O)c1ccc(Cl)cc1 Amb18066186 [0,2,0,0,0,0|0,0,0]=2 7679 B12R1.16 OCCC(O)c1ccc(F)cc1 Amb18563926 [0,2,0,0,0,0|0,0,0]=2 7680 B12R1.16 ONCC(O)c1ccc(Br)cc1 Amb17345007 [0,2,0,0,0,0|1,0,0]=3 7681 B12R1.16 ONCC(O)c1ccc(Cl)cc1 Amb17335949 [0,2,0,0,0,0|1,0,0]=3 7682 B12R1.16 ONCC(O)c1ccc(F)cc1 Amb17334838 [0,2,0,0,0,0|1,0,0]=3 7683 B12R1.16 ONCC(O)c1ccc(O)cc1 Amb17334758 [0,2,0,0,0,0|1,0,0]=3 7684 B12R1.16 O[C@@H](CCCl)c1ccc(Cl)cc1 Amb27178138 [0,2,0,0,0,0|1,0,0]=3 7685 B12R1.16 O[C@@H](CCCl)c1ccc(F)cc1 Amb25073942 [0,2,0,0,0,0|1,0,0]=3 7686 B12R1.16 O[C@@H](CCI)c1ccc(F)cc1 Amb16233257 [0,2,0,0,0,0|1,0,0]=3 7687 B12R1.16 [C-]#[N+]CC(C)c1ccc(F)cc1 Amb33274138 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.16 [C-]#[N+]CC(F)c1ccc(C)cc1 Amb27481958 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.16 [C-]#[N+]CC(F)c1ccc(Cl)cc1 Amb28071580 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.16 [C-]#[N+]CC(F)c1ccc(O)cc1 Amb27958649 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.21 CC(=O)CCc1ccc(Br)cc1 Amb5740059 [0,2,0,0,0,0|0,0,2]=4 7692 B12R1.21 CC(=O)CCc1ccc(C)cc1 Amb5740050 [0,2,0,0,0,0|0,0,2]=4 7693 B12R1.21 CC(=O)CCc1ccc(Cl)cc1 Amb5740058 [0,2,0,0,0,0|0,0,2]=4 7694 B12R1.21 CC(=O)CCc1ccc(F)cc1 Amb5740057 [0,2,0,0,0,0|0,0,2]=4 7695 B12R1.21 CC(=O)CCc1ccc(I)cc1 Amb26325783 [0,2,0,0,0,0|0,0,2]=4 7696 B12R1.21 CC(=O)CCc1ccc(N)cc1 Amb27637738 [0,2,0,0,0,0|0,0,2]=4 7697 B12R1.21 CC(=O)CCc1ccc(O)cc1 Amb533055 [0,2,0,0,0,0|0,0,2]=4 7698 B12R1.21 CC(Br)CCc1ccc(F)cc1 Amb27404173 [0,2,0,0,0,0|1,0,0]=3 7699 B12R1.21 CC(C)CCN1C=CC(=O)C=C1 Amb27595804 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.21 CC(C)CCc1ccc(Br)cc1 Amb2226924 [0,2,0,0,0,0|1,0,0]=3 7701 B12R1.21 CC(C)CCc1ccc(N)cc1 Amb9299174 [0,2,0,0,0,0|1,0,0]=3 7702 B12R1.21 CC(C)CCc1ccc(N)cn1 Amb18828680 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.21 CC(C)CCc1ccc(N)nc1 Amb18199738 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.21 CC(C)CCc1ccc(O)cc1 Amb3939486 [0,2,0,0,0,0|1,0,0]=3 7705 B12R1.21 CC(C)CNc1ccc(Br)cc1 Amb6696487 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.21 CC(C)CNc1ccc(Cl)cc1 Amb20669276 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.21 CC(C)CNc1ccc(Cl)cc1 Amb6695926 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.21 CC(C)CNc1ccc(F)cc1 Amb6696720 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.21 CC(C)CNc1ccc(I)cc1 Amb7785056 [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.21 CC(C)CNc1ccc(N)cc1 Amb9205219 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.21 CC(C)COc1ccc(Br)cc1 Amb6665064 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.21 CC(C)COc1ccc(Cl)cc1 Amb25667205 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.21 CC(C)COc1ccc(F)cc1 Amb26074184 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.21 CC(C)COc1ccc(N)cc1 Amb1124176 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.21 CC(C)COc1ccc(N)cc1 Amb6541453 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.21 CC(C)COc1ccc(O)cc1 Amb8837235 [0,2,0,0,0,0|2,0,0]=4 7717 B12R1.21 CC(C)COc1ccc(S)cc1 Amb27165240 [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.21 CC(C)CSc1ccc(Br)cc1 Amb26372436 [0,2,0,0,0,0|2,0,0]=4 7719 B12R1.21 CC(C)CSc1ccc(Cl)cc1 Amb25133783 [0,2,0,0,0,0|2,0,0]=4 7720 B12R1.21 CC(C)CSc1ccc(F)cc1 Amb24760114 [0,2,0,0,0,0|2,0,0]=4 7721 B12R1.21 CC(C)CSc1ccc(O)cc1 Amb18321683 [0,2,0,0,0,0|2,0,0]=4 7722 B12R1.21 CC(C)NCc1ccc(Br)cc1 Amb2118441 [0,2,0,0,0,0|2,0,0]=4 7723 B12R1.21 CC(C)NCc1ccc(Br)cc1 Amb838820 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.21 CC(C)NCc1ccc(Cl)cc1 Amb2118439 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.21 CC(C)NCc1ccc(Cl)cc1 Amb838821 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.21 CC(C)NCc1ccc(F)cc1 Amb2118451 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.21 CC(C)NCc1ccc(F)cc1 Amb6242982 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.21 CC(C)NCc1ccc(N)cc1 Amb17739716 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.21 CC(C)NCc1ccc(O)cc1 Amb20673450 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.21 CC(C)NCc1ccc(O)cc1 Amb6685366 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.21 CC(C)OCc1ccc(Br)cc1 Amb19301962 [0,2,0,0,0,0|2,0,0]=4 7732 B12R1.21 CC(C)OCc1ccc(N)cc1 Amb6242533 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.21 CC(C)SCc1ccc(Br)cc1 Amb19196493 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.21 CC(C)SCc1ccc(I)cc1 Amb27869350 [0,2,0,0,0,0|2,0,0]=4 7735 B12R1.21 CC(Cl)CCc1ccc(Br)cn1 Amb27765442 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.21 CC(F)COc1ccc(O)cc1 Amb27429179 [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.21 CC(F)CSc1ccc(O)cc1 Amb28384761 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.21 CC(N)CCc1ccc(Br)cc1 Amb17991263 [0,2,0,0,0,0|1,0,0]=3 7739 B12R1.21 CC(N)CCc1ccc(Br)cc1 Amb5740113 [0,2,0,0,0,0|1,0,0]=3 7740 B12R1.21 CC(N)CCc1ccc(Br)cn1 Amb25204452 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.21 CC(N)CCc1ccc(Br)nc1 Amb33388106 [0,2,0,0,0,0|2,0,0]=4 7742 B12R1.21 CC(N)CCc1ccc(Cl)cc1 Amb2721944 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.21 CC(N)CCc1ccc(Cl)cn1 Amb33407727 [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.21 CC(N)CCc1ccc(Cl)nc1 Amb33261600 [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.21 CC(N)CCc1ccc(F)cc1 Amb2721878 [0,2,0,0,0,0|1,0,0]=3 7746 B12R1.21 CC(N)CCc1ccc(F)cn1 Amb33474735 [0,2,0,0,0,0|2,0,0]=4 7747 B12R1.21 CC(N)CCc1ccc(F)nc1 Amb33426184 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.21 CC(N)CCc1ccc(I)cc1 Amb26399605 [0,2,0,0,0,0|1,0,0]=3 7749 B12R1.21 CC(N)CCc1ccc(I)cc1 Amb28600239 [0,2,0,0,0,0|1,0,0]=3 7750 B12R1.21 CC(N)CCc1ccc(N)cc1 Amb27267781 [0,2,0,0,0,0|1,0,0]=3 7751 B12R1.21 CC(N)CCc1ccc(O)cc1 Amb495539 [0,2,0,0,0,0|1,0,0]=3 7752 B12R1.21 CC(N)CNc1ccc(Br)cc1 Amb27755338 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.21 CC(N)CNc1ccc(Cl)cc1 Amb25962673 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.21 CC(N)CNc1ccc(F)cc1 Amb25237265 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.21 CC(N)COc1ccc(Br)cc1 Amb5724435 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.21 CC(N)COc1ccc(Cl)cc1 Amb17224217 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.21 CC(N)COc1ccc(Cl)cc1 Amb9756356 [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.21 CC(N)COc1ccc(F)cc1 Amb10609780 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.21 CC(N)COc1ccc(F)cc1 Amb1140862 [0,2,0,0,0,0|2,0,0]=4 7760 B12R1.21 CC(N)COc1ccc(N)cc1 Amb27790650 [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.21 CC(N)COc1ccc(O)cc1 Amb27817891 [0,2,0,0,0,0|2,0,0]=4 7762 B12R1.21 CC(N)CSc1ccc(Br)cc1 Amb18576934 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.21 CC(N)CSc1ccc(Cl)cc1 Amb18066330 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.21 CC(N)CSc1ccc(Cl)cc1 Amb21988434 [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.21 CC(N)CSc1ccc(F)cc1 Amb18564329 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.21 CC(N)CSc1ccc(F)cc1 Amb32662176 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.21 CC(N)CSc1ccc(O)cc1 Amb25350095 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.21 CC(O)C#Cc1ccc(Cl)cc1 Amb9777257 [0,2,0,0,0,0|0,0,2]=4 7769 B12R1.21 CC(O)CCc1ccc(Br)cc1 Amb24056590 [0,2,0,0,0,0|0,0,0]=2 7770 B12R1.21 CC(O)CCc1ccc(Br)cn1 Amb26452215 [0,2,0,0,0,0|1,0,0]=3 7771 B12R1.21 CC(O)CCc1ccc(Br)nc1 Amb33388355 [0,2,0,0,0,0|1,0,0]=3 7772 B12R1.21 CC(O)CCc1ccc(Cl)cc1 Amb17507284 [0,2,0,0,0,0|0,0,0]=2 7773 B12R1.21 CC(O)CCc1ccc(Cl)cn1 Amb33220655 [0,2,0,0,0,0|1,0,0]=3 7774 B12R1.21 CC(O)CCc1ccc(Cl)nc1 Amb33261604 [0,2,0,0,0,0|1,0,0]=3 7775 B12R1.21 CC(O)CCc1ccc(F)cc1 Amb17507285 [0,2,0,0,0,0|0,0,0]=2 7776 B12R1.21 CC(O)CCc1ccc(F)cn1 Amb33474973 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.21 CC(O)CCc1ccc(F)nc1 Amb33426183 [0,2,0,0,0,0|1,0,0]=3 7778 B12R1.21 CC(O)CCc1ccc(I)cc1 Amb27669702 [0,2,0,0,0,0|0,0,0]=2 7779 B12R1.21 CC(O)CCc1ccc(N)cc1 Amb32671893 [0,2,0,0,0,0|0,0,0]=2 7780 B12R1.21 CC(O)CCc1ccc(O)cc1 Amb1110722 [0,2,0,0,0,0|0,0,0]=2 7781 B12R1.21 CC(O)CCc1ncc(Br)cn1 Amb33334792 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.21 CC(O)CNc1ccc(Br)cc1 Amb17142609 [0,2,0,0,0,0|1,0,0]=3 7783 B12R1.21 CC(O)CNc1ccc(Cl)cc1 Amb17139127 [0,2,0,0,0,0|1,0,0]=3 7784 B12R1.21 CC(O)CNc1ccc(F)cc1 Amb17138651 [0,2,0,0,0,0|1,0,0]=3 7785 B12R1.21 CC(O)CNc1ccc(F)cn1 Amb18291208 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.21 CC(O)CNc1ccc(I)cc1 Amb28044330 [0,2,0,0,0,0|1,0,0]=3 7787 B12R1.21 CC(O)CNc1ccc(N)cn1 Amb9359005 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.21 CC(O)CNc1ccc(N)nc1 Amb9358996 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.21 CC(O)COc1ccc(Br)cn1 Amb27625283 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.21 CC(O)COc1ccc(F)cc1 Amb18806455 [0,2,0,0,0,0|1,0,0]=3 7791 B12R1.21 CC(O)COc1ccc(I)cc1 Amb25115077 [0,2,0,0,0,0|1,0,0]=3 7792 B12R1.21 CC(O)COc1ccc(I)nc1 Amb28293802 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.21 CC(O)CSc1ccc(Br)cc1 Amb27760869 [0,2,0,0,0,0|1,0,0]=3 7794 B12R1.21 CC(O)CSc1ccc(Cl)cc1 Amb2686422 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.21 CC(O)CSc1ccc(N)nc1 Amb18289455 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.21 CC(O)\C=C\c1ccc(Br)cc1 Amb26842748 [0,2,0,0,0,0|0,0,2]=4 7797 B12R1.21 CC(O)\C=C\c1ccc(Cl)cc1 Amb26363210 [0,2,0,0,0,0|0,0,2]=4 7798 B12R1.21 CC(O)\C=C\c1ccc(F)cc1 Amb26392384 [0,2,0,0,0,0|0,0,2]=4 7799 B12R1.21 CC(O)\C=C\c1ccc(N)cc1 Amb35622609 [0,2,0,0,0,0|0,0,2]=4 7800 B12R1.21 CC(S)CCc1ccc(O)cc1 Amb7784690 [0,2,0,0,0,0|0,1,0]=3 7801 B12R1.21 CN(C)CCc1ccc(Br)cc1 Amb21858668 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.21 CN(C)CCc1ccc(Br)cc1 Amb28963297 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.21 CN(C)CCc1ccc(Cl)cc1 Amb26471077 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.21 CN(C)CCc1ccc(N)cc1 Amb5733532 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.21 CN(C)CCc1ccc(O)cc1 Amb2688779 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.21 CN(C)CCc1ccc(O)cc1 Amb538576 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.21 CN(C)CCc1ccc(O)cc1 Amb6825700 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.21 CN(N)CCc1ccc(Br)cc1 Amb18070402 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.21 CN(N)CCc1ccc(Cl)cc1 Amb18564318 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.21 CN(N)CCc1ccc(F)cc1 Amb18563851 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.21 C[C@@H](Cl)COc1ccc(N)cc1 Amb27392394 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.21 C[C@@H](Cl)COc1ccc(O)cc1 Amb27400360 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.21 C[C@@H](N)CCc1ccc(Br)cc1 Amb33452296 [0,2,0,0,0,0|1,0,0]=3 7814 B12R1.21 C[C@@H](N)CCc1ccc(Br)cn1 Amb33477153 [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.21 C[C@@H](N)CCc1ccc(Br)nc1 Amb33388369 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.21 C[C@@H](N)CCc1ccc(Cl)cc1 Amb33262570 [0,2,0,0,0,0|1,0,0]=3 7817 B12R1.21 C[C@@H](N)CCc1ccc(Cl)nc1 Amb33261669 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.21 C[C@@H](N)CCc1ccc(F)cc1 Amb27488653 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.21 C[C@@H](N)CCc1ccc(F)cn1 Amb33316396 [0,2,0,0,0,0|2,0,0]=4 7820 B12R1.21 C[C@@H](N)CCc1ccc(F)nc1 Amb33426179 [0,2,0,0,0,0|2,0,0]=4 7821 B12R1.21 C[C@@H](N)CCc1ccc(O)cc1 Amb2699174 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.21 C[C@@H](N)COc1ccc(Br)cc1 Amb18036080 [0,2,0,0,0,0|2,0,0]=4 7823 B12R1.21 C[C@@H](N)COc1ccc(Cl)cc1 Amb18538520 [0,2,0,0,0,0|2,0,0]=4 7824 B12R1.21 C[C@@H](N)COc1ccc(F)cc1 Amb9127959 [0,2,0,0,0,0|2,0,0]=4 7825 B12R1.21 C[C@@H](N)COc1ccc(I)cc1 Amb35687590 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.21 C[C@@H](N)COc1ccc(N)cc1 Amb27815098 [0,2,0,0,0,0|2,0,0]=4 7827 B12R1.21 C[C@@H](N)COc1ccc(O)cc1 Amb27882724 [0,2,0,0,0,0|2,0,0]=4 7828 B12R1.21 C[C@@H](O)C#Cc1ccc(F)cc1 Amb27214167 [0,2,0,0,0,0|0,0,2]=4 7829 B12R1.21 C[C@@H](O)CCc1ccc(Br)cc1 Amb33118743 [0,2,0,0,0,0|0,0,0]=2 7830 B12R1.21 C[C@@H](O)CCc1ccc(Br)cn1 Amb33477150 [0,2,0,0,0,0|1,0,0]=3 7831 B12R1.21 C[C@@H](O)CCc1ccc(Br)nc1 Amb33388358 [0,2,0,0,0,0|1,0,0]=3 7832 B12R1.21 C[C@@H](O)CCc1ccc(Cl)cc1 Amb26323258 [0,2,0,0,0,0|0,0,0]=2 7833 B12R1.21 C[C@@H](O)CCc1ccc(Cl)nc1 Amb33261609 [0,2,0,0,0,0|1,0,0]=3 7834 B12R1.21 C[C@@H](O)CCc1ccc(F)cc1 Amb33376264 [0,2,0,0,0,0|0,0,0]=2 7835 B12R1.21 C[C@@H](O)CCc1ccc(F)cn1 Amb33316400 [0,2,0,0,0,0|1,0,0]=3 7836 B12R1.21 C[C@@H](O)CCc1ccc(F)nc1 Amb33426181 [0,2,0,0,0,0|1,0,0]=3 7837 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 Amb23604212 [0,2,0,0,0,0|0,0,0]=2 7838 B12R1.21 C[C@@H](O)CCc1ncc(Br)cn1 Amb33334744 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.21 C[C@@H](O)CNc1ccc(Br)cc1 Amb28244267 [0,2,0,0,0,0|1,0,0]=3 7840 B12R1.21 C[C@@H](O)CNc1ccc(Br)cn1 Amb27762086 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.21 C[C@@H](O)CNc1ccc(Cl)cc1 Amb27490489 [0,2,0,0,0,0|1,0,0]=3 7842 B12R1.21 C[C@@H](O)CNc1ccc(I)cc1 Amb27478276 [0,2,0,0,0,0|1,0,0]=3 7843 B12R1.21 C[C@@H](O)COc1ccc(Br)cc1 Amb28244311 [0,2,0,0,0,0|1,0,0]=3 7844 B12R1.21 C[C@@H](O)COc1ccc(Cl)cc1 Amb28242499 [0,2,0,0,0,0|1,0,0]=3 7845 B12R1.21 C[C@@H](O)COc1ccc(F)cc1 Amb22351329 [0,2,0,0,0,0|1,0,0]=3 7846 B12R1.21 C[C@@H](O)CSc1ccc(Br)cc1 Amb27257079 [0,2,0,0,0,0|1,0,0]=3 7847 B12R1.21 C[C@@H](O)CSc1ccc(Br)cn1 Amb28369161 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.21 C[C@@H](O)\C=C\c1ccc(F)cc1 Amb33474738 [0,2,0,0,0,0|0,0,2]=4 7849 B12R1.21 C[C@H](N)CCc1ccc(Br)cc1 Amb27648985 [0,2,0,0,0,0|1,0,0]=3 7850 B12R1.21 C[C@H](N)CCc1ccc(Br)cn1 Amb33477155 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.21 C[C@H](N)CCc1ccc(Br)nc1 Amb33388374 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.21 C[C@H](N)CCc1ccc(Cl)cc1 Amb24702508 [0,2,0,0,0,0|1,0,0]=3 7853 B12R1.21 C[C@H](N)CCc1ccc(Cl)nc1 Amb33261673 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.21 C[C@H](N)CCc1ccc(F)cc1 Amb24624091 [0,2,0,0,0,0|1,0,0]=3 7855 B12R1.21 C[C@H](N)CCc1ccc(F)cn1 Amb33316395 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.21 C[C@H](N)CCc1ccc(F)nc1 Amb33426178 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.21 C[C@H](N)CCc1ccc(O)cc1 Amb2699175 [0,2,0,0,0,0|1,0,0]=3 7858 B12R1.21 C[C@H](N)COc1ccc(I)cc1 Amb35687589 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.21 C[C@H](N)COc1ccc(O)cc1 Amb28119996 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.21 C[C@H](N)CSc1ccc(Br)cc1 Amb27453184 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.21 C[C@H](N)CSc1ccc(Cl)cc1 Amb27416370 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.21 C[C@H](N)CSc1ccc(F)cc1 Amb27416433 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.21 C[C@H](O)C#Cc1ccc(Cl)cc1 Amb27472763 [0,2,0,0,0,0|0,0,2]=4 7864 B12R1.21 C[C@H](O)CCc1ccc(Br)cc1 Amb33451473 [0,2,0,0,0,0|0,0,0]=2 7865 B12R1.21 C[C@H](O)CCc1ccc(Br)cn1 Amb33477146 [0,2,0,0,0,0|1,0,0]=3 7866 B12R1.21 C[C@H](O)CCc1ccc(Br)nc1 Amb33388361 [0,2,0,0,0,0|1,0,0]=3 7867 B12R1.21 C[C@H](O)CCc1ccc(Cl)cc1 Amb33052818 [0,2,0,0,0,0|0,0,0]=2 7868 B12R1.21 C[C@H](O)CCc1ccc(Cl)nc1 Amb33261606 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.21 C[C@H](O)CCc1ccc(F)cc1 Amb33376265 [0,2,0,0,0,0|0,0,0]=2 7870 B12R1.21 C[C@H](O)CCc1ccc(F)cn1 Amb33316401 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.21 C[C@H](O)CCc1ccc(F)nc1 Amb33426182 [0,2,0,0,0,0|1,0,0]=3 7872 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 Amb27433151 [0,2,0,0,0,0|0,0,0]=2 7873 B12R1.21 C[C@H](O)CCc1ncc(Br)cn1 Amb33334737 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.21 C[C@H](O)CNc1ccc(Br)cn1 Amb28283390 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.21 C[C@H](O)CNc1ccc(Cl)cc1 Amb27658434 [0,2,0,0,0,0|1,0,0]=3 7876 B12R1.21 C[C@H](O)CNc1ccc(Cl)cn1 Amb28316262 [0,2,0,0,0,0|2,0,0]=4 7877 B12R1.21 C[C@H](O)CNc1ccc(I)cc1 Amb27603771 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.21 C[C@H](O)COc1ccc(Cl)cc1 Amb28255397 [0,2,0,0,0,0|1,0,0]=3 7879 B12R1.21 C[C@H](O)COc1ccc(F)cc1 Amb22351296 [0,2,0,0,0,0|1,0,0]=3 7880 B12R1.21 C[C@H](O)\C=C\c1ccc(Br)cc1 Amb27495626 [0,2,0,0,0,0|0,0,2]=4 7881 B12R1.21 C[C@H](O)\C=C\c1ccc(F)cc1 Amb33080147 [0,2,0,0,0,0|0,0,2]=4 7882 B12R1.21 Cc1cc[n+](CCC(=O)O)cc1 Amb17098177 [0,2,0,0,0,0|1,0,1]=4 7883 B12R1.21 Cc1cc[n+](CCC(=O)O)cc1 Amb31127612 [0,2,0,0,0,0|1,0,1]=4 7884 B12R1.21 Cc1ccc(C#CC(C)O)cc1 Amb27240878 [0,2,0,0,0,0|0,0,2]=4 7885 B12R1.21 Cc1ccc(CCB(O)O)cc1 Amb26580701 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.21 Cc1ccc(CCC(=N)N)cc1 Amb18065466 [0,2,0,0,0,0|1,0,1]=4 7887 B12R1.21 Cc1ccc(CCC(=O)Cl)cc1 Amb17142993 [0,2,0,0,0,0|0,0,2]=4 7888 B12R1.21 Cc1ccc(CCC(=O)O)cc1 Amb1225383 [0,2,0,0,0,0|0,0,1]=3 7889 B12R1.21 Cc1ccc(CCC(=O)O)cn1 Amb18828437 [0,2,0,0,0,0|1,0,1]=4 7890 B12R1.21 Cc1ccc(CCC(=O)O)nc1 Amb22886574 [0,2,0,0,0,0|1,0,1]=4 7891 B12R1.21 Cc1ccc(CCC(C)Cl)nc1 Amb27858076 [0,2,0,0,0,0|2,0,0]=4 7892 B12R1.21 Cc1ccc(CCC(C)N)cc1 Amb5740106 [0,2,0,0,0,0|1,0,0]=3 7893 B12R1.21 Cc1ccc(CCC(C)N)cn1 Amb26037949 [0,2,0,0,0,0|2,0,0]=4 7894 B12R1.21 Cc1ccc(CCC(C)N)nc1 Amb25751617 [0,2,0,0,0,0|2,0,0]=4 7895 B12R1.21 Cc1ccc(CCC(C)O)cc1 Amb18800837 [0,2,0,0,0,0|0,0,0]=2 7896 B12R1.21 Cc1ccc(CCC(C)O)cn1 Amb26430952 [0,2,0,0,0,0|1,0,0]=3 7897 B12R1.21 Cc1ccc(CCC(C)O)nc1 Amb26977119 [0,2,0,0,0,0|1,0,0]=3 7898 B12R1.21 Cc1ccc(CCC(N)=O)cc1 Amb8998651 [0,2,0,0,0,0|0,0,2]=4 7899 B12R1.21 Cc1ccc(CCN(C)N)cc1 Amb18563653 [0,2,0,0,0,0|2,0,0]=4 7900 B12R1.21 Cc1ccc(CCS(=O)[O-])cc1 Amb32755031 [0,2,0,0,0,0|1,0,1]=4 7901 B12R1.21 Cc1ccc(CCS(C)=O)cc1 Amb16185126 [0,2,0,0,0,0|1,0,1]=4 7902 B12R1.21 Cc1ccc(CC[C@@H](C)N)cc1 Amb32953185 [0,2,0,0,0,0|1,0,0]=3 7903 B12R1.21 Cc1ccc(CC[C@@H](C)N)cn1 Amb32877844 [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.21 Cc1ccc(CC[C@@H](C)N)nc1 Amb33198471 [0,2,0,0,0,0|2,0,0]=4 7905 B12R1.21 Cc1ccc(CC[C@@H](C)O)cc1 Amb27472608 [0,2,0,0,0,0|0,0,0]=2 7906 B12R1.21 Cc1ccc(CC[C@@H](C)O)cn1 Amb32877845 [0,2,0,0,0,0|1,0,0]=3 7907 B12R1.21 Cc1ccc(CC[C@@H](C)O)nc1 Amb33226164 [0,2,0,0,0,0|1,0,0]=3 7908 B12R1.21 Cc1ccc(CC[C@H](C)N)cc1 Amb26518763 [0,2,0,0,0,0|1,0,0]=3 7909 B12R1.21 Cc1ccc(CC[C@H](C)N)cn1 Amb32878224 [0,2,0,0,0,0|2,0,0]=4 7910 B12R1.21 Cc1ccc(CC[C@H](C)N)nc1 Amb33198470 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.21 Cc1ccc(CC[C@H](C)O)cc1 Amb33373954 [0,2,0,0,0,0|0,0,0]=2 7912 B12R1.21 Cc1ccc(CC[C@H](C)O)cn1 Amb32877847 [0,2,0,0,0,0|1,0,0]=3 7913 B12R1.21 Cc1ccc(CC[C@H](C)O)nc1 Amb33198472 [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.21 Cc1ccc(CC[N+](=O)[O-])cc1 Amb17400178 [0,2,0,0,0,0|1,0,1]=4 7915 B12R1.21 Cc1ccc(CNC(C)C)cc1 Amb2118437 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.21 Cc1ccc(CNC(C)C)cc1 Amb6250810 [0,2,0,0,0,0|2,0,0]=4 7917 B12R1.21 Cc1ccc(CSC(C)C)cc1 Amb27835721 [0,2,0,0,0,0|2,0,0]=4 7918 B12R1.21 Cc1ccc(NCC(=O)O)cc1 Amb1106469 [0,2,0,0,0,0|1,0,1]=4 7919 B12R1.21 Cc1ccc(NCC(C)C)cc1 Amb32663758 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.21 Cc1ccc(NCC(C)C)cc1 Amb6700775 [0,2,0,0,0,0|2,0,0]=4 7921 B12R1.21 Cc1ccc(NCC(C)N)cc1 Amb22410806 [0,2,0,0,0,0|2,0,0]=4 7922 B12R1.21 Cc1ccc(NCC(C)O)cc1 Amb17138594 [0,2,0,0,0,0|1,0,0]=3 7923 B12R1.21 Cc1ccc(NCC(F)F)cc1 Amb16229928 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.21 Cc1ccc(NCC(O)O)cc1 Amb28385053 [0,2,0,0,0,0|1,0,0]=3 7925 B12R1.21 Cc1ccc(NC[C@H](C)O)cc1 Amb28342717 [0,2,0,0,0,0|1,0,0]=3 7926 B12R1.21 Cc1ccc(OCC(=O)O)cc1 Amb6336447 [0,2,0,0,0,0|1,0,1]=4 7927 B12R1.21 Cc1ccc(OCC(C)N)cc1 Amb9756349 [0,2,0,0,0,0|2,0,0]=4 7928 B12R1.21 Cc1ccc(OCC(C)O)nc1 Amb27752673 [0,2,0,0,0,0|2,0,0]=4 7929 B12R1.21 Cc1ccc(OCC(F)F)cc1 Amb27815990 [0,2,0,0,0,0|2,0,0]=4 7930 B12R1.21 Cc1ccc(OC[C@@H](C)N)cc1 Amb18538493 [0,2,0,0,0,0|2,0,0]=4 7931 B12R1.21 Cc1ccc(OC[C@H](C)O)cc1 Amb27177948 [0,2,0,0,0,0|1,0,0]=3 7932 B12R1.21 Cc1ccc(SCC(=O)O)cc1 Amb1197696 [0,2,0,0,0,0|1,0,1]=4 7933 B12R1.21 Cc1ccc(SCC(C)Cl)cc1 Amb27797299 [0,2,0,0,0,0|2,0,0]=4 7934 B12R1.21 Cc1ccc(SCC(C)N)cc1 Amb18564186 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.21 Cc1ccc(SCC(C)N)cc1 Amb21988435 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.21 Cc1ccc(SCC(C)O)cc1 Amb19054498 [0,2,0,0,0,0|1,0,0]=3 7937 B12R1.21 Cc1ccc(SC[C@@H](C)N)cc1 Amb27426658 [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.21 Cc1ccc(\C=C\C(C)O)cc1 Amb24707156 [0,2,0,0,0,0|0,0,2]=4 7939 B12R1.21 Cc1cnc(CCC(C)O)cn1 Amb30007659 [0,2,0,0,0,0|2,0,0]=4 7940 B12R1.21 Cc1cnc(CC[C@@H](C)O)cn1 Amb33374518 [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.21 Cc1cnc(CC[C@H](C)O)cn1 Amb33374519 [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.21 FC(F)COc1ccc(Cl)cc1 Amb27882556 [0,2,0,0,0,0|2,0,0]=4 7943 B12R1.21 FC(F)COc1ccc(I)cc1 Amb24056924 [0,2,0,0,0,0|2,0,0]=4 7944 B12R1.21 FC(F)CSc1ccc(Br)cc1 Amb28318349 [0,2,0,0,0,0|2,0,0]=4 7945 B12R1.21 FC(F)CSc1ccc(Cl)cc1 Amb28184796 [0,2,0,0,0,0|2,0,0]=4 7946 B12R1.21 FC(F)SCc1ccc(Cl)cc1 Amb26500994 [0,2,0,0,0,0|2,0,0]=4 7947 B12R1.21 Fc1ccc(NCC(F)F)cc1 Amb18795535 [0,2,0,0,0,0|2,0,0]=4 7948 B12R1.21 Fc1ccc(OCC(F)F)cc1 Amb28071875 [0,2,0,0,0,0|2,0,0]=4 7949 B12R1.21 Fc1ccc(SCC(F)F)cc1 Amb27178604 [0,2,0,0,0,0|2,0,0]=4 7950 B12R1.21 N=C(N)CCc1ccc(Br)cc1 Amb18571448 [0,2,0,0,0,0|1,0,1]=4 7951 B12R1.21 N=C(N)CCc1ccc(Cl)cc1 Amb18564231 [0,2,0,0,0,0|1,0,1]=4 7952 B12R1.21 N=C(N)CCc1ccc(Cl)cc1 Amb33465354 [0,2,0,0,0,0|1,0,1]=4 7953 B12R1.21 N=C(N)CCc1ccc(F)cc1 Amb18563719 [0,2,0,0,0,0|1,0,1]=4 7954 B12R1.21 N=C(N)CCc1ccc(O)cc1 Amb13883011 [0,2,0,0,0,0|1,0,1]=4 7955 B12R1.21 N=C(N)CCc1ccc(O)cc1 Amb2696225 [0,2,0,0,0,0|1,0,1]=4 7956 B12R1.21 NC(=O)CCc1ccc(Br)cc1 Amb17407065 [0,2,0,0,0,0|0,0,2]=4 7957 B12R1.21 NC(=O)CCc1ccc(Cl)cc1 Amb17142998 [0,2,0,0,0,0|0,0,2]=4 7958 B12R1.21 NC(=O)CCc1ccc(F)cc1 Amb33545740 [0,2,0,0,0,0|0,0,2]=4 7959 B12R1.21 NC(=O)CCc1ccc(N)cc1 Amb8941624 [0,2,0,0,0,0|0,0,2]=4 7960 B12R1.21 NC(=O)CCc1ccc(O)cc1 Amb3939533 [0,2,0,0,0,0|0,0,2]=4 7961 B12R1.21 NC(=S)CCc1ccc(Br)cc1 Amb17256980 [0,2,0,0,0,0|0,1,1]=4 7962 B12R1.21 NC(=S)CCc1ccc(F)cc1 Amb17234011 [0,2,0,0,0,0|0,1,1]=4 7963 B12R1.21 Nc1ccc(CCC(=O)O)cc1 Amb30588024 [0,2,0,0,0,0|0,0,1]=3 7964 B12R1.21 Nc1ccc(CCC(=O)O)cc1 Amb6315800 [0,2,0,0,0,0|0,0,1]=3 7965 B12R1.21 Nc1ccc(CCC(=O)O)cn1 Amb19958679 [0,2,0,0,0,0|1,0,1]=4 7966 B12R1.21 Nc1ccc(CCC(=O)O)cn1 Amb22546430 [0,2,0,0,0,0|1,0,1]=4 7967 B12R1.21 Nc1ccc(CCC(=O)O)nc1 Amb24663664 [0,2,0,0,0,0|1,0,1]=4 7968 B12R1.21 Nc1ccc(CCC(F)F)cc1 Amb27481936 [0,2,0,0,0,0|1,0,0]=3 7969 B12R1.21 Nc1ccc(CC[N+](=O)[O-])cc1 Amb24406773 [0,2,0,0,0,0|1,0,1]=4 7970 B12R1.21 Nc1ccc(NCC(=O)O)cc1 Amb18296058 [0,2,0,0,0,0|1,0,1]=4 7971 B12R1.21 Nc1ccc(OCC(=O)O)cc1 Amb1034889 [0,2,0,0,0,0|1,0,1]=4 7972 B12R1.21 Nc1ccc(OCC(=O)O)cc1 Amb2608856 [0,2,0,0,0,0|1,0,1]=4 7973 B12R1.21 Nc1ccc(OCC(F)F)cc1 Amb22280478 [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.21 Nc1ccc(OCC(F)F)cc1 Amb6890876 [0,2,0,0,0,0|2,0,0]=4 7975 B12R1.21 Nc1ccc(SCC(=O)O)cc1 Amb2684510 [0,2,0,0,0,0|1,0,1]=4 7976 B12R1.21 Nc1ccc(SCC(F)F)cc1 Amb19060393 [0,2,0,0,0,0|2,0,0]=4 7977 B12R1.21 O=C(Cl)CCc1ccc(Br)cc1 Amb28240937 [0,2,0,0,0,0|0,0,2]=4 7978 B12R1.21 O=C(Cl)CCc1ccc(Cl)cc1 Amb17143273 [0,2,0,0,0,0|0,0,2]=4 7979 B12R1.21 O=C(Cl)CCc1ccc(F)cc1 Amb23440824 [0,2,0,0,0,0|0,0,2]=4 7980 B12R1.21 O=C(Cl)CCc1ccc(I)cc1 Amb27973226 [0,2,0,0,0,0|0,0,2]=4 7981 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb25980784 [0,2,0,0,0,0|1,0,1]=4 7982 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb28600252 [0,2,0,0,0,0|1,0,1]=4 7983 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb32757591 [0,2,0,0,0,0|1,0,1]=4 7984 B12R1.21 O=C(O)CC[n+]1ccc(F)cc1 Amb27259679 [0,2,0,0,0,0|1,0,1]=4 7985 B12R1.21 O=C(O)CCc1ccc(Br)cc1 Amb1220330 [0,2,0,0,0,0|0,0,1]=3 7986 B12R1.21 O=C(O)CCc1ccc(Br)cn1 Amb28323137 [0,2,0,0,0,0|1,0,1]=4 7987 B12R1.21 O=C(O)CCc1ccc(Br)nc1 Amb22292277 [0,2,0,0,0,0|1,0,1]=4 7988 B12R1.21 O=C(O)CCc1ccc(Cl)cc1 Amb1093991 [0,2,0,0,0,0|0,0,1]=3 7989 B12R1.21 O=C(O)CCc1ccc(Cl)cn1 Amb26633045 [0,2,0,0,0,0|1,0,1]=4 7990 B12R1.21 O=C(O)CCc1ccc(Cl)nc1 Amb18649204 [0,2,0,0,0,0|1,0,1]=4 7991 B12R1.21 O=C(O)CCc1ccc(Cl)nc1 Amb28555773 [0,2,0,0,0,0|1,0,1]=4 7992 B12R1.21 O=C(O)CCc1ccc(F)cc1 Amb1214879 [0,2,0,0,0,0|0,0,1]=3 7993 B12R1.21 O=C(O)CCc1ccc(F)cn1 Amb26927594 [0,2,0,0,0,0|1,0,1]=4 7994 B12R1.21 O=C(O)CCc1ccc(F)cn1 Amb33620714 [0,2,0,0,0,0|1,0,1]=4 7995 B12R1.21 O=C(O)CCc1ccc(F)nc1 Amb22886575 [0,2,0,0,0,0|1,0,1]=4 7996 B12R1.21 O=C(O)CCc1ccc(I)cc1 Amb6297807 [0,2,0,0,0,0|0,0,1]=3 7997 B12R1.21 O=C(O)CCc1ccc(O)cc1 Amb533172 [0,2,0,0,0,0|0,0,1]=3 7998 B12R1.21 O=C(O)CCc1ccc(S)cc1 Amb6296145 [0,2,0,0,0,0|0,0,1]=3 7999 B12R1.21 O=C(O)CNc1ccc(Br)cc1 Amb1981434 [0,2,0,0,0,0|1,0,1]=4 8000 B12R1.21 O=C(O)CNc1ccc(Cl)cc1 Amb1486152 [0,2,0,0,0,0|1,0,1]=4 8001 B12R1.21 O=C(O)CNc1ccc(F)cc1 Amb840523 [0,2,0,0,0,0|1,0,1]=4 8002 B12R1.21 O=C(O)CNc1ccc(I)cc1 Amb4598598 [0,2,0,0,0,0|1,0,1]=4 8003 B12R1.21 O=C(O)CNc1ccc(O)cc1 Amb1950558 [0,2,0,0,0,0|1,0,1]=4 8004 B12R1.21 O=C(O)COc1ccc(Br)cc1 Amb6336449 [0,2,0,0,0,0|1,0,1]=4 8005 B12R1.21 O=C(O)COc1ccc(Cl)cc1 Amb1830178 [0,2,0,0,0,0|1,0,1]=4 8006 B12R1.21 O=C(O)COc1ccc(F)cc1 Amb1210357 [0,2,0,0,0,0|1,0,1]=4 8007 B12R1.21 O=C(O)COc1ccc(I)cc1 Amb1152251 [0,2,0,0,0,0|1,0,1]=4 8008 B12R1.21 O=C(O)COc1ccc(O)cc1 Amb2819510 [0,2,0,0,0,0|1,0,1]=4 8009 B12R1.21 O=C(O)CSc1ccc(Br)cc1 Amb1208368 [0,2,0,0,0,0|1,0,1]=4 8010 B12R1.21 O=C(O)CSc1ccc(Cl)cc1 Amb6335201 [0,2,0,0,0,0|1,0,1]=4 8011 B12R1.21 O=C(O)CSc1ccc(F)cc1 Amb1209262 [0,2,0,0,0,0|1,0,1]=4 8012 B12R1.21 O=C(O)CSc1ccc(O)cc1 Amb18291566 [0,2,0,0,0,0|1,0,1]=4 8013 B12R1.21 O=C([O-])CCc1ccc(F)cc1 Amb33513062 [0,2,0,0,0,0|0,0,2]=4 8014 B12R1.21 O=C1C=CC(=NCC(=O)O)C=C1 Amb26847942 [0,2,0,0,0,0|1,0,1]=4 8015 B12R1.21 O=C1C=CN(CCC(=O)O)C=C1 Amb18534262 [0,2,0,0,0,0|1,0,1]=4 8016 B12R1.21 O=S([O-])CCc1ccc(Cl)cc1 Amb32755579 [0,2,0,0,0,0|1,0,1]=4 8017 B12R1.21 O=S([O-])CCc1ccc(F)cc1 Amb32755446 [0,2,0,0,0,0|1,0,1]=4 8018 B12R1.21 O=[N+]([O-])CCc1ccc(Br)cc1 Amb6297629 [0,2,0,0,0,0|1,0,1]=4 8019 B12R1.21 O=[N+]([O-])CCc1ccc(Cl)cc1 Amb6298188 [0,2,0,0,0,0|1,0,1]=4 8020 B12R1.21 O=[N+]([O-])CCc1ccc(F)cc1 Amb18542361 [0,2,0,0,0,0|1,0,1]=4 8021 B12R1.21 O=[N+]([O-])CCc1ccc(O)cc1 Amb27960305 [0,2,0,0,0,0|1,0,1]=4 8022 B12R1.21 OB(O)CCc1ccc(F)cc1 Amb25149900 [0,2,0,0,0,0|1,0,0]=3 8023 B12R1.21 Oc1ccc(OCC(F)F)cc1 Amb18795190 [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.49 C#CC(Cl)Cc1ccc(Cl)cc1 Amb27637707 [0,2,0,0,0,0|1,0,1]=4 8025 B12R1.49 C#CC(N)Cc1ccc(Cl)cc1 Amb27663217 [0,2,0,0,0,0|1,0,1]=4 8026 B12R1.49 C#CC(O)Cc1ccc(F)cc1 Amb27435476 [0,2,0,0,0,0|1,0,1]=4 8027 B12R1.49 C#CC(O)Cc1ccc(N)cc1 Amb30024122 [0,2,0,0,0,0|1,0,1]=4 8028 B12R1.49 C=C(CO)Cc1ccc(Cl)cc1 Amb28249107 [0,2,0,0,0,0|0,0,1]=3 8029 B12R1.49 C=C(CO)Sc1ccc(C)cc1 Amb27451952 [0,2,0,0,0,0|1,0,1]=4 8030 B12R1.49 C=CC(Cl)Cc1ccc(Br)cc1 Amb27178578 [0,2,0,0,0,0|1,0,1]=4 8031 B12R1.49 C=CC(N)Cc1ccc(C)cc1 Amb28197514 [0,2,0,0,0,0|1,0,1]=4 8032 B12R1.49 C=CC(O)Cc1ccc(N)cc1 Amb35588601 [0,2,0,0,0,0|1,0,1]=4 8033 B12R1.49 CC(C#N)Cc1ccc(Br)cc1 Amb24540446 [0,2,0,0,0,0|1,0,1]=4 8034 B12R1.49 CC(C#N)Cc1ccc(Cl)cc1 Amb28136200 [0,2,0,0,0,0|1,0,1]=4 8035 B12R1.49 CC(C#N)Cc1ccc(F)cc1 Amb25050633 [0,2,0,0,0,0|1,0,1]=4 8036 B12R1.49 CC(C#N)Cc1ccc(O)cc1 Amb4020113 [0,2,0,0,0,0|1,0,1]=4 8037 B12R1.49 CC(C=O)Cc1ccc(Br)cc1 Amb25060263 [0,2,0,0,0,0|0,0,2]=4 8038 B12R1.49 CC(C=O)Cc1ccc(Cl)cc1 Amb18648716 [0,2,0,0,0,0|0,0,2]=4 8039 B12R1.49 CC(C=O)Cc1ccc(F)cc1 Amb26011993 [0,2,0,0,0,0|0,0,2]=4 8040 B12R1.49 CC(C=O)Cc1ccc(I)cc1 Amb28187361 [0,2,0,0,0,0|0,0,2]=4 8041 B12R1.49 CC(C=O)Cc1ccc(N)cc1 Amb27398345 [0,2,0,0,0,0|0,0,2]=4 8042 B12R1.49 CC(CBr)CN1C=CC(=O)C=C1 Amb27235073 [0,2,0,0,0,0|2,0,0]=4 8043 B12R1.49 CC(CBr)Cc1ccc(Br)cc1 Amb25366059 [0,2,0,0,0,0|1,0,0]=3 8044 B12R1.49 CC(CBr)Cc1ccc(Br)cn1 Amb26375826 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.49 CC(CBr)Cc1ccc(Cl)cc1 Amb25874244 [0,2,0,0,0,0|1,0,0]=3 8046 B12R1.49 CC(CBr)Cc1ccc(Cl)cn1 Amb32690846 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.49 CC(CBr)Cc1ccc(F)cc1 Amb25115291 [0,2,0,0,0,0|1,0,0]=3 8048 B12R1.49 CC(CBr)Cc1ccc(I)cc1 Amb26510549 [0,2,0,0,0,0|1,0,0]=3 8049 B12R1.49 CC(CBr)Cc1ccc(O)cc1 Amb25892811 [0,2,0,0,0,0|1,0,0]=3 8050 B12R1.49 CC(CBr)Oc1ccc(Cl)cc1 Amb17261131 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.49 CC(CBr)Oc1ccc(F)cc1 Amb17250551 [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.49 CC(CCl)Cc1ccc(Br)cc1 Amb27956125 [0,2,0,0,0,0|1,0,0]=3 8053 B12R1.49 CC(CCl)Cc1ccc(Br)cn1 Amb27666295 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.49 CC(CCl)Cc1ccc(Cl)cc1 Amb26841031 [0,2,0,0,0,0|1,0,0]=3 8055 B12R1.49 CC(CCl)Cc1ccc(Cl)cn1 Amb32690845 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.49 CC(CCl)Cc1ccc(F)cc1 Amb27669774 [0,2,0,0,0,0|1,0,0]=3 8057 B12R1.49 CC(CCl)Cc1ccc(I)cc1 Amb26040389 [0,2,0,0,0,0|1,0,0]=3 8058 B12R1.49 CC(CCl)Cc1ccc(O)cc1 Amb25892809 [0,2,0,0,0,0|1,0,0]=3 8059 B12R1.49 CC(CCl)Oc1ccc(Br)cc1 Amb17261134 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.49 CC(CCl)Oc1ccc(Cl)cc1 Amb17238291 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.49 CC(CCl)Oc1ccc(F)cc1 Amb17234615 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.49 CC(CN)Cc1ccc(Br)cn1 Amb27452127 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.49 CC(CN)Cc1ccc(Cl)cc1 Amb5743848 [0,2,0,0,0,0|1,0,0]=3 8064 B12R1.49 CC(CN)Cc1ccc(F)cc1 Amb5743841 [0,2,0,0,0,0|1,0,0]=3 8065 B12R1.49 CC(CN)Cc1ccc(F)nc1 Amb33733418 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.49 CC(CN)Nc1ccc(Cl)cc1 Amb18909433 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.49 CC(CN)Nc1ccc(F)cc1 Amb18908738 [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.49 CC(CN)Nc1ccc(I)cc1 Amb28322506 [0,2,0,0,0,0|2,0,0]=4 8069 B12R1.49 CC(CN)Nc1ccc(O)cc1 Amb27614615 [0,2,0,0,0,0|2,0,0]=4 8070 B12R1.49 CC(CN)Oc1ccc(Br)cc1 Amb33530518 [0,2,0,0,0,0|2,0,0]=4 8071 B12R1.49 CC(CN)Oc1ccc(Cl)cc1 Amb32666107 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.49 CC(CN)Oc1ccc(Cl)cc1 Amb33530519 [0,2,0,0,0,0|2,0,0]=4 8073 B12R1.49 CC(CN)Oc1ccc(F)cc1 Amb2089060 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.49 CC(CN)Oc1ccc(F)cc1 Amb3938898 [0,2,0,0,0,0|2,0,0]=4 8075 B12R1.49 CC(CN)Sc1ccc(Br)cc1 Amb18992812 [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.49 CC(CN)Sc1ccc(Br)cc1 Amb19350751 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.49 CC(CN)Sc1ccc(Cl)cc1 Amb17485977 [0,2,0,0,0,0|2,0,0]=4 8078 B12R1.49 CC(CN)Sc1ccc(Cl)cc1 Amb32662227 [0,2,0,0,0,0|2,0,0]=4 8079 B12R1.49 CC(CN)Sc1ccc(F)cc1 Amb18992823 [0,2,0,0,0,0|2,0,0]=4 8080 B12R1.49 CC(CN)Sc1ccc(F)cc1 Amb32662234 [0,2,0,0,0,0|2,0,0]=4 8081 B12R1.49 CC(CO)Cc1ccc(Br)cc1 Amb27794524 [0,2,0,0,0,0|0,0,0]=2 8082 B12R1.49 CC(CO)Cc1ccc(Cl)cc1 Amb26398800 [0,2,0,0,0,0|0,0,0]=2 8083 B12R1.49 CC(CO)Cc1ccc(F)cc1 Amb26963530 [0,2,0,0,0,0|0,0,0]=2 8084 B12R1.49 CC(CO)Cc1ccc(F)nc1 Amb33749639 [0,2,0,0,0,0|1,0,0]=3 8085 B12R1.49 CC(CO)Nc1ccc(Br)cn1 Amb9360478 [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.49 CC(CO)Nc1ccc(Br)nc1 Amb27163924 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.49 CC(CO)Nc1ccc(Cl)cc1 Amb18290161 [0,2,0,0,0,0|1,0,0]=3 8088 B12R1.49 CC(CO)Nc1ccc(N)cc1 Amb9359036 [0,2,0,0,0,0|1,0,0]=3 8089 B12R1.49 CC(CO)Oc1ccc(Br)cc1 Amb17249278 [0,2,0,0,0,0|1,0,0]=3 8090 B12R1.49 CC(CO)Oc1ccc(Cl)cc1 Amb17234358 [0,2,0,0,0,0|1,0,0]=3 8091 B12R1.49 CC(CO)Oc1ccc(F)cc1 Amb17232741 [0,2,0,0,0,0|1,0,0]=3 8092 B12R1.49 CC(CO)Oc1ccc(I)cc1 Amb24379893 [0,2,0,0,0,0|1,0,0]=3 8093 B12R1.49 CC(CO)Oc1ccc(N)cc1 Amb27973348 [0,2,0,0,0,0|1,0,0]=3 8094 B12R1.49 CC(CO)Sc1ccc(Br)cc1 Amb23449854 [0,2,0,0,0,0|1,0,0]=3 8095 B12R1.49 CC(CO)Sc1ccc(O)cc1 Amb27272964 [0,2,0,0,0,0|1,0,0]=3 8096 B12R1.49 CC(Cc1ccc(Br)cc1)NN Amb27832297 [0,2,0,0,0,0|2,0,0]=4 8097 B12R1.49 CC(Cc1ccc(Cl)cc1)NO Amb27751580 [0,2,0,0,0,0|1,0,0]=3 8098 B12R1.49 CC(Cc1ccc(F)cc1)NO Amb28255996 [0,2,0,0,0,0|1,0,0]=3 8099 B12R1.49 CCC(=O)Cc1ccc(Br)cc1 Amb17477612 [0,2,0,0,0,0|1,0,1]=4 8100 B12R1.49 CCC(=O)Cc1ccc(C)cc1 Amb33534983 [0,2,0,0,0,0|1,0,1]=4 8101 B12R1.49 CCC(=O)Cc1ccc(Cl)cc1 Amb17139038 [0,2,0,0,0,0|1,0,1]=4 8102 B12R1.49 CCC(=O)Cc1ccc(F)cc1 Amb17138600 [0,2,0,0,0,0|1,0,1]=4 8103 B12R1.49 CCC(=O)Cc1ccc(I)cc1 Amb25229794 [0,2,0,0,0,0|1,0,1]=4 8104 B12R1.49 CCC(C)Nc1ccc(Br)cc1 Amb6696561 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.49 CCC(C)Nc1ccc(C)cc1 Amb6700867 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.49 CCC(C)Nc1ccc(Cl)cc1 Amb6695985 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.49 CCC(C)Nc1ccc(F)cc1 Amb6696817 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.49 CCC(C)Nc1ccc(N)cc1 Amb7767483 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.49 CCC(C)Oc1ccc(Br)cc1 Amb6740546 [0,2,0,0,0,0|2,0,0]=4 8110 B12R1.49 CCC(C)Oc1ccc(Cl)cc1 Amb8629128 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.49 CCC(C)Oc1ccc(I)cc1 Amb27753794 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.49 CCC(C)Oc1ccc(N)cc1 Amb9702228 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.49 CCC(C)Oc1ccc(O)cc1 Amb8837279 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.49 CCC(Cl)Cc1ccc(C)cc1 Amb17477426 [0,2,0,0,0,0|1,0,0]=3 8115 B12R1.49 CCC(Cl)Cc1ccc(C)cn1 Amb27172547 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.49 CCC(N)Cc1ccc(Br)cc1 Amb28555695 [0,2,0,0,0,0|1,0,0]=3 8117 B12R1.49 CCC(N)Cc1ccc(Br)cc1 Amb9428935 [0,2,0,0,0,0|1,0,0]=3 8118 B12R1.49 CCC(N)Cc1ccc(Br)nc1 Amb27195391 [0,2,0,0,0,0|2,0,0]=4 8119 B12R1.49 CCC(N)Cc1ccc(C)cc1 Amb9428909 [0,2,0,0,0,0|1,0,0]=3 8120 B12R1.49 CCC(N)Cc1ccc(Cl)cc1 Amb19374189 [0,2,0,0,0,0|1,0,0]=3 8121 B12R1.49 CCC(N)Cc1ccc(Cl)cc1 Amb9428934 [0,2,0,0,0,0|1,0,0]=3 8122 B12R1.49 CCC(N)Cc1ccc(Cl)nc1 Amb25992463 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.49 CCC(N)Cc1ccc(F)cc1 Amb28555694 [0,2,0,0,0,0|1,0,0]=3 8124 B12R1.49 CCC(N)Cc1ccc(F)cc1 Amb9428931 [0,2,0,0,0,0|1,0,0]=3 8125 B12R1.49 CCC(N)Cc1ccc(I)cc1 Amb24711014 [0,2,0,0,0,0|1,0,0]=3 8126 B12R1.49 CCC(N)Cc1ccc(O)cc1 Amb33552371 [0,2,0,0,0,0|1,0,0]=3 8127 B12R1.49 CCC(N)Cc1ccc(O)cc1 Amb9428939 [0,2,0,0,0,0|1,0,0]=3 8128 B12R1.49 CCC(N)Cc1ccc(O)cn1 Amb27765960 [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.49 CCC(N)Cc1ccc(O)nc1 Amb28046896 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.49 CCC(O)Cc1ccc(Br)cc1 Amb17477579 [0,2,0,0,0,0|1,0,0]=3 8131 B12R1.49 CCC(O)Cc1ccc(Br)cn1 Amb28455480 [0,2,0,0,0,0|2,0,0]=4 8132 B12R1.49 CCC(O)Cc1ccc(C)cc1 Amb17138583 [0,2,0,0,0,0|1,0,0]=3 8133 B12R1.49 CCC(O)Cc1ccc(Cl)cc1 Amb17139103 [0,2,0,0,0,0|1,0,0]=3 8134 B12R1.49 CCC(O)Cc1ccc(F)cc1 Amb17138637 [0,2,0,0,0,0|1,0,0]=3 8135 B12R1.49 CCC(O)Cc1ccc(N)cc1 Amb35588641 [0,2,0,0,0,0|1,0,0]=3 8136 B12R1.49 CCC(O)Cc1ccc(O)cc1 Amb28239277 [0,2,0,0,0,0|1,0,0]=3 8137 B12R1.49 CCC(O)Sc1ccc(C)cc1 Amb22228345 [0,2,0,0,0,0|2,0,0]=4 8138 B12R1.49 CCN(C)Cc1ccc(C)cc1 Amb28316304 [0,2,0,0,0,0|2,0,0]=4 8139 B12R1.49 CCN(C)Cc1ccc(N)cc1 Amb20622466 [0,2,0,0,0,0|2,0,0]=4 8140 B12R1.49 CCN(C)Cc1ccc(N)cc1 Amb8890384 [0,2,0,0,0,0|2,0,0]=4 8141 B12R1.49 CCN(C)Cc1ccc(O)cc1 Amb27198412 [0,2,0,0,0,0|2,0,0]=4 8142 B12R1.49 CCS(=O)Cc1ccc(Cl)cc1 Amb27255897 [0,2,0,0,0,0|2,0,0]=4 8143 B12R1.49 CC[C@@H](C)Cc1ccc(O)cc1 Amb27806960 [0,2,0,0,0,0|1,0,0]=3 8144 B12R1.49 CC[C@@H](N)Cc1ccc(Br)cc1 Amb27830392 [0,2,0,0,0,0|1,0,0]=3 8145 B12R1.49 CC[C@H](C)Cc1ccc(N)cc1 Amb27411906 [0,2,0,0,0,0|1,0,0]=3 8146 B12R1.49 CC[C@H](C)Cc1ccc(O)cc1 Amb27267991 [0,2,0,0,0,0|1,0,0]=3 8147 B12R1.49 CC[C@H](N)Cc1ccc(Br)cc1 Amb27840450 [0,2,0,0,0,0|1,0,0]=3 8148 B12R1.49 CC[C@H](N)Cc1ccc(C)cc1 Amb28203344 [0,2,0,0,0,0|1,0,0]=3 8149 B12R1.49 CNC(C)Cc1ccc(C)cc1 Amb5735453 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.49 CNC(C)Cc1ccc(Cl)cc1 Amb5735461 [0,2,0,0,0,0|2,0,0]=4 8151 B12R1.49 CNC(C)Cc1ccc(F)cc1 Amb22055302 [0,2,0,0,0,0|2,0,0]=4 8152 B12R1.49 CNC(C)Cc1ccc(F)cc1 Amb33535054 [0,2,0,0,0,0|2,0,0]=4 8153 B12R1.49 CNC(C)Cc1ccc(I)cc1 Amb27270762 [0,2,0,0,0,0|2,0,0]=4 8154 B12R1.49 CNC(C)Cc1ccc(N)cc1 Amb18050449 [0,2,0,0,0,0|2,0,0]=4 8155 B12R1.49 CNC(C)Cc1ccc(O)cc1 Amb33513044 [0,2,0,0,0,0|2,0,0]=4 8156 B12R1.49 CN[C@@H](C)Cc1ccc(C)cc1 Amb28121130 [0,2,0,0,0,0|2,0,0]=4 8157 B12R1.49 C[C@@H](CN)Cc1ccc(F)cc1 Amb33738467 [0,2,0,0,0,0|1,0,0]=3 8158 B12R1.49 C[C@@H](CN)Cc1ccc(F)nc1 Amb33744964 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.49 C[C@@H](CN)Oc1ccc(Br)cc1 Amb27633164 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.49 C[C@@H](CN)Oc1ccc(Cl)cc1 Amb28600276 [0,2,0,0,0,0|2,0,0]=4 8161 B12R1.49 C[C@@H](CO)Cc1ccc(F)cc1 Amb27150747 [0,2,0,0,0,0|0,0,0]=2 8162 B12R1.49 C[C@@H](CO)Cc1ccc(F)nc1 Amb33738954 [0,2,0,0,0,0|1,0,0]=3 8163 B12R1.49 C[C@@H](CO)Nc1ccc(Br)cn1 Amb25369644 [0,2,0,0,0,0|2,0,0]=4 8164 B12R1.49 C[C@@H](CO)Nc1ccc(N)cn1 Amb27477782 [0,2,0,0,0,0|2,0,0]=4 8165 B12R1.49 C[C@@H](CO)Oc1ccc(Cl)cc1 Amb25179930 [0,2,0,0,0,0|1,0,0]=3 8166 B12R1.49 C[C@H](CN)Cc1ccc(F)cc1 Amb33737554 [0,2,0,0,0,0|1,0,0]=3 8167 B12R1.49 C[C@H](CN)Cc1ccc(F)nc1 Amb33727005 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.49 C[C@H](CO)Cc1ccc(F)cc1 Amb24387764 [0,2,0,0,0,0|0,0,0]=2 8169 B12R1.49 C[C@H](CO)Cc1ccc(F)nc1 Amb33748168 [0,2,0,0,0,0|1,0,0]=3 8170 B12R1.49 C\C(=C\c1ccc(O)cc1)CO Amb27490394 [0,2,0,0,0,0|0,0,2]=4 8171 B12R1.49 C\C(Cc1ccc(Br)cc1)=N/O Amb6297502 [0,2,0,0,0,0|1,0,1]=4 8172 B12R1.49 C\C(Cc1ccc(C)cc1)=N/O Amb26315441 [0,2,0,0,0,0|1,0,1]=4 8173 B12R1.49 C\C(Cc1ccc(Cl)cc1)=N/O Amb6297503 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.49 C\C(Cc1ccc(F)cc1)=N/O Amb6296338 [0,2,0,0,0,0|1,0,1]=4 8175 B12R1.49 C\C(Cc1ccc(I)cc1)=N/O Amb28207885 [0,2,0,0,0,0|1,0,1]=4 8176 B12R1.49 Cc1ccc(CC(=O)CBr)cc1 Amb27794454 [0,2,0,0,0,0|1,0,1]=4 8177 B12R1.49 Cc1ccc(CC(=O)CCl)cc1 Amb6259210 [0,2,0,0,0,0|1,0,1]=4 8178 B12R1.49 Cc1ccc(CC(=O)CN)cc1 Amb18829243 [0,2,0,0,0,0|1,0,1]=4 8179 B12R1.49 Cc1ccc(CC(=O)CO)cc1 Amb18563613 [0,2,0,0,0,0|0,0,1]=3 8180 B12R1.49 Cc1ccc(CC(=O)NO)cc1 Amb8841271 [0,2,0,0,0,0|1,0,1]=4 8181 B12R1.49 Cc1ccc(CC(Br)C#N)cc1 Amb1655469 [0,2,0,0,0,0|1,0,1]=4 8182 B12R1.49 Cc1ccc(CC(C)C#N)cc1 Amb27411548 [0,2,0,0,0,0|1,0,1]=4 8183 B12R1.49 Cc1ccc(CC(C)C=O)cc1 Amb18645702 [0,2,0,0,0,0|0,0,2]=4 8184 B12R1.49 Cc1ccc(CC(C)CBr)cc1 Amb25152481 [0,2,0,0,0,0|1,0,0]=3 8185 B12R1.49 Cc1ccc(CC(C)CCl)cc1 Amb24390124 [0,2,0,0,0,0|1,0,0]=3 8186 B12R1.49 Cc1ccc(CC(C)CN)cc1 Amb5743839 [0,2,0,0,0,0|1,0,0]=3 8187 B12R1.49 Cc1ccc(CC(C)CO)cc1 Amb24354502 [0,2,0,0,0,0|0,0,0]=2 8188 B12R1.49 Cc1ccc(CC(C)CO)cn1 Amb28341927 [0,2,0,0,0,0|1,0,0]=3 8189 B12R1.49 Cc1ccc(CC(C)NO)cc1 Amb27602730 [0,2,0,0,0,0|1,0,0]=3 8190 B12R1.49 Cc1ccc(CC(Cl)C#N)cc1 Amb17204321 [0,2,0,0,0,0|1,0,1]=4 8191 B12R1.49 Cc1ccc(CC(Cl)C=O)cc1 Amb17204328 [0,2,0,0,0,0|0,0,2]=4 8192 B12R1.49 Cc1ccc(CC(Cl)CO)cc1 Amb28365747 [0,2,0,0,0,0|0,0,0]=2 8193 B12R1.49 Cc1ccc(CC(N)C#N)cc1 Amb27879147 [0,2,0,0,0,0|1,0,1]=4 8194 B12R1.49 Cc1ccc(CC(N)CN)cc1 Amb26983073 [0,2,0,0,0,0|1,0,0]=3 8195 B12R1.49 Cc1ccc(CC(N)CN)cc1 Amb32684625 [0,2,0,0,0,0|1,0,0]=3 8196 B12R1.49 Cc1ccc(CC(N)CO)cc1 Amb17062687 [0,2,0,0,0,0|0,0,0]=2 8197 B12R1.49 Cc1ccc(CC(N)CO)cc1 Amb28872400 [0,2,0,0,0,0|0,0,0]=2 8198 B12R1.49 Cc1ccc(CC(N)CO)cn1 Amb32879680 [0,2,0,0,0,0|1,0,0]=3 8199 B12R1.49 Cc1ccc(CC(N)CO)nc1 Amb33198853 [0,2,0,0,0,0|1,0,0]=3 8200 B12R1.49 Cc1ccc(CC(O)CCl)cc1 Amb4035233 [0,2,0,0,0,0|1,0,0]=3 8201 B12R1.49 Cc1ccc(CC(O)CN)cc1 Amb17232550 [0,2,0,0,0,0|1,0,0]=3 8202 B12R1.49 Cc1ccc(CC(O)CN)cn1 Amb32877434 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.49 Cc1ccc(CC(O)CN)nc1 Amb33198097 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.49 Cc1ccc(CC(O)CO)cc1 Amb27840444 [0,2,0,0,0,0|0,0,0]=2 8205 B12R1.49 Cc1ccc(C[C@@H](C)CN)cc1 Amb33732141 [0,2,0,0,0,0|1,0,0]=3 8206 B12R1.49 Cc1ccc(C[C@@H](C)CO)cc1 Amb25687834 [0,2,0,0,0,0|0,0,0]=2 8207 B12R1.49 Cc1ccc(C[C@@H](O)CO)cc1 Amb27458003 [0,2,0,0,0,0|0,0,0]=2 8208 B12R1.49 Cc1ccc(C[C@H](C)CN)cc1 Amb33737241 [0,2,0,0,0,0|1,0,0]=3 8209 B12R1.49 Cc1ccc(C[C@H](C)CO)cc1 Amb25221031 [0,2,0,0,0,0|0,0,0]=2 8210 B12R1.49 Cc1ccc(C[C@H](N)CO)cc1 Amb25257357 [0,2,0,0,0,0|0,0,0]=2 8211 B12R1.49 Cc1ccc(C\C(N)=N\O)cc1 Amb6248369 [0,2,0,0,0,0|1,0,1]=4 8212 B12R1.49 Cc1ccc(NC(=O)CO)cc1 Amb33526618 [0,2,0,0,0,0|1,0,1]=4 8213 B12R1.49 Cc1ccc(NC(C)CN)cc1 Amb18646166 [0,2,0,0,0,0|2,0,0]=4 8214 B12R1.49 Cc1ccc(OC(C)CBr)cc1 Amb17248433 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.49 Cc1ccc(OC(C)CCl)cc1 Amb17234170 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.49 Cc1ccc(OC(C)CN)cc1 Amb2786584 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.49 Cc1ccc(OC(C)CO)cc1 Amb17232602 [0,2,0,0,0,0|1,0,0]=3 8218 B12R1.49 Cc1ccc(SC(C)CN)cc1 Amb17485974 [0,2,0,0,0,0|2,0,0]=4 8219 B12R1.49 Cc1ccc(SC(C)CO)nc1 Amb27465592 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.49 Cc1cnc(CC(N)CO)cn1 Amb33375594 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.49 Cc1cnc(CC(N)CO)nc1 Amb35751909 [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.49 N#CC(Br)Cc1ccc(Cl)cc1 Amb17349965 [0,2,0,0,0,0|1,0,1]=4 8223 B12R1.49 N#CC(Br)Cc1ccc(F)cc1 Amb17344012 [0,2,0,0,0,0|1,0,1]=4 8224 B12R1.49 N#CC(Cl)Cc1ccc(Br)cc1 Amb17204670 [0,2,0,0,0,0|1,0,1]=4 8225 B12R1.49 N#CC(Cl)Cc1ccc(Cl)cc1 Amb17204383 [0,2,0,0,0,0|1,0,1]=4 8226 B12R1.49 N#CC(Cl)Cc1ccc(F)cc1 Amb17204331 [0,2,0,0,0,0|1,0,1]=4 8227 B12R1.49 N#CC(N)Cc1ccc(Cl)cc1 Amb23557156 [0,2,0,0,0,0|1,0,1]=4 8228 B12R1.49 N#CC(N)Cc1ccc(F)cc1 Amb27596673 [0,2,0,0,0,0|1,0,1]=4 8229 B12R1.49 N#CC(O)Cc1ccc(F)cc1 Amb8384823 [0,2,0,0,0,0|1,0,1]=4 8230 B12R1.49 N#C[C@@H](N)Cc1ccc(I)cc1 Amb27426637 [0,2,0,0,0,0|1,0,1]=4 8231 B12R1.49 N=C(Cc1ccc(O)cc1)NO Amb22494626 [0,2,0,0,0,0|1,0,1]=4 8232 B12R1.49 NC(C=O)Cc1ccc(O)cc1 Amb28208235 [0,2,0,0,0,0|0,0,2]=4 8233 B12R1.49 NC(CO)CC1C=C=C(O)C=C1 Amb27800841 [0,2,0,0,0,0|0,0,2]=4 8234 B12R1.49 NC(CO)Cc1cc[n+]([O-])cc1 Amb27883106 [0,2,0,0,0,0|1,0,0]=3 8235 B12R1.49 NC(CO)Cc1ccc(Br)cc1 Amb17062713 [0,2,0,0,0,0|0,0,0]=2 8236 B12R1.49 NC(CO)Cc1ccc(Br)cn1 Amb26500211 [0,2,0,0,0,0|1,0,0]=3 8237 B12R1.49 NC(CO)Cc1ccc(Br)nc1 Amb25200151 [0,2,0,0,0,0|1,0,0]=3 8238 B12R1.49 NC(CO)Cc1ccc(Cl)cc1 Amb2719800 [0,2,0,0,0,0|0,0,0]=2 8239 B12R1.49 NC(CO)Cc1ccc(Cl)cc1 Amb30640025 [0,2,0,0,0,0|0,0,0]=2 8240 B12R1.49 NC(CO)Cc1ccc(Cl)cn1 Amb33220654 [0,2,0,0,0,0|1,0,0]=3 8241 B12R1.49 NC(CO)Cc1ccc(Cl)nc1 Amb27253397 [0,2,0,0,0,0|1,0,0]=3 8242 B12R1.49 NC(CO)Cc1ccc(F)cc1 Amb17062689 [0,2,0,0,0,0|0,0,0]=2 8243 B12R1.49 NC(CO)Cc1ccc(F)cc1 Amb28600205 [0,2,0,0,0,0|0,0,0]=2 8244 B12R1.49 NC(CO)Cc1ccc(F)cn1 Amb33315885 [0,2,0,0,0,0|1,0,0]=3 8245 B12R1.49 NC(CO)Cc1ccc(F)nc1 Amb33426219 [0,2,0,0,0,0|1,0,0]=3 8246 B12R1.49 NC(CO)Cc1ccc(I)cc1 Amb25140389 [0,2,0,0,0,0|0,0,0]=2 8247 B12R1.49 NC(CO)Cc1ccc(I)cc1 Amb33362381 [0,2,0,0,0,0|0,0,0]=2 8248 B12R1.49 NC(CO)Cc1ccc(O)cc1 Amb17062710 [0,2,0,0,0,0|0,0,0]=2 8249 B12R1.49 NC(CO)Cc1ccc(O)cc1 Amb32665844 [0,2,0,0,0,0|0,0,0]=2 8250 B12R1.49 NC(CO)Cc1ncc(Br)cn1 Amb33334766 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.49 NCC(=O)Cc1ccc(Br)cc1 Amb18160380 [0,2,0,0,0,0|1,0,1]=4 8252 B12R1.49 NCC(=O)Cc1ccc(Br)cc1 Amb33172776 [0,2,0,0,0,0|1,0,1]=4 8253 B12R1.49 NCC(=O)Cc1ccc(Cl)cc1 Amb18823029 [0,2,0,0,0,0|1,0,1]=4 8254 B12R1.49 NCC(=O)Cc1ccc(F)cc1 Amb18827238 [0,2,0,0,0,0|1,0,1]=4 8255 B12R1.49 NCC(=O)Cc1ccc(F)cc1 Amb28653051 [0,2,0,0,0,0|1,0,1]=4 8256 B12R1.49 NCC(=O)Cc1ccc(I)cc1 Amb27251885 [0,2,0,0,0,0|1,0,1]=4 8257 B12R1.49 NCC(F)Cc1ccc(Br)cc1 Amb27258824 [0,2,0,0,0,0|1,0,0]=3 8258 B12R1.49 NCC(F)Cc1ccc(Br)cn1 Amb27651064 [0,2,0,0,0,0|2,0,0]=4 8259 B12R1.49 NCC(F)Cc1ccc(F)cc1 Amb27163091 [0,2,0,0,0,0|1,0,0]=3 8260 B12R1.49 NCC(O)Cc1ccc(Br)cc1 Amb17248849 [0,2,0,0,0,0|1,0,0]=3 8261 B12R1.49 NCC(O)Cc1ccc(Br)cn1 Amb24353881 [0,2,0,0,0,0|2,0,0]=4 8262 B12R1.49 NCC(O)Cc1ccc(Br)nc1 Amb33388520 [0,2,0,0,0,0|2,0,0]=4 8263 B12R1.49 NCC(O)Cc1ccc(Cl)cc1 Amb17234269 [0,2,0,0,0,0|1,0,0]=3 8264 B12R1.49 NCC(O)Cc1ccc(Cl)cn1 Amb33220855 [0,2,0,0,0,0|2,0,0]=4 8265 B12R1.49 NCC(O)Cc1ccc(Cl)nc1 Amb33261675 [0,2,0,0,0,0|2,0,0]=4 8266 B12R1.49 NCC(O)Cc1ccc(F)cc1 Amb17232703 [0,2,0,0,0,0|1,0,0]=3 8267 B12R1.49 NCC(O)Cc1ccc(F)cn1 Amb33315573 [0,2,0,0,0,0|2,0,0]=4 8268 B12R1.49 NCC(O)Cc1ccc(F)nc1 Amb33425501 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.49 NCC(O)Cc1ccc(I)cc1 Amb28454480 [0,2,0,0,0,0|1,0,0]=3 8270 B12R1.49 NCC(O)Cc1ccc(N)cc1 Amb27406793 [0,2,0,0,0,0|1,0,0]=3 8271 B12R1.49 NCC(O)Cc1ccc(O)cc1 Amb25876680 [0,2,0,0,0,0|1,0,0]=3 8272 B12R1.49 NC[C@@H](N)Cc1ccc(Cl)cc1 Amb27389196 [0,2,0,0,0,0|1,0,0]=3 8273 B12R1.49 NC[C@@H](O)CN1C=CC(=O)C=C1 Amb27187733 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.49 N[C@@H](CO)Cc1ccc(Cl)cc1 Amb22225388 [0,2,0,0,0,0|0,0,0]=2 8275 B12R1.49 N[C@@H](CO)Cc1ccc(F)cc1 Amb22746377 [0,2,0,0,0,0|0,0,0]=2 8276 B12R1.49 N[C@@H](CO)Cc1ccc(F)cc1 Amb31289679 [0,2,0,0,0,0|0,0,0]=2 8277 B12R1.49 N[C@@H](CO)Cc1ccc(O)cc1 Amb6357315 [0,2,0,0,0,0|0,0,0]=2 8278 B12R1.49 N[C@@H](CO)Cc1ccc(O)cc1 Amb8387636 [0,2,0,0,0,0|0,0,0]=2 8279 B12R1.49 N[C@H](CO)CC1C=C=C(O)C=C1 Amb27770271 [0,2,0,0,0,0|0,0,2]=4 8280 B12R1.49 N[C@H](CO)Cc1ccc(Br)cc1 Amb24453435 [0,2,0,0,0,0|0,0,0]=2 8281 B12R1.49 N[C@H](CO)Cc1ccc(Cl)cc1 Amb19943950 [0,2,0,0,0,0|0,0,0]=2 8282 B12R1.49 N[C@H](CO)Cc1ccc(Cl)cc1 Amb22233150 [0,2,0,0,0,0|0,0,0]=2 8283 B12R1.49 N[C@H](CO)Cc1ccc(F)cc1 Amb22233151 [0,2,0,0,0,0|0,0,0]=2 8284 B12R1.49 N[C@H](CO)Cc1ccc(O)cc1 Amb1157858 [0,2,0,0,0,0|0,0,0]=2 8285 B12R1.49 N[C@H](CO)Cc1ccc(O)cc1 Amb8516110 [0,2,0,0,0,0|0,0,0]=2 8286 B12R1.49 N\C(Cc1ccc(Br)cc1)=N/O Amb6243425 [0,2,0,0,0,0|1,0,1]=4 8287 B12R1.49 N\C(Cc1ccc(Br)cc1)=N\O Amb2685412 [0,2,0,0,0,0|1,0,1]=4 8288 B12R1.49 N\C(Cc1ccc(Cl)cc1)=N/O Amb1114808 [0,2,0,0,0,0|1,0,1]=4 8289 B12R1.49 N\C(Cc1ccc(Cl)cc1)=N\O Amb2696040 [0,2,0,0,0,0|1,0,1]=4 8290 B12R1.49 N\C(Cc1ccc(F)cc1)=N/O Amb6767541 [0,2,0,0,0,0|1,0,1]=4 8291 B12R1.49 N\C(Cc1ccc(F)cc1)=N\O Amb2696614 [0,2,0,0,0,0|1,0,1]=4 8292 B12R1.49 N\C(Cc1ccc(N)cc1)=N/O Amb33536512 [0,2,0,0,0,0|1,0,1]=4 8293 B12R1.49 Nc1ccc(CC(=O)CCl)cc1 Amb27847044 [0,2,0,0,0,0|1,0,1]=4 8294 B12R1.49 Nc1ccc(C[C@H](N)CO)cc1 Amb22233152 [0,2,0,0,0,0|0,0,0]=2 8295 B12R1.49 Nc1ccc(NC(=O)CO)cc1 Amb8855205 [0,2,0,0,0,0|1,0,1]=4 8296 B12R1.49 Nc1ccc(OC(=O)CO)cc1 Amb24730945 [0,2,0,0,0,0|1,0,1]=4 8297 B12R1.49 O=C(CBr)Cc1ccc(Cl)cc1 Amb28401202 [0,2,0,0,0,0|1,0,1]=4 8298 B12R1.49 O=C(CBr)Cc1ccc(I)cc1 Amb27209808 [0,2,0,0,0,0|1,0,1]=4 8299 B12R1.49 O=C(CBr)Cc1ccc(O)cc1 Amb27192268 [0,2,0,0,0,0|1,0,1]=4 8300 B12R1.49 O=C(CCl)Cc1ccc(Br)cc1 Amb8887710 [0,2,0,0,0,0|1,0,1]=4 8301 B12R1.49 O=C(CCl)Cc1ccc(Cl)cc1 Amb6260991 [0,2,0,0,0,0|1,0,1]=4 8302 B12R1.49 O=C(CCl)Cc1ccc(F)cc1 Amb6261730 [0,2,0,0,0,0|1,0,1]=4 8303 B12R1.49 O=C(CCl)Cc1ccc(S)cc1 Amb28435529 [0,2,0,0,0,0|1,0,1]=4 8304 B12R1.49 O=C(CO)Cc1ccc(Br)cc1 Amb18069830 [0,2,0,0,0,0|0,0,1]=3 8305 B12R1.49 O=C(CO)Cc1ccc(Cl)cc1 Amb18564300 [0,2,0,0,0,0|0,0,1]=3 8306 B12R1.49 O=C(CO)Cc1ccc(F)cc1 Amb18805789 [0,2,0,0,0,0|0,0,1]=3 8307 B12R1.49 O=C(CO)Nc1ccc(Br)cc1 Amb1111396 [0,2,0,0,0,0|1,0,1]=4 8308 B12R1.49 O=C(CO)Nc1ccc(Cl)cc1 Amb1111272 [0,2,0,0,0,0|1,0,1]=4 8309 B12R1.49 O=C(CO)Nc1ccc(F)cc1 Amb1110979 [0,2,0,0,0,0|1,0,1]=4 8310 B12R1.49 O=C(CO)Nc1ccc(I)cc1 Amb1110138 [0,2,0,0,0,0|1,0,1]=4 8311 B12R1.49 O=C(CO)Nc1ccc(O)cc1 Amb5798036 [0,2,0,0,0,0|1,0,1]=4 8312 B12R1.49 O=C(CO)Oc1ccc(Br)cc1 Amb28241802 [0,2,0,0,0,0|1,0,1]=4 8313 B12R1.49 O=C(CO)Oc1ccc(I)cc1 Amb27968914 [0,2,0,0,0,0|1,0,1]=4 8314 B12R1.49 O=C(Cc1ccc(Br)cc1)NO Amb6279987 [0,2,0,0,0,0|1,0,1]=4 8315 B12R1.49 O=C(Cc1ccc(Cl)cc1)NO Amb6269355 [0,2,0,0,0,0|1,0,1]=4 8316 B12R1.49 O=C(Cc1ccc(F)cc1)NO Amb6264203 [0,2,0,0,0,0|1,0,1]=4 8317 B12R1.49 O=C1C=CN(CC(O)CF)C=C1 Amb33218176 [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.49 O=CC(Cl)Cc1ccc(Br)cc1 Amb17204706 [0,2,0,0,0,0|0,0,2]=4 8319 B12R1.49 O=CC(Cl)Cc1ccc(Cl)cc1 Amb17204403 [0,2,0,0,0,0|0,0,2]=4 8320 B12R1.49 O=CC(Cl)Cc1ccc(F)cc1 Amb17204342 [0,2,0,0,0,0|0,0,2]=4 8321 B12R1.49 OC(CCl)Cc1ccc(Br)cc1 Amb27416422 [0,2,0,0,0,0|1,0,0]=3 8322 B12R1.49 OCC(Cl)Cc1ccc(Cl)cc1 Amb27782418 [0,2,0,0,0,0|0,0,0]=2 8323 B12R1.49 OCC(O)Cc1ccc(Cl)cc1 Amb26318724 [0,2,0,0,0,0|0,0,0]=2 8324 B12R1.49 OCC(O)Cc1ccc(F)cc1 Amb27416534 [0,2,0,0,0,0|0,0,0]=2 8325 B12R1.49 OC[C@@H](F)Cc1ccc(F)cc1 Amb28455289 [0,2,0,0,0,0|0,0,0]=2 8326 B12R1.49 OC[C@@H](O)Cc1ccc(F)cc1 Amb27978223 [0,2,0,0,0,0|0,0,0]=2 8327 B12R1.49 OC[C@H](O)Cc1ccc(O)cc1 Amb28207388 [0,2,0,0,0,0|0,0,0]=2 8328 B12R1.69 BrCCCc1ccc(Br)cc1I Amb25248923 [0,2,0,0,0,0|1,0,0]=3 8329 B12R1.69 C#CCCc1ccc(Br)cc1Br Amb33383300 [0,2,0,0,0,0|1,0,1]=4 8330 B12R1.69 C#CCCc1ccc(Br)cc1C Amb33435316 [0,2,0,0,0,0|1,0,1]=4 8331 B12R1.69 C#CCCc1ccc(Br)cc1Cl Amb33334525 [0,2,0,0,0,0|1,0,1]=4 8332 B12R1.69 C#CCCc1ccc(Br)cc1F Amb33477053 [0,2,0,0,0,0|1,0,1]=4 8333 B12R1.69 C#CCCc1ccc(Br)cc1O Amb33389632 [0,2,0,0,0,0|1,0,1]=4 8334 B12R1.69 C#CCCc1ccc(C)cc1Br Amb33387280 [0,2,0,0,0,0|1,0,1]=4 8335 B12R1.69 C#CCCc1ccc(C)cc1C Amb33313083 [0,2,0,0,0,0|1,0,1]=4 8336 B12R1.69 C#CCCc1ccc(C)cc1Cl Amb33058527 [0,2,0,0,0,0|1,0,1]=4 8337 B12R1.69 C#CCCc1ccc(C)cc1F Amb33324276 [0,2,0,0,0,0|1,0,1]=4 8338 B12R1.69 C#CCCc1ccc(C)cc1O Amb33425620 [0,2,0,0,0,0|1,0,1]=4 8339 B12R1.69 C#CCCc1ccc(Cl)cc1Br Amb33450196 [0,2,0,0,0,0|1,0,1]=4 8340 B12R1.69 C#CCCc1ccc(Cl)cc1C Amb33413508 [0,2,0,0,0,0|1,0,1]=4 8341 B12R1.69 C#CCCc1ccc(Cl)cc1Cl Amb18634789 [0,2,0,0,0,0|1,0,1]=4 8342 B12R1.69 C#CCCc1ccc(Cl)cc1F Amb33220826 [0,2,0,0,0,0|1,0,1]=4 8343 B12R1.69 C#CCCc1ccc(Cl)cc1O Amb33260839 [0,2,0,0,0,0|1,0,1]=4 8344 B12R1.69 C#CCCc1ccc(F)cc1Br Amb33334172 [0,2,0,0,0,0|1,0,1]=4 8345 B12R1.69 C#CCCc1ccc(F)cc1C Amb33380176 [0,2,0,0,0,0|1,0,1]=4 8346 B12R1.69 C#CCCc1ccc(F)cc1Cl Amb33258084 [0,2,0,0,0,0|1,0,1]=4 8347 B12R1.69 C#CCCc1ccc(F)cc1F Amb33195993 [0,2,0,0,0,0|1,0,1]=4 8348 B12R1.69 C#CCCc1ccc(O)cc1Cl Amb33056602 [0,2,0,0,0,0|1,0,1]=4 8349 B12R1.69 C#CCCc1ccc(O)cc1F Amb33376537 [0,2,0,0,0,0|1,0,1]=4 8350 B12R1.69 C#CCCc1ccc(O)cc1O Amb33269276 [0,2,0,0,0,0|1,0,1]=4 8351 B12R1.69 C=CCCc1ccc(Br)cc1F Amb28368315 [0,2,0,0,0,0|1,0,1]=4 8352 B12R1.69 C=CCCc1ccc(C)cc1C Amb6299298 [0,2,0,0,0,0|1,0,1]=4 8353 B12R1.69 C=CCCc1ccc(C)cc1Cl Amb27954390 [0,2,0,0,0,0|1,0,1]=4 8354 B12R1.69 C=CCCc1ccc(Cl)cc1F Amb27831897 [0,2,0,0,0,0|1,0,1]=4 8355 B12R1.69 C=CCCc1ccc(F)cc1C Amb28186153 [0,2,0,0,0,0|1,0,1]=4 8356 B12R1.69 CC1=CC(=O)N(CCCCl)C=C1 Amb19045938 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.69 CC1=CC(=O)N(CCCN)C=C1 Amb18010722 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.69 CC1=CC(=O)N(CCCO)C=C1 Amb18041291 [0,2,0,0,0,0|1,0,0]=3 8359 B12R1.69 CC1=CC(=O)N(CCCS)C=C1 Amb28422679 [0,2,0,0,0,0|1,1,0]=4 8360 B12R1.69 CCCCC1=C(C)NC(=O)C=C1 Amb28388597 [0,2,0,0,0,0|2,0,0]=4 8361 B12R1.69 CCCCC1=C(Cl)OC(=O)C=C1 Amb27840648 [0,2,0,0,0,0|2,0,0]=4 8362 B12R1.69 CCCCN1C=CC(=O)C=C1Cl Amb27457348 [0,2,0,0,0,0|2,0,0]=4 8363 B12R1.69 CCCCN1C=CC(Br)=CC1=O Amb24645127 [0,2,0,0,0,0|2,0,0]=4 8364 B12R1.69 CCCCN1C=CC(C)=CC1=O Amb18403659 [0,2,0,0,0,0|2,0,0]=4 8365 B12R1.69 CCCCc1ccc(C)nc1N Amb35713104 [0,2,0,0,0,0|2,0,0]=4 8366 B12R1.69 CCCCc1ccc(I)cc1N Amb28287217 [0,2,0,0,0,0|1,0,0]=3 8367 B12R1.69 CCCCc1ccc(N)cc1C Amb26517027 [0,2,0,0,0,0|1,0,0]=3 8368 B12R1.69 CCCCc1ccc(N)cc1Cl Amb25858096 [0,2,0,0,0,0|1,0,0]=3 8369 B12R1.69 CCCCc1ccc(N)cc1N Amb28245267 [0,2,0,0,0,0|1,0,0]=3 8370 B12R1.69 CCCCc1ccc(N)cc1O Amb28250041 [0,2,0,0,0,0|1,0,0]=3 8371 B12R1.69 CCCCc1ccc(O)cc1F Amb28248864 [0,2,0,0,0,0|1,0,0]=3 8372 B12R1.69 CCCCc1ccc(O)cc1O Amb8393298 [0,2,0,0,0,0|1,0,0]=3 8373 B12R1.69 CCCCc1cnc(N)cc1C Amb27803388 [0,2,0,0,0,0|2,0,0]=4 8374 B12R1.69 CCCCc1cnc(O)cc1O Amb23570643 [0,2,0,0,0,0|2,0,0]=4 8375 B12R1.69 CCCCc1ncc(Br)cc1N Amb24361500 [0,2,0,0,0,0|2,0,0]=4 8376 B12R1.69 CCCCc1ncc(C)cc1N Amb24673024 [0,2,0,0,0,0|2,0,0]=4 8377 B12R1.69 CCCCc1ncc(Cl)cc1N Amb24657067 [0,2,0,0,0,0|2,0,0]=4 8378 B12R1.69 CCCCc1ncc(F)cc1N Amb24563181 [0,2,0,0,0,0|2,0,0]=4 8379 B12R1.69 CCCCc1ncc(N)cc1Br Amb27753939 [0,2,0,0,0,0|2,0,0]=4 8380 B12R1.69 CCCCc1ncc(N)cc1C Amb25974813 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.69 CCCCc1ncc(N)cc1Cl Amb26632378 [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.69 CCCNc1ccc(Br)cc1C Amb6690047 [0,2,0,0,0,0|2,0,0]=4 8383 B12R1.69 CCCNc1ccc(Br)cc1Cl Amb30584837 [0,2,0,0,0,0|2,0,0]=4 8384 B12R1.69 CCCNc1ccc(Br)cc1Cl Amb9000418 [0,2,0,0,0,0|2,0,0]=4 8385 B12R1.69 CCCNc1ccc(Br)cc1N Amb7767450 [0,2,0,0,0,0|2,0,0]=4 8386 B12R1.69 CCCNc1ccc(C)cc1Br Amb6688269 [0,2,0,0,0,0|2,0,0]=4 8387 B12R1.69 CCCNc1ccc(C)cc1C Amb4313506 [0,2,0,0,0,0|2,0,0]=4 8388 B12R1.69 CCCNc1ccc(C)cc1Cl Amb7780594 [0,2,0,0,0,0|2,0,0]=4 8389 B12R1.69 CCCNc1ccc(C)cc1N Amb9002761 [0,2,0,0,0,0|2,0,0]=4 8390 B12R1.69 CCCNc1ccc(Cl)cc1C Amb6610047 [0,2,0,0,0,0|2,0,0]=4 8391 B12R1.69 CCCNc1ccc(Cl)cc1Cl Amb6639162 [0,2,0,0,0,0|2,0,0]=4 8392 B12R1.69 CCCNc1ccc(Cl)cc1F Amb9582472 [0,2,0,0,0,0|2,0,0]=4 8393 B12R1.69 CCCNc1ccc(Cl)cc1N Amb7767457 [0,2,0,0,0,0|2,0,0]=4 8394 B12R1.69 CCCNc1ccc(F)cc1Cl Amb7808035 [0,2,0,0,0,0|2,0,0]=4 8395 B12R1.69 CCCNc1ccc(F)cc1F Amb6698329 [0,2,0,0,0,0|2,0,0]=4 8396 B12R1.69 CCCNc1ccc(F)cc1I Amb27881381 [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.69 CCCNc1ccc(F)cc1N Amb845869 [0,2,0,0,0,0|2,0,0]=4 8398 B12R1.69 CCCNc1ccc(I)cc1Br Amb27465186 [0,2,0,0,0,0|2,0,0]=4 8399 B12R1.69 CCCNc1ccc(I)cc1F Amb35597038 [0,2,0,0,0,0|2,0,0]=4 8400 B12R1.69 CCCNc1ccc(N)cc1F Amb845921 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.69 CCCNc1ccc(N)cc1I Amb27408784 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.69 CCCNc1ccc(O)cc1C Amb27614719 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.69 CCCNc1ccc(O)cc1Cl Amb35735282 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.69 CCCOc1ccc(Br)cc1C Amb25323749 [0,2,0,0,0,0|2,0,0]=4 8405 B12R1.69 CCCOc1ccc(Br)cc1Cl Amb28119263 [0,2,0,0,0,0|2,0,0]=4 8406 B12R1.69 CCCOc1ccc(Br)cc1F Amb10607074 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.69 CCCOc1ccc(Br)cc1N Amb8874531 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.69 CCCOc1ccc(Br)cc1S Amb25342159 [0,2,0,0,0,0|2,0,0]=4 8409 B12R1.69 CCCOc1ccc(C)cc1Br Amb6717096 [0,2,0,0,0,0|2,0,0]=4 8410 B12R1.69 CCCOc1ccc(C)cc1N Amb840315 [0,2,0,0,0,0|2,0,0]=4 8411 B12R1.69 CCCOc1ccc(C)cc1S Amb24688543 [0,2,0,0,0,0|2,0,0]=4 8412 B12R1.69 CCCOc1ccc(Cl)cc1Br Amb17261136 [0,2,0,0,0,0|2,0,0]=4 8413 B12R1.69 CCCOc1ccc(Cl)cc1F Amb27468493 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.69 CCCOc1ccc(Cl)cc1N Amb840193 [0,2,0,0,0,0|2,0,0]=4 8415 B12R1.69 CCCOc1ccc(F)cc1Br Amb6269501 [0,2,0,0,0,0|2,0,0]=4 8416 B12R1.69 CCCOc1ccc(F)cc1F Amb2782302 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.69 CCCOc1ccc(F)cc1N Amb8874529 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.69 CCCOc1ccc(F)cc1S Amb24640815 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.69 CCCOc1ccc(I)cc1N Amb18057209 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.69 CCCOc1ccc(I)cc1S Amb28289534 [0,2,0,0,0,0|2,0,0]=4 8421 B12R1.69 CCCOc1ccc(N)cc1Br Amb18293616 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.69 CCCOc1ccc(N)cc1C Amb21954722 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.69 CCCOc1ccc(N)cc1C Amb8439149 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.69 CCCOc1ccc(N)cc1Cl Amb1141135 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.69 CCCOc1ccc(N)cc1Cl Amb8627522 [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.69 CCCOc1ccc(N)cc1F Amb8874525 [0,2,0,0,0,0|2,0,0]=4 8427 B12R1.69 CCCOc1ccc(N)cc1I Amb26950528 [0,2,0,0,0,0|2,0,0]=4 8428 B12R1.69 CCCOc1ccc(O)cc1Br Amb28244202 [0,2,0,0,0,0|2,0,0]=4 8429 B12R1.69 CCCOc1ccc(O)cc1Cl Amb17202481 [0,2,0,0,0,0|2,0,0]=4 8430 B12R1.69 CCCOc1ccc(O)cc1F Amb27783538 [0,2,0,0,0,0|2,0,0]=4 8431 B12R1.69 CCCOc1ccc(O)cc1S Amb26996271 [0,2,0,0,0,0|2,0,0]=4 8432 B12R1.69 CCCOc1ccc(S)cc1C Amb26644076 [0,2,0,0,0,0|2,0,0]=4 8433 B12R1.69 CCCOc1ccc(S)cc1Cl Amb25669642 [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.69 CCCOc1ccc(S)cc1F Amb25359884 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.69 CCCSc1ccc(N)cc1F Amb7783536 [0,2,0,0,0,0|2,0,0]=4 8436 B12R1.69 CCCSc1ccc(O)cc1Cl Amb27193044 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.69 CCNCc1ccc(Br)cc1O Amb35609050 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.69 CCNCc1ccc(C)cc1Br Amb28243796 [0,2,0,0,0,0|2,0,0]=4 8439 B12R1.69 CCNCc1ccc(C)cc1C Amb6276679 [0,2,0,0,0,0|2,0,0]=4 8440 B12R1.69 CCNCc1ccc(C)cc1O Amb28077801 [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.69 CCNCc1ccc(Cl)cc1Cl Amb838328 [0,2,0,0,0,0|2,0,0]=4 8442 B12R1.69 CCNCc1ccc(Cl)cc1F Amb8853700 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.69 CCNCc1ccc(F)cc1C Amb18295698 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.69 CCNCc1ccc(F)cc1F Amb6273308 [0,2,0,0,0,0|2,0,0]=4 8445 B12R1.69 CCNCc1ccc(O)cc1O Amb6279180 [0,2,0,0,0,0|2,0,0]=4 8446 B12R1.69 CCOCc1ccc(Br)cc1Cl Amb27592032 [0,2,0,0,0,0|2,0,0]=4 8447 B12R1.69 CCOCc1ccc(Br)cc1F Amb22900163 [0,2,0,0,0,0|2,0,0]=4 8448 B12R1.69 CCOCc1ccc(F)cc1Br Amb22900189 [0,2,0,0,0,0|2,0,0]=4 8449 B12R1.69 CCOCc1ccc(F)cc1N Amb27175752 [0,2,0,0,0,0|2,0,0]=4 8450 B12R1.69 CCOCc1ccc(N)cc1Cl Amb18294632 [0,2,0,0,0,0|2,0,0]=4 8451 B12R1.69 CCSCc1ccc(Br)cc1F Amb27198669 [0,2,0,0,0,0|2,0,0]=4 8452 B12R1.69 CCSCc1ccc(Cl)cc1Cl Amb25334440 [0,2,0,0,0,0|2,0,0]=4 8453 B12R1.69 CCSCc1ccc(F)cc1Cl Amb28187456 [0,2,0,0,0,0|2,0,0]=4 8454 B12R1.69 CCSCc1ccc(F)cc1F Amb26346379 [0,2,0,0,0,0|2,0,0]=4 8455 B12R1.69 CNCCc1ccc(Br)cc1C Amb25135302 [0,2,0,0,0,0|2,0,0]=4 8456 B12R1.69 CNCCc1ccc(Br)cc1Cl Amb24415809 [0,2,0,0,0,0|2,0,0]=4 8457 B12R1.69 CNCCc1ccc(Br)cc1F Amb16230489 [0,2,0,0,0,0|2,0,0]=4 8458 B12R1.69 CNCCc1ccc(Br)cc1O Amb33389524 [0,2,0,0,0,0|2,0,0]=4 8459 B12R1.69 CNCCc1ccc(C)cc1Br Amb25235798 [0,2,0,0,0,0|2,0,0]=4 8460 B12R1.69 CNCCc1ccc(C)cc1C Amb17400139 [0,2,0,0,0,0|2,0,0]=4 8461 B12R1.69 CNCCc1ccc(C)cc1Cl Amb25850179 [0,2,0,0,0,0|2,0,0]=4 8462 B12R1.69 CNCCc1ccc(C)cc1F Amb26879900 [0,2,0,0,0,0|2,0,0]=4 8463 B12R1.69 CNCCc1ccc(C)cc1O Amb25777142 [0,2,0,0,0,0|2,0,0]=4 8464 B12R1.69 CNCCc1ccc(Cl)cc1Br Amb24364955 [0,2,0,0,0,0|2,0,0]=4 8465 B12R1.69 CNCCc1ccc(Cl)cc1C Amb25722327 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.69 CNCCc1ccc(Cl)cc1Cl Amb5785539 [0,2,0,0,0,0|2,0,0]=4 8467 B12R1.69 CNCCc1ccc(Cl)cc1F Amb26643052 [0,2,0,0,0,0|2,0,0]=4 8468 B12R1.69 CNCCc1ccc(Cl)cc1O Amb33260061 [0,2,0,0,0,0|2,0,0]=4 8469 B12R1.69 CNCCc1ccc(F)cc1Br Amb18299496 [0,2,0,0,0,0|2,0,0]=4 8470 B12R1.69 CNCCc1ccc(F)cc1C Amb18301295 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.69 CNCCc1ccc(F)cc1Cl Amb18993044 [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.69 CNCCc1ccc(F)cc1F Amb18299524 [0,2,0,0,0,0|2,0,0]=4 8473 B12R1.69 CNCCc1ccc(F)cc1F Amb33483487 [0,2,0,0,0,0|2,0,0]=4 8474 B12R1.69 CNCCc1ccc(O)cc1Cl Amb33057337 [0,2,0,0,0,0|2,0,0]=4 8475 B12R1.69 CNCCc1ccc(O)cc1F Amb24376021 [0,2,0,0,0,0|2,0,0]=4 8476 B12R1.69 CNCCc1ccc(O)cc1O Amb18273699 [0,2,0,0,0,0|2,0,0]=4 8477 B12R1.69 COCCc1ccc(Br)cc1F Amb28435248 [0,2,0,0,0,0|2,0,0]=4 8478 B12R1.69 Cc1cc(Br)ccc1CCC#N Amb17204518 [0,2,0,0,0,0|1,0,1]=4 8479 B12R1.69 Cc1cc(Br)ccc1CCC=O Amb18070232 [0,2,0,0,0,0|0,0,2]=4 8480 B12R1.69 Cc1cc(Br)ccc1CCCBr Amb27642848 [0,2,0,0,0,0|1,0,0]=3 8481 B12R1.69 Cc1cc(Br)ccc1CCCCl Amb27200792 [0,2,0,0,0,0|1,0,0]=3 8482 B12R1.69 Cc1cc(Br)ccc1CCCN Amb17204538 [0,2,0,0,0,0|1,0,0]=3 8483 B12R1.69 Cc1cc(Br)ccc1CCCO Amb23537809 [0,2,0,0,0,0|0,0,0]=2 8484 B12R1.69 Cc1cc(Br)ccc1CCCS Amb33435451 [0,2,0,0,0,0|0,1,0]=3 8485 B12R1.69 Cc1cc(Br)ccc1CCON Amb33435004 [0,2,0,0,0,0|2,0,0]=4 8486 B12R1.69 Cc1cc(Br)ccc1NCCCl Amb17351916 [0,2,0,0,0,0|2,0,0]=4 8487 B12R1.69 Cc1cc(Br)ccc1NCCN Amb17091076 [0,2,0,0,0,0|2,0,0]=4 8488 B12R1.69 Cc1cc(Br)ccc1NCCO Amb6709137 [0,2,0,0,0,0|1,0,0]=3 8489 B12R1.69 Cc1cc(Br)ccc1OCCF Amb24487619 [0,2,0,0,0,0|2,0,0]=4 8490 B12R1.69 Cc1cc(Br)ccc1OCCN Amb5781251 [0,2,0,0,0,0|2,0,0]=4 8491 B12R1.69 Cc1cc(Br)ccc1OCCO Amb24483359 [0,2,0,0,0,0|1,0,0]=3 8492 B12R1.69 Cc1cc(Br)ccc1\C=C\CO Amb25160043 [0,2,0,0,0,0|0,0,2]=4 8493 B12R1.69 Cc1cc(Br)cnc1CCCN Amb27462457 [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.69 Cc1cc(Br)cnc1NCCO Amb21958721 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.69 Cc1cc(Br)ncc1OCCO Amb28122182 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.69 Cc1cc(Cl)ccc1CCC#N Amb17204324 [0,2,0,0,0,0|1,0,1]=4 8497 B12R1.69 Cc1cc(Cl)ccc1CCC=O Amb18564228 [0,2,0,0,0,0|0,0,2]=4 8498 B12R1.69 Cc1cc(Cl)ccc1CCCBr Amb27623584 [0,2,0,0,0,0|1,0,0]=3 8499 B12R1.69 Cc1cc(Cl)ccc1CCCCl Amb25922222 [0,2,0,0,0,0|1,0,0]=3 8500 B12R1.69 Cc1cc(Cl)ccc1CCCN Amb17204337 [0,2,0,0,0,0|1,0,0]=3 8501 B12R1.69 Cc1cc(Cl)ccc1CCCO Amb27645295 [0,2,0,0,0,0|0,0,0]=2 8502 B12R1.69 Cc1cc(Cl)ccc1CCCS Amb33413534 [0,2,0,0,0,0|0,1,0]=3 8503 B12R1.69 Cc1cc(Cl)ccc1CCON Amb33260989 [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.69 Cc1cc(Cl)ccc1NCCCl Amb17338053 [0,2,0,0,0,0|2,0,0]=4 8505 B12R1.69 Cc1cc(Cl)ccc1NCCN Amb17091059 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.69 Cc1cc(Cl)ccc1NCCO Amb17305825 [0,2,0,0,0,0|1,0,0]=3 8507 B12R1.69 Cc1cc(Cl)ccc1OCCBr Amb6277284 [0,2,0,0,0,0|2,0,0]=4 8508 B12R1.69 Cc1cc(Cl)ccc1OCCCl Amb8828443 [0,2,0,0,0,0|2,0,0]=4 8509 B12R1.69 Cc1cc(Cl)ccc1OCCN Amb6328850 [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.69 Cc1cc(Cl)ccc1OCCO Amb9370701 [0,2,0,0,0,0|1,0,0]=3 8511 B12R1.69 Cc1cc(Cl)ccc1OCCS Amb17237590 [0,2,0,0,0,0|1,1,0]=4 8512 B12R1.69 Cc1cc(Cl)ccc1\C=C\CO Amb25324808 [0,2,0,0,0,0|0,0,2]=4 8513 B12R1.69 Cc1cc(Cl)cnc1NCCO Amb35669569 [0,2,0,0,0,0|2,0,0]=4 8514 B12R1.69 Cc1cc(Cl)cnc1SCCO Amb35669563 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.69 Cc1cc(Cl)ncc1OCCO Amb27484544 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.69 Cc1cc(F)ccc1CCC#N Amb27796954 [0,2,0,0,0,0|1,0,1]=4 8517 B12R1.69 Cc1cc(F)ccc1CCC=O Amb25691957 [0,2,0,0,0,0|0,0,2]=4 8518 B12R1.69 Cc1cc(F)ccc1CCCBr Amb26325781 [0,2,0,0,0,0|1,0,0]=3 8519 B12R1.69 Cc1cc(F)ccc1CCCCl Amb25840107 [0,2,0,0,0,0|1,0,0]=3 8520 B12R1.69 Cc1cc(F)ccc1CCCN Amb18295693 [0,2,0,0,0,0|1,0,0]=3 8521 B12R1.69 Cc1cc(F)ccc1CCCO Amb25148633 [0,2,0,0,0,0|0,0,0]=2 8522 B12R1.69 Cc1cc(F)ccc1CCCS Amb33380162 [0,2,0,0,0,0|0,1,0]=3 8523 B12R1.69 Cc1cc(F)ccc1CCNN Amb27221503 [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.69 Cc1cc(F)ccc1CCON Amb33374759 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.69 Cc1cc(F)ccc1NCCCl Amb28121045 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.69 Cc1cc(F)ccc1OCCF Amb27177456 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.69 Cc1cc(F)ccc1OCCN Amb27177455 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.69 Cc1cc(F)ccc1OCCS Amb27588480 [0,2,0,0,0,0|1,1,0]=4 8529 B12R1.69 Cc1cc(F)ccc1SCCN Amb17083029 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.69 Cc1cc(F)ccc1\C=C\CO Amb33448810 [0,2,0,0,0,0|0,0,2]=4 8531 B12R1.69 Cc1cc(F)ncc1CCCN Amb27869580 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.69 Cc1cc(I)ccc1CCCCl Amb27230838 [0,2,0,0,0,0|1,0,0]=3 8533 B12R1.69 Cc1cc(N)ccc1CCC#N Amb27242757 [0,2,0,0,0,0|1,0,1]=4 8534 B12R1.69 Cc1cc(N)ccc1CCCBr Amb27616073 [0,2,0,0,0,0|1,0,0]=3 8535 B12R1.69 Cc1cc(N)ccc1CCCCl Amb24695776 [0,2,0,0,0,0|1,0,0]=3 8536 B12R1.69 Cc1cc(N)ccc1NCCF Amb27647272 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.69 Cc1cc(N)ccc1NCCN Amb18991506 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.69 Cc1cc(N)ccc1NCCO Amb8855787 [0,2,0,0,0,0|1,0,0]=3 8539 B12R1.69 Cc1cc(N)ccc1OCCF Amb25678791 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.69 Cc1cc(N)ccc1OCCO Amb8855931 [0,2,0,0,0,0|1,0,0]=3 8541 B12R1.69 Cc1cc(N)cnc1OCCO Amb18298667 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.69 Cc1cc(N)cnc1SCCO Amb18298672 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.69 Cc1cc(O)ccc1CCCCl Amb27623395 [0,2,0,0,0,0|1,0,0]=3 8544 B12R1.69 Cc1cc(O)ccc1CCCN Amb18554106 [0,2,0,0,0,0|1,0,0]=3 8545 B12R1.69 Cc1cc(O)ccc1NCCN Amb27953715 [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.69 Cc1cc(O)ccc1OCCN Amb27635369 [0,2,0,0,0,0|2,0,0]=4 8547 B12R1.69 Cc1cc(S)ccc1CCC#N Amb27199502 [0,2,0,0,0,0|1,0,1]=4 8548 B12R1.69 Cc1cc(S)ccc1CCC=O Amb28246213 [0,2,0,0,0,0|0,0,2]=4 8549 B12R1.69 Cc1cc(S)ccc1CCCCl Amb24541029 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.69 Cc1ccc(CCC#N)c(Br)c1 Amb17204517 [0,2,0,0,0,0|1,0,1]=4 8551 B12R1.69 Cc1ccc(CCC#N)c(C)c1 Amb17204300 [0,2,0,0,0,0|1,0,1]=4 8552 B12R1.69 Cc1ccc(CCC#N)c(Cl)c1 Amb26540103 [0,2,0,0,0,0|1,0,1]=4 8553 B12R1.69 Cc1ccc(CCC#N)c(F)c1 Amb26568938 [0,2,0,0,0,0|1,0,1]=4 8554 B12R1.69 Cc1ccc(CCC#N)c(I)c1 Amb27871514 [0,2,0,0,0,0|1,0,1]=4 8555 B12R1.69 Cc1ccc(CCC#N)c(N)c1 Amb27615949 [0,2,0,0,0,0|1,0,1]=4 8556 B12R1.69 Cc1ccc(CCC#N)c(O)c1 Amb28245941 [0,2,0,0,0,0|1,0,1]=4 8557 B12R1.69 Cc1ccc(CCC=O)c(Br)c1 Amb18070227 [0,2,0,0,0,0|0,0,2]=4 8558 B12R1.69 Cc1ccc(CCC=O)c(C)c1 Amb18563553 [0,2,0,0,0,0|0,0,2]=4 8559 B12R1.69 Cc1ccc(CCC=O)c(Cl)c1 Amb24484219 [0,2,0,0,0,0|0,0,2]=4 8560 B12R1.69 Cc1ccc(CCC=O)c(F)c1 Amb25773961 [0,2,0,0,0,0|0,0,2]=4 8561 B12R1.69 Cc1ccc(CCC=O)c(I)c1 Amb24594357 [0,2,0,0,0,0|0,0,2]=4 8562 B12R1.69 Cc1ccc(CCC=O)c(O)c1 Amb25253209 [0,2,0,0,0,0|0,0,2]=4 8563 B12R1.69 Cc1ccc(CCCBr)c(Br)c1 Amb27625160 [0,2,0,0,0,0|1,0,0]=3 8564 B12R1.69 Cc1ccc(CCCBr)c(C)c1 Amb26429322 [0,2,0,0,0,0|1,0,0]=3 8565 B12R1.69 Cc1ccc(CCCBr)c(Cl)c1 Amb25798590 [0,2,0,0,0,0|1,0,0]=3 8566 B12R1.69 Cc1ccc(CCCBr)c(Cl)n1 Amb33335036 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.69 Cc1ccc(CCCBr)c(F)c1 Amb26066087 [0,2,0,0,0,0|1,0,0]=3 8568 B12R1.69 Cc1ccc(CCCBr)c(I)c1 Amb26611991 [0,2,0,0,0,0|1,0,0]=3 8569 B12R1.69 Cc1ccc(CCCBr)c(O)c1 Amb25194824 [0,2,0,0,0,0|1,0,0]=3 8570 B12R1.69 Cc1ccc(CCCBr)c(S)c1 Amb25920100 [0,2,0,0,0,0|1,0,0]=3 8571 B12R1.69 Cc1ccc(CCCCl)c(Br)c1 Amb28323252 [0,2,0,0,0,0|1,0,0]=3 8572 B12R1.69 Cc1ccc(CCCCl)c(Cl)c1 Amb27251170 [0,2,0,0,0,0|1,0,0]=3 8573 B12R1.69 Cc1ccc(CCCCl)c(F)c1 Amb27193303 [0,2,0,0,0,0|1,0,0]=3 8574 B12R1.69 Cc1ccc(CCCCl)c(I)c1 Amb27423548 [0,2,0,0,0,0|1,0,0]=3 8575 B12R1.69 Cc1ccc(CCCCl)c(O)c1 Amb26988904 [0,2,0,0,0,0|1,0,0]=3 8576 B12R1.69 Cc1ccc(CCCCl)c(S)c1 Amb27647047 [0,2,0,0,0,0|1,0,0]=3 8577 B12R1.69 Cc1ccc(CCCN)c(Br)c1 Amb17204537 [0,2,0,0,0,0|1,0,0]=3 8578 B12R1.69 Cc1ccc(CCCN)c(C)c1 Amb1215673 [0,2,0,0,0,0|1,0,0]=3 8579 B12R1.69 Cc1ccc(CCCN)c(C)c1 Amb32670630 [0,2,0,0,0,0|1,0,0]=3 8580 B12R1.69 Cc1ccc(CCCN)c(Cl)c1 Amb25159902 [0,2,0,0,0,0|1,0,0]=3 8581 B12R1.69 Cc1ccc(CCCN)c(Cl)n1 Amb33259863 [0,2,0,0,0,0|2,0,0]=4 8582 B12R1.69 Cc1ccc(CCCN)c(F)c1 Amb25677595 [0,2,0,0,0,0|1,0,0]=3 8583 B12R1.69 Cc1ccc(CCCN)c(O)c1 Amb25776876 [0,2,0,0,0,0|1,0,0]=3 8584 B12R1.69 Cc1ccc(CCCO)c(Br)c1 Amb23537990 [0,2,0,0,0,0|0,0,0]=2 8585 B12R1.69 Cc1ccc(CCCO)c(C)c1 Amb17400157 [0,2,0,0,0,0|0,0,0]=2 8586 B12R1.69 Cc1ccc(CCCO)c(Cl)c1 Amb25820255 [0,2,0,0,0,0|0,0,0]=2 8587 B12R1.69 Cc1ccc(CCCO)c(Cl)n1 Amb33260590 [0,2,0,0,0,0|1,0,0]=3 8588 B12R1.69 Cc1ccc(CCCO)c(F)c1 Amb25135641 [0,2,0,0,0,0|0,0,0]=2 8589 B12R1.69 Cc1ccc(CCCO)c(N)c1 Amb22233216 [0,2,0,0,0,0|0,0,0]=2 8590 B12R1.69 Cc1ccc(CCCO)c(O)c1 Amb26589790 [0,2,0,0,0,0|0,0,0]=2 8591 B12R1.69 Cc1ccc(CCCS)c(Br)c1 Amb33387491 [0,2,0,0,0,0|0,1,0]=3 8592 B12R1.69 Cc1ccc(CCCS)c(C)c1 Amb24497542 [0,2,0,0,0,0|0,1,0]=3 8593 B12R1.69 Cc1ccc(CCCS)c(Cl)c1 Amb33221379 [0,2,0,0,0,0|0,1,0]=3 8594 B12R1.69 Cc1ccc(CCCS)c(Cl)n1 Amb33260578 [0,2,0,0,0,0|1,1,0]=4 8595 B12R1.69 Cc1ccc(CCCS)c(F)c1 Amb33324275 [0,2,0,0,0,0|0,1,0]=3 8596 B12R1.69 Cc1ccc(CCCS)c(O)c1 Amb33425273 [0,2,0,0,0,0|0,1,0]=3 8597 B12R1.69 Cc1ccc(CCNN)c(C)c1 Amb17400165 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.69 Cc1ccc(CCON)c(Br)c1 Amb33450472 [0,2,0,0,0,0|2,0,0]=4 8599 B12R1.69 Cc1ccc(CCON)c(C)c1 Amb33312644 [0,2,0,0,0,0|2,0,0]=4 8600 B12R1.69 Cc1ccc(CCON)c(Cl)c1 Amb33058477 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.69 Cc1ccc(CCON)c(F)c1 Amb33323350 [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.69 Cc1ccc(CCON)c(O)c1 Amb33426047 [0,2,0,0,0,0|2,0,0]=4 8603 B12R1.69 Cc1ccc(NCCCl)c(Br)c1 Amb17351915 [0,2,0,0,0,0|2,0,0]=4 8604 B12R1.69 Cc1ccc(NCCCl)c(C)c1 Amb17335661 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.69 Cc1ccc(NCCF)c(C)c1 Amb27961326 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.69 Cc1ccc(NCCN)c(Br)c1 Amb17091075 [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.69 Cc1ccc(NCCN)c(C)c1 Amb17057764 [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.69 Cc1ccc(NCCO)c(Br)c1 Amb6708181 [0,2,0,0,0,0|1,0,0]=3 8609 B12R1.69 Cc1ccc(NCCO)c(C)c1 Amb6706815 [0,2,0,0,0,0|1,0,0]=3 8610 B12R1.69 Cc1ccc(NCCO)c(N)c1 Amb9002809 [0,2,0,0,0,0|1,0,0]=3 8611 B12R1.69 Cc1ccc(OCCBr)c(C)c1 Amb6272164 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.69 Cc1ccc(OCCBr)c(Cl)c1 Amb10608618 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.69 Cc1ccc(OCCCl)c(C)c1 Amb8828417 [0,2,0,0,0,0|2,0,0]=4 8614 B12R1.69 Cc1ccc(OCCF)c(Br)c1 Amb27475775 [0,2,0,0,0,0|2,0,0]=4 8615 B12R1.69 Cc1ccc(OCCF)c(C)c1 Amb27983422 [0,2,0,0,0,0|2,0,0]=4 8616 B12R1.69 Cc1ccc(OCCF)c(N)c1 Amb26998373 [0,2,0,0,0,0|2,0,0]=4 8617 B12R1.69 Cc1ccc(OCCN)c(Br)c1 Amb6315948 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.69 Cc1ccc(OCCN)c(C)c1 Amb1072012 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.69 Cc1ccc(OCCN)c(C)c1 Amb1215328 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.69 Cc1ccc(OCCN)c(Cl)c1 Amb18994687 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.69 Cc1ccc(OCCN)c(F)c1 Amb27147361 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.69 Cc1ccc(OCCN)c(O)c1 Amb33425282 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.69 Cc1ccc(OCCO)c(C)c1 Amb9370616 [0,2,0,0,0,0|1,0,0]=3 8624 B12R1.69 Cc1ccc(OCCO)c(Cl)c1 Amb19070653 [0,2,0,0,0,0|1,0,0]=3 8625 B12R1.69 Cc1ccc(OCCO)c(N)c1 Amb9002970 [0,2,0,0,0,0|1,0,0]=3 8626 B12R1.69 Cc1ccc(OCCS)c(C)c1 Amb17233944 [0,2,0,0,0,0|1,1,0]=4 8627 B12R1.69 Cc1ccc(OCC[NH3+])c(C)c1 Amb34916632 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.69 Cc1ccc(SCCN)c(C)c1 Amb6256671 [0,2,0,0,0,0|2,0,0]=4 8629 B12R1.69 Cc1ccc(SCCO)c(Br)c1 Amb26613162 [0,2,0,0,0,0|1,0,0]=3 8630 B12R1.69 Cc1ccc(\C=C\CO)c(Br)c1 Amb28243139 [0,2,0,0,0,0|0,0,2]=4 8631 B12R1.69 Cc1ccc(\C=C\CO)c(C)c1 Amb27989228 [0,2,0,0,0,0|0,0,2]=4 8632 B12R1.69 Cc1ccc(\C=C\CO)c(Cl)c1 Amb35711132 [0,2,0,0,0,0|0,0,2]=4 8633 B12R1.69 Cc1ccc(\C=C\CO)c(F)c1 Amb33324286 [0,2,0,0,0,0|0,0,2]=4 8634 B12R1.69 Cc1ccc(\C=C\CO)c(O)c1 Amb28422712 [0,2,0,0,0,0|0,0,2]=4 8635 B12R1.69 Cc1cnc(NCCO)c(N)c1 Amb17209059 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.69 Cc1cnc(OCCO)c(Br)c1 Amb27949225 [0,2,0,0,0,0|2,0,0]=4 8637 B12R1.69 Cc1cnc(OCCO)c(N)c1 Amb24668278 [0,2,0,0,0,0|2,0,0]=4 8638 B12R1.69 ClCCCc1ccc(Br)cc1Br Amb24756782 [0,2,0,0,0,0|1,0,0]=3 8639 B12R1.69 ClCCCc1ccc(Br)cc1Cl Amb26491293 [0,2,0,0,0,0|1,0,0]=3 8640 B12R1.69 ClCCCc1ccc(Br)cc1I Amb26653620 [0,2,0,0,0,0|1,0,0]=3 8641 B12R1.69 ClCCCc1ccc(Cl)cc1Br Amb27965661 [0,2,0,0,0,0|1,0,0]=3 8642 B12R1.69 ClCCCc1ccc(Cl)cc1Cl Amb17477748 [0,2,0,0,0,0|1,0,0]=3 8643 B12R1.69 ClCCCc1ccc(I)cc1Br Amb27963012 [0,2,0,0,0,0|1,0,0]=3 8644 B12R1.69 ClCCNc1ccc(Cl)cc1Cl Amb17343163 [0,2,0,0,0,0|2,0,0]=4 8645 B12R1.69 ClCCOc1ccc(Br)cc1Cl Amb8828492 [0,2,0,0,0,0|2,0,0]=4 8646 B12R1.69 ClCCOc1ccc(Cl)cc1Cl Amb8828436 [0,2,0,0,0,0|2,0,0]=4 8647 B12R1.69 Clc1cc(Br)ccc1CCCBr Amb26652758 [0,2,0,0,0,0|1,0,0]=3 8648 B12R1.69 Clc1cc(Br)ccc1OCCBr Amb7765610 [0,2,0,0,0,0|2,0,0]=4 8649 B12R1.69 Clc1cc(Cl)c(CCCBr)cn1 Amb33336006 [0,2,0,0,0,0|2,0,0]=4 8650 B12R1.69 Clc1ccc(CCCBr)c(Cl)c1 Amb24064155 [0,2,0,0,0,0|1,0,0]=3 8651 B12R1.69 Clc1ccc(CCCBr)c(Cl)n1 Amb33331939 [0,2,0,0,0,0|2,0,0]=4 8652 B12R1.69 Clc1ccc(OCCBr)c(Br)c1 Amb1154146 [0,2,0,0,0,0|2,0,0]=4 8653 B12R1.69 Clc1ccc(OCCBr)c(Cl)c1 Amb1152303 [0,2,0,0,0,0|2,0,0]=4 8654 B12R1.69 Clc1ccc(OCCI)c(Cl)c1 Amb28422569 [0,2,0,0,0,0|2,0,0]=4 8655 B12R1.69 Clc1ccc(SCCBr)c(Cl)c1 Amb28075621 [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.69 Clc1cnc(CCCBr)c(Cl)c1 Amb33335830 [0,2,0,0,0,0|2,0,0]=4 8657 B12R1.69 FCCNc1ccc(Br)cc1Br Amb27984467 [0,2,0,0,0,0|2,0,0]=4 8658 B12R1.69 FCCNc1ccc(Br)cc1Cl Amb27781425 [0,2,0,0,0,0|2,0,0]=4 8659 B12R1.69 FCCNc1ccc(Cl)cc1Cl Amb27800524 [0,2,0,0,0,0|2,0,0]=4 8660 B12R1.69 FCCNc1ccc(F)cc1F Amb27389205 [0,2,0,0,0,0|2,0,0]=4 8661 B12R1.69 FCCNc1ccc(I)cc1F Amb35589463 [0,2,0,0,0,0|2,0,0]=4 8662 B12R1.69 FCCOc1ccc(Br)cc1Cl Amb22470092 [0,2,0,0,0,0|2,0,0]=4 8663 B12R1.69 FCCOc1ccc(Cl)cc1Br Amb28125500 [0,2,0,0,0,0|2,0,0]=4 8664 B12R1.69 FCCOc1ccc(F)cc1Cl Amb28381910 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.69 Fc1cc(Br)ccc1CCCBr Amb20075851 [0,2,0,0,0,0|1,0,0]=3 8666 B12R1.69 Fc1cc(Br)ccc1CCCCl Amb25770333 [0,2,0,0,0,0|1,0,0]=3 8667 B12R1.69 Fc1cc(Br)ccc1CCCS Amb33477370 [0,2,0,0,0,0|0,1,0]=3 8668 B12R1.69 Fc1cc(Br)ccc1OCCBr Amb9207739 [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.69 Fc1cc(Br)ccc1OCCS Amb27761352 [0,2,0,0,0,0|1,1,0]=4 8670 B12R1.69 Fc1cc(Cl)ccc1CCCBr Amb27633944 [0,2,0,0,0,0|1,0,0]=3 8671 B12R1.69 Fc1cc(Cl)ccc1CCCCl Amb26424917 [0,2,0,0,0,0|1,0,0]=3 8672 B12R1.69 Fc1cc(Cl)ccc1CCCS Amb33052033 [0,2,0,0,0,0|0,1,0]=3 8673 B12R1.69 Fc1cc(Cl)ccc1OCCBr Amb27391802 [0,2,0,0,0,0|2,0,0]=4 8674 B12R1.69 Fc1cc(S)ccc1CCCBr Amb28133833 [0,2,0,0,0,0|1,0,0]=3 8675 B12R1.69 Fc1ccc(CCCBr)c(Br)c1 Amb24448383 [0,2,0,0,0,0|1,0,0]=3 8676 B12R1.69 Fc1ccc(CCCBr)c(Cl)c1 Amb27254548 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.69 Fc1ccc(CCCBr)c(F)c1 Amb26433081 [0,2,0,0,0,0|1,0,0]=3 8678 B12R1.69 Fc1ccc(CCCCl)c(Br)c1 Amb27751483 [0,2,0,0,0,0|1,0,0]=3 8679 B12R1.69 Fc1ccc(CCCCl)c(Cl)c1 Amb27855924 [0,2,0,0,0,0|1,0,0]=3 8680 B12R1.69 Fc1ccc(CCCCl)c(F)c1 Amb19073200 [0,2,0,0,0,0|1,0,0]=3 8681 B12R1.69 Fc1ccc(CCCCl)c(I)c1 Amb27490051 [0,2,0,0,0,0|1,0,0]=3 8682 B12R1.69 Fc1ccc(CCCS)c(Br)c1 Amb33334158 [0,2,0,0,0,0|0,1,0]=3 8683 B12R1.69 Fc1ccc(CCCS)c(Cl)c1 Amb33258064 [0,2,0,0,0,0|0,1,0]=3 8684 B12R1.69 Fc1ccc(CCCS)c(F)c1 Amb25159701 [0,2,0,0,0,0|0,1,0]=3 8685 B12R1.69 Fc1ccc(OCCBr)c(Br)c1 Amb6274766 [0,2,0,0,0,0|2,0,0]=4 8686 B12R1.69 Fc1ccc(OCCBr)c(Cl)c1 Amb17263583 [0,2,0,0,0,0|2,0,0]=4 8687 B12R1.69 Fc1ccc(OCCBr)c(F)c1 Amb6255835 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.69 Fc1ccc(OCCCl)c(Cl)c1 Amb17240164 [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.69 Fc1ccc(OCCCl)c(F)c1 Amb8828448 [0,2,0,0,0,0|2,0,0]=4 8690 B12R1.69 Fc1ccc(OCCS)c(Br)c1 Amb27218799 [0,2,0,0,0,0|1,1,0]=4 8691 B12R1.69 Fc1ccc(OCCS)c(Cl)c1 Amb17239148 [0,2,0,0,0,0|1,1,0]=4 8692 B12R1.69 Fc1ccc(OCCS)c(F)c1 Amb17234881 [0,2,0,0,0,0|1,1,0]=4 8693 B12R1.69 Fc1ccc(SCCBr)c(F)c1 Amb8996784 [0,2,0,0,0,0|2,0,0]=4 8694 B12R1.69 Fc1ccc(SCCCl)c(F)c1 Amb8995014 [0,2,0,0,0,0|2,0,0]=4 8695 B12R1.69 N#CCCc1ccc(Br)cc1Br Amb25942236 [0,2,0,0,0,0|1,0,1]=4 8696 B12R1.69 N#CCCc1ccc(Br)cc1Cl Amb26566004 [0,2,0,0,0,0|1,0,1]=4 8697 B12R1.69 N#CCCc1ccc(Br)cc1F Amb24737736 [0,2,0,0,0,0|1,0,1]=4 8698 B12R1.69 N#CCCc1ccc(Br)cc1O Amb27966214 [0,2,0,0,0,0|1,0,1]=4 8699 B12R1.69 N#CCCc1ccc(Br)cc1S Amb27445822 [0,2,0,0,0,0|1,0,1]=4 8700 B12R1.69 N#CCCc1ccc(Cl)cc1Br Amb26990195 [0,2,0,0,0,0|1,0,1]=4 8701 B12R1.69 N#CCCc1ccc(Cl)cc1Cl Amb17204385 [0,2,0,0,0,0|1,0,1]=4 8702 B12R1.69 N#CCCc1ccc(Cl)cc1F Amb26604145 [0,2,0,0,0,0|1,0,1]=4 8703 B12R1.69 N#CCCc1ccc(Cl)cc1I Amb27624776 [0,2,0,0,0,0|1,0,1]=4 8704 B12R1.69 N#CCCc1ccc(Cl)cc1O Amb26063392 [0,2,0,0,0,0|1,0,1]=4 8705 B12R1.69 N#CCCc1ccc(Cl)cc1S Amb28436245 [0,2,0,0,0,0|1,0,1]=4 8706 B12R1.69 N#CCCc1ccc(F)cc1Br Amb26002912 [0,2,0,0,0,0|1,0,1]=4 8707 B12R1.69 N#CCCc1ccc(F)cc1Cl Amb19045344 [0,2,0,0,0,0|1,0,1]=4 8708 B12R1.69 N#CCCc1ccc(F)cc1F Amb16193191 [0,2,0,0,0,0|1,0,1]=4 8709 B12R1.69 N#CCCc1ccc(F)cc1I Amb27637400 [0,2,0,0,0,0|1,0,1]=4 8710 B12R1.69 N#CCCc1ccc(F)cc1N Amb27621613 [0,2,0,0,0,0|1,0,1]=4 8711 B12R1.69 N#CCCc1ccc(F)cc1S Amb28134076 [0,2,0,0,0,0|1,0,1]=4 8712 B12R1.69 N#CCCc1ccc(I)cc1N Amb27636564 [0,2,0,0,0,0|1,0,1]=4 8713 B12R1.69 N#CCCc1ccc(I)cc1O Amb27654257 [0,2,0,0,0,0|1,0,1]=4 8714 B12R1.69 N#CCCc1ccc(N)cc1Cl Amb25700092 [0,2,0,0,0,0|1,0,1]=4 8715 B12R1.69 N#CCCc1ccc(O)cc1Br Amb27613858 [0,2,0,0,0,0|1,0,1]=4 8716 B12R1.69 N#CCCc1ccc(O)cc1Cl Amb26619916 [0,2,0,0,0,0|1,0,1]=4 8717 B12R1.69 N#CCCc1ccc(O)cc1F Amb33377697 [0,2,0,0,0,0|1,0,1]=4 8718 B12R1.69 N#CCCc1ccc(O)cc1O Amb24742016 [0,2,0,0,0,0|1,0,1]=4 8719 B12R1.69 N#CCCc1ccc(S)cc1Br Amb27193577 [0,2,0,0,0,0|1,0,1]=4 8720 B12R1.69 N#CCCc1ccc(S)cc1F Amb27619327 [0,2,0,0,0,0|1,0,1]=4 8721 B12R1.69 N#CCCc1ccc(S)cc1O Amb27423582 [0,2,0,0,0,0|1,0,1]=4 8722 B12R1.69 N#CCCc1ccc(S)cc1S Amb28133072 [0,2,0,0,0,0|1,0,1]=4 8723 B12R1.69 NC1=CC(=O)N(CCCO)N=C1 Amb27204344 [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.69 NC1=NC(=O)N(CCCO)C=C1 Amb27864755 [0,2,0,0,0,0|2,0,0]=4 8725 B12R1.69 NCCCC1=COC(O)=CC1=O Amb27421413 [0,2,0,0,0,0|2,0,0]=4 8726 B12R1.69 NCCCc1ccc(Br)cc1Cl Amb25897417 [0,2,0,0,0,0|1,0,0]=3 8727 B12R1.69 NCCCc1ccc(Br)cc1F Amb9304930 [0,2,0,0,0,0|1,0,0]=3 8728 B12R1.69 NCCCc1ccc(Br)cc1O Amb27644606 [0,2,0,0,0,0|1,0,0]=3 8729 B12R1.69 NCCCc1ccc(Cl)cc1Br Amb27250429 [0,2,0,0,0,0|1,0,0]=3 8730 B12R1.69 NCCCc1ccc(Cl)cc1Cl Amb9304921 [0,2,0,0,0,0|1,0,0]=3 8731 B12R1.69 NCCCc1ccc(Cl)cc1F Amb23315399 [0,2,0,0,0,0|1,0,0]=3 8732 B12R1.69 NCCCc1ccc(Cl)cc1O Amb25084560 [0,2,0,0,0,0|1,0,0]=3 8733 B12R1.69 NCCCc1ccc(Cl)nc1Cl Amb26591108 [0,2,0,0,0,0|2,0,0]=4 8734 B12R1.69 NCCCc1ccc(F)cc1Br Amb9304914 [0,2,0,0,0,0|1,0,0]=3 8735 B12R1.69 NCCCc1ccc(F)cc1Cl Amb9304919 [0,2,0,0,0,0|1,0,0]=3 8736 B12R1.69 NCCCc1ccc(F)cc1F Amb17204313 [0,2,0,0,0,0|1,0,0]=3 8737 B12R1.69 NCCCc1ccc(O)cc1Cl Amb18556149 [0,2,0,0,0,0|1,0,0]=3 8738 B12R1.69 NCCCc1ccc(O)cc1F Amb27389254 [0,2,0,0,0,0|1,0,0]=3 8739 B12R1.69 NCCCc1ccc(O)cc1O Amb18054814 [0,2,0,0,0,0|1,0,0]=3 8740 B12R1.69 NCCCc1cnc(Cl)cc1Cl Amb33256849 [0,2,0,0,0,0|2,0,0]=4 8741 B12R1.69 NCCCc1ncc(F)cc1Cl Amb28041437 [0,2,0,0,0,0|2,0,0]=4 8742 B12R1.69 NCCNc1ccc(Br)cc1Br Amb27416820 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.69 NCCNc1ccc(Cl)cc1Br Amb27416757 [0,2,0,0,0,0|2,0,0]=4 8744 B12R1.69 NCCNc1ccc(Cl)cc1Cl Amb17091081 [0,2,0,0,0,0|2,0,0]=4 8745 B12R1.69 NCCNc1ccc(Cl)cc1I Amb27416756 [0,2,0,0,0,0|2,0,0]=4 8746 B12R1.69 NCCNc1ccc(F)cc1F Amb17057761 [0,2,0,0,0,0|2,0,0]=4 8747 B12R1.69 NCCNc1ccc(I)cc1F Amb35597039 [0,2,0,0,0,0|2,0,0]=4 8748 B12R1.69 NCCNc1ccc(N)cc1F Amb18991505 [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.69 NCCNc1ccc(O)cc1Cl Amb35735283 [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.69 NCCOc1ccc(Br)cc1Br Amb17381668 [0,2,0,0,0,0|2,0,0]=4 8751 B12R1.69 NCCOc1ccc(Br)cc1Cl Amb5781232 [0,2,0,0,0,0|2,0,0]=4 8752 B12R1.69 NCCOc1ccc(Br)cc1F Amb9207748 [0,2,0,0,0,0|2,0,0]=4 8753 B12R1.69 NCCOc1ccc(Br)cc1O Amb33389601 [0,2,0,0,0,0|2,0,0]=4 8754 B12R1.69 NCCOc1ccc(Cl)cc1Br Amb5781250 [0,2,0,0,0,0|2,0,0]=4 8755 B12R1.69 NCCOc1ccc(Cl)cc1Cl Amb534949 [0,2,0,0,0,0|2,0,0]=4 8756 B12R1.69 NCCOc1ccc(Cl)cc1F Amb25192665 [0,2,0,0,0,0|2,0,0]=4 8757 B12R1.69 NCCOc1ccc(Cl)cc1O Amb33260847 [0,2,0,0,0,0|2,0,0]=4 8758 B12R1.69 NCCOc1ccc(F)cc1Br Amb5781248 [0,2,0,0,0,0|2,0,0]=4 8759 B12R1.69 NCCOc1ccc(F)cc1Cl Amb2150774 [0,2,0,0,0,0|2,0,0]=4 8760 B12R1.69 NCCOc1ccc(F)cc1Cl Amb857218 [0,2,0,0,0,0|2,0,0]=4 8761 B12R1.69 NCCOc1ccc(F)cc1F Amb1139149 [0,2,0,0,0,0|2,0,0]=4 8762 B12R1.69 NCCOc1ccc(F)cc1F Amb19426831 [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.69 NCCOc1ccc(N)cc1N Amb27650622 [0,2,0,0,0,0|2,0,0]=4 8764 B12R1.69 NCCOc1ccc(O)cc1Cl Amb33056626 [0,2,0,0,0,0|2,0,0]=4 8765 B12R1.69 NCCOc1ccc(O)cc1F Amb33376512 [0,2,0,0,0,0|2,0,0]=4 8766 B12R1.69 NCCOc1ccc(O)cc1O Amb33268971 [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.69 NCCSc1ccc(Br)cc1N Amb18291323 [0,2,0,0,0,0|2,0,0]=4 8768 B12R1.69 NCCSc1ccc(N)cc1Br Amb28127135 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.69 NNCCc1ccc(Cl)cc1Cl Amb17402983 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.69 NNCCc1ccc(Cl)cc1Cl Amb19887737 [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.69 NNCCc1ccc(F)cc1F Amb27168587 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.69 NOCCc1ccc(Br)cc1Cl Amb33334550 [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.69 NOCCc1ccc(Br)cc1F Amb33450284 [0,2,0,0,0,0|2,0,0]=4 8774 B12R1.69 NOCCc1ccc(Br)cc1O Amb33389159 [0,2,0,0,0,0|2,0,0]=4 8775 B12R1.69 NOCCc1ccc(Cl)cc1Br Amb33478346 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.69 NOCCc1ccc(Cl)cc1Cl Amb18655205 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.69 NOCCc1ccc(Cl)cc1F Amb33052645 [0,2,0,0,0,0|2,0,0]=4 8778 B12R1.69 NOCCc1ccc(Cl)cc1O Amb33260446 [0,2,0,0,0,0|2,0,0]=4 8779 B12R1.69 NOCCc1ccc(F)cc1Br Amb33336569 [0,2,0,0,0,0|2,0,0]=4 8780 B12R1.69 NOCCc1ccc(F)cc1Cl Amb33258369 [0,2,0,0,0,0|2,0,0]=4 8781 B12R1.69 NOCCc1ccc(F)cc1F Amb33196333 [0,2,0,0,0,0|2,0,0]=4 8782 B12R1.69 NOCCc1ccc(O)cc1Cl Amb33056572 [0,2,0,0,0,0|2,0,0]=4 8783 B12R1.69 NOCCc1ccc(O)cc1F Amb33377246 [0,2,0,0,0,0|2,0,0]=4 8784 B12R1.69 NOCCc1ccc(O)cc1O Amb33270126 [0,2,0,0,0,0|2,0,0]=4 8785 B12R1.69 Nc1cc(Br)ccc1CCCCl Amb27790897 [0,2,0,0,0,0|1,0,0]=3 8786 B12R1.69 Nc1cc(Br)ccc1NCCF Amb28366400 [0,2,0,0,0,0|2,0,0]=4 8787 B12R1.69 Nc1cc(Br)ccc1NCCO Amb7768140 [0,2,0,0,0,0|1,0,0]=3 8788 B12R1.69 Nc1cc(Br)ccc1OCCF Amb24758558 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.69 Nc1cc(Br)ccc1OCCO Amb6680947 [0,2,0,0,0,0|1,0,0]=3 8790 B12R1.69 Nc1cc(Br)cnc1NCCO Amb17209005 [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.69 Nc1cc(Br)cnc1OCCO Amb18973561 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.69 Nc1cc(Br)cnc1SCCO Amb18973564 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.69 Nc1cc(Cl)ccc1CCCO Amb28346320 [0,2,0,0,0,0|0,0,0]=2 8794 B12R1.69 Nc1cc(Cl)ccc1NCCO Amb7768147 [0,2,0,0,0,0|1,0,0]=3 8795 B12R1.69 Nc1cc(Cl)ccc1OCCF Amb24487547 [0,2,0,0,0,0|2,0,0]=4 8796 B12R1.69 Nc1cc(Cl)ccc1OCCO Amb6702383 [0,2,0,0,0,0|1,0,0]=3 8797 B12R1.69 Nc1cc(Cl)cnc1NCCO Amb17208938 [0,2,0,0,0,0|2,0,0]=4 8798 B12R1.69 Nc1cc(Cl)cnc1OCCO Amb27151091 [0,2,0,0,0,0|2,0,0]=4 8799 B12R1.69 Nc1cc(F)ccc1CCC=O Amb28130009 [0,2,0,0,0,0|0,0,2]=4 8800 B12R1.69 Nc1cc(F)ccc1CCCBr Amb27614017 [0,2,0,0,0,0|1,0,0]=3 8801 B12R1.69 Nc1cc(F)ccc1CCCCl Amb27614021 [0,2,0,0,0,0|1,0,0]=3 8802 B12R1.69 Nc1cc(F)ccc1OCCF Amb24437013 [0,2,0,0,0,0|2,0,0]=4 8803 B12R1.69 Nc1cc(F)ccc1OCCO Amb6680950 [0,2,0,0,0,0|1,0,0]=3 8804 B12R1.69 Nc1cc(F)cnc1NCCO Amb27959960 [0,2,0,0,0,0|2,0,0]=4 8805 B12R1.69 Nc1cc(F)cnc1OCCO Amb27959858 [0,2,0,0,0,0|2,0,0]=4 8806 B12R1.69 Nc1cc(I)ccc1CCCBr Amb27847294 [0,2,0,0,0,0|1,0,0]=3 8807 B12R1.69 Nc1cc(I)ccc1OCCO Amb25150025 [0,2,0,0,0,0|1,0,0]=3 8808 B12R1.69 Nc1cc(I)ccc1SCCO Amb28196227 [0,2,0,0,0,0|1,0,0]=3 8809 B12R1.69 Nc1cc(O)ccc1CCCBr Amb27442057 [0,2,0,0,0,0|1,0,0]=3 8810 B12R1.69 Nc1cc(O)ccc1CCCCl Amb27849133 [0,2,0,0,0,0|1,0,0]=3 8811 B12R1.69 Nc1cc(O)ccc1NCCO Amb28288398 [0,2,0,0,0,0|1,0,0]=3 8812 B12R1.69 Nc1ccc(CCC=O)c(Br)c1 Amb28196038 [0,2,0,0,0,0|0,0,2]=4 8813 B12R1.69 Nc1ccc(CCCBr)c(Br)c1 Amb25243524 [0,2,0,0,0,0|1,0,0]=3 8814 B12R1.69 Nc1ccc(CCCBr)c(F)c1 Amb27877558 [0,2,0,0,0,0|1,0,0]=3 8815 B12R1.69 Nc1ccc(CCCBr)c(N)c1 Amb27462505 [0,2,0,0,0,0|1,0,0]=3 8816 B12R1.69 Nc1ccc(CCCCl)c(Br)c1 Amb27964587 [0,2,0,0,0,0|1,0,0]=3 8817 B12R1.69 Nc1ccc(CCCCl)c(Cl)c1 Amb28196582 [0,2,0,0,0,0|1,0,0]=3 8818 B12R1.69 Nc1ccc(CCCCl)c(F)c1 Amb28286909 [0,2,0,0,0,0|1,0,0]=3 8819 B12R1.69 Nc1ccc(CCCCl)c(S)c1 Amb27616195 [0,2,0,0,0,0|1,0,0]=3 8820 B12R1.69 Nc1ccc(NCCO)c(F)c1 Amb7783383 [0,2,0,0,0,0|1,0,0]=3 8821 B12R1.69 Nc1ccc(OCCF)c(Br)c1 Amb32939660 [0,2,0,0,0,0|2,0,0]=4 8822 B12R1.69 Nc1ccc(OCCF)c(Cl)c1 Amb25866967 [0,2,0,0,0,0|2,0,0]=4 8823 B12R1.69 Nc1ccc(OCCF)c(F)c1 Amb25771296 [0,2,0,0,0,0|2,0,0]=4 8824 B12R1.69 Nc1ccc(OCCO)c(Br)c1 Amb18981633 [0,2,0,0,0,0|1,0,0]=3 8825 B12R1.69 Nc1ccc(OCCO)c(Cl)c1 Amb6702385 [0,2,0,0,0,0|1,0,0]=3 8826 B12R1.69 Nc1ccc(OCCO)c(F)c1 Amb7783488 [0,2,0,0,0,0|1,0,0]=3 8827 B12R1.69 Nc1ccc(OCCO)c(I)c1 Amb25035161 [0,2,0,0,0,0|1,0,0]=3 8828 B12R1.69 Nc1ccc(OCCO)c(N)c1 Amb22734340 [0,2,0,0,0,0|1,0,0]=3 8829 B12R1.69 Nc1ccc(OCCO)c(N)c1 Amb4027859 [0,2,0,0,0,0|1,0,0]=3 8830 B12R1.69 Nc1ccc(OCCO)c(N)c1 Amb6383324 [0,2,0,0,0,0|1,0,0]=3 8831 B12R1.69 Nc1ccc(SCCF)c(Br)c1 Amb27754657 [0,2,0,0,0,0|2,0,0]=4 8832 B12R1.69 Nc1ccc(SCCF)c(Cl)c1 Amb27263275 [0,2,0,0,0,0|2,0,0]=4 8833 B12R1.69 Nc1ccc(SCCO)c(Cl)c1 Amb8936074 [0,2,0,0,0,0|1,0,0]=3 8834 B12R1.69 Nc1ccc(SCCO)c(O)c1 Amb27770270 [0,2,0,0,0,0|1,0,0]=3 8835 B12R1.69 Nc1cnc(NCCO)c(Br)c1 Amb17213688 [0,2,0,0,0,0|2,0,0]=4 8836 B12R1.69 Nc1cnc(OCCO)c(Br)c1 Amb25882403 [0,2,0,0,0,0|2,0,0]=4 8837 B12R1.69 Nc1cnc(OCCO)c(Cl)c1 Amb25121631 [0,2,0,0,0,0|2,0,0]=4 8838 B12R1.69 Nc1cnc(OCCO)c(N)c1 Amb27616898 [0,2,0,0,0,0|2,0,0]=4 8839 B12R1.69 O=C1C=CN(CCCF)C(Cl)=C1 Amb28344546 [0,2,0,0,0,0|2,0,0]=4 8840 B12R1.69 O=C1C=CN(CCCO)C(=O)N1 Amb27977065 [0,2,0,0,0,0|2,0,0]=4 8841 B12R1.69 O=C1NC(=S)NC=C1CCCO Amb27875126 [0,2,0,0,0,0|2,0,0]=4 8842 B12R1.69 O=C1NC=C(CCCO)C(=O)N1 Amb26595264 [0,2,0,0,0,0|2,0,0]=4 8843 B12R1.69 O=CCCc1ccc(Br)cc1Br Amb25995251 [0,2,0,0,0,0|0,0,2]=4 8844 B12R1.69 O=CCCc1ccc(Br)cc1Cl Amb24455343 [0,2,0,0,0,0|0,0,2]=4 8845 B12R1.69 O=CCCc1ccc(Br)cc1F Amb24078525 [0,2,0,0,0,0|0,0,2]=4 8846 B12R1.69 O=CCCc1ccc(Br)cc1I Amb28398138 [0,2,0,0,0,0|0,0,2]=4 8847 B12R1.69 O=CCCc1ccc(Br)cc1O Amb25883424 [0,2,0,0,0,0|0,0,2]=4 8848 B12R1.69 O=CCCc1ccc(Cl)cc1Br Amb24483728 [0,2,0,0,0,0|0,0,2]=4 8849 B12R1.69 O=CCCc1ccc(Cl)cc1Cl Amb17612588 [0,2,0,0,0,0|0,0,2]=4 8850 B12R1.69 O=CCCc1ccc(Cl)cc1F Amb25149928 [0,2,0,0,0,0|0,0,2]=4 8851 B12R1.69 O=CCCc1ccc(Cl)cc1I Amb26048883 [0,2,0,0,0,0|0,0,2]=4 8852 B12R1.69 O=CCCc1ccc(Cl)cc1O Amb27175625 [0,2,0,0,0,0|0,0,2]=4 8853 B12R1.69 O=CCCc1ccc(F)cc1Br Amb25189497 [0,2,0,0,0,0|0,0,2]=4 8854 B12R1.69 O=CCCc1ccc(F)cc1Cl Amb19070647 [0,2,0,0,0,0|0,0,2]=4 8855 B12R1.69 O=CCCc1ccc(F)cc1F Amb18801723 [0,2,0,0,0,0|0,0,2]=4 8856 B12R1.69 O=CCCc1ccc(F)cc1I Amb25305164 [0,2,0,0,0,0|0,0,2]=4 8857 B12R1.69 O=CCCc1ccc(F)cc1O Amb26517520 [0,2,0,0,0,0|0,0,2]=4 8858 B12R1.69 O=CCCc1ccc(I)cc1Br Amb27461905 [0,2,0,0,0,0|0,0,2]=4 8859 B12R1.69 O=CCCc1ccc(I)cc1Cl Amb27461948 [0,2,0,0,0,0|0,0,2]=4 8860 B12R1.69 O=CCCc1ccc(I)cc1F Amb24728158 [0,2,0,0,0,0|0,0,2]=4 8861 B12R1.69 O=CCCc1ccc(I)cc1O Amb27238630 [0,2,0,0,0,0|0,0,2]=4 8862 B12R1.69 O=CCCc1ccc(I)cc1S Amb27423734 [0,2,0,0,0,0|0,0,2]=4 8863 B12R1.69 O=CCCc1ccc(O)cc1Cl Amb28291426 [0,2,0,0,0,0|0,0,2]=4 8864 B12R1.69 O=CCCc1ccc(O)cc1F Amb26880100 [0,2,0,0,0,0|0,0,2]=4 8865 B12R1.69 O=CCCc1ccc(O)cc1O Amb25993938 [0,2,0,0,0,0|0,0,2]=4 8866 B12R1.69 O=CCCc1ccc(S)cc1F Amb28287544 [0,2,0,0,0,0|0,0,2]=4 8867 B12R1.69 O=CCCc1ccc(S)cc1I Amb27647094 [0,2,0,0,0,0|0,0,2]=4 8868 B12R1.69 OCC#Cc1ccc(Br)cc1F Amb32654824 [0,2,0,0,0,0|0,0,2]=4 8869 B12R1.69 OCC#Cc1ccc(Cl)cc1Cl Amb9777296 [0,2,0,0,0,0|0,0,2]=4 8870 B12R1.69 OCC#Cc1ccc(Cl)cc1F Amb2423467 [0,2,0,0,0,0|0,0,2]=4 8871 B12R1.69 OCC#Cc1ccc(F)cc1F Amb9777281 [0,2,0,0,0,0|0,0,2]=4 8872 B12R1.69 OCCCc1ccc(Br)cc1Cl Amb26481654 [0,2,0,0,0,0|0,0,0]=2 8873 B12R1.69 OCCCc1ccc(Br)cc1F Amb20171344 [0,2,0,0,0,0|0,0,0]=2 8874 B12R1.69 OCCCc1ccc(Br)cc1O Amb33389673 [0,2,0,0,0,0|0,0,0]=2 8875 B12R1.69 OCCCc1ccc(Cl)cc1Br Amb32944418 [0,2,0,0,0,0|0,0,0]=2 8876 B12R1.69 OCCCc1ccc(Cl)cc1Cl Amb17402981 [0,2,0,0,0,0|0,0,0]=2 8877 B12R1.69 OCCCc1ccc(Cl)cc1F Amb25720643 [0,2,0,0,0,0|0,0,0]=2 8878 B12R1.69 OCCCc1ccc(Cl)cc1O Amb33261476 [0,2,0,0,0,0|0,0,0]=2 8879 B12R1.69 OCCCc1ccc(F)cc1Br Amb24090111 [0,2,0,0,0,0|0,0,0]=2 8880 B12R1.69 OCCCc1ccc(F)cc1Cl Amb19072148 [0,2,0,0,0,0|0,0,0]=2 8881 B12R1.69 OCCCc1ccc(F)cc1F Amb17605787 [0,2,0,0,0,0|0,0,0]=2 8882 B12R1.69 OCCCc1ccc(F)cc1O Amb25106077 [0,2,0,0,0,0|0,0,0]=2 8883 B12R1.69 OCCCc1ccc(O)cc1Cl Amb25690683 [0,2,0,0,0,0|0,0,0]=2 8884 B12R1.69 OCCCc1ccc(O)cc1F Amb25281830 [0,2,0,0,0,0|0,0,0]=2 8885 B12R1.69 OCCCc1ccc(O)cc1O Amb18646882 [0,2,0,0,0,0|0,0,0]=2 8886 B12R1.69 OCCCc1cnc(Cl)cc1Cl Amb33259524 [0,2,0,0,0,0|1,0,0]=3 8887 B12R1.69 OCCNc1ccc(F)cc1F Amb6712905 [0,2,0,0,0,0|1,0,0]=3 8888 B12R1.69 OCCNc1ccc(F)cc1I Amb27881383 [0,2,0,0,0,0|1,0,0]=3 8889 B12R1.69 OCCNc1ccc(I)cc1F Amb35589462 [0,2,0,0,0,0|1,0,0]=3 8890 B12R1.69 OCCNc1cnc(Cl)cc1I Amb27478630 [0,2,0,0,0,0|2,0,0]=4 8891 B12R1.69 OCCNc1ncc(Br)cc1F Amb27977089 [0,2,0,0,0,0|2,0,0]=4 8892 B12R1.69 OCCNc1ncc(Cl)cc1F Amb19959550 [0,2,0,0,0,0|2,0,0]=4 8893 B12R1.69 OCCNc1ncc(F)cc1F Amb27837246 [0,2,0,0,0,0|2,0,0]=4 8894 B12R1.69 OCCOc1ccc(Br)cc1Cl Amb9245005 [0,2,0,0,0,0|1,0,0]=3 8895 B12R1.69 OCCOc1ccc(Cl)cc1Br Amb2712563 [0,2,0,0,0,0|1,0,0]=3 8896 B12R1.69 OCCOc1ccc(Cl)cc1Cl Amb1050772 [0,2,0,0,0,0|1,0,0]=3 8897 B12R1.69 OCCOc1ccc(Cl)cc1F Amb27614577 [0,2,0,0,0,0|1,0,0]=3 8898 B12R1.69 OCCOc1ccc(F)cc1Cl Amb17105030 [0,2,0,0,0,0|1,0,0]=3 8899 B12R1.69 OCCOc1ccc(F)cc1F Amb9274277 [0,2,0,0,0,0|1,0,0]=3 8900 B12R1.69 OCCOc1ccc(I)cc1Br Amb27242867 [0,2,0,0,0,0|1,0,0]=3 8901 B12R1.69 OCCOc1cnc(F)cc1Cl Amb27809244 [0,2,0,0,0,0|2,0,0]=4 8902 B12R1.69 OCCOc1ncc(Br)cc1Br Amb27593802 [0,2,0,0,0,0|2,0,0]=4 8903 B12R1.69 OCCOc1ncc(Br)cc1Cl Amb27454120 [0,2,0,0,0,0|2,0,0]=4 8904 B12R1.69 OCCOc1ncc(Br)cc1O Amb21959464 [0,2,0,0,0,0|2,0,0]=4 8905 B12R1.69 OCCSc1ccc(Cl)cc1Cl Amb2686952 [0,2,0,0,0,0|1,0,0]=3 8906 B12R1.69 OCCSc1ccc(F)cc1F Amb2687260 [0,2,0,0,0,0|1,0,0]=3 8907 B12R1.69 OCCSc1ncc(Br)cc1F Amb27977090 [0,2,0,0,0,0|2,0,0]=4 8908 B12R1.69 OC\C=C\c1ccc(Br)cc1Cl Amb33240476 [0,2,0,0,0,0|0,0,2]=4 8909 B12R1.69 OC\C=C\c1ccc(Br)cc1F Amb26961555 [0,2,0,0,0,0|0,0,2]=4 8910 B12R1.69 OC\C=C\c1ccc(Br)cc1O Amb33389592 [0,2,0,0,0,0|0,0,2]=4 8911 B12R1.69 OC\C=C\c1ccc(Cl)cc1Br Amb33451394 [0,2,0,0,0,0|0,0,2]=4 8912 B12R1.69 OC\C=C\c1ccc(Cl)cc1Cl Amb22499014 [0,2,0,0,0,0|0,0,2]=4 8913 B12R1.69 OC\C=C\c1ccc(Cl)cc1F Amb25697673 [0,2,0,0,0,0|0,0,2]=4 8914 B12R1.69 OC\C=C\c1ccc(Cl)cc1O Amb33260514 [0,2,0,0,0,0|0,0,2]=4 8915 B12R1.69 OC\C=C\c1ccc(F)cc1Br Amb33242604 [0,2,0,0,0,0|0,0,2]=4 8916 B12R1.69 OC\C=C\c1ccc(F)cc1Cl Amb27390354 [0,2,0,0,0,0|0,0,2]=4 8917 B12R1.69 OC\C=C\c1ccc(F)cc1F Amb23442759 [0,2,0,0,0,0|0,0,2]=4 8918 B12R1.69 OC\C=C\c1ccc(O)cc1Cl Amb33226011 [0,2,0,0,0,0|0,0,2]=4 8919 B12R1.69 OC\C=C\c1ccc(O)cc1F Amb35696348 [0,2,0,0,0,0|0,0,2]=4 8920 B12R1.69 OC\C=C\c1ccc(O)cc1O Amb33269718 [0,2,0,0,0,0|0,0,2]=4 8921 B12R1.69 Oc1cc(Br)ccc1CCCBr Amb27613860 [0,2,0,0,0,0|1,0,0]=3 8922 B12R1.69 Oc1cc(Br)ccc1CCCCl Amb28286872 [0,2,0,0,0,0|1,0,0]=3 8923 B12R1.69 Oc1cc(Br)ccc1CCCS Amb33389685 [0,2,0,0,0,0|0,1,0]=3 8924 B12R1.69 Oc1cc(Cl)ccc1CCCBr Amb24743949 [0,2,0,0,0,0|1,0,0]=3 8925 B12R1.69 Oc1cc(Cl)ccc1CCCS Amb33413683 [0,2,0,0,0,0|0,1,0]=3 8926 B12R1.69 Oc1cc(F)ccc1CCCBr Amb27877080 [0,2,0,0,0,0|1,0,0]=3 8927 B12R1.69 Oc1cc(F)ccc1CCCCl Amb28423941 [0,2,0,0,0,0|1,0,0]=3 8928 B12R1.69 Oc1cc(I)ccc1CCCBr Amb27230861 [0,2,0,0,0,0|1,0,0]=3 8929 B12R1.69 Oc1ccc(CCCBr)c(Cl)c1 Amb27428168 [0,2,0,0,0,0|1,0,0]=3 8930 B12R1.69 Oc1ccc(CCCBr)c(F)c1 Amb27965291 [0,2,0,0,0,0|1,0,0]=3 8931 B12R1.69 Oc1ccc(CCCBr)c(O)c1 Amb27462654 [0,2,0,0,0,0|1,0,0]=3 8932 B12R1.69 Oc1ccc(CCCCl)c(Br)c1 Amb27968276 [0,2,0,0,0,0|1,0,0]=3 8933 B12R1.69 Oc1ccc(CCCCl)c(Cl)c1 Amb27215608 [0,2,0,0,0,0|1,0,0]=3 8934 B12R1.69 Oc1ccc(CCCCl)c(F)c1 Amb27423574 [0,2,0,0,0,0|1,0,0]=3 8935 B12R1.69 Oc1ccc(CCCCl)c(I)c1 Amb27439362 [0,2,0,0,0,0|1,0,0]=3 8936 B12R1.69 Oc1ccc(CCCS)c(Cl)c1 Amb33057343 [0,2,0,0,0,0|0,1,0]=3 8937 B12R1.69 Oc1ccc(CCCS)c(F)c1 Amb33376506 [0,2,0,0,0,0|0,1,0]=3 8938 B12R1.69 Oc1ccc(CCCS)c(O)c1 Amb33268961 [0,2,0,0,0,0|0,1,0]=3 8939 B12R1.69 SCCCc1ccc(Br)cc1Cl Amb33485051 [0,2,0,0,0,0|0,1,0]=3 8940 B12R1.69 SCCCc1ccc(Cl)cc1Br Amb33478798 [0,2,0,0,0,0|0,1,0]=3 8941 B12R1.69 SCCCc1ccc(Cl)cc1Cl Amb26961727 [0,2,0,0,0,0|0,1,0]=3 8942 B12R1.69 SCCCc1cnc(Cl)cc1Cl Amb33259610 [0,2,0,0,0,0|1,1,0]=4 8943 B12R1.69 SCCOc1ccc(Cl)cc1Cl Amb2794987 [0,2,0,0,0,0|1,1,0]=4 8944 B12R1.69 Sc1cc(Br)ccc1CCCBr Amb27445823 [0,2,0,0,0,0|1,0,0]=3 8945 B12R1.69 Sc1cc(Br)ccc1CCCCl Amb26894885 [0,2,0,0,0,0|1,0,0]=3 8946 B12R1.69 Sc1cc(Cl)ccc1CCCBr Amb27200568 [0,2,0,0,0,0|1,0,0]=3 8947 B12R1.69 Sc1cc(I)ccc1CCCBr Amb27441617 [0,2,0,0,0,0|1,0,0]=3 8948 B12R1.69 Sc1cc(I)ccc1CCCCl Amb27624810 [0,2,0,0,0,0|1,0,0]=3 8949 B12R1.69 Sc1ccc(CCCBr)c(Br)c1 Amb27796646 [0,2,0,0,0,0|1,0,0]=3 8950 B12R1.69 Sc1ccc(CCCBr)c(S)c1 Amb27813667 [0,2,0,0,0,0|1,0,0]=3 8951 B12R1.69 Sc1ccc(CCCCl)c(Br)c1 Amb26445164 [0,2,0,0,0,0|1,0,0]=3 8952 B12R1.69 [C-]#[N+]CCc1ccc(Br)cc1Br Amb33432301 [0,2,0,0,0,0|2,0,0]=4 8953 B12R1.69 [C-]#[N+]CCc1ccc(Br)cc1C Amb33431499 [0,2,0,0,0,0|2,0,0]=4 8954 B12R1.69 [C-]#[N+]CCc1ccc(Br)cc1Cl Amb33334314 [0,2,0,0,0,0|2,0,0]=4 8955 B12R1.69 [C-]#[N+]CCc1ccc(Br)cc1F Amb33450303 [0,2,0,0,0,0|2,0,0]=4 8956 B12R1.69 [C-]#[N+]CCc1ccc(C)cc1Br Amb33450465 [0,2,0,0,0,0|2,0,0]=4 8957 B12R1.69 [C-]#[N+]CCc1ccc(C)cc1C Amb33312649 [0,2,0,0,0,0|2,0,0]=4 8958 B12R1.69 [C-]#[N+]CCc1ccc(C)cc1Cl Amb33058163 [0,2,0,0,0,0|2,0,0]=4 8959 B12R1.69 [C-]#[N+]CCc1ccc(C)cc1F Amb33323357 [0,2,0,0,0,0|2,0,0]=4 8960 B12R1.69 [C-]#[N+]CCc1ccc(Cl)cc1Br Amb33478323 [0,2,0,0,0,0|2,0,0]=4 8961 B12R1.69 [C-]#[N+]CCc1ccc(Cl)cc1C Amb33261011 [0,2,0,0,0,0|2,0,0]=4 8962 B12R1.69 [C-]#[N+]CCc1ccc(Cl)cc1Cl Amb2686900 [0,2,0,0,0,0|2,0,0]=4 8963 B12R1.69 [C-]#[N+]CCc1ccc(Cl)cc1F Amb33052614 [0,2,0,0,0,0|2,0,0]=4 8964 B12R1.69 [C-]#[N+]CCc1ccc(F)cc1Br Amb33336558 [0,2,0,0,0,0|2,0,0]=4 8965 B12R1.69 [C-]#[N+]CCc1ccc(F)cc1C Amb33374768 [0,2,0,0,0,0|2,0,0]=4 8966 B12R1.69 [C-]#[N+]CCc1ccc(F)cc1Cl Amb33258104 [0,2,0,0,0,0|2,0,0]=4 8967 B12R1.69 [C-]#[N+]CCc1ccc(F)cc1F Amb33196374 [0,2,0,0,0,0|2,0,0]=4 8968 B12R1.71 C#CCCc1ccc(C#C)cc1 Amb32882252 [0,2,0,0,0,0|1,0,1]=4 8969 B12R1.71 C#CCCc1ccc(C#N)cc1 Amb18114977 [0,2,0,0,0,0|1,0,1]=4 8970 B12R1.71 C#CCCc1ccc(CC)cc1 Amb33195449 [0,2,0,0,0,0|1,0,1]=4 8971 B12R1.71 C#CCCc1ccc(CO)cc1 Amb25137369 [0,2,0,0,0,0|1,0,1]=4 8972 B12R1.71 C#CCCc1ccc(OC)cc1 Amb18115927 [0,2,0,0,0,0|1,0,1]=4 8973 B12R1.71 C#CCCc1ccc(SC)cc1 Amb33375614 [0,2,0,0,0,0|1,0,1]=4 8974 B12R1.71 C#Cc1ccc(C#CCO)cc1 Amb27978539 [0,2,0,0,0,0|0,0,2]=4 8975 B12R1.71 C#Cc1ccc(CCC#N)cc1 Amb32877886 [0,2,0,0,0,0|1,0,1]=4 8976 B12R1.71 C#Cc1ccc(CCC=O)cc1 Amb32882245 [0,2,0,0,0,0|0,0,2]=4 8977 B12R1.71 C#Cc1ccc(CCCBr)cc1 Amb33432187 [0,2,0,0,0,0|1,0,0]=3 8978 B12R1.71 C#Cc1ccc(CCCC)cc1 Amb2722839 [0,2,0,0,0,0|1,0,0]=3 8979 B12R1.71 C#Cc1ccc(CCCN)cc1 Amb32877911 [0,2,0,0,0,0|1,0,0]=3 8980 B12R1.71 C#Cc1ccc(CCCN)cn1 Amb25990942 [0,2,0,0,0,0|2,0,0]=4 8981 B12R1.71 C#Cc1ccc(CCCO)cc1 Amb32882246 [0,2,0,0,0,0|0,0,0]=2 8982 B12R1.71 C#Cc1ccc(CCCS)cc1 Amb32881952 [0,2,0,0,0,0|0,1,0]=3 8983 B12R1.71 C#Cc1ccc(CCNC)cc1 Amb32877907 [0,2,0,0,0,0|2,0,0]=4 8984 B12R1.71 C#Cc1ccc(CCON)cc1 Amb32876902 [0,2,0,0,0,0|2,0,0]=4 8985 B12R1.71 C#Cc1ccc(NCCO)cc1 Amb27981963 [0,2,0,0,0,0|1,0,0]=3 8986 B12R1.71 C#Cc1ccc(OCCC)cc1 Amb2722835 [0,2,0,0,0,0|2,0,0]=4 8987 B12R1.71 C#Cc1ccc(OCCN)cc1 Amb32882222 [0,2,0,0,0,0|2,0,0]=4 8988 B12R1.71 C#Cc1ccc(\C=C\CO)cc1 Amb33267354 [0,2,0,0,0,0|0,0,2]=4 8989 B12R1.71 C=CCCc1ccc(C=O)cc1 Amb24102789 [0,2,0,0,0,0|1,0,1]=4 8990 B12R1.71 C=CCCc1ccc(OC)cc1 Amb6299125 [0,2,0,0,0,0|1,0,1]=4 8991 B12R1.71 C=Cc1ccc(CCCN)cc1 Amb33717616 [0,2,0,0,0,0|1,0,0]=3 8992 B12R1.71 C=Cc1ccc(NCCO)cc1 Amb28458549 [0,2,0,0,0,0|1,0,0]=3 8993 B12R1.71 C=Cc1ccc(\C=C\CO)cc1 Amb27836019 [0,2,0,0,0,0|0,0,2]=4 8994 B12R1.71 CCCC[n+]1ccc(CN)cc1 Amb24113147 [0,2,0,0,0,0|2,0,0]=4 8995 B12R1.71 CCCCc1ccc(C#N)cc1 Amb2685606 [0,2,0,0,0,0|1,0,0]=3 8996 B12R1.71 CCCCc1ccc(C=O)cc1 Amb3939917 [0,2,0,0,0,0|1,0,0]=3 8997 B12R1.71 CCCCc1ccc(CBr)cc1 Amb24065906 [0,2,0,0,0,0|1,0,0]=3 8998 B12R1.71 CCCCc1ccc(CCl)cc1 Amb7777303 [0,2,0,0,0,0|1,0,0]=3 8999 B12R1.71 CCCCc1ccc(CN)cc1 Amb6357566 [0,2,0,0,0,0|1,0,0]=3 9000 B12R1.71 CCCCc1ccc(CO)cc1 Amb3939151 [0,2,0,0,0,0|1,0,0]=3 9001 B12R1.71 CCCCc1ccc(C[NH3+])cc1 Amb33513032 [0,2,0,0,0,0|1,0,0]=3 9002 B12R1.71 CCCCc1ccc(NC)cc1 Amb20623748 [0,2,0,0,0,0|1,0,0]=3 9003 B12R1.71 CCCCc1ccc(NC)cc1 Amb8951725 [0,2,0,0,0,0|1,0,0]=3 9004 B12R1.71 CCCCc1ccc(NN)cc1 Amb17949643 [0,2,0,0,0,0|1,0,0]=3 9005 B12R1.71 CCCCc1ccc(NN)cc1 Amb2234491 [0,2,0,0,0,0|1,0,0]=3 9006 B12R1.71 CCCCc1ccc([Mg]Br)cc1 Amb22000527 [0,2,0,0,0,0|1,0,0]=3 9007 B12R1.71 CCCNc1ccc(C#N)cc1 Amb6679338 [0,2,0,0,0,0|2,0,0]=4 9008 B12R1.71 CCCNc1ccc(CC)cc1 Amb6698788 [0,2,0,0,0,0|2,0,0]=4 9009 B12R1.71 CCCNc1ccc(CCl)cc1 Amb28366603 [0,2,0,0,0,0|2,0,0]=4 9010 B12R1.71 CCCNc1ccc(CN)cc1 Amb18800849 [0,2,0,0,0,0|2,0,0]=4 9011 B12R1.71 CCCNc1ccc(OC)cc1 Amb4313500 [0,2,0,0,0,0|2,0,0]=4 9012 B12R1.71 CCCOc1ccc(C#N)cc1 Amb2722817 [0,2,0,0,0,0|2,0,0]=4 9013 B12R1.71 CCCOc1ccc(C=O)cc1 Amb1073495 [0,2,0,0,0,0|2,0,0]=4 9014 B12R1.71 CCCOc1ccc(CCl)cc1 Amb6639502 [0,2,0,0,0,0|2,0,0]=4 9015 B12R1.71 CCCOc1ccc(CN)cc1 Amb1136393 [0,2,0,0,0,0|2,0,0]=4 9016 B12R1.71 CCCOc1ccc(CO)cc1 Amb3548150 [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.71 CCCOc1ccc(CS)cc1 Amb32788372 [0,2,0,0,0,0|2,0,0]=4 9018 B12R1.71 CCCOc1ccc(NC)cc1 Amb19032018 [0,2,0,0,0,0|2,0,0]=4 9019 B12R1.71 CCCOc1ccc(NN)cc1 Amb17232617 [0,2,0,0,0,0|2,0,0]=4 9020 B12R1.71 CCCOc1ccc(NN)cc1 Amb32582681 [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.71 CCCSc1ccc(CO)cc1 Amb30590042 [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.71 CCNCc1ccc(CC)cc1 Amb6864721 [0,2,0,0,0,0|2,0,0]=4 9023 B12R1.71 CCNCc1ccc(CC)cc1 Amb837628 [0,2,0,0,0,0|2,0,0]=4 9024 B12R1.71 CCNCc1ccc(CN)cc1 Amb19009735 [0,2,0,0,0,0|2,0,0]=4 9025 B12R1.71 CCNCc1ccc(CO)cc1 Amb19649772 [0,2,0,0,0,0|2,0,0]=4 9026 B12R1.71 CCNCc1ccc(OC)cc1 Amb10609135 [0,2,0,0,0,0|2,0,0]=4 9027 B12R1.71 CCNCc1ccc(OC)cc1 Amb2693200 [0,2,0,0,0,0|2,0,0]=4 9028 B12R1.71 CCNCc1ccc(SC)cc1 Amb1923472 [0,2,0,0,0,0|2,0,0]=4 9029 B12R1.71 CCNCc1ccc(SC)cc1 Amb6865251 [0,2,0,0,0,0|2,0,0]=4 9030 B12R1.71 CCOCc1ccc(C#N)cc1 Amb6266744 [0,2,0,0,0,0|2,0,0]=4 9031 B12R1.71 CCOCc1ccc(CN)cc1 Amb1128026 [0,2,0,0,0,0|2,0,0]=4 9032 B12R1.71 CCSCc1ccc(C#N)cc1 Amb6680689 [0,2,0,0,0,0|2,0,0]=4 9033 B12R1.71 CCSCc1ccc(CN)cc1 Amb9391468 [0,2,0,0,0,0|2,0,0]=4 9034 B12R1.71 CCc1ccc(C#CCO)cc1 Amb18792228 [0,2,0,0,0,0|0,0,2]=4 9035 B12R1.71 CCc1ccc(CCC#N)cc1 Amb17204305 [0,2,0,0,0,0|1,0,1]=4 9036 B12R1.71 CCc1ccc(CCC=O)cc1 Amb17081676 [0,2,0,0,0,0|0,0,2]=4 9037 B12R1.71 CCc1ccc(CCCBr)cc1 Amb17104557 [0,2,0,0,0,0|1,0,0]=3 9038 B12R1.71 CCc1ccc(CCCCl)cc1 Amb17104530 [0,2,0,0,0,0|1,0,0]=3 9039 B12R1.71 CCc1ccc(CCCN)cc1 Amb5735479 [0,2,0,0,0,0|1,0,0]=3 9040 B12R1.71 CCc1ccc(CCCO)cc1 Amb17089498 [0,2,0,0,0,0|0,0,0]=2 9041 B12R1.71 CCc1ccc(CCCO)nc1 Amb33213087 [0,2,0,0,0,0|1,0,0]=3 9042 B12R1.71 CCc1ccc(CCCS)cc1 Amb17400844 [0,2,0,0,0,0|0,1,0]=3 9043 B12R1.71 CCc1ccc(CCNC)cc1 Amb17400138 [0,2,0,0,0,0|2,0,0]=4 9044 B12R1.71 CCc1ccc(CCNN)cc1 Amb17400163 [0,2,0,0,0,0|2,0,0]=4 9045 B12R1.71 CCc1ccc(CCON)cc1 Amb33312989 [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.71 CCc1ccc(NCCCl)cc1 Amb17335668 [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.71 CCc1ccc(NCCN)cc1 Amb17057758 [0,2,0,0,0,0|2,0,0]=4 9048 B12R1.71 CCc1ccc(NCCO)cc1 Amb6713158 [0,2,0,0,0,0|1,0,0]=3 9049 B12R1.71 CCc1ccc(OCCBr)cc1 Amb1353197 [0,2,0,0,0,0|2,0,0]=4 9050 B12R1.71 CCc1ccc(OCCCl)cc1 Amb8828423 [0,2,0,0,0,0|2,0,0]=4 9051 B12R1.71 CCc1ccc(OCCN)cc1 Amb1138492 [0,2,0,0,0,0|2,0,0]=4 9052 B12R1.71 CCc1ccc(OCCN)cc1 Amb4021767 [0,2,0,0,0,0|2,0,0]=4 9053 B12R1.71 CCc1ccc(OCCO)cc1 Amb9370640 [0,2,0,0,0,0|1,0,0]=3 9054 B12R1.71 CCc1ccc(OCCS)cc1 Amb17233943 [0,2,0,0,0,0|1,1,0]=4 9055 B12R1.71 CCc1ccc(SCCN)cc1 Amb17083025 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.71 CCc1ccc(\C=C\CO)cc1 Amb23442835 [0,2,0,0,0,0|0,0,2]=4 9057 B12R1.71 CNCCc1ccc(C#N)cc1 Amb26021781 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.71 CNCCc1ccc(C#N)cc1 Amb32667707 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.71 CNCCc1ccc(OC)cc1 Amb5785542 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.71 CNCCc1ccc(SC)cc1 Amb18243817 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.71 CNc1ccc(OCCN)cc1 Amb23400492 [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.71 CNc1ncc(CCCO)cn1 Amb25129896 [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.71 COCCc1ccc(CO)cc1 Amb33545169 [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.71 COCCc1ccc(OC)cc1 Amb24064722 [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.71 COc1ccc(C#CCO)cc1 Amb8392044 [0,2,0,0,0,0|0,0,2]=4 9066 B12R1.71 COc1ccc(CCC#N)cc1 Amb2689263 [0,2,0,0,0,0|1,0,1]=4 9067 B12R1.71 COc1ccc(CCC=O)cc1 Amb6306199 [0,2,0,0,0,0|0,0,2]=4 9068 B12R1.71 COc1ccc(CCCBr)cc1 Amb17104559 [0,2,0,0,0,0|1,0,0]=3 9069 B12R1.71 COc1ccc(CCCBr)cn1 Amb33334554 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.71 COc1ccc(CCCBr)nc1 Amb33477677 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.71 COc1ccc(CCCCl)cc1 Amb9004328 [0,2,0,0,0,0|1,0,0]=3 9072 B12R1.71 COc1ccc(CCCI)cc1 Amb33801571 [0,2,0,0,0,0|1,0,0]=3 9073 B12R1.71 COc1ccc(CCCN)cc1 Amb1092530 [0,2,0,0,0,0|1,0,0]=3 9074 B12R1.71 COc1ccc(CCCN)cc1 Amb13949143 [0,2,0,0,0,0|1,0,0]=3 9075 B12R1.71 COc1ccc(CCCN)cn1 Amb33358938 [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.71 COc1ccc(CCCN)nc1 Amb32953848 [0,2,0,0,0,0|2,0,0]=4 9077 B12R1.71 COc1ccc(CCCO)cc1 Amb3939056 [0,2,0,0,0,0|0,0,0]=2 9078 B12R1.71 COc1ccc(CCCO)cn1 Amb33474576 [0,2,0,0,0,0|1,0,0]=3 9079 B12R1.71 COc1ccc(CCCO)nc1 Amb33204066 [0,2,0,0,0,0|1,0,0]=3 9080 B12R1.71 COc1ccc(CCCS)cc1 Amb17400951 [0,2,0,0,0,0|0,1,0]=3 9081 B12R1.71 COc1ccc(CCCS)cn1 Amb33314131 [0,2,0,0,0,0|1,1,0]=4 9082 B12R1.71 COc1ccc(CCCS)nc1 Amb33203700 [0,2,0,0,0,0|1,1,0]=4 9083 B12R1.71 COc1ccc(CCNN)cc1 Amb19889396 [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.71 COc1ccc(CCNN)cc1 Amb33548376 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.71 COc1ccc(CCNN)cc1 Amb6251431 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.71 COc1ccc(CCON)cc1 Amb17232637 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.71 COc1ccc(CC[Mg]Cl)cc1 Amb22000545 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.71 COc1ccc(CC[Zn]Br)cc1 Amb6300302 [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.71 COc1ccc(COCCl)cc1 Amb20242271 [0,2,0,0,0,0|2,0,0]=4 9090 B12R1.71 COc1ccc(NCCCl)cc1 Amb17335808 [0,2,0,0,0,0|2,0,0]=4 9091 B12R1.71 COc1ccc(NCCN)cc1 Amb10604015 [0,2,0,0,0,0|2,0,0]=4 9092 B12R1.71 COc1ccc(NCCO)cc1 Amb6714233 [0,2,0,0,0,0|1,0,0]=3 9093 B12R1.71 COc1ccc(NCCO)cn1 Amb33527972 [0,2,0,0,0,0|2,0,0]=4 9094 B12R1.71 COc1ccc(NCCS)cc1 Amb27268333 [0,2,0,0,0,0|1,1,0]=4 9095 B12R1.71 COc1ccc(OCCBr)cc1 Amb1151010 [0,2,0,0,0,0|2,0,0]=4 9096 B12R1.71 COc1ccc(OCCCl)cc1 Amb2446473 [0,2,0,0,0,0|2,0,0]=4 9097 B12R1.71 COc1ccc(OCCN)cc1 Amb1063468 [0,2,0,0,0,0|2,0,0]=4 9098 B12R1.71 COc1ccc(OCCN)cc1 Amb2689175 [0,2,0,0,0,0|2,0,0]=4 9099 B12R1.71 COc1ccc(OCCO)cc1 Amb2209351 [0,2,0,0,0,0|1,0,0]=3 9100 B12R1.71 COc1ccc(OCCS)cc1 Amb6255797 [0,2,0,0,0,0|1,1,0]=4 9101 B12R1.71 COc1ccc(OCC[NH3+])cc1 Amb2722864 [0,2,0,0,0,0|2,0,0]=4 9102 B12R1.71 COc1ccc(SCCN)cc1 Amb22051707 [0,2,0,0,0,0|2,0,0]=4 9103 B12R1.71 COc1ccc(SCCN)cc1 Amb998172 [0,2,0,0,0,0|2,0,0]=4 9104 B12R1.71 COc1ccc(SCCO)cc1 Amb2689270 [0,2,0,0,0,0|1,0,0]=3 9105 B12R1.71 COc1ccc(\C=C/CO)cc1 Amb27668023 [0,2,0,0,0,0|0,0,2]=4 9106 B12R1.71 COc1ccc(\C=C\CO)cc1 Amb837391 [0,2,0,0,0,0|0,0,2]=4 9107 B12R1.71 CSc1ccc(C#CCO)cc1 Amb25228424 [0,2,0,0,0,0|0,0,2]=4 9108 B12R1.71 CSc1ccc(CCC#N)cc1 Amb18862922 [0,2,0,0,0,0|1,0,1]=4 9109 B12R1.71 CSc1ccc(CCC=O)cc1 Amb24093033 [0,2,0,0,0,0|0,0,2]=4 9110 B12R1.71 CSc1ccc(CCCBr)cc1 Amb33451150 [0,2,0,0,0,0|1,0,0]=3 9111 B12R1.71 CSc1ccc(CCCN)cc1 Amb18055313 [0,2,0,0,0,0|1,0,0]=3 9112 B12R1.71 CSc1ccc(CCCO)cc1 Amb18863034 [0,2,0,0,0,0|0,0,0]=2 9113 B12R1.71 CSc1ccc(CCCS)cc1 Amb31132713 [0,2,0,0,0,0|0,1,0]=3 9114 B12R1.71 CSc1ccc(CCON)cc1 Amb33376342 [0,2,0,0,0,0|2,0,0]=4 9115 B12R1.71 CSc1ccc(NCCCl)cc1 Amb27800989 [0,2,0,0,0,0|2,0,0]=4 9116 B12R1.71 CSc1ccc(NCCF)cc1 Amb27949961 [0,2,0,0,0,0|2,0,0]=4 9117 B12R1.71 CSc1ccc(NCCN)cc1 Amb18243831 [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.71 CSc1ccc(OCCCl)cc1 Amb19148893 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.71 CSc1ccc(OCCN)cc1 Amb10243213 [0,2,0,0,0,0|2,0,0]=4 9120 B12R1.71 CSc1ccc(\C=C\CO)cc1 Amb33136408 [0,2,0,0,0,0|0,0,2]=4 9121 B12R1.71 FCCOc1ccc(CBr)cc1 Amb23580154 [0,2,0,0,0,0|2,0,0]=4 9122 B12R1.71 FCCOc1ccc(CCl)cc1 Amb31207832 [0,2,0,0,0,0|2,0,0]=4 9123 B12R1.71 N#CCCc1ccc(C#N)cc1 Amb18644805 [0,2,0,0,0,0|1,0,1]=4 9124 B12R1.71 N#CCCc1ccc(CO)cc1 Amb28455210 [0,2,0,0,0,0|1,0,1]=4 9125 B12R1.71 N#Cc1ccc(C#CCO)cc1 Amb836704 [0,2,0,0,0,0|0,0,2]=4 9126 B12R1.71 N#Cc1ccc(CCC=O)cc1 Amb24093122 [0,2,0,0,0,0|0,0,2]=4 9127 B12R1.71 N#Cc1ccc(CCCBr)cc1 Amb25851402 [0,2,0,0,0,0|1,0,0]=3 9128 B12R1.71 N#Cc1ccc(CCCCl)cc1 Amb27663895 [0,2,0,0,0,0|1,0,0]=3 9129 B12R1.71 N#Cc1ccc(CCCN)cc1 Amb25708502 [0,2,0,0,0,0|1,0,0]=3 9130 B12R1.71 N#Cc1ccc(CCCO)cc1 Amb13883607 [0,2,0,0,0,0|0,0,0]=2 9131 B12R1.71 N#Cc1ccc(CCCS)cc1 Amb33317543 [0,2,0,0,0,0|0,1,0]=3 9132 B12R1.71 N#Cc1ccc(CCON)cc1 Amb33318044 [0,2,0,0,0,0|2,0,0]=4 9133 B12R1.71 N#Cc1ccc(NCCCl)cc1 Amb17335462 [0,2,0,0,0,0|2,0,0]=4 9134 B12R1.71 N#Cc1ccc(NCCN)cc1 Amb6679323 [0,2,0,0,0,0|2,0,0]=4 9135 B12R1.71 N#Cc1ccc(NCCO)cc1 Amb33526948 [0,2,0,0,0,0|1,0,0]=3 9136 B12R1.71 N#Cc1ccc(NCCO)cn1 Amb26321389 [0,2,0,0,0,0|2,0,0]=4 9137 B12R1.71 N#Cc1ccc(OCCBr)cc1 Amb1107353 [0,2,0,0,0,0|2,0,0]=4 9138 B12R1.71 N#Cc1ccc(OCCI)cc1 Amb28206772 [0,2,0,0,0,0|2,0,0]=4 9139 B12R1.71 N#Cc1ccc(OCCN)cc1 Amb17562028 [0,2,0,0,0,0|2,0,0]=4 9140 B12R1.71 N#Cc1ccc(OCCN)cc1 Amb33548236 [0,2,0,0,0,0|2,0,0]=4 9141 B12R1.71 N#Cc1ccc(OCCO)cc1 Amb2761037 [0,2,0,0,0,0|1,0,0]=3 9142 B12R1.71 N#Cc1ccc(OCCO)nc1 Amb6681181 [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.71 N#Cc1ccc(OCCS)cc1 Amb27770045 [0,2,0,0,0,0|1,1,0]=4 9144 B12R1.71 N#Cc1ccc(SCCO)cc1 Amb9238657 [0,2,0,0,0,0|1,0,0]=3 9145 B12R1.71 N#Cc1ccc(SCCO)nc1 Amb9238967 [0,2,0,0,0,0|2,0,0]=4 9146 B12R1.71 N#Cc1ccc(\C=C\CO)cc1 Amb33136409 [0,2,0,0,0,0|0,0,2]=4 9147 B12R1.71 N=Nc1ccc(NCCO)cc1 Amb26954590 [0,2,0,0,0,0|1,0,0]=3 9148 B12R1.71 NCCCc1ccc(CO)cc1 Amb17477572 [0,2,0,0,0,0|1,0,0]=3 9149 B12R1.71 NCc1ccc(CCCO)cc1 Amb23441994 [0,2,0,0,0,0|0,0,0]=2 9150 B12R1.71 NCc1ccc(NCCF)cc1 Amb27635567 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.71 NCc1ccc(NCCO)cc1 Amb5786733 [0,2,0,0,0,0|1,0,0]=3 9152 B12R1.71 NCc1ccc(OCCBr)cc1 Amb24094298 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.71 NCc1ccc(OCCF)cc1 Amb23580153 [0,2,0,0,0,0|2,0,0]=4 9154 B12R1.71 NCc1ccc(OCCO)cc1 Amb13951489 [0,2,0,0,0,0|1,0,0]=3 9155 B12R1.71 NCc1ccc(OCCO)cc1 Amb6680930 [0,2,0,0,0,0|1,0,0]=3 9156 B12R1.71 NCc1ncc(CCCO)cn1 Amb33494192 [0,2,0,0,0,0|2,0,0]=4 9157 B12R1.71 NNc1ccc(OCCBr)cc1 Amb27874315 [0,2,0,0,0,0|2,0,0]=4 9158 B12R1.71 O=Cc1ccc(C#CCO)cc1 Amb836735 [0,2,0,0,0,0|0,0,2]=4 9159 B12R1.71 O=Cc1ccc(CCCO)cc1 Amb18646079 [0,2,0,0,0,0|0,0,0]=2 9160 B12R1.71 O=Cc1ccc(NCCO)cc1 Amb8394240 [0,2,0,0,0,0|1,0,0]=3 9161 B12R1.71 O=Cc1ccc(OCCBr)cc1 Amb842388 [0,2,0,0,0,0|2,0,0]=4 9162 B12R1.71 O=Cc1ccc(OCCCl)cc1 Amb857538 [0,2,0,0,0,0|2,0,0]=4 9163 B12R1.71 O=Cc1ccc(OCCF)cc1 Amb23579953 [0,2,0,0,0,0|2,0,0]=4 9164 B12R1.71 O=Cc1ccc(OCCO)cc1 Amb857537 [0,2,0,0,0,0|1,0,0]=3 9165 B12R1.71 O=Cc1ccc(OCCO)nc1 Amb32668016 [0,2,0,0,0,0|2,0,0]=4 9166 B12R1.71 O=Cc1ccc(\C=C\CO)cc1 Amb27974046 [0,2,0,0,0,0|0,0,2]=4 9167 B12R1.71 O=Nc1ccc(NCCO)cc1 Amb27482840 [0,2,0,0,0,0|1,0,0]=3 9168 B12R1.71 OCC#Cc1ccc(CO)cc1 Amb18792413 [0,2,0,0,0,0|0,0,2]=4 9169 B12R1.71 OCCOc1ccc(CO)cc1 Amb6705839 [0,2,0,0,0,0|1,0,0]=3 9170 B12R1.71 OC\C=C\c1ccc(CO)cc1 Amb28064189 [0,2,0,0,0,0|0,0,2]=4 9171 B12R1.71 OCc1ccc(OCCF)cc1 Amb23580002 [0,2,0,0,0,0|2,0,0]=4 9172 B12R1.71 [C-]#[N+]CCc1ccc(C#C)cc1 Amb32877501 [0,2,0,0,0,0|2,0,0]=4 9173 B12R1.71 [C-]#[N+]CCc1ccc(C#N)cc1 Amb33226943 [0,2,0,0,0,0|2,0,0]=4 9174 B12R1.71 [C-]#[N+]CCc1ccc(CC)cc1 Amb33313368 [0,2,0,0,0,0|2,0,0]=4 9175 B12R1.71 [C-]#[N+]CCc1ccc(OC)cc1 Amb2689212 [0,2,0,0,0,0|2,0,0]=4 9176 B12R1.71 [C-]#[N+]CCc1ccc(SC)cc1 Amb33376351 [0,2,0,0,0,0|2,0,0]=4 9177 B12R1.71 [C-]#[N+]c1ccc(CCCC)cc1 Amb3973095 [0,2,0,0,0,0|1,0,0]=3 9178 B12R1.385 BrCCCc1ccc(I)c(I)c1 Amb27813663 [0,2,0,0,0,0|1,0,0]=3 9179 B12R1.385 C#CCCc1ccc(Br)c(Br)c1 Amb33388107 [0,2,0,0,0,0|1,0,1]=4 9180 B12R1.385 C#CCCc1ccc(Br)c(C)c1 Amb33332718 [0,2,0,0,0,0|1,0,1]=4 9181 B12R1.385 C#CCCc1ccc(Br)c(Cl)c1 Amb33477307 [0,2,0,0,0,0|1,0,1]=4 9182 B12R1.385 C#CCCc1ccc(Br)c(F)c1 Amb33006189 [0,2,0,0,0,0|1,0,1]=4 9183 B12R1.385 C#CCCc1ccc(C)c(Br)c1 Amb33334529 [0,2,0,0,0,0|1,0,1]=4 9184 B12R1.385 C#CCCc1ccc(C)c(C)c1 Amb33271393 [0,2,0,0,0,0|1,0,1]=4 9185 B12R1.385 C#CCCc1ccc(C)c(F)c1 Amb33427736 [0,2,0,0,0,0|1,0,1]=4 9186 B12R1.385 C#CCCc1ccc(C)c(O)c1 Amb33427570 [0,2,0,0,0,0|1,0,1]=4 9187 B12R1.385 C#CCCc1ccc(Cl)c(Br)c1 Amb33335783 [0,2,0,0,0,0|1,0,1]=4 9188 B12R1.385 C#CCCc1ccc(Cl)c(Cl)c1 Amb18636113 [0,2,0,0,0,0|1,0,1]=4 9189 B12R1.385 C#CCCc1ccc(F)c(Br)c1 Amb33388200 [0,2,0,0,0,0|1,0,1]=4 9190 B12R1.385 C#CCCc1ccc(F)c(C)c1 Amb33316373 [0,2,0,0,0,0|1,0,1]=4 9191 B12R1.385 C#CCCc1ccc(F)c(Cl)c1 Amb33259633 [0,2,0,0,0,0|1,0,1]=4 9192 B12R1.385 C#CCCc1ccc(F)c(F)c1 Amb33375626 [0,2,0,0,0,0|1,0,1]=4 9193 B12R1.385 C#CCCc1ccc(O)c(Br)c1 Amb33388928 [0,2,0,0,0,0|1,0,1]=4 9194 B12R1.385 C#CCCc1ccc(O)c(Cl)c1 Amb33261269 [0,2,0,0,0,0|1,0,1]=4 9195 B12R1.385 C#CCCc1ccc(O)c(F)c1 Amb33420918 [0,2,0,0,0,0|1,0,1]=4 9196 B12R1.385 C#CCCc1ccc(O)c(O)c1 Amb33379230 [0,2,0,0,0,0|1,0,1]=4 9197 B12R1.385 C=CCCc1ccc(C)c(C)c1 Amb6299318 [0,2,0,0,0,0|1,0,1]=4 9198 B12R1.385 C=CCCc1ccc(Cl)c(C)c1 Amb33252951 [0,2,0,0,0,0|1,0,1]=4 9199 B12R1.385 C=CCCc1ccc(F)c(F)c1 Amb6299385 [0,2,0,0,0,0|1,0,1]=4 9200 B12R1.385 CC1=CN(CCCF)C=CC1=O Amb27980741 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.385 CCCCN1C=CC(=O)C(N)=C1 Amb27254543 [0,2,0,0,0,0|2,0,0]=4 9202 B12R1.385 CCCCc1cc(C)c(Br)cn1 Amb32655041 [0,2,0,0,0,0|2,0,0]=4 9203 B12R1.385 CCCCc1cc(C)c(N)cn1 Amb24390699 [0,2,0,0,0,0|2,0,0]=4 9204 B12R1.385 CCCCc1cc(N)c(C)cn1 Amb27450639 [0,2,0,0,0,0|2,0,0]=4 9205 B12R1.385 CCCCc1ccc(Br)c(Br)c1 Amb19944055 [0,2,0,0,0,0|1,0,0]=3 9206 B12R1.385 CCCCc1ccc(Br)c(N)c1 Amb28066068 [0,2,0,0,0,0|1,0,0]=3 9207 B12R1.385 CCCCc1ccc(C)c(Cl)n1 Amb27797446 [0,2,0,0,0,0|2,0,0]=4 9208 B12R1.385 CCCCc1ccc(C)c(N)c1 Amb24071080 [0,2,0,0,0,0|1,0,0]=3 9209 B12R1.385 CCCCc1ccc(Cl)c(Br)c1 Amb19944056 [0,2,0,0,0,0|1,0,0]=3 9210 B12R1.385 CCCCc1ccc(Cl)c(N)c1 Amb26490908 [0,2,0,0,0,0|1,0,0]=3 9211 B12R1.385 CCCCc1ccc(F)c(N)c1 Amb25892190 [0,2,0,0,0,0|1,0,0]=3 9212 B12R1.385 CCCCc1ccc(I)c(C)c1 Amb2726250 [0,2,0,0,0,0|1,0,0]=3 9213 B12R1.385 CCCCc1ccc(N)c(Br)c1 Amb19944049 [0,2,0,0,0,0|1,0,0]=3 9214 B12R1.385 CCCCc1ccc(N)c(C)c1 Amb2725556 [0,2,0,0,0,0|1,0,0]=3 9215 B12R1.385 CCCCc1ccc(N)c(C)n1 Amb27258549 [0,2,0,0,0,0|2,0,0]=4 9216 B12R1.385 CCCCc1ccc(N)c(Cl)c1 Amb27865500 [0,2,0,0,0,0|1,0,0]=3 9217 B12R1.385 CCCCc1ccc(N)c(I)c1 Amb26849329 [0,2,0,0,0,0|1,0,0]=3 9218 B12R1.385 CCCCc1ccc(N)c(N)c1 Amb18646137 [0,2,0,0,0,0|1,0,0]=3 9219 B12R1.385 CCCCc1ccc(N)c(S)c1 Amb18939301 [0,2,0,0,0,0|1,0,0]=3 9220 B12R1.385 CCCCc1ccc(O)c(C)c1 Amb24403254 [0,2,0,0,0,0|1,0,0]=3 9221 B12R1.385 CCCCc1ccc(O)c(Cl)c1 Amb26562777 [0,2,0,0,0,0|1,0,0]=3 9222 B12R1.385 CCCCc1ccc(O)c(O)c1 Amb22167996 [0,2,0,0,0,0|1,0,0]=3 9223 B12R1.385 CCCCc1cnc(F)c(F)c1 Amb35667051 [0,2,0,0,0,0|2,0,0]=4 9224 B12R1.385 CCCCc1cnc(N)c(F)c1 Amb35663800 [0,2,0,0,0,0|2,0,0]=4 9225 B12R1.385 CCCNc1ccc(Br)c(C)c1 Amb6691699 [0,2,0,0,0,0|2,0,0]=4 9226 B12R1.385 CCCNc1ccc(C)c(Br)c1 Amb17142401 [0,2,0,0,0,0|2,0,0]=4 9227 B12R1.385 CCCNc1ccc(C)c(C)c1 Amb33328942 [0,2,0,0,0,0|2,0,0]=4 9228 B12R1.385 CCCNc1ccc(C)c(C)c1 Amb4313504 [0,2,0,0,0,0|2,0,0]=4 9229 B12R1.385 CCCNc1ccc(C)c(Cl)c1 Amb33328911 [0,2,0,0,0,0|2,0,0]=4 9230 B12R1.385 CCCNc1ccc(C)c(Cl)c1 Amb6687850 [0,2,0,0,0,0|2,0,0]=4 9231 B12R1.385 CCCNc1ccc(C)c(O)c1 Amb28321168 [0,2,0,0,0,0|2,0,0]=4 9232 B12R1.385 CCCNc1ccc(Cl)c(C)c1 Amb27149944 [0,2,0,0,0,0|2,0,0]=4 9233 B12R1.385 CCCNc1ccc(Cl)c(C)c1 Amb33328912 [0,2,0,0,0,0|2,0,0]=4 9234 B12R1.385 CCCNc1ccc(Cl)c(Cl)c1 Amb30584829 [0,2,0,0,0,0|2,0,0]=4 9235 B12R1.385 CCCNc1ccc(Cl)c(Cl)c1 Amb4313514 [0,2,0,0,0,0|2,0,0]=4 9236 B12R1.385 CCCNc1ccc(Cl)c(O)c1 Amb27808716 [0,2,0,0,0,0|2,0,0]=4 9237 B12R1.385 CCCNc1ccc(F)c(Cl)c1 Amb7772586 [0,2,0,0,0,0|2,0,0]=4 9238 B12R1.385 CCCNc1ccc(F)c(F)c1 Amb6694998 [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.385 CCCNc1ccc(N)c(N)c1 Amb27179602 [0,2,0,0,0,0|2,0,0]=4 9240 B12R1.385 CCCNc1ccc(O)c(Cl)c1 Amb27863348 [0,2,0,0,0,0|2,0,0]=4 9241 B12R1.385 CCCNc1ccc(O)c(F)c1 Amb28047172 [0,2,0,0,0,0|2,0,0]=4 9242 B12R1.385 CCCOc1ccc(Br)c(C)c1 Amb22001434 [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.385 CCCOc1ccc(Br)c(Cl)c1 Amb27615440 [0,2,0,0,0,0|2,0,0]=4 9244 B12R1.385 CCCOc1ccc(Br)c(F)c1 Amb22490083 [0,2,0,0,0,0|2,0,0]=4 9245 B12R1.385 CCCOc1ccc(Br)c(N)c1 Amb23555865 [0,2,0,0,0,0|2,0,0]=4 9246 B12R1.385 CCCOc1ccc(C)c(Br)c1 Amb25890676 [0,2,0,0,0,0|2,0,0]=4 9247 B12R1.385 CCCOc1ccc(C)c(N)c1 Amb17138590 [0,2,0,0,0,0|2,0,0]=4 9248 B12R1.385 CCCOc1ccc(Cl)c(Br)c1 Amb27815619 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.385 CCCOc1ccc(Cl)c(C)c1 Amb27858142 [0,2,0,0,0,0|2,0,0]=4 9250 B12R1.385 CCCOc1ccc(Cl)c(N)c1 Amb17139123 [0,2,0,0,0,0|2,0,0]=4 9251 B12R1.385 CCCOc1ccc(F)c(Cl)c1 Amb27650105 [0,2,0,0,0,0|2,0,0]=4 9252 B12R1.385 CCCOc1ccc(F)c(F)c1 Amb25816178 [0,2,0,0,0,0|2,0,0]=4 9253 B12R1.385 CCCOc1ccc(F)c(O)c1 Amb28344053 [0,2,0,0,0,0|2,0,0]=4 9254 B12R1.385 CCCOc1ccc(I)c(C)c1 Amb27241094 [0,2,0,0,0,0|2,0,0]=4 9255 B12R1.385 CCCOc1ccc(N)c(Br)c1 Amb23556483 [0,2,0,0,0,0|2,0,0]=4 9256 B12R1.385 CCCOc1ccc(N)c(C)c1 Amb1134107 [0,2,0,0,0,0|2,0,0]=4 9257 B12R1.385 CCCOc1ccc(N)c(Cl)c1 Amb18986395 [0,2,0,0,0,0|2,0,0]=4 9258 B12R1.385 CCCOc1ccc(N)c(N)c1 Amb8393814 [0,2,0,0,0,0|2,0,0]=4 9259 B12R1.385 CCCOc1ccc(N)c(S)c1 Amb18939289 [0,2,0,0,0,0|2,0,0]=4 9260 B12R1.385 CCCOc1ccc(O)c(N)c1 Amb18056091 [0,2,0,0,0,0|2,0,0]=4 9261 B12R1.385 CCCOc1ccc(S)c(C)c1 Amb25861806 [0,2,0,0,0,0|2,0,0]=4 9262 B12R1.385 CCCOc1ccc(S)c(N)c1 Amb18939266 [0,2,0,0,0,0|2,0,0]=4 9263 B12R1.385 CCCSc1ccc(C)c(C)c1 Amb27833324 [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.385 CCCSc1ccc(N)c(N)c1 Amb18648679 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.385 CCCSc1ccc(O)c(O)c1 Amb27972958 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.385 CCNCc1ccc(Br)c(C)c1 Amb18277184 [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.385 CCNCc1ccc(Br)c(N)c1 Amb28249619 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.385 CCNCc1ccc(C)c(C)c1 Amb8841262 [0,2,0,0,0,0|2,0,0]=4 9269 B12R1.385 CCNCc1ccc(Cl)c(C)c1 Amb18939964 [0,2,0,0,0,0|2,0,0]=4 9270 B12R1.385 CCNCc1ccc(Cl)c(Cl)c1 Amb10609579 [0,2,0,0,0,0|2,0,0]=4 9271 B12R1.385 CCNCc1ccc(Cl)c(Cl)c1 Amb3941319 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.385 CCNCc1ccc(F)c(C)c1 Amb17400236 [0,2,0,0,0,0|2,0,0]=4 9273 B12R1.385 CCNCc1ccc(F)c(Cl)c1 Amb18992526 [0,2,0,0,0,0|2,0,0]=4 9274 B12R1.385 CCNCc1ccc(F)c(F)c1 Amb10609350 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.385 CCNCc1ccc(F)c(F)c1 Amb6257248 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.385 CCNCc1ccc(I)c(Cl)c1 Amb27401437 [0,2,0,0,0,0|2,0,0]=4 9277 B12R1.385 CCNCc1ccc(O)c(Br)c1 Amb17144308 [0,2,0,0,0,0|2,0,0]=4 9278 B12R1.385 CCNCc1ccc(O)c(C)c1 Amb28386327 [0,2,0,0,0,0|2,0,0]=4 9279 B12R1.385 CCNCc1ccc(O)c(O)c1 Amb30588575 [0,2,0,0,0,0|2,0,0]=4 9280 B12R1.385 CCNCc1ccc(O)c(O)c1 Amb6269267 [0,2,0,0,0,0|2,0,0]=4 9281 B12R1.385 CCSCc1ccc(Cl)c(Cl)c1 Amb24686686 [0,2,0,0,0,0|2,0,0]=4 9282 B12R1.385 CCSCc1ccc(F)c(F)c1 Amb26375379 [0,2,0,0,0,0|2,0,0]=4 9283 B12R1.385 CN1C=C(CCCN)C=CC1=O Amb18862670 [0,2,0,0,0,0|2,0,0]=4 9284 B12R1.385 CN1N=C(CCCO)C=CC1=O Amb27171466 [0,2,0,0,0,0|2,0,0]=4 9285 B12R1.385 CNCCc1ccc(Br)c(C)c1 Amb18942021 [0,2,0,0,0,0|2,0,0]=4 9286 B12R1.385 CNCCc1ccc(Br)c(Cl)c1 Amb27667551 [0,2,0,0,0,0|2,0,0]=4 9287 B12R1.385 CNCCc1ccc(Br)c(F)c1 Amb26845949 [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.385 CNCCc1ccc(Br)c(O)c1 Amb26883888 [0,2,0,0,0,0|2,0,0]=4 9289 B12R1.385 CNCCc1ccc(C)c(Br)c1 Amb26842222 [0,2,0,0,0,0|2,0,0]=4 9290 B12R1.385 CNCCc1ccc(C)c(C)c1 Amb17085511 [0,2,0,0,0,0|2,0,0]=4 9291 B12R1.385 CNCCc1ccc(C)c(Cl)c1 Amb25899189 [0,2,0,0,0,0|2,0,0]=4 9292 B12R1.385 CNCCc1ccc(C)c(F)c1 Amb25721680 [0,2,0,0,0,0|2,0,0]=4 9293 B12R1.385 CNCCc1ccc(C)c(O)c1 Amb27813176 [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.385 CNCCc1ccc(Cl)c(Br)c1 Amb26505015 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.385 CNCCc1ccc(Cl)c(C)c1 Amb18552721 [0,2,0,0,0,0|2,0,0]=4 9296 B12R1.385 CNCCc1ccc(Cl)c(Cl)c1 Amb17193869 [0,2,0,0,0,0|2,0,0]=4 9297 B12R1.385 CNCCc1ccc(Cl)c(F)c1 Amb26605287 [0,2,0,0,0,0|2,0,0]=4 9298 B12R1.385 CNCCc1ccc(Cl)c(O)c1 Amb27615371 [0,2,0,0,0,0|2,0,0]=4 9299 B12R1.385 CNCCc1ccc(F)c(Br)c1 Amb18299502 [0,2,0,0,0,0|2,0,0]=4 9300 B12R1.385 CNCCc1ccc(F)c(C)c1 Amb17400235 [0,2,0,0,0,0|2,0,0]=4 9301 B12R1.385 CNCCc1ccc(F)c(Cl)c1 Amb18893772 [0,2,0,0,0,0|2,0,0]=4 9302 B12R1.385 CNCCc1ccc(F)c(F)c1 Amb18301397 [0,2,0,0,0,0|2,0,0]=4 9303 B12R1.385 CNCCc1ccc(F)c(O)c1 Amb26514066 [0,2,0,0,0,0|2,0,0]=4 9304 B12R1.385 CNCCc1ccc(O)c(Br)c1 Amb33389525 [0,2,0,0,0,0|2,0,0]=4 9305 B12R1.385 CNCCc1ccc(O)c(Br)c1 Amb35789392 [0,2,0,0,0,0|2,0,0]=4 9306 B12R1.385 CNCCc1ccc(O)c(C)c1 Amb24385303 [0,2,0,0,0,0|2,0,0]=4 9307 B12R1.385 CNCCc1ccc(O)c(Cl)c1 Amb28060894 [0,2,0,0,0,0|2,0,0]=4 9308 B12R1.385 CNCCc1ccc(O)c(F)c1 Amb27831083 [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.385 CNCCc1ccc(O)c(O)c1 Amb10844789 [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.385 CNCCc1ccc(O)c(O)c1 Amb8391056 [0,2,0,0,0,0|2,0,0]=4 9311 B12R1.385 COCCc1ccc(Br)c(F)c1 Amb28071480 [0,2,0,0,0,0|2,0,0]=4 9312 B12R1.385 COCCc1ccc(N)c(Cl)c1 Amb27614619 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.385 COCCc1ccc(O)c(Br)c1 Amb25767182 [0,2,0,0,0,0|2,0,0]=4 9314 B12R1.385 COCCc1ccc(O)c(Cl)c1 Amb27433058 [0,2,0,0,0,0|2,0,0]=4 9315 B12R1.385 COCCc1ccc(O)c(O)c1 Amb27802586 [0,2,0,0,0,0|2,0,0]=4 9316 B12R1.385 Cc1cc(CCC#N)ccc1Br Amb17204519 [0,2,0,0,0,0|1,0,1]=4 9317 B12R1.385 Cc1cc(CCC#N)ccc1Cl Amb24353066 [0,2,0,0,0,0|1,0,1]=4 9318 B12R1.385 Cc1cc(CCC#N)ccc1F Amb18862582 [0,2,0,0,0,0|1,0,1]=4 9319 B12R1.385 Cc1cc(CCC#N)ccc1O Amb20621623 [0,2,0,0,0,0|1,0,1]=4 9320 B12R1.385 Cc1cc(CCC=O)ccc1Br Amb18070236 [0,2,0,0,0,0|0,0,2]=4 9321 B12R1.385 Cc1cc(CCC=O)ccc1Cl Amb28146066 [0,2,0,0,0,0|0,0,2]=4 9322 B12R1.385 Cc1cc(CCC=O)ccc1F Amb25682112 [0,2,0,0,0,0|0,0,2]=4 9323 B12R1.385 Cc1cc(CCC=O)ccc1I Amb24603486 [0,2,0,0,0,0|0,0,2]=4 9324 B12R1.385 Cc1cc(CCC=O)ccc1N Amb27616080 [0,2,0,0,0,0|0,0,2]=4 9325 B12R1.385 Cc1cc(CCCBr)ccc1Br Amb28286752 [0,2,0,0,0,0|1,0,0]=3 9326 B12R1.385 Cc1cc(CCCBr)ccc1Cl Amb26965876 [0,2,0,0,0,0|1,0,0]=3 9327 B12R1.385 Cc1cc(CCCBr)ccc1F Amb26340405 [0,2,0,0,0,0|1,0,0]=3 9328 B12R1.385 Cc1cc(CCCBr)ccc1I Amb28133816 [0,2,0,0,0,0|1,0,0]=3 9329 B12R1.385 Cc1cc(CCCBr)ccc1N Amb28323502 [0,2,0,0,0,0|1,0,0]=3 9330 B12R1.385 Cc1cc(CCCBr)ccc1S Amb26602406 [0,2,0,0,0,0|1,0,0]=3 9331 B12R1.385 Cc1cc(CCCBr)cnc1C Amb27417120 [0,2,0,0,0,0|2,0,0]=4 9332 B12R1.385 Cc1cc(CCCBr)cnc1Cl Amb33431787 [0,2,0,0,0,0|2,0,0]=4 9333 B12R1.385 Cc1cc(CCCCl)ccc1Cl Amb27445697 [0,2,0,0,0,0|1,0,0]=3 9334 B12R1.385 Cc1cc(CCCCl)ccc1F Amb25841123 [0,2,0,0,0,0|1,0,0]=3 9335 B12R1.385 Cc1cc(CCCCl)ccc1I Amb24605295 [0,2,0,0,0,0|1,0,0]=3 9336 B12R1.385 Cc1cc(CCCCl)ccc1N Amb27616078 [0,2,0,0,0,0|1,0,0]=3 9337 B12R1.385 Cc1cc(CCCCl)ccc1O Amb24637062 [0,2,0,0,0,0|1,0,0]=3 9338 B12R1.385 Cc1cc(CCCCl)ccc1S Amb25217669 [0,2,0,0,0,0|1,0,0]=3 9339 B12R1.385 Cc1cc(CCCCl)cnc1C Amb28429140 [0,2,0,0,0,0|2,0,0]=4 9340 B12R1.385 Cc1cc(CCCN)ccc1Br Amb17204539 [0,2,0,0,0,0|1,0,0]=3 9341 B12R1.385 Cc1cc(CCCN)ccc1Cl Amb18554358 [0,2,0,0,0,0|1,0,0]=3 9342 B12R1.385 Cc1cc(CCCN)ccc1F Amb17232643 [0,2,0,0,0,0|1,0,0]=3 9343 B12R1.385 Cc1cc(CCCN)ccc1O Amb26038396 [0,2,0,0,0,0|1,0,0]=3 9344 B12R1.385 Cc1cc(CCCN)cnc1Cl Amb24520597 [0,2,0,0,0,0|2,0,0]=4 9345 B12R1.385 Cc1cc(CCCN)ncc1Cl Amb27273404 [0,2,0,0,0,0|2,0,0]=4 9346 B12R1.385 Cc1cc(CCCO)ccc1Br Amb33332633 [0,2,0,0,0,0|0,0,0]=2 9347 B12R1.385 Cc1cc(CCCO)ccc1Cl Amb24465130 [0,2,0,0,0,0|0,0,0]=2 9348 B12R1.385 Cc1cc(CCCO)ccc1F Amb18862775 [0,2,0,0,0,0|0,0,0]=2 9349 B12R1.385 Cc1cc(CCCO)ccc1O Amb24624666 [0,2,0,0,0,0|0,0,0]=2 9350 B12R1.385 Cc1cc(CCCO)cnc1Cl Amb33058927 [0,2,0,0,0,0|1,0,0]=3 9351 B12R1.385 Cc1cc(CCCS)ccc1Br Amb33332709 [0,2,0,0,0,0|0,1,0]=3 9352 B12R1.385 Cc1cc(CCCS)ccc1F Amb27144406 [0,2,0,0,0,0|0,1,0]=3 9353 B12R1.385 Cc1cc(CCCS)cnc1Cl Amb33059257 [0,2,0,0,0,0|1,1,0]=4 9354 B12R1.385 Cc1cc(CCNN)ccc1Cl Amb33252901 [0,2,0,0,0,0|2,0,0]=4 9355 B12R1.385 Cc1cc(CCNN)ccc1F Amb17400254 [0,2,0,0,0,0|2,0,0]=4 9356 B12R1.385 Cc1cc(CCON)ccc1Br Amb33332379 [0,2,0,0,0,0|2,0,0]=4 9357 B12R1.385 Cc1cc(CCON)ccc1F Amb33316761 [0,2,0,0,0,0|2,0,0]=4 9358 B12R1.385 Cc1cc(NCCCl)ccc1Br Amb17351917 [0,2,0,0,0,0|2,0,0]=4 9359 B12R1.385 Cc1cc(NCCN)ccc1Br Amb17091077 [0,2,0,0,0,0|2,0,0]=4 9360 B12R1.385 Cc1cc(NCCN)ccc1O Amb27476632 [0,2,0,0,0,0|2,0,0]=4 9361 B12R1.385 Cc1cc(NCCO)ccc1Br Amb6709985 [0,2,0,0,0,0|1,0,0]=3 9362 B12R1.385 Cc1cc(NCCO)ccc1F Amb18301456 [0,2,0,0,0,0|1,0,0]=3 9363 B12R1.385 Cc1cc(NCCO)ncc1N Amb17213742 [0,2,0,0,0,0|2,0,0]=4 9364 B12R1.385 Cc1cc(OCCBr)ccc1Br Amb24749067 [0,2,0,0,0,0|2,0,0]=4 9365 B12R1.385 Cc1cc(OCCBr)ccc1Cl Amb6667877 [0,2,0,0,0,0|2,0,0]=4 9366 B12R1.385 Cc1cc(OCCCl)ccc1Cl Amb9209788 [0,2,0,0,0,0|2,0,0]=4 9367 B12R1.385 Cc1cc(OCCF)ccc1Br Amb25136415 [0,2,0,0,0,0|2,0,0]=4 9368 B12R1.385 Cc1cc(OCCF)ccc1N Amb23579996 [0,2,0,0,0,0|2,0,0]=4 9369 B12R1.385 Cc1cc(OCCN)ccc1Br Amb5781252 [0,2,0,0,0,0|2,0,0]=4 9370 B12R1.385 Cc1cc(OCCN)ccc1Cl Amb1090468 [0,2,0,0,0,0|2,0,0]=4 9371 B12R1.385 Cc1cc(OCCN)ccc1Cl Amb6761740 [0,2,0,0,0,0|2,0,0]=4 9372 B12R1.385 Cc1cc(OCCN)ccc1F Amb18893580 [0,2,0,0,0,0|2,0,0]=4 9373 B12R1.385 Cc1cc(OCCN)ccc1N Amb18908681 [0,2,0,0,0,0|2,0,0]=4 9374 B12R1.385 Cc1cc(OCCO)ccc1Cl Amb2209357 [0,2,0,0,0,0|1,0,0]=3 9375 B12R1.385 Cc1cc(OCCO)ccc1I Amb27255051 [0,2,0,0,0,0|1,0,0]=3 9376 B12R1.385 Cc1cc(OCCO)ccc1N Amb6702380 [0,2,0,0,0,0|1,0,0]=3 9377 B12R1.385 Cc1cc(OCCO)ncc1N Amb24668511 [0,2,0,0,0,0|2,0,0]=4 9378 B12R1.385 Cc1cc(OCCS)ccc1Cl Amb17237591 [0,2,0,0,0,0|1,1,0]=4 9379 B12R1.385 Cc1cc(SCCN)ccc1Cl Amb17083044 [0,2,0,0,0,0|2,0,0]=4 9380 B12R1.385 Cc1cc(SCCN)ccc1F Amb17083028 [0,2,0,0,0,0|2,0,0]=4 9381 B12R1.385 Cc1cc(SCCO)ccc1Br Amb28079082 [0,2,0,0,0,0|1,0,0]=3 9382 B12R1.385 Cc1cc(SCCO)ccc1N Amb33532252 [0,2,0,0,0,0|1,0,0]=3 9383 B12R1.385 Cc1cc(SCCO)ncc1Br Amb28043634 [0,2,0,0,0,0|2,0,0]=4 9384 B12R1.385 Cc1cc(SCCO)ncc1N Amb28457922 [0,2,0,0,0,0|2,0,0]=4 9385 B12R1.385 Cc1cc(\C=C\CO)ccc1Br Amb25133361 [0,2,0,0,0,0|0,0,2]=4 9386 B12R1.385 Cc1cc(\C=C\CO)ccc1F Amb33449467 [0,2,0,0,0,0|0,0,2]=4 9387 B12R1.385 Cc1ccc(CCC#N)cc1Br Amb17204516 [0,2,0,0,0,0|1,0,1]=4 9388 B12R1.385 Cc1ccc(CCC#N)cc1C Amb17204302 [0,2,0,0,0,0|1,0,1]=4 9389 B12R1.385 Cc1ccc(CCC#N)cc1Cl Amb17204325 [0,2,0,0,0,0|1,0,1]=4 9390 B12R1.385 Cc1ccc(CCC#N)cc1F Amb26349082 [0,2,0,0,0,0|1,0,1]=4 9391 B12R1.385 Cc1ccc(CCC#N)cc1N Amb25675571 [0,2,0,0,0,0|1,0,1]=4 9392 B12R1.385 Cc1ccc(CCC#N)cc1O Amb26003951 [0,2,0,0,0,0|1,0,1]=4 9393 B12R1.385 Cc1ccc(CCC=O)cc1Br Amb18069967 [0,2,0,0,0,0|0,0,2]=4 9394 B12R1.385 Cc1ccc(CCC=O)cc1C Amb18798124 [0,2,0,0,0,0|0,0,2]=4 9395 B12R1.385 Cc1ccc(CCC=O)cc1Cl Amb18564229 [0,2,0,0,0,0|0,0,2]=4 9396 B12R1.385 Cc1ccc(CCC=O)cc1F Amb24093026 [0,2,0,0,0,0|0,0,2]=4 9397 B12R1.385 Cc1ccc(CCC=O)cc1N Amb27962410 [0,2,0,0,0,0|0,0,2]=4 9398 B12R1.385 Cc1ccc(CCC=O)cc1O Amb26625979 [0,2,0,0,0,0|0,0,2]=4 9399 B12R1.385 Cc1ccc(CCCBr)cc1Br Amb24339560 [0,2,0,0,0,0|1,0,0]=3 9400 B12R1.385 Cc1ccc(CCCBr)cc1C Amb24488677 [0,2,0,0,0,0|1,0,0]=3 9401 B12R1.385 Cc1ccc(CCCBr)cc1Cl Amb25130714 [0,2,0,0,0,0|1,0,0]=3 9402 B12R1.385 Cc1ccc(CCCBr)cc1F Amb25870410 [0,2,0,0,0,0|1,0,0]=3 9403 B12R1.385 Cc1ccc(CCCBr)cc1I Amb25207303 [0,2,0,0,0,0|1,0,0]=3 9404 B12R1.385 Cc1ccc(CCCBr)cc1N Amb26419392 [0,2,0,0,0,0|1,0,0]=3 9405 B12R1.385 Cc1ccc(CCCBr)cc1O Amb27793911 [0,2,0,0,0,0|1,0,0]=3 9406 B12R1.385 Cc1ccc(CCCCl)cc1Br Amb26398510 [0,2,0,0,0,0|1,0,0]=3 9407 B12R1.385 Cc1ccc(CCCCl)cc1C Amb18325208 [0,2,0,0,0,0|1,0,0]=3 9408 B12R1.385 Cc1ccc(CCCCl)cc1Cl Amb24720204 [0,2,0,0,0,0|1,0,0]=3 9409 B12R1.385 Cc1ccc(CCCCl)cc1F Amb25152290 [0,2,0,0,0,0|1,0,0]=3 9410 B12R1.385 Cc1ccc(CCCCl)cc1I Amb27439344 [0,2,0,0,0,0|1,0,0]=3 9411 B12R1.385 Cc1ccc(CCCCl)cc1N Amb26424124 [0,2,0,0,0,0|1,0,0]=3 9412 B12R1.385 Cc1ccc(CCCCl)cc1O Amb26576220 [0,2,0,0,0,0|1,0,0]=3 9413 B12R1.385 Cc1ccc(CCCCl)cc1S Amb26004212 [0,2,0,0,0,0|1,0,0]=3 9414 B12R1.385 Cc1ccc(CCCN)cc1Br Amb17204536 [0,2,0,0,0,0|1,0,0]=3 9415 B12R1.385 Cc1ccc(CCCN)cc1C Amb8396299 [0,2,0,0,0,0|1,0,0]=3 9416 B12R1.385 Cc1ccc(CCCN)cc1Cl Amb17204338 [0,2,0,0,0,0|1,0,0]=3 9417 B12R1.385 Cc1ccc(CCCN)cc1F Amb22395115 [0,2,0,0,0,0|1,0,0]=3 9418 B12R1.385 Cc1ccc(CCCN)cc1O Amb25159897 [0,2,0,0,0,0|1,0,0]=3 9419 B12R1.385 Cc1ccc(CCCN)nc1C Amb28042309 [0,2,0,0,0,0|2,0,0]=4 9420 B12R1.385 Cc1ccc(CCCN)nc1F Amb28204162 [0,2,0,0,0,0|2,0,0]=4 9421 B12R1.385 Cc1ccc(CCCO)cc1Br Amb24664258 [0,2,0,0,0,0|0,0,0]=2 9422 B12R1.385 Cc1ccc(CCCO)cc1C Amb17605788 [0,2,0,0,0,0|0,0,0]=2 9423 B12R1.385 Cc1ccc(CCCO)cc1Cl Amb25899190 [0,2,0,0,0,0|0,0,0]=2 9424 B12R1.385 Cc1ccc(CCCO)cc1F Amb25265576 [0,2,0,0,0,0|0,0,0]=2 9425 B12R1.385 Cc1ccc(CCCO)cc1O Amb33427567 [0,2,0,0,0,0|0,0,0]=2 9426 B12R1.385 Cc1ccc(CCCS)cc1Br Amb33334567 [0,2,0,0,0,0|0,1,0]=3 9427 B12R1.385 Cc1ccc(CCCS)cc1C Amb25198296 [0,2,0,0,0,0|0,1,0]=3 9428 B12R1.385 Cc1ccc(CCCS)cc1F Amb33427334 [0,2,0,0,0,0|0,1,0]=3 9429 B12R1.385 Cc1ccc(CCCS)cc1O Amb33427535 [0,2,0,0,0,0|0,1,0]=3 9430 B12R1.385 Cc1ccc(CCNN)cc1C Amb17400166 [0,2,0,0,0,0|2,0,0]=4 9431 B12R1.385 Cc1ccc(CCNN)cc1F Amb26057751 [0,2,0,0,0,0|2,0,0]=4 9432 B12R1.385 Cc1ccc(CCON)cc1Br Amb33334536 [0,2,0,0,0,0|2,0,0]=4 9433 B12R1.385 Cc1ccc(CCON)cc1C Amb33270873 [0,2,0,0,0,0|2,0,0]=4 9434 B12R1.385 Cc1ccc(CCON)cc1F Amb33373780 [0,2,0,0,0,0|2,0,0]=4 9435 B12R1.385 Cc1ccc(CCON)cc1O Amb33372149 [0,2,0,0,0,0|2,0,0]=4 9436 B12R1.385 Cc1ccc(NCCCl)cc1Br Amb17351914 [0,2,0,0,0,0|2,0,0]=4 9437 B12R1.385 Cc1ccc(NCCCl)cc1C Amb17335663 [0,2,0,0,0,0|2,0,0]=4 9438 B12R1.385 Cc1ccc(NCCCl)cc1Cl Amb17338054 [0,2,0,0,0,0|2,0,0]=4 9439 B12R1.385 Cc1ccc(NCCN)cc1Br Amb17091063 [0,2,0,0,0,0|2,0,0]=4 9440 B12R1.385 Cc1ccc(NCCN)cc1C Amb17091052 [0,2,0,0,0,0|2,0,0]=4 9441 B12R1.385 Cc1ccc(NCCN)cc1Cl Amb17091060 [0,2,0,0,0,0|2,0,0]=4 9442 B12R1.385 Cc1ccc(NCCO)cc1Br Amb17307023 [0,2,0,0,0,0|1,0,0]=3 9443 B12R1.385 Cc1ccc(NCCO)cc1C Amb6711821 [0,2,0,0,0,0|1,0,0]=3 9444 B12R1.385 Cc1ccc(NCCO)cc1Cl Amb6707927 [0,2,0,0,0,0|1,0,0]=3 9445 B12R1.385 Cc1ccc(NCCO)cc1O Amb8393230 [0,2,0,0,0,0|1,0,0]=3 9446 B12R1.385 Cc1ccc(OCCBr)cc1Br Amb28199664 [0,2,0,0,0,0|2,0,0]=4 9447 B12R1.385 Cc1ccc(OCCBr)cc1C Amb840491 [0,2,0,0,0,0|2,0,0]=4 9448 B12R1.385 Cc1ccc(OCCCl)cc1C Amb8828432 [0,2,0,0,0,0|2,0,0]=4 9449 B12R1.385 Cc1ccc(OCCF)cc1C Amb27416791 [0,2,0,0,0,0|2,0,0]=4 9450 B12R1.385 Cc1ccc(OCCF)cc1N Amb25188189 [0,2,0,0,0,0|2,0,0]=4 9451 B12R1.385 Cc1ccc(OCCN)cc1Br Amb25896635 [0,2,0,0,0,0|2,0,0]=4 9452 B12R1.385 Cc1ccc(OCCN)cc1C Amb6355960 [0,2,0,0,0,0|2,0,0]=4 9453 B12R1.385 Cc1ccc(OCCN)cc1Cl Amb23441775 [0,2,0,0,0,0|2,0,0]=4 9454 B12R1.385 Cc1ccc(OCCN)cc1F Amb24341985 [0,2,0,0,0,0|2,0,0]=4 9455 B12R1.385 Cc1ccc(OCCN)cc1O Amb33427548 [0,2,0,0,0,0|2,0,0]=4 9456 B12R1.385 Cc1ccc(OCCO)cc1Br Amb24738236 [0,2,0,0,0,0|1,0,0]=3 9457 B12R1.385 Cc1ccc(OCCO)cc1C Amb9370667 [0,2,0,0,0,0|1,0,0]=3 9458 B12R1.385 Cc1ccc(OCCS)cc1C Amb2794985 [0,2,0,0,0,0|1,1,0]=4 9459 B12R1.385 Cc1ccc(SCCBr)cc1C Amb6278355 [0,2,0,0,0,0|2,0,0]=4 9460 B12R1.385 Cc1ccc(SCCN)cc1C Amb1105388 [0,2,0,0,0,0|2,0,0]=4 9461 B12R1.385 Cc1ccc(SCCN)cc1C Amb30711 [0,2,0,0,0,0|2,0,0]=4 9462 B12R1.385 Cc1ccc(SCCO)cc1Br Amb27481076 [0,2,0,0,0,0|1,0,0]=3 9463 B12R1.385 Cc1ccc(SCCO)cc1C Amb2687600 [0,2,0,0,0,0|1,0,0]=3 9464 B12R1.385 Cc1ccc(\C=C\CO)cc1Br Amb25331292 [0,2,0,0,0,0|0,0,2]=4 9465 B12R1.385 Cc1ccc(\C=C\CO)cc1C Amb27494401 [0,2,0,0,0,0|0,0,2]=4 9466 B12R1.385 Cc1ccc(\C=C\CO)cc1Cl Amb26877487 [0,2,0,0,0,0|0,0,2]=4 9467 B12R1.385 Cc1ccc(\C=C\CO)cc1F Amb28126070 [0,2,0,0,0,0|0,0,2]=4 9468 B12R1.385 Cc1ccc(\C=C\CO)cc1O Amb33310493 [0,2,0,0,0,0|0,0,2]=4 9469 B12R1.385 Cc1cnc(CCCN)cc1C Amb27600766 [0,2,0,0,0,0|2,0,0]=4 9470 B12R1.385 Cc1cnc(NCCO)cc1N Amb27389400 [0,2,0,0,0,0|2,0,0]=4 9471 B12R1.385 Cc1cnc(OCCO)cc1N Amb26022002 [0,2,0,0,0,0|2,0,0]=4 9472 B12R1.385 Cc1nc(NCCO)ccc1Br Amb26883715 [0,2,0,0,0,0|2,0,0]=4 9473 B12R1.385 Cc1nc(OCCO)ccc1N Amb25793927 [0,2,0,0,0,0|2,0,0]=4 9474 B12R1.385 Cc1ncc(CCCN)cc1F Amb27172215 [0,2,0,0,0,0|2,0,0]=4 9475 B12R1.385 ClCCCc1ccc(Br)c(Br)c1 Amb27782042 [0,2,0,0,0,0|1,0,0]=3 9476 B12R1.385 ClCCCc1ccc(Cl)c(Cl)c1 Amb17477749 [0,2,0,0,0,0|1,0,0]=3 9477 B12R1.385 ClCCCc1ccc(I)c(Br)c1 Amb26575206 [0,2,0,0,0,0|1,0,0]=3 9478 B12R1.385 ClCCNc1ccc(Cl)c(Cl)c1 Amb17343162 [0,2,0,0,0,0|2,0,0]=4 9479 B12R1.385 ClCCOc1ccc(Cl)c(Cl)c1 Amb17247124 [0,2,0,0,0,0|2,0,0]=4 9480 B12R1.385 ClCCSc1ccc(Cl)c(Cl)c1 Amb27414055 [0,2,0,0,0,0|2,0,0]=4 9481 B12R1.385 Clc1cc(CCCBr)ccc1Br Amb27192634 [0,2,0,0,0,0|1,0,0]=3 9482 B12R1.385 Clc1cc(CCCBr)cnc1Cl Amb33332036 [0,2,0,0,0,0|2,0,0]=4 9483 B12R1.385 Clc1ccc(CCCBr)cc1Cl Amb26461978 [0,2,0,0,0,0|1,0,0]=3 9484 B12R1.385 Clc1ccc(OCCBr)cc1Cl Amb17274514 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.385 Clc1ccc(SCCBr)cc1Cl Amb27476759 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.385 FCCNc1ccc(Br)c(I)c1 Amb28245116 [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.385 FCCNc1ccc(I)c(Br)c1 Amb28423188 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.385 FCCOc1ccc(Br)c(F)c1 Amb26875101 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.385 FCCOc1ccc(Cl)c(Cl)c1 Amb27775324 [0,2,0,0,0,0|2,0,0]=4 9490 B12R1.385 FCCOc1ccc(Cl)c(F)c1 Amb28366659 [0,2,0,0,0,0|2,0,0]=4 9491 B12R1.385 FCCSc1ccc(Cl)c(Cl)c1 Amb27980107 [0,2,0,0,0,0|2,0,0]=4 9492 B12R1.385 Fc1cc(CCCBr)ccc1Br Amb27967653 [0,2,0,0,0,0|1,0,0]=3 9493 B12R1.385 Fc1cc(CCCBr)ccc1Cl Amb25046816 [0,2,0,0,0,0|1,0,0]=3 9494 B12R1.385 Fc1cc(CCCBr)ccc1I Amb28134075 [0,2,0,0,0,0|1,0,0]=3 9495 B12R1.385 Fc1cc(CCCBr)ccc1S Amb27204221 [0,2,0,0,0,0|1,0,0]=3 9496 B12R1.385 Fc1cc(CCCCl)ccc1Br Amb25351929 [0,2,0,0,0,0|1,0,0]=3 9497 B12R1.385 Fc1cc(CCCCl)ccc1Cl Amb24468477 [0,2,0,0,0,0|1,0,0]=3 9498 B12R1.385 Fc1cc(CCCCl)ccc1S Amb27963895 [0,2,0,0,0,0|1,0,0]=3 9499 B12R1.385 Fc1cc(CCCS)ccc1Br Amb33006238 [0,2,0,0,0,0|0,1,0]=3 9500 B12R1.385 Fc1cc(OCCBr)ccc1Cl Amb25244280 [0,2,0,0,0,0|2,0,0]=4 9501 B12R1.385 Fc1cc(OCCS)ccc1Br Amb27203441 [0,2,0,0,0,0|1,1,0]=4 9502 B12R1.385 Fc1cc(OCCS)ccc1Cl Amb27413754 [0,2,0,0,0,0|1,1,0]=4 9503 B12R1.385 Fc1ccc(CCCBr)cc1Br Amb25699797 [0,2,0,0,0,0|1,0,0]=3 9504 B12R1.385 Fc1ccc(CCCBr)cc1Cl Amb24638891 [0,2,0,0,0,0|1,0,0]=3 9505 B12R1.385 Fc1ccc(CCCBr)cc1F Amb26061388 [0,2,0,0,0,0|1,0,0]=3 9506 B12R1.385 Fc1ccc(CCCCl)cc1Br Amb24389703 [0,2,0,0,0,0|1,0,0]=3 9507 B12R1.385 Fc1ccc(CCCCl)cc1Cl Amb27200303 [0,2,0,0,0,0|1,0,0]=3 9508 B12R1.385 Fc1ccc(CCCCl)cc1F Amb28341727 [0,2,0,0,0,0|1,0,0]=3 9509 B12R1.385 Fc1ccc(CCCS)cc1Br Amb33388230 [0,2,0,0,0,0|0,1,0]=3 9510 B12R1.385 Fc1ccc(CCCS)cc1Cl Amb28197743 [0,2,0,0,0,0|0,1,0]=3 9511 B12R1.385 Fc1ccc(CCCS)cc1F Amb26605763 [0,2,0,0,0,0|0,1,0]=3 9512 B12R1.385 Fc1ccc(NCCCl)cc1Cl Amb17338959 [0,2,0,0,0,0|2,0,0]=4 9513 B12R1.385 Fc1ccc(OCCBr)cc1Br Amb27251629 [0,2,0,0,0,0|2,0,0]=4 9514 B12R1.385 Fc1ccc(OCCBr)cc1Cl Amb28319432 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.385 Fc1ccc(OCCBr)cc1F Amb9417120 [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.385 Fc1ccc(OCCCl)cc1F Amb9417117 [0,2,0,0,0,0|2,0,0]=4 9517 B12R1.385 Fc1ccc(OCCS)cc1F Amb17234882 [0,2,0,0,0,0|1,1,0]=4 9518 B12R1.385 Fc1ccc(SCCBr)cc1F Amb8857941 [0,2,0,0,0,0|2,0,0]=4 9519 B12R1.385 Fc1ccc(SCCCl)cc1F Amb8995013 [0,2,0,0,0,0|2,0,0]=4 9520 B12R1.385 N#CCCc1ccc(Br)c(Br)c1 Amb26915376 [0,2,0,0,0,0|1,0,1]=4 9521 B12R1.385 N#CCCc1ccc(Br)c(Cl)c1 Amb24656440 [0,2,0,0,0,0|1,0,1]=4 9522 B12R1.385 N#CCCc1ccc(Br)c(F)c1 Amb27200599 [0,2,0,0,0,0|1,0,1]=4 9523 B12R1.385 N#CCCc1ccc(Br)c(O)c1 Amb27224321 [0,2,0,0,0,0|1,0,1]=4 9524 B12R1.385 N#CCCc1ccc(Br)c(S)c1 Amb27613914 [0,2,0,0,0,0|1,0,1]=4 9525 B12R1.385 N#CCCc1ccc(Cl)c(Br)c1 Amb27623416 [0,2,0,0,0,0|1,0,1]=4 9526 B12R1.385 N#CCCc1ccc(Cl)c(Cl)c1 Amb17204384 [0,2,0,0,0,0|1,0,1]=4 9527 B12R1.385 N#CCCc1ccc(Cl)c(F)c1 Amb27815410 [0,2,0,0,0,0|1,0,1]=4 9528 B12R1.385 N#CCCc1ccc(Cl)c(N)c1 Amb25848481 [0,2,0,0,0,0|1,0,1]=4 9529 B12R1.385 N#CCCc1ccc(F)c(Br)c1 Amb27190897 [0,2,0,0,0,0|1,0,1]=4 9530 B12R1.385 N#CCCc1ccc(F)c(Cl)c1 Amb17204333 [0,2,0,0,0,0|1,0,1]=4 9531 B12R1.385 N#CCCc1ccc(F)c(F)c1 Amb17204311 [0,2,0,0,0,0|1,0,1]=4 9532 B12R1.385 N#CCCc1ccc(F)c(N)c1 Amb24747181 [0,2,0,0,0,0|1,0,1]=4 9533 B12R1.385 N#CCCc1ccc(I)c(Br)c1 Amb27636530 [0,2,0,0,0,0|1,0,1]=4 9534 B12R1.385 N#CCCc1ccc(I)c(Cl)c1 Amb27200020 [0,2,0,0,0,0|1,0,1]=4 9535 B12R1.385 N#CCCc1ccc(N)c(Br)c1 Amb27200001 [0,2,0,0,0,0|1,0,1]=4 9536 B12R1.385 N#CCCc1ccc(N)c(Cl)c1 Amb27394086 [0,2,0,0,0,0|1,0,1]=4 9537 B12R1.385 N#CCCc1ccc(N)c(F)c1 Amb27849209 [0,2,0,0,0,0|1,0,1]=4 9538 B12R1.385 N#CCCc1ccc(N)c(I)c1 Amb27796645 [0,2,0,0,0,0|1,0,1]=4 9539 B12R1.385 N#CCCc1ccc(N)c(O)c1 Amb26845456 [0,2,0,0,0,0|1,0,1]=4 9540 B12R1.385 N#CCCc1ccc(N)c(S)c1 Amb27616055 [0,2,0,0,0,0|1,0,1]=4 9541 B12R1.385 N#CCCc1ccc(O)c(Br)c1 Amb27224320 [0,2,0,0,0,0|1,0,1]=4 9542 B12R1.385 N#CCCc1ccc(O)c(Cl)c1 Amb17509041 [0,2,0,0,0,0|1,0,1]=4 9543 B12R1.385 N#CCCc1ccc(O)c(F)c1 Amb24656436 [0,2,0,0,0,0|1,0,1]=4 9544 B12R1.385 N#CCCc1ccc(O)c(I)c1 Amb28247261 [0,2,0,0,0,0|1,0,1]=4 9545 B12R1.385 N#CCCc1ccc(O)c(O)c1 Amb25824607 [0,2,0,0,0,0|1,0,1]=4 9546 B12R1.385 N#CCCc1ccc(S)c(O)c1 Amb27423585 [0,2,0,0,0,0|1,0,1]=4 9547 B12R1.385 N#CCCc1ccc(S)c(S)c1 Amb27647039 [0,2,0,0,0,0|1,0,1]=4 9548 B12R1.385 NC1=CN(CCCF)C=CC1=O Amb26554658 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.385 NC1=CN(CCCO)C=CC1=O Amb25141259 [0,2,0,0,0,0|1,0,0]=3 9550 B12R1.385 NCCCc1cc(F)c(Cl)cn1 Amb28124863 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.385 NCCCc1cc(O)c(Cl)cn1 Amb27868571 [0,2,0,0,0,0|2,0,0]=4 9552 B12R1.385 NCCCc1ccc(Br)c(Cl)c1 Amb25127779 [0,2,0,0,0,0|1,0,0]=3 9553 B12R1.385 NCCCc1ccc(Br)c(F)c1 Amb27262094 [0,2,0,0,0,0|1,0,0]=3 9554 B12R1.385 NCCCc1ccc(Br)c(O)c1 Amb26874149 [0,2,0,0,0,0|1,0,0]=3 9555 B12R1.385 NCCCc1ccc(Cl)c(Br)c1 Amb25331909 [0,2,0,0,0,0|1,0,0]=3 9556 B12R1.385 NCCCc1ccc(Cl)c(Cl)c1 Amb9304912 [0,2,0,0,0,0|1,0,0]=3 9557 B12R1.385 NCCCc1ccc(Cl)c(F)c1 Amb18821280 [0,2,0,0,0,0|1,0,0]=3 9558 B12R1.385 NCCCc1ccc(Cl)c(N)c1 Amb17477697 [0,2,0,0,0,0|1,0,0]=3 9559 B12R1.385 NCCCc1ccc(Cl)c(O)c1 Amb28397613 [0,2,0,0,0,0|1,0,0]=3 9560 B12R1.385 NCCCc1ccc(Cl)c(O)n1 Amb27406024 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.385 NCCCc1ccc(F)c(Br)c1 Amb9304909 [0,2,0,0,0,0|1,0,0]=3 9562 B12R1.385 NCCCc1ccc(F)c(Cl)c1 Amb17204345 [0,2,0,0,0,0|1,0,0]=3 9563 B12R1.385 NCCCc1ccc(F)c(F)c1 Amb17204314 [0,2,0,0,0,0|1,0,0]=3 9564 B12R1.385 NCCCc1ccc(F)c(F)c1 Amb28988589 [0,2,0,0,0,0|1,0,0]=3 9565 B12R1.385 NCCCc1ccc(F)c(N)c1 Amb27958751 [0,2,0,0,0,0|1,0,0]=3 9566 B12R1.385 NCCCc1ccc(F)c(O)c1 Amb26639467 [0,2,0,0,0,0|1,0,0]=3 9567 B12R1.385 NCCCc1ccc(O)c(Br)c1 Amb24483621 [0,2,0,0,0,0|1,0,0]=3 9568 B12R1.385 NCCCc1ccc(O)c(Cl)c1 Amb17509068 [0,2,0,0,0,0|1,0,0]=3 9569 B12R1.385 NCCCc1ccc(O)c(F)c1 Amb25960744 [0,2,0,0,0,0|1,0,0]=3 9570 B12R1.385 NCCCc1ccc(O)c(N)c1 Amb17477692 [0,2,0,0,0,0|1,0,0]=3 9571 B12R1.385 NCCCc1ccc(O)c(O)c1 Amb18827195 [0,2,0,0,0,0|1,0,0]=3 9572 B12R1.385 NCCCc1ccc(O)c(O)c1 Amb34913303 [0,2,0,0,0,0|1,0,0]=3 9573 B12R1.385 NCCCc1cnc(Cl)c(Cl)c1 Amb33413601 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.385 NCCNc1ccc(Cl)c(Cl)c1 Amb17091080 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.385 NCCNc1ccc(Cl)c(O)c1 Amb28119003 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.385 NCCNc1ccc(F)c(Cl)c1 Amb17057760 [0,2,0,0,0,0|2,0,0]=4 9577 B12R1.385 NCCNc1ccc(F)c(F)c1 Amb17057762 [0,2,0,0,0,0|2,0,0]=4 9578 B12R1.385 NCCNc1ccc(O)c(O)c1 Amb28140786 [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.385 NCCOc1ccc(Br)c(Cl)c1 Amb27147463 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.385 NCCOc1ccc(Br)c(F)c1 Amb28064494 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.385 NCCOc1ccc(Cl)c(Br)c1 Amb25251177 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.385 NCCOc1ccc(Cl)c(Cl)c1 Amb21959595 [0,2,0,0,0,0|2,0,0]=4 9583 B12R1.385 NCCOc1ccc(Cl)c(Cl)c1 Amb5781221 [0,2,0,0,0,0|2,0,0]=4 9584 B12R1.385 NCCOc1ccc(Cl)c(F)c1 Amb25327059 [0,2,0,0,0,0|2,0,0]=4 9585 B12R1.385 NCCOc1ccc(Cl)c(F)c1 Amb28653082 [0,2,0,0,0,0|2,0,0]=4 9586 B12R1.385 NCCOc1ccc(F)c(Br)c1 Amb24385803 [0,2,0,0,0,0|2,0,0]=4 9587 B12R1.385 NCCOc1ccc(F)c(Cl)c1 Amb2198114 [0,2,0,0,0,0|2,0,0]=4 9588 B12R1.385 NCCOc1ccc(F)c(Cl)c1 Amb998025 [0,2,0,0,0,0|2,0,0]=4 9589 B12R1.385 NCCOc1ccc(F)c(F)c1 Amb19345444 [0,2,0,0,0,0|2,0,0]=4 9590 B12R1.385 NCCOc1ccc(F)c(F)c1 Amb9417099 [0,2,0,0,0,0|2,0,0]=4 9591 B12R1.385 NCCOc1ccc(O)c(Br)c1 Amb33389250 [0,2,0,0,0,0|2,0,0]=4 9592 B12R1.385 NCCOc1ccc(O)c(Cl)c1 Amb33261307 [0,2,0,0,0,0|2,0,0]=4 9593 B12R1.385 NCCOc1ccc(O)c(F)c1 Amb33420179 [0,2,0,0,0,0|2,0,0]=4 9594 B12R1.385 NCCOc1ccc(O)c(O)c1 Amb33379213 [0,2,0,0,0,0|2,0,0]=4 9595 B12R1.385 NCCSc1ccc(Cl)c(Cl)c1 Amb17083030 [0,2,0,0,0,0|2,0,0]=4 9596 B12R1.385 NCCSc1ccc(O)c(O)c1 Amb27232712 [0,2,0,0,0,0|2,0,0]=4 9597 B12R1.385 NNCCc1ccc(Cl)c(Cl)c1 Amb17402984 [0,2,0,0,0,0|2,0,0]=4 9598 B12R1.385 NNCCc1ccc(F)c(F)c1 Amb17400364 [0,2,0,0,0,0|2,0,0]=4 9599 B12R1.385 NOCCc1ccc(Br)c(Cl)c1 Amb33477280 [0,2,0,0,0,0|2,0,0]=4 9600 B12R1.385 NOCCc1ccc(Br)c(F)c1 Amb33005928 [0,2,0,0,0,0|2,0,0]=4 9601 B12R1.385 NOCCc1ccc(Cl)c(Br)c1 Amb33335746 [0,2,0,0,0,0|2,0,0]=4 9602 B12R1.385 NOCCc1ccc(Cl)c(Cl)c1 Amb24733703 [0,2,0,0,0,0|2,0,0]=4 9603 B12R1.385 NOCCc1ccc(F)c(Br)c1 Amb33387927 [0,2,0,0,0,0|2,0,0]=4 9604 B12R1.385 NOCCc1ccc(F)c(Cl)c1 Amb26883542 [0,2,0,0,0,0|2,0,0]=4 9605 B12R1.385 NOCCc1ccc(F)c(F)c1 Amb24497429 [0,2,0,0,0,0|2,0,0]=4 9606 B12R1.385 NOCCc1ccc(O)c(Br)c1 Amb33388565 [0,2,0,0,0,0|2,0,0]=4 9607 B12R1.385 NOCCc1ccc(O)c(Cl)c1 Amb33261375 [0,2,0,0,0,0|2,0,0]=4 9608 B12R1.385 NOCCc1ccc(O)c(F)c1 Amb33422778 [0,2,0,0,0,0|2,0,0]=4 9609 B12R1.385 NOCCc1ccc(O)c(O)c1 Amb33375731 [0,2,0,0,0,0|2,0,0]=4 9610 B12R1.385 Nc1cc(CCC=O)ccc1F Amb27209902 [0,2,0,0,0,0|0,0,2]=4 9611 B12R1.385 Nc1cc(CCC=O)ccc1S Amb27864232 [0,2,0,0,0,0|0,0,2]=4 9612 B12R1.385 Nc1cc(CCCBr)ccc1Cl Amb27633297 [0,2,0,0,0,0|1,0,0]=3 9613 B12R1.385 Nc1cc(CCCBr)ccc1F Amb27851683 [0,2,0,0,0,0|1,0,0]=3 9614 B12R1.385 Nc1cc(CCCCl)ccc1Br Amb25981221 [0,2,0,0,0,0|1,0,0]=3 9615 B12R1.385 Nc1cc(CCCCl)ccc1Cl Amb17477718 [0,2,0,0,0,0|1,0,0]=3 9616 B12R1.385 Nc1cc(CCCCl)ccc1O Amb17477706 [0,2,0,0,0,0|1,0,0]=3 9617 B12R1.385 Nc1cc(CCCO)ccc1Cl Amb17477707 [0,2,0,0,0,0|0,0,0]=2 9618 B12R1.385 Nc1cc(CCCO)ccc1O Amb17477699 [0,2,0,0,0,0|0,0,0]=2 9619 B12R1.385 Nc1cc(NCCO)ccc1O Amb28141979 [0,2,0,0,0,0|1,0,0]=3 9620 B12R1.385 Nc1cc(OCCF)ccc1Cl Amb25895101 [0,2,0,0,0,0|2,0,0]=4 9621 B12R1.385 Nc1cc(OCCF)ccc1F Amb32939666 [0,2,0,0,0,0|2,0,0]=4 9622 B12R1.385 Nc1cc(SCCF)ccc1Cl Amb27975849 [0,2,0,0,0,0|2,0,0]=4 9623 B12R1.385 Nc1ccc(C#CCO)cc1Cl Amb28251263 [0,2,0,0,0,0|0,0,2]=4 9624 B12R1.385 Nc1ccc(CCC=O)cc1Br Amb27847020 [0,2,0,0,0,0|0,0,2]=4 9625 B12R1.385 Nc1ccc(CCC=O)cc1F Amb27798934 [0,2,0,0,0,0|0,0,2]=4 9626 B12R1.385 Nc1ccc(CCC=O)cc1S Amb27792278 [0,2,0,0,0,0|0,0,2]=4 9627 B12R1.385 Nc1ccc(CCCBr)cc1Br Amb27633981 [0,2,0,0,0,0|1,0,0]=3 9628 B12R1.385 Nc1ccc(CCCBr)cc1O Amb27633292 [0,2,0,0,0,0|1,0,0]=3 9629 B12R1.385 Nc1ccc(CCCCl)cc1Br Amb26905865 [0,2,0,0,0,0|1,0,0]=3 9630 B12R1.385 Nc1ccc(CCCCl)cc1F Amb27614025 [0,2,0,0,0,0|1,0,0]=3 9631 B12R1.385 Nc1ccc(OCCF)cc1Cl Amb27169815 [0,2,0,0,0,0|2,0,0]=4 9632 B12R1.385 Nc1ccc(OCCF)cc1F Amb25338875 [0,2,0,0,0,0|2,0,0]=4 9633 B12R1.385 Nc1ccc(OCCF)cc1O Amb32939655 [0,2,0,0,0,0|2,0,0]=4 9634 B12R1.385 Nc1ccc(OCCO)cc1Cl Amb18295590 [0,2,0,0,0,0|1,0,0]=3 9635 B12R1.385 Nc1ccc(OCCO)cc1N Amb26639559 [0,2,0,0,0,0|1,0,0]=3 9636 B12R1.385 Nc1ccc(OCCO)nc1N Amb25378486 [0,2,0,0,0,0|2,0,0]=4 9637 B12R1.385 Nc1ccc(SCCF)cc1F Amb27263276 [0,2,0,0,0,0|2,0,0]=4 9638 B12R1.385 Nc1ccc(SCCO)nc1N Amb27472865 [0,2,0,0,0,0|2,0,0]=4 9639 B12R1.385 O=C1C=CC(SCCO)=CC1=O Amb27662383 [0,2,0,0,0,0|1,0,0]=3 9640 B12R1.385 O=C1C=CC(\C=C\CO)=CC1=O Amb24631190 [0,2,0,0,0,0|0,0,2]=4 9641 B12R1.385 O=CCCc1ccc(Br)c(Br)c1 Amb25301219 [0,2,0,0,0,0|0,0,2]=4 9642 B12R1.385 O=CCCc1ccc(Br)c(Cl)c1 Amb26567218 [0,2,0,0,0,0|0,0,2]=4 9643 B12R1.385 O=CCCc1ccc(Br)c(F)c1 Amb25733243 [0,2,0,0,0,0|0,0,2]=4 9644 B12R1.385 O=CCCc1ccc(Br)c(I)c1 Amb25301482 [0,2,0,0,0,0|0,0,2]=4 9645 B12R1.385 O=CCCc1ccc(Br)c(O)c1 Amb24341987 [0,2,0,0,0,0|0,0,2]=4 9646 B12R1.385 O=CCCc1ccc(Br)c(S)c1 Amb27638357 [0,2,0,0,0,0|0,0,2]=4 9647 B12R1.385 O=CCCc1ccc(Cl)c(Br)c1 Amb24382161 [0,2,0,0,0,0|0,0,2]=4 9648 B12R1.385 O=CCCc1ccc(Cl)c(Cl)c1 Amb24093018 [0,2,0,0,0,0|0,0,2]=4 9649 B12R1.385 O=CCCc1ccc(Cl)c(F)c1 Amb25836345 [0,2,0,0,0,0|0,0,2]=4 9650 B12R1.385 O=CCCc1ccc(Cl)c(I)c1 Amb25690980 [0,2,0,0,0,0|0,0,2]=4 9651 B12R1.385 O=CCCc1ccc(F)c(Br)c1 Amb24093021 [0,2,0,0,0,0|0,0,2]=4 9652 B12R1.385 O=CCCc1ccc(F)c(Cl)c1 Amb18564403 [0,2,0,0,0,0|0,0,2]=4 9653 B12R1.385 O=CCCc1ccc(F)c(F)c1 Amb18563918 [0,2,0,0,0,0|0,0,2]=4 9654 B12R1.385 O=CCCc1ccc(F)c(O)c1 Amb25360910 [0,2,0,0,0,0|0,0,2]=4 9655 B12R1.385 O=CCCc1ccc(F)c(S)c1 Amb27263901 [0,2,0,0,0,0|0,0,2]=4 9656 B12R1.385 O=CCCc1ccc(I)c(Br)c1 Amb27606295 [0,2,0,0,0,0|0,0,2]=4 9657 B12R1.385 O=CCCc1ccc(I)c(Cl)c1 Amb25268272 [0,2,0,0,0,0|0,0,2]=4 9658 B12R1.385 O=CCCc1ccc(I)c(F)c1 Amb26995809 [0,2,0,0,0,0|0,0,2]=4 9659 B12R1.385 O=CCCc1ccc(I)c(I)c1 Amb27208788 [0,2,0,0,0,0|0,0,2]=4 9660 B12R1.385 O=CCCc1ccc(I)c(O)c1 Amb26608948 [0,2,0,0,0,0|0,0,2]=4 9661 B12R1.385 O=CCCc1ccc(O)c(Br)c1 Amb27750842 [0,2,0,0,0,0|0,0,2]=4 9662 B12R1.385 O=CCCc1ccc(O)c(Cl)c1 Amb25150852 [0,2,0,0,0,0|0,0,2]=4 9663 B12R1.385 O=CCCc1ccc(O)c(F)c1 Amb26895467 [0,2,0,0,0,0|0,0,2]=4 9664 B12R1.385 O=CCCc1ccc(O)c(I)c1 Amb24758933 [0,2,0,0,0,0|0,0,2]=4 9665 B12R1.385 O=CCCc1ccc(O)c(O)c1 Amb26948669 [0,2,0,0,0,0|0,0,2]=4 9666 B12R1.385 OCC#Cc1ccc(Br)c(F)c1 Amb32654826 [0,2,0,0,0,0|0,0,2]=4 9667 B12R1.385 OCC#Cc1ccc(F)c(Br)c1 Amb32654833 [0,2,0,0,0,0|0,0,2]=4 9668 B12R1.385 OCC#Cc1ccc(F)c(F)c1 Amb9777275 [0,2,0,0,0,0|0,0,2]=4 9669 B12R1.385 OCCCc1ccc(Br)c(Cl)c1 Amb33477310 [0,2,0,0,0,0|0,0,0]=2 9670 B12R1.385 OCCCc1ccc(Br)c(F)c1 Amb32945422 [0,2,0,0,0,0|0,0,0]=2 9671 B12R1.385 OCCCc1ccc(Br)c(I)c1 Amb27667215 [0,2,0,0,0,0|0,0,0]=2 9672 B12R1.385 OCCCc1ccc(Cl)c(Br)c1 Amb23560508 [0,2,0,0,0,0|0,0,0]=2 9673 B12R1.385 OCCCc1ccc(Cl)c(Cl)c1 Amb17402982 [0,2,0,0,0,0|0,0,0]=2 9674 B12R1.385 OCCCc1ccc(Cl)c(F)c1 Amb25863120 [0,2,0,0,0,0|0,0,0]=2 9675 B12R1.385 OCCCc1ccc(F)c(Br)c1 Amb26373422 [0,2,0,0,0,0|0,0,0]=2 9676 B12R1.385 OCCCc1ccc(F)c(Cl)c1 Amb18863384 [0,2,0,0,0,0|0,0,0]=2 9677 B12R1.385 OCCCc1ccc(F)c(F)c1 Amb18224422 [0,2,0,0,0,0|0,0,0]=2 9678 B12R1.385 OCCCc1ccc(I)c(O)c1 Amb27870723 [0,2,0,0,0,0|0,0,0]=2 9679 B12R1.385 OCCCc1ccc(O)c(Br)c1 Amb26056201 [0,2,0,0,0,0|0,0,0]=2 9680 B12R1.385 OCCCc1ccc(O)c(Cl)c1 Amb26908242 [0,2,0,0,0,0|0,0,0]=2 9681 B12R1.385 OCCCc1ccc(O)c(F)c1 Amb24378042 [0,2,0,0,0,0|0,0,0]=2 9682 B12R1.385 OCCCc1ccc(O)c(I)c1 Amb26883621 [0,2,0,0,0,0|0,0,0]=2 9683 B12R1.385 OCCCc1ccc(O)c(O)c1 Amb25946318 [0,2,0,0,0,0|0,0,0]=2 9684 B12R1.385 OCCCc1cnc(Cl)c(Cl)c1 Amb33260353 [0,2,0,0,0,0|1,0,0]=3 9685 B12R1.385 OCCNc1ccc(Cl)c(Cl)c1 Amb6710964 [0,2,0,0,0,0|1,0,0]=3 9686 B12R1.385 OCCNc1ccc(F)c(Cl)c1 Amb17305858 [0,2,0,0,0,0|1,0,0]=3 9687 B12R1.385 OCCNc1ccc(F)c(F)c1 Amb6711633 [0,2,0,0,0,0|1,0,0]=3 9688 B12R1.385 OCCNc1ccc(O)c(Cl)c1 Amb27403676 [0,2,0,0,0,0|1,0,0]=3 9689 B12R1.385 OCCOc1ccc(Cl)c(Cl)c1 Amb17105031 [0,2,0,0,0,0|1,0,0]=3 9690 B12R1.385 OCCOc1ccc(F)c(Br)c1 Amb27148924 [0,2,0,0,0,0|1,0,0]=3 9691 B12R1.385 OCCOc1ccc(F)c(Cl)c1 Amb27837392 [0,2,0,0,0,0|1,0,0]=3 9692 B12R1.385 OCCOc1ccc(F)c(F)c1 Amb9394746 [0,2,0,0,0,0|1,0,0]=3 9693 B12R1.385 OCCSc1ccc(Cl)c(Cl)c1 Amb2686954 [0,2,0,0,0,0|1,0,0]=3 9694 B12R1.385 OC\C=C\c1ccc(Br)c(Br)c1 Amb28123256 [0,2,0,0,0,0|0,0,2]=4 9695 B12R1.385 OC\C=C\c1ccc(Br)c(Cl)c1 Amb28387654 [0,2,0,0,0,0|0,0,2]=4 9696 B12R1.385 OC\C=C\c1ccc(Br)c(F)c1 Amb33451817 [0,2,0,0,0,0|0,0,2]=4 9697 B12R1.385 OC\C=C\c1ccc(Cl)c(Br)c1 Amb33451242 [0,2,0,0,0,0|0,0,2]=4 9698 B12R1.385 OC\C=C\c1ccc(Cl)c(Cl)c1 Amb23442815 [0,2,0,0,0,0|0,0,2]=4 9699 B12R1.385 OC\C=C\c1ccc(Cl)c(F)c1 Amb33136402 [0,2,0,0,0,0|0,0,2]=4 9700 B12R1.385 OC\C=C\c1ccc(F)c(Br)c1 Amb27648497 [0,2,0,0,0,0|0,0,2]=4 9701 B12R1.385 OC\C=C\c1ccc(F)c(Cl)c1 Amb27865700 [0,2,0,0,0,0|0,0,2]=4 9702 B12R1.385 OC\C=C\c1ccc(F)c(F)c1 Amb23555608 [0,2,0,0,0,0|0,0,2]=4 9703 B12R1.385 OC\C=C\c1ccc(O)c(Br)c1 Amb33478361 [0,2,0,0,0,0|0,0,2]=4 9704 B12R1.385 OC\C=C\c1ccc(O)c(Cl)c1 Amb33406395 [0,2,0,0,0,0|0,0,2]=4 9705 B12R1.385 OC\C=C\c1ccc(O)c(F)c1 Amb33359297 [0,2,0,0,0,0|0,0,2]=4 9706 B12R1.385 OC\C=C\c1ccc(O)c(O)c1 Amb33136453 [0,2,0,0,0,0|0,0,2]=4 9707 B12R1.385 Oc1cc(CCCBr)ccc1Br Amb26571784 [0,2,0,0,0,0|1,0,0]=3 9708 B12R1.385 Oc1cc(CCCBr)ccc1Cl Amb27209898 [0,2,0,0,0,0|1,0,0]=3 9709 B12R1.385 Oc1cc(CCCBr)ccc1I Amb27474845 [0,2,0,0,0,0|1,0,0]=3 9710 B12R1.385 Oc1cc(CCCBr)ccc1S Amb27423586 [0,2,0,0,0,0|1,0,0]=3 9711 B12R1.385 Oc1cc(CCCCl)ccc1Br Amb27613861 [0,2,0,0,0,0|1,0,0]=3 9712 B12R1.385 Oc1cc(CCCCl)ccc1Cl Amb27789043 [0,2,0,0,0,0|1,0,0]=3 9713 B12R1.385 Oc1cc(CCCCl)ccc1S Amb27200002 [0,2,0,0,0,0|1,0,0]=3 9714 B12R1.385 Oc1ccc(CCCBr)cc1Br Amb28129980 [0,2,0,0,0,0|1,0,0]=3 9715 B12R1.385 Oc1ccc(CCCBr)cc1Cl Amb26007162 [0,2,0,0,0,0|1,0,0]=3 9716 B12R1.385 Oc1ccc(CCCBr)cc1F Amb26005430 [0,2,0,0,0,0|1,0,0]=3 9717 B12R1.385 Oc1ccc(CCCBr)cc1O Amb25323902 [0,2,0,0,0,0|1,0,0]=3 9718 B12R1.385 Oc1ccc(CCCCl)cc1Br Amb26006131 [0,2,0,0,0,0|1,0,0]=3 9719 B12R1.385 Oc1ccc(CCCCl)cc1F Amb28287543 [0,2,0,0,0,0|1,0,0]=3 9720 B12R1.385 Oc1ccc(CCCCl)cc1I Amb27787504 [0,2,0,0,0,0|1,0,0]=3 9721 B12R1.385 Oc1ccc(CCCCl)cc1S Amb27423588 [0,2,0,0,0,0|1,0,0]=3 9722 B12R1.385 Oc1ccc(CCCS)cc1Br Amb33387399 [0,2,0,0,0,0|0,1,0]=3 9723 B12R1.385 Oc1ccc(CCCS)cc1Cl Amb33261354 [0,2,0,0,0,0|0,1,0]=3 9724 B12R1.385 Oc1ccc(CCCS)cc1F Amb33420819 [0,2,0,0,0,0|0,1,0]=3 9725 B12R1.385 Oc1ccc(CCCS)cc1O Amb33378708 [0,2,0,0,0,0|0,1,0]=3 9726 B12R1.385 SCCCc1ccc(Br)c(Cl)c1 Amb33477556 [0,2,0,0,0,0|0,1,0]=3 9727 B12R1.385 SCCCc1ccc(Cl)c(Br)c1 Amb33335786 [0,2,0,0,0,0|0,1,0]=3 9728 B12R1.385 SCCCc1ccc(Cl)c(Cl)c1 Amb26969986 [0,2,0,0,0,0|0,1,0]=3 9729 B12R1.385 SCCCc1cnc(Cl)c(Cl)c1 Amb33260721 [0,2,0,0,0,0|1,1,0]=4 9730 B12R1.385 SCCOc1ccc(Br)c(Cl)c1 Amb28121346 [0,2,0,0,0,0|1,1,0]=4 9731 B12R1.385 SCCOc1ccc(Cl)c(Cl)c1 Amb17245968 [0,2,0,0,0,0|1,1,0]=4 9732 B12R1.385 Sc1cc(CCCBr)ccc1Br Amb27246864 [0,2,0,0,0,0|1,0,0]=3 9733 B12R1.385 Sc1cc(CCCBr)ccc1Cl Amb27967964 [0,2,0,0,0,0|1,0,0]=3 9734 B12R1.385 Sc1cc(CCCBr)ccc1I Amb27423733 [0,2,0,0,0,0|1,0,0]=3 9735 B12R1.385 Sc1cc(CCCCl)ccc1Br Amb27438310 [0,2,0,0,0,0|1,0,0]=3 9736 B12R1.385 Sc1ccc(CCCBr)cc1Br Amb26442395 [0,2,0,0,0,0|1,0,0]=3 9737 B12R1.385 Sc1ccc(CCCBr)cc1I Amb27795079 [0,2,0,0,0,0|1,0,0]=3 9738 B12R1.385 Sc1ccc(CCCCl)cc1Br Amb27211266 [0,2,0,0,0,0|1,0,0]=3 9739 B12R1.385 [C-]#[N+]CCc1ccc(Br)c(Br)c1 Amb33387455 [0,2,0,0,0,0|2,0,0]=4 9740 B12R1.385 [C-]#[N+]CCc1ccc(Br)c(C)c1 Amb33332350 [0,2,0,0,0,0|2,0,0]=4 9741 B12R1.385 [C-]#[N+]CCc1ccc(Br)c(Cl)c1 Amb33476946 [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.385 [C-]#[N+]CCc1ccc(Br)c(F)c1 Amb33005904 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.385 [C-]#[N+]CCc1ccc(C)c(Br)c1 Amb33334207 [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.385 [C-]#[N+]CCc1ccc(C)c(C)c1 Amb33270878 [0,2,0,0,0,0|2,0,0]=4 9745 B12R1.385 [C-]#[N+]CCc1ccc(C)c(F)c1 Amb33373787 [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.385 [C-]#[N+]CCc1ccc(Cl)c(Br)c1 Amb33335383 [0,2,0,0,0,0|2,0,0]=4 9747 B12R1.385 [C-]#[N+]CCc1ccc(Cl)c(Cl)c1 Amb33220493 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.385 [C-]#[N+]CCc1ccc(F)c(Br)c1 Amb33387917 [0,2,0,0,0,0|2,0,0]=4 9749 B12R1.385 [C-]#[N+]CCc1ccc(F)c(C)c1 Amb33317075 [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.385 [C-]#[N+]CCc1ccc(F)c(Cl)c1 Amb33260425 [0,2,0,0,0,0|2,0,0]=4 9751 B12R1.385 [C-]#[N+]CCc1ccc(F)c(F)c1 Amb33375850 [0,2,0,0,0,0|2,0,0]=4 9752 B12R1.2259 CCCCC1(C)C=CC(=O)C=C1 Amb28381248 [0,2,0,0,0,0|1,0,1]=4 9753 B12R1.3 C#CCC(CO)c1ccccc1 Amb27662159 [0,2,0,0,0,0|1,0,1]=4 9754 B12R1.3 C#CCC(NC)c1ccccc1 Amb18800161 [0,2,0,0,0,0|1,0,1]=4 9755 B12R1.3 C#CCC(NC)c1ccccc1 Amb19514703 [0,2,0,0,0,0|1,0,1]=4 9756 B12R1.3 C#CCC(NN)c1ccccc1 Amb27587660 [0,2,0,0,0,0|1,0,1]=4 9757 B12R1.3 C#C\C(=C\CO)c1ccccc1 Amb27829961 [0,2,0,0,0,0|0,0,2]=4 9758 B12R1.3 C=CCC(C#N)c1ccccc1 Amb17593937 [0,2,0,0,0,0|1,0,1]=4 9759 B12R1.3 C=CCC(C=O)c1ccccc1 Amb18645372 [0,2,0,0,0,0|1,0,1]=4 9760 B12R1.3 C=CCC(CBr)c1ccccc1 Amb32688906 [0,2,0,0,0,0|1,0,1]=4 9761 B12R1.3 C=CCC(CCl)c1ccccc1 Amb32688904 [0,2,0,0,0,0|1,0,1]=4 9762 B12R1.3 C=CCC(CN)c1ccccc1 Amb18126304 [0,2,0,0,0,0|1,0,1]=4 9763 B12R1.3 C=CCC(CO)c1ccccc1 Amb32665506 [0,2,0,0,0,0|1,0,1]=4 9764 B12R1.3 CCC(CCN)c1ccccc1 Amb5739026 [0,2,0,0,0,0|1,0,0]=3 9765 B12R1.3 CCC(CCO)c1ccccc1 Amb17232488 [0,2,0,0,0,0|0,0,0]=2 9766 B12R1.3 CCC(CNC)c1ccccc1 Amb8841502 [0,2,0,0,0,0|2,0,0]=4 9767 B12R1.3 CCCC(C#N)c1ccccc1 Amb2720802 [0,2,0,0,0,0|1,0,0]=3 9768 B12R1.3 CCCC(C#N)c1ccccn1 Amb18645394 [0,2,0,0,0,0|2,0,0]=4 9769 B12R1.3 CCCC(C=O)c1ccccc1 Amb17594046 [0,2,0,0,0,0|1,0,0]=3 9770 B12R1.3 CCCC(CBr)c1ccccc1 Amb17247626 [0,2,0,0,0,0|1,0,0]=3 9771 B12R1.3 CCCC(CC)c1ccccc1 Amb9787575 [0,2,0,0,0,0|1,0,0]=3 9772 B12R1.3 CCCC(CCl)c1ccccc1 Amb17233968 [0,2,0,0,0,0|1,0,0]=3 9773 B12R1.3 CCCC(CN)c1ccccc1 Amb8950183 [0,2,0,0,0,0|1,0,0]=3 9774 B12R1.3 CCCC(CO)c1ccccc1 Amb17232487 [0,2,0,0,0,0|1,0,0]=3 9775 B12R1.3 CCCC(NC)c1ccccn1 Amb18792590 [0,2,0,0,0,0|2,0,0]=4 9776 B12R1.3 CCCC(NC)c1cccnc1 Amb18792591 [0,2,0,0,0,0|2,0,0]=4 9777 B12R1.3 CCCN(C#N)c1ccccc1 Amb27434318 [0,2,0,0,0,0|2,0,0]=4 9778 B12R1.3 CCC\C(=N\N)c1ccccc1 Amb27649935 [0,2,0,0,0,0|1,0,1]=4 9779 B12R1.3 CCC\C(=N\O)c1ccccc1 Amb27979178 [0,2,0,0,0,0|1,0,1]=4 9780 B12R1.3 CCN(CCCl)c1ccccc1 Amb8392941 [0,2,0,0,0,0|2,0,0]=4 9781 B12R1.3 CCN(CCN)c1ccccc1 Amb1136918 [0,2,0,0,0,0|2,0,0]=4 9782 B12R1.3 CCN(CCN)c1ccccc1 Amb33266057 [0,2,0,0,0,0|2,0,0]=4 9783 B12R1.3 CCN(CCO)c1ccccc1 Amb1208392 [0,2,0,0,0,0|1,0,0]=3 9784 B12R1.3 CCN(CCO)c1ccncc1 Amb18792801 [0,2,0,0,0,0|2,0,0]=4 9785 B12R1.3 CCN(CCS)c1ccccc1 Amb13881733 [0,2,0,0,0,0|1,1,0]=4 9786 B12R1.3 CCNC(C#N)c1ccccc1 Amb22736556 [0,2,0,0,0,0|2,0,0]=4 9787 B12R1.3 CCNC(C#N)c1ccccc1 Amb7761469 [0,2,0,0,0,0|2,0,0]=4 9788 B12R1.3 CCNC(CC)c1ccccc1 Amb9721097 [0,2,0,0,0,0|2,0,0]=4 9789 B12R1.3 CCNC(CO)c1ccccc1 Amb6739961 [0,2,0,0,0,0|2,0,0]=4 9790 B12R1.3 CCN[C@@H](CO)c1ccccc1 Amb22745949 [0,2,0,0,0,0|2,0,0]=4 9791 B12R1.3 CCOC(C#N)c1ccccc1 Amb27828457 [0,2,0,0,0,0|2,0,0]=4 9792 B12R1.3 CCOC(CBr)c1ccccc1 Amb33348513 [0,2,0,0,0,0|2,0,0]=4 9793 B12R1.3 CCOC(CI)c1ccccc1 Amb33349128 [0,2,0,0,0,0|2,0,0]=4 9794 B12R1.3 CCOC(CN)c1ccccc1 Amb17605997 [0,2,0,0,0,0|2,0,0]=4 9795 B12R1.3 CCOC(CN)c1ccccc1 Amb33447126 [0,2,0,0,0,0|2,0,0]=4 9796 B12R1.3 CNC(CC#N)c1ccccc1 Amb18997456 [0,2,0,0,0,0|1,0,1]=4 9797 B12R1.3 CNC(CCO)c1ccccc1 Amb18563697 [0,2,0,0,0,0|0,0,0]=2 9798 B12R1.3 CNCC(OC)c1ccccc1 Amb17605856 [0,2,0,0,0,0|2,0,0]=4 9799 B12R1.3 COC(CCN)c1ccccc1 Amb17334641 [0,2,0,0,0,0|1,0,0]=3 9800 B12R1.3 COCC(CBr)c1ccccc1 Amb32688366 [0,2,0,0,0,0|2,0,0]=4 9801 B12R1.3 COCC(CCl)c1ccccc1 Amb32688364 [0,2,0,0,0,0|2,0,0]=4 9802 B12R1.3 CSC(CC#N)c1ccccc1 Amb18804687 [0,2,0,0,0,0|1,0,1]=4 9803 B12R1.3 CSCC(C#N)c1ccccc1 Amb27828366 [0,2,0,0,0,0|2,0,0]=4 9804 B12R1.3 N#CC(CCO)c1ccccc1 Amb17334526 [0,2,0,0,0,0|0,0,0]=2 9805 B12R1.3 N#CC(CCO)c1ccccn1 Amb17334562 [0,2,0,0,0,0|1,0,0]=3 9806 B12R1.3 N#CC(CCO)c1cccnc1 Amb17334563 [0,2,0,0,0,0|1,0,0]=3 9807 B12R1.3 N#CC(CCO)c1ccncc1 Amb17334564 [0,2,0,0,0,0|1,0,0]=3 9808 B12R1.3 N#CC(NCO)c1ccccc1 Amb28125883 [0,2,0,0,0,0|1,0,0]=3 9809 B12R1.3 N#CCC(C#N)c1ccccc1 Amb6335802 [0,2,0,0,0,0|1,0,1]=4 9810 B12R1.3 N#CCC(CO)c1ccccc1 Amb27172827 [0,2,0,0,0,0|1,0,1]=4 9811 B12R1.3 N#C\C(=C\CO)c1ccccc1 Amb27197973 [0,2,0,0,0,0|0,0,2]=4 9812 B12R1.3 NCC(CCO)c1ccccc1 Amb5494015 [0,2,0,0,0,0|0,0,0]=2 9813 B12R1.3 NCC(CCO)c1cccnc1 Amb17232607 [0,2,0,0,0,0|1,0,0]=3 9814 B12R1.3 NCC(CCO)c1ccncc1 Amb35789216 [0,2,0,0,0,0|1,0,0]=3 9815 B12R1.3 NCC(CCO)c1ccncc1 Amb35789737 [0,2,0,0,0,0|1,0,0]=3 9816 B12R1.3 NCCC(CN)c1ccccc1 Amb1111605 [0,2,0,0,0,0|1,0,0]=3 9817 B12R1.3 NCCC(CN)c1cccnc1 Amb17232561 [0,2,0,0,0,0|2,0,0]=4 9818 B12R1.17 C#CCC(N)c1cccc(I)c1 Amb27480387 [0,2,0,0,0,0|1,0,1]=4 9819 B12R1.17 C#CCC(O)c1cccc(O)c1 Amb18117926 [0,2,0,0,0,0|1,0,1]=4 9820 B12R1.17 C#CC[C@@H](O)c1cccc(O)c1 Amb28126629 [0,2,0,0,0,0|1,0,1]=4 9821 B12R1.17 C=C(CCN)c1cccc(Br)c1 Amb33451466 [0,2,0,0,0,0|1,0,1]=4 9822 B12R1.17 C=C(CCN)c1cccc(C)c1 Amb33380570 [0,2,0,0,0,0|1,0,1]=4 9823 B12R1.17 C=C(CCN)c1cccc(Cl)c1 Amb33223582 [0,2,0,0,0,0|1,0,1]=4 9824 B12R1.17 C=C(CCN)c1cccc(F)c1 Amb33203777 [0,2,0,0,0,0|1,0,1]=4 9825 B12R1.17 C=C(CCN)c1cccc(O)c1 Amb33310864 [0,2,0,0,0,0|1,0,1]=4 9826 B12R1.17 C=CCC(N)c1cccc(C)c1 Amb18977591 [0,2,0,0,0,0|1,0,1]=4 9827 B12R1.17 C=CCC(N)c1cccc(Cl)c1 Amb18292091 [0,2,0,0,0,0|1,0,1]=4 9828 B12R1.17 C=CCC(N)c1cccc(Cl)c1 Amb33623157 [0,2,0,0,0,0|1,0,1]=4 9829 B12R1.17 C=CCC(O)c1cccc(Br)c1 Amb2685396 [0,2,0,0,0,0|1,0,1]=4 9830 B12R1.17 C=CCC(O)c1cccc(C)c1 Amb18177788 [0,2,0,0,0,0|1,0,1]=4 9831 B12R1.17 C=CCC(O)c1cccc(Cl)c1 Amb2686331 [0,2,0,0,0,0|1,0,1]=4 9832 B12R1.17 C=CCC(O)c1cccc(F)c1 Amb18177817 [0,2,0,0,0,0|1,0,1]=4 9833 B12R1.17 C=CCC(O)c1cccc(I)c1 Amb27878433 [0,2,0,0,0,0|1,0,1]=4 9834 B12R1.17 C=CC[C@@H](N)c1cccc(F)c1 Amb27595583 [0,2,0,0,0,0|1,0,1]=4 9835 B12R1.17 C=CC[C@@H](N)c1cccc(O)c1 Amb27810779 [0,2,0,0,0,0|1,0,1]=4 9836 B12R1.17 C=CC[C@@H](O)c1cccc(C)c1 Amb27244794 [0,2,0,0,0,0|1,0,1]=4 9837 B12R1.17 C=CC[C@@H](O)c1cccc(Cl)c1 Amb27954584 [0,2,0,0,0,0|1,0,1]=4 9838 B12R1.17 C=CC[C@H](N)c1cccc(Br)c1 Amb25221639 [0,2,0,0,0,0|1,0,1]=4 9839 B12R1.17 C=CC[C@H](N)c1cccc(F)c1 Amb27170776 [0,2,0,0,0,0|1,0,1]=4 9840 B12R1.17 C=CC[C@H](N)c1cccc(N)c1 Amb27425199 [0,2,0,0,0,0|1,0,1]=4 9841 B12R1.17 C=CC[C@H](N)c1cccc(S)c1 Amb28146702 [0,2,0,0,0,0|1,0,1]=4 9842 B12R1.17 C=CC[C@H](O)c1cccc(Br)c1 Amb28399563 [0,2,0,0,0,0|1,0,1]=4 9843 B12R1.17 CC(CC#N)c1cccc(Br)c1 Amb24645330 [0,2,0,0,0,0|1,0,1]=4 9844 B12R1.17 CC(CC#N)c1cccc(Cl)c1 Amb26040011 [0,2,0,0,0,0|1,0,1]=4 9845 B12R1.17 CC(CC#N)c1cccc(F)c1 Amb24732112 [0,2,0,0,0,0|1,0,1]=4 9846 B12R1.17 CC(CCN)c1cc(F)ccn1 Amb33415294 [0,2,0,0,0,0|2,0,0]=4 9847 B12R1.17 CC(CCN)c1cccc(Br)c1 Amb30021557 [0,2,0,0,0,0|1,0,0]=3 9848 B12R1.17 CC(CCN)c1cccc(Br)n1 Amb33432800 [0,2,0,0,0,0|2,0,0]=4 9849 B12R1.17 CC(CCN)c1cccc(Cl)c1 Amb17234051 [0,2,0,0,0,0|1,0,0]=3 9850 B12R1.17 CC(CCN)c1cccc(Cl)n1 Amb33223267 [0,2,0,0,0,0|2,0,0]=4 9851 B12R1.17 CC(CCN)c1cccc(F)c1 Amb17232650 [0,2,0,0,0,0|1,0,0]=3 9852 B12R1.17 CC(CCN)c1cccc(O)c1 Amb33311223 [0,2,0,0,0,0|1,0,0]=3 9853 B12R1.17 CC(CCN)c1cncc(Br)c1 Amb33389083 [0,2,0,0,0,0|2,0,0]=4 9854 B12R1.17 CC(CCN)c1cncc(F)c1 Amb25068199 [0,2,0,0,0,0|2,0,0]=4 9855 B12R1.17 CC(CCO)c1cccc(Cl)c1 Amb17234166 [0,2,0,0,0,0|0,0,0]=2 9856 B12R1.17 CC(CCO)c1cccc(F)c1 Amb17232674 [0,2,0,0,0,0|0,0,0]=2 9857 B12R1.17 CC(CON)c1cccc(Br)c1 Amb33451596 [0,2,0,0,0,0|2,0,0]=4 9858 B12R1.17 CC(CON)c1cccc(Cl)c1 Amb33223337 [0,2,0,0,0,0|2,0,0]=4 9859 B12R1.17 CC(CON)c1cccc(F)c1 Amb33316038 [0,2,0,0,0,0|2,0,0]=4 9860 B12R1.17 CC(CON)c1cccc(O)c1 Amb33310967 [0,2,0,0,0,0|2,0,0]=4 9861 B12R1.17 CCCC(=O)c1cccc(Br)c1 Amb17193987 [0,2,0,0,0,0|1,0,1]=4 9862 B12R1.17 CCCC(=O)c1cccc(C)c1 Amb3940677 [0,2,0,0,0,0|1,0,1]=4 9863 B12R1.17 CCCC(=O)c1cccc(Cl)c1 Amb17198744 [0,2,0,0,0,0|1,0,1]=4 9864 B12R1.17 CCCC(=O)c1cccc(F)c1 Amb17232581 [0,2,0,0,0,0|1,0,1]=4 9865 B12R1.17 CCCC(=O)c1cccc(N)c1 Amb33548311 [0,2,0,0,0,0|1,0,1]=4 9866 B12R1.17 CCCC(C)c1cccc(O)c1 Amb27229592 [0,2,0,0,0,0|1,0,0]=3 9867 B12R1.17 CCCC(C)c1ccnc(N)c1 Amb27803952 [0,2,0,0,0,0|2,0,0]=4 9868 B12R1.17 CCCC(C)c1cncc(O)c1 Amb32669515 [0,2,0,0,0,0|2,0,0]=4 9869 B12R1.17 CCCC(Cl)c1cccc(Br)c1 Amb29880680 [0,2,0,0,0,0|1,0,0]=3 9870 B12R1.17 CCCC(Cl)c1cccc(Cl)c1 Amb27656221 [0,2,0,0,0,0|1,0,0]=3 9871 B12R1.17 CCCC(N)c1cc(I)ccn1 Amb27644671 [0,2,0,0,0,0|2,0,0]=4 9872 B12R1.17 CCCC(N)c1cccc(Br)c1 Amb28240805 [0,2,0,0,0,0|1,0,0]=3 9873 B12R1.17 CCCC(N)c1cccc(C)c1 Amb17232449 [0,2,0,0,0,0|1,0,0]=3 9874 B12R1.17 CCCC(N)c1cccc(C)c1 Amb32662396 [0,2,0,0,0,0|1,0,0]=3 9875 B12R1.17 CCCC(N)c1cccc(C)n1 Amb18828650 [0,2,0,0,0,0|2,0,0]=4 9876 B12R1.17 CCCC(N)c1cccc(Cl)c1 Amb17234050 [0,2,0,0,0,0|1,0,0]=3 9877 B12R1.17 CCCC(N)c1cccc(F)c1 Amb17232649 [0,2,0,0,0,0|1,0,0]=3 9878 B12R1.17 CCCC(N)c1cccc(F)c1 Amb30982493 [0,2,0,0,0,0|1,0,0]=3 9879 B12R1.17 CCCC(N)c1cccc(F)n1 Amb18199297 [0,2,0,0,0,0|2,0,0]=4 9880 B12R1.17 CCCC(N)c1cccc(I)c1 Amb27209580 [0,2,0,0,0,0|1,0,0]=3 9881 B12R1.17 CCCC(N)c1cccc(N)c1 Amb25891904 [0,2,0,0,0,0|1,0,0]=3 9882 B12R1.17 CCCC(N)c1cccc(O)n1 Amb28040881 [0,2,0,0,0,0|2,0,0]=4 9883 B12R1.17 CCCC(N)c1ccnc(Br)c1 Amb28411693 [0,2,0,0,0,0|2,0,0]=4 9884 B12R1.17 CCCC(N)c1ccnc(F)c1 Amb27596105 [0,2,0,0,0,0|2,0,0]=4 9885 B12R1.17 CCCC(N)c1ccnc(N)c1 Amb27872124 [0,2,0,0,0,0|2,0,0]=4 9886 B12R1.17 CCCC(N)c1cncc(F)c1 Amb18978747 [0,2,0,0,0,0|2,0,0]=4 9887 B12R1.17 CCCC(O)c1cc(C)ccn1 Amb24425208 [0,2,0,0,0,0|2,0,0]=4 9888 B12R1.17 CCCC(O)c1ccc[n+]([O-])c1 Amb4010118 [0,2,0,0,0,0|2,0,0]=4 9889 B12R1.17 CCCC(O)c1cccc(Br)c1 Amb17248424 [0,2,0,0,0,0|1,0,0]=3 9890 B12R1.17 CCCC(O)c1cccc(C)c1 Amb17232484 [0,2,0,0,0,0|1,0,0]=3 9891 B12R1.17 CCCC(O)c1cccc(Cl)c1 Amb17234155 [0,2,0,0,0,0|1,0,0]=3 9892 B12R1.17 CCCC(O)c1cccc(F)c1 Amb17232673 [0,2,0,0,0,0|1,0,0]=3 9893 B12R1.17 CCCC(O)c1cccc(N)n1 Amb35743352 [0,2,0,0,0,0|2,0,0]=4 9894 B12R1.17 CCCC(O)c1cncc(Br)c1 Amb27396365 [0,2,0,0,0,0|2,0,0]=4 9895 B12R1.17 CCCS(=O)c1cccc(N)c1 Amb27258884 [0,2,0,0,0,0|2,0,0]=4 9896 B12R1.17 CCC[C@@H](N)c1cccc(Br)n1 Amb27389222 [0,2,0,0,0,0|2,0,0]=4 9897 B12R1.17 CCC[C@@H](N)c1cccc(I)c1 Amb27814307 [0,2,0,0,0,0|1,0,0]=3 9898 B12R1.17 CCC[C@@H](N)c1cncc(Br)c1 Amb27871457 [0,2,0,0,0,0|2,0,0]=4 9899 B12R1.17 CCC[C@@H](N)c1cncc(Cl)c1 Amb27413079 [0,2,0,0,0,0|2,0,0]=4 9900 B12R1.17 CCC[C@@H](N)c1cncc(F)c1 Amb28314221 [0,2,0,0,0,0|2,0,0]=4 9901 B12R1.17 CCC[C@@H](N)c1cncc(N)c1 Amb28289918 [0,2,0,0,0,0|2,0,0]=4 9902 B12R1.17 CCC[C@@H](O)c1cc(C)ccn1 Amb25048748 [0,2,0,0,0,0|2,0,0]=4 9903 B12R1.17 CCC[C@@H](O)c1cccc(Br)c1 Amb27176217 [0,2,0,0,0,0|1,0,0]=3 9904 B12R1.17 CCC[C@@H](O)c1cccc(C)n1 Amb27614634 [0,2,0,0,0,0|2,0,0]=4 9905 B12R1.17 CCC[C@@H](O)c1cccc(F)c1 Amb28138837 [0,2,0,0,0,0|1,0,0]=3 9906 B12R1.17 CCC[C@H](N)c1cc(Br)ccn1 Amb27870781 [0,2,0,0,0,0|2,0,0]=4 9907 B12R1.17 CCC[C@H](N)c1cc(Cl)ccn1 Amb27243945 [0,2,0,0,0,0|2,0,0]=4 9908 B12R1.17 CCC[C@H](N)c1cc(I)ccn1 Amb27402524 [0,2,0,0,0,0|2,0,0]=4 9909 B12R1.17 CCC[C@H](N)c1cc(N)ccn1 Amb27389122 [0,2,0,0,0,0|2,0,0]=4 9910 B12R1.17 CCC[C@H](N)c1cccc(C)c1 Amb28313719 [0,2,0,0,0,0|1,0,0]=3 9911 B12R1.17 CCC[C@H](N)c1cccc(Cl)c1 Amb28346844 [0,2,0,0,0,0|1,0,0]=3 9912 B12R1.17 CCC[C@H](N)c1cccc(Cl)n1 Amb27413078 [0,2,0,0,0,0|2,0,0]=4 9913 B12R1.17 CCC[C@H](N)c1cccc(F)c1 Amb27626030 [0,2,0,0,0,0|1,0,0]=3 9914 B12R1.17 CCC[C@H](N)c1cccc(N)c1 Amb28255487 [0,2,0,0,0,0|1,0,0]=3 9915 B12R1.17 CCC[C@H](N)c1cncc(F)c1 Amb27786356 [0,2,0,0,0,0|2,0,0]=4 9916 B12R1.17 CCC[C@H](O)c1cc(C)ccn1 Amb25848810 [0,2,0,0,0,0|2,0,0]=4 9917 B12R1.17 CCC[C@H](O)c1cccc(Cl)c1 Amb27826760 [0,2,0,0,0,0|1,0,0]=3 9918 B12R1.17 CCNC(C)c1cccc(Br)c1 Amb6258594 [0,2,0,0,0,0|2,0,0]=4 9919 B12R1.17 CCNC(C)c1cccc(Cl)c1 Amb6258034 [0,2,0,0,0,0|2,0,0]=4 9920 B12R1.17 CCNC(C)c1cccc(F)c1 Amb6269871 [0,2,0,0,0,0|2,0,0]=4 9921 B12R1.17 CCNC(C)c1cccc(O)c1 Amb6266939 [0,2,0,0,0,0|2,0,0]=4 9922 B12R1.17 CCNC(C)c1cccc(O)c1 Amb7969803 [0,2,0,0,0,0|2,0,0]=4 9923 B12R1.17 CCN[C@H](C)c1cccc(F)c1 Amb27263944 [0,2,0,0,0,0|2,0,0]=4 9924 B12R1.17 CCN[C@H](C)c1cccc(O)c1 Amb28206952 [0,2,0,0,0,0|2,0,0]=4 9925 B12R1.17 CCOC(C)c1cccc(N)c1 Amb18973987 [0,2,0,0,0,0|2,0,0]=4 9926 B12R1.17 CCSC(C)c1cccc(F)c1 Amb27790121 [0,2,0,0,0,0|2,0,0]=4 9927 B12R1.17 CN(CCCl)c1cccc(Br)c1 Amb17351920 [0,2,0,0,0,0|2,0,0]=4 9928 B12R1.17 CN(CCCl)c1cccc(Cl)c1 Amb17338056 [0,2,0,0,0,0|2,0,0]=4 9929 B12R1.17 CN(CCCl)c1cccc(F)c1 Amb17335953 [0,2,0,0,0,0|2,0,0]=4 9930 B12R1.17 CN(CCF)c1cccc(N)c1 Amb27614743 [0,2,0,0,0,0|2,0,0]=4 9931 B12R1.17 CN(CCN)c1cccc(Br)c1 Amb17059773 [0,2,0,0,0,0|2,0,0]=4 9932 B12R1.17 CN(CCN)c1cccc(Cl)c1 Amb17059646 [0,2,0,0,0,0|2,0,0]=4 9933 B12R1.17 CN(CCN)c1cccc(F)c1 Amb17059643 [0,2,0,0,0,0|2,0,0]=4 9934 B12R1.17 CN(CCO)c1cc(Br)ccn1 Amb18160449 [0,2,0,0,0,0|2,0,0]=4 9935 B12R1.17 CN(CCO)c1cc(N)ccn1 Amb18981476 [0,2,0,0,0,0|2,0,0]=4 9936 B12R1.17 CN(CCO)c1cccc(Br)c1 Amb17344452 [0,2,0,0,0,0|1,0,0]=3 9937 B12R1.17 CN(CCO)c1cccc(Cl)c1 Amb17335811 [0,2,0,0,0,0|1,0,0]=3 9938 B12R1.17 CN(CCO)c1cccc(Cl)n1 Amb21957698 [0,2,0,0,0,0|2,0,0]=4 9939 B12R1.17 CN(CCO)c1cccc(F)c1 Amb17334765 [0,2,0,0,0,0|1,0,0]=3 9940 B12R1.17 CN(CCO)c1ccnc(Cl)c1 Amb27793967 [0,2,0,0,0,0|2,0,0]=4 9941 B12R1.17 CN(CCO)c1cncc(Br)c1 Amb23744740 [0,2,0,0,0,0|2,0,0]=4 9942 B12R1.17 CNCC(C)c1cccc(Br)c1 Amb28454540 [0,2,0,0,0,0|2,0,0]=4 9943 B12R1.17 CNCC(C)c1cccc(Cl)c1 Amb27836338 [0,2,0,0,0,0|2,0,0]=4 9944 B12R1.17 CNCC(C)c1cccc(F)c1 Amb27770263 [0,2,0,0,0,0|2,0,0]=4 9945 B12R1.17 CNCC(C)c1cccc(N)c1 Amb33071780 [0,2,0,0,0,0|2,0,0]=4 9946 B12R1.17 CNCC(Cl)c1cccc(O)c1 Amb27983837 [0,2,0,0,0,0|2,0,0]=4 9947 B12R1.17 CNCC(N)c1cccc(C)c1 Amb33229799 [0,2,0,0,0,0|2,0,0]=4 9948 B12R1.17 CNCC(N)c1cccc(O)c1 Amb27223878 [0,2,0,0,0,0|2,0,0]=4 9949 B12R1.17 CNCC(O)c1cccc(Br)c1 Amb17142607 [0,2,0,0,0,0|2,0,0]=4 9950 B12R1.17 CNCC(O)c1cccc(C)c1 Amb5750896 [0,2,0,0,0,0|2,0,0]=4 9951 B12R1.17 CNCC(O)c1cccc(Cl)c1 Amb5750902 [0,2,0,0,0,0|2,0,0]=4 9952 B12R1.17 CNCC(O)c1cccc(F)c1 Amb18289718 [0,2,0,0,0,0|2,0,0]=4 9953 B12R1.17 CNCC(O)c1cccc(N)c1 Amb17594135 [0,2,0,0,0,0|2,0,0]=4 9954 B12R1.17 CNCC(O)c1cccc(O)c1 Amb532942 [0,2,0,0,0,0|2,0,0]=4 9955 B12R1.17 CNC[C@@H](O)c1cccc(F)c1 Amb27232737 [0,2,0,0,0,0|2,0,0]=4 9956 B12R1.17 CNC[C@@H](O)c1cccc(O)c1 Amb16231685 [0,2,0,0,0,0|2,0,0]=4 9957 B12R1.17 CNC[C@@H](O)c1cccc(O)c1 Amb19133645 [0,2,0,0,0,0|2,0,0]=4 9958 B12R1.17 CNC[C@H](O)c1cccc(F)c1 Amb28118835 [0,2,0,0,0,0|2,0,0]=4 9959 B12R1.17 CNC[C@H](O)c1cccc(O)c1 Amb22168059 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.17 CNC[C@H](O)c1cccc(O)c1 Amb3940531 [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.17 CNC[C@H](O)c1cccc(O)c1 Amb8514350 [0,2,0,0,0,0|2,0,0]=4 9962 B12R1.17 COCC(N)c1cccc(Br)c1 Amb26539591 [0,2,0,0,0,0|2,0,0]=4 9963 B12R1.17 COCC(N)c1cccc(Cl)c1 Amb18983032 [0,2,0,0,0,0|2,0,0]=4 9964 B12R1.17 COCC(O)c1cccc(Br)c1 Amb28460964 [0,2,0,0,0,0|2,0,0]=4 9965 B12R1.17 COCC(O)c1cccc(C)c1 Amb18792769 [0,2,0,0,0,0|2,0,0]=4 9966 B12R1.17 COCC(O)c1cccc(I)c1 Amb27840725 [0,2,0,0,0,0|2,0,0]=4 9967 B12R1.17 COCC(O)c1cccc(N)c1 Amb13952267 [0,2,0,0,0,0|2,0,0]=4 9968 B12R1.17 COC[C@@H](N)c1cccc(C)c1 Amb28140107 [0,2,0,0,0,0|2,0,0]=4 9969 B12R1.17 COC[C@@H](N)c1cccc(I)c1 Amb27200280 [0,2,0,0,0,0|2,0,0]=4 9970 B12R1.17 COC[C@@H](N)c1cccc(S)c1 Amb27173664 [0,2,0,0,0,0|2,0,0]=4 9971 B12R1.17 COC[C@H](N)c1cccc(Br)c1 Amb27614746 [0,2,0,0,0,0|2,0,0]=4 9972 B12R1.17 COC[C@H](N)c1cccc(F)c1 Amb28314321 [0,2,0,0,0,0|2,0,0]=4 9973 B12R1.17 COC[C@H](N)c1cccc(O)c1 Amb27950844 [0,2,0,0,0,0|2,0,0]=4 9974 B12R1.17 CSCC(N)c1cccc(Br)c1 Amb35626225 [0,2,0,0,0,0|2,0,0]=4 9975 B12R1.17 CSCC(O)c1cccc(Br)c1 Amb35728583 [0,2,0,0,0,0|2,0,0]=4 9976 B12R1.17 CSCC(O)c1cccc(C)c1 Amb19061294 [0,2,0,0,0,0|2,0,0]=4 9977 B12R1.17 CSCC(O)c1cccc(Cl)c1 Amb28120471 [0,2,0,0,0,0|2,0,0]=4 9978 B12R1.17 C[C@H](CCO)c1cccc(Cl)c1 Amb28317668 [0,2,0,0,0,0|0,0,0]=2 9979 B12R1.17 C[NH2+]CC(O)c1cccc(O)c1 Amb4282886 [0,2,0,0,0,0|2,0,0]=4 9980 B12R1.17 C\C(=C/CO)c1cccc(Br)c1 Amb27248580 [0,2,0,0,0,0|0,0,2]=4 9981 B12R1.17 C\C(=C/CO)c1cccc(Cl)c1 Amb27628731 [0,2,0,0,0,0|0,0,2]=4 9982 B12R1.17 Cc1cc(C(C)CCN)ccn1 Amb33268669 [0,2,0,0,0,0|2,0,0]=4 9983 B12R1.17 Cc1cc(C(F)CCN)ccn1 Amb32732959 [0,2,0,0,0,0|2,0,0]=4 9984 B12R1.17 Cc1cc(C(N)CCO)ccn1 Amb25727723 [0,2,0,0,0,0|1,0,0]=3 9985 B12R1.17 Cc1cc(C(O)CCN)ccn1 Amb32694209 [0,2,0,0,0,0|2,0,0]=4 9986 B12R1.17 Cc1cc([C@@H](O)CCN)ccn1 Amb32733156 [0,2,0,0,0,0|2,0,0]=4 9987 B12R1.17 Cc1cc([C@H](O)CCN)ccn1 Amb32732960 [0,2,0,0,0,0|2,0,0]=4 9988 B12R1.17 Cc1cccc(C(=O)CCBr)c1 Amb26841200 [0,2,0,0,0,0|1,0,1]=4 9989 B12R1.17 Cc1cccc(C(=O)CCN)c1 Amb24700399 [0,2,0,0,0,0|1,0,1]=4 9990 B12R1.17 Cc1cccc(C(=O)CCO)c1 Amb25735228 [0,2,0,0,0,0|0,0,1]=3 9991 B12R1.17 Cc1cccc(C(=O)NCO)c1 Amb27616730 [0,2,0,0,0,0|1,0,1]=4 9992 B12R1.17 Cc1cccc(C(C)CC#N)c1 Amb28125812 [0,2,0,0,0,0|1,0,1]=4 9993 B12R1.17 Cc1cccc(C(C)CCN)c1 Amb17232450 [0,2,0,0,0,0|1,0,0]=3 9994 B12R1.17 Cc1cccc(C(C)CCN)n1 Amb33200746 [0,2,0,0,0,0|2,0,0]=4 9995 B12R1.17 Cc1cccc(C(C)CCO)c1 Amb17232501 [0,2,0,0,0,0|0,0,0]=2 9996 B12R1.17 Cc1cccc(C(C)CON)c1 Amb33203925 [0,2,0,0,0,0|2,0,0]=4 9997 B12R1.17 Cc1cccc(C(F)CCN)c1 Amb25043004 [0,2,0,0,0,0|1,0,0]=3 9998 B12R1.17 Cc1cccc(C(F)CCN)n1 Amb33199944 [0,2,0,0,0,0|2,0,0]=4 9999 B12R1.17 Cc1cccc(C(N)CC#N)c1 Amb18563499 [0,2,0,0,0,0|1,0,1]=4 10000 B12R1.17 Cc1cccc(C(N)CCO)c1 Amb17103954 [0,2,0,0,0,0|0,0,0]=2 10001 B12R1.17 Cc1cccc(C(N)CCO)n1 Amb24697663 [0,2,0,0,0,0|1,0,0]=3 10002 B12R1.17 Cc1cccc(C(O)CC#N)c1 Amb1111387 [0,2,0,0,0,0|1,0,1]=4 10003 B12R1.17 Cc1cccc(C(O)CCN)c1 Amb17232540 [0,2,0,0,0,0|1,0,0]=3 10004 B12R1.17 Cc1cccc(C(O)CCN)n1 Amb33200754 [0,2,0,0,0,0|2,0,0]=4 10005 B12R1.17 Cc1cccc(C(O)CCO)c1 Amb27404138 [0,2,0,0,0,0|0,0,0]=2 10006 B12R1.17 Cc1cccc(C(O)CNN)c1 Amb17232609 [0,2,0,0,0,0|2,0,0]=4 10007 B12R1.17 Cc1cccc(C(O)CNO)c1 Amb17334703 [0,2,0,0,0,0|1,0,0]=3 10008 B12R1.17 Cc1cccc(N(C)CCBr)c1 Amb27751471 [0,2,0,0,0,0|2,0,0]=4 10009 B12R1.17 Cc1cccc(N(C)CCCl)c1 Amb17335671 [0,2,0,0,0,0|2,0,0]=4 10010 B12R1.17 Cc1cccc(N(C)CCN)c1 Amb17059641 [0,2,0,0,0,0|2,0,0]=4 10011 B12R1.17 Cc1cccc(N(C)CCN)c1 Amb33446965 [0,2,0,0,0,0|2,0,0]=4 10012 B12R1.17 Cc1cccc(N(C)CCO)c1 Amb17334644 [0,2,0,0,0,0|1,0,0]=3 10013 B12R1.17 Cc1cccc(S(=O)CCN)c1 Amb18974528 [0,2,0,0,0,0|2,0,0]=4 10014 B12R1.17 Cc1cccc([C@@H](N)CCN)c1 Amb28131373 [0,2,0,0,0,0|1,0,0]=3 10015 B12R1.17 Cc1cccc([C@@H](N)CCN)n1 Amb27788427 [0,2,0,0,0,0|2,0,0]=4 10016 B12R1.17 Cc1cccc([C@@H](N)CCO)c1 Amb19888371 [0,2,0,0,0,0|0,0,0]=2 10017 B12R1.17 Cc1cccc([C@@H](O)CCN)c1 Amb33203928 [0,2,0,0,0,0|1,0,0]=3 10018 B12R1.17 Cc1cccc([C@@H](O)CCN)n1 Amb33199945 [0,2,0,0,0,0|2,0,0]=4 10019 B12R1.17 Cc1cccc([C@H](N)CC#N)c1 Amb28057146 [0,2,0,0,0,0|1,0,1]=4 10020 B12R1.17 Cc1cccc([C@H](N)CCN)n1 Amb27881827 [0,2,0,0,0,0|2,0,0]=4 10021 B12R1.17 Cc1cccc([C@H](N)CCO)c1 Amb19887706 [0,2,0,0,0,0|0,0,0]=2 10022 B12R1.17 Cc1cccc([C@H](O)CC#N)c1 Amb27587419 [0,2,0,0,0,0|1,0,1]=4 10023 B12R1.17 Cc1cccc([C@H](O)CCN)c1 Amb33203929 [0,2,0,0,0,0|1,0,0]=3 10024 B12R1.17 Cc1cccc([C@H](O)CCN)n1 Amb33199946 [0,2,0,0,0,0|2,0,0]=4 10025 B12R1.17 Cc1ccnc(C(C)CCN)c1 Amb33318417 [0,2,0,0,0,0|2,0,0]=4 10026 B12R1.17 Cc1ccnc(C(F)CCN)c1 Amb33318128 [0,2,0,0,0,0|2,0,0]=4 10027 B12R1.17 Cc1ccnc(C(N)CCO)c1 Amb28241513 [0,2,0,0,0,0|1,0,0]=3 10028 B12R1.17 Cc1ccnc(C(O)CCN)c1 Amb24584095 [0,2,0,0,0,0|2,0,0]=4 10029 B12R1.17 Cc1ccnc([C@@H](O)CCN)c1 Amb33374501 [0,2,0,0,0,0|2,0,0]=4 10030 B12R1.17 Cc1ccnc([C@H](O)CCN)c1 Amb33374502 [0,2,0,0,0,0|2,0,0]=4 10031 B12R1.17 Cc1cncc(C(C)CCN)c1 Amb26993219 [0,2,0,0,0,0|2,0,0]=4 10032 B12R1.17 Cc1cncc(C(F)CCN)c1 Amb26941065 [0,2,0,0,0,0|2,0,0]=4 10033 B12R1.17 Cc1cncc(C(N)CCO)c1 Amb26403753 [0,2,0,0,0,0|1,0,0]=3 10034 B12R1.17 Cc1cncc(C(O)CCN)c1 Amb25998302 [0,2,0,0,0,0|2,0,0]=4 10035 B12R1.17 Cc1cncc([C@@H](O)CCN)c1 Amb33318019 [0,2,0,0,0,0|2,0,0]=4 10036 B12R1.17 Cc1cncc([C@H](O)CCN)c1 Amb33318020 [0,2,0,0,0,0|2,0,0]=4 10037 B12R1.17 Cc1nccc(C(N)CCO)n1 Amb27955027 [0,2,0,0,0,0|2,0,0]=4 10038 B12R1.17 N#CCC(N)c1cccc(Br)c1 Amb18068031 [0,2,0,0,0,0|1,0,1]=4 10039 B12R1.17 N#CCC(N)c1cccc(Cl)c1 Amb18564159 [0,2,0,0,0,0|1,0,1]=4 10040 B12R1.17 N#CCC(N)c1cccc(F)c1 Amb18563606 [0,2,0,0,0,0|1,0,1]=4 10041 B12R1.17 N#CCC(N)c1cccc(I)c1 Amb27462137 [0,2,0,0,0,0|1,0,1]=4 10042 B12R1.17 N#CCC(O)c1cccc(Br)c1 Amb25139301 [0,2,0,0,0,0|1,0,1]=4 10043 B12R1.17 N#CCC(O)c1cccc(Cl)c1 Amb17233865 [0,2,0,0,0,0|1,0,1]=4 10044 B12R1.17 N#CCC(O)c1cccc(F)c1 Amb17232517 [0,2,0,0,0,0|1,0,1]=4 10045 B12R1.17 N#CCC(O)c1cccc(I)c1 Amb27187554 [0,2,0,0,0,0|1,0,1]=4 10046 B12R1.17 N#CCC(O)c1cccc(N)c1 Amb27251610 [0,2,0,0,0,0|1,0,1]=4 10047 B12R1.17 N#CCC(O)c1cccc(O)c1 Amb25674244 [0,2,0,0,0,0|1,0,1]=4 10048 B12R1.17 N#CC[C@@H](N)c1cccc(Br)c1 Amb27200359 [0,2,0,0,0,0|1,0,1]=4 10049 B12R1.17 N#CC[C@@H](N)c1cccc(I)c1 Amb28383397 [0,2,0,0,0,0|1,0,1]=4 10050 B12R1.17 N#CC[C@@H](N)c1cccc(O)c1 Amb27854039 [0,2,0,0,0,0|1,0,1]=4 10051 B12R1.17 N#CC[C@H](N)c1cccc(F)c1 Amb28119938 [0,2,0,0,0,0|1,0,1]=4 10052 B12R1.17 N#CC[C@H](O)c1cccc(O)c1 Amb27599471 [0,2,0,0,0,0|1,0,1]=4 10053 B12R1.17 NC(CCO)c1cc(Cl)ccn1 Amb27831878 [0,2,0,0,0,0|1,0,0]=3 10054 B12R1.17 NC(CCO)c1cc(F)ccn1 Amb33415611 [0,2,0,0,0,0|1,0,0]=3 10055 B12R1.17 NC(CCO)c1cc(O)ccn1 Amb27831428 [0,2,0,0,0,0|1,0,0]=3 10056 B12R1.17 NC(CCO)c1cccc(Br)c1 Amb18990231 [0,2,0,0,0,0|0,0,0]=2 10057 B12R1.17 NC(CCO)c1cccc(Br)c1 Amb30586495 [0,2,0,0,0,0|0,0,0]=2 10058 B12R1.17 NC(CCO)c1cccc(Br)n1 Amb27258995 [0,2,0,0,0,0|1,0,0]=3 10059 B12R1.17 NC(CCO)c1cccc(Cl)c1 Amb2417047 [0,2,0,0,0,0|0,0,0]=2 10060 B12R1.17 NC(CCO)c1cccc(Cl)n1 Amb28456655 [0,2,0,0,0,0|1,0,0]=3 10061 B12R1.17 NC(CCO)c1cccc(F)c1 Amb2697503 [0,2,0,0,0,0|0,0,0]=2 10062 B12R1.17 NC(CCO)c1cccc(O)c1 Amb19887678 [0,2,0,0,0,0|0,0,0]=2 10063 B12R1.17 NC(CCO)c1cccc(O)c1 Amb31307762 [0,2,0,0,0,0|0,0,0]=2 10064 B12R1.17 NC(CCO)c1ccnc(Cl)c1 Amb22296964 [0,2,0,0,0,0|1,0,0]=3 10065 B12R1.17 NC(CCO)c1ccnc(O)c1 Amb27254178 [0,2,0,0,0,0|1,0,0]=3 10066 B12R1.17 NC(CCO)c1cncc(Br)c1 Amb26880747 [0,2,0,0,0,0|1,0,0]=3 10067 B12R1.17 NC(CCO)c1cncc(Cl)c1 Amb28397860 [0,2,0,0,0,0|1,0,0]=3 10068 B12R1.17 NC(CCO)c1cncc(F)c1 Amb27881707 [0,2,0,0,0,0|1,0,0]=3 10069 B12R1.17 NCCC(=O)c1cccc(Br)c1 Amb18121501 [0,2,0,0,0,0|1,0,1]=4 10070 B12R1.17 NCCC(=O)c1cccc(Cl)c1 Amb26318502 [0,2,0,0,0,0|1,0,1]=4 10071 B12R1.17 NCCC(=O)c1cccc(F)c1 Amb27416316 [0,2,0,0,0,0|1,0,1]=4 10072 B12R1.17 NCCC(=O)c1cccc(O)c1 Amb27479943 [0,2,0,0,0,0|1,0,1]=4 10073 B12R1.17 NCCC(F)c1cc(F)ccn1 Amb33414546 [0,2,0,0,0,0|2,0,0]=4 10074 B12R1.17 NCCC(F)c1cccc(Br)c1 Amb33452141 [0,2,0,0,0,0|1,0,0]=3 10075 B12R1.17 NCCC(F)c1cccc(Br)n1 Amb33433115 [0,2,0,0,0,0|2,0,0]=4 10076 B12R1.17 NCCC(F)c1cccc(Cl)c1 Amb26051695 [0,2,0,0,0,0|1,0,0]=3 10077 B12R1.17 NCCC(F)c1cccc(Cl)n1 Amb33222379 [0,2,0,0,0,0|2,0,0]=4 10078 B12R1.17 NCCC(F)c1cccc(F)c1 Amb28048483 [0,2,0,0,0,0|1,0,0]=3 10079 B12R1.17 NCCC(F)c1cccc(O)c1 Amb26987845 [0,2,0,0,0,0|1,0,0]=3 10080 B12R1.17 NCCC(F)c1cncc(Br)c1 Amb33389566 [0,2,0,0,0,0|2,0,0]=4 10081 B12R1.17 NCCC(F)c1cncc(F)c1 Amb28319695 [0,2,0,0,0,0|2,0,0]=4 10082 B12R1.17 NCCC(N)c1cccc(Br)n1 Amb28142403 [0,2,0,0,0,0|2,0,0]=4 10083 B12R1.17 NCCC(N)c1cccc(Cl)c1 Amb28348609 [0,2,0,0,0,0|1,0,0]=3 10084 B12R1.17 NCCC(N)c1cccc(F)c1 Amb27629792 [0,2,0,0,0,0|1,0,0]=3 10085 B12R1.17 NCCC(O)c1cc(F)ccn1 Amb33415310 [0,2,0,0,0,0|2,0,0]=4 10086 B12R1.17 NCCC(O)c1cccc(Br)c1 Amb18121493 [0,2,0,0,0,0|1,0,0]=3 10087 B12R1.17 NCCC(O)c1cccc(Br)n1 Amb33432764 [0,2,0,0,0,0|2,0,0]=4 10088 B12R1.17 NCCC(O)c1cccc(Cl)c1 Amb17234260 [0,2,0,0,0,0|1,0,0]=3 10089 B12R1.17 NCCC(O)c1cccc(Cl)n1 Amb33223296 [0,2,0,0,0,0|2,0,0]=4 10090 B12R1.17 NCCC(O)c1cccc(F)c1 Amb17232697 [0,2,0,0,0,0|1,0,0]=3 10091 B12R1.17 NCCC(O)c1cccc(I)c1 Amb24493265 [0,2,0,0,0,0|1,0,0]=3 10092 B12R1.17 NCCC(O)c1cccc(O)c1 Amb18251885 [0,2,0,0,0,0|1,0,0]=3 10093 B12R1.17 NCCC(O)c1cncc(Br)c1 Amb28066262 [0,2,0,0,0,0|2,0,0]=4 10094 B12R1.17 NCCC(O)c1cncc(Cl)c1 Amb32694211 [0,2,0,0,0,0|2,0,0]=4 10095 B12R1.17 NCCC(O)c1cncc(F)c1 Amb26361381 [0,2,0,0,0,0|2,0,0]=4 10096 B12R1.17 NCC[C@@H](N)c1cccc(Br)n1 Amb27440476 [0,2,0,0,0,0|2,0,0]=4 10097 B12R1.17 NCC[C@@H](O)c1cc(F)ccn1 Amb33414548 [0,2,0,0,0,0|2,0,0]=4 10098 B12R1.17 NCC[C@@H](O)c1cccc(Br)c1 Amb33451583 [0,2,0,0,0,0|1,0,0]=3 10099 B12R1.17 NCC[C@@H](O)c1cccc(Br)n1 Amb33433112 [0,2,0,0,0,0|2,0,0]=4 10100 B12R1.17 NCC[C@@H](O)c1cccc(Cl)c1 Amb25105024 [0,2,0,0,0,0|1,0,0]=3 10101 B12R1.17 NCC[C@@H](O)c1cccc(Cl)n1 Amb33222371 [0,2,0,0,0,0|2,0,0]=4 10102 B12R1.17 NCC[C@@H](O)c1cccc(F)c1 Amb33316044 [0,2,0,0,0,0|1,0,0]=3 10103 B12R1.17 NCC[C@@H](O)c1cccc(O)c1 Amb33225571 [0,2,0,0,0,0|1,0,0]=3 10104 B12R1.17 NCC[C@@H](O)c1cncc(Br)c1 Amb33389425 [0,2,0,0,0,0|2,0,0]=4 10105 B12R1.17 NCC[C@@H](O)c1cncc(F)c1 Amb33196650 [0,2,0,0,0,0|2,0,0]=4 10106 B12R1.17 NCC[C@H](N)c1cccc(Br)c1 Amb28057464 [0,2,0,0,0,0|1,0,0]=3 10107 B12R1.17 NCC[C@H](N)c1cccc(Cl)c1 Amb27788404 [0,2,0,0,0,0|1,0,0]=3 10108 B12R1.17 NCC[C@H](N)c1ccnc(Br)c1 Amb27467921 [0,2,0,0,0,0|2,0,0]=4 10109 B12R1.17 NCC[C@H](N)c1cncc(Br)c1 Amb28142202 [0,2,0,0,0,0|2,0,0]=4 10110 B12R1.17 NCC[C@H](O)c1cc(F)ccn1 Amb33414547 [0,2,0,0,0,0|2,0,0]=4 10111 B12R1.17 NCC[C@H](O)c1cccc(Br)c1 Amb33451586 [0,2,0,0,0,0|1,0,0]=3 10112 B12R1.17 NCC[C@H](O)c1cccc(Br)n1 Amb33433113 [0,2,0,0,0,0|2,0,0]=4 10113 B12R1.17 NCC[C@H](O)c1cccc(Cl)c1 Amb28323010 [0,2,0,0,0,0|1,0,0]=3 10114 B12R1.17 NCC[C@H](O)c1cccc(Cl)n1 Amb33222375 [0,2,0,0,0,0|2,0,0]=4 10115 B12R1.17 NCC[C@H](O)c1cccc(F)c1 Amb33316043 [0,2,0,0,0,0|1,0,0]=3 10116 B12R1.17 NCC[C@H](O)c1cccc(O)c1 Amb33312067 [0,2,0,0,0,0|1,0,0]=3 10117 B12R1.17 NCC[C@H](O)c1cncc(Br)c1 Amb33389445 [0,2,0,0,0,0|2,0,0]=4 10118 B12R1.17 NCC[C@H](O)c1cncc(F)c1 Amb33197177 [0,2,0,0,0,0|2,0,0]=4 10119 B12R1.17 NNCC(O)c1cccc(Br)c1 Amb17249279 [0,2,0,0,0,0|2,0,0]=4 10120 B12R1.17 NNCC(O)c1cccc(Cl)c1 Amb17234361 [0,2,0,0,0,0|2,0,0]=4 10121 B12R1.17 NNCC(O)c1cccc(F)c1 Amb18563928 [0,2,0,0,0,0|2,0,0]=4 10122 B12R1.17 N[C@@H](CCO)c1cc(O)ccn1 Amb27950107 [0,2,0,0,0,0|1,0,0]=3 10123 B12R1.17 N[C@@H](CCO)c1cccc(Br)c1 Amb8631673 [0,2,0,0,0,0|0,0,0]=2 10124 B12R1.17 N[C@@H](CCO)c1cccc(Br)c1 Amb8631674 [0,2,0,0,0,0|0,0,0]=2 10125 B12R1.17 N[C@@H](CCO)c1cccc(Cl)c1 Amb19888404 [0,2,0,0,0,0|0,0,0]=2 10126 B12R1.17 N[C@@H](CCO)c1cccc(Cl)c1 Amb30874077 [0,2,0,0,0,0|0,0,0]=2 10127 B12R1.17 N[C@@H](CCO)c1cccc(F)c1 Amb19888379 [0,2,0,0,0,0|0,0,0]=2 10128 B12R1.17 N[C@@H](CCO)c1cccc(F)n1 Amb27426755 [0,2,0,0,0,0|1,0,0]=3 10129 B12R1.17 N[C@@H](CCO)c1cccc(I)c1 Amb27248087 [0,2,0,0,0,0|0,0,0]=2 10130 B12R1.17 N[C@@H](CCO)c1cccc(O)c1 Amb19888375 [0,2,0,0,0,0|0,0,0]=2 10131 B12R1.17 N[C@@H](CCO)c1cccc(O)c1 Amb19929578 [0,2,0,0,0,0|0,0,0]=2 10132 B12R1.17 N[C@@H](CCO)c1cncc(Br)c1 Amb26343192 [0,2,0,0,0,0|1,0,0]=3 10133 B12R1.17 N[C@@H](CCO)c1cncc(Cl)c1 Amb27168640 [0,2,0,0,0,0|1,0,0]=3 10134 B12R1.17 N[C@H](CCO)c1cc(Br)ccn1 Amb28119080 [0,2,0,0,0,0|1,0,0]=3 10135 B12R1.17 N[C@H](CCO)c1cccc(Br)c1 Amb19887619 [0,2,0,0,0,0|0,0,0]=2 10136 B12R1.17 N[C@H](CCO)c1cccc(Br)c1 Amb19943918 [0,2,0,0,0,0|0,0,0]=2 10137 B12R1.17 N[C@H](CCO)c1cccc(Cl)c1 Amb19887652 [0,2,0,0,0,0|0,0,0]=2 10138 B12R1.17 N[C@H](CCO)c1cccc(F)c1 Amb19887668 [0,2,0,0,0,0|0,0,0]=2 10139 B12R1.17 N[C@H](CCO)c1cccc(F)c1 Amb19888995 [0,2,0,0,0,0|0,0,0]=2 10140 B12R1.17 N[C@H](CCO)c1cccc(I)c1 Amb28048810 [0,2,0,0,0,0|0,0,0]=2 10141 B12R1.17 N[C@H](CCO)c1cccc(O)c1 Amb33812400 [0,2,0,0,0,0|0,0,0]=2 10142 B12R1.17 N[C@H](CCO)c1cccc(S)c1 Amb27874125 [0,2,0,0,0,0|0,0,0]=2 10143 B12R1.17 N[C@H](CCO)c1cncc(Br)c1 Amb25758880 [0,2,0,0,0,0|1,0,0]=3 10144 B12R1.17 N[C@H](CCO)c1cncc(F)c1 Amb27968665 [0,2,0,0,0,0|1,0,0]=3 10145 B12R1.17 Nc1cc(C(N)CCO)ccn1 Amb27759964 [0,2,0,0,0,0|1,0,0]=3 10146 B12R1.17 Nc1cccc(C(=O)CCCl)c1 Amb27665899 [0,2,0,0,0,0|1,0,1]=4 10147 B12R1.17 Nc1cccc(C(N)CCO)c1 Amb19929590 [0,2,0,0,0,0|0,0,0]=2 10148 B12R1.17 Nc1cccc(C(N)CCO)c1 Amb22235814 [0,2,0,0,0,0|0,0,0]=2 10149 B12R1.17 Nc1cccc(C(N)CCO)n1 Amb27234618 [0,2,0,0,0,0|1,0,0]=3 10150 B12R1.17 Nc1cccc(S(=O)CCO)c1 Amb27197309 [0,2,0,0,0,0|1,0,0]=3 10151 B12R1.17 Nc1cccc([C@@H](N)CCO)c1 Amb8631340 [0,2,0,0,0,0|0,0,0]=2 10152 B12R1.17 Nc1cccc([C@H](N)CCO)n1 Amb27596609 [0,2,0,0,0,0|1,0,0]=3 10153 B12R1.17 Nc1cncc([C@H](N)CCO)c1 Amb27249799 [0,2,0,0,0,0|1,0,0]=3 10154 B12R1.17 O=C(CCBr)c1cccc(Br)c1 Amb17437897 [0,2,0,0,0,0|1,0,1]=4 10155 B12R1.17 O=C(CCBr)c1cccc(F)c1 Amb25669661 [0,2,0,0,0,0|1,0,1]=4 10156 B12R1.17 O=C(CCBr)c1cccc(I)c1 Amb26398515 [0,2,0,0,0,0|1,0,1]=4 10157 B12R1.17 O=C(CCBr)c1cccc(O)c1 Amb28187113 [0,2,0,0,0,0|1,0,1]=4 10158 B12R1.17 O=C(CCCl)c1cccc(Br)c1 Amb17351482 [0,2,0,0,0,0|1,0,1]=4 10159 B12R1.17 O=C(CCCl)c1cccc(Cl)c1 Amb25742498 [0,2,0,0,0,0|1,0,1]=4 10160 B12R1.17 O=C(CCCl)c1cccc(I)c1 Amb27488590 [0,2,0,0,0,0|1,0,1]=4 10161 B12R1.17 O=C(CCCl)c1cccc(O)c1 Amb26549170 [0,2,0,0,0,0|1,0,1]=4 10162 B12R1.17 O=C(CCI)c1cccc(Cl)c1 Amb27621668 [0,2,0,0,0,0|1,0,1]=4 10163 B12R1.17 O=C(CCO)c1cccc(Br)c1 Amb26883865 [0,2,0,0,0,0|0,0,1]=3 10164 B12R1.17 O=C(CCO)c1cccc(F)c1 Amb27163257 [0,2,0,0,0,0|0,0,1]=3 10165 B12R1.17 O=CCC(O)c1cccc(I)c1 Amb28066980 [0,2,0,0,0,0|0,0,2]=4 10166 B12R1.17 OCCC(O)c1ccnc(Cl)c1 Amb22298355 [0,2,0,0,0,0|1,0,0]=3 10167 B12R1.17 OCCC(O)c1cncc(Br)c1 Amb28455364 [0,2,0,0,0,0|1,0,0]=3 10168 B12R1.17 OCC[C@@H](O)c1cccc(Cl)c1 Amb25049479 [0,2,0,0,0,0|0,0,0]=2 10169 B12R1.17 OCC[C@H](O)c1cccc(Cl)c1 Amb26561233 [0,2,0,0,0,0|0,0,0]=2 10170 B12R1.17 ONCC(O)c1cccc(Br)c1 Amb17345006 [0,2,0,0,0,0|1,0,0]=3 10171 B12R1.17 ONCC(O)c1cccc(Cl)c1 Amb17335948 [0,2,0,0,0,0|1,0,0]=3 10172 B12R1.17 ONCC(O)c1cccc(O)c1 Amb17334759 [0,2,0,0,0,0|1,0,0]=3 10173 B12R1.17 O[C@@H](CCCl)c1cccc(F)c1 Amb28365651 [0,2,0,0,0,0|1,0,0]=3 10174 B12R1.17 O[C@H](CCCl)c1cccc(F)c1 Amb28121134 [0,2,0,0,0,0|1,0,0]=3 10175 B12R1.17 [C-]#[N+]CC(F)c1cccc(O)c1 Amb28435299 [0,2,0,0,0,0|2,0,0]=4 10176 B12R1.30 C#CCCC(=O)c1ccccc1 Amb8869629 [0,2,0,0,0,0|1,0,1]=4 10177 B12R1.30 C#CCCC(C)c1ccccc1 Amb33081910 [0,2,0,0,0,0|1,0,0]=3 10178 B12R1.30 C#CCCC(N)c1ccccc1 Amb25959477 [0,2,0,0,0,0|1,0,0]=3 10179 B12R1.30 C#CCCC(N)c1ccccn1 Amb27478373 [0,2,0,0,0,0|2,0,0]=4 10180 B12R1.30 C#CCCC(O)c1ccccc1 Amb18800360 [0,2,0,0,0,0|1,0,0]=3 10181 B12R1.30 C#CCCC(O)c1ccccn1 Amb25765607 [0,2,0,0,0,0|2,0,0]=4 10182 B12R1.30 C#CCCC(O)c1ccncc1 Amb27806650 [0,2,0,0,0,0|2,0,0]=4 10183 B12R1.30 C#CCCN(C)c1ccccc1 Amb10559135 [0,2,0,0,0,0|1,0,1]=4 10184 B12R1.30 C#CCNC(C)c1ccccc1 Amb2721857 [0,2,0,0,0,0|1,0,1]=4 10185 B12R1.30 C#CCN[C@H](C)c1ccccc1 Amb27389242 [0,2,0,0,0,0|1,0,1]=4 10186 B12R1.30 C=C=CCC(O)c1ccccc1 Amb27484788 [0,2,0,0,0,0|1,0,1]=4 10187 B12R1.30 C=C=CC[C@@H](O)c1ccccc1 Amb27977896 [0,2,0,0,0,0|1,0,1]=4 10188 B12R1.30 C=CCCC(=O)c1ccccc1 Amb9031540 [0,2,0,0,0,0|1,0,1]=4 10189 B12R1.30 C=CCCC(C)c1ccccc1 Amb24062989 [0,2,0,0,0,0|1,0,0]=3 10190 B12R1.30 C=CCCC(N)c1ccccc1 Amb18126305 [0,2,0,0,0,0|1,0,0]=3 10191 B12R1.30 C=CCCC(O)c1ccccc1 Amb18800658 [0,2,0,0,0,0|1,0,0]=3 10192 B12R1.30 C=CCCC(O)c1ccccn1 Amb2697236 [0,2,0,0,0,0|2,0,0]=4 10193 B12R1.30 C=CCCC(O)c1cccnc1 Amb2697234 [0,2,0,0,0,0|2,0,0]=4 10194 B12R1.30 C=CCCC(O)c1ccncc1 Amb2697235 [0,2,0,0,0,0|2,0,0]=4 10195 B12R1.30 C=CCNC(C)c1ccccc1 Amb6683836 [0,2,0,0,0,0|1,0,1]=4 10196 B12R1.30 CC(CCC#N)c1ccccc1 Amb18645228 [0,2,0,0,0,0|1,0,0]=3 10197 B12R1.30 CC(CCC=O)c1ccccc1 Amb18645711 [0,2,0,0,0,0|0,0,1]=3 10198 B12R1.30 CC(CCCBr)c1ccccc1 Amb33082370 [0,2,0,0,0,0|1,0,0]=3 10199 B12R1.30 CC(CCCN)c1ccccc1 Amb18563593 [0,2,0,0,0,0|1,0,0]=3 10200 B12R1.30 CC(CCCO)c1ccccc1 Amb33213887 [0,2,0,0,0,0|0,0,0]=2 10201 B12R1.30 CC(CCCS)c1ccccc1 Amb33082130 [0,2,0,0,0,0|0,1,0]=3 10202 B12R1.30 CC(CCON)c1ccccc1 Amb33081860 [0,2,0,0,0,0|0,0,0]=2 10203 B12R1.30 CC(CN=C=O)c1ccccc1 Amb2694678 [0,2,0,0,0,0|0,0,2]=4 10204 B12R1.30 CC(CN=[N+]=[N-])c1ccccc1 Amb26883116 [0,2,0,0,0,0|2,0,0]=4 10205 B12R1.30 CC(CNC=O)c1ccccc1 Amb27776616 [0,2,0,0,0,0|0,0,2]=4 10206 B12R1.30 CC(NCC#N)c1ccccc1 Amb6706903 [0,2,0,0,0,0|1,0,1]=4 10207 B12R1.30 CC(NCCCl)c1ccccc1 Amb17335659 [0,2,0,0,0,0|1,0,0]=3 10208 B12R1.30 CC(NCCN)c1ccccc1 Amb17091024 [0,2,0,0,0,0|1,0,0]=3 10209 B12R1.30 CC(NCCO)c1ccccc1 Amb2092663 [0,2,0,0,0,0|0,0,0]=2 10210 B12R1.30 CC(NCCO)c1ccccn1 Amb7809203 [0,2,0,0,0,0|1,0,0]=3 10211 B12R1.30 CC(NCCO)c1cccnc1 Amb7809201 [0,2,0,0,0,0|1,0,0]=3 10212 B12R1.30 CC(NCCO)c1ccncc1 Amb7809202 [0,2,0,0,0,0|1,0,0]=3 10213 B12R1.30 CC(NCCO)c1cnccn1 Amb21861913 [0,2,0,0,0,0|2,0,0]=4 10214 B12R1.30 CC(OCCN)c1ccccc1 Amb6248427 [0,2,0,0,0,0|1,0,0]=3 10215 B12R1.30 CC(OCCO)c1ccccc1 Amb24103429 [0,2,0,0,0,0|0,0,0]=2 10216 B12R1.30 CC(SCCN)c1ccccc1 Amb17500453 [0,2,0,0,0,0|1,0,0]=3 10217 B12R1.30 CC(\C=C\CBr)c1ccccc1 Amb27495265 [0,2,0,0,0,0|1,0,1]=4 10218 B12R1.30 CC(\C=C\CCl)c1ccccc1 Amb25776220 [0,2,0,0,0,0|1,0,1]=4 10219 B12R1.30 CC(\C=C\CN)c1ccccc1 Amb33042866 [0,2,0,0,0,0|1,0,1]=4 10220 B12R1.30 CC(\C=C\CO)c1ccccc1 Amb33042867 [0,2,0,0,0,0|0,0,1]=3 10221 B12R1.30 CCCCC(=O)c1ccccc1 Amb4605998 [0,2,0,0,0,0|1,0,0]=3 10222 B12R1.30 CCCCC(=O)c1ccccn1 Amb6301472 [0,2,0,0,0,0|2,0,0]=4 10223 B12R1.30 CCCCC(=O)c1cccnc1 Amb10607964 [0,2,0,0,0,0|2,0,0]=4 10224 B12R1.30 CCCCC(=O)c1ccncc1 Amb10573758 [0,2,0,0,0,0|2,0,0]=4 10225 B12R1.30 CCCCC(N)c1ccccc1 Amb9717704 [0,2,0,0,0,0|1,0,0]=3 10226 B12R1.30 CCCCC(N)c1ccccn1 Amb19026090 [0,2,0,0,0,0|2,0,0]=4 10227 B12R1.30 CCCCC(N)c1ccccn1 Amb35745637 [0,2,0,0,0,0|2,0,0]=4 10228 B12R1.30 CCCCC(N)c1cccnc1 Amb10607965 [0,2,0,0,0,0|2,0,0]=4 10229 B12R1.30 CCCCC(N)c1ccncc1 Amb10573553 [0,2,0,0,0,0|2,0,0]=4 10230 B12R1.30 CCCCC(O)c1ccccc1 Amb4034459 [0,2,0,0,0,0|1,0,0]=3 10231 B12R1.30 CCCCC(S)c1ccccc1 Amb32788793 [0,2,0,0,0,0|1,0,0]=3 10232 B12R1.30 CCCCN(N)c1ccccc1 Amb17226670 [0,2,0,0,0,0|1,0,0]=3 10233 B12R1.30 CCCC[C@@H](N)c1ccccc1 Amb28555742 [0,2,0,0,0,0|1,0,0]=3 10234 B12R1.30 CCCC[C@@H](N)c1ccccc1 Amb33276169 [0,2,0,0,0,0|1,0,0]=3 10235 B12R1.30 CCCC[C@@H](O)c1ccccc1 Amb30627576 [0,2,0,0,0,0|1,0,0]=3 10236 B12R1.30 CCCC[C@H](N)c1ccccc1 Amb28555741 [0,2,0,0,0,0|1,0,0]=3 10237 B12R1.30 CCCC[C@H](N)c1ccccc1 Amb33276167 [0,2,0,0,0,0|1,0,0]=3 10238 B12R1.30 CCCC[C@H](O)c1ccccc1 Amb28555740 [0,2,0,0,0,0|1,0,0]=3 10239 B12R1.30 CCCNC(=N)c1ccccc1 Amb23447119 [0,2,0,0,0,0|1,0,1]=4 10240 B12R1.30 CCCNC(C)c1ccccc1 Amb6335367 [0,2,0,0,0,0|1,0,0]=3 10241 B12R1.30 CCCNC(C)c1ccccc1 Amb9726952 [0,2,0,0,0,0|1,0,0]=3 10242 B12R1.30 CCCNC(C)c1ccccn1 Amb6267689 [0,2,0,0,0,0|2,0,0]=4 10243 B12R1.30 CCCNC(C)c1cccnc1 Amb6278552 [0,2,0,0,0,0|2,0,0]=4 10244 B12R1.30 CCCNC(C)c1ccncc1 Amb6279575 [0,2,0,0,0,0|2,0,0]=4 10245 B12R1.30 CCCOC(=O)c1ccccc1 Amb6357116 [0,2,0,0,0,0|1,0,1]=4 10246 B12R1.30 CCC\C=C(\N)c1ccccc1 Amb27965051 [0,2,0,0,0,0|1,0,1]=4 10247 B12R1.30 CCC\N=C(/C)c1ccccc1 Amb17779516 [0,2,0,0,0,0|1,0,1]=4 10248 B12R1.30 CCNCC(C)c1ccccc1 Amb6729198 [0,2,0,0,0,0|1,0,0]=3 10249 B12R1.30 CCNCC(N)c1ccccc1 Amb19009737 [0,2,0,0,0,0|1,0,0]=3 10250 B12R1.30 CCNCC(O)c1ccccc1 Amb9247502 [0,2,0,0,0,0|1,0,0]=3 10251 B12R1.30 CCNCC(O)c1ccccn1 Amb17138608 [0,2,0,0,0,0|2,0,0]=4 10252 B12R1.30 CCNCC(O)c1cccnc1 Amb17138609 [0,2,0,0,0,0|2,0,0]=4 10253 B12R1.30 CCNCC(O)c1ccncc1 Amb17138610 [0,2,0,0,0,0|2,0,0]=4 10254 B12R1.30 CCOCC(=O)c1ccccc1 Amb9666077 [0,2,0,0,0,0|1,0,1]=4 10255 B12R1.30 CCOCC(N)c1ccccc1 Amb1125200 [0,2,0,0,0,0|1,0,0]=3 10256 B12R1.30 CCOC[C@@H](N)c1ccccc1 Amb17061646 [0,2,0,0,0,0|1,0,0]=3 10257 B12R1.30 CCOC[C@H](N)c1ccccc1 Amb35747248 [0,2,0,0,0,0|1,0,0]=3 10258 B12R1.30 CCOC[C@H](N)c1ccccc1 Amb35747836 [0,2,0,0,0,0|1,0,0]=3 10259 B12R1.30 CCSCC(=O)c1ccccc1 Amb2778943 [0,2,0,0,0,0|1,0,1]=4 10260 B12R1.30 CC\C=C\C(N)c1ccccc1 Amb27790820 [0,2,0,0,0,0|1,0,1]=4 10261 B12R1.30 CC\C=C\C(O)c1ccccc1 Amb22546781 [0,2,0,0,0,0|1,0,1]=4 10262 B12R1.30 CC\C=C\[C@@H](O)c1ccccc1 Amb27598606 [0,2,0,0,0,0|1,0,1]=4 10263 B12R1.30 CC\C=N\[C@H](C)c1ccccc1 Amb27852444 [0,2,0,0,0,0|1,0,1]=4 10264 B12R1.30 CN(CCC#N)c1ccccc1 Amb6357793 [0,2,0,0,0,0|1,0,1]=4 10265 B12R1.30 CN(CCCBr)c1ccccc1 Amb32664174 [0,2,0,0,0,0|1,0,0]=3 10266 B12R1.30 CN(CCCBr)c1ccccc1 Amb32664423 [0,2,0,0,0,0|1,0,0]=3 10267 B12R1.30 CN(CCCCl)c1ccccc1 Amb17335669 [0,2,0,0,0,0|1,0,0]=3 10268 B12R1.30 CN(CCCN)c1ccccc1 Amb2786601 [0,2,0,0,0,0|1,0,0]=3 10269 B12R1.30 CN(CCCN)c1ccccn1 Amb32675145 [0,2,0,0,0,0|2,0,0]=4 10270 B12R1.30 CN(CCCN)c1ccccn1 Amb6670402 [0,2,0,0,0,0|2,0,0]=4 10271 B12R1.30 CN(CCCO)c1ccccc1 Amb9246590 [0,2,0,0,0,0|0,0,0]=2 10272 B12R1.30 CN(CCON)c1ccccc1 Amb17104857 [0,2,0,0,0,0|1,0,0]=3 10273 B12R1.30 CNCCC(=O)c1ccccc1 Amb11032366 [0,2,0,0,0,0|1,0,1]=4 10274 B12R1.30 CNCCC(=O)c1ccccc1 Amb8390832 [0,2,0,0,0,0|1,0,1]=4 10275 B12R1.30 CNCCC(C)c1ccccc1 Amb5739286 [0,2,0,0,0,0|1,0,0]=3 10276 B12R1.30 CNCCC(Cl)c1ccccc1 Amb8629327 [0,2,0,0,0,0|1,0,0]=3 10277 B12R1.30 CNCCC(O)c1ccccc1 Amb3939363 [0,2,0,0,0,0|1,0,0]=3 10278 B12R1.30 CNCCN(C)c1ccccc1 Amb6715077 [0,2,0,0,0,0|2,0,0]=4 10279 B12R1.30 COCCC(=O)c1ccccc1 Amb33538573 [0,2,0,0,0,0|0,0,1]=3 10280 B12R1.30 COCCC(Cl)c1ccccc1 Amb32686938 [0,2,0,0,0,0|0,0,0]=2 10281 B12R1.30 COCCC(N)c1ccccc1 Amb34912740 [0,2,0,0,0,0|0,0,0]=2 10282 B12R1.30 COCCC(N)c1cccnc1 Amb19025773 [0,2,0,0,0,0|1,0,0]=3 10283 B12R1.30 COCCC(N)c1cccnc1 Amb29932235 [0,2,0,0,0,0|1,0,0]=3 10284 B12R1.30 COCCC(N)c1ncccn1 Amb18312940 [0,2,0,0,0,0|2,0,0]=4 10285 B12R1.30 COCCC(O)c1ccccc1 Amb18788453 [0,2,0,0,0,0|0,0,0]=2 10286 B12R1.30 COCC[C@@H](N)c1ccccc1 Amb33620965 [0,2,0,0,0,0|0,0,0]=2 10287 B12R1.30 COCC[C@@H](N)c1ccccc1 Amb33738637 [0,2,0,0,0,0|0,0,0]=2 10288 B12R1.30 CO\N=C\[C@H](O)c1ccccc1 Amb27766548 [0,2,0,0,0,0|1,0,1]=4 10289 B12R1.30 CSCCC(=O)c1ccccc1 Amb32683163 [0,2,0,0,0,0|0,1,1]=4 10290 B12R1.30 C[C@@H](CN=C=O)c1ccccc1 Amb28397289 [0,2,0,0,0,0|0,0,2]=4 10291 B12R1.30 C[C@@H](CN=C=S)c1ccccc1 Amb19892937 [0,2,0,0,0,0|0,1,1]=4 10292 B12R1.30 C[C@@H](CN=[N+]=[N-])c1ccccc1 Amb28382300 [0,2,0,0,0,0|2,0,0]=4 10293 B12R1.30 C[C@@H](NCCCl)c1ccccc1 Amb30621967 [0,2,0,0,0,0|1,0,0]=3 10294 B12R1.30 C[C@@H](NCCO)c1ccccc1 Amb2721786 [0,2,0,0,0,0|0,0,0]=2 10295 B12R1.30 C[C@H](CN=C=S)c1ccccc1 Amb19892936 [0,2,0,0,0,0|0,1,1]=4 10296 B12R1.30 C[C@H](NCC#N)c1ccccc1 Amb27413002 [0,2,0,0,0,0|1,0,1]=4 10297 B12R1.30 C[C@H](NCCO)c1ccccc1 Amb2698698 [0,2,0,0,0,0|0,0,0]=2 10298 B12R1.30 C[NH2+]CCC(O)c1ccccc1 Amb33513043 [0,2,0,0,0,0|1,0,0]=3 10299 B12R1.30 C\C(=C/CCBr)c1ccccc1 Amb17246875 [0,2,0,0,0,0|1,0,1]=4 10300 B12R1.30 C\C(=C/CCCl)c1ccccc1 Amb17233775 [0,2,0,0,0,0|1,0,1]=4 10301 B12R1.30 C\C(=C/CCN)c1ccccc1 Amb17232384 [0,2,0,0,0,0|1,0,1]=4 10302 B12R1.30 C\C(=C/CCO)c1ccccc1 Amb28421884 [0,2,0,0,0,0|0,0,1]=3 10303 B12R1.30 C\C(=C\CCN)c1ccccc1 Amb27453270 [0,2,0,0,0,0|1,0,1]=4 10304 B12R1.30 C\C(=C\CCO)c1ccccc1 Amb27840638 [0,2,0,0,0,0|0,0,1]=3 10305 B12R1.30 C\C=C/CC(N)c1ccccc1 Amb28140782 [0,2,0,0,0,0|1,0,1]=4 10306 B12R1.30 C\C=C\CC(C)c1ccccc1 Amb26891020 [0,2,0,0,0,0|1,0,1]=4 10307 B12R1.30 C\C=C\C[C@H](O)c1ccccc1 Amb28241948 [0,2,0,0,0,0|1,0,1]=4 10308 B12R1.30 C\C=N\C[C@H](O)c1ccccc1 Amb27472643 [0,2,0,0,0,0|1,0,1]=4 10309 B12R1.30 N#CCCC(=O)c1ccccc1 Amb1672449 [0,2,0,0,0,0|1,0,1]=4 10310 B12R1.30 N#CCCC(N)c1ccccc1 Amb26967002 [0,2,0,0,0,0|1,0,0]=3 10311 B12R1.30 N#CCCC(N)c1ccccc1 Amb30584969 [0,2,0,0,0,0|1,0,0]=3 10312 B12R1.30 N#CCCC(O)c1ccccc1 Amb17232364 [0,2,0,0,0,0|1,0,0]=3 10313 B12R1.30 N#CCCC(O)c1cccnc1 Amb17232405 [0,2,0,0,0,0|2,0,0]=4 10314 B12R1.30 N#CNCC(O)c1ccccc1 Amb18800628 [0,2,0,0,0,0|1,0,1]=4 10315 B12R1.30 N#CSCC(Cl)c1ccccc1 Amb27955263 [0,2,0,0,0,0|1,0,1]=4 10316 B12R1.30 N=C(NCCO)c1ccccc1 Amb26974089 [0,2,0,0,0,0|0,0,1]=3 10317 B12R1.30 NC(CCCO)c1ccccc1 Amb9783958 [0,2,0,0,0,0|0,0,0]=2 10318 B12R1.30 NCC#CC(O)c1ccccc1 Amb27484208 [0,2,0,0,0,0|1,0,1]=4 10319 B12R1.30 NCCCC(=O)c1ccccc1 Amb18623671 [0,2,0,0,0,0|1,0,0]=3 10320 B12R1.30 NCCCC(N)c1ccccn1 Amb10070102 [0,2,0,0,0,0|2,0,0]=4 10321 B12R1.30 NCCCC(N)c1cccnc1 Amb10070101 [0,2,0,0,0,0|2,0,0]=4 10322 B12R1.30 NCCCC(N)c1ccncc1 Amb10070100 [0,2,0,0,0,0|2,0,0]=4 10323 B12R1.30 NCCCC(O)c1ccccc1 Amb17079154 [0,2,0,0,0,0|1,0,0]=3 10324 B12R1.30 NCCCC(O)c1ccccc1 Amb21984517 [0,2,0,0,0,0|1,0,0]=3 10325 B12R1.30 NCCCC(O)c1ccccn1 Amb18563728 [0,2,0,0,0,0|2,0,0]=4 10326 B12R1.30 NCCCC(O)c1cccnc1 Amb17232606 [0,2,0,0,0,0|2,0,0]=4 10327 B12R1.30 NCCCC(O)c1ccncc1 Amb18563731 [0,2,0,0,0,0|2,0,0]=4 10328 B12R1.30 NCCNC(=O)c1ccccc1 Amb302802 [0,2,0,0,0,0|1,0,1]=4 10329 B12R1.30 NCCNC(=O)c1ccccc1 Amb6662646 [0,2,0,0,0,0|1,0,1]=4 10330 B12R1.30 NCCOC(=O)c1ccccc1 Amb10807731 [0,2,0,0,0,0|1,0,1]=4 10331 B12R1.30 NCCSC(=O)c1ccccc1 Amb3987898 [0,2,0,0,0,0|1,0,1]=4 10332 B12R1.30 NC\C=C\C(O)c1ccccc1 Amb26551917 [0,2,0,0,0,0|1,0,1]=4 10333 B12R1.30 N[C@@H](CCCO)c1ccccc1 Amb23440411 [0,2,0,0,0,0|0,0,0]=2 10334 B12R1.30 O=C(C#CCO)c1ccccc1 Amb22495841 [0,2,0,0,0,0|0,0,2]=4 10335 B12R1.30 O=C(CCCBr)c1ccccc1 Amb17247624 [0,2,0,0,0,0|1,0,0]=3 10336 B12R1.30 O=C(CCCCl)c1ccccc1 Amb1229841 [0,2,0,0,0,0|1,0,0]=3 10337 B12R1.30 O=C(CCCO)c1ccccc1 Amb17334609 [0,2,0,0,0,0|0,0,0]=2 10338 B12R1.30 O=C(NCCCl)c1ccccc1 Amb2414312 [0,2,0,0,0,0|1,0,1]=4 10339 B12R1.30 O=C(NCCI)c1ccccc1 Amb22753771 [0,2,0,0,0,0|1,0,1]=4 10340 B12R1.30 O=C(NCCO)c1ccccc1 Amb4318140 [0,2,0,0,0,0|0,0,1]=3 10341 B12R1.30 O=C(NCCO)c1ccccn1 Amb1951218 [0,2,0,0,0,0|1,0,1]=4 10342 B12R1.30 O=C(NCCO)c1cccnc1 Amb4061596 [0,2,0,0,0,0|1,0,1]=4 10343 B12R1.30 O=C(NCCO)c1ccncc1 Amb3939184 [0,2,0,0,0,0|1,0,1]=4 10344 B12R1.30 O=C(NCCS)c1ccccc1 Amb26616512 [0,2,0,0,0,0|0,1,1]=4 10345 B12R1.30 O=C(OCCCl)c1ccccc1 Amb385414 [0,2,0,0,0,0|1,0,1]=4 10346 B12R1.30 O=C(OCCO)c1ccccc1 Amb1110468 [0,2,0,0,0,0|0,0,1]=3 10347 B12R1.30 O=CNCC(O)c1ccccc1 Amb18792635 [0,2,0,0,0,0|0,0,2]=4 10348 B12R1.30 OC(CCCCl)c1ccccc1 Amb17194564 [0,2,0,0,0,0|1,0,0]=3 10349 B12R1.30 OC(C\C=C\Cl)c1ccccc1 Amb27419899 [0,2,0,0,0,0|1,0,1]=4 10350 B12R1.30 OC(C\C=C\F)c1ccccc1 Amb27766637 [0,2,0,0,0,0|1,0,1]=4 10351 B12R1.30 OCC#CC(O)c1ccccc1 Amb776273 [0,2,0,0,0,0|0,0,1]=3 10352 B12R1.30 OCCCC(O)c1ccccc1 Amb17334675 [0,2,0,0,0,0|0,0,0]=2 10353 B12R1.30 OCCCC(O)c1cccnc1 Amb17619700 [0,2,0,0,0,0|1,0,0]=3 10354 B12R1.30 OCC\C=C(\O)c1ccncc1 Amb27766556 [0,2,0,0,0,0|1,0,1]=4 10355 B12R1.30 OC\C=C/C(O)c1ccccc1 Amb30621777 [0,2,0,0,0,0|0,0,1]=3 10356 B12R1.30 OC\C=C\C(O)c1ccccc1 Amb25071691 [0,2,0,0,0,0|0,0,1]=3 10357 B12R1.30 OC\C=C\[C@H](O)c1ccccc1 Amb28244279 [0,2,0,0,0,0|0,0,1]=3 10358 B12R1.30 S=C(NCCCl)c1ccccc1 Amb28118876 [0,2,0,0,0,0|1,0,1]=4 10359 B12R1.30 S=C=NCC(Cl)c1ccccc1 Amb27184622 [0,2,0,0,0,0|0,1,1]=4 10360 B12R1.30 [C-]#[N+]CCC(C)c1ccccc1 Amb33081599 [0,2,0,0,0,0|1,0,0]=3 10361 B12R1.30 [N-]=[N+]=NCC(O)c1ccccc1 Amb18792465 [0,2,0,0,0,0|2,0,0]=4 10362 B12R1.30 [N-]=[N+]=NC[C@@H](O)c1ccccc1 Amb27873258 [0,2,0,0,0,0|2,0,0]=4 10363 B12R1.30 [N-]=[N+]=NC[C@H](N)c1ccccc1 Amb27859042 [0,2,0,0,0,0|2,0,0]=4 10364 B12R1.30 [N-]=[N+]=NC[C@H](O)c1ccccc1 Amb25102649 [0,2,0,0,0,0|2,0,0]=4 10365 B12R1.34 BrCC(Br)C(Br)c1ccccc1 Amb25114235 [0,2,0,0,0,0|1,0,0]=3 10366 B12R1.34 C#CC(C)C(C)c1ccccc1 Amb33081864 [0,2,0,0,0,0|1,0,1]=4 10367 B12R1.34 C#CC(C)C(N)c1ccccc1 Amb28254509 [0,2,0,0,0,0|1,0,1]=4 10368 B12R1.34 C#CC(Cl)C(O)c1ccccc1 Amb27878811 [0,2,0,0,0,0|1,0,1]=4 10369 B12R1.34 C#CC(O)C(N)c1ccccc1 Amb29875675 [0,2,0,0,0,0|1,0,1]=4 10370 B12R1.34 C#C[C@@H](C)[C@@H](O)c1ccccc1 Amb27757239 [0,2,0,0,0,0|1,0,1]=4 10371 B12R1.34 C#C[C@@H](C)[C@H](O)c1ccccc1 Amb27405268 [0,2,0,0,0,0|1,0,1]=4 10372 B12R1.34 C#C[C@@H](O)C(C)c1ccccc1 Amb29852035 [0,2,0,0,0,0|1,0,1]=4 10373 B12R1.34 C#C[C@H](C)[C@@H](O)c1ccccc1 Amb27650164 [0,2,0,0,0,0|1,0,1]=4 10374 B12R1.34 C#C[C@H](O)C(C)c1ccccc1 Amb29852036 [0,2,0,0,0,0|1,0,1]=4 10375 B12R1.34 C=C(C(=O)CO)c1ccccc1 Amb27175970 [0,2,0,0,0,0|0,0,2]=4 10376 B12R1.34 C=C(CBr)C(C)c1ccccc1 Amb33081882 [0,2,0,0,0,0|1,0,1]=4 10377 B12R1.34 C=C(CC)[C@H](O)c1ccccc1 Amb28460718 [0,2,0,0,0,0|1,0,1]=4 10378 B12R1.34 C=C(CCl)C(C)c1ccccc1 Amb33081913 [0,2,0,0,0,0|1,0,1]=4 10379 B12R1.34 C=C(CN)C(C)c1ccccc1 Amb33081877 [0,2,0,0,0,0|1,0,1]=4 10380 B12R1.34 C=C(CN)C(O)c1ccccc1 Amb28185879 [0,2,0,0,0,0|1,0,1]=4 10381 B12R1.34 C=C(CO)C(=C)c1ccccc1 Amb27432138 [0,2,0,0,0,0|0,0,2]=4 10382 B12R1.34 C=C(c1ccccc1)C(O)CC Amb27431432 [0,2,0,0,0,0|1,0,1]=4 10383 B12R1.34 C=CC(C)C(N)c1ccccc1 Amb27392398 [0,2,0,0,0,0|1,0,1]=4 10384 B12R1.34 C=CC(N)C(N)c1ccccc1 Amb27390654 [0,2,0,0,0,0|1,0,1]=4 10385 B12R1.34 C=CC(O)C(C)c1ccccc1 Amb25310831 [0,2,0,0,0,0|1,0,1]=4 10386 B12R1.34 C=C[C@@H](Cl)[C@@H](O)c1ccccc1 Amb27232990 [0,2,0,0,0,0|1,0,1]=4 10387 B12R1.34 C=C[C@@H](O)[C@H](O)c1ccccc1 Amb27615222 [0,2,0,0,0,0|1,0,1]=4 10388 B12R1.34 C=C[C@H](C)[C@@H](O)c1ccccc1 Amb25071531 [0,2,0,0,0,0|1,0,1]=4 10389 B12R1.34 C=C[C@H](N)[C@H](O)c1ccccc1 Amb27876610 [0,2,0,0,0,0|1,0,1]=4 10390 B12R1.34 C=C[C@H](O)[C@@H](C)c1ccccc1 Amb27169905 [0,2,0,0,0,0|1,0,1]=4 10391 B12R1.34 CC(C#N)C(C)c1ccccc1 Amb33081594 [0,2,0,0,0,0|1,0,1]=4 10392 B12R1.34 CC(C(=O)CCl)c1ccccc1 Amb25150842 [0,2,0,0,0,0|1,0,1]=4 10393 B12R1.34 CC(C(=O)CN)c1ccccc1 Amb24535411 [0,2,0,0,0,0|1,0,1]=4 10394 B12R1.34 CC(C(=O)CO)c1ccccc1 Amb28250155 [0,2,0,0,0,0|0,0,1]=3 10395 B12R1.34 CC(C=O)C(C)c1ccccc1 Amb24065337 [0,2,0,0,0,0|0,0,2]=4 10396 B12R1.34 CC(C=O)C(O)c1ccccc1 Amb28397488 [0,2,0,0,0,0|0,0,2]=4 10397 B12R1.34 CC(CBr)C(C)c1ccccc1 Amb33081859 [0,2,0,0,0,0|1,0,0]=3 10398 B12R1.34 CC(CCl)C(=O)c1ccccc1 Amb4006275 [0,2,0,0,0,0|1,0,1]=4 10399 B12R1.34 CC(CCl)C(C)c1ccccc1 Amb27592178 [0,2,0,0,0,0|1,0,0]=3 10400 B12R1.34 CC(CN)C(C)c1ccccc1 Amb18829124 [0,2,0,0,0,0|1,0,0]=3 10401 B12R1.34 CC(CN)C(C)c1cccnc1 Amb18828712 [0,2,0,0,0,0|2,0,0]=4 10402 B12R1.34 CC(CN)C(F)c1ccccc1 Amb28048144 [0,2,0,0,0,0|1,0,0]=3 10403 B12R1.34 CC(CN)C(F)c1cccnc1 Amb28241615 [0,2,0,0,0,0|2,0,0]=4 10404 B12R1.34 CC(CN)C(N)c1ccccc1 Amb28066263 [0,2,0,0,0,0|1,0,0]=3 10405 B12R1.34 CC(CN)C(O)c1ccccc1 Amb18646366 [0,2,0,0,0,0|1,0,0]=3 10406 B12R1.34 CC(CN)C(O)c1ccccn1 Amb25380785 [0,2,0,0,0,0|2,0,0]=4 10407 B12R1.34 CC(CN)C(O)c1cccnc1 Amb25762523 [0,2,0,0,0,0|2,0,0]=4 10408 B12R1.34 CC(CN)C(O)c1ccncc1 Amb26933547 [0,2,0,0,0,0|2,0,0]=4 10409 B12R1.34 CC(CN)N(C)c1ccccc1 Amb1128364 [0,2,0,0,0,0|2,0,0]=4 10410 B12R1.34 CC(CN)N(C)c1ccccc1 Amb13949221 [0,2,0,0,0,0|2,0,0]=4 10411 B12R1.34 CC(CO)C(=O)c1ccccc1 Amb8392341 [0,2,0,0,0,0|0,0,1]=3 10412 B12R1.34 CC(CO)C(C)c1ccccc1 Amb26375616 [0,2,0,0,0,0|0,0,0]=2 10413 B12R1.34 CC(CO)C(C)c1cccnc1 Amb33745857 [0,2,0,0,0,0|1,0,0]=3 10414 B12R1.34 CC(CO)C(O)c1ccccn1 Amb27835987 [0,2,0,0,0,0|1,0,0]=3 10415 B12R1.34 CC(CO)N(O)c1ccccc1 Amb28065271 [0,2,0,0,0,0|1,0,0]=3 10416 B12R1.34 CC(CO)[C@H](C)c1ccccc1 Amb28207416 [0,2,0,0,0,0|0,0,0]=2 10417 B12R1.34 CC(NN)C(O)c1ccccc1 Amb27867037 [0,2,0,0,0,0|2,0,0]=4 10418 B12R1.34 CC(ON)C(C)c1ccccc1 Amb33081868 [0,2,0,0,0,0|2,0,0]=4 10419 B12R1.34 CC(\C(Cl)=N\O)c1ccccc1 Amb27163553 [0,2,0,0,0,0|1,0,1]=4 10420 B12R1.34 CC(\C(N)=N\O)c1ccccc1 Amb24595995 [0,2,0,0,0,0|1,0,1]=4 10421 B12R1.34 CC(c1ccccc1)C(Br)C#N Amb26043284 [0,2,0,0,0,0|1,0,1]=4 10422 B12R1.34 CC(c1ccccc1)C(Cl)C#N Amb18791080 [0,2,0,0,0,0|1,0,1]=4 10423 B12R1.34 CC(c1ccccc1)C(Cl)C=O Amb18648719 [0,2,0,0,0,0|0,0,2]=4 10424 B12R1.34 CC(c1ccccc1)C(F)C=O Amb27413171 [0,2,0,0,0,0|0,0,2]=4 10425 B12R1.34 CC(c1ccccc1)C(F)CN Amb33082393 [0,2,0,0,0,0|1,0,0]=3 10426 B12R1.34 CC(c1ccccc1)C(N)C#N Amb18953074 [0,2,0,0,0,0|1,0,1]=4 10427 B12R1.34 CC(c1ccccc1)C(N)CN Amb18972125 [0,2,0,0,0,0|1,0,0]=3 10428 B12R1.34 CC(c1ccccc1)C(N)CN Amb33537059 [0,2,0,0,0,0|1,0,0]=3 10429 B12R1.34 CC(c1ccccc1)C(N)CO Amb18975503 [0,2,0,0,0,0|0,0,0]=2 10430 B12R1.34 CC(c1ccccc1)C(N)CO Amb19349648 [0,2,0,0,0,0|0,0,0]=2 10431 B12R1.34 CC(c1ccccc1)C(O)CBr Amb33081873 [0,2,0,0,0,0|1,0,0]=3 10432 B12R1.34 CC(c1ccccc1)C(O)CCl Amb33081872 [0,2,0,0,0,0|1,0,0]=3 10433 B12R1.34 CC(c1ccccc1)C(O)CF Amb27416766 [0,2,0,0,0,0|1,0,0]=3 10434 B12R1.34 CC(c1ccccc1)C(O)CN Amb17232553 [0,2,0,0,0,0|1,0,0]=3 10435 B12R1.34 CC(c1ccccc1)C(O)CO Amb26021855 [0,2,0,0,0,0|0,0,0]=2 10436 B12R1.34 CC(c1ccccc1)[C@@H](C)CN Amb33738459 [0,2,0,0,0,0|1,0,0]=3 10437 B12R1.34 CC(c1ccccc1)[C@@H](C)CO Amb33746406 [0,2,0,0,0,0|0,0,0]=2 10438 B12R1.34 CC(c1ccccc1)[C@@H](N)CO Amb33081836 [0,2,0,0,0,0|0,0,0]=2 10439 B12R1.34 CC(c1ccccc1)[C@@H](O)CN Amb33081825 [0,2,0,0,0,0|1,0,0]=3 10440 B12R1.34 CC(c1ccccc1)[C@H](C)CN Amb33746913 [0,2,0,0,0,0|1,0,0]=3 10441 B12R1.34 CC(c1ccccc1)[C@H](C)CO Amb33727265 [0,2,0,0,0,0|0,0,0]=2 10442 B12R1.34 CC(c1ccccc1)[C@H](N)CO Amb33081833 [0,2,0,0,0,0|0,0,0]=2 10443 B12R1.34 CC(c1ccccc1)[C@H](O)CN Amb33081831 [0,2,0,0,0,0|1,0,0]=3 10444 B12R1.34 CC(c1cccnc1)[C@@H](C)CN Amb33744945 [0,2,0,0,0,0|2,0,0]=4 10445 B12R1.34 CC(c1cccnc1)[C@@H](C)CO Amb33736432 [0,2,0,0,0,0|1,0,0]=3 10446 B12R1.34 CC(c1cccnc1)[C@H](C)CN Amb33730038 [0,2,0,0,0,0|2,0,0]=4 10447 B12R1.34 CC(c1cccnc1)[C@H](C)CO Amb33743120 [0,2,0,0,0,0|1,0,0]=3 10448 B12R1.34 CCC(=O)C(Br)c1ccccc1 Amb17596238 [0,2,0,0,0,0|1,0,1]=4 10449 B12R1.34 CCC(=O)C(C)c1ccccc1 Amb3940841 [0,2,0,0,0,0|1,0,1]=4 10450 B12R1.34 CCC(=O)C(Cl)c1ccccc1 Amb27477956 [0,2,0,0,0,0|1,0,1]=4 10451 B12R1.34 CCC(=O)C(F)c1ccccc1 Amb27668940 [0,2,0,0,0,0|1,0,1]=4 10452 B12R1.34 CCC(=O)C(N)c1ccccc1 Amb27244834 [0,2,0,0,0,0|1,0,1]=4 10453 B12R1.34 CCC(=O)C(O)c1ccccc1 Amb28201072 [0,2,0,0,0,0|1,0,1]=4 10454 B12R1.34 CCC(Br)C(=O)c1ccccc1 Amb6673863 [0,2,0,0,0,0|1,0,1]=4 10455 B12R1.34 CCC(Br)C(C)c1ccncc1 Amb28399518 [0,2,0,0,0,0|2,0,0]=4 10456 B12R1.34 CCC(C)C(=O)c1ccccc1 Amb8850439 [0,2,0,0,0,0|1,0,1]=4 10457 B12R1.34 CCC(C)C(N)c1ccccc1 Amb30628584 [0,2,0,0,0,0|1,0,0]=3 10458 B12R1.34 CCC(C)C(N)c1cccnc1 Amb27804504 [0,2,0,0,0,0|2,0,0]=4 10459 B12R1.34 CCC(C)[C@@H](N)c1ccccn1 Amb28140785 [0,2,0,0,0,0|2,0,0]=4 10460 B12R1.34 CCC(C)[C@H](N)c1ccccc1 Amb27430422 [0,2,0,0,0,0|1,0,0]=3 10461 B12R1.34 CCC(Cl)C(=O)c1ccccc1 Amb19074252 [0,2,0,0,0,0|1,0,1]=4 10462 B12R1.34 CCC(Cl)C(C)c1ccccn1 Amb27776061 [0,2,0,0,0,0|2,0,0]=4 10463 B12R1.34 CCC(F)C(=O)c1ccccc1 Amb26600904 [0,2,0,0,0,0|1,0,1]=4 10464 B12R1.34 CCC(N)C(=O)c1ccccc1 Amb17138555 [0,2,0,0,0,0|1,0,1]=4 10465 B12R1.34 CCC(N)C(=O)c1ccccc1 Amb22549075 [0,2,0,0,0,0|1,0,1]=4 10466 B12R1.34 CCC(N)C(C)c1ccccc1 Amb18829127 [0,2,0,0,0,0|1,0,0]=3 10467 B12R1.34 CCC(N)C(C)c1ccccc1 Amb20623710 [0,2,0,0,0,0|1,0,0]=3 10468 B12R1.34 CCC(N)C(O)c1ccccc1 Amb19373101 [0,2,0,0,0,0|1,0,0]=3 10469 B12R1.34 CCC(N)C(O)c1ccccc1 Amb9428998 [0,2,0,0,0,0|1,0,0]=3 10470 B12R1.34 CCC(N)C(O)c1cccnc1 Amb9429025 [0,2,0,0,0,0|2,0,0]=4 10471 B12R1.34 CCC(O)C(=O)c1ccccc1 Amb18800792 [0,2,0,0,0,0|1,0,1]=4 10472 B12R1.34 CCC(O)C(C)c1ccncc1 Amb27647403 [0,2,0,0,0,0|2,0,0]=4 10473 B12R1.34 CCC(O)C(N)c1ccccn1 Amb27857528 [0,2,0,0,0,0|2,0,0]=4 10474 B12R1.34 CCC(O)C(N)c1ccncc1 Amb27763667 [0,2,0,0,0,0|2,0,0]=4 10475 B12R1.34 CCC(O)C(O)c1ccccc1 Amb27163573 [0,2,0,0,0,0|1,0,0]=3 10476 B12R1.34 CCC(O)[C@H](C)c1ccccc1 Amb27981671 [0,2,0,0,0,0|1,0,0]=3 10477 B12R1.34 CCS(=O)C(C)c1ccccc1 Amb28063578 [0,2,0,0,0,0|2,0,0]=4 10478 B12R1.34 CC[C@@H](C)[C@H](O)c1ccccc1 Amb28321457 [0,2,0,0,0,0|1,0,0]=3 10479 B12R1.34 CC[C@@H](N)C(C)c1ccccc1 Amb29867804 [0,2,0,0,0,0|1,0,0]=3 10480 B12R1.34 CC[C@@H](N)C(O)c1ccccc1 Amb35602701 [0,2,0,0,0,0|1,0,0]=3 10481 B12R1.34 CC[C@@H](N)C(O)c1cccnc1 Amb35602697 [0,2,0,0,0,0|2,0,0]=4 10482 B12R1.34 CC[C@@H](N)[C@@H](O)c1ccccc1 Amb27760494 [0,2,0,0,0,0|1,0,0]=3 10483 B12R1.34 CC[C@@H](N)[C@@H](O)c1cccnc1 Amb27626980 [0,2,0,0,0,0|2,0,0]=4 10484 B12R1.34 CC[C@@H](N)[C@H](O)c1ccncc1 Amb27233986 [0,2,0,0,0,0|2,0,0]=4 10485 B12R1.34 CC[C@@H](O)C(C)c1ccccc1 Amb29852038 [0,2,0,0,0,0|1,0,0]=3 10486 B12R1.34 CC[C@@H](O)[C@@H](C)c1ccccc1 Amb27766563 [0,2,0,0,0,0|1,0,0]=3 10487 B12R1.34 CC[C@@H](O)[C@@H](O)c1ccccc1 Amb28293390 [0,2,0,0,0,0|1,0,0]=3 10488 B12R1.34 CC[C@@H](O)[C@H](O)c1ccccc1 Amb27835137 [0,2,0,0,0,0|1,0,0]=3 10489 B12R1.34 CC[C@H](N)C(C)c1ccccc1 Amb29867785 [0,2,0,0,0,0|1,0,0]=3 10490 B12R1.34 CC[C@H](N)C(O)c1ccccc1 Amb35601261 [0,2,0,0,0,0|1,0,0]=3 10491 B12R1.34 CC[C@H](N)C(O)c1cccnc1 Amb35601299 [0,2,0,0,0,0|2,0,0]=4 10492 B12R1.34 CC[C@H](N)[C@@H](N)c1cccnc1 Amb27489089 [0,2,0,0,0,0|2,0,0]=4 10493 B12R1.34 CC[C@H](N)[C@@H](O)c1cccnc1 Amb27776956 [0,2,0,0,0,0|2,0,0]=4 10494 B12R1.34 CC[C@H](N)[C@H](O)c1ccccc1 Amb28121117 [0,2,0,0,0,0|1,0,0]=3 10495 B12R1.34 CC[C@H](O)C(C)c1ccccc1 Amb29852039 [0,2,0,0,0,0|1,0,0]=3 10496 B12R1.34 CC[C@H](O)[C@H](N)c1ccccc1 Amb28292456 [0,2,0,0,0,0|1,0,0]=3 10497 B12R1.34 CC[C@H](O)[C@H](O)c1ccccc1 Amb27835888 [0,2,0,0,0,0|1,0,0]=3 10498 B12R1.34 CN(C(=O)CO)c1ccccc1 Amb5798072 [0,2,0,0,0,0|1,0,1]=4 10499 B12R1.34 CNC(C)C(C)c1ccccc1 Amb18645936 [0,2,0,0,0,0|2,0,0]=4 10500 B12R1.34 CNC(C)C(C)c1ccccc1 Amb33276248 [0,2,0,0,0,0|2,0,0]=4 10501 B12R1.34 CNC(C)C(F)c1ccccc1 Amb27392376 [0,2,0,0,0,0|2,0,0]=4 10502 B12R1.34 CNC(C)C(O)c1ccccc1 Amb8629224 [0,2,0,0,0,0|2,0,0]=4 10503 B12R1.34 CN[C@@H](C)[C@@H](F)c1ccccc1 Amb27400552 [0,2,0,0,0,0|2,0,0]=4 10504 B12R1.34 CN[C@@H](C)[C@@H](O)c1ccccc1 Amb533737 [0,2,0,0,0,0|2,0,0]=4 10505 B12R1.34 CN[C@@H](C)[C@H](F)c1ccccc1 Amb27441123 [0,2,0,0,0,0|2,0,0]=4 10506 B12R1.34 CN[C@@H](C)[C@H](O)c1ccccc1 Amb3939358 [0,2,0,0,0,0|2,0,0]=4 10507 B12R1.34 CN[C@@H](O)[C@@H](O)c1ccccc1 Amb27190916 [0,2,0,0,0,0|2,0,0]=4 10508 B12R1.34 CN[C@H](C)[C@@H](F)c1ccccc1 Amb27393978 [0,2,0,0,0,0|2,0,0]=4 10509 B12R1.34 CN[C@H](C)[C@H](Cl)c1ccccc1 Amb28184716 [0,2,0,0,0,0|2,0,0]=4 10510 B12R1.34 CN[C@H](C)[C@H](O)c1ccccc1 Amb19133732 [0,2,0,0,0,0|2,0,0]=4 10511 B12R1.34 CN[C@H](C)[C@H](O)c1ccccc1 Amb3939359 [0,2,0,0,0,0|2,0,0]=4 10512 B12R1.34 CN[C@H](C)[C@H](S)c1ccccc1 Amb27430364 [0,2,0,0,0,0|2,0,0]=4 10513 B12R1.34 COC(N)C(O)c1ccccc1 Amb28397502 [0,2,0,0,0,0|2,0,0]=4 10514 B12R1.34 COC(O)[C@@H](N)c1ccccc1 Amb27625851 [0,2,0,0,0,0|2,0,0]=4 10515 B12R1.34 CO[C@@H](C)[C@@H](O)c1ccccc1 Amb27615564 [0,2,0,0,0,0|2,0,0]=4 10516 B12R1.34 C[C@@H](C#N)[C@@H](O)c1ccccc1 Amb27757193 [0,2,0,0,0,0|1,0,1]=4 10517 B12R1.34 C[C@@H](CO)C(=O)c1ccccc1 Amb27599400 [0,2,0,0,0,0|0,0,1]=3 10518 B12R1.34 C[C@@H](CO)N(O)c1ccccc1 Amb28188881 [0,2,0,0,0,0|1,0,0]=3 10519 B12R1.34 C[C@@H](CO)[C@@H](C)c1ccccc1 Amb27178556 [0,2,0,0,0,0|0,0,0]=2 10520 B12R1.34 C[C@@H](NO)[C@@H](O)c1ccccc1 Amb27770879 [0,2,0,0,0,0|1,0,0]=3 10521 B12R1.34 C[C@@H](c1ccccc1)[C@@H](O)CO Amb27763660 [0,2,0,0,0,0|0,0,0]=2 10522 B12R1.34 C[C@@H](c1ccccc1)[C@H](F)CO Amb27770738 [0,2,0,0,0,0|0,0,0]=2 10523 B12R1.34 C[C@H](C#N)[C@@H](O)c1ccccc1 Amb27170255 [0,2,0,0,0,0|1,0,1]=4 10524 B12R1.34 C[C@H](C=O)[C@@H](C)c1ccccc1 Amb28243965 [0,2,0,0,0,0|0,0,2]=4 10525 B12R1.34 C[C@H](C=O)[C@H](O)c1ccccc1 Amb27873253 [0,2,0,0,0,0|0,0,2]=4 10526 B12R1.34 C[C@H](CO)C(N)c1ccccc1 Amb27614720 [0,2,0,0,0,0|0,0,0]=2 10527 B12R1.34 C[C@H](NN)[C@@H](O)c1ccccc1 Amb27662181 [0,2,0,0,0,0|2,0,0]=4 10528 B12R1.34 C[C@H](NO)[C@@H](O)c1ccccc1 Amb28242677 [0,2,0,0,0,0|1,0,0]=3 10529 B12R1.34 C[C@H](c1ccccc1)[C@@H](C)C=O Amb27193040 [0,2,0,0,0,0|0,0,2]=4 10530 B12R1.34 C[C@H](c1ccccc1)[C@H](F)CO Amb27766616 [0,2,0,0,0,0|0,0,0]=2 10531 B12R1.34 C[C@H](c1ccccc1)[C@H](O)C#N Amb27484775 [0,2,0,0,0,0|1,0,1]=4 10532 B12R1.34 C\C(=N\O)C(Cl)c1ccccc1 Amb28436906 [0,2,0,0,0,0|1,0,1]=4 10533 B12R1.34 C\C(=N\O)[C@H](O)c1ccccc1 Amb28246601 [0,2,0,0,0,0|1,0,1]=4 10534 B12R1.34 N#CC(Br)C(Br)c1ccccc1 Amb4012475 [0,2,0,0,0,0|1,0,1]=4 10535 B12R1.34 N#CC(O)C(F)c1ccccc1 Amb25320704 [0,2,0,0,0,0|1,0,1]=4 10536 B12R1.34 N#CC(O)C(O)c1ccccc1 Amb27829928 [0,2,0,0,0,0|1,0,1]=4 10537 B12R1.34 N#CC(O)[C@@H](N)c1ccccc1 Amb27400526 [0,2,0,0,0,0|1,0,1]=4 10538 B12R1.34 N#C[C@@H](O)[C@@H](F)c1ccccc1 Amb27835111 [0,2,0,0,0,0|1,0,1]=4 10539 B12R1.34 N#C[C@@H](O)[C@@H](O)c1ccccc1 Amb27651908 [0,2,0,0,0,0|1,0,1]=4 10540 B12R1.34 N#C[C@H](N)[C@@H](F)c1ccccc1 Amb28135510 [0,2,0,0,0,0|1,0,1]=4 10541 B12R1.34 NC(C(=O)NO)c1ccccc1 Amb2430893 [0,2,0,0,0,0|1,0,1]=4 10542 B12R1.34 NC(CO)C(N)c1ccccc1 Amb27430428 [0,2,0,0,0,0|0,0,0]=2 10543 B12R1.34 NC(CO)C(O)c1ccccc1 Amb4034588 [0,2,0,0,0,0|0,0,0]=2 10544 B12R1.34 NC(CO)C(O)c1ccccn1 Amb25736521 [0,2,0,0,0,0|1,0,0]=3 10545 B12R1.34 NC(CO)C(O)c1ccccn1 Amb30584998 [0,2,0,0,0,0|1,0,0]=3 10546 B12R1.34 NC(CO)C(O)c1cccnc1 Amb18826621 [0,2,0,0,0,0|1,0,0]=3 10547 B12R1.34 NC(CO)C(O)c1cccnc1 Amb32655984 [0,2,0,0,0,0|1,0,0]=3 10548 B12R1.34 NC(CO)C(O)c1ccncc1 Amb26322233 [0,2,0,0,0,0|1,0,0]=3 10549 B12R1.34 NC(CO)C(O)c1ccncc1 Amb30584999 [0,2,0,0,0,0|1,0,0]=3 10550 B12R1.34 NC(CO)C(O)c1ccncn1 Amb27591362 [0,2,0,0,0,0|2,0,0]=4 10551 B12R1.34 NC(CO)C(O)c1cnccn1 Amb35602981 [0,2,0,0,0,0|2,0,0]=4 10552 B12R1.34 NC(CO)C(O)c1cncnc1 Amb27491220 [0,2,0,0,0,0|2,0,0]=4 10553 B12R1.34 NC(c1ccccc1)C(O)CO Amb18646773 [0,2,0,0,0,0|0,0,0]=2 10554 B12R1.34 NCC(O)C(O)c1ccccc1 Amb19148004 [0,2,0,0,0,0|1,0,0]=3 10555 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 Amb6298328 [0,2,0,0,0,0|0,0,0]=2 10556 B12R1.34 N[C@H](C(=O)NO)c1ccccc1 Amb27236809 [0,2,0,0,0,0|1,0,1]=4 10557 B12R1.34 N[C@H](CO)[C@@H](Cl)c1ccccc1 Amb27791780 [0,2,0,0,0,0|0,0,0]=2 10558 B12R1.34 N[C@H](CO)[C@H](O)c1ccccc1 Amb8515836 [0,2,0,0,0,0|0,0,0]=2 10559 B12R1.34 N[C@H](c1ccccc1)[C@H](O)CO Amb27430365 [0,2,0,0,0,0|0,0,0]=2 10560 B12R1.34 N\C(=N/O)C(N)c1ccccc1 Amb26342170 [0,2,0,0,0,0|1,0,1]=4 10561 B12R1.34 N\C(=N/O)C(O)c1ccccc1 Amb6371814 [0,2,0,0,0,0|1,0,1]=4 10562 B12R1.34 N\C(=N\O)C(O)c1ccccc1 Amb22052910 [0,2,0,0,0,0|1,0,1]=4 10563 B12R1.34 O=C(CCl)C(O)c1ccccc1 Amb27165696 [0,2,0,0,0,0|1,0,1]=4 10564 B12R1.34 O=C(CO)C(=O)c1ccccc1 Amb27178026 [0,2,0,0,0,0|0,0,2]=4 10565 B12R1.34 O=C(CO)C(O)c1ccccn1 Amb27954169 [0,2,0,0,0,0|1,0,1]=4 10566 B12R1.34 O=C(CO)N(O)c1ccccc1 Amb27588913 [0,2,0,0,0,0|1,0,1]=4 10567 B12R1.34 O=C(c1ccccc1)C(Br)CCl Amb17351480 [0,2,0,0,0,0|1,0,1]=4 10568 B12R1.34 O=C(c1ccccc1)C(Cl)CCl Amb17337895 [0,2,0,0,0,0|1,0,1]=4 10569 B12R1.34 O=C(c1ccccc1)C(F)CCl Amb28396582 [0,2,0,0,0,0|1,0,1]=4 10570 B12R1.34 O=C(c1ccccc1)C(O)CO Amb27175820 [0,2,0,0,0,0|0,0,1]=3 10571 B12R1.34 O=C(c1ccccc1)[C@H](O)CO Amb27227037 [0,2,0,0,0,0|0,0,1]=3 10572 B12R1.34 O=CC(Cl)C(O)c1ccccc1 Amb27407093 [0,2,0,0,0,0|0,0,2]=4 10573 B12R1.34 O=C[C@@H](O)[C@H](O)c1ccccc1 Amb27390110 [0,2,0,0,0,0|0,0,2]=4 10574 B12R1.34 OC(CCl)C(F)c1ccccc1 Amb28343186 [0,2,0,0,0,0|1,0,0]=3 10575 B12R1.34 OC(CF)C(F)c1ccccc1 Amb28127891 [0,2,0,0,0,0|1,0,0]=3 10576 B12R1.34 OC(c1ccccc1)C(Cl)CCl Amb27623177 [0,2,0,0,0,0|1,0,0]=3 10577 B12R1.34 OCC(Br)C(Br)c1ccccc1 Amb27393982 [0,2,0,0,0,0|0,0,0]=2 10578 B12R1.34 OC[C@@H](Cl)[C@@H](O)c1ccccc1 Amb27983838 [0,2,0,0,0,0|0,0,0]=2 10579 B12R1.34 OC[C@@H](O)[C@@H](O)c1ccccc1 Amb28244272 [0,2,0,0,0,0|0,0,0]=2 10580 B12R1.34 OC[C@@H](O)[C@H](O)c1ccccc1 Amb24496901 [0,2,0,0,0,0|0,0,0]=2 10581 B12R1.34 OC[C@H](O)[C@H](Cl)c1ccccc1 Amb27231781 [0,2,0,0,0,0|0,0,0]=2 10582 B12R1.34 OC\C(F)=C(\F)c1ccccc1 Amb27426618 [0,2,0,0,0,0|0,0,2]=4 10583 B12R1.34 O[C@@H](CCl)[C@@H](F)c1ccccc1 Amb28343033 [0,2,0,0,0,0|1,0,0]=3 10584 B12R1.34 O[C@@H](CF)[C@H](F)c1ccccc1 Amb27255180 [0,2,0,0,0,0|1,0,0]=3 10585 B12R1.34 O[C@H](CCl)[C@H](O)c1ccccc1 Amb27657548 [0,2,0,0,0,0|1,0,0]=3 10586 B12R1.34 [BH3-]NC(C)C(O)c1ccccc1 Amb28193544 [0,2,0,0,0,0|2,0,0]=4 10587 B12R1.34 [C-]#[N+]C(C)C(C)c1ccccc1 Amb33081598 [0,2,0,0,0,0|2,0,0]=4 10588 B12R1.34 [NH3+]C(CO)C(O)c1ccccc1 Amb33513059 [0,2,0,0,0,0|0,0,0]=2 10589 B12R1.39 B[P](C)(CCO)c1ccccc1 Amb27770875 [0,2,0,0,0,0|1,0,0]=3 10590 B12R1.39 C#CCC(C)(C)c1ccccc1 Amb33175838 [0,2,0,0,0,0|1,0,1]=4 10591 B12R1.39 C#CCC(C)(N)c1ccccc1 Amb35678351 [0,2,0,0,0,0|1,0,1]=4 10592 B12R1.39 C#CCC(C)(O)c1ccccc1 Amb25987029 [0,2,0,0,0,0|1,0,1]=4 10593 B12R1.39 C#CCC(F)(F)c1ccccc1 Amb33082223 [0,2,0,0,0,0|1,0,1]=4 10594 B12R1.39 C=CCC(C)(N)c1ccccc1 Amb28290415 [0,2,0,0,0,0|1,0,1]=4 10595 B12R1.39 C=CCC(C)(O)c1ccccc1 Amb4035093 [0,2,0,0,0,0|1,0,1]=4 10596 B12R1.39 CC(C)(CC#N)c1ccccc1 Amb18645224 [0,2,0,0,0,0|1,0,1]=4 10597 B12R1.39 CC(C)(CC=O)c1ccccc1 Amb18645712 [0,2,0,0,0,0|0,0,2]=4 10598 B12R1.39 CC(C)(CCBr)c1ccccc1 Amb25726868 [0,2,0,0,0,0|1,0,0]=3 10599 B12R1.39 CC(C)(CCCl)c1ccccc1 Amb27425237 [0,2,0,0,0,0|1,0,0]=3 10600 B12R1.39 CC(C)(CCN)c1ccccc1 Amb6740021 [0,2,0,0,0,0|1,0,0]=3 10601 B12R1.39 CC(C)(CCN)c1ccccn1 Amb26595541 [0,2,0,0,0,0|2,0,0]=4 10602 B12R1.39 CC(C)(CCN)c1cccnc1 Amb26399514 [0,2,0,0,0,0|2,0,0]=4 10603 B12R1.39 CC(C)(CCN)c1ccncc1 Amb25911787 [0,2,0,0,0,0|2,0,0]=4 10604 B12R1.39 CC(C)(CCO)c1ccccc1 Amb23440831 [0,2,0,0,0,0|0,0,0]=2 10605 B12R1.39 CC(C)(CCO)c1ccncc1 Amb27456693 [0,2,0,0,0,0|1,0,0]=3 10606 B12R1.39 CC(C)(CCS)c1ccccc1 Amb33176152 [0,2,0,0,0,0|0,1,0]=3 10607 B12R1.39 CC(C)(CNN)c1ccccc1 Amb6250005 [0,2,0,0,0,0|2,0,0]=4 10608 B12R1.39 CC(C)(CNO)c1ccccc1 Amb33475500 [0,2,0,0,0,0|1,0,0]=3 10609 B12R1.39 CC(C)(CON)c1ccccc1 Amb32953309 [0,2,0,0,0,0|2,0,0]=4 10610 B12R1.39 CC(N)(CC#N)c1ccccc1 Amb27792007 [0,2,0,0,0,0|1,0,1]=4 10611 B12R1.39 CC(N)(CCF)c1ccccc1 Amb35711305 [0,2,0,0,0,0|1,0,0]=3 10612 B12R1.39 CC(N)(CCO)c1ccccc1 Amb18862633 [0,2,0,0,0,0|0,0,0]=2 10613 B12R1.39 CC(O)(CC#N)c1ccccc1 Amb4405874 [0,2,0,0,0,0|1,0,1]=4 10614 B12R1.39 CC(O)(CCN)c1ccccc1 Amb17594116 [0,2,0,0,0,0|1,0,0]=3 10615 B12R1.39 CC(O)(CCN)c1ccccn1 Amb18827673 [0,2,0,0,0,0|2,0,0]=4 10616 B12R1.39 CC(O)(CCN)c1cccnc1 Amb18827674 [0,2,0,0,0,0|2,0,0]=4 10617 B12R1.39 CC(O)(CCN)c1ccncc1 Amb18827672 [0,2,0,0,0,0|2,0,0]=4 10618 B12R1.39 CC(O)(CNN)c1ccccc1 Amb17232616 [0,2,0,0,0,0|2,0,0]=4 10619 B12R1.39 CCCC(C)(C)c1ccccc1 Amb27231101 [0,2,0,0,0,0|1,0,0]=3 10620 B12R1.39 CCCC(C)(N)c1ccccc1 Amb9676775 [0,2,0,0,0,0|1,0,0]=3 10621 B12R1.39 CCCC(C)(O)c1ccccc1 Amb4019246 [0,2,0,0,0,0|1,0,0]=3 10622 B12R1.39 CCCC(C)(O)c1ccccn1 Amb28455870 [0,2,0,0,0,0|2,0,0]=4 10623 B12R1.39 CCCC(C)(O)c1cccnc1 Amb27979710 [0,2,0,0,0,0|2,0,0]=4 10624 B12R1.39 CCCS(=O)(=O)c1ccccc1 Amb24485446 [0,2,0,0,0,0|2,0,0]=4 10625 B12R1.39 CCSC(C)(C)c1ccccc1 Amb28349658 [0,2,0,0,0,0|2,0,0]=4 10626 B12R1.39 CNCC(C)(C)c1ccccc1 Amb9214715 [0,2,0,0,0,0|2,0,0]=4 10627 B12R1.39 CNCC(C)(O)c1ccccc1 Amb5751082 [0,2,0,0,0,0|2,0,0]=4 10628 B12R1.39 CNCC(F)(F)c1ccccc1 Amb27251609 [0,2,0,0,0,0|2,0,0]=4 10629 B12R1.39 COCC(C)(N)c1ccccc1 Amb18992592 [0,2,0,0,0,0|2,0,0]=4 10630 B12R1.39 COCC(C)(O)c1ccccc1 Amb18801043 [0,2,0,0,0,0|2,0,0]=4 10631 B12R1.39 CSCC(C)(O)c1ccccc1 Amb19061286 [0,2,0,0,0,0|2,0,0]=4 10632 B12R1.39 C[C@@](O)(CCO)c1ccccc1 Amb27179357 [0,2,0,0,0,0|0,0,0]=2 10633 B12R1.39 C[C@](O)(CC=O)c1ccccc1 Amb27855035 [0,2,0,0,0,0|0,0,2]=4 10634 B12R1.39 C[NH2+]CC(C)(O)c1ccccc1 Amb4282803 [0,2,0,0,0,0|2,0,0]=4 10635 B12R1.39 C[Si](C)(CCN)c1ccccc1 Amb27480080 [0,2,0,0,0,0|1,1,0]=4 10636 B12R1.39 FC(F)(CCBr)c1ccccc1 Amb33082218 [0,2,0,0,0,0|1,0,0]=3 10637 B12R1.39 FC(F)(CCBr)c1ccncc1 Amb33218096 [0,2,0,0,0,0|2,0,0]=4 10638 B12R1.39 FC(F)(CCCl)c1ccccc1 Amb27222842 [0,2,0,0,0,0|1,0,0]=3 10639 B12R1.39 FC(F)(CCS)c1ccccc1 Amb33082515 [0,2,0,0,0,0|0,1,0]=3 10640 B12R1.39 N#CCC(F)(F)c1ccccc1 Amb25070879 [0,2,0,0,0,0|1,0,1]=4 10641 B12R1.39 N=S(=O)(CCO)c1ccccc1 Amb27433169 [0,2,0,0,0,0|1,0,0]=3 10642 B12R1.39 NCCC(F)(F)c1ccccc1 Amb27249550 [0,2,0,0,0,0|1,0,0]=3 10643 B12R1.39 NCCC(F)(F)c1ccccn1 Amb25159830 [0,2,0,0,0,0|2,0,0]=4 10644 B12R1.39 NCCC(F)(F)c1cccnc1 Amb24554774 [0,2,0,0,0,0|2,0,0]=4 10645 B12R1.39 NCCC(F)(F)c1ccncc1 Amb26641036 [0,2,0,0,0,0|2,0,0]=4 10646 B12R1.39 NCCP(=O)(O)c1ccccc1 Amb28343056 [0,2,0,0,0,0|2,0,0]=4 10647 B12R1.39 NCCS(=O)(=O)c1ccccc1 Amb5716090 [0,2,0,0,0,0|2,0,0]=4 10648 B12R1.39 NCCS(=O)(=O)c1ccccc1 Amb5742909 [0,2,0,0,0,0|2,0,0]=4 10649 B12R1.39 NNCC(F)(F)c1ccccc1 Amb25692683 [0,2,0,0,0,0|2,0,0]=4 10650 B12R1.39 NOCC(F)(F)c1ccccc1 Amb25842068 [0,2,0,0,0,0|2,0,0]=4 10651 B12R1.39 N[C@@](O)(CCO)c1ccccc1 Amb28064120 [0,2,0,0,0,0|0,0,0]=2 10652 B12R1.39 O=CCC(F)(F)c1ccccc1 Amb26558709 [0,2,0,0,0,0|0,0,2]=4 10653 B12R1.39 O=S(=O)(CCBr)c1ccccc1 Amb17106167 [0,2,0,0,0,0|2,0,0]=4 10654 B12R1.39 O=S(=O)(CCCl)c1ccccc1 Amb1034876 [0,2,0,0,0,0|2,0,0]=4 10655 B12R1.39 O=S(=O)(CCO)c1ccccn1 Amb27632652 [0,2,0,0,0,0|2,0,0]=4 10656 B12R1.39 O=S(=O)(CCO)c1ccncc1 Amb32657434 [0,2,0,0,0,0|2,0,0]=4 10657 B12R1.39 OCCC(F)(F)c1ccccc1 Amb27653210 [0,2,0,0,0,0|0,0,0]=2 10658 B12R1.39 OCCC(F)(F)c1ccccn1 Amb32814239 [0,2,0,0,0,0|1,0,0]=3 10659 B12R1.39 OCCC(F)(F)c1cccnc1 Amb33337730 [0,2,0,0,0,0|1,0,0]=3 10660 B12R1.39 OCCC(F)(F)c1ccncc1 Amb33218130 [0,2,0,0,0,0|1,0,0]=3 10661 B12R1.39 OCCC(F)(F)c1ccncn1 Amb33409646 [0,2,0,0,0,0|2,0,0]=4 10662 B12R1.39 OCCC(F)(F)c1cnccn1 Amb33337519 [0,2,0,0,0,0|2,0,0]=4 10663 B12R1.39 OCCC(F)(F)c1cncnc1 Amb33408094 [0,2,0,0,0,0|2,0,0]=4 10664 B12R1.39 OCCC(F)(F)c1ncccn1 Amb33411488 [0,2,0,0,0,0|2,0,0]=4 10665 B12R1.39 ONCC(F)(F)c1ccccc1 Amb33081926 [0,2,0,0,0,0|1,0,0]=3 10666 B12R1.39 [C-]#[N+]CC(C)(C)c1ccccc1 Amb33475556 [0,2,0,0,0,0|2,0,0]=4 10667 B12R1.39 [C-]#[N+]CC(F)(F)c1ccccc1 Amb25249868 [0,2,0,0,0,0|2,0,0]=4 10668 B12R1.107 C=C(C)C[C@@H](O)c1ccccc1 Amb27396487 [0,2,0,0,0,0|1,0,1]=4 10669 B12R1.107 C=C(CC(C)O)c1ccccc1 Amb27486292 [0,2,0,0,0,0|0,0,1]=3 10670 B12R1.107 C=C(Cl)CC(N)c1ccccc1 Amb27259258 [0,2,0,0,0,0|1,0,1]=4 10671 B12R1.107 C=C(Cl)C[C@@H](O)c1ccccc1 Amb27834223 [0,2,0,0,0,0|1,0,1]=4 10672 B12R1.107 C=C(O)CC(C)c1ccncc1 Amb27163578 [0,2,0,0,0,0|1,0,1]=4 10673 B12R1.107 CC(=O)CC(C)c1ccccc1 Amb5740067 [0,2,0,0,0,0|0,0,2]=4 10674 B12R1.107 CC(=O)CC(O)c1ccccc1 Amb28324943 [0,2,0,0,0,0|0,0,2]=4 10675 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 Amb27802735 [0,2,0,0,0,0|0,0,2]=4 10676 B12R1.107 CC(=O)C[C@H](N)c1ccccc1 Amb27882797 [0,2,0,0,0,0|0,0,2]=4 10677 B12R1.107 CC(Br)CC(Br)c1ccccc1 Amb27267411 [0,2,0,0,0,0|1,0,0]=3 10678 B12R1.107 CC(Br)CC(C)c1ccccc1 Amb25273655 [0,2,0,0,0,0|1,0,0]=3 10679 B12R1.107 CC(Br)CC(C)c1cccnc1 Amb27861849 [0,2,0,0,0,0|2,0,0]=4 10680 B12R1.107 CC(C)CC(=O)c1ccccc1 Amb4017884 [0,2,0,0,0,0|1,0,1]=4 10681 B12R1.107 CC(C)CC(C)c1ccccn1 Amb2694521 [0,2,0,0,0,0|2,0,0]=4 10682 B12R1.107 CC(C)CC(N)c1ccccc1 Amb6892355 [0,2,0,0,0,0|1,0,0]=3 10683 B12R1.107 CC(C)CC(N)c1ccccc1 Amb9703509 [0,2,0,0,0,0|1,0,0]=3 10684 B12R1.107 CC(C)CC(N)c1ccccn1 Amb18993299 [0,2,0,0,0,0|2,0,0]=4 10685 B12R1.107 CC(C)CC(N)c1cccnc1 Amb10607963 [0,2,0,0,0,0|2,0,0]=4 10686 B12R1.107 CC(C)CC(N)c1ccncc1 Amb18968290 [0,2,0,0,0,0|2,0,0]=4 10687 B12R1.107 CC(C)CC(O)c1ccccc1 Amb1110402 [0,2,0,0,0,0|1,0,0]=3 10688 B12R1.107 CC(C)CC(O)c1ccccn1 Amb18792671 [0,2,0,0,0,0|2,0,0]=4 10689 B12R1.107 CC(C)CC(O)c1cccnc1 Amb17232541 [0,2,0,0,0,0|2,0,0]=4 10690 B12R1.107 CC(C)CC(S)c1ccccc1 Amb7784758 [0,2,0,0,0,0|1,0,0]=3 10691 B12R1.107 CC(C)CN(C)c1ccccc1 Amb17232437 [0,2,0,0,0,0|2,0,0]=4 10692 B12R1.107 CC(C)C[C@@H](N)c1ccccc1 Amb22288660 [0,2,0,0,0,0|1,0,0]=3 10693 B12R1.107 CC(C)C[C@@H](N)c1ccccc1 Amb27175567 [0,2,0,0,0,0|1,0,0]=3 10694 B12R1.107 CC(C)C[C@H](N)c1ccccc1 Amb22288705 [0,2,0,0,0,0|1,0,0]=3 10695 B12R1.107 CC(C)C[C@H](N)c1ccccc1 Amb27249677 [0,2,0,0,0,0|1,0,0]=3 10696 B12R1.107 CC(C)C[C@H](N)c1ccccn1 Amb27983523 [0,2,0,0,0,0|2,0,0]=4 10697 B12R1.107 CC(C)C[C@H](N)c1cccnc1 Amb27202869 [0,2,0,0,0,0|2,0,0]=4 10698 B12R1.107 CC(C)NC(C)c1ccccc1 Amb9739299 [0,2,0,0,0,0|2,0,0]=4 10699 B12R1.107 CC(C)N[C@@H](C)c1ccccc1 Amb22747560 [0,2,0,0,0,0|2,0,0]=4 10700 B12R1.107 CC(C)N[C@@H](C)c1ccccc1 Amb27251954 [0,2,0,0,0,0|2,0,0]=4 10701 B12R1.107 CC(CC(=N)N)c1ccccc1 Amb25898810 [0,2,0,0,0,0|1,0,1]=4 10702 B12R1.107 CC(CC(=O)Cl)c1ccccc1 Amb2690275 [0,2,0,0,0,0|0,0,2]=4 10703 B12R1.107 CC(CC(=O)O)c1ccccc1 Amb1207393 [0,2,0,0,0,0|0,0,1]=3 10704 B12R1.107 CC(CC(=O)O)c1ccccn1 Amb6749249 [0,2,0,0,0,0|1,0,1]=4 10705 B12R1.107 CC(CC(=O)O)c1cccnc1 Amb6749217 [0,2,0,0,0,0|1,0,1]=4 10706 B12R1.107 CC(CC(=O)O)c1ccncc1 Amb32668732 [0,2,0,0,0,0|1,0,1]=4 10707 B12R1.107 CC(CC(=O)O)c1ccncc1 Amb33528474 [0,2,0,0,0,0|1,0,1]=4 10708 B12R1.107 CC(CC(N)=O)c1ccccc1 Amb3886650 [0,2,0,0,0,0|0,0,2]=4 10709 B12R1.107 CC(CC(N)=S)c1ccccc1 Amb24583414 [0,2,0,0,0,0|0,1,1]=4 10710 B12R1.107 CC(CN(C)O)c1ccccc1 Amb33081590 [0,2,0,0,0,0|1,0,0]=3 10711 B12R1.107 CC(CS(=O)Cl)c1ccccc1 Amb28286106 [0,2,0,0,0,0|1,0,1]=4 10712 B12R1.107 CC(CS(=O)[O-])c1ccccc1 Amb24385785 [0,2,0,0,0,0|1,0,1]=4 10713 B12R1.107 CC(C[C@@H](C)N)c1ccccc1 Amb33081852 [0,2,0,0,0,0|1,0,0]=3 10714 B12R1.107 CC(C[C@@H](C)O)c1ccccc1 Amb28207302 [0,2,0,0,0,0|0,0,0]=2 10715 B12R1.107 CC(C[C@H](C)N)c1ccccc1 Amb33081854 [0,2,0,0,0,0|1,0,0]=3 10716 B12R1.107 CC(C[C@H](C)O)c1ccccc1 Amb33081855 [0,2,0,0,0,0|0,0,0]=2 10717 B12R1.107 CC(C[N+](=O)[O-])c1ccccc1 Amb28200114 [0,2,0,0,0,0|1,0,1]=4 10718 B12R1.107 CC(Cl)CC(=O)c1ccccc1 Amb28042789 [0,2,0,0,0,0|1,0,1]=4 10719 B12R1.107 CC(Cl)CC(C)c1ccccc1 Amb27175543 [0,2,0,0,0,0|1,0,0]=3 10720 B12R1.107 CC(Cl)CC(C)c1cccnc1 Amb27624312 [0,2,0,0,0,0|2,0,0]=4 10721 B12R1.107 CC(Cl)CC(Cl)c1ccccc1 Amb28068688 [0,2,0,0,0,0|1,0,0]=3 10722 B12R1.107 CC(Cl)CC(O)c1ccccc1 Amb27865488 [0,2,0,0,0,0|1,0,0]=3 10723 B12R1.107 CC(N)CC(=O)c1ccccc1 Amb20668879 [0,2,0,0,0,0|1,0,1]=4 10724 B12R1.107 CC(N)CC(=O)c1ccccc1 Amb22059727 [0,2,0,0,0,0|1,0,1]=4 10725 B12R1.107 CC(N)CC(C)c1ccccc1 Amb27831891 [0,2,0,0,0,0|1,0,0]=3 10726 B12R1.107 CC(N)CC(C)c1ccccn1 Amb35657942 [0,2,0,0,0,0|2,0,0]=4 10727 B12R1.107 CC(N)CC(O)c1ccccc1 Amb18646365 [0,2,0,0,0,0|1,0,0]=3 10728 B12R1.107 CC(N)CN(C)c1ccccc1 Amb10610213 [0,2,0,0,0,0|2,0,0]=4 10729 B12R1.107 CC(N)CN(C)c1ccccc1 Amb1137929 [0,2,0,0,0,0|2,0,0]=4 10730 B12R1.107 CC(N)CS(=O)c1ccccc1 Amb27165944 [0,2,0,0,0,0|2,0,0]=4 10731 B12R1.107 CC(NC(O)=S)c1ccccc1 Amb27614814 [0,2,0,0,0,0|1,0,1]=4 10732 B12R1.107 CC(O)CC(=O)c1ccccc1 Amb27177964 [0,2,0,0,0,0|0,0,1]=3 10733 B12R1.107 CC(O)CC(C)c1ccccc1 Amb27651998 [0,2,0,0,0,0|0,0,0]=2 10734 B12R1.107 CC(O)CC(F)c1ccccc1 Amb27588281 [0,2,0,0,0,0|0,0,0]=2 10735 B12R1.107 CC(O)CC(O)c1ccccc1 Amb1110547 [0,2,0,0,0,0|0,0,0]=2 10736 B12R1.107 CC(O)CN(C)c1ccccc1 Amb17138595 [0,2,0,0,0,0|1,0,0]=3 10737 B12R1.107 CC(O)CP(C)c1ccccc1 Amb27615506 [0,2,0,0,0,0|1,0,0]=3 10738 B12R1.107 CC(O)C[C@@H](O)c1ccccc1 Amb27748936 [0,2,0,0,0,0|0,0,0]=2 10739 B12R1.107 CC(O)NC(=S)c1ccccc1 Amb27623264 [0,2,0,0,0,0|1,0,1]=4 10740 B12R1.107 CC(O)OC(C)c1ccccc1 Amb28455545 [0,2,0,0,0,0|1,0,0]=3 10741 B12R1.107 CC(O)\C=C(\Cl)c1ccccc1 Amb27451951 [0,2,0,0,0,0|0,0,2]=4 10742 B12R1.107 CN(C)CC(Cl)c1ccccc1 Amb17546791 [0,2,0,0,0,0|2,0,0]=4 10743 B12R1.107 CN(C)CC(N)c1ccccc1 Amb1218288 [0,2,0,0,0,0|2,0,0]=4 10744 B12R1.107 CN(C)CC(N)c1ccccc1 Amb22042488 [0,2,0,0,0,0|2,0,0]=4 10745 B12R1.107 CN(C)CC(N)c1ccccc1 Amb33249605 [0,2,0,0,0,0|2,0,0]=4 10746 B12R1.107 CN(C)CC(O)c1ccccc1 Amb17104281 [0,2,0,0,0,0|2,0,0]=4 10747 B12R1.107 CN(C)C[C@@H](N)c1ccccc1 Amb22745082 [0,2,0,0,0,0|2,0,0]=4 10748 B12R1.107 CN(C)C[C@@H](N)c1ccccc1 Amb28555756 [0,2,0,0,0,0|2,0,0]=4 10749 B12R1.107 CN(C)C[C@H](N)c1ccccc1 Amb26550171 [0,2,0,0,0,0|2,0,0]=4 10750 B12R1.107 CN(C)C[C@H](N)c1ccccc1 Amb33801432 [0,2,0,0,0,0|2,0,0]=4 10751 B12R1.107 CN(C)C[C@H](O)c1ccccc1 Amb24707113 [0,2,0,0,0,0|2,0,0]=4 10752 B12R1.107 CN(CC(=O)O)c1ccccc1 Amb10610413 [0,2,0,0,0,0|1,0,1]=4 10753 B12R1.107 CN(CC(=O)O)c1ccccc1 Amb4598567 [0,2,0,0,0,0|1,0,1]=4 10754 B12R1.107 CN(CC(F)Cl)c1ccccc1 Amb28118828 [0,2,0,0,0,0|2,0,0]=4 10755 B12R1.107 CS(=O)CC(N)c1ccccc1 Amb18648795 [0,2,0,0,0,0|1,0,1]=4 10756 B12R1.107 CS(=O)C[C@@H](N)c1ccccc1 Amb28195318 [0,2,0,0,0,0|1,0,1]=4 10757 B12R1.107 C[C@@H](CC(=O)Cl)c1ccccc1 Amb28139675 [0,2,0,0,0,0|0,0,2]=4 10758 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 Amb10844379 [0,2,0,0,0,0|0,0,1]=3 10759 B12R1.107 C[C@@H](Cl)C[C@@H](Cl)c1ccccc1 Amb28202622 [0,2,0,0,0,0|1,0,0]=3 10760 B12R1.107 C[C@@H](N)C[C@@H](O)c1ccccc1 Amb27592173 [0,2,0,0,0,0|1,0,0]=3 10761 B12R1.107 C[C@@H](O)C[C@@H](C)c1ccccc1 Amb27457680 [0,2,0,0,0,0|0,0,0]=2 10762 B12R1.107 C[C@@H](O)C[C@@H](S)c1ccccc1 Amb27218944 [0,2,0,0,0,0|0,0,0]=2 10763 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 Amb10844340 [0,2,0,0,0,0|0,0,1]=3 10764 B12R1.107 C[C@H](N)CN(C)c1ccccc1 Amb5782045 [0,2,0,0,0,0|2,0,0]=4 10765 B12R1.107 C[C@H](N)C[C@H](O)c1ccccc1 Amb27217333 [0,2,0,0,0,0|1,0,0]=3 10766 B12R1.107 C[C@H](O)CC(=O)c1ccccc1 Amb27178049 [0,2,0,0,0,0|0,0,1]=3 10767 B12R1.107 C[C@H](O)CN(C)c1ccccc1 Amb27615291 [0,2,0,0,0,0|1,0,0]=3 10768 B12R1.107 C[C@H](O)CN(C)c1ccncc1 Amb27458447 [0,2,0,0,0,0|2,0,0]=4 10769 B12R1.107 C[C@H](O)C[C@H](N)c1ccccc1 Amb27646110 [0,2,0,0,0,0|0,0,0]=2 10770 B12R1.107 C\C(=C\[C@H](C)O)c1ccccc1 Amb27650888 [0,2,0,0,0,0|0,0,2]=4 10771 B12R1.107 NC(=O)CC(N)c1ccccc1 Amb10609847 [0,2,0,0,0,0|0,0,2]=4 10772 B12R1.107 NC(=O)CC(N)c1ccccc1 Amb10609952 [0,2,0,0,0,0|0,0,2]=4 10773 B12R1.107 NC(=O)CC(N)c1ccccc1 Amb6264599 [0,2,0,0,0,0|0,0,2]=4 10774 B12R1.107 NC(=O)C[C@@H](N)c1ccccc1 Amb18792562 [0,2,0,0,0,0|0,0,2]=4 10775 B12R1.107 NC(=O)C[C@@H](N)c1ccccc1 Amb32661465 [0,2,0,0,0,0|0,0,2]=4 10776 B12R1.107 NC(=O)C[C@H](N)c1ccccc1 Amb28129120 [0,2,0,0,0,0|0,0,2]=4 10777 B12R1.107 NC(=O)C[C@H](N)c1ccccc1 Amb32661309 [0,2,0,0,0,0|0,0,2]=4 10778 B12R1.107 NC(=S)CC(O)c1ccccc1 Amb18805332 [0,2,0,0,0,0|0,1,1]=4 10779 B12R1.107 NC(=S)C[C@@H](O)c1ccccc1 Amb27494152 [0,2,0,0,0,0|0,1,1]=4 10780 B12R1.107 NC(CC(=O)O)c1ccccc1 Amb8566722 [0,2,0,0,0,0|0,0,1]=3 10781 B12R1.107 NC(CC(=O)O)c1ccccc1 Amb9730098 [0,2,0,0,0,0|0,0,1]=3 10782 B12R1.107 NC(CC(=O)O)c1ccccn1 Amb22898991 [0,2,0,0,0,0|1,0,1]=4 10783 B12R1.107 NC(CC(=O)O)c1ccccn1 Amb2697563 [0,2,0,0,0,0|1,0,1]=4 10784 B12R1.107 NC(CC(=O)O)c1cccnc1 Amb1993735 [0,2,0,0,0,0|1,0,1]=4 10785 B12R1.107 NC(CC(=O)O)c1ccncc1 Amb2697359 [0,2,0,0,0,0|1,0,1]=4 10786 B12R1.107 NC(CC(=O)O)c1ccncc1 Amb32666622 [0,2,0,0,0,0|1,0,1]=4 10787 B12R1.107 NC(CC(F)F)c1ccccc1 Amb18802187 [0,2,0,0,0,0|1,0,0]=3 10788 B12R1.107 NC(CC(F)F)c1ccccc1 Amb28872389 [0,2,0,0,0,0|1,0,0]=3 10789 B12R1.107 NC(C[N+](=O)[O-])c1ccccc1 Amb27443064 [0,2,0,0,0,0|1,0,1]=4 10790 B12R1.107 NN(CC(=O)O)c1ccccc1 Amb22757137 [0,2,0,0,0,0|1,0,1]=4 10791 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 Amb8384247 [0,2,0,0,0,0|0,0,1]=3 10792 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 Amb8396895 [0,2,0,0,0,0|0,0,1]=3 10793 B12R1.107 N[C@@H](CC(=O)O)c1ccccn1 Amb20241102 [0,2,0,0,0,0|1,0,1]=4 10794 B12R1.107 N[C@@H](CC(=O)O)c1cccnc1 Amb35788157 [0,2,0,0,0,0|1,0,1]=4 10795 B12R1.107 N[C@@H](CC(=O)O)c1cccnc1 Amb8627845 [0,2,0,0,0,0|1,0,1]=4 10796 B12R1.107 N[C@@H](CC(=O)O)c1ccncc1 Amb20240885 [0,2,0,0,0,0|1,0,1]=4 10797 B12R1.107 N[C@H](CC(=O)O)c1ccccc1 Amb4296884 [0,2,0,0,0,0|0,0,1]=3 10798 B12R1.107 N[C@H](CC(=O)O)c1ccccc1 Amb6365358 [0,2,0,0,0,0|0,0,1]=3 10799 B12R1.107 N[C@H](CC(=O)O)c1ccccn1 Amb20241101 [0,2,0,0,0,0|1,0,1]=4 10800 B12R1.107 N[C@H](CC(=O)O)c1cccnc1 Amb35788756 [0,2,0,0,0,0|1,0,1]=4 10801 B12R1.107 N[C@H](CC(=O)O)c1cccnc1 Amb8627846 [0,2,0,0,0,0|1,0,1]=4 10802 B12R1.107 N[C@H](CC(=O)O)c1ccncc1 Amb20241136 [0,2,0,0,0,0|1,0,1]=4 10803 B12R1.107 N[C@H](C[N+](=O)[O-])c1ccccc1 Amb27491689 [0,2,0,0,0,0|1,0,1]=4 10804 B12R1.107 O=C(CC(F)Cl)c1ccccc1 Amb27637711 [0,2,0,0,0,0|1,0,1]=4 10805 B12R1.107 O=C(O)CC(=S)c1ccccc1 Amb27433886 [0,2,0,0,0,0|0,0,2]=4 10806 B12R1.107 O=C(O)CC(Br)c1ccccc1 Amb2721208 [0,2,0,0,0,0|0,0,1]=3 10807 B12R1.107 O=C(O)CC(Br)c1ccccn1 Amb17596297 [0,2,0,0,0,0|1,0,1]=4 10808 B12R1.107 O=C(O)CC(Cl)c1ccccc1 Amb18120400 [0,2,0,0,0,0|0,0,1]=3 10809 B12R1.107 O=C(O)CC(Cl)c1ccccn1 Amb18120042 [0,2,0,0,0,0|1,0,1]=4 10810 B12R1.107 O=C(O)CC(O)c1ccccc1 Amb2697927 [0,2,0,0,0,0|0,0,1]=3 10811 B12R1.107 O=C(O)CC(O)c1ccccn1 Amb18563782 [0,2,0,0,0,0|1,0,1]=4 10812 B12R1.107 O=C(O)CC(O)c1ccncc1 Amb18563783 [0,2,0,0,0,0|1,0,1]=4 10813 B12R1.107 O=C(O)CN(Cl)c1ccccc1 Amb27984830 [0,2,0,0,0,0|1,0,1]=4 10814 B12R1.107 O=C(O)CN(O)c1ccccc1 Amb27984844 [0,2,0,0,0,0|1,0,1]=4 10815 B12R1.107 O=C(O)CS(=O)c1ccccc1 Amb18290924 [0,2,0,0,0,0|1,0,1]=4 10816 B12R1.107 O=C(O)C[C@@H](O)c1ccccc1 Amb8516664 [0,2,0,0,0,0|0,0,1]=3 10817 B12R1.107 O=C(O)C[C@@H](O)c1ccccn1 Amb33360785 [0,2,0,0,0,0|1,0,1]=4 10818 B12R1.107 O=C(O)C[C@@H](O)c1cccnc1 Amb33360064 [0,2,0,0,0,0|1,0,1]=4 10819 B12R1.107 O=C(O)C[C@@H](O)c1ccncc1 Amb33380661 [0,2,0,0,0,0|1,0,1]=4 10820 B12R1.107 O=C(O)C[C@H](O)c1ccccc1 Amb6357183 [0,2,0,0,0,0|0,0,1]=3 10821 B12R1.107 O=C(O)C[C@H](O)c1ccccn1 Amb33360787 [0,2,0,0,0,0|1,0,1]=4 10822 B12R1.107 O=C(O)C[C@H](O)c1cccnc1 Amb33360065 [0,2,0,0,0,0|1,0,1]=4 10823 B12R1.107 O=C(O)C[C@H](O)c1ccncc1 Amb33380662 [0,2,0,0,0,0|1,0,1]=4 10824 B12R1.107 O=C(S)CC(O)c1ccccc1 Amb27197171 [0,2,0,0,0,0|0,0,2]=4 10825 B12R1.107 O=[N+]([O-])CC(O)c1ccccc1 Amb1048142 [0,2,0,0,0,0|1,0,1]=4 10826 B12R1.107 OC(CC(F)F)c1ccccc1 Amb24433354 [0,2,0,0,0,0|1,0,0]=3 10827 B12R1.107 OC(OP(O)O)c1ccccc1 Amb28069489 [0,2,0,0,0,0|2,0,0]=4 10828 B12R1.308 C#CCC(N)c1ccccc1I Amb28044520 [0,2,0,0,0,0|1,0,1]=4 10829 B12R1.308 C#CCC(O)c1ccccc1O Amb28321844 [0,2,0,0,0,0|1,0,1]=4 10830 B12R1.308 C#CC[C@@H](O)c1ccccc1C Amb28400792 [0,2,0,0,0,0|1,0,1]=4 10831 B12R1.308 C#CC[C@H](O)c1ccccc1F Amb28065958 [0,2,0,0,0,0|1,0,1]=4 10832 B12R1.308 C=C(CCN)c1ccccc1Br Amb33388000 [0,2,0,0,0,0|1,0,1]=4 10833 B12R1.308 C=C(CCN)c1ccccc1C Amb33362533 [0,2,0,0,0,0|1,0,1]=4 10834 B12R1.308 C=C(CCN)c1ccccc1Cl Amb33052606 [0,2,0,0,0,0|1,0,1]=4 10835 B12R1.308 C=C(CCN)c1ccccc1F Amb33361195 [0,2,0,0,0,0|1,0,1]=4 10836 B12R1.308 C=C(CCN)c1ccccc1O Amb33195783 [0,2,0,0,0,0|1,0,1]=4 10837 B12R1.308 C=C(CCO)c1ccccc1F Amb27980568 [0,2,0,0,0,0|0,0,1]=3 10838 B12R1.308 C=CCC(C)c1ccccc1O Amb27256380 [0,2,0,0,0,0|1,0,1]=4 10839 B12R1.308 C=CCC(N)c1ccccc1Cl Amb18986268 [0,2,0,0,0,0|1,0,1]=4 10840 B12R1.308 C=CCC(N)c1ccccc1F Amb19002611 [0,2,0,0,0,0|1,0,1]=4 10841 B12R1.308 C=CCC(O)c1ccccc1Br Amb24671319 [0,2,0,0,0,0|1,0,1]=4 10842 B12R1.308 C=CCC(O)c1ccccc1C Amb18177787 [0,2,0,0,0,0|1,0,1]=4 10843 B12R1.308 C=CCC(O)c1ccccc1Cl Amb19074253 [0,2,0,0,0,0|1,0,1]=4 10844 B12R1.308 C=CCC(O)c1ccccc1F Amb18177819 [0,2,0,0,0,0|1,0,1]=4 10845 B12R1.308 C=CC[C@@H](N)c1ccccc1O Amb27947600 [0,2,0,0,0,0|1,0,1]=4 10846 B12R1.308 C=CC[C@@H](O)c1ccccc1Br Amb28129784 [0,2,0,0,0,0|1,0,1]=4 10847 B12R1.308 C=CC[C@@H](O)c1ccccc1C Amb28188194 [0,2,0,0,0,0|1,0,1]=4 10848 B12R1.308 C=CC[C@@H](O)c1ccccc1F Amb27812041 [0,2,0,0,0,0|1,0,1]=4 10849 B12R1.308 C=CC[C@@H](O)c1ccccc1S Amb28066020 [0,2,0,0,0,0|1,0,1]=4 10850 B12R1.308 C=CC[C@H](N)c1ccccc1Br Amb27642507 [0,2,0,0,0,0|1,0,1]=4 10851 B12R1.308 C=CC[C@H](N)c1ccccc1C Amb27850932 [0,2,0,0,0,0|1,0,1]=4 10852 B12R1.308 C=CC[C@H](N)c1ccccc1Cl Amb28364530 [0,2,0,0,0,0|1,0,1]=4 10853 B12R1.308 C=CC[C@H](N)c1ccccc1F Amb27951102 [0,2,0,0,0,0|1,0,1]=4 10854 B12R1.308 C=CC[C@H](O)c1ccccc1C Amb27981945 [0,2,0,0,0,0|1,0,1]=4 10855 B12R1.308 C=CC[C@H](O)c1ccccc1F Amb27219078 [0,2,0,0,0,0|1,0,1]=4 10856 B12R1.308 CC(CC#N)c1ccccc1Br Amb26631665 [0,2,0,0,0,0|1,0,1]=4 10857 B12R1.308 CC(CC#N)c1ccccc1Cl Amb25083306 [0,2,0,0,0,0|1,0,1]=4 10858 B12R1.308 CC(CC#N)c1ccccc1F Amb26883743 [0,2,0,0,0,0|1,0,1]=4 10859 B12R1.308 CC(CCN)c1ccccc1Br Amb33387586 [0,2,0,0,0,0|1,0,0]=3 10860 B12R1.308 CC(CCN)c1ccccc1Cl Amb17234048 [0,2,0,0,0,0|1,0,0]=3 10861 B12R1.308 CC(CCN)c1ccccc1F Amb17232646 [0,2,0,0,0,0|1,0,0]=3 10862 B12R1.308 CC(CCN)c1ccccc1O Amb24643805 [0,2,0,0,0,0|1,0,0]=3 10863 B12R1.308 CC(CCN)c1cccnc1Br Amb33110731 [0,2,0,0,0,0|2,0,0]=4 10864 B12R1.308 CC(CCN)c1cccnc1Cl Amb33256923 [0,2,0,0,0,0|2,0,0]=4 10865 B12R1.308 CC(CCN)c1cccnc1F Amb33378332 [0,2,0,0,0,0|2,0,0]=4 10866 B12R1.308 CC(CCN)c1ccncc1Br Amb33388508 [0,2,0,0,0,0|2,0,0]=4 10867 B12R1.308 CC(CCN)c1ccncc1Cl Amb33413513 [0,2,0,0,0,0|2,0,0]=4 10868 B12R1.308 CC(CCN)c1ccncc1F Amb25378379 [0,2,0,0,0,0|2,0,0]=4 10869 B12R1.308 CC(CCN)c1ncccc1Br Amb33335729 [0,2,0,0,0,0|2,0,0]=4 10870 B12R1.308 CC(CCN)c1ncccc1F Amb33419505 [0,2,0,0,0,0|2,0,0]=4 10871 B12R1.308 CC(CCO)c1ccccc1Cl Amb17234164 [0,2,0,0,0,0|0,0,0]=2 10872 B12R1.308 CC(CCO)c1ccccc1F Amb17232671 [0,2,0,0,0,0|0,0,0]=2 10873 B12R1.308 CC(CCO)c1ccccc1N Amb28196373 [0,2,0,0,0,0|0,0,0]=2 10874 B12R1.308 CC(CON)c1ccccc1Br Amb33387624 [0,2,0,0,0,0|2,0,0]=4 10875 B12R1.308 CC(CON)c1ccccc1Cl Amb33052584 [0,2,0,0,0,0|2,0,0]=4 10876 B12R1.308 CC(CON)c1ccccc1F Amb33361487 [0,2,0,0,0,0|2,0,0]=4 10877 B12R1.308 CC(CON)c1ccccc1O Amb33196415 [0,2,0,0,0,0|2,0,0]=4 10878 B12R1.308 CCCC(=O)c1ccccc1Br Amb17343723 [0,2,0,0,0,0|1,0,1]=4 10879 B12R1.308 CCCC(=O)c1ccccc1C Amb17198733 [0,2,0,0,0,0|1,0,1]=4 10880 B12R1.308 CCCC(=O)c1ccccc1Cl Amb17198743 [0,2,0,0,0,0|1,0,1]=4 10881 B12R1.308 CCCC(=O)c1ccccc1F Amb17198734 [0,2,0,0,0,0|1,0,1]=4 10882 B12R1.308 CCCC(=O)c1ccccc1N Amb18645869 [0,2,0,0,0,0|1,0,1]=4 10883 B12R1.308 CCCC(=O)c1ccccc1O Amb8629040 [0,2,0,0,0,0|1,0,1]=4 10884 B12R1.308 CCCC(C)c1ccccc1C Amb27244850 [0,2,0,0,0,0|1,0,0]=3 10885 B12R1.308 CCCC(C)c1ccccc1O Amb3939443 [0,2,0,0,0,0|1,0,0]=3 10886 B12R1.308 CCCC(Cl)c1ccccc1Cl Amb27808095 [0,2,0,0,0,0|1,0,0]=3 10887 B12R1.308 CCCC(N)c1ccccc1Br Amb27815075 [0,2,0,0,0,0|1,0,0]=3 10888 B12R1.308 CCCC(N)c1ccccc1C Amb17232446 [0,2,0,0,0,0|1,0,0]=3 10889 B12R1.308 CCCC(N)c1ccccc1C Amb32662363 [0,2,0,0,0,0|1,0,0]=3 10890 B12R1.308 CCCC(N)c1ccccc1Cl Amb17234047 [0,2,0,0,0,0|1,0,0]=3 10891 B12R1.308 CCCC(N)c1ccccc1F Amb17232645 [0,2,0,0,0,0|1,0,0]=3 10892 B12R1.308 CCCC(N)c1ccccc1F Amb30982461 [0,2,0,0,0,0|1,0,0]=3 10893 B12R1.308 CCCC(N)c1cccnc1Br Amb27465808 [0,2,0,0,0,0|2,0,0]=4 10894 B12R1.308 CCCC(N)c1cccnc1Cl Amb27655462 [0,2,0,0,0,0|2,0,0]=4 10895 B12R1.308 CCCC(N)c1cccnc1N Amb28124004 [0,2,0,0,0,0|2,0,0]=4 10896 B12R1.308 CCCC(N)c1cccnc1O Amb27587404 [0,2,0,0,0,0|2,0,0]=4 10897 B12R1.308 CCCC(N)c1ccncc1Br Amb27814583 [0,2,0,0,0,0|2,0,0]=4 10898 B12R1.308 CCCC(N)c1ccncc1F Amb27168255 [0,2,0,0,0,0|2,0,0]=4 10899 B12R1.308 CCCC(N)c1cnccc1C Amb18828707 [0,2,0,0,0,0|2,0,0]=4 10900 B12R1.308 CCCC(O)c1ccccc1C Amb17232483 [0,2,0,0,0,0|1,0,0]=3 10901 B12R1.308 CCCC(O)c1ccccc1Cl Amb17234154 [0,2,0,0,0,0|1,0,0]=3 10902 B12R1.308 CCCC(O)c1ccccc1F Amb17232666 [0,2,0,0,0,0|1,0,0]=3 10903 B12R1.308 CCCC(O)c1cccnc1Br Amb35702777 [0,2,0,0,0,0|2,0,0]=4 10904 B12R1.308 CCCC(O)c1cccnc1C Amb27399818 [0,2,0,0,0,0|2,0,0]=4 10905 B12R1.308 CCCC(O)c1ccncc1Cl Amb27979725 [0,2,0,0,0,0|2,0,0]=4 10906 B12R1.308 CCCC(O)c1cnccc1N Amb27803449 [0,2,0,0,0,0|2,0,0]=4 10907 B12R1.308 CCCC(O)c1ncccc1C Amb18182634 [0,2,0,0,0,0|2,0,0]=4 10908 B12R1.308 CCCC(O)c1ncccc1Cl Amb27162023 [0,2,0,0,0,0|2,0,0]=4 10909 B12R1.308 CCCC(O)c1ncccc1N Amb35587562 [0,2,0,0,0,0|2,0,0]=4 10910 B12R1.308 CCCN(C)c1ccccc1N Amb8898676 [0,2,0,0,0,0|2,0,0]=4 10911 B12R1.308 CCC[C@@H](N)c1ccccc1C Amb27391198 [0,2,0,0,0,0|1,0,0]=3 10912 B12R1.308 CCC[C@@H](N)c1ccccc1Cl Amb27196196 [0,2,0,0,0,0|1,0,0]=3 10913 B12R1.308 CCC[C@@H](N)c1cccnc1Cl Amb27831928 [0,2,0,0,0,0|2,0,0]=4 10914 B12R1.308 CCC[C@@H](N)c1cccnc1O Amb25789514 [0,2,0,0,0,0|2,0,0]=4 10915 B12R1.308 CCC[C@@H](N)c1ccncc1C Amb28072847 [0,2,0,0,0,0|2,0,0]=4 10916 B12R1.308 CCC[C@@H](N)c1ccncc1N Amb28291421 [0,2,0,0,0,0|2,0,0]=4 10917 B12R1.308 CCC[C@@H](N)c1cnccc1C Amb28397848 [0,2,0,0,0,0|2,0,0]=4 10918 B12R1.308 CCC[C@@H](N)c1ncccc1Br Amb28123203 [0,2,0,0,0,0|2,0,0]=4 10919 B12R1.308 CCC[C@@H](N)c1ncccc1Cl Amb27620350 [0,2,0,0,0,0|2,0,0]=4 10920 B12R1.308 CCC[C@@H](N)c1ncccc1N Amb27470724 [0,2,0,0,0,0|2,0,0]=4 10921 B12R1.308 CCC[C@@H](O)c1ccccc1F Amb28064219 [0,2,0,0,0,0|1,0,0]=3 10922 B12R1.308 CCC[C@@H](O)c1ccncc1C Amb27220301 [0,2,0,0,0,0|2,0,0]=4 10923 B12R1.308 CCC[C@H](N)c1ccccc1C Amb26841003 [0,2,0,0,0,0|1,0,0]=3 10924 B12R1.308 CCC[C@H](N)c1ccccc1F Amb27830664 [0,2,0,0,0,0|1,0,0]=3 10925 B12R1.308 CCC[C@H](N)c1ccccc1I Amb28401584 [0,2,0,0,0,0|1,0,0]=3 10926 B12R1.308 CCC[C@H](N)c1ccccc1O Amb28072846 [0,2,0,0,0,0|1,0,0]=3 10927 B12R1.308 CCC[C@H](N)c1ccccc1S Amb27816971 [0,2,0,0,0,0|1,0,0]=3 10928 B12R1.308 CCC[C@H](N)c1cccnc1F Amb27469618 [0,2,0,0,0,0|2,0,0]=4 10929 B12R1.308 CCC[C@H](N)c1cccnc1O Amb28457234 [0,2,0,0,0,0|2,0,0]=4 10930 B12R1.308 CCC[C@H](N)c1ccncc1Br Amb27851411 [0,2,0,0,0,0|2,0,0]=4 10931 B12R1.308 CCC[C@H](N)c1cnccc1Br Amb27461989 [0,2,0,0,0,0|2,0,0]=4 10932 B12R1.308 CCC[C@H](N)c1ncccc1N Amb27227956 [0,2,0,0,0,0|2,0,0]=4 10933 B12R1.308 CCC[C@H](O)c1ccccc1Br Amb27661408 [0,2,0,0,0,0|1,0,0]=3 10934 B12R1.308 CCC[C@H](O)c1ccccc1Cl Amb28381799 [0,2,0,0,0,0|1,0,0]=3 10935 B12R1.308 CCC[C@H](O)c1ccncc1C Amb28185410 [0,2,0,0,0,0|2,0,0]=4 10936 B12R1.308 CCC[C@H](O)c1cnccc1C Amb27758501 [0,2,0,0,0,0|2,0,0]=4 10937 B12R1.308 CCC[C@H](O)c1ncccc1Br Amb27228260 [0,2,0,0,0,0|2,0,0]=4 10938 B12R1.308 CCC[C@H](O)c1ncccc1C Amb27651963 [0,2,0,0,0,0|2,0,0]=4 10939 B12R1.308 CCC[C@H](O)c1ncccc1Cl Amb27871918 [0,2,0,0,0,0|2,0,0]=4 10940 B12R1.308 CCNC(C)c1ccccc1I Amb28288975 [0,2,0,0,0,0|2,0,0]=4 10941 B12R1.308 CCN[C@H](C)c1ccccc1Br Amb27615416 [0,2,0,0,0,0|2,0,0]=4 10942 B12R1.308 CCN[C@H](C)c1ccccc1C Amb28350570 [0,2,0,0,0,0|2,0,0]=4 10943 B12R1.308 CCN[C@H](C)c1ccccc1Cl Amb27637568 [0,2,0,0,0,0|2,0,0]=4 10944 B12R1.308 CCSC(C)c1ccccc1Cl Amb28127831 [0,2,0,0,0,0|2,0,0]=4 10945 B12R1.308 CCSC(C)c1ccccc1F Amb28185640 [0,2,0,0,0,0|2,0,0]=4 10946 B12R1.308 CN(CCCl)c1ccccc1Br Amb17351919 [0,2,0,0,0,0|2,0,0]=4 10947 B12R1.308 CN(CCCl)c1ccccc1Cl Amb17338055 [0,2,0,0,0,0|2,0,0]=4 10948 B12R1.308 CN(CCCl)c1ccccc1F Amb17335951 [0,2,0,0,0,0|2,0,0]=4 10949 B12R1.308 CN(CCCl)c1ccccc1N Amb27863533 [0,2,0,0,0,0|2,0,0]=4 10950 B12R1.308 CN(CCF)c1ccccc1O Amb27853039 [0,2,0,0,0,0|2,0,0]=4 10951 B12R1.308 CN(CCI)c1ccccc1O Amb28078731 [0,2,0,0,0,0|2,0,0]=4 10952 B12R1.308 CN(CCN)c1ccccc1Br Amb17059772 [0,2,0,0,0,0|2,0,0]=4 10953 B12R1.308 CN(CCN)c1ccccc1Cl Amb17059645 [0,2,0,0,0,0|2,0,0]=4 10954 B12R1.308 CN(CCN)c1ccccc1F Amb17059642 [0,2,0,0,0,0|2,0,0]=4 10955 B12R1.308 CN(CCO)c1ccccc1Br Amb17344451 [0,2,0,0,0,0|1,0,0]=3 10956 B12R1.308 CN(CCO)c1ccccc1Cl Amb17335810 [0,2,0,0,0,0|1,0,0]=3 10957 B12R1.308 CN(CCO)c1ccccc1F Amb17334763 [0,2,0,0,0,0|1,0,0]=3 10958 B12R1.308 CN(CCO)c1ccccc1N Amb8997333 [0,2,0,0,0,0|1,0,0]=3 10959 B12R1.308 CN(CCO)c1ccccc1O Amb27256043 [0,2,0,0,0,0|1,0,0]=3 10960 B12R1.308 CN(CCO)c1cccnc1N Amb27666826 [0,2,0,0,0,0|2,0,0]=4 10961 B12R1.308 CN(CCO)c1ccncc1F Amb30020354 [0,2,0,0,0,0|2,0,0]=4 10962 B12R1.308 CN(CCO)c1ncccc1Br Amb25215188 [0,2,0,0,0,0|2,0,0]=4 10963 B12R1.308 CN(CCO)c1ncccc1N Amb8858230 [0,2,0,0,0,0|2,0,0]=4 10964 B12R1.308 CNCC(C)c1ccccc1Cl Amb28207901 [0,2,0,0,0,0|2,0,0]=4 10965 B12R1.308 CNCC(O)c1ccccc1Br Amb18301236 [0,2,0,0,0,0|2,0,0]=4 10966 B12R1.308 CNCC(O)c1ccccc1C Amb5750895 [0,2,0,0,0,0|2,0,0]=4 10967 B12R1.308 CNCC(O)c1ccccc1Cl Amb5750901 [0,2,0,0,0,0|2,0,0]=4 10968 B12R1.308 CNCC(O)c1ccccc1F Amb5750898 [0,2,0,0,0,0|2,0,0]=4 10969 B12R1.308 CNCC(O)c1ccccc1O Amb24739803 [0,2,0,0,0,0|2,0,0]=4 10970 B12R1.308 COCC(F)c1ccccc1N Amb27615210 [0,2,0,0,0,0|2,0,0]=4 10971 B12R1.308 COCC(N)c1ccccc1Br Amb25974461 [0,2,0,0,0,0|2,0,0]=4 10972 B12R1.308 COCC(N)c1ccccc1Cl Amb18979037 [0,2,0,0,0,0|2,0,0]=4 10973 B12R1.308 COC[C@@H](N)c1ccccc1Br Amb27259275 [0,2,0,0,0,0|2,0,0]=4 10974 B12R1.308 COC[C@@H](N)c1ccccc1I Amb27642503 [0,2,0,0,0,0|2,0,0]=4 10975 B12R1.308 COC[C@@H](N)c1ccccc1N Amb27882660 [0,2,0,0,0,0|2,0,0]=4 10976 B12R1.308 COC[C@@H](N)c1ccccc1O Amb27399755 [0,2,0,0,0,0|2,0,0]=4 10977 B12R1.308 COC[C@H](N)c1ccccc1F Amb27752235 [0,2,0,0,0,0|2,0,0]=4 10978 B12R1.308 COC[C@H](N)c1ccccc1O Amb28341304 [0,2,0,0,0,0|2,0,0]=4 10979 B12R1.308 CSCC(N)c1ccccc1Cl Amb18300371 [0,2,0,0,0,0|2,0,0]=4 10980 B12R1.308 CSCC(O)c1ccccc1C Amb19061296 [0,2,0,0,0,0|2,0,0]=4 10981 B12R1.308 CSCC(O)c1ccccc1N Amb18987947 [0,2,0,0,0,0|2,0,0]=4 10982 B12R1.308 C\C(=C/CO)c1ccccc1Cl Amb27416537 [0,2,0,0,0,0|0,0,2]=4 10983 B12R1.308 C\C(=C/CO)c1ccccc1O Amb27749760 [0,2,0,0,0,0|0,0,2]=4 10984 B12R1.308 Cc1ccccc1C(=O)CCBr Amb28119109 [0,2,0,0,0,0|1,0,1]=4 10985 B12R1.308 Cc1ccccc1C(=O)CCN Amb25062867 [0,2,0,0,0,0|1,0,1]=4 10986 B12R1.308 Cc1ccccc1C(=O)CCO Amb26555785 [0,2,0,0,0,0|0,0,1]=3 10987 B12R1.308 Cc1ccccc1C(C)CC#N Amb27762988 [0,2,0,0,0,0|1,0,1]=4 10988 B12R1.308 Cc1ccccc1C(C)CCN Amb17232447 [0,2,0,0,0,0|1,0,0]=3 10989 B12R1.308 Cc1ccccc1C(C)CCO Amb17232499 [0,2,0,0,0,0|0,0,0]=2 10990 B12R1.308 Cc1ccccc1C(C)CON Amb33360571 [0,2,0,0,0,0|2,0,0]=4 10991 B12R1.308 Cc1ccccc1C(F)CCN Amb25894968 [0,2,0,0,0,0|1,0,0]=3 10992 B12R1.308 Cc1ccccc1C(N)CC#N Amb18563498 [0,2,0,0,0,0|1,0,1]=4 10993 B12R1.308 Cc1ccccc1C(N)CCO Amb17103953 [0,2,0,0,0,0|0,0,0]=2 10994 B12R1.308 Cc1ccccc1C(O)CC#N Amb1111330 [0,2,0,0,0,0|1,0,1]=4 10995 B12R1.308 Cc1ccccc1C(O)CCN Amb17232539 [0,2,0,0,0,0|1,0,0]=3 10996 B12R1.308 Cc1ccccc1C(O)CCO Amb28195046 [0,2,0,0,0,0|0,0,0]=2 10997 B12R1.308 Cc1ccccc1C(O)CNN Amb17232608 [0,2,0,0,0,0|2,0,0]=4 10998 B12R1.308 Cc1ccccc1C(O)CNO Amb17334702 [0,2,0,0,0,0|1,0,0]=3 10999 B12R1.308 Cc1ccccc1N(C)CCCl Amb17335670 [0,2,0,0,0,0|2,0,0]=4 11000 B12R1.308 Cc1ccccc1N(C)CCN Amb17059640 [0,2,0,0,0,0|2,0,0]=4 11001 B12R1.308 Cc1ccccc1N(C)CCO Amb17334643 [0,2,0,0,0,0|1,0,0]=3 11002 B12R1.308 Cc1ccccc1[C@@H](C)CCO Amb27981985 [0,2,0,0,0,0|0,0,0]=2 11003 B12R1.308 Cc1ccccc1[C@@H](N)CCO Amb24393358 [0,2,0,0,0,0|0,0,0]=2 11004 B12R1.308 Cc1ccccc1[C@@H](O)CC#N Amb28188196 [0,2,0,0,0,0|1,0,1]=4 11005 B12R1.308 Cc1ccccc1[C@@H](O)CCN Amb33360572 [0,2,0,0,0,0|1,0,0]=3 11006 B12R1.308 Cc1ccccc1[C@H](N)CCO Amb27221061 [0,2,0,0,0,0|0,0,0]=2 11007 B12R1.308 Cc1ccccc1[C@H](O)CCN Amb33360573 [0,2,0,0,0,0|1,0,0]=3 11008 B12R1.308 Cc1cccnc1C(C)CCN Amb33429066 [0,2,0,0,0,0|2,0,0]=4 11009 B12R1.308 Cc1cccnc1C(F)CCN Amb33428799 [0,2,0,0,0,0|2,0,0]=4 11010 B12R1.308 Cc1cccnc1C(N)CCO Amb24488620 [0,2,0,0,0,0|1,0,0]=3 11011 B12R1.308 Cc1cccnc1C(O)CCN Amb33429074 [0,2,0,0,0,0|2,0,0]=4 11012 B12R1.308 Cc1cccnc1[C@@H](O)CCN Amb33428800 [0,2,0,0,0,0|2,0,0]=4 11013 B12R1.308 Cc1cccnc1[C@H](O)CCN Amb33428801 [0,2,0,0,0,0|2,0,0]=4 11014 B12R1.308 Cc1ccncc1C(C)CCN Amb24566086 [0,2,0,0,0,0|2,0,0]=4 11015 B12R1.308 Cc1ccncc1C(F)CCN Amb25894967 [0,2,0,0,0,0|2,0,0]=4 11016 B12R1.308 Cc1ccncc1C(N)CCO Amb28043162 [0,2,0,0,0,0|1,0,0]=3 11017 B12R1.308 Cc1ccncc1C(O)CCN Amb27412144 [0,2,0,0,0,0|2,0,0]=4 11018 B12R1.308 Cc1ccncc1C(O)CCO Amb27860170 [0,2,0,0,0,0|1,0,0]=3 11019 B12R1.308 Cc1ccncc1[C@@H](O)CCN Amb33377431 [0,2,0,0,0,0|2,0,0]=4 11020 B12R1.308 Cc1ccncc1[C@H](O)CCN Amb33224026 [0,2,0,0,0,0|2,0,0]=4 11021 B12R1.308 Cc1cnccc1C(C)CCN Amb33226338 [0,2,0,0,0,0|2,0,0]=4 11022 B12R1.308 Cc1cnccc1C(F)CCN Amb33414182 [0,2,0,0,0,0|2,0,0]=4 11023 B12R1.308 Cc1cnccc1C(N)CCO Amb27817450 [0,2,0,0,0,0|1,0,0]=3 11024 B12R1.308 Cc1cnccc1C(O)CCN Amb26892825 [0,2,0,0,0,0|2,0,0]=4 11025 B12R1.308 Cc1cnccc1N(C)CCO Amb27978776 [0,2,0,0,0,0|2,0,0]=4 11026 B12R1.308 Cc1cnccc1[C@@H](O)CCN Amb33414183 [0,2,0,0,0,0|2,0,0]=4 11027 B12R1.308 Cc1cnccc1[C@H](N)CCO Amb27437097 [0,2,0,0,0,0|1,0,0]=3 11028 B12R1.308 Cc1cnccc1[C@H](O)CCN Amb33414184 [0,2,0,0,0,0|2,0,0]=4 11029 B12R1.308 Cc1ncccc1C(C)CCN Amb32880593 [0,2,0,0,0,0|2,0,0]=4 11030 B12R1.308 Cc1ncccc1C(F)CCN Amb32880588 [0,2,0,0,0,0|2,0,0]=4 11031 B12R1.308 Cc1ncccc1C(N)CCO Amb27831972 [0,2,0,0,0,0|1,0,0]=3 11032 B12R1.308 Cc1ncccc1C(O)CCN Amb32880143 [0,2,0,0,0,0|2,0,0]=4 11033 B12R1.308 Cc1ncccc1[C@@H](O)CCN Amb32879318 [0,2,0,0,0,0|2,0,0]=4 11034 B12R1.308 Cc1ncccc1[C@H](O)CCN Amb32879319 [0,2,0,0,0,0|2,0,0]=4 11035 B12R1.308 Cc1nccnc1C(N)CCO Amb26455330 [0,2,0,0,0,0|2,0,0]=4 11036 B12R1.308 Cc1ncncc1C(N)CCO Amb33472855 [0,2,0,0,0,0|2,0,0]=4 11037 B12R1.308 N#CCC(N)c1ccccc1Br Amb18066761 [0,2,0,0,0,0|1,0,1]=4 11038 B12R1.308 N#CCC(N)c1ccccc1Cl Amb18564158 [0,2,0,0,0,0|1,0,1]=4 11039 B12R1.308 N#CCC(N)c1ccccc1F Amb18563603 [0,2,0,0,0,0|1,0,1]=4 11040 B12R1.308 N#CCC(N)c1ccccc1I Amb27202260 [0,2,0,0,0,0|1,0,1]=4 11041 B12R1.308 N#CCC(N)c1ccccc1N Amb27595646 [0,2,0,0,0,0|1,0,1]=4 11042 B12R1.308 N#CCC(N)c1ccccc1S Amb27389236 [0,2,0,0,0,0|1,0,1]=4 11043 B12R1.308 N#CCC(O)c1ccccc1Br Amb27444920 [0,2,0,0,0,0|1,0,1]=4 11044 B12R1.308 N#CCC(O)c1ccccc1Cl Amb4405009 [0,2,0,0,0,0|1,0,1]=4 11045 B12R1.308 N#CCC(O)c1ccccc1F Amb17232516 [0,2,0,0,0,0|1,0,1]=4 11046 B12R1.308 N#CCC(O)c1ccccc1O Amb27433523 [0,2,0,0,0,0|1,0,1]=4 11047 B12R1.308 N#CC[C@@H](O)c1ccccc1F Amb27879709 [0,2,0,0,0,0|1,0,1]=4 11048 B12R1.308 N#CC[C@H](N)c1ccccc1Br Amb27403589 [0,2,0,0,0,0|1,0,1]=4 11049 B12R1.308 N#CC[C@H](N)c1ccccc1F Amb27425307 [0,2,0,0,0,0|1,0,1]=4 11050 B12R1.308 N#CC[C@H](O)c1ccccc1Br Amb27464759 [0,2,0,0,0,0|1,0,1]=4 11051 B12R1.308 NC(CCO)c1ccccc1Br Amb18297962 [0,2,0,0,0,0|0,0,0]=2 11052 B12R1.308 NC(CCO)c1ccccc1Cl Amb1993960 [0,2,0,0,0,0|0,0,0]=2 11053 B12R1.308 NC(CCO)c1ccccc1F Amb2408130 [0,2,0,0,0,0|0,0,0]=2 11054 B12R1.308 NC(CCO)c1ccccc1F Amb32664424 [0,2,0,0,0,0|0,0,0]=2 11055 B12R1.308 NC(CCO)c1ccccc1O Amb24487329 [0,2,0,0,0,0|0,0,0]=2 11056 B12R1.308 NC(CCO)c1cccnc1Br Amb24461552 [0,2,0,0,0,0|1,0,0]=3 11057 B12R1.308 NC(CCO)c1cccnc1Cl Amb22296967 [0,2,0,0,0,0|1,0,0]=3 11058 B12R1.308 NC(CCO)c1cccnc1F Amb26918437 [0,2,0,0,0,0|1,0,0]=3 11059 B12R1.308 NC(CCO)c1ccncc1Br Amb25212924 [0,2,0,0,0,0|1,0,0]=3 11060 B12R1.308 NC(CCO)c1ccncc1Cl Amb24655939 [0,2,0,0,0,0|1,0,0]=3 11061 B12R1.308 NC(CCO)c1ccncc1F Amb26958502 [0,2,0,0,0,0|1,0,0]=3 11062 B12R1.308 NC(CCO)c1ccncc1O Amb27596116 [0,2,0,0,0,0|1,0,0]=3 11063 B12R1.308 NC(CCO)c1cnccc1Cl Amb28314170 [0,2,0,0,0,0|1,0,0]=3 11064 B12R1.308 NC(CCO)c1cnccc1O Amb27411794 [0,2,0,0,0,0|1,0,0]=3 11065 B12R1.308 NC(CCO)c1ncccc1Br Amb25244942 [0,2,0,0,0,0|1,0,0]=3 11066 B12R1.308 NC(CCO)c1ncccc1F Amb27756387 [0,2,0,0,0,0|1,0,0]=3 11067 B12R1.308 NCCC(=O)c1ccccc1Br Amb33389465 [0,2,0,0,0,0|1,0,1]=4 11068 B12R1.308 NCCC(=O)c1ccccc1Cl Amb25709180 [0,2,0,0,0,0|1,0,1]=4 11069 B12R1.308 NCCC(=O)c1ccccc1Cl Amb32674762 [0,2,0,0,0,0|1,0,1]=4 11070 B12R1.308 NCCC(=O)c1ccccc1F Amb27881481 [0,2,0,0,0,0|1,0,1]=4 11071 B12R1.308 NCCC(=O)c1ccccc1N Amb21855941 [0,2,0,0,0,0|1,0,1]=4 11072 B12R1.308 NCCC(=O)c1ccccc1N Amb28555772 [0,2,0,0,0,0|1,0,1]=4 11073 B12R1.308 NCCC(=O)c1ccccc1N Amb32652605 [0,2,0,0,0,0|1,0,1]=4 11074 B12R1.308 NCCC(=O)c1ccccc1O Amb24346596 [0,2,0,0,0,0|1,0,1]=4 11075 B12R1.308 NCCC(F)c1ccccc1Br Amb25996777 [0,2,0,0,0,0|1,0,0]=3 11076 B12R1.308 NCCC(F)c1ccccc1Cl Amb25083769 [0,2,0,0,0,0|1,0,0]=3 11077 B12R1.308 NCCC(F)c1ccccc1F Amb25894969 [0,2,0,0,0,0|1,0,0]=3 11078 B12R1.308 NCCC(F)c1ccccc1O Amb24742701 [0,2,0,0,0,0|1,0,0]=3 11079 B12R1.308 NCCC(F)c1cccnc1Br Amb33387478 [0,2,0,0,0,0|2,0,0]=4 11080 B12R1.308 NCCC(F)c1cccnc1Cl Amb33257309 [0,2,0,0,0,0|2,0,0]=4 11081 B12R1.308 NCCC(F)c1cccnc1F Amb33224054 [0,2,0,0,0,0|2,0,0]=4 11082 B12R1.308 NCCC(F)c1cccnc1N Amb27979709 [0,2,0,0,0,0|2,0,0]=4 11083 B12R1.308 NCCC(F)c1ccncc1Br Amb33388650 [0,2,0,0,0,0|2,0,0]=4 11084 B12R1.308 NCCC(F)c1ccncc1Cl Amb33413841 [0,2,0,0,0,0|2,0,0]=4 11085 B12R1.308 NCCC(F)c1ccncc1F Amb24543855 [0,2,0,0,0,0|2,0,0]=4 11086 B12R1.308 NCCC(F)c1cnccc1N Amb27664603 [0,2,0,0,0,0|2,0,0]=4 11087 B12R1.308 NCCC(F)c1ncccc1Br Amb33336060 [0,2,0,0,0,0|2,0,0]=4 11088 B12R1.308 NCCC(F)c1ncccc1F Amb33418806 [0,2,0,0,0,0|2,0,0]=4 11089 B12R1.308 NCCC(N)c1ccccc1I Amb27788534 [0,2,0,0,0,0|1,0,0]=3 11090 B12R1.308 NCCC(O)c1ccccc1Br Amb18747006 [0,2,0,0,0,0|1,0,0]=3 11091 B12R1.308 NCCC(O)c1ccccc1Cl Amb17234259 [0,2,0,0,0,0|1,0,0]=3 11092 B12R1.308 NCCC(O)c1ccccc1F Amb17232696 [0,2,0,0,0,0|1,0,0]=3 11093 B12R1.308 NCCC(O)c1ccccc1N Amb28249964 [0,2,0,0,0,0|1,0,0]=3 11094 B12R1.308 NCCC(O)c1ccccc1O Amb24718394 [0,2,0,0,0,0|1,0,0]=3 11095 B12R1.308 NCCC(O)c1cccnc1Br Amb33389447 [0,2,0,0,0,0|2,0,0]=4 11096 B12R1.308 NCCC(O)c1cccnc1Cl Amb33256985 [0,2,0,0,0,0|2,0,0]=4 11097 B12R1.308 NCCC(O)c1cccnc1F Amb33378643 [0,2,0,0,0,0|2,0,0]=4 11098 B12R1.308 NCCC(O)c1ccncc1Br Amb32693729 [0,2,0,0,0,0|2,0,0]=4 11099 B12R1.308 NCCC(O)c1ccncc1Cl Amb32694213 [0,2,0,0,0,0|2,0,0]=4 11100 B12R1.308 NCCC(O)c1ccncc1F Amb25076891 [0,2,0,0,0,0|2,0,0]=4 11101 B12R1.308 NCCC(O)c1ncccc1Br Amb33335706 [0,2,0,0,0,0|2,0,0]=4 11102 B12R1.308 NCCC(O)c1ncccc1F Amb24536231 [0,2,0,0,0,0|2,0,0]=4 11103 B12R1.308 NCCS(=O)c1ccccc1F Amb18974522 [0,2,0,0,0,0|2,0,0]=4 11104 B12R1.308 NCCS(=O)c1ccccc1F Amb19373859 [0,2,0,0,0,0|2,0,0]=4 11105 B12R1.308 NCCS(=O)c1ccccc1O Amb27208586 [0,2,0,0,0,0|2,0,0]=4 11106 B12R1.308 NCC[C@@H](N)c1ccccc1Cl Amb27205254 [0,2,0,0,0,0|1,0,0]=3 11107 B12R1.308 NCC[C@@H](N)c1ccccc1I Amb27204878 [0,2,0,0,0,0|1,0,0]=3 11108 B12R1.308 NCC[C@@H](N)c1cccnc1F Amb27437356 [0,2,0,0,0,0|2,0,0]=4 11109 B12R1.308 NCC[C@@H](N)c1ccncc1Cl Amb28056006 [0,2,0,0,0,0|2,0,0]=4 11110 B12R1.308 NCC[C@@H](O)c1ccccc1Br Amb33387618 [0,2,0,0,0,0|1,0,0]=3 11111 B12R1.308 NCC[C@@H](O)c1ccccc1Cl Amb33052581 [0,2,0,0,0,0|1,0,0]=3 11112 B12R1.308 NCC[C@@H](O)c1ccccc1F Amb33361507 [0,2,0,0,0,0|1,0,0]=3 11113 B12R1.308 NCC[C@@H](O)c1ccccc1O Amb33196477 [0,2,0,0,0,0|1,0,0]=3 11114 B12R1.308 NCC[C@@H](O)c1cccnc1Br Amb33388507 [0,2,0,0,0,0|2,0,0]=4 11115 B12R1.308 NCC[C@@H](O)c1cccnc1Cl Amb33257302 [0,2,0,0,0,0|2,0,0]=4 11116 B12R1.308 NCC[C@@H](O)c1cccnc1F Amb33377685 [0,2,0,0,0,0|2,0,0]=4 11117 B12R1.308 NCC[C@@H](O)c1ccncc1Br Amb33388253 [0,2,0,0,0,0|2,0,0]=4 11118 B12R1.308 NCC[C@@H](O)c1ccncc1Cl Amb33413575 [0,2,0,0,0,0|2,0,0]=4 11119 B12R1.308 NCC[C@@H](O)c1ccncc1F Amb33317440 [0,2,0,0,0,0|2,0,0]=4 11120 B12R1.308 NCC[C@@H](O)c1ncccc1Br Amb33336054 [0,2,0,0,0,0|2,0,0]=4 11121 B12R1.308 NCC[C@@H](O)c1ncccc1F Amb33418808 [0,2,0,0,0,0|2,0,0]=4 11122 B12R1.308 NCC[C@H](N)c1cccnc1Br Amb27640706 [0,2,0,0,0,0|2,0,0]=4 11123 B12R1.308 NCC[C@H](N)c1cccnc1Cl Amb27850069 [0,2,0,0,0,0|2,0,0]=4 11124 B12R1.308 NCC[C@H](N)c1cccnc1N Amb28346907 [0,2,0,0,0,0|2,0,0]=4 11125 B12R1.308 NCC[C@H](O)c1ccccc1Br Amb33387621 [0,2,0,0,0,0|1,0,0]=3 11126 B12R1.308 NCC[C@H](O)c1ccccc1Cl Amb33052779 [0,2,0,0,0,0|1,0,0]=3 11127 B12R1.308 NCC[C@H](O)c1ccccc1F Amb33361910 [0,2,0,0,0,0|1,0,0]=3 11128 B12R1.308 NCC[C@H](O)c1ccccc1O Amb33196476 [0,2,0,0,0,0|1,0,0]=3 11129 B12R1.308 NCC[C@H](O)c1cccnc1Br Amb33227263 [0,2,0,0,0,0|2,0,0]=4 11130 B12R1.308 NCC[C@H](O)c1cccnc1Cl Amb33257312 [0,2,0,0,0,0|2,0,0]=4 11131 B12R1.308 NCC[C@H](O)c1cccnc1F Amb33377683 [0,2,0,0,0,0|2,0,0]=4 11132 B12R1.308 NCC[C@H](O)c1ccncc1Br Amb33389537 [0,2,0,0,0,0|2,0,0]=4 11133 B12R1.308 NCC[C@H](O)c1ccncc1Cl Amb33413585 [0,2,0,0,0,0|2,0,0]=4 11134 B12R1.308 NCC[C@H](O)c1ccncc1F Amb33317540 [0,2,0,0,0,0|2,0,0]=4 11135 B12R1.308 NCC[C@H](O)c1ncccc1Br Amb33336057 [0,2,0,0,0,0|2,0,0]=4 11136 B12R1.308 NCC[C@H](O)c1ncccc1F Amb33418807 [0,2,0,0,0,0|2,0,0]=4 11137 B12R1.308 NNCC(O)c1ccccc1Br Amb18070085 [0,2,0,0,0,0|2,0,0]=4 11138 B12R1.308 NNCC(O)c1ccccc1Cl Amb17234360 [0,2,0,0,0,0|2,0,0]=4 11139 B12R1.308 NNCC(O)c1ccccc1F Amb17232742 [0,2,0,0,0,0|2,0,0]=4 11140 B12R1.308 N[C@@H](CCO)c1ccccc1Br Amb25140602 [0,2,0,0,0,0|0,0,0]=2 11141 B12R1.308 N[C@@H](CCO)c1ccccc1Cl Amb19888408 [0,2,0,0,0,0|0,0,0]=2 11142 B12R1.308 N[C@@H](CCO)c1ccccc1F Amb27468716 [0,2,0,0,0,0|0,0,0]=2 11143 B12R1.308 N[C@@H](CCO)c1ccccc1I Amb27851414 [0,2,0,0,0,0|0,0,0]=2 11144 B12R1.308 N[C@@H](CCO)c1ccccc1O Amb28345683 [0,2,0,0,0,0|0,0,0]=2 11145 B12R1.308 N[C@@H](CCO)c1cccnc1Br Amb27864944 [0,2,0,0,0,0|1,0,0]=3 11146 B12R1.308 N[C@@H](CCO)c1cccnc1Cl Amb28344522 [0,2,0,0,0,0|1,0,0]=3 11147 B12R1.308 N[C@@H](CCO)c1cccnc1O Amb28057750 [0,2,0,0,0,0|1,0,0]=3 11148 B12R1.308 N[C@@H](CCO)c1cccnc1S Amb27590308 [0,2,0,0,0,0|1,0,0]=3 11149 B12R1.308 N[C@@H](CCO)c1ccncc1Cl Amb26471936 [0,2,0,0,0,0|1,0,0]=3 11150 B12R1.308 N[C@@H](CCO)c1ccncc1F Amb24423142 [0,2,0,0,0,0|1,0,0]=3 11151 B12R1.308 N[C@@H](CCO)c1ccncc1O Amb27655648 [0,2,0,0,0,0|1,0,0]=3 11152 B12R1.308 N[C@@H](CCO)c1cnccc1Br Amb27770052 [0,2,0,0,0,0|1,0,0]=3 11153 B12R1.308 N[C@@H](CCO)c1ncccc1Br Amb27801074 [0,2,0,0,0,0|1,0,0]=3 11154 B12R1.308 N[C@@H](CCO)c1ncccc1Cl Amb27391603 [0,2,0,0,0,0|1,0,0]=3 11155 B12R1.308 N[C@@H](CCO)c1ncccc1O Amb27970375 [0,2,0,0,0,0|1,0,0]=3 11156 B12R1.308 N[C@H](CCO)c1ccccc1Br Amb25301240 [0,2,0,0,0,0|0,0,0]=2 11157 B12R1.308 N[C@H](CCO)c1ccccc1Cl Amb19887650 [0,2,0,0,0,0|0,0,0]=2 11158 B12R1.308 N[C@H](CCO)c1ccccc1F Amb25970063 [0,2,0,0,0,0|0,0,0]=2 11159 B12R1.308 N[C@H](CCO)c1ccccc1I Amb27411983 [0,2,0,0,0,0|0,0,0]=2 11160 B12R1.308 N[C@H](CCO)c1cccnc1Br Amb27259290 [0,2,0,0,0,0|1,0,0]=3 11161 B12R1.308 N[C@H](CCO)c1cccnc1Cl Amb27448311 [0,2,0,0,0,0|1,0,0]=3 11162 B12R1.308 N[C@H](CCO)c1ccncc1Cl Amb27857167 [0,2,0,0,0,0|1,0,0]=3 11163 B12R1.308 N[C@H](CCO)c1ccncc1F Amb25761821 [0,2,0,0,0,0|1,0,0]=3 11164 B12R1.308 N[C@H](CCO)c1ccncc1O Amb28397828 [0,2,0,0,0,0|1,0,0]=3 11165 B12R1.308 Nc1ccccc1C(N)CCO Amb22235813 [0,2,0,0,0,0|0,0,0]=2 11166 B12R1.308 Nc1ccccc1[C@@H](N)CCO Amb8631341 [0,2,0,0,0,0|0,0,0]=2 11167 B12R1.308 Nc1ccncc1[C@H](N)CCO Amb27175330 [0,2,0,0,0,0|1,0,0]=3 11168 B12R1.308 Nc1cnccc1[C@@H](N)CCO Amb28067761 [0,2,0,0,0,0|1,0,0]=3 11169 B12R1.308 Nc1ncccc1C(N)CCO Amb28365610 [0,2,0,0,0,0|1,0,0]=3 11170 B12R1.308 Nc1ncccc1C(O)CCO Amb32669081 [0,2,0,0,0,0|1,0,0]=3 11171 B12R1.308 Nc1ncccc1[C@@H](N)CCO Amb27595974 [0,2,0,0,0,0|1,0,0]=3 11172 B12R1.308 O=C(CCBr)c1ccccc1Br Amb24695292 [0,2,0,0,0,0|1,0,1]=4 11173 B12R1.308 O=C(CCBr)c1ccccc1I Amb24696334 [0,2,0,0,0,0|1,0,1]=4 11174 B12R1.308 O=C(CCBr)c1ccccc1O Amb28322327 [0,2,0,0,0,0|1,0,1]=4 11175 B12R1.308 O=C(CCCl)c1ccccc1Cl Amb22229247 [0,2,0,0,0,0|1,0,1]=4 11176 B12R1.308 O=C(CCCl)c1ccccc1F Amb6301804 [0,2,0,0,0,0|1,0,1]=4 11177 B12R1.308 O=C(CCCl)c1ccccc1I Amb25796603 [0,2,0,0,0,0|1,0,1]=4 11178 B12R1.308 O=C(CCCl)c1ccccc1O Amb27470727 [0,2,0,0,0,0|1,0,1]=4 11179 B12R1.308 O=C(CCF)c1ccccc1Br Amb16231892 [0,2,0,0,0,0|1,0,1]=4 11180 B12R1.308 O=C(CCO)c1ccccc1Cl Amb27653159 [0,2,0,0,0,0|0,0,1]=3 11181 B12R1.308 O=C(CCO)c1ccccc1F Amb25159895 [0,2,0,0,0,0|0,0,1]=3 11182 B12R1.308 O=C(CCO)c1ccccc1O Amb27234354 [0,2,0,0,0,0|0,0,1]=3 11183 B12R1.308 O=C(NCO)c1ccccc1F Amb2793599 [0,2,0,0,0,0|1,0,1]=4 11184 B12R1.308 O=C(NCO)c1ccccc1O Amb6358947 [0,2,0,0,0,0|1,0,1]=4 11185 B12R1.308 O=CCC(O)c1ccccc1F Amb27947440 [0,2,0,0,0,0|0,0,2]=4 11186 B12R1.308 OCCC(F)c1ccccc1Br Amb27421489 [0,2,0,0,0,0|0,0,0]=2 11187 B12R1.308 OCCC(O)c1ccccc1Br Amb24668754 [0,2,0,0,0,0|0,0,0]=2 11188 B12R1.308 OCCC(O)c1ccccc1Cl Amb25275717 [0,2,0,0,0,0|0,0,0]=2 11189 B12R1.308 OCCC(O)c1cccnc1Cl Amb22298357 [0,2,0,0,0,0|1,0,0]=3 11190 B12R1.308 ONCC(O)c1ccccc1Cl Amb17335947 [0,2,0,0,0,0|1,0,0]=3 11191 B12R1.308 ONCC(O)c1ccccc1F Amb17334837 [0,2,0,0,0,0|1,0,0]=3 11192 B12R1.308 [C-]#[N+]CC(F)c1ccccc1F Amb27638289 [0,2,0,0,0,0|2,0,0]=4 11193 B12R1.25 BrCCCc1cccc(Br)c1I Amb26532847 [0,2,0,0,0,0|1,0,0]=3 11194 B12R1.25 BrCCCc1cccc(I)c1Br Amb26907784 [0,2,0,0,0,0|1,0,0]=3 11195 B12R1.25 C#CCCc1cccc(Br)c1C Amb33477272 [0,2,0,0,0,0|1,0,1]=4 11196 B12R1.25 C#CCCc1cccc(Br)c1F Amb33386955 [0,2,0,0,0,0|1,0,1]=4 11197 B12R1.25 C#CCCc1cccc(Br)c1O Amb33332586 [0,2,0,0,0,0|1,0,1]=4 11198 B12R1.25 C#CCCc1cccc(C)c1C Amb33314566 [0,2,0,0,0,0|1,0,1]=4 11199 B12R1.25 C#CCCc1cccc(C)c1F Amb33324251 [0,2,0,0,0,0|1,0,1]=4 11200 B12R1.25 C#CCCc1cccc(Cl)c1Cl Amb33485141 [0,2,0,0,0,0|1,0,1]=4 11201 B12R1.25 C#CCCc1cccc(Cl)c1F Amb33223294 [0,2,0,0,0,0|1,0,1]=4 11202 B12R1.25 C#CCCc1cccc(Cl)c1O Amb33057230 [0,2,0,0,0,0|1,0,1]=4 11203 B12R1.25 C#CCCc1cccc(F)c1Br Amb33386499 [0,2,0,0,0,0|1,0,1]=4 11204 B12R1.25 C#CCCc1cccc(F)c1C Amb33428344 [0,2,0,0,0,0|1,0,1]=4 11205 B12R1.25 C#CCCc1cccc(F)c1F Amb33427379 [0,2,0,0,0,0|1,0,1]=4 11206 B12R1.25 C#CCCc1cccc(F)c1O Amb33310821 [0,2,0,0,0,0|1,0,1]=4 11207 B12R1.25 C#CCCc1cccc(O)c1Br Amb33386900 [0,2,0,0,0,0|1,0,1]=4 11208 B12R1.25 C#CCCc1cccc(O)c1O Amb33268076 [0,2,0,0,0,0|1,0,1]=4 11209 B12R1.25 C=CCCc1cccc(Br)c1F Amb35715387 [0,2,0,0,0,0|1,0,1]=4 11210 B12R1.25 C=CCCc1cccc(C)c1C Amb30012802 [0,2,0,0,0,0|1,0,1]=4 11211 B12R1.25 C=CCCc1cccc(C)c1F Amb27461509 [0,2,0,0,0,0|1,0,1]=4 11212 B12R1.25 CC1=CC=CN(CCCN)C1=O Amb18535491 [0,2,0,0,0,0|2,0,0]=4 11213 B12R1.25 CC1=CC=CN(CCCO)C1=O Amb18041290 [0,2,0,0,0,0|1,0,0]=3 11214 B12R1.25 CCCCC1=C(N)C(=O)NC=C1 Amb32943650 [0,2,0,0,0,0|2,0,0]=4 11215 B12R1.25 CCCCN1C=CC=C(C)C1=O Amb18405639 [0,2,0,0,0,0|2,0,0]=4 11216 B12R1.25 CCCCN1C=CC=C(N)C1=O Amb18986286 [0,2,0,0,0,0|2,0,0]=4 11217 B12R1.25 CCCCN1C=CC=C(O)C1=O Amb27202010 [0,2,0,0,0,0|2,0,0]=4 11218 B12R1.25 CCCCc1cccc(F)c1F Amb27475766 [0,2,0,0,0,0|1,0,0]=3 11219 B12R1.25 CCCCc1cccc(N)c1F Amb29869565 [0,2,0,0,0,0|1,0,0]=3 11220 B12R1.25 CCCCc1nccc(C)c1N Amb25160013 [0,2,0,0,0,0|2,0,0]=4 11221 B12R1.25 CCCNc1cccc(Br)c1Cl Amb29865088 [0,2,0,0,0,0|2,0,0]=4 11222 B12R1.25 CCCNc1cccc(Br)c1F Amb35642859 [0,2,0,0,0,0|2,0,0]=4 11223 B12R1.25 CCCNc1cccc(C)c1C Amb6700736 [0,2,0,0,0,0|2,0,0]=4 11224 B12R1.25 CCCNc1cccc(C)c1O Amb27751740 [0,2,0,0,0,0|2,0,0]=4 11225 B12R1.25 CCCNc1cccc(Cl)c1C Amb4313518 [0,2,0,0,0,0|2,0,0]=4 11226 B12R1.25 CCCNc1cccc(Cl)c1Cl Amb33329381 [0,2,0,0,0,0|2,0,0]=4 11227 B12R1.25 CCCNc1cccc(Cl)c1Cl Amb6631952 [0,2,0,0,0,0|2,0,0]=4 11228 B12R1.25 CCCNc1cccc(F)c1Cl Amb29864394 [0,2,0,0,0,0|2,0,0]=4 11229 B12R1.25 CCCNc1cccc(F)c1I Amb27591891 [0,2,0,0,0,0|2,0,0]=4 11230 B12R1.25 CCCNc1cccc(F)c1N Amb18968033 [0,2,0,0,0,0|2,0,0]=4 11231 B12R1.25 CCCNc1cccc(I)c1C Amb27760819 [0,2,0,0,0,0|2,0,0]=4 11232 B12R1.25 CCCOc1cccc(Br)c1N Amb24406179 [0,2,0,0,0,0|2,0,0]=4 11233 B12R1.25 CCCOc1cccc(C)c1C Amb25051268 [0,2,0,0,0,0|2,0,0]=4 11234 B12R1.25 CCCOc1cccc(C)c1Cl Amb28064846 [0,2,0,0,0,0|2,0,0]=4 11235 B12R1.25 CCCOc1cccc(C)c1I Amb33512236 [0,2,0,0,0,0|2,0,0]=4 11236 B12R1.25 CCCOc1cccc(C)c1N Amb9296663 [0,2,0,0,0,0|2,0,0]=4 11237 B12R1.25 CCCOc1cccc(Cl)c1Cl Amb27840687 [0,2,0,0,0,0|2,0,0]=4 11238 B12R1.25 CCCOc1cccc(Cl)c1F Amb27449039 [0,2,0,0,0,0|2,0,0]=4 11239 B12R1.25 CCCOc1cccc(Cl)c1N Amb26398550 [0,2,0,0,0,0|2,0,0]=4 11240 B12R1.25 CCCOc1cccc(F)c1F Amb10839414 [0,2,0,0,0,0|2,0,0]=4 11241 B12R1.25 CCCOc1cccc(F)c1N Amb18288907 [0,2,0,0,0,0|2,0,0]=4 11242 B12R1.25 CCCOc1cccc(N)c1C Amb9296464 [0,2,0,0,0,0|2,0,0]=4 11243 B12R1.25 CCCOc1cccc(N)c1N Amb28243820 [0,2,0,0,0,0|2,0,0]=4 11244 B12R1.25 CCCOc1cccc(O)c1F Amb28344026 [0,2,0,0,0,0|2,0,0]=4 11245 B12R1.25 CCCOc1cccc(O)c1N Amb27849945 [0,2,0,0,0,0|2,0,0]=4 11246 B12R1.25 CCCOc1cccc(O)c1O Amb25092908 [0,2,0,0,0,0|2,0,0]=4 11247 B12R1.25 CCCOc1cccc(S)c1N Amb18271336 [0,2,0,0,0,0|2,0,0]=4 11248 B12R1.25 CCCSc1cccc(C)c1N Amb27608036 [0,2,0,0,0,0|2,0,0]=4 11249 B12R1.25 CCNCc1cccc(Br)c1C Amb27478890 [0,2,0,0,0,0|2,0,0]=4 11250 B12R1.25 CCNCc1cccc(Br)c1Cl Amb27776414 [0,2,0,0,0,0|2,0,0]=4 11251 B12R1.25 CCNCc1cccc(Br)c1F Amb26392490 [0,2,0,0,0,0|2,0,0]=4 11252 B12R1.25 CCNCc1cccc(C)c1Cl Amb28243839 [0,2,0,0,0,0|2,0,0]=4 11253 B12R1.25 CCNCc1cccc(C)c1F Amb28201346 [0,2,0,0,0,0|2,0,0]=4 11254 B12R1.25 CCNCc1cccc(Cl)c1Cl Amb6276353 [0,2,0,0,0,0|2,0,0]=4 11255 B12R1.25 CCNCc1cccc(F)c1O Amb28144401 [0,2,0,0,0,0|2,0,0]=4 11256 B12R1.25 CCNCc1cccc(N)c1F Amb28341326 [0,2,0,0,0,0|2,0,0]=4 11257 B12R1.25 CCNCc1cccc(O)c1Br Amb28121432 [0,2,0,0,0,0|2,0,0]=4 11258 B12R1.25 CCNCc1cccc(O)c1O Amb18291189 [0,2,0,0,0,0|2,0,0]=4 11259 B12R1.25 CCOCc1cccc(N)c1F Amb27227479 [0,2,0,0,0,0|2,0,0]=4 11260 B12R1.25 CN1C=CC=C(CCCO)C1=O Amb27651747 [0,2,0,0,0,0|1,0,0]=3 11261 B12R1.25 CNCCc1cccc(Br)c1C Amb25953673 [0,2,0,0,0,0|2,0,0]=4 11262 B12R1.25 CNCCc1cccc(Br)c1Cl Amb26883787 [0,2,0,0,0,0|2,0,0]=4 11263 B12R1.25 CNCCc1cccc(Br)c1F Amb25159686 [0,2,0,0,0,0|2,0,0]=4 11264 B12R1.25 CNCCc1cccc(Br)c1O Amb33332266 [0,2,0,0,0,0|2,0,0]=4 11265 B12R1.25 CNCCc1cccc(C)c1Br Amb26386551 [0,2,0,0,0,0|2,0,0]=4 11266 B12R1.25 CNCCc1cccc(C)c1C Amb18993611 [0,2,0,0,0,0|2,0,0]=4 11267 B12R1.25 CNCCc1cccc(C)c1Cl Amb27450779 [0,2,0,0,0,0|2,0,0]=4 11268 B12R1.25 CNCCc1cccc(C)c1F Amb25069543 [0,2,0,0,0,0|2,0,0]=4 11269 B12R1.25 CNCCc1cccc(Cl)c1Br Amb25953995 [0,2,0,0,0,0|2,0,0]=4 11270 B12R1.25 CNCCc1cccc(Cl)c1C Amb26358504 [0,2,0,0,0,0|2,0,0]=4 11271 B12R1.25 CNCCc1cccc(Cl)c1Cl Amb24460400 [0,2,0,0,0,0|2,0,0]=4 11272 B12R1.25 CNCCc1cccc(Cl)c1F Amb24407330 [0,2,0,0,0,0|2,0,0]=4 11273 B12R1.25 CNCCc1cccc(Cl)c1O Amb33056864 [0,2,0,0,0,0|2,0,0]=4 11274 B12R1.25 CNCCc1cccc(F)c1Br Amb25291460 [0,2,0,0,0,0|2,0,0]=4 11275 B12R1.25 CNCCc1cccc(F)c1C Amb27615200 [0,2,0,0,0,0|2,0,0]=4 11276 B12R1.25 CNCCc1cccc(F)c1Cl Amb27980761 [0,2,0,0,0,0|2,0,0]=4 11277 B12R1.25 CNCCc1cccc(F)c1F Amb18993051 [0,2,0,0,0,0|2,0,0]=4 11278 B12R1.25 CNCCc1cccc(F)c1O Amb28139875 [0,2,0,0,0,0|2,0,0]=4 11279 B12R1.25 CNCCc1cccc(O)c1Br Amb25331885 [0,2,0,0,0,0|2,0,0]=4 11280 B12R1.25 CNCCc1cccc(O)c1C Amb28061617 [0,2,0,0,0,0|2,0,0]=4 11281 B12R1.25 CNCCc1cccc(O)c1Cl Amb24497424 [0,2,0,0,0,0|2,0,0]=4 11282 B12R1.25 CNCCc1cccc(O)c1F Amb25080086 [0,2,0,0,0,0|2,0,0]=4 11283 B12R1.25 CNCCc1cccc(O)c1O Amb24664300 [0,2,0,0,0,0|2,0,0]=4 11284 B12R1.25 COCCc1cccc(C)c1F Amb27586192 [0,2,0,0,0,0|2,0,0]=4 11285 B12R1.25 Cc1c(Br)cccc1CCC#N Amb26616078 [0,2,0,0,0,0|1,0,1]=4 11286 B12R1.25 Cc1c(Br)cccc1CCC=O Amb26607997 [0,2,0,0,0,0|0,0,2]=4 11287 B12R1.25 Cc1c(Br)cccc1CCCBr Amb26532697 [0,2,0,0,0,0|1,0,0]=3 11288 B12R1.25 Cc1c(Br)cccc1CCCCl Amb24579173 [0,2,0,0,0,0|1,0,0]=3 11289 B12R1.25 Cc1c(Br)cccc1CCCN Amb27953077 [0,2,0,0,0,0|1,0,0]=3 11290 B12R1.25 Cc1c(Br)cccc1CCCO Amb32950654 [0,2,0,0,0,0|0,0,0]=2 11291 B12R1.25 Cc1c(Br)cccc1CCCS Amb33478017 [0,2,0,0,0,0|0,1,0]=3 11292 B12R1.25 Cc1c(Br)cccc1CCON Amb33476889 [0,2,0,0,0,0|2,0,0]=4 11293 B12R1.25 Cc1c(Br)cccc1OCCN Amb24395348 [0,2,0,0,0,0|2,0,0]=4 11294 B12R1.25 Cc1c(Br)cccc1SCCO Amb26340906 [0,2,0,0,0,0|1,0,0]=3 11295 B12R1.25 Cc1c(Br)cccc1\C=C\CO Amb33476888 [0,2,0,0,0,0|0,0,2]=4 11296 B12R1.25 Cc1c(Cl)cccc1C#CCO Amb26996512 [0,2,0,0,0,0|0,0,2]=4 11297 B12R1.25 Cc1c(Cl)cccc1CCC#N Amb17204322 [0,2,0,0,0,0|1,0,1]=4 11298 B12R1.25 Cc1c(Cl)cccc1CCC=O Amb18564226 [0,2,0,0,0,0|0,0,2]=4 11299 B12R1.25 Cc1c(Cl)cccc1CCCBr Amb26914994 [0,2,0,0,0,0|1,0,0]=3 11300 B12R1.25 Cc1c(Cl)cccc1CCCCl Amb26444908 [0,2,0,0,0,0|1,0,0]=3 11301 B12R1.25 Cc1c(Cl)cccc1CCCN Amb17204335 [0,2,0,0,0,0|1,0,0]=3 11302 B12R1.25 Cc1c(Cl)cccc1NCCCl Amb17338051 [0,2,0,0,0,0|2,0,0]=4 11303 B12R1.25 Cc1c(Cl)cccc1NCCN Amb17091057 [0,2,0,0,0,0|2,0,0]=4 11304 B12R1.25 Cc1c(Cl)cccc1NCCO Amb6709042 [0,2,0,0,0,0|1,0,0]=3 11305 B12R1.25 Cc1c(Cl)cccc1OCCN Amb24454848 [0,2,0,0,0,0|2,0,0]=4 11306 B12R1.25 Cc1c(Cl)cccc1\C=C\CO Amb26883887 [0,2,0,0,0,0|0,0,2]=4 11307 B12R1.25 Cc1c(Cl)cncc1NCCO Amb35706639 [0,2,0,0,0,0|2,0,0]=4 11308 B12R1.25 Cc1c(F)cccc1CCC#N Amb25224723 [0,2,0,0,0,0|1,0,1]=4 11309 B12R1.25 Cc1c(F)cccc1CCC=O Amb25299267 [0,2,0,0,0,0|0,0,2]=4 11310 B12R1.25 Cc1c(F)cccc1CCCBr Amb27423786 [0,2,0,0,0,0|1,0,0]=3 11311 B12R1.25 Cc1c(F)cccc1CCCN Amb23442800 [0,2,0,0,0,0|1,0,0]=3 11312 B12R1.25 Cc1c(F)cccc1CCCO Amb23590885 [0,2,0,0,0,0|0,0,0]=2 11313 B12R1.25 Cc1c(F)cccc1CCCS Amb33428040 [0,2,0,0,0,0|0,1,0]=3 11314 B12R1.25 Cc1c(F)cccc1CCON Amb33372390 [0,2,0,0,0,0|2,0,0]=4 11315 B12R1.25 Cc1c(F)cccc1NCCN Amb18251978 [0,2,0,0,0,0|2,0,0]=4 11316 B12R1.25 Cc1c(F)cccc1NCCO Amb18980394 [0,2,0,0,0,0|1,0,0]=3 11317 B12R1.25 Cc1c(F)cccc1OCCN Amb27213694 [0,2,0,0,0,0|2,0,0]=4 11318 B12R1.25 Cc1c(F)cccc1\C=C\CO Amb32953976 [0,2,0,0,0,0|0,0,2]=4 11319 B12R1.25 Cc1c(I)cccc1CCC#N Amb27787485 [0,2,0,0,0,0|1,0,1]=4 11320 B12R1.25 Cc1c(I)cccc1CCCBr Amb27423171 [0,2,0,0,0,0|1,0,0]=3 11321 B12R1.25 Cc1c(I)cccc1CCCCl Amb27258155 [0,2,0,0,0,0|1,0,0]=3 11322 B12R1.25 Cc1c(N)cccc1CCC#N Amb28196149 [0,2,0,0,0,0|1,0,1]=4 11323 B12R1.25 Cc1c(N)cccc1CCC=O Amb27624875 [0,2,0,0,0,0|0,0,2]=4 11324 B12R1.25 Cc1c(N)cccc1CCCBr Amb27616071 [0,2,0,0,0,0|1,0,0]=3 11325 B12R1.25 Cc1c(N)cccc1CCCCl Amb26057433 [0,2,0,0,0,0|1,0,0]=3 11326 B12R1.25 Cc1c(N)cccc1OCCCl Amb27831404 [0,2,0,0,0,0|2,0,0]=4 11327 B12R1.25 Cc1c(N)cccc1OCCF Amb25238113 [0,2,0,0,0,0|2,0,0]=4 11328 B12R1.25 Cc1c(N)cccc1SCCF Amb28383268 [0,2,0,0,0,0|2,0,0]=4 11329 B12R1.25 Cc1c(N)cccc1SCCN Amb28046202 [0,2,0,0,0,0|2,0,0]=4 11330 B12R1.25 Cc1c(O)cccc1CCC=O Amb27199497 [0,2,0,0,0,0|0,0,2]=4 11331 B12R1.25 Cc1c(O)cccc1CCCBr Amb28198936 [0,2,0,0,0,0|1,0,0]=3 11332 B12R1.25 Cc1c(O)cccc1CCCCl Amb26617886 [0,2,0,0,0,0|1,0,0]=3 11333 B12R1.25 Cc1c(O)cccc1CCCN Amb27641492 [0,2,0,0,0,0|1,0,0]=3 11334 B12R1.25 Cc1c(S)cccc1CCC=O Amb27623403 [0,2,0,0,0,0|0,0,2]=4 11335 B12R1.25 Cc1c(S)cccc1CCCCl Amb26617895 [0,2,0,0,0,0|1,0,0]=3 11336 B12R1.25 Cc1cccc(CCC#N)c1Br Amb28188208 [0,2,0,0,0,0|1,0,1]=4 11337 B12R1.25 Cc1cccc(CCC#N)c1C Amb17204304 [0,2,0,0,0,0|1,0,1]=4 11338 B12R1.25 Cc1cccc(CCC#N)c1Cl Amb25922219 [0,2,0,0,0,0|1,0,1]=4 11339 B12R1.25 Cc1cccc(CCC#N)c1F Amb26582339 [0,2,0,0,0,0|1,0,1]=4 11340 B12R1.25 Cc1cccc(CCC#N)c1I Amb27230837 [0,2,0,0,0,0|1,0,1]=4 11341 B12R1.25 Cc1cccc(CCC=O)c1Br Amb24532658 [0,2,0,0,0,0|0,0,2]=4 11342 B12R1.25 Cc1cccc(CCC=O)c1C Amb18563554 [0,2,0,0,0,0|0,0,2]=4 11343 B12R1.25 Cc1cccc(CCC=O)c1Cl Amb26880111 [0,2,0,0,0,0|0,0,2]=4 11344 B12R1.25 Cc1cccc(CCC=O)c1F Amb24093002 [0,2,0,0,0,0|0,0,2]=4 11345 B12R1.25 Cc1cccc(CCC=O)c1I Amb28251276 [0,2,0,0,0,0|0,0,2]=4 11346 B12R1.25 Cc1cccc(CCC=O)c1N Amb27847134 [0,2,0,0,0,0|0,0,2]=4 11347 B12R1.25 Cc1cccc(CCCBr)c1Br Amb25248971 [0,2,0,0,0,0|1,0,0]=3 11348 B12R1.25 Cc1cccc(CCCBr)c1C Amb26621550 [0,2,0,0,0,0|1,0,0]=3 11349 B12R1.25 Cc1cccc(CCCBr)c1Cl Amb25922221 [0,2,0,0,0,0|1,0,0]=3 11350 B12R1.25 Cc1cccc(CCCBr)c1F Amb27200488 [0,2,0,0,0,0|1,0,0]=3 11351 B12R1.25 Cc1cccc(CCCBr)c1I Amb28133805 [0,2,0,0,0,0|1,0,0]=3 11352 B12R1.25 Cc1cccc(CCCBr)c1N Amb27624874 [0,2,0,0,0,0|1,0,0]=3 11353 B12R1.25 Cc1cccc(CCCBr)c1O Amb25269813 [0,2,0,0,0,0|1,0,0]=3 11354 B12R1.25 Cc1cccc(CCCBr)c1S Amb25195138 [0,2,0,0,0,0|1,0,0]=3 11355 B12R1.25 Cc1cccc(CCCCl)c1C Amb25862381 [0,2,0,0,0,0|1,0,0]=3 11356 B12R1.25 Cc1cccc(CCCCl)c1Cl Amb24656579 [0,2,0,0,0,0|1,0,0]=3 11357 B12R1.25 Cc1cccc(CCCCl)c1F Amb27438334 [0,2,0,0,0,0|1,0,0]=3 11358 B12R1.25 Cc1cccc(CCCCl)c1I Amb26989872 [0,2,0,0,0,0|1,0,0]=3 11359 B12R1.25 Cc1cccc(CCCCl)c1N Amb26644373 [0,2,0,0,0,0|1,0,0]=3 11360 B12R1.25 Cc1cccc(CCCCl)c1S Amb27793916 [0,2,0,0,0,0|1,0,0]=3 11361 B12R1.25 Cc1cccc(CCCN)c1Br Amb28127011 [0,2,0,0,0,0|1,0,0]=3 11362 B12R1.25 Cc1cccc(CCCN)c1C Amb17204309 [0,2,0,0,0,0|1,0,0]=3 11363 B12R1.25 Cc1cccc(CCCN)c1Cl Amb25677548 [0,2,0,0,0,0|1,0,0]=3 11364 B12R1.25 Cc1cccc(CCCN)c1F Amb25135172 [0,2,0,0,0,0|1,0,0]=3 11365 B12R1.25 Cc1cccc(CCCN)c1O Amb27809091 [0,2,0,0,0,0|1,0,0]=3 11366 B12R1.25 Cc1cccc(CCCO)c1Br Amb25159971 [0,2,0,0,0,0|0,0,0]=2 11367 B12R1.25 Cc1cccc(CCCO)c1C Amb23537989 [0,2,0,0,0,0|0,0,0]=2 11368 B12R1.25 Cc1cccc(CCCO)c1F Amb26487243 [0,2,0,0,0,0|0,0,0]=2 11369 B12R1.25 Cc1cccc(CCCO)c1O Amb24671286 [0,2,0,0,0,0|0,0,0]=2 11370 B12R1.25 Cc1cccc(CCCS)c1C Amb33314450 [0,2,0,0,0,0|0,1,0]=3 11371 B12R1.25 Cc1cccc(CCCS)c1F Amb33324234 [0,2,0,0,0,0|0,1,0]=3 11372 B12R1.25 Cc1cccc(CCNN)c1C Amb17400169 [0,2,0,0,0,0|2,0,0]=4 11373 B12R1.25 Cc1cccc(CCON)c1C Amb33197958 [0,2,0,0,0,0|2,0,0]=4 11374 B12R1.25 Cc1cccc(CCON)c1F Amb33325035 [0,2,0,0,0,0|2,0,0]=4 11375 B12R1.25 Cc1cccc(NCCCl)c1C Amb17335666 [0,2,0,0,0,0|2,0,0]=4 11376 B12R1.25 Cc1cccc(NCCF)c1C Amb27263424 [0,2,0,0,0,0|2,0,0]=4 11377 B12R1.25 Cc1cccc(NCCN)c1C Amb17091054 [0,2,0,0,0,0|2,0,0]=4 11378 B12R1.25 Cc1cccc(NCCN)c1N Amb27258743 [0,2,0,0,0,0|2,0,0]=4 11379 B12R1.25 Cc1cccc(NCCO)c1Br Amb25046066 [0,2,0,0,0,0|1,0,0]=3 11380 B12R1.25 Cc1cccc(NCCO)c1C Amb6714046 [0,2,0,0,0,0|1,0,0]=3 11381 B12R1.25 Cc1cccc(OCCBr)c1C Amb6267787 [0,2,0,0,0,0|2,0,0]=4 11382 B12R1.25 Cc1cccc(OCCCl)c1C Amb9209774 [0,2,0,0,0,0|2,0,0]=4 11383 B12R1.25 Cc1cccc(OCCCl)c1F Amb27813908 [0,2,0,0,0,0|2,0,0]=4 11384 B12R1.25 Cc1cccc(OCCF)c1I Amb33512381 [0,2,0,0,0,0|2,0,0]=4 11385 B12R1.25 Cc1cccc(OCCF)c1N Amb24487580 [0,2,0,0,0,0|2,0,0]=4 11386 B12R1.25 Cc1cccc(OCCN)c1Br Amb26457225 [0,2,0,0,0,0|2,0,0]=4 11387 B12R1.25 Cc1cccc(OCCN)c1C Amb1138513 [0,2,0,0,0,0|2,0,0]=4 11388 B12R1.25 Cc1cccc(OCCN)c1Cl Amb24447813 [0,2,0,0,0,0|2,0,0]=4 11389 B12R1.25 Cc1cccc(OCCN)c1F Amb26028532 [0,2,0,0,0,0|2,0,0]=4 11390 B12R1.25 Cc1cccc(OCCO)c1C Amb9370634 [0,2,0,0,0,0|1,0,0]=3 11391 B12R1.25 Cc1cccc(OCCO)c1I Amb33512239 [0,2,0,0,0,0|1,0,0]=3 11392 B12R1.25 Cc1cccc(OCCO)c1N Amb9296605 [0,2,0,0,0,0|1,0,0]=3 11393 B12R1.25 Cc1cccc(OCCS)c1C Amb17233945 [0,2,0,0,0,0|1,1,0]=4 11394 B12R1.25 Cc1cccc(SCCF)c1N Amb27194312 [0,2,0,0,0,0|2,0,0]=4 11395 B12R1.25 Cc1cccc(SCCO)c1N Amb28397582 [0,2,0,0,0,0|1,0,0]=3 11396 B12R1.25 Cc1cccc(\C=C\CO)c1C Amb25139939 [0,2,0,0,0,0|0,0,2]=4 11397 B12R1.25 Cc1cccc(\C=C\CO)c1F Amb33080305 [0,2,0,0,0,0|0,0,2]=4 11398 B12R1.25 Cc1ccnc(CCCN)c1C Amb27464615 [0,2,0,0,0,0|2,0,0]=4 11399 B12R1.25 Cc1ccnc(CCCN)c1Cl Amb27950984 [0,2,0,0,0,0|2,0,0]=4 11400 B12R1.25 Cc1ccnc(NCCO)c1N Amb17213619 [0,2,0,0,0,0|2,0,0]=4 11401 B12R1.25 Cc1ccnc(OCCO)c1N Amb24414249 [0,2,0,0,0,0|2,0,0]=4 11402 B12R1.25 Cc1nccc(CCCN)c1C Amb26470936 [0,2,0,0,0,0|2,0,0]=4 11403 B12R1.25 Cc1nccc(CCCN)c1C Amb33299467 [0,2,0,0,0,0|2,0,0]=4 11404 B12R1.25 ClCCCc1cccc(Br)c1Br Amb26645554 [0,2,0,0,0,0|1,0,0]=3 11405 B12R1.25 ClCCCc1cccc(Br)c1Cl Amb26424047 [0,2,0,0,0,0|1,0,0]=3 11406 B12R1.25 ClCCCc1cccc(Cl)c1Br Amb28323419 [0,2,0,0,0,0|1,0,0]=3 11407 B12R1.25 ClCCCc1cccc(Cl)c1Cl Amb24367464 [0,2,0,0,0,0|1,0,0]=3 11408 B12R1.25 ClCCCc1cccc(I)c1Br Amb25208583 [0,2,0,0,0,0|1,0,0]=3 11409 B12R1.25 ClCCNc1cccc(Cl)c1Cl Amb17343166 [0,2,0,0,0,0|2,0,0]=4 11410 B12R1.25 ClCCOc1cccc(Cl)c1Cl Amb8828484 [0,2,0,0,0,0|2,0,0]=4 11411 B12R1.25 Clc1c(Br)cccc1CCCBr Amb26617921 [0,2,0,0,0,0|1,0,0]=3 11412 B12R1.25 Clc1cccc(CCCBr)c1Br Amb27192633 [0,2,0,0,0,0|1,0,0]=3 11413 B12R1.25 Clc1cccc(CCCBr)c1Cl Amb24730274 [0,2,0,0,0,0|1,0,0]=3 11414 B12R1.25 Clc1cccc(OCCBr)c1Cl Amb6279713 [0,2,0,0,0,0|2,0,0]=4 11415 B12R1.25 FCCNc1cccc(Br)c1Cl Amb35707465 [0,2,0,0,0,0|2,0,0]=4 11416 B12R1.25 FCCNc1cccc(Br)c1F Amb35649407 [0,2,0,0,0,0|2,0,0]=4 11417 B12R1.25 FCCNc1cccc(F)c1Cl Amb30016016 [0,2,0,0,0,0|2,0,0]=4 11418 B12R1.25 FCCOc1cccc(Cl)c1F Amb27479269 [0,2,0,0,0,0|2,0,0]=4 11419 B12R1.25 FCCOc1cccc(F)c1F Amb27765711 [0,2,0,0,0,0|2,0,0]=4 11420 B12R1.25 FCCOc1cccc(F)c1I Amb28204775 [0,2,0,0,0,0|2,0,0]=4 11421 B12R1.25 Fc1c(Br)cccc1CCCBr Amb27587461 [0,2,0,0,0,0|1,0,0]=3 11422 B12R1.25 Fc1c(Br)cccc1CCCCl Amb26328571 [0,2,0,0,0,0|1,0,0]=3 11423 B12R1.25 Fc1c(Br)cccc1CCCS Amb33387365 [0,2,0,0,0,0|0,1,0]=3 11424 B12R1.25 Fc1c(Cl)cccc1CCCBr Amb26066699 [0,2,0,0,0,0|1,0,0]=3 11425 B12R1.25 Fc1c(Cl)cccc1CCCCl Amb27148806 [0,2,0,0,0,0|1,0,0]=3 11426 B12R1.25 Fc1c(Cl)cccc1CCCS Amb33223264 [0,2,0,0,0,0|0,1,0]=3 11427 B12R1.25 Fc1c(Cl)cccc1OCCBr Amb27814112 [0,2,0,0,0,0|2,0,0]=4 11428 B12R1.25 Fc1c(Cl)cccc1OCCCl Amb28121439 [0,2,0,0,0,0|2,0,0]=4 11429 B12R1.25 Fc1c(I)cccc1CCCCl Amb27880875 [0,2,0,0,0,0|1,0,0]=3 11430 B12R1.25 Fc1c(S)cccc1CCCBr Amb27798714 [0,2,0,0,0,0|1,0,0]=3 11431 B12R1.25 Fc1c(S)cccc1CCCCl Amb27423556 [0,2,0,0,0,0|1,0,0]=3 11432 B12R1.25 Fc1cccc(CCCBr)c1Br Amb25039114 [0,2,0,0,0,0|1,0,0]=3 11433 B12R1.25 Fc1cccc(CCCBr)c1Cl Amb27978793 [0,2,0,0,0,0|1,0,0]=3 11434 B12R1.25 Fc1cccc(CCCBr)c1F Amb22001598 [0,2,0,0,0,0|1,0,0]=3 11435 B12R1.25 Fc1cccc(CCCBr)c1S Amb27423554 [0,2,0,0,0,0|1,0,0]=3 11436 B12R1.25 Fc1cccc(CCCCl)c1Br Amb24566065 [0,2,0,0,0,0|1,0,0]=3 11437 B12R1.25 Fc1cccc(CCCCl)c1Cl Amb28207499 [0,2,0,0,0,0|1,0,0]=3 11438 B12R1.25 Fc1cccc(CCCCl)c1F Amb19073202 [0,2,0,0,0,0|1,0,0]=3 11439 B12R1.25 Fc1cccc(CCCCl)c1I Amb27423482 [0,2,0,0,0,0|1,0,0]=3 11440 B12R1.25 Fc1cccc(CCCS)c1Br Amb33477648 [0,2,0,0,0,0|0,1,0]=3 11441 B12R1.25 Fc1cccc(CCCS)c1F Amb33427378 [0,2,0,0,0,0|0,1,0]=3 11442 B12R1.25 N#CCCc1cccc(Br)c1Br Amb27636532 [0,2,0,0,0,0|1,0,1]=4 11443 B12R1.25 N#CCCc1cccc(Br)c1F Amb26449245 [0,2,0,0,0,0|1,0,1]=4 11444 B12R1.25 N#CCCc1cccc(Br)c1O Amb24586533 [0,2,0,0,0,0|1,0,1]=4 11445 B12R1.25 N#CCCc1cccc(Cl)c1Cl Amb17204388 [0,2,0,0,0,0|1,0,1]=4 11446 B12R1.25 N#CCCc1cccc(Cl)c1F Amb26573506 [0,2,0,0,0,0|1,0,1]=4 11447 B12R1.25 N#CCCc1cccc(Cl)c1I Amb27623454 [0,2,0,0,0,0|1,0,1]=4 11448 B12R1.25 N#CCCc1cccc(Cl)c1O Amb27798929 [0,2,0,0,0,0|1,0,1]=4 11449 B12R1.25 N#CCCc1cccc(F)c1Br Amb25258746 [0,2,0,0,0,0|1,0,1]=4 11450 B12R1.25 N#CCCc1cccc(F)c1Cl Amb24751316 [0,2,0,0,0,0|1,0,1]=4 11451 B12R1.25 N#CCCc1cccc(F)c1F Amb6297120 [0,2,0,0,0,0|1,0,1]=4 11452 B12R1.25 N#CCCc1cccc(F)c1I Amb27798712 [0,2,0,0,0,0|1,0,1]=4 11453 B12R1.25 N#CCCc1cccc(F)c1N Amb27614015 [0,2,0,0,0,0|1,0,1]=4 11454 B12R1.25 N#CCCc1cccc(F)c1O Amb26005429 [0,2,0,0,0,0|1,0,1]=4 11455 B12R1.25 N#CCCc1cccc(I)c1Br Amb27796622 [0,2,0,0,0,0|1,0,1]=4 11456 B12R1.25 N#CCCc1cccc(I)c1Cl Amb27441436 [0,2,0,0,0,0|1,0,1]=4 11457 B12R1.25 N#CCCc1cccc(I)c1F Amb27263037 [0,2,0,0,0,0|1,0,1]=4 11458 B12R1.25 N#CCCc1cccc(I)c1O Amb27871536 [0,2,0,0,0,0|1,0,1]=4 11459 B12R1.25 N#CCCc1cccc(N)c1F Amb27442126 [0,2,0,0,0,0|1,0,1]=4 11460 B12R1.25 N#CCCc1cccc(N)c1I Amb28196503 [0,2,0,0,0,0|1,0,1]=4 11461 B12R1.25 N#CCCc1cccc(O)c1Br Amb27613857 [0,2,0,0,0,0|1,0,1]=4 11462 B12R1.25 N#CCCc1cccc(O)c1Cl Amb27963205 [0,2,0,0,0,0|1,0,1]=4 11463 B12R1.25 N#CCCc1cccc(O)c1F Amb27423547 [0,2,0,0,0,0|1,0,1]=4 11464 B12R1.25 N#CCCc1cccc(O)c1O Amb24497134 [0,2,0,0,0,0|1,0,1]=4 11465 B12R1.25 N#CCCc1cccc(O)c1S Amb27423584 [0,2,0,0,0,0|1,0,1]=4 11466 B12R1.25 NC1=C(SCCO)C=CNC1=O Amb35675786 [0,2,0,0,0,0|2,0,0]=4 11467 B12R1.25 NC1=CC=CN(CCCF)C1=O Amb26506694 [0,2,0,0,0,0|2,0,0]=4 11468 B12R1.25 NC1=CC=CN(CCCO)C1=O Amb18295572 [0,2,0,0,0,0|1,0,0]=3 11469 B12R1.25 NCCCN1C=CC=C(Br)C1=O Amb18040597 [0,2,0,0,0,0|2,0,0]=4 11470 B12R1.25 NCCCc1cccc(Br)c1Cl Amb26605865 [0,2,0,0,0,0|1,0,0]=3 11471 B12R1.25 NCCCc1cccc(Br)c1F Amb27450742 [0,2,0,0,0,0|1,0,0]=3 11472 B12R1.25 NCCCc1cccc(Br)c1O Amb25738591 [0,2,0,0,0,0|1,0,0]=3 11473 B12R1.25 NCCCc1cccc(Cl)c1Br Amb25320523 [0,2,0,0,0,0|1,0,0]=3 11474 B12R1.25 NCCCc1cccc(Cl)c1Cl Amb17204407 [0,2,0,0,0,0|1,0,0]=3 11475 B12R1.25 NCCCc1cccc(Cl)c1F Amb27768166 [0,2,0,0,0,0|1,0,0]=3 11476 B12R1.25 NCCCc1cccc(Cl)c1O Amb26940977 [0,2,0,0,0,0|1,0,0]=3 11477 B12R1.25 NCCCc1cccc(F)c1Br Amb25683566 [0,2,0,0,0,0|1,0,0]=3 11478 B12R1.25 NCCCc1cccc(F)c1Br Amb28465465 [0,2,0,0,0,0|1,0,0]=3 11479 B12R1.25 NCCCc1cccc(F)c1Cl Amb25957315 [0,2,0,0,0,0|1,0,0]=3 11480 B12R1.25 NCCCc1cccc(F)c1F Amb9524118 [0,2,0,0,0,0|1,0,0]=3 11481 B12R1.25 NCCCc1cccc(F)c1O Amb27251972 [0,2,0,0,0,0|1,0,0]=3 11482 B12R1.25 NCCCc1cccc(O)c1Br Amb27480867 [0,2,0,0,0,0|1,0,0]=3 11483 B12R1.25 NCCCc1cccc(O)c1Cl Amb26514553 [0,2,0,0,0,0|1,0,0]=3 11484 B12R1.25 NCCCc1cccc(O)c1F Amb25871603 [0,2,0,0,0,0|1,0,0]=3 11485 B12R1.25 NCCCc1cccc(O)c1O Amb24426748 [0,2,0,0,0,0|1,0,0]=3 11486 B12R1.25 NCCCc1cccc(O)c1O Amb34913247 [0,2,0,0,0,0|1,0,0]=3 11487 B12R1.25 NCCCc1ccnc(Cl)c1F Amb27600702 [0,2,0,0,0,0|2,0,0]=4 11488 B12R1.25 NCCCc1ccnc(Cl)c1O Amb27764302 [0,2,0,0,0,0|2,0,0]=4 11489 B12R1.25 NCCCc1ccnc(F)c1Cl Amb27867440 [0,2,0,0,0,0|2,0,0]=4 11490 B12R1.25 NCCCc1cncc(I)c1N Amb27667874 [0,2,0,0,0,0|2,0,0]=4 11491 B12R1.25 NCCCc1nccc(Cl)c1F Amb27451293 [0,2,0,0,0,0|2,0,0]=4 11492 B12R1.25 NCCCc1nccc(F)c1Cl Amb28253167 [0,2,0,0,0,0|2,0,0]=4 11493 B12R1.25 NCCNc1cccc(Br)c1Cl Amb29865108 [0,2,0,0,0,0|2,0,0]=4 11494 B12R1.25 NCCNc1cccc(Br)c1F Amb27869212 [0,2,0,0,0,0|2,0,0]=4 11495 B12R1.25 NCCNc1cccc(Cl)c1Cl Amb17091084 [0,2,0,0,0,0|2,0,0]=4 11496 B12R1.25 NCCNc1cccc(F)c1Cl Amb29864395 [0,2,0,0,0,0|2,0,0]=4 11497 B12R1.25 NCCNc1cccc(F)c1N Amb18991513 [0,2,0,0,0,0|2,0,0]=4 11498 B12R1.25 NCCOc1cccc(Br)c1F Amb25841484 [0,2,0,0,0,0|2,0,0]=4 11499 B12R1.25 NCCOc1cccc(Br)c1O Amb33332941 [0,2,0,0,0,0|2,0,0]=4 11500 B12R1.25 NCCOc1cccc(Cl)c1Br Amb24686813 [0,2,0,0,0,0|2,0,0]=4 11501 B12R1.25 NCCOc1cccc(Cl)c1Cl Amb10609908 [0,2,0,0,0,0|2,0,0]=4 11502 B12R1.25 NCCOc1cccc(Cl)c1Cl Amb5781216 [0,2,0,0,0,0|2,0,0]=4 11503 B12R1.25 NCCOc1cccc(Cl)c1F Amb25330890 [0,2,0,0,0,0|2,0,0]=4 11504 B12R1.25 NCCOc1cccc(Cl)c1O Amb33057243 [0,2,0,0,0,0|2,0,0]=4 11505 B12R1.25 NCCOc1cccc(F)c1Br Amb26345510 [0,2,0,0,0,0|2,0,0]=4 11506 B12R1.25 NCCOc1cccc(F)c1Cl Amb27162117 [0,2,0,0,0,0|2,0,0]=4 11507 B12R1.25 NCCOc1cccc(F)c1F Amb19002179 [0,2,0,0,0,0|2,0,0]=4 11508 B12R1.25 NCCOc1cccc(F)c1O Amb27211118 [0,2,0,0,0,0|2,0,0]=4 11509 B12R1.25 NCCOc1cccc(O)c1Br Amb33386872 [0,2,0,0,0,0|2,0,0]=4 11510 B12R1.25 NCCOc1cccc(O)c1O Amb33267631 [0,2,0,0,0,0|2,0,0]=4 11511 B12R1.25 NNCCc1cccc(Cl)c1Cl Amb24751331 [0,2,0,0,0,0|2,0,0]=4 11512 B12R1.25 NOCCc1cccc(Br)c1F Amb33387314 [0,2,0,0,0,0|2,0,0]=4 11513 B12R1.25 NOCCc1cccc(Br)c1O Amb33332290 [0,2,0,0,0,0|2,0,0]=4 11514 B12R1.25 NOCCc1cccc(Cl)c1Cl Amb33057740 [0,2,0,0,0,0|2,0,0]=4 11515 B12R1.25 NOCCc1cccc(Cl)c1F Amb33223012 [0,2,0,0,0,0|2,0,0]=4 11516 B12R1.25 NOCCc1cccc(Cl)c1O Amb33056896 [0,2,0,0,0,0|2,0,0]=4 11517 B12R1.25 NOCCc1cccc(F)c1Br Amb33450528 [0,2,0,0,0,0|2,0,0]=4 11518 B12R1.25 NOCCc1cccc(F)c1F Amb24497503 [0,2,0,0,0,0|2,0,0]=4 11519 B12R1.25 NOCCc1cccc(F)c1O Amb33310939 [0,2,0,0,0,0|2,0,0]=4 11520 B12R1.25 NOCCc1cccc(O)c1Br Amb33386795 [0,2,0,0,0,0|2,0,0]=4 11521 B12R1.25 NOCCc1cccc(O)c1O Amb33225044 [0,2,0,0,0,0|2,0,0]=4 11522 B12R1.25 Nc1c(Br)cccc1CCCBr Amb25270390 [0,2,0,0,0,0|1,0,0]=3 11523 B12R1.25 Nc1c(Br)cccc1CCCCl Amb28133088 [0,2,0,0,0,0|1,0,0]=3 11524 B12R1.25 Nc1c(Br)cccc1OCCF Amb32939661 [0,2,0,0,0,0|2,0,0]=4 11525 B12R1.25 Nc1c(Br)cccc1OCCO Amb25895050 [0,2,0,0,0,0|1,0,0]=3 11526 B12R1.25 Nc1c(Br)cccc1SCCO Amb28256155 [0,2,0,0,0,0|1,0,0]=3 11527 B12R1.25 Nc1c(Cl)cccc1NCCO Amb27642520 [0,2,0,0,0,0|1,0,0]=3 11528 B12R1.25 Nc1c(Cl)cccc1OCCO Amb25800609 [0,2,0,0,0,0|1,0,0]=3 11529 B12R1.25 Nc1c(F)cccc1CCCBr Amb27963212 [0,2,0,0,0,0|1,0,0]=3 11530 B12R1.25 Nc1c(F)cccc1CCCCl Amb27614020 [0,2,0,0,0,0|1,0,0]=3 11531 B12R1.25 Nc1c(F)cccc1NCCF Amb28422165 [0,2,0,0,0,0|2,0,0]=4 11532 B12R1.25 Nc1c(F)cccc1NCCO Amb18968044 [0,2,0,0,0,0|1,0,0]=3 11533 B12R1.25 Nc1c(F)cccc1OCCO Amb18968080 [0,2,0,0,0,0|1,0,0]=3 11534 B12R1.25 Nc1c(I)cccc1CCCBr Amb27634248 [0,2,0,0,0,0|1,0,0]=3 11535 B12R1.25 Nc1c(NCCO)ccnc1O Amb35669769 [0,2,0,0,0,0|2,0,0]=4 11536 B12R1.25 Nc1c(O)cccc1CCCBr Amb27963108 [0,2,0,0,0,0|1,0,0]=3 11537 B12R1.25 Nc1c(OCCO)ccnc1Cl Amb33035270 [0,2,0,0,0,0|2,0,0]=4 11538 B12R1.25 Nc1c(OCCO)ccnc1O Amb33035366 [0,2,0,0,0,0|2,0,0]=4 11539 B12R1.25 Nc1c(S)cccc1CCCBr Amb28199233 [0,2,0,0,0,0|1,0,0]=3 11540 B12R1.25 Nc1c(S)cccc1CCCCl Amb27633721 [0,2,0,0,0,0|1,0,0]=3 11541 B12R1.25 Nc1cccc(CCC=O)c1N Amb27246821 [0,2,0,0,0,0|0,0,2]=4 11542 B12R1.25 Nc1cccc(CCC=O)c1O Amb27215519 [0,2,0,0,0,0|0,0,2]=4 11543 B12R1.25 Nc1cccc(CCCBr)c1Br Amb27793936 [0,2,0,0,0,0|1,0,0]=3 11544 B12R1.25 Nc1cccc(CCCBr)c1F Amb27851682 [0,2,0,0,0,0|1,0,0]=3 11545 B12R1.25 Nc1cccc(CCCBr)c1N Amb27209374 [0,2,0,0,0,0|1,0,0]=3 11546 B12R1.25 Nc1cccc(CCCBr)c1S Amb27846982 [0,2,0,0,0,0|1,0,0]=3 11547 B12R1.25 Nc1cccc(CCCCl)c1Br Amb26023355 [0,2,0,0,0,0|1,0,0]=3 11548 B12R1.25 Nc1cccc(CCCCl)c1F Amb27193834 [0,2,0,0,0,0|1,0,0]=3 11549 B12R1.25 Nc1cccc(CCCCl)c1S Amb28208570 [0,2,0,0,0,0|1,0,0]=3 11550 B12R1.25 Nc1cccc(OCCO)c1Br Amb28434490 [0,2,0,0,0,0|1,0,0]=3 11551 B12R1.25 Nc1cccc(SCCO)c1N Amb27394266 [0,2,0,0,0,0|1,0,0]=3 11552 B12R1.25 Nc1ccnc(OCCO)c1N Amb26375996 [0,2,0,0,0,0|2,0,0]=4 11553 B12R1.25 O=C1C(Br)=CC=CN1CCCO Amb18543189 [0,2,0,0,0,0|1,0,0]=3 11554 B12R1.25 O=C1C(I)=CC=CN1CCCF Amb28240003 [0,2,0,0,0,0|2,0,0]=4 11555 B12R1.25 O=CCCc1cccc(Br)c1Br Amb26844644 [0,2,0,0,0,0|0,0,2]=4 11556 B12R1.25 O=CCCc1cccc(Br)c1Cl Amb24483778 [0,2,0,0,0,0|0,0,2]=4 11557 B12R1.25 O=CCCc1cccc(Br)c1F Amb25739079 [0,2,0,0,0,0|0,0,2]=4 11558 B12R1.25 O=CCCc1cccc(Br)c1I Amb26880680 [0,2,0,0,0,0|0,0,2]=4 11559 B12R1.25 O=CCCc1cccc(Br)c1O Amb24728306 [0,2,0,0,0,0|0,0,2]=4 11560 B12R1.25 O=CCCc1cccc(Cl)c1Cl Amb18066576 [0,2,0,0,0,0|0,0,2]=4 11561 B12R1.25 O=CCCc1cccc(Cl)c1F Amb26315353 [0,2,0,0,0,0|0,0,2]=4 11562 B12R1.25 O=CCCc1cccc(Cl)c1I Amb26935759 [0,2,0,0,0,0|0,0,2]=4 11563 B12R1.25 O=CCCc1cccc(Cl)c1O Amb26898533 [0,2,0,0,0,0|0,0,2]=4 11564 B12R1.25 O=CCCc1cccc(F)c1Br Amb27876559 [0,2,0,0,0,0|0,0,2]=4 11565 B12R1.25 O=CCCc1cccc(F)c1Cl Amb27798762 [0,2,0,0,0,0|0,0,2]=4 11566 B12R1.25 O=CCCc1cccc(F)c1F Amb18801722 [0,2,0,0,0,0|0,0,2]=4 11567 B12R1.25 O=CCCc1cccc(F)c1I Amb26880769 [0,2,0,0,0,0|0,0,2]=4 11568 B12R1.25 O=CCCc1cccc(F)c1O Amb26339327 [0,2,0,0,0,0|0,0,2]=4 11569 B12R1.25 O=CCCc1cccc(I)c1Br Amb25890570 [0,2,0,0,0,0|0,0,2]=4 11570 B12R1.25 O=CCCc1cccc(I)c1Cl Amb28119151 [0,2,0,0,0,0|0,0,2]=4 11571 B12R1.25 O=CCCc1cccc(I)c1I Amb27633745 [0,2,0,0,0,0|0,0,2]=4 11572 B12R1.25 O=CCCc1cccc(I)c1O Amb27800783 [0,2,0,0,0,0|0,0,2]=4 11573 B12R1.25 O=CCCc1cccc(O)c1Br Amb28123651 [0,2,0,0,0,0|0,0,2]=4 11574 B12R1.25 O=CCCc1cccc(O)c1Cl Amb27632383 [0,2,0,0,0,0|0,0,2]=4 11575 B12R1.25 O=CCCc1cccc(O)c1F Amb25831101 [0,2,0,0,0,0|0,0,2]=4 11576 B12R1.25 O=CCCc1cccc(O)c1I Amb26645175 [0,2,0,0,0,0|0,0,2]=4 11577 B12R1.25 O=CCCc1cccc(O)c1O Amb27192383 [0,2,0,0,0,0|0,0,2]=4 11578 B12R1.25 O=CCCc1cccc(O)c1S Amb27423590 [0,2,0,0,0,0|0,0,2]=4 11579 B12R1.25 O=CCCc1cccc(S)c1Br Amb27964574 [0,2,0,0,0,0|0,0,2]=4 11580 B12R1.25 O=CCCc1cccc(S)c1Cl Amb28196073 [0,2,0,0,0,0|0,0,2]=4 11581 B12R1.25 O=CCCc1cccc(S)c1O Amb27965652 [0,2,0,0,0,0|0,0,2]=4 11582 B12R1.25 O=CCCc1cccc(S)c1S Amb28196024 [0,2,0,0,0,0|0,0,2]=4 11583 B12R1.25 OCC#Cc1cccc(Br)c1F Amb27257698 [0,2,0,0,0,0|0,0,2]=4 11584 B12R1.25 OCC#Cc1cccc(Cl)c1Cl Amb9777293 [0,2,0,0,0,0|0,0,2]=4 11585 B12R1.25 OCC#Cc1cccc(F)c1Br Amb27779237 [0,2,0,0,0,0|0,0,2]=4 11586 B12R1.25 OCC#Cc1cccc(F)c1F Amb25148503 [0,2,0,0,0,0|0,0,2]=4 11587 B12R1.25 OCCCc1cccc(Br)c1F Amb28244244 [0,2,0,0,0,0|0,0,0]=2 11588 B12R1.25 OCCCc1cccc(Br)c1O Amb33332585 [0,2,0,0,0,0|0,0,0]=2 11589 B12R1.25 OCCCc1cccc(Cl)c1Br Amb32950162 [0,2,0,0,0,0|0,0,0]=2 11590 B12R1.25 OCCCc1cccc(Cl)c1Cl Amb17605780 [0,2,0,0,0,0|0,0,0]=2 11591 B12R1.25 OCCCc1cccc(Cl)c1F Amb24402092 [0,2,0,0,0,0|0,0,0]=2 11592 B12R1.25 OCCCc1cccc(Cl)c1O Amb25098650 [0,2,0,0,0,0|0,0,0]=2 11593 B12R1.25 OCCCc1cccc(F)c1Br Amb25834826 [0,2,0,0,0,0|0,0,0]=2 11594 B12R1.25 OCCCc1cccc(F)c1Cl Amb25136399 [0,2,0,0,0,0|0,0,0]=2 11595 B12R1.25 OCCCc1cccc(F)c1F Amb18802844 [0,2,0,0,0,0|0,0,0]=2 11596 B12R1.25 OCCCc1cccc(F)c1O Amb24551042 [0,2,0,0,0,0|0,0,0]=2 11597 B12R1.25 OCCCc1cccc(O)c1Br Amb33386870 [0,2,0,0,0,0|0,0,0]=2 11598 B12R1.25 OCCCc1cccc(O)c1O Amb25063876 [0,2,0,0,0,0|0,0,0]=2 11599 B12R1.25 OCCNc1cccc(Br)c1F Amb35649406 [0,2,0,0,0,0|1,0,0]=3 11600 B12R1.25 OCCNc1cccc(Cl)c1Br Amb24271233 [0,2,0,0,0,0|1,0,0]=3 11601 B12R1.25 OCCNc1cccc(Cl)c1Cl Amb6742674 [0,2,0,0,0,0|1,0,0]=3 11602 B12R1.25 OCCOc1cccc(Cl)c1Cl Amb9245205 [0,2,0,0,0,0|1,0,0]=3 11603 B12R1.25 OCCOc1cccc(F)c1I Amb28317626 [0,2,0,0,0,0|1,0,0]=3 11604 B12R1.25 OCCSc1cccc(Cl)c1Cl Amb2686951 [0,2,0,0,0,0|1,0,0]=3 11605 B12R1.25 OC\C=C\c1cccc(Br)c1F Amb33386602 [0,2,0,0,0,0|0,0,2]=4 11606 B12R1.25 OC\C=C\c1cccc(Br)c1O Amb33332546 [0,2,0,0,0,0|0,0,2]=4 11607 B12R1.25 OC\C=C\c1cccc(Cl)c1Cl Amb23555632 [0,2,0,0,0,0|0,0,2]=4 11608 B12R1.25 OC\C=C\c1cccc(Cl)c1F Amb33261804 [0,2,0,0,0,0|0,0,2]=4 11609 B12R1.25 OC\C=C\c1cccc(Cl)c1O Amb33056880 [0,2,0,0,0,0|0,0,2]=4 11610 B12R1.25 OC\C=C\c1cccc(F)c1Br Amb33450558 [0,2,0,0,0,0|0,0,2]=4 11611 B12R1.25 OC\C=C\c1cccc(F)c1F Amb24593079 [0,2,0,0,0,0|0,0,2]=4 11612 B12R1.25 OC\C=C\c1cccc(F)c1O Amb33372345 [0,2,0,0,0,0|0,0,2]=4 11613 B12R1.25 OC\C=C\c1cccc(O)c1Br Amb33386836 [0,2,0,0,0,0|0,0,2]=4 11614 B12R1.25 OC\C=C\c1cccc(O)c1O Amb33268789 [0,2,0,0,0,0|0,0,2]=4 11615 B12R1.25 Oc1c(Br)cccc1CCCBr Amb27613859 [0,2,0,0,0,0|1,0,0]=3 11616 B12R1.25 Oc1c(Br)cccc1CCCS Amb33332605 [0,2,0,0,0,0|0,1,0]=3 11617 B12R1.25 Oc1c(Cl)cccc1CCCBr Amb24759296 [0,2,0,0,0,0|1,0,0]=3 11618 B12R1.25 Oc1c(Cl)cccc1CCCS Amb33057231 [0,2,0,0,0,0|0,1,0]=3 11619 B12R1.25 Oc1c(F)cccc1CCCBr Amb27423566 [0,2,0,0,0,0|1,0,0]=3 11620 B12R1.25 Oc1c(F)cccc1CCCCl Amb28134080 [0,2,0,0,0,0|1,0,0]=3 11621 B12R1.25 Oc1c(F)cccc1CCCS Amb33310588 [0,2,0,0,0,0|0,1,0]=3 11622 B12R1.25 Oc1c(I)cccc1CCCCl Amb27624175 [0,2,0,0,0,0|1,0,0]=3 11623 B12R1.25 Oc1cccc(CCCBr)c1Br Amb25325193 [0,2,0,0,0,0|1,0,0]=3 11624 B12R1.25 Oc1cccc(CCCBr)c1Cl Amb27428167 [0,2,0,0,0,0|1,0,0]=3 11625 B12R1.25 Oc1cccc(CCCBr)c1O Amb27192379 [0,2,0,0,0,0|1,0,0]=3 11626 B12R1.25 Oc1cccc(CCCCl)c1Br Amb24638371 [0,2,0,0,0,0|1,0,0]=3 11627 B12R1.25 Oc1cccc(CCCCl)c1Cl Amb27428169 [0,2,0,0,0,0|1,0,0]=3 11628 B12R1.25 Oc1cccc(CCCCl)c1F Amb27423572 [0,2,0,0,0,0|1,0,0]=3 11629 B12R1.25 Oc1cccc(CCCCl)c1O Amb27225085 [0,2,0,0,0,0|1,0,0]=3 11630 B12R1.25 Oc1cccc(CCCCl)c1S Amb27423587 [0,2,0,0,0,0|1,0,0]=3 11631 B12R1.25 Oc1cccc(CCCS)c1Br Amb33386847 [0,2,0,0,0,0|0,1,0]=3 11632 B12R1.25 Oc1cccc(CCCS)c1O Amb33267639 [0,2,0,0,0,0|0,1,0]=3 11633 B12R1.25 SCCCc1cccc(Cl)c1Cl Amb33057791 [0,2,0,0,0,0|0,1,0]=3 11634 B12R1.25 SCCOc1cccc(Cl)c1Cl Amb17245966 [0,2,0,0,0,0|1,1,0]=4 11635 B12R1.25 Sc1c(Br)cccc1CCCBr Amb27795311 [0,2,0,0,0,0|1,0,0]=3 11636 B12R1.25 Sc1c(Br)cccc1CCCCl Amb26905842 [0,2,0,0,0,0|1,0,0]=3 11637 B12R1.25 Sc1c(Cl)cccc1CCCBr Amb27200569 [0,2,0,0,0,0|1,0,0]=3 11638 B12R1.25 Sc1c(Cl)cccc1CCCCl Amb27199201 [0,2,0,0,0,0|1,0,0]=3 11639 B12R1.25 Sc1cccc(CCCBr)c1Br Amb27613897 [0,2,0,0,0,0|1,0,0]=3 11640 B12R1.25 Sc1cccc(CCCCl)c1Br Amb26952748 [0,2,0,0,0,0|1,0,0]=3 11641 B12R1.25 [C-]#[N+]CCc1cccc(Br)c1C Amb33389370 [0,2,0,0,0,0|2,0,0]=4 11642 B12R1.25 [C-]#[N+]CCc1cccc(Br)c1F Amb33386558 [0,2,0,0,0,0|2,0,0]=4 11643 B12R1.25 [C-]#[N+]CCc1cccc(C)c1C Amb33199871 [0,2,0,0,0,0|2,0,0]=4 11644 B12R1.25 [C-]#[N+]CCc1cccc(C)c1F Amb33325053 [0,2,0,0,0,0|2,0,0]=4 11645 B12R1.25 [C-]#[N+]CCc1cccc(Cl)c1Cl Amb33057717 [0,2,0,0,0,0|2,0,0]=4 11646 B12R1.25 [C-]#[N+]CCc1cccc(Cl)c1F Amb33222968 [0,2,0,0,0,0|2,0,0]=4 11647 B12R1.25 [C-]#[N+]CCc1cccc(F)c1Br Amb33450562 [0,2,0,0,0,0|2,0,0]=4 11648 B12R1.25 [C-]#[N+]CCc1cccc(F)c1C Amb33372427 [0,2,0,0,0,0|2,0,0]=4 11649 B12R1.25 [C-]#[N+]CCc1cccc(F)c1F Amb33425951 [0,2,0,0,0,0|2,0,0]=4 11650 B12R1.25 [NH3+]CCOc1cccc(Cl)c1Cl Amb2444251 [0,2,0,0,0,0|2,0,0]=4 11651 B12R1.121 C#CCCc1ccccc1C#C Amb33373903 [0,2,0,0,0,0|1,0,1]=4 11652 B12R1.121 C#CCCc1ccccc1C#N Amb18118066 [0,2,0,0,0,0|1,0,1]=4 11653 B12R1.121 C#CCCc1ccccc1CC Amb33198315 [0,2,0,0,0,0|1,0,1]=4 11654 B12R1.121 C#CCCc1ccccc1CN Amb27624554 [0,2,0,0,0,0|1,0,1]=4 11655 B12R1.121 C#CCCc1ccccc1OC Amb18636005 [0,2,0,0,0,0|1,0,1]=4 11656 B12R1.121 C#CCCc1ccccc1SC Amb32876164 [0,2,0,0,0,0|1,0,1]=4 11657 B12R1.121 C#Cc1ccccc1C#CCO Amb27178552 [0,2,0,0,0,0|0,0,2]=4 11658 B12R1.121 C#Cc1ccccc1CCC#N Amb33204319 [0,2,0,0,0,0|1,0,1]=4 11659 B12R1.121 C#Cc1ccccc1CCC=O Amb24422382 [0,2,0,0,0,0|0,0,2]=4 11660 B12R1.121 C#Cc1ccccc1CCCBr Amb33386550 [0,2,0,0,0,0|1,0,0]=3 11661 B12R1.121 C#Cc1ccccc1CCCN Amb33314763 [0,2,0,0,0,0|1,0,0]=3 11662 B12R1.121 C#Cc1ccccc1CCCO Amb27978387 [0,2,0,0,0,0|0,0,0]=2 11663 B12R1.121 C#Cc1ccccc1CCCS Amb33373849 [0,2,0,0,0,0|0,1,0]=3 11664 B12R1.121 C#Cc1ccccc1CCNC Amb33204327 [0,2,0,0,0,0|2,0,0]=4 11665 B12R1.121 C#Cc1ccccc1CCON Amb33203605 [0,2,0,0,0,0|2,0,0]=4 11666 B12R1.121 C#Cc1ccccc1OCCC Amb27457126 [0,2,0,0,0,0|2,0,0]=4 11667 B12R1.121 C#Cc1ccccc1OCCN Amb33373859 [0,2,0,0,0,0|2,0,0]=4 11668 B12R1.121 C#Cc1ccccc1\C=C\CO Amb33374286 [0,2,0,0,0,0|0,0,2]=4 11669 B12R1.121 C#Cc1cnccc1CCCO Amb24702653 [0,2,0,0,0,0|1,0,0]=3 11670 B12R1.121 C=CCCc1ccccc1CO Amb24069012 [0,2,0,0,0,0|1,0,1]=4 11671 B12R1.121 C=CCCc1ccccc1OC Amb6299112 [0,2,0,0,0,0|1,0,1]=4 11672 B12R1.121 CCCCc1ccccc1C#N Amb27156264 [0,2,0,0,0,0|1,0,0]=3 11673 B12R1.121 CCCCc1ccccc1NN Amb3942594 [0,2,0,0,0,0|1,0,0]=3 11674 B12R1.121 CCCNc1ccccc1C#N Amb6716331 [0,2,0,0,0,0|2,0,0]=4 11675 B12R1.121 CCCNc1ccccc1CC Amb6698992 [0,2,0,0,0,0|2,0,0]=4 11676 B12R1.121 CCCNc1ccccc1CN Amb18800850 [0,2,0,0,0,0|2,0,0]=4 11677 B12R1.121 CCCNc1ccccc1OC Amb6688440 [0,2,0,0,0,0|2,0,0]=4 11678 B12R1.121 CCCOc1ccccc1C=O Amb1033069 [0,2,0,0,0,0|2,0,0]=4 11679 B12R1.121 CCCOc1ccccc1CCl Amb6622493 [0,2,0,0,0,0|2,0,0]=4 11680 B12R1.121 CCCOc1ccccc1CN Amb1141875 [0,2,0,0,0,0|2,0,0]=4 11681 B12R1.121 CCCOc1ccccc1CO Amb3542437 [0,2,0,0,0,0|2,0,0]=4 11682 B12R1.121 CCCOc1ccccc1NC Amb18316381 [0,2,0,0,0,0|2,0,0]=4 11683 B12R1.121 CCCSc1ccccc1CCl Amb32697564 [0,2,0,0,0,0|2,0,0]=4 11684 B12R1.121 CCNCc1ccccc1C#N Amb10610322 [0,2,0,0,0,0|2,0,0]=4 11685 B12R1.121 CCNCc1ccccc1C#N Amb6247254 [0,2,0,0,0,0|2,0,0]=4 11686 B12R1.121 CCNCc1ccccc1CN Amb19649753 [0,2,0,0,0,0|2,0,0]=4 11687 B12R1.121 CCNCc1ccccc1CO Amb6739981 [0,2,0,0,0,0|2,0,0]=4 11688 B12R1.121 CCNCc1ccccc1OC Amb6864718 [0,2,0,0,0,0|2,0,0]=4 11689 B12R1.121 CCNCc1ccccc1OC Amb837659 [0,2,0,0,0,0|2,0,0]=4 11690 B12R1.121 CCOCc1ccccc1C#N Amb6257394 [0,2,0,0,0,0|2,0,0]=4 11691 B12R1.121 CCOCc1ccccc1CN Amb1137684 [0,2,0,0,0,0|2,0,0]=4 11692 B12R1.121 CCc1ccccc1C#CCO Amb24449940 [0,2,0,0,0,0|0,0,2]=4 11693 B12R1.121 CCc1ccccc1CCC#N Amb25995564 [0,2,0,0,0,0|1,0,1]=4 11694 B12R1.121 CCc1ccccc1CCC=O Amb33448757 [0,2,0,0,0,0|0,0,2]=4 11695 B12R1.121 CCc1ccccc1CCCBr Amb33451547 [0,2,0,0,0,0|1,0,0]=3 11696 B12R1.121 CCc1ccccc1CCCN Amb18310623 [0,2,0,0,0,0|1,0,0]=3 11697 B12R1.121 CCc1ccccc1CCCO Amb32950119 [0,2,0,0,0,0|0,0,0]=2 11698 B12R1.121 CCc1ccccc1CCCS Amb33198664 [0,2,0,0,0,0|0,1,0]=3 11699 B12R1.121 CCc1ccccc1CCNC Amb33475047 [0,2,0,0,0,0|2,0,0]=4 11700 B12R1.121 CCc1ccccc1CCON Amb33199000 [0,2,0,0,0,0|2,0,0]=4 11701 B12R1.121 CCc1ccccc1NCCCl Amb17335667 [0,2,0,0,0,0|2,0,0]=4 11702 B12R1.121 CCc1ccccc1NCCF Amb27619590 [0,2,0,0,0,0|2,0,0]=4 11703 B12R1.121 CCc1ccccc1NCCO Amb4016393 [0,2,0,0,0,0|1,0,0]=3 11704 B12R1.121 CCc1ccccc1OCCBr Amb9024911 [0,2,0,0,0,0|2,0,0]=4 11705 B12R1.121 CCc1ccccc1OCCCl Amb8867419 [0,2,0,0,0,0|2,0,0]=4 11706 B12R1.121 CCc1ccccc1OCCN Amb5781212 [0,2,0,0,0,0|2,0,0]=4 11707 B12R1.121 CCc1ccccc1OCCO Amb9370573 [0,2,0,0,0,0|1,0,0]=3 11708 B12R1.121 CCc1ccccc1OCCS Amb17233941 [0,2,0,0,0,0|1,1,0]=4 11709 B12R1.121 CCc1ccccc1\C=C\CO Amb33171632 [0,2,0,0,0,0|0,0,2]=4 11710 B12R1.121 CNCCc1ccccc1C#N Amb27167755 [0,2,0,0,0,0|2,0,0]=4 11711 B12R1.121 CNCCc1ccccc1CO Amb8629051 [0,2,0,0,0,0|2,0,0]=4 11712 B12R1.121 CNCCc1ccccc1OC Amb33544252 [0,2,0,0,0,0|2,0,0]=4 11713 B12R1.121 CNCCc1ccccc1SC Amb33429970 [0,2,0,0,0,0|2,0,0]=4 11714 B12R1.121 CNc1ccccc1CCCO Amb26445075 [0,2,0,0,0,0|0,0,0]=2 11715 B12R1.121 COc1ccccc1C#CCO Amb18180050 [0,2,0,0,0,0|0,0,2]=4 11716 B12R1.121 COc1ccccc1CCC#N Amb17508974 [0,2,0,0,0,0|1,0,1]=4 11717 B12R1.121 COc1ccccc1CCC=O Amb17081677 [0,2,0,0,0,0|0,0,2]=4 11718 B12R1.121 COc1ccccc1CCCBr Amb7089047 [0,2,0,0,0,0|1,0,0]=3 11719 B12R1.121 COc1ccccc1CCCCl Amb17104531 [0,2,0,0,0,0|1,0,0]=3 11720 B12R1.121 COc1ccccc1CCCN Amb2721871 [0,2,0,0,0,0|1,0,0]=3 11721 B12R1.121 COc1ccccc1CCCO Amb4019180 [0,2,0,0,0,0|0,0,0]=2 11722 B12R1.121 COc1ccccc1CCCS Amb17400949 [0,2,0,0,0,0|0,1,0]=3 11723 B12R1.121 COc1ccccc1CCNN Amb8828049 [0,2,0,0,0,0|2,0,0]=4 11724 B12R1.121 COc1ccccc1CCON Amb22896636 [0,2,0,0,0,0|2,0,0]=4 11725 B12R1.121 COc1ccccc1CC[Zn]Br Amb6300304 [0,2,0,0,0,0|2,0,0]=4 11726 B12R1.121 COc1ccccc1NCCCl Amb17335806 [0,2,0,0,0,0|2,0,0]=4 11727 B12R1.121 COc1ccccc1NCCN Amb17057753 [0,2,0,0,0,0|2,0,0]=4 11728 B12R1.121 COc1ccccc1NCCO Amb6708268 [0,2,0,0,0,0|1,0,0]=3 11729 B12R1.121 COc1ccccc1OCCBr Amb836244 [0,2,0,0,0,0|2,0,0]=4 11730 B12R1.121 COc1ccccc1OCCCl Amb8828437 [0,2,0,0,0,0|2,0,0]=4 11731 B12R1.121 COc1ccccc1OCCN Amb1210085 [0,2,0,0,0,0|2,0,0]=4 11732 B12R1.121 COc1ccccc1OCCN Amb20241252 [0,2,0,0,0,0|2,0,0]=4 11733 B12R1.121 COc1ccccc1OCCN Amb6296355 [0,2,0,0,0,0|2,0,0]=4 11734 B12R1.121 COc1ccccc1OCCO Amb2209353 [0,2,0,0,0,0|1,0,0]=3 11735 B12R1.121 COc1ccccc1OCCS Amb17234095 [0,2,0,0,0,0|1,1,0]=4 11736 B12R1.121 COc1ccccc1OCC[NH3+] Amb33513060 [0,2,0,0,0,0|2,0,0]=4 11737 B12R1.121 COc1ccccc1SCCN Amb19024665 [0,2,0,0,0,0|2,0,0]=4 11738 B12R1.121 COc1ccccc1SCCO Amb2689268 [0,2,0,0,0,0|1,0,0]=3 11739 B12R1.121 COc1ccccc1\C=C\CO Amb1110152 [0,2,0,0,0,0|0,0,2]=4 11740 B12R1.121 COc1cccnc1CCCBr Amb33451057 [0,2,0,0,0,0|2,0,0]=4 11741 B12R1.121 COc1cccnc1CCCN Amb33448425 [0,2,0,0,0,0|2,0,0]=4 11742 B12R1.121 COc1cccnc1CCCO Amb33080428 [0,2,0,0,0,0|1,0,0]=3 11743 B12R1.121 COc1cccnc1CCCS Amb33271553 [0,2,0,0,0,0|1,1,0]=4 11744 B12R1.121 COc1ncccc1CCCBr Amb33240833 [0,2,0,0,0,0|2,0,0]=4 11745 B12R1.121 COc1ncccc1CCCN Amb33448900 [0,2,0,0,0,0|2,0,0]=4 11746 B12R1.121 COc1ncccc1CCCO Amb33079281 [0,2,0,0,0,0|1,0,0]=3 11747 B12R1.121 COc1ncccc1CCCS Amb33378282 [0,2,0,0,0,0|1,1,0]=4 11748 B12R1.121 CSc1ccccc1CCC#N Amb25239192 [0,2,0,0,0,0|1,0,1]=4 11749 B12R1.121 CSc1ccccc1CCC=O Amb33473857 [0,2,0,0,0,0|0,0,2]=4 11750 B12R1.121 CSc1ccccc1CCCBr Amb33240777 [0,2,0,0,0,0|1,0,0]=3 11751 B12R1.121 CSc1ccccc1CCCN Amb33079267 [0,2,0,0,0,0|1,0,0]=3 11752 B12R1.121 CSc1ccccc1CCCO Amb33079338 [0,2,0,0,0,0|0,0,0]=2 11753 B12R1.121 CSc1ccccc1CCCS Amb32876734 [0,2,0,0,0,0|0,1,0]=3 11754 B12R1.121 CSc1ccccc1CCON Amb33465864 [0,2,0,0,0,0|2,0,0]=4 11755 B12R1.121 CSc1ccccc1NCCN Amb27597535 [0,2,0,0,0,0|2,0,0]=4 11756 B12R1.121 CSc1ccccc1OCCN Amb22523348 [0,2,0,0,0,0|2,0,0]=4 11757 B12R1.121 CSc1ccccc1\C=C\CO Amb33465828 [0,2,0,0,0,0|0,0,2]=4 11758 B12R1.121 CSc1ncccc1OCCO Amb24105861 [0,2,0,0,0,0|2,0,0]=4 11759 B12R1.121 FCCOc1ccccc1CBr Amb31207745 [0,2,0,0,0,0|2,0,0]=4 11760 B12R1.121 FCCOc1ccccc1CCl Amb31207744 [0,2,0,0,0,0|2,0,0]=4 11761 B12R1.121 N#CCCc1ccccc1C#N Amb17593908 [0,2,0,0,0,0|1,0,1]=4 11762 B12R1.121 N#CCCc1ccccc1C=O Amb26627922 [0,2,0,0,0,0|1,0,1]=4 11763 B12R1.121 N#CCCc1ccccc1CBr Amb27613735 [0,2,0,0,0,0|1,0,1]=4 11764 B12R1.121 N#CCCc1ccccc1CCl Amb28246273 [0,2,0,0,0,0|1,0,1]=4 11765 B12R1.121 N#Cc1ccccc1C#CCO Amb836573 [0,2,0,0,0,0|0,0,2]=4 11766 B12R1.121 N#Cc1ccccc1CCC=O Amb25685434 [0,2,0,0,0,0|0,0,2]=4 11767 B12R1.121 N#Cc1ccccc1CCCBr Amb27614096 [0,2,0,0,0,0|1,0,0]=3 11768 B12R1.121 N#Cc1ccccc1CCCCl Amb28365648 [0,2,0,0,0,0|1,0,0]=3 11769 B12R1.121 N#Cc1ccccc1CCCN Amb18251586 [0,2,0,0,0,0|1,0,0]=3 11770 B12R1.121 N#Cc1ccccc1CCCO Amb28437188 [0,2,0,0,0,0|0,0,0]=2 11771 B12R1.121 N#Cc1ccccc1CCCS Amb33204244 [0,2,0,0,0,0|0,1,0]=3 11772 B12R1.121 N#Cc1ccccc1CCON Amb33314675 [0,2,0,0,0,0|2,0,0]=4 11773 B12R1.121 N#Cc1ccccc1NCCCl Amb17335460 [0,2,0,0,0,0|2,0,0]=4 11774 B12R1.121 N#Cc1ccccc1NCCO Amb6712054 [0,2,0,0,0,0|1,0,0]=3 11775 B12R1.121 N#Cc1ccccc1OCCBr Amb6255654 [0,2,0,0,0,0|2,0,0]=4 11776 B12R1.121 N#Cc1ccccc1OCCF Amb27950264 [0,2,0,0,0,0|2,0,0]=4 11777 B12R1.121 N#Cc1ccccc1OCCN Amb17740016 [0,2,0,0,0,0|2,0,0]=4 11778 B12R1.121 N#Cc1ccccc1OCCO Amb6256841 [0,2,0,0,0,0|1,0,0]=3 11779 B12R1.121 N#Cc1ccccc1\C=C\CO Amb18645181 [0,2,0,0,0,0|0,0,2]=4 11780 B12R1.121 N#Cc1cccnc1CCCN Amb27242502 [0,2,0,0,0,0|2,0,0]=4 11781 B12R1.121 N#Cc1cccnc1NCCO Amb6617388 [0,2,0,0,0,0|2,0,0]=4 11782 B12R1.121 N#Cc1ccncc1SCCO Amb18648381 [0,2,0,0,0,0|2,0,0]=4 11783 B12R1.121 N#Cc1ncccc1CCCN Amb27175644 [0,2,0,0,0,0|2,0,0]=4 11784 B12R1.121 N#Cc1ncccc1NCCO Amb27398064 [0,2,0,0,0,0|2,0,0]=4 11785 B12R1.121 NCCOc1ccccc1CN Amb32737487 [0,2,0,0,0,0|2,0,0]=4 11786 B12R1.121 NCc1ccccc1NCCO Amb5786775 [0,2,0,0,0,0|1,0,0]=3 11787 B12R1.121 NCc1ccccc1OCCF Amb31207830 [0,2,0,0,0,0|2,0,0]=4 11788 B12R1.121 NCc1ccccc1OCCO Amb33527040 [0,2,0,0,0,0|1,0,0]=3 11789 B12R1.121 NCc1ccccc1OCCO Amb6702373 [0,2,0,0,0,0|1,0,0]=3 11790 B12R1.121 NCc1ccncc1NCCO Amb27754890 [0,2,0,0,0,0|2,0,0]=4 11791 B12R1.121 NCc1ccncc1OCCO Amb28984207 [0,2,0,0,0,0|2,0,0]=4 11792 B12R1.121 NCc1cnccc1NCCO Amb27883027 [0,2,0,0,0,0|2,0,0]=4 11793 B12R1.121 O=Cc1ccccc1OCCBr Amb2797414 [0,2,0,0,0,0|2,0,0]=4 11794 B12R1.121 O=Cc1ccccc1OCCCl Amb857546 [0,2,0,0,0,0|2,0,0]=4 11795 B12R1.121 O=Cc1ccccc1OCCF Amb31207828 [0,2,0,0,0,0|2,0,0]=4 11796 B12R1.121 O=Cc1ccccc1OCCO Amb857545 [0,2,0,0,0,0|1,0,0]=3 11797 B12R1.121 OCC#Cc1ccccc1CO Amb18792412 [0,2,0,0,0,0|0,0,2]=4 11798 B12R1.121 OCCNc1ncccc1CO Amb18106094 [0,2,0,0,0,0|2,0,0]=4 11799 B12R1.121 OC\C=C\c1ccccc1CO Amb27764799 [0,2,0,0,0,0|0,0,2]=4 11800 B12R1.121 OCc1ccccc1OCCF Amb31207756 [0,2,0,0,0,0|2,0,0]=4 11801 B12R1.121 [C-]#[N+]CCc1ccccc1C#C Amb33204013 [0,2,0,0,0,0|2,0,0]=4 11802 B12R1.121 [C-]#[N+]CCc1ccccc1C#N Amb33314684 [0,2,0,0,0,0|2,0,0]=4 11803 B12R1.121 [C-]#[N+]CCc1ccccc1CC Amb33199008 [0,2,0,0,0,0|2,0,0]=4 11804 B12R1.121 [C-]#[N+]CCc1ccccc1OC Amb3973126 [0,2,0,0,0,0|2,0,0]=4 11805 B12R1.121 [C-]#[N+]CCc1ccccc1SC Amb33472542 [0,2,0,0,0,0|2,0,0]=4 11806 B12R1.125 C=C(Cl)CCc1ccccc1Cl Amb6298966 [0,2,0,0,0,0|1,0,1]=4 11807 B12R1.125 CC(=O)CCc1ccccc1Br Amb9031563 [0,2,0,0,0,0|0,0,2]=4 11808 B12R1.125 CC(=O)CCc1ccccc1C Amb9031558 [0,2,0,0,0,0|0,0,2]=4 11809 B12R1.125 CC(=O)CCc1ccccc1Cl Amb9031570 [0,2,0,0,0,0|0,0,2]=4 11810 B12R1.125 CC(=O)CCc1ccccc1F Amb9031573 [0,2,0,0,0,0|0,0,2]=4 11811 B12R1.125 CC(=O)CCc1ccccc1N Amb27246247 [0,2,0,0,0,0|0,0,2]=4 11812 B12R1.125 CC(=O)CCc1ccccc1O Amb17507153 [0,2,0,0,0,0|0,0,2]=4 11813 B12R1.125 CC(Br)CCc1ccccc1Cl Amb27425314 [0,2,0,0,0,0|1,0,0]=3 11814 B12R1.125 CC(Br)CCc1ccncc1Cl Amb27249810 [0,2,0,0,0,0|2,0,0]=4 11815 B12R1.125 CC(Br)CCc1ncccc1Br Amb27457039 [0,2,0,0,0,0|2,0,0]=4 11816 B12R1.125 CC(C)CC[n+]1ccccc1Br Amb27399385 [0,2,0,0,0,0|2,0,0]=4 11817 B12R1.125 CC(C)CC[n+]1ccccc1Cl Amb28204778 [0,2,0,0,0,0|2,0,0]=4 11818 B12R1.125 CC(C)CCc1ccccc1I Amb28244344 [0,2,0,0,0,0|1,0,0]=3 11819 B12R1.125 CC(C)CCc1ccccc1N Amb13951566 [0,2,0,0,0,0|1,0,0]=3 11820 B12R1.125 CC(C)CCc1ccccc1O Amb27972959 [0,2,0,0,0,0|1,0,0]=3 11821 B12R1.125 CC(C)CCc1ccncc1N Amb18828686 [0,2,0,0,0,0|2,0,0]=4 11822 B12R1.125 CC(C)CCc1cnccc1N Amb24417551 [0,2,0,0,0,0|2,0,0]=4 11823 B12R1.125 CC(C)CCc1ncccc1N Amb18828682 [0,2,0,0,0,0|2,0,0]=4 11824 B12R1.125 CC(C)CCc1ncccc1O Amb27255307 [0,2,0,0,0,0|2,0,0]=4 11825 B12R1.125 CC(C)CNc1ccccc1Br Amb6696377 [0,2,0,0,0,0|2,0,0]=4 11826 B12R1.125 CC(C)CNc1ccccc1Cl Amb6696853 [0,2,0,0,0,0|2,0,0]=4 11827 B12R1.125 CC(C)CNc1ccccc1F Amb6697273 [0,2,0,0,0,0|2,0,0]=4 11828 B12R1.125 CC(C)CNc1ccccc1I Amb7785761 [0,2,0,0,0,0|2,0,0]=4 11829 B12R1.125 CC(C)CNc1ccccc1N Amb7767494 [0,2,0,0,0,0|2,0,0]=4 11830 B12R1.125 CC(C)COc1ccccc1Br Amb6271437 [0,2,0,0,0,0|2,0,0]=4 11831 B12R1.125 CC(C)COc1ccccc1Cl Amb24632680 [0,2,0,0,0,0|2,0,0]=4 11832 B12R1.125 CC(C)COc1ccccc1N Amb1137660 [0,2,0,0,0,0|2,0,0]=4 11833 B12R1.125 CC(C)COc1ccccc1N Amb2140563 [0,2,0,0,0,0|2,0,0]=4 11834 B12R1.125 CC(C)COc1ccccc1O Amb1016836 [0,2,0,0,0,0|2,0,0]=4 11835 B12R1.125 CC(C)COc1ccccc1S Amb25844615 [0,2,0,0,0,0|2,0,0]=4 11836 B12R1.125 CC(C)CSc1ccccc1Br Amb24728137 [0,2,0,0,0,0|2,0,0]=4 11837 B12R1.125 CC(C)NCc1ccccc1Br Amb2111113 [0,2,0,0,0,0|2,0,0]=4 11838 B12R1.125 CC(C)NCc1ccccc1Br Amb6248131 [0,2,0,0,0,0|2,0,0]=4 11839 B12R1.125 CC(C)NCc1ccccc1Cl Amb2098773 [0,2,0,0,0,0|2,0,0]=4 11840 B12R1.125 CC(C)NCc1ccccc1Cl Amb2785874 [0,2,0,0,0,0|2,0,0]=4 11841 B12R1.125 CC(C)NCc1ccccc1F Amb2118765 [0,2,0,0,0,0|2,0,0]=4 11842 B12R1.125 CC(C)NCc1ccccc1F Amb6252500 [0,2,0,0,0,0|2,0,0]=4 11843 B12R1.125 CC(C)NCc1ccccc1I Amb21861743 [0,2,0,0,0,0|2,0,0]=4 11844 B12R1.125 CC(C)NCc1ccccc1N Amb18973318 [0,2,0,0,0,0|2,0,0]=4 11845 B12R1.125 CC(C)NCc1ccccc1O Amb20673451 [0,2,0,0,0,0|2,0,0]=4 11846 B12R1.125 CC(C)NCc1ccccc1O Amb4297794 [0,2,0,0,0,0|2,0,0]=4 11847 B12R1.125 CC(C)OCc1ccccc1Br Amb22900130 [0,2,0,0,0,0|2,0,0]=4 11848 B12R1.125 CC(C)OCc1ccccc1N Amb6251243 [0,2,0,0,0,0|2,0,0]=4 11849 B12R1.125 CC(C)OCc1ccccc1S Amb26478592 [0,2,0,0,0,0|2,0,0]=4 11850 B12R1.125 CC(C)SCc1ccccc1Br Amb22228181 [0,2,0,0,0,0|2,0,0]=4 11851 B12R1.125 CC(C)SCc1ccccc1Cl Amb28283495 [0,2,0,0,0,0|2,0,0]=4 11852 B12R1.125 CC(F)CCc1ccccc1O Amb27958749 [0,2,0,0,0,0|1,0,0]=3 11853 B12R1.125 CC(F)COc1ccccc1O Amb27958799 [0,2,0,0,0,0|2,0,0]=4 11854 B12R1.125 CC(F)CSc1ccccc1O Amb27958812 [0,2,0,0,0,0|2,0,0]=4 11855 B12R1.125 CC(N)CCc1ccccc1Br Amb9031766 [0,2,0,0,0,0|1,0,0]=3 11856 B12R1.125 CC(N)CCc1ccccc1Cl Amb2721943 [0,2,0,0,0,0|1,0,0]=3 11857 B12R1.125 CC(N)CCc1ccccc1F Amb9031774 [0,2,0,0,0,0|1,0,0]=3 11858 B12R1.125 CC(N)CCc1ccccc1O Amb17507315 [0,2,0,0,0,0|1,0,0]=3 11859 B12R1.125 CC(N)CCc1cccnc1Br Amb33387776 [0,2,0,0,0,0|2,0,0]=4 11860 B12R1.125 CC(N)CCc1cccnc1Cl Amb33257363 [0,2,0,0,0,0|2,0,0]=4 11861 B12R1.125 CC(N)CCc1cccnc1F Amb33224050 [0,2,0,0,0,0|2,0,0]=4 11862 B12R1.125 CC(N)CCc1ccncc1Br Amb33450963 [0,2,0,0,0,0|2,0,0]=4 11863 B12R1.125 CC(N)CCc1ccncc1Cl Amb27985656 [0,2,0,0,0,0|2,0,0]=4 11864 B12R1.125 CC(N)CCc1ccncc1F Amb26841241 [0,2,0,0,0,0|2,0,0]=4 11865 B12R1.125 CC(N)CCc1ncccc1Br Amb24462438 [0,2,0,0,0,0|2,0,0]=4 11866 B12R1.125 CC(N)CCc1ncccc1F Amb33419590 [0,2,0,0,0,0|2,0,0]=4 11867 B12R1.125 CC(N)CNc1ccccc1Br Amb27399526 [0,2,0,0,0,0|2,0,0]=4 11868 B12R1.125 CC(N)CNc1ccccc1Cl Amb26923176 [0,2,0,0,0,0|2,0,0]=4 11869 B12R1.125 CC(N)CNc1ccccc1F Amb27756404 [0,2,0,0,0,0|2,0,0]=4 11870 B12R1.125 CC(N)COc1ccccc1Br Amb17062516 [0,2,0,0,0,0|2,0,0]=4 11871 B12R1.125 CC(N)COc1ccccc1Cl Amb9756354 [0,2,0,0,0,0|2,0,0]=4 11872 B12R1.125 CC(N)COc1ccccc1F Amb1134402 [0,2,0,0,0,0|2,0,0]=4 11873 B12R1.125 CC(N)COc1ccccc1O Amb27814458 [0,2,0,0,0,0|2,0,0]=4 11874 B12R1.125 CC(N)CSc1ccccc1N Amb18648678 [0,2,0,0,0,0|2,0,0]=4 11875 B12R1.125 CC(O)C#Cc1ccccc1Cl Amb9777259 [0,2,0,0,0,0|0,0,2]=4 11876 B12R1.125 CC(O)CCN1C=CC=NC1=O Amb18805806 [0,2,0,0,0,0|2,0,0]=4 11877 B12R1.125 CC(O)CCN1N=CC=CC1=O Amb18793045 [0,2,0,0,0,0|2,0,0]=4 11878 B12R1.125 CC(O)CCc1ccccc1Br Amb25763352 [0,2,0,0,0,0|0,0,0]=2 11879 B12R1.125 CC(O)CCc1ccccc1Cl Amb19075162 [0,2,0,0,0,0|0,0,0]=2 11880 B12R1.125 CC(O)CCc1ccccc1F Amb18805845 [0,2,0,0,0,0|0,0,0]=2 11881 B12R1.125 CC(O)CCc1ccccc1O Amb17507249 [0,2,0,0,0,0|0,0,0]=2 11882 B12R1.125 CC(O)CCc1cccnc1Br Amb33387779 [0,2,0,0,0,0|1,0,0]=3 11883 B12R1.125 CC(O)CCc1cccnc1Cl Amb33257367 [0,2,0,0,0,0|1,0,0]=3 11884 B12R1.125 CC(O)CCc1cccnc1F Amb33377666 [0,2,0,0,0,0|1,0,0]=3 11885 B12R1.125 CC(O)CCc1ccncc1Br Amb33242104 [0,2,0,0,0,0|1,0,0]=3 11886 B12R1.125 CC(O)CCc1ccncc1Cl Amb25053788 [0,2,0,0,0,0|1,0,0]=3 11887 B12R1.125 CC(O)CCc1ccncc1F Amb27946215 [0,2,0,0,0,0|1,0,0]=3 11888 B12R1.125 CC(O)CCc1ncccc1Br Amb26038236 [0,2,0,0,0,0|1,0,0]=3 11889 B12R1.125 CC(O)CCc1ncccc1F Amb33418875 [0,2,0,0,0,0|1,0,0]=3 11890 B12R1.125 CC(O)CNc1ccccc1Br Amb17142610 [0,2,0,0,0,0|1,0,0]=3 11891 B12R1.125 CC(O)CNc1ccccc1Cl Amb17139125 [0,2,0,0,0,0|1,0,0]=3 11892 B12R1.125 CC(O)CNc1ccccc1F Amb17138650 [0,2,0,0,0,0|1,0,0]=3 11893 B12R1.125 CC(O)CNc1ccccc1I Amb28410519 [0,2,0,0,0,0|1,0,0]=3 11894 B12R1.125 CC(O)CNc1ccccc1N Amb9359006 [0,2,0,0,0,0|1,0,0]=3 11895 B12R1.125 CC(O)CNc1ccncc1Br Amb27654861 [0,2,0,0,0,0|2,0,0]=4 11896 B12R1.125 CC(O)CNc1ncccc1F Amb18300637 [0,2,0,0,0,0|2,0,0]=4 11897 B12R1.125 CC(O)CNc1ncccc1I Amb28126250 [0,2,0,0,0,0|2,0,0]=4 11898 B12R1.125 CC(O)CNc1ncccc1N Amb9359001 [0,2,0,0,0,0|2,0,0]=4 11899 B12R1.125 CC(O)COc1ccccc1Cl Amb25337460 [0,2,0,0,0,0|1,0,0]=3 11900 B12R1.125 CC(O)COc1ccccc1F Amb18806458 [0,2,0,0,0,0|1,0,0]=3 11901 B12R1.125 CC(O)COc1ccccc1N Amb18971553 [0,2,0,0,0,0|1,0,0]=3 11902 B12R1.125 CC(O)COc1cccnc1Br Amb28241064 [0,2,0,0,0,0|2,0,0]=4 11903 B12R1.125 CC(O)COc1cccnc1F Amb27814862 [0,2,0,0,0,0|2,0,0]=4 11904 B12R1.125 CC(O)CSc1ccccc1Cl Amb27477548 [0,2,0,0,0,0|1,0,0]=3 11905 B12R1.125 CC(O)CSc1ccncc1N Amb18969622 [0,2,0,0,0,0|2,0,0]=4 11906 B12R1.125 CC(O)CSc1ncccc1N Amb18969623 [0,2,0,0,0,0|2,0,0]=4 11907 B12R1.125 CC(O)CSc1ncccc1O Amb18649167 [0,2,0,0,0,0|2,0,0]=4 11908 B12R1.125 CC(O)\C=C\c1ccccc1Br Amb25086864 [0,2,0,0,0,0|0,0,2]=4 11909 B12R1.125 CC(O)\C=C\c1ccccc1Cl Amb26073532 [0,2,0,0,0,0|0,0,2]=4 11910 B12R1.125 CC(O)\C=C\c1ccccc1F Amb26539993 [0,2,0,0,0,0|0,0,2]=4 11911 B12R1.125 CN(C)CCc1ccccc1Br Amb25795341 [0,2,0,0,0,0|2,0,0]=4 11912 B12R1.125 CN(C)CCc1ccccc1Cl Amb27755453 [0,2,0,0,0,0|2,0,0]=4 11913 B12R1.125 CN(C)CCc1ccccc1I Amb28280836 [0,2,0,0,0,0|2,0,0]=4 11914 B12R1.125 CN(C)CCc1ccccc1N Amb5733548 [0,2,0,0,0,0|2,0,0]=4 11915 B12R1.125 CN(N)CCc1ccccc1Cl Amb18564316 [0,2,0,0,0,0|2,0,0]=4 11916 B12R1.125 CN(N)CCc1ccccc1F Amb18563850 [0,2,0,0,0,0|2,0,0]=4 11917 B12R1.125 C[C@@H](N)CCc1ccccc1Br Amb33242308 [0,2,0,0,0,0|1,0,0]=3 11918 B12R1.125 C[C@@H](N)CCc1ccccc1Cl Amb24117939 [0,2,0,0,0,0|1,0,0]=3 11919 B12R1.125 C[C@@H](N)CCc1ccccc1Cl Amb32750188 [0,2,0,0,0,0|1,0,0]=3 11920 B12R1.125 C[C@@H](N)CCc1ccccc1F Amb27817738 [0,2,0,0,0,0|1,0,0]=3 11921 B12R1.125 C[C@@H](N)CCc1ccccc1O Amb27830642 [0,2,0,0,0,0|1,0,0]=3 11922 B12R1.125 C[C@@H](N)CCc1cccnc1Br Amb33387791 [0,2,0,0,0,0|2,0,0]=4 11923 B12R1.125 C[C@@H](N)CCc1cccnc1Cl Amb33257030 [0,2,0,0,0,0|2,0,0]=4 11924 B12R1.125 C[C@@H](N)CCc1cccnc1F Amb33377663 [0,2,0,0,0,0|2,0,0]=4 11925 B12R1.125 C[C@@H](N)CCc1ccncc1Br Amb33388593 [0,2,0,0,0,0|2,0,0]=4 11926 B12R1.125 C[C@@H](N)CCc1ccncc1Cl Amb33413795 [0,2,0,0,0,0|2,0,0]=4 11927 B12R1.125 C[C@@H](N)CCc1ccncc1F Amb33317436 [0,2,0,0,0,0|2,0,0]=4 11928 B12R1.125 C[C@@H](N)CCc1ncccc1Br Amb33336049 [0,2,0,0,0,0|2,0,0]=4 11929 B12R1.125 C[C@@H](N)CCc1ncccc1F Amb33418889 [0,2,0,0,0,0|2,0,0]=4 11930 B12R1.125 C[C@@H](N)COc1ccccc1Br Amb18036081 [0,2,0,0,0,0|2,0,0]=4 11931 B12R1.125 C[C@@H](N)COc1ccccc1Cl Amb18538518 [0,2,0,0,0,0|2,0,0]=4 11932 B12R1.125 C[C@@H](N)COc1ccccc1F Amb18538499 [0,2,0,0,0,0|2,0,0]=4 11933 B12R1.125 C[C@@H](N)COc1ccccc1I Amb29850634 [0,2,0,0,0,0|2,0,0]=4 11934 B12R1.125 C[C@@H](N)CSc1ccccc1Br Amb27847418 [0,2,0,0,0,0|2,0,0]=4 11935 B12R1.125 C[C@@H](N)CSc1ccccc1Cl Amb28430384 [0,2,0,0,0,0|2,0,0]=4 11936 B12R1.125 C[C@@H](N)CSc1ccccc1F Amb27663015 [0,2,0,0,0,0|2,0,0]=4 11937 B12R1.125 C[C@@H](O)CCc1ccccc1Br Amb33387630 [0,2,0,0,0,0|0,0,0]=2 11938 B12R1.125 C[C@@H](O)CCc1ccccc1Cl Amb33052597 [0,2,0,0,0,0|0,0,0]=2 11939 B12R1.125 C[C@@H](O)CCc1ccccc1F Amb33361481 [0,2,0,0,0,0|0,0,0]=2 11940 B12R1.125 C[C@@H](O)CCc1ccccc1O Amb33196173 [0,2,0,0,0,0|0,0,0]=2 11941 B12R1.125 C[C@@H](O)CCc1cccnc1Br Amb33387786 [0,2,0,0,0,0|1,0,0]=3 11942 B12R1.125 C[C@@H](O)CCc1cccnc1Cl Amb33257027 [0,2,0,0,0,0|1,0,0]=3 11943 B12R1.125 C[C@@H](O)CCc1cccnc1F Amb33377664 [0,2,0,0,0,0|1,0,0]=3 11944 B12R1.125 C[C@@H](O)CCc1ccncc1Br Amb33388260 [0,2,0,0,0,0|1,0,0]=3 11945 B12R1.125 C[C@@H](O)CCc1ccncc1Cl Amb33413792 [0,2,0,0,0,0|1,0,0]=3 11946 B12R1.125 C[C@@H](O)CCc1ccncc1F Amb33317437 [0,2,0,0,0,0|1,0,0]=3 11947 B12R1.125 C[C@@H](O)CCc1ncccc1Br Amb33336091 [0,2,0,0,0,0|1,0,0]=3 11948 B12R1.125 C[C@@H](O)CCc1ncccc1F Amb33418795 [0,2,0,0,0,0|1,0,0]=3 11949 B12R1.125 C[C@@H](O)CNc1ccccc1Cl Amb27848418 [0,2,0,0,0,0|1,0,0]=3 11950 B12R1.125 C[C@@H](O)CNc1ccncc1Cl Amb28065728 [0,2,0,0,0,0|2,0,0]=4 11951 B12R1.125 C[C@@H](O)CNc1ncccc1F Amb28350986 [0,2,0,0,0,0|2,0,0]=4 11952 B12R1.125 C[C@@H](O)CNc1ncccc1I Amb27982845 [0,2,0,0,0,0|2,0,0]=4 11953 B12R1.125 C[C@@H](O)COc1ccccc1F Amb27754541 [0,2,0,0,0,0|1,0,0]=3 11954 B12R1.125 C[C@@H](O)COc1ccccc1I Amb35687744 [0,2,0,0,0,0|1,0,0]=3 11955 B12R1.125 C[C@@H](O)CSc1ccccc1O Amb27466695 [0,2,0,0,0,0|1,0,0]=3 11956 B12R1.125 C[C@H](N)CCc1ccccc1Br Amb27812499 [0,2,0,0,0,0|1,0,0]=3 11957 B12R1.125 C[C@H](N)CCc1ccccc1Cl Amb24470862 [0,2,0,0,0,0|1,0,0]=3 11958 B12R1.125 C[C@H](N)CCc1ccccc1F Amb26946665 [0,2,0,0,0,0|1,0,0]=3 11959 B12R1.125 C[C@H](N)CCc1ccccc1N Amb28201211 [0,2,0,0,0,0|1,0,0]=3 11960 B12R1.125 C[C@H](N)CCc1ccccc1O Amb25149919 [0,2,0,0,0,0|1,0,0]=3 11961 B12R1.125 C[C@H](N)CCc1cccnc1Br Amb33387784 [0,2,0,0,0,0|2,0,0]=4 11962 B12R1.125 C[C@H](N)CCc1cccnc1Cl Amb33257031 [0,2,0,0,0,0|2,0,0]=4 11963 B12R1.125 C[C@H](N)CCc1cccnc1F Amb33377662 [0,2,0,0,0,0|2,0,0]=4 11964 B12R1.125 C[C@H](N)CCc1ccncc1Br Amb33388606 [0,2,0,0,0,0|2,0,0]=4 11965 B12R1.125 C[C@H](N)CCc1ccncc1Cl Amb33413799 [0,2,0,0,0,0|2,0,0]=4 11966 B12R1.125 C[C@H](N)CCc1ccncc1F Amb33317435 [0,2,0,0,0,0|2,0,0]=4 11967 B12R1.125 C[C@H](N)CCc1ncccc1Br Amb33337343 [0,2,0,0,0,0|2,0,0]=4 11968 B12R1.125 C[C@H](N)CCc1ncccc1F Amb33418888 [0,2,0,0,0,0|2,0,0]=4 11969 B12R1.125 C[C@H](N)COc1ccccc1I Amb29850633 [0,2,0,0,0,0|2,0,0]=4 11970 B12R1.125 C[C@H](O)CCc1ccccc1Br Amb33387628 [0,2,0,0,0,0|0,0,0]=2 11971 B12R1.125 C[C@H](O)CCc1ccccc1Cl Amb33052594 [0,2,0,0,0,0|0,0,0]=2 11972 B12R1.125 C[C@H](O)CCc1ccccc1F Amb33361482 [0,2,0,0,0,0|0,0,0]=2 11973 B12R1.125 C[C@H](O)CCc1ccccc1O Amb33196408 [0,2,0,0,0,0|0,0,0]=2 11974 B12R1.125 C[C@H](O)CCc1cccnc1Br Amb33387783 [0,2,0,0,0,0|1,0,0]=3 11975 B12R1.125 C[C@H](O)CCc1cccnc1Cl Amb33257023 [0,2,0,0,0,0|1,0,0]=3 11976 B12R1.125 C[C@H](O)CCc1cccnc1F Amb33377665 [0,2,0,0,0,0|1,0,0]=3 11977 B12R1.125 C[C@H](O)CCc1ccncc1Br Amb33388502 [0,2,0,0,0,0|1,0,0]=3 11978 B12R1.125 C[C@H](O)CCc1ccncc1Cl Amb33413788 [0,2,0,0,0,0|1,0,0]=3 11979 B12R1.125 C[C@H](O)CCc1ccncc1F Amb33317438 [0,2,0,0,0,0|1,0,0]=3 11980 B12R1.125 C[C@H](O)CCc1ncccc1Br Amb33337344 [0,2,0,0,0,0|1,0,0]=3 11981 B12R1.125 C[C@H](O)CCc1ncccc1F Amb33418796 [0,2,0,0,0,0|1,0,0]=3 11982 B12R1.125 C[C@H](O)CNc1ccccc1Br Amb27213619 [0,2,0,0,0,0|1,0,0]=3 11983 B12R1.125 C[C@H](O)CNc1ccccc1Cl Amb28244269 [0,2,0,0,0,0|1,0,0]=3 11984 B12R1.125 C[C@H](O)COc1ccccc1Br Amb28244310 [0,2,0,0,0,0|1,0,0]=3 11985 B12R1.125 C[C@H](O)COc1ccccc1I Amb35687743 [0,2,0,0,0,0|1,0,0]=3 11986 B12R1.125 C[C@H](O)CSc1ncccc1Cl Amb28244219 [0,2,0,0,0,0|2,0,0]=4 11987 B12R1.125 Cc1cccc[n+]1CCC(=O)O Amb31127611 [0,2,0,0,0,0|1,0,1]=4 11988 B12R1.125 Cc1ccccc1CCC(=N)N Amb18065464 [0,2,0,0,0,0|1,0,1]=4 11989 B12R1.125 Cc1ccccc1CCC(=O)Cl Amb19066206 [0,2,0,0,0,0|0,0,2]=4 11990 B12R1.125 Cc1ccccc1CCC(=O)O Amb2689629 [0,2,0,0,0,0|0,0,1]=3 11991 B12R1.125 Cc1ccccc1CCC(C)Br Amb27647242 [0,2,0,0,0,0|1,0,0]=3 11992 B12R1.125 Cc1ccccc1CCC(C)C Amb8394140 [0,2,0,0,0,0|1,0,0]=3 11993 B12R1.125 Cc1ccccc1CCC(C)N Amb9031759 [0,2,0,0,0,0|1,0,0]=3 11994 B12R1.125 Cc1ccccc1CCC(C)O Amb18800836 [0,2,0,0,0,0|0,0,0]=2 11995 B12R1.125 Cc1ccccc1CCC(N)=O Amb17400134 [0,2,0,0,0,0|0,0,2]=4 11996 B12R1.125 Cc1ccccc1CCN(C)N Amb18563651 [0,2,0,0,0,0|2,0,0]=4 11997 B12R1.125 Cc1ccccc1CC[C@@H](C)N Amb33225585 [0,2,0,0,0,0|1,0,0]=3 11998 B12R1.125 Cc1ccccc1CC[C@@H](C)O Amb33360566 [0,2,0,0,0,0|0,0,0]=2 11999 B12R1.125 Cc1ccccc1CC[C@H](C)N Amb26611454 [0,2,0,0,0,0|1,0,0]=3 12000 B12R1.125 Cc1ccccc1CC[C@H](C)O Amb33360567 [0,2,0,0,0,0|0,0,0]=2 12001 B12R1.125 Cc1ccccc1CC[N+](=O)[O-] Amb17400176 [0,2,0,0,0,0|1,0,1]=4 12002 B12R1.125 Cc1ccccc1CNC(C)C Amb2118769 [0,2,0,0,0,0|2,0,0]=4 12003 B12R1.125 Cc1ccccc1CNC(C)C Amb6243580 [0,2,0,0,0,0|2,0,0]=4 12004 B12R1.125 Cc1ccccc1CSC(F)F Amb27187581 [0,2,0,0,0,0|2,0,0]=4 12005 B12R1.125 Cc1ccccc1NCC(=O)O Amb1258286 [0,2,0,0,0,0|1,0,1]=4 12006 B12R1.125 Cc1ccccc1NCC(C)C Amb6701131 [0,2,0,0,0,0|2,0,0]=4 12007 B12R1.125 Cc1ccccc1NCC(C)N Amb25913696 [0,2,0,0,0,0|2,0,0]=4 12008 B12R1.125 Cc1ccccc1NCC(C)O Amb17138592 [0,2,0,0,0,0|1,0,0]=3 12009 B12R1.125 Cc1ccccc1NCC(C)S Amb27658986 [0,2,0,0,0,0|1,1,0]=4 12010 B12R1.125 Cc1ccccc1OCC(=O)O Amb1215022 [0,2,0,0,0,0|1,0,1]=4 12011 B12R1.125 Cc1ccccc1OCC(C)N Amb9756347 [0,2,0,0,0,0|2,0,0]=4 12012 B12R1.125 Cc1ccccc1OCC(C)O Amb18182639 [0,2,0,0,0,0|1,0,0]=3 12013 B12R1.125 Cc1ccccc1OC[C@@H](C)N Amb18538491 [0,2,0,0,0,0|2,0,0]=4 12014 B12R1.125 Cc1ccccc1OC[C@@H](C)O Amb27225582 [0,2,0,0,0,0|1,0,0]=3 12015 B12R1.125 Cc1ccccc1SCC(=O)O Amb1205492 [0,2,0,0,0,0|1,0,1]=4 12016 B12R1.125 Cc1ccccc1SCC(C)C Amb25730826 [0,2,0,0,0,0|2,0,0]=4 12017 B12R1.125 Cc1ccccc1SCC(F)F Amb27647884 [0,2,0,0,0,0|2,0,0]=4 12018 B12R1.125 Cc1ccccc1SC[C@@H](C)N Amb27879389 [0,2,0,0,0,0|2,0,0]=4 12019 B12R1.125 Cc1ccccc1SC[C@H](C)O Amb28075850 [0,2,0,0,0,0|1,0,0]=3 12020 B12R1.125 Cc1ccccc1\C=C\C(C)O Amb27748478 [0,2,0,0,0,0|0,0,2]=4 12021 B12R1.125 Cc1cccnc1CCC(=O)O Amb8009794 [0,2,0,0,0,0|1,0,1]=4 12022 B12R1.125 Cc1cccnc1CCC(C)N Amb30029447 [0,2,0,0,0,0|2,0,0]=4 12023 B12R1.125 Cc1cccnc1CCC(C)O Amb27663089 [0,2,0,0,0,0|1,0,0]=3 12024 B12R1.125 Cc1cccnc1CC[C@@H](C)N Amb33428755 [0,2,0,0,0,0|2,0,0]=4 12025 B12R1.125 Cc1cccnc1CC[C@@H](C)O Amb33428756 [0,2,0,0,0,0|1,0,0]=3 12026 B12R1.125 Cc1cccnc1CC[C@H](C)N Amb33428754 [0,2,0,0,0,0|2,0,0]=4 12027 B12R1.125 Cc1cccnc1CC[C@H](C)O Amb33428790 [0,2,0,0,0,0|1,0,0]=3 12028 B12R1.125 Cc1cccnc1SC[C@@H](C)O Amb35678706 [0,2,0,0,0,0|2,0,0]=4 12029 B12R1.125 Cc1cccnc1SC[C@H](C)O Amb35678705 [0,2,0,0,0,0|2,0,0]=4 12030 B12R1.125 Cc1ccncc1CCC(=O)O Amb18828438 [0,2,0,0,0,0|1,0,1]=4 12031 B12R1.125 Cc1ccncc1CCC(C)N Amb28256045 [0,2,0,0,0,0|2,0,0]=4 12032 B12R1.125 Cc1ccncc1CCC(C)O Amb27149348 [0,2,0,0,0,0|1,0,0]=3 12033 B12R1.125 Cc1ccncc1CC[C@@H](C)N Amb33376700 [0,2,0,0,0,0|2,0,0]=4 12034 B12R1.125 Cc1ccncc1CC[C@@H](C)O Amb33376701 [0,2,0,0,0,0|1,0,0]=3 12035 B12R1.125 Cc1ccncc1CC[C@H](C)N Amb33376699 [0,2,0,0,0,0|2,0,0]=4 12036 B12R1.125 Cc1ccncc1CC[C@H](C)O Amb33377430 [0,2,0,0,0,0|1,0,0]=3 12037 B12R1.125 Cc1cnccc1CCC(=O)O Amb8009991 [0,2,0,0,0,0|1,0,1]=4 12038 B12R1.125 Cc1cnccc1CCC(C)N Amb28144798 [0,2,0,0,0,0|2,0,0]=4 12039 B12R1.125 Cc1cnccc1CCC(C)O Amb25986351 [0,2,0,0,0,0|1,0,0]=3 12040 B12R1.125 Cc1cnccc1CC[C@@H](C)N Amb33414173 [0,2,0,0,0,0|2,0,0]=4 12041 B12R1.125 Cc1cnccc1CC[C@@H](C)O Amb33414171 [0,2,0,0,0,0|1,0,0]=3 12042 B12R1.125 Cc1cnccc1CC[C@H](C)N Amb33414329 [0,2,0,0,0,0|2,0,0]=4 12043 B12R1.125 Cc1cnccc1CC[C@H](C)O Amb33414328 [0,2,0,0,0,0|1,0,0]=3 12044 B12R1.125 Cc1cnccc1NCC(C)O Amb27776003 [0,2,0,0,0,0|2,0,0]=4 12045 B12R1.125 Cc1ncccc1CCC(=O)O Amb18853387 [0,2,0,0,0,0|1,0,1]=4 12046 B12R1.125 Cc1ncccc1CCC(=O)O Amb31307907 [0,2,0,0,0,0|1,0,1]=4 12047 B12R1.125 Cc1ncccc1CCC(C)N Amb32879705 [0,2,0,0,0,0|2,0,0]=4 12048 B12R1.125 Cc1ncccc1CCC(C)O Amb26342122 [0,2,0,0,0,0|1,0,0]=3 12049 B12R1.125 Cc1ncccc1CC[C@@H](C)N Amb32879645 [0,2,0,0,0,0|2,0,0]=4 12050 B12R1.125 Cc1ncccc1CC[C@@H](C)O Amb32878985 [0,2,0,0,0,0|1,0,0]=3 12051 B12R1.125 Cc1ncccc1CC[C@H](C)N Amb32879644 [0,2,0,0,0,0|2,0,0]=4 12052 B12R1.125 Cc1ncccc1CC[C@H](C)O Amb32878987 [0,2,0,0,0,0|1,0,0]=3 12053 B12R1.125 Cc1nccnc1CCC(C)O Amb33142539 [0,2,0,0,0,0|2,0,0]=4 12054 B12R1.125 Cc1nccnc1CC[C@@H](C)O Amb33142194 [0,2,0,0,0,0|2,0,0]=4 12055 B12R1.125 Cc1nccnc1CC[C@H](C)O Amb33142196 [0,2,0,0,0,0|2,0,0]=4 12056 B12R1.125 Cc1ncncc1CCC(C)O Amb33268125 [0,2,0,0,0,0|2,0,0]=4 12057 B12R1.125 Cc1ncncc1CC[C@@H](C)O Amb33268122 [0,2,0,0,0,0|2,0,0]=4 12058 B12R1.125 Cc1ncncc1CC[C@H](C)O Amb33268123 [0,2,0,0,0,0|2,0,0]=4 12059 B12R1.125 FC(F)CNc1ccccc1Cl Amb18320405 [0,2,0,0,0,0|2,0,0]=4 12060 B12R1.125 FC(F)COc1ccccc1Br Amb22008304 [0,2,0,0,0,0|2,0,0]=4 12061 B12R1.125 FC(F)COc1ccccc1Cl Amb27439521 [0,2,0,0,0,0|2,0,0]=4 12062 B12R1.125 FC(F)CSc1ccccc1Br Amb10976061 [0,2,0,0,0,0|2,0,0]=4 12063 B12R1.125 FC(F)SCc1ccccc1Cl Amb33191036 [0,2,0,0,0,0|2,0,0]=4 12064 B12R1.125 Fc1ccccc1NCC(F)F Amb18795536 [0,2,0,0,0,0|2,0,0]=4 12065 B12R1.125 Fc1ccccc1OCC(F)F Amb28383314 [0,2,0,0,0,0|2,0,0]=4 12066 B12R1.125 Fc1ccccc1SCC(Cl)Cl Amb27977314 [0,2,0,0,0,0|2,0,0]=4 12067 B12R1.125 N=C(N)CCc1ccccc1Br Amb18070244 [0,2,0,0,0,0|1,0,1]=4 12068 B12R1.125 N=C(N)CCc1ccccc1Cl Amb10844871 [0,2,0,0,0,0|1,0,1]=4 12069 B12R1.125 N=C(N)CCc1ccccc1F Amb18563718 [0,2,0,0,0,0|1,0,1]=4 12070 B12R1.125 NC(=O)CCc1ccccc1Br Amb11468216 [0,2,0,0,0,0|0,0,2]=4 12071 B12R1.125 NC(=O)CCc1ccccc1Cl Amb2142514 [0,2,0,0,0,0|0,0,2]=4 12072 B12R1.125 NC(=O)CCc1ccccc1F Amb8341221 [0,2,0,0,0,0|0,0,2]=4 12073 B12R1.125 NC(=O)CCc1ccccc1N Amb8941622 [0,2,0,0,0,0|0,0,2]=4 12074 B12R1.125 NC(=O)CCc1ccccc1O Amb2695332 [0,2,0,0,0,0|0,0,2]=4 12075 B12R1.125 Nc1ccccc1CCC(=O)O Amb17477727 [0,2,0,0,0,0|0,0,1]=3 12076 B12R1.125 Nc1ccccc1CCC(=O)O Amb24118035 [0,2,0,0,0,0|0,0,1]=3 12077 B12R1.125 Nc1ccccc1CCC(=O)[O-] Amb34189651 [0,2,0,0,0,0|0,0,2]=4 12078 B12R1.125 Nc1ccccc1CCC(F)F Amb27958848 [0,2,0,0,0,0|1,0,0]=3 12079 B12R1.125 Nc1ccccc1NCS(=O)O Amb27986124 [0,2,0,0,0,0|2,0,0]=4 12080 B12R1.125 Nc1ccccc1OCC(=O)O Amb4065760 [0,2,0,0,0,0|1,0,1]=4 12081 B12R1.125 Nc1ccccc1OCC(F)F Amb6889913 [0,2,0,0,0,0|2,0,0]=4 12082 B12R1.125 Nc1ccccc1SCC(=O)O Amb6267584 [0,2,0,0,0,0|1,0,1]=4 12083 B12R1.125 Nc1ccccc1SCC(F)F Amb6890376 [0,2,0,0,0,0|2,0,0]=4 12084 B12R1.125 O=C(Cl)CCc1ccccc1Br Amb19888630 [0,2,0,0,0,0|0,0,2]=4 12085 B12R1.125 O=C(Cl)CCc1ccccc1Cl Amb25061965 [0,2,0,0,0,0|0,0,2]=4 12086 B12R1.125 O=C(Cl)CCc1ccccc1F Amb10838958 [0,2,0,0,0,0|0,0,2]=4 12087 B12R1.125 O=C(O)CCC1=CNC=CC1=O Amb33470235 [0,2,0,0,0,0|1,0,1]=4 12088 B12R1.125 O=C(O)CCN1C=CC=CC1=O Amb18534261 [0,2,0,0,0,0|1,0,1]=4 12089 B12R1.125 O=C(O)CCN1C=CC=CC1=S Amb28076674 [0,2,0,0,0,0|1,0,1]=4 12090 B12R1.125 O=C(O)CCc1ccccc1Br Amb2685458 [0,2,0,0,0,0|0,0,1]=3 12091 B12R1.125 O=C(O)CCc1ccccc1Cl Amb1209214 [0,2,0,0,0,0|0,0,1]=3 12092 B12R1.125 O=C(O)CCc1ccccc1F Amb6336154 [0,2,0,0,0,0|0,0,1]=3 12093 B12R1.125 O=C(O)CCc1ccccc1I Amb10071543 [0,2,0,0,0,0|0,0,1]=3 12094 B12R1.125 O=C(O)CCc1ccccc1O Amb1211927 [0,2,0,0,0,0|0,0,1]=3 12095 B12R1.125 O=C(O)CCc1ccccc1S Amb18648646 [0,2,0,0,0,0|0,0,1]=3 12096 B12R1.125 O=C(O)CCc1cccnc1Br Amb24525068 [0,2,0,0,0,0|1,0,1]=4 12097 B12R1.125 O=C(O)CCc1cccnc1Cl Amb24484270 [0,2,0,0,0,0|1,0,1]=4 12098 B12R1.125 O=C(O)CCc1cccnc1F Amb25295347 [0,2,0,0,0,0|1,0,1]=4 12099 B12R1.125 O=C(O)CCc1ccncc1Br Amb33242388 [0,2,0,0,0,0|1,0,1]=4 12100 B12R1.125 O=C(O)CCc1ccncc1Cl Amb23596515 [0,2,0,0,0,0|1,0,1]=4 12101 B12R1.125 O=C(O)CCc1ccncc1F Amb26644078 [0,2,0,0,0,0|1,0,1]=4 12102 B12R1.125 O=C(O)CCc1ccncc1O Amb27201932 [0,2,0,0,0,0|1,0,1]=4 12103 B12R1.125 O=C(O)CCc1ncccc1Br Amb25898946 [0,2,0,0,0,0|1,0,1]=4 12104 B12R1.125 O=C(O)CCc1ncccc1Cl Amb33470280 [0,2,0,0,0,0|1,0,1]=4 12105 B12R1.125 O=C(O)CCc1ncccc1F Amb25311377 [0,2,0,0,0,0|1,0,1]=4 12106 B12R1.125 O=C(O)CCc1ncccc1O Amb28249996 [0,2,0,0,0,0|1,0,1]=4 12107 B12R1.125 O=C(O)CNc1ccccc1Br Amb840526 [0,2,0,0,0,0|1,0,1]=4 12108 B12R1.125 O=C(O)CNc1ccccc1Cl Amb33528017 [0,2,0,0,0,0|1,0,1]=4 12109 B12R1.125 O=C(O)CNc1ccccc1F Amb840521 [0,2,0,0,0,0|1,0,1]=4 12110 B12R1.125 O=C(O)CNc1ccccc1O Amb842591 [0,2,0,0,0,0|1,0,1]=4 12111 B12R1.125 O=C(O)COc1ccccc1Br Amb6364728 [0,2,0,0,0,0|1,0,1]=4 12112 B12R1.125 O=C(O)COc1ccccc1Cl Amb6336452 [0,2,0,0,0,0|1,0,1]=4 12113 B12R1.125 O=C(O)COc1ccccc1F Amb6335614 [0,2,0,0,0,0|1,0,1]=4 12114 B12R1.125 O=C(O)COc1ccccc1I Amb9339538 [0,2,0,0,0,0|1,0,1]=4 12115 B12R1.125 O=C(O)COc1ccccc1O Amb1030005 [0,2,0,0,0,0|1,0,1]=4 12116 B12R1.125 O=C(O)CSc1ccccc1Br Amb1113386 [0,2,0,0,0,0|1,0,1]=4 12117 B12R1.125 O=C(O)CSc1ccccc1Cl Amb1105912 [0,2,0,0,0,0|1,0,1]=4 12118 B12R1.125 O=C(O)CSc1ccccc1F Amb1105913 [0,2,0,0,0,0|1,0,1]=4 12119 B12R1.125 O=C(O)CSc1ccccc1O Amb18294823 [0,2,0,0,0,0|1,0,1]=4 12120 B12R1.125 O=C([O-])CCc1ccccc1F Amb15692476 [0,2,0,0,0,0|0,0,2]=4 12121 B12R1.125 O=S([O-])CCc1ccccc1Br Amb32755052 [0,2,0,0,0,0|1,0,1]=4 12122 B12R1.125 O=S([O-])CCc1ccccc1Cl Amb32755617 [0,2,0,0,0,0|1,0,1]=4 12123 B12R1.125 O=S([O-])CCc1ccccc1F Amb32755634 [0,2,0,0,0,0|1,0,1]=4 12124 B12R1.125 O=[N+]([O-])CCc1ccccc1Br Amb26372563 [0,2,0,0,0,0|1,0,1]=4 12125 B12R1.125 O=[N+]([O-])CCc1ccccc1Cl Amb17401072 [0,2,0,0,0,0|1,0,1]=4 12126 B12R1.125 O=[N+]([O-])CCc1ccccc1F Amb17400297 [0,2,0,0,0,0|1,0,1]=4 12127 B12R1.125 O=[N+]([O-])CCc1ccccc1O Amb25892692 [0,2,0,0,0,0|1,0,1]=4 12128 B12R1.125 OB(O)CCc1ccccc1Br Amb27986176 [0,2,0,0,0,0|1,0,0]=3 12129 B12R1.125 OB(O)CCc1ccccc1Cl Amb27639202 [0,2,0,0,0,0|1,0,0]=3 12130 B12R1.125 OB(O)CCc1ccccc1F Amb26016822 [0,2,0,0,0,0|1,0,0]=3 12131 B12R1.125 Oc1ccccc1OCC(F)F Amb18795191 [0,2,0,0,0,0|2,0,0]=4 12132 B12R1.267 BrCCCCc1ccccc1Br Amb34914026 [0,2,0,0,0,0|1,0,0]=3 12133 B12R1.267 BrCCCOc1ccccc1Br Amb8517103 [0,2,0,0,0,0|1,0,0]=3 12134 B12R1.267 Brc1ccccc1CCCCI Amb34914024 [0,2,0,0,0,0|1,0,0]=3 12135 B12R1.267 C#CCCCN1C=CC=CC1=O Amb27235178 [0,2,0,0,0,0|2,0,0]=4 12136 B12R1.267 C#CCCCc1cccnc1N Amb27173654 [0,2,0,0,0,0|2,0,0]=4 12137 B12R1.267 C#CCCNc1ccccc1Br Amb28133302 [0,2,0,0,0,0|1,0,1]=4 12138 B12R1.267 C#CCCNc1ccccc1I Amb27401663 [0,2,0,0,0,0|1,0,1]=4 12139 B12R1.267 C#CCCOc1ccccc1C Amb27397416 [0,2,0,0,0,0|1,0,1]=4 12140 B12R1.267 C#CCCOc1ccccc1I Amb27869109 [0,2,0,0,0,0|1,0,1]=4 12141 B12R1.267 C#CCCOc1ccccc1N Amb18290041 [0,2,0,0,0,0|1,0,1]=4 12142 B12R1.267 C#CCNCc1ccccc1C Amb21979502 [0,2,0,0,0,0|1,0,1]=4 12143 B12R1.267 C#CCNCc1ccccc1C Amb6683555 [0,2,0,0,0,0|1,0,1]=4 12144 B12R1.267 C#CCNCc1ccccc1Cl Amb1925447 [0,2,0,0,0,0|1,0,1]=4 12145 B12R1.267 C#CCNCc1ccccc1Cl Amb6868432 [0,2,0,0,0,0|1,0,1]=4 12146 B12R1.267 C#CCNCc1ccccc1F Amb21979501 [0,2,0,0,0,0|1,0,1]=4 12147 B12R1.267 C#CCNCc1ccccc1F Amb6683727 [0,2,0,0,0,0|1,0,1]=4 12148 B12R1.267 C#CCNCc1ccccc1I Amb28317561 [0,2,0,0,0,0|1,0,1]=4 12149 B12R1.267 C#CCNCc1ccccc1O Amb6683601 [0,2,0,0,0,0|1,0,1]=4 12150 B12R1.267 C#CCSCc1ccccc1Cl Amb28422116 [0,2,0,0,0,0|1,0,1]=4 12151 B12R1.267 C=CCCCc1ccccc1Br Amb32654215 [0,2,0,0,0,0|1,0,0]=3 12152 B12R1.267 C=CCCOc1ccccc1Br Amb22232193 [0,2,0,0,0,0|1,0,1]=4 12153 B12R1.267 C=CCNCc1ccccc1Br Amb20673595 [0,2,0,0,0,0|1,0,1]=4 12154 B12R1.267 C=CCNCc1ccccc1Br Amb6683971 [0,2,0,0,0,0|1,0,1]=4 12155 B12R1.267 C=CCNCc1ccccc1C Amb6683786 [0,2,0,0,0,0|1,0,1]=4 12156 B12R1.267 C=CCNCc1ccccc1C Amb6865276 [0,2,0,0,0,0|1,0,1]=4 12157 B12R1.267 C=CCNCc1ccccc1Cl Amb6683768 [0,2,0,0,0,0|1,0,1]=4 12158 B12R1.267 C=CCNCc1ccccc1Cl Amb6865275 [0,2,0,0,0,0|1,0,1]=4 12159 B12R1.267 C=CCNCc1ccccc1F Amb10609764 [0,2,0,0,0,0|1,0,1]=4 12160 B12R1.267 C=CCNCc1ccccc1F Amb2721870 [0,2,0,0,0,0|1,0,1]=4 12161 B12R1.267 C=CCNCc1ccccc1O Amb19890804 [0,2,0,0,0,0|1,0,1]=4 12162 B12R1.267 C=CCNCc1ccccc1O Amb6683831 [0,2,0,0,0,0|1,0,1]=4 12163 B12R1.267 C=CCOCc1ccccc1F Amb22227646 [0,2,0,0,0,0|1,0,1]=4 12164 B12R1.267 CCCC#Cc1ccccc1Br Amb25676440 [0,2,0,0,0,0|1,0,1]=4 12165 B12R1.267 CCCC#Cc1ccccc1C Amb27599818 [0,2,0,0,0,0|1,0,1]=4 12166 B12R1.267 CCCC#Cc1ccccc1Cl Amb26347731 [0,2,0,0,0,0|1,0,1]=4 12167 B12R1.267 CCCC#Cc1ccccc1F Amb27952893 [0,2,0,0,0,0|1,0,1]=4 12168 B12R1.267 CCCC#Cc1ccccc1I Amb26861404 [0,2,0,0,0,0|1,0,1]=4 12169 B12R1.267 CCCC#Cc1ccccc1N Amb25238355 [0,2,0,0,0,0|1,0,1]=4 12170 B12R1.267 CCCC#Cc1ccccc1O Amb26883333 [0,2,0,0,0,0|1,0,1]=4 12171 B12R1.267 CCCCNc1ccccc1Br Amb6696452 [0,2,0,0,0,0|1,0,0]=3 12172 B12R1.267 CCCCNc1ccccc1C Amb4016420 [0,2,0,0,0,0|1,0,0]=3 12173 B12R1.267 CCCCNc1ccccc1Cl Amb4313689 [0,2,0,0,0,0|1,0,0]=3 12174 B12R1.267 CCCCNc1ccccc1F Amb6697370 [0,2,0,0,0,0|1,0,0]=3 12175 B12R1.267 CCCCNc1ccccc1N Amb7767737 [0,2,0,0,0,0|1,0,0]=3 12176 B12R1.267 CCCCNc1ccccc1O Amb18646353 [0,2,0,0,0,0|1,0,0]=3 12177 B12R1.267 CCCCNc1cccnc1C Amb27616824 [0,2,0,0,0,0|2,0,0]=4 12178 B12R1.267 CCCCNc1cccnc1F Amb35725090 [0,2,0,0,0,0|2,0,0]=4 12179 B12R1.267 CCCCNc1ccncc1F Amb28063758 [0,2,0,0,0,0|2,0,0]=4 12180 B12R1.267 CCCCNc1ccncc1N Amb7767727 [0,2,0,0,0,0|2,0,0]=4 12181 B12R1.267 CCCCNc1ccncc1O Amb28240840 [0,2,0,0,0,0|2,0,0]=4 12182 B12R1.267 CCCCNc1ncccc1F Amb18314049 [0,2,0,0,0,0|2,0,0]=4 12183 B12R1.267 CCCCNc1ncccc1N Amb7767733 [0,2,0,0,0,0|2,0,0]=4 12184 B12R1.267 CCCCOC1=CC=CNC1=O Amb18034630 [0,2,0,0,0,0|2,0,0]=4 12185 B12R1.267 CCCCOc1ccccc1Br Amb6272446 [0,2,0,0,0,0|1,0,0]=3 12186 B12R1.267 CCCCOc1ccccc1N Amb1033054 [0,2,0,0,0,0|1,0,0]=3 12187 B12R1.267 CCCCOc1ccccc1O Amb8837327 [0,2,0,0,0,0|1,0,0]=3 12188 B12R1.267 CCCCOc1cccnc1Cl Amb20242808 [0,2,0,0,0,0|2,0,0]=4 12189 B12R1.267 CCCCOc1cccnc1N Amb9208363 [0,2,0,0,0,0|2,0,0]=4 12190 B12R1.267 CCCCOc1ccncc1N Amb8895012 [0,2,0,0,0,0|2,0,0]=4 12191 B12R1.267 CCCCOc1cnccc1N Amb33035436 [0,2,0,0,0,0|2,0,0]=4 12192 B12R1.267 CCCCOc1ncccc1Cl Amb24308905 [0,2,0,0,0,0|2,0,0]=4 12193 B12R1.267 CCCCOc1ncccc1N Amb8895018 [0,2,0,0,0,0|2,0,0]=4 12194 B12R1.267 CCCNCc1ccccc1Br Amb19892805 [0,2,0,0,0,0|1,0,0]=3 12195 B12R1.267 CCCNCc1ccccc1Br Amb6272793 [0,2,0,0,0,0|1,0,0]=3 12196 B12R1.267 CCCNCc1ccccc1C Amb6276128 [0,2,0,0,0,0|1,0,0]=3 12197 B12R1.267 CCCNCc1ccccc1C Amb6865254 [0,2,0,0,0,0|1,0,0]=3 12198 B12R1.267 CCCNCc1ccccc1Cl Amb6271434 [0,2,0,0,0,0|1,0,0]=3 12199 B12R1.267 CCCNCc1ccccc1Cl Amb6542582 [0,2,0,0,0,0|1,0,0]=3 12200 B12R1.267 CCCNCc1ccccc1F Amb6258177 [0,2,0,0,0,0|1,0,0]=3 12201 B12R1.267 CCCNCc1ccccc1F Amb6865253 [0,2,0,0,0,0|1,0,0]=3 12202 B12R1.267 CCCNCc1ccccc1O Amb20673481 [0,2,0,0,0,0|1,0,0]=3 12203 B12R1.267 CCCNCc1ccccc1O Amb6281040 [0,2,0,0,0,0|1,0,0]=3 12204 B12R1.267 CCCSCc1ccccc1Br Amb22228182 [0,2,0,0,0,0|1,0,0]=3 12205 B12R1.267 CCC\N=C\c1ccccc1O Amb24408352 [0,2,0,0,0,0|1,0,1]=4 12206 B12R1.267 CCNCCc1ccccc1C Amb8841498 [0,2,0,0,0,0|1,0,0]=3 12207 B12R1.267 CCNCCc1ccccc1Cl Amb8853702 [0,2,0,0,0,0|1,0,0]=3 12208 B12R1.267 CCNCCc1ccccc1F Amb6693099 [0,2,0,0,0,0|1,0,0]=3 12209 B12R1.267 CCOCOc1ccccc1Br Amb32729439 [0,2,0,0,0,0|2,0,0]=4 12210 B12R1.267 CNCCCc1ccccc1Br Amb17605546 [0,2,0,0,0,0|1,0,0]=3 12211 B12R1.267 CNCCCc1ccccc1C Amb17104499 [0,2,0,0,0,0|1,0,0]=3 12212 B12R1.267 CNCCCc1ccccc1Cl Amb17104507 [0,2,0,0,0,0|1,0,0]=3 12213 B12R1.267 CNCCCc1ccccc1F Amb17104502 [0,2,0,0,0,0|1,0,0]=3 12214 B12R1.267 CNCCNc1ccccc1C Amb15772130 [0,2,0,0,0,0|2,0,0]=4 12215 B12R1.267 CNCCOc1ccccc1Br Amb7798227 [0,2,0,0,0,0|2,0,0]=4 12216 B12R1.267 CNCCOc1ccccc1Br Amb8597811 [0,2,0,0,0,0|2,0,0]=4 12217 B12R1.267 CNCCOc1ccccc1C Amb1222745 [0,2,0,0,0,0|2,0,0]=4 12218 B12R1.267 CNCCOc1ccccc1C Amb2140560 [0,2,0,0,0,0|2,0,0]=4 12219 B12R1.267 CNCCOc1ccccc1Cl Amb1669286 [0,2,0,0,0,0|2,0,0]=4 12220 B12R1.267 CNCCOc1ccccc1Cl Amb34914122 [0,2,0,0,0,0|2,0,0]=4 12221 B12R1.267 CNCCOc1ccccc1F Amb1669285 [0,2,0,0,0,0|2,0,0]=4 12222 B12R1.267 CNCCOc1ccccc1N Amb17232613 [0,2,0,0,0,0|2,0,0]=4 12223 B12R1.267 COCC#Cc1ccccc1Br Amb28041413 [0,2,0,0,0,0|0,0,2]=4 12224 B12R1.267 COCC#Cc1ccccc1C Amb27617757 [0,2,0,0,0,0|0,0,2]=4 12225 B12R1.267 COCC#Cc1ccccc1Cl Amb25693189 [0,2,0,0,0,0|0,0,2]=4 12226 B12R1.267 COCC#Cc1ccccc1F Amb26597466 [0,2,0,0,0,0|0,0,2]=4 12227 B12R1.267 COCC#Cc1ccccc1I Amb26047613 [0,2,0,0,0,0|0,0,2]=4 12228 B12R1.267 COCC#Cc1ccccc1N Amb28121010 [0,2,0,0,0,0|0,0,2]=4 12229 B12R1.267 COCC#Cc1ccccc1O Amb27861309 [0,2,0,0,0,0|0,0,2]=4 12230 B12R1.267 COCCNc1ccccc1Br Amb6712141 [0,2,0,0,0,0|1,0,0]=3 12231 B12R1.267 COCCNc1ccccc1C Amb595420 [0,2,0,0,0,0|1,0,0]=3 12232 B12R1.267 COCCNc1ccccc1Cl Amb6712363 [0,2,0,0,0,0|1,0,0]=3 12233 B12R1.267 COCCNc1ccccc1F Amb6712555 [0,2,0,0,0,0|1,0,0]=3 12234 B12R1.267 COCCNc1ccccc1I Amb7785821 [0,2,0,0,0,0|1,0,0]=3 12235 B12R1.267 COCCNc1ccccc1N Amb7767474 [0,2,0,0,0,0|1,0,0]=3 12236 B12R1.267 COCCNc1cccnc1C Amb28043479 [0,2,0,0,0,0|2,0,0]=4 12237 B12R1.267 COCCNc1cccnc1Cl Amb27257672 [0,2,0,0,0,0|2,0,0]=4 12238 B12R1.267 COCCNc1cccnc1F Amb35725094 [0,2,0,0,0,0|2,0,0]=4 12239 B12R1.267 COCCNc1ccncc1Br Amb28120814 [0,2,0,0,0,0|2,0,0]=4 12240 B12R1.267 COCCNc1ccncc1F Amb30036543 [0,2,0,0,0,0|2,0,0]=4 12241 B12R1.267 COCCNc1ccncc1N Amb33529101 [0,2,0,0,0,0|2,0,0]=4 12242 B12R1.267 COCCNc1ncccc1Br Amb27837386 [0,2,0,0,0,0|2,0,0]=4 12243 B12R1.267 COCCNc1ncccc1F Amb18314046 [0,2,0,0,0,0|2,0,0]=4 12244 B12R1.267 COCCNc1ncccc1I Amb27805975 [0,2,0,0,0,0|2,0,0]=4 12245 B12R1.267 COCCNc1ncccc1N Amb9205201 [0,2,0,0,0,0|2,0,0]=4 12246 B12R1.267 COCCOc1ccccc1Br Amb6263904 [0,2,0,0,0,0|1,0,0]=3 12247 B12R1.267 COCCOc1ccccc1I Amb32413960 [0,2,0,0,0,0|1,0,0]=3 12248 B12R1.267 COCCOc1ccccc1N Amb22492333 [0,2,0,0,0,0|1,0,0]=3 12249 B12R1.267 COCCOc1ccccc1N Amb840085 [0,2,0,0,0,0|1,0,0]=3 12250 B12R1.267 COCCOc1ccccc1O Amb8837338 [0,2,0,0,0,0|1,0,0]=3 12251 B12R1.267 COCCOc1cccnc1Cl Amb22642366 [0,2,0,0,0,0|2,0,0]=4 12252 B12R1.267 COCCOc1ccncc1N Amb7765148 [0,2,0,0,0,0|2,0,0]=4 12253 B12R1.267 COCCOc1cnccc1N Amb33035236 [0,2,0,0,0,0|2,0,0]=4 12254 B12R1.267 COCCOc1ncccc1Br Amb19448504 [0,2,0,0,0,0|2,0,0]=4 12255 B12R1.267 COCCOc1ncccc1N Amb6251609 [0,2,0,0,0,0|2,0,0]=4 12256 B12R1.267 COCOCc1ccccc1Br Amb21964629 [0,2,0,0,0,0|1,0,0]=3 12257 B12R1.267 COCOCc1ccccc1F Amb28464076 [0,2,0,0,0,0|1,0,0]=3 12258 B12R1.267 CO\N=C\Cc1ccccc1F Amb28138336 [0,2,0,0,0,0|1,0,1]=4 12259 B12R1.267 CSCCNc1ccccc1Br Amb27875069 [0,2,0,0,0,0|1,1,0]=4 12260 B12R1.267 CSCCNc1ccccc1I Amb28044651 [0,2,0,0,0,0|1,1,0]=4 12261 B12R1.267 CSCCNc1ccccc1N Amb27863236 [0,2,0,0,0,0|1,1,0]=4 12262 B12R1.267 C\C=C\CCc1ccccc1C Amb27267945 [0,2,0,0,0,0|1,0,1]=4 12263 B12R1.267 Cc1ccccc1C=C=CCO Amb28435849 [0,2,0,0,0,0|0,0,2]=4 12264 B12R1.267 Cc1ccccc1CCCC#N Amb24502058 [0,2,0,0,0,0|1,0,0]=3 12265 B12R1.267 Cc1ccccc1CCCC=O Amb18645710 [0,2,0,0,0,0|0,0,1]=3 12266 B12R1.267 Cc1ccccc1CCCCBr Amb34914032 [0,2,0,0,0,0|1,0,0]=3 12267 B12R1.267 Cc1ccccc1CCCCN Amb17991254 [0,2,0,0,0,0|1,0,0]=3 12268 B12R1.267 Cc1ccccc1CCCCN Amb5735492 [0,2,0,0,0,0|1,0,0]=3 12269 B12R1.267 Cc1ccccc1CCCCO Amb34913207 [0,2,0,0,0,0|0,0,0]=2 12270 B12R1.267 Cc1ccccc1CCCCS Amb18564154 [0,2,0,0,0,0|0,1,0]=3 12271 B12R1.267 Cc1ccccc1CCCON Amb17089549 [0,2,0,0,0,0|0,0,0]=2 12272 B12R1.267 Cc1ccccc1CCN=C=O Amb17232365 [0,2,0,0,0,0|0,0,2]=4 12273 B12R1.267 Cc1ccccc1CCN=C=S Amb17233308 [0,2,0,0,0,0|0,1,1]=4 12274 B12R1.267 Cc1ccccc1CCN=[N+]=[N-] Amb26334709 [0,2,0,0,0,0|2,0,0]=4 12275 B12R1.267 Cc1ccccc1CNCC#N Amb17400074 [0,2,0,0,0,0|1,0,1]=4 12276 B12R1.267 Cc1ccccc1CNCCN Amb9174055 [0,2,0,0,0,0|1,0,0]=3 12277 B12R1.267 Cc1ccccc1CNCCO Amb6865192 [0,2,0,0,0,0|0,0,0]=2 12278 B12R1.267 Cc1ccccc1CNCCO Amb7757032 [0,2,0,0,0,0|0,0,0]=2 12279 B12R1.267 Cc1ccccc1COCCN Amb17061814 [0,2,0,0,0,0|1,0,0]=3 12280 B12R1.267 Cc1ccccc1CSCC#N Amb17501732 [0,2,0,0,0,0|1,0,1]=4 12281 B12R1.267 Cc1ccccc1CSCC=O Amb18184909 [0,2,0,0,0,0|0,0,2]=4 12282 B12R1.267 Cc1ccccc1CSCCN Amb844773 [0,2,0,0,0,0|1,0,0]=3 12283 B12R1.267 Cc1ccccc1NCCC#N Amb2794093 [0,2,0,0,0,0|1,0,1]=4 12284 B12R1.267 Cc1ccccc1NCCCF Amb27757671 [0,2,0,0,0,0|1,0,0]=3 12285 B12R1.267 Cc1ccccc1NCCCN Amb17057721 [0,2,0,0,0,0|1,0,0]=3 12286 B12R1.267 Cc1ccccc1NCCCO Amb17306598 [0,2,0,0,0,0|0,0,0]=2 12287 B12R1.267 Cc1ccccc1OCCC#N Amb1635755 [0,2,0,0,0,0|1,0,1]=4 12288 B12R1.267 Cc1ccccc1OCCC=O Amb5731759 [0,2,0,0,0,0|0,0,2]=4 12289 B12R1.267 Cc1ccccc1OCCCBr Amb2795769 [0,2,0,0,0,0|1,0,0]=3 12290 B12R1.267 Cc1ccccc1OCCCCl Amb1141955 [0,2,0,0,0,0|1,0,0]=3 12291 B12R1.267 Cc1ccccc1OCCCN Amb1136099 [0,2,0,0,0,0|1,0,0]=3 12292 B12R1.267 Cc1ccccc1OCCCO Amb9370674 [0,2,0,0,0,0|0,0,0]=2 12293 B12R1.267 Cc1ccccc1OCCCS Amb17233940 [0,2,0,0,0,0|0,1,0]=3 12294 B12R1.267 Cc1ccccc1OCCNN Amb2282444 [0,2,0,0,0,0|2,0,0]=4 12295 B12R1.267 Cc1ccccc1OCCNN Amb2370790 [0,2,0,0,0,0|2,0,0]=4 12296 B12R1.267 Cc1ccccc1OCCNO Amb17088414 [0,2,0,0,0,0|1,0,0]=3 12297 B12R1.267 Cc1ccccc1OCCON Amb17088288 [0,2,0,0,0,0|1,0,0]=3 12298 B12R1.267 Cc1ccccc1SCCC=O Amb18178931 [0,2,0,0,0,0|0,0,2]=4 12299 B12R1.267 Cc1ccccc1\C=C\CCBr Amb17246876 [0,2,0,0,0,0|1,0,1]=4 12300 B12R1.267 Cc1ccccc1\C=C\CCCl Amb17233777 [0,2,0,0,0,0|1,0,1]=4 12301 B12R1.267 Cc1ccccc1\C=C\CCN Amb17232386 [0,2,0,0,0,0|1,0,1]=4 12302 B12R1.267 Cc1ccccc1\C=C\CCO Amb27978430 [0,2,0,0,0,0|0,0,1]=3 12303 B12R1.267 Cc1cccnc1CCCC=O Amb33360222 [0,2,0,0,0,0|1,0,1]=4 12304 B12R1.267 Cc1cccnc1CCCCN Amb32953263 [0,2,0,0,0,0|2,0,0]=4 12305 B12R1.267 Cc1cccnc1NCCCCl Amb28204602 [0,2,0,0,0,0|2,0,0]=4 12306 B12R1.267 Cc1cccnc1OCCCN Amb18308492 [0,2,0,0,0,0|2,0,0]=4 12307 B12R1.267 Cc1ccncc1CCCC=O Amb33375282 [0,2,0,0,0,0|1,0,1]=4 12308 B12R1.267 Cc1ccncc1CCCCN Amb18828701 [0,2,0,0,0,0|2,0,0]=4 12309 B12R1.267 Cc1ccncc1CNCCO Amb32663033 [0,2,0,0,0,0|1,0,0]=3 12310 B12R1.267 Cc1ccncc1OCCCN Amb33377410 [0,2,0,0,0,0|2,0,0]=4 12311 B12R1.267 Cc1cnccc1CCCC=O Amb33426425 [0,2,0,0,0,0|1,0,1]=4 12312 B12R1.267 Cc1cnccc1CCCCN Amb33426428 [0,2,0,0,0,0|2,0,0]=4 12313 B12R1.267 Cc1cnccc1NCCCCl Amb28187738 [0,2,0,0,0,0|2,0,0]=4 12314 B12R1.267 Cc1cnccc1NCCCF Amb27479622 [0,2,0,0,0,0|2,0,0]=4 12315 B12R1.267 Cc1cnccc1NCCCO Amb27426567 [0,2,0,0,0,0|1,0,0]=3 12316 B12R1.267 Cc1cnccc1OCCCN Amb33429247 [0,2,0,0,0,0|2,0,0]=4 12317 B12R1.267 Cc1ncccc1CCCC=O Amb32878337 [0,2,0,0,0,0|1,0,1]=4 12318 B12R1.267 Cc1ncccc1CCCCN Amb32881346 [0,2,0,0,0,0|2,0,0]=4 12319 B12R1.267 Cc1ncccc1OCCCN Amb33358632 [0,2,0,0,0,0|2,0,0]=4 12320 B12R1.267 ClCCCNc1ccncc1Cl Amb28140916 [0,2,0,0,0,0|2,0,0]=4 12321 B12R1.267 ClCCCNc1ncccc1Cl Amb27805829 [0,2,0,0,0,0|2,0,0]=4 12322 B12R1.267 ClCCCOc1ccccc1Br Amb6260781 [0,2,0,0,0,0|1,0,0]=3 12323 B12R1.267 ClCCCOc1ccccc1Cl Amb1135755 [0,2,0,0,0,0|1,0,0]=3 12324 B12R1.267 ClCCCSc1ccccc1Cl Amb6662701 [0,2,0,0,0,0|1,0,0]=3 12325 B12R1.267 ClCC\C=C\c1ccccc1Cl Amb17237226 [0,2,0,0,0,0|1,0,1]=4 12326 B12R1.267 Clc1ccccc1CCCCBr Amb34914033 [0,2,0,0,0,0|1,0,0]=3 12327 B12R1.267 Clc1ccccc1OCCCBr Amb8517138 [0,2,0,0,0,0|1,0,0]=3 12328 B12R1.267 Clc1ccccc1\C=C\CCBr Amb17258089 [0,2,0,0,0,0|1,0,1]=4 12329 B12R1.267 FCCCNc1ccncc1Br Amb28127377 [0,2,0,0,0,0|2,0,0]=4 12330 B12R1.267 FCCCNc1ccncc1Cl Amb27831171 [0,2,0,0,0,0|2,0,0]=4 12331 B12R1.267 FCCCNc1ccncc1F Amb30036544 [0,2,0,0,0,0|2,0,0]=4 12332 B12R1.267 Fc1ccccc1C#CCCCl Amb19074251 [0,2,0,0,0,0|1,0,1]=4 12333 B12R1.267 Fc1ccccc1CCCCBr Amb34914037 [0,2,0,0,0,0|1,0,0]=3 12334 B12R1.267 Fc1ccccc1CCCCI Amb34914090 [0,2,0,0,0,0|1,0,0]=3 12335 B12R1.267 Fc1ccccc1CCCCS Amb18066143 [0,2,0,0,0,0|0,1,0]=3 12336 B12R1.267 Fc1ccccc1CCN=C=S Amb5750750 [0,2,0,0,0,0|0,1,1]=4 12337 B12R1.267 Fc1ccccc1OCCCBr Amb7089048 [0,2,0,0,0,0|1,0,0]=3 12338 B12R1.267 Fc1ccccc1OCCCCl Amb1131839 [0,2,0,0,0,0|1,0,0]=3 12339 B12R1.267 Fc1ccccc1OCCCS Amb17234296 [0,2,0,0,0,0|0,1,0]=3 12340 B12R1.267 Fc1ccccc1\C=C\CCBr Amb17248420 [0,2,0,0,0,0|1,0,1]=4 12341 B12R1.267 Fc1ccccc1\C=C\CCCl Amb17234150 [0,2,0,0,0,0|1,0,1]=4 12342 B12R1.267 Fc1cnccc1NCCCCl Amb35655338 [0,2,0,0,0,0|2,0,0]=4 12343 B12R1.267 N#CCCCN1C=CC=CC1=O Amb18041800 [0,2,0,0,0,0|2,0,0]=4 12344 B12R1.267 N#CCCCc1ccccc1Br Amb25732390 [0,2,0,0,0,0|1,0,0]=3 12345 B12R1.267 N#CCCCc1ccccc1Cl Amb28057145 [0,2,0,0,0,0|1,0,0]=3 12346 B12R1.267 N#CCCCc1ccccc1F Amb27394350 [0,2,0,0,0,0|1,0,0]=3 12347 B12R1.267 N#CCCCc1ncccc1N Amb18645520 [0,2,0,0,0,0|2,0,0]=4 12348 B12R1.267 N#CCCNc1ccccc1Br Amb7094593 [0,2,0,0,0,0|1,0,1]=4 12349 B12R1.267 N#CCCNc1ccccc1Cl Amb2794094 [0,2,0,0,0,0|1,0,1]=4 12350 B12R1.267 N#CCCNc1ccccc1F Amb1103848 [0,2,0,0,0,0|1,0,1]=4 12351 B12R1.267 N#CCCNc1ccccc1I Amb9202488 [0,2,0,0,0,0|1,0,1]=4 12352 B12R1.267 N#CCCNc1ccccc1O Amb4401572 [0,2,0,0,0,0|1,0,1]=4 12353 B12R1.267 N#CCCOc1ccccc1Br Amb6263050 [0,2,0,0,0,0|1,0,1]=4 12354 B12R1.267 N#CCCOc1ccccc1Cl Amb356216 [0,2,0,0,0,0|1,0,1]=4 12355 B12R1.267 N#CCCOc1ccccc1F Amb1148995 [0,2,0,0,0,0|1,0,1]=4 12356 B12R1.267 N#CCCOc1ccccc1N Amb18971549 [0,2,0,0,0,0|1,0,1]=4 12357 B12R1.267 N#CCCSc1ccccc1F Amb2779413 [0,2,0,0,0,0|1,0,1]=4 12358 B12R1.267 N#CCCSc1ccccc1N Amb4477155 [0,2,0,0,0,0|1,0,1]=4 12359 B12R1.267 N#CCNCc1ccccc1Cl Amb6709999 [0,2,0,0,0,0|1,0,1]=4 12360 B12R1.267 N#CCNCc1ccccc1F Amb6712731 [0,2,0,0,0,0|1,0,1]=4 12361 B12R1.267 N#CCOCc1ccccc1F Amb27165383 [0,2,0,0,0,0|1,0,1]=4 12362 B12R1.267 NCCC#Cc1ccccc1F Amb28318487 [0,2,0,0,0,0|1,0,1]=4 12363 B12R1.267 NCCCCN1C=CC=CC1=O Amb18535494 [0,2,0,0,0,0|2,0,0]=4 12364 B12R1.267 NCCCCc1ccccc1Br Amb18069064 [0,2,0,0,0,0|1,0,0]=3 12365 B12R1.267 NCCCCc1ccccc1Cl Amb22904185 [0,2,0,0,0,0|1,0,0]=3 12366 B12R1.267 NCCCCc1ccccc1Cl Amb5735501 [0,2,0,0,0,0|1,0,0]=3 12367 B12R1.267 NCCCCc1ccccc1F Amb18524598 [0,2,0,0,0,0|1,0,0]=3 12368 B12R1.267 NCCCCc1ccccc1F Amb5735495 [0,2,0,0,0,0|1,0,0]=3 12369 B12R1.267 NCCCCc1ccccc1O Amb18828230 [0,2,0,0,0,0|1,0,0]=3 12370 B12R1.267 NCCCCc1cccnc1Br Amb33388117 [0,2,0,0,0,0|2,0,0]=4 12371 B12R1.267 NCCCCc1cccnc1Cl Amb33257389 [0,2,0,0,0,0|2,0,0]=4 12372 B12R1.267 NCCCCc1cccnc1F Amb33377145 [0,2,0,0,0,0|2,0,0]=4 12373 B12R1.267 NCCCCc1ccncc1Br Amb33478368 [0,2,0,0,0,0|2,0,0]=4 12374 B12R1.267 NCCCCc1ccncc1Cl Amb33220578 [0,2,0,0,0,0|2,0,0]=4 12375 B12R1.267 NCCCCc1ccncc1F Amb33316819 [0,2,0,0,0,0|2,0,0]=4 12376 B12R1.267 NCCCCc1ncccc1Br Amb33451068 [0,2,0,0,0,0|2,0,0]=4 12377 B12R1.267 NCCCCc1ncccc1F Amb33418424 [0,2,0,0,0,0|2,0,0]=4 12378 B12R1.267 NCCCNc1ccccc1Br Amb27226464 [0,2,0,0,0,0|1,0,0]=3 12379 B12R1.267 NCCCNc1ccccc1Cl Amb17057727 [0,2,0,0,0,0|1,0,0]=3 12380 B12R1.267 NCCCNc1ccccc1F Amb17057724 [0,2,0,0,0,0|1,0,0]=3 12381 B12R1.267 NCCCNc1ccccc1F Amb32718812 [0,2,0,0,0,0|1,0,0]=3 12382 B12R1.267 NCCCNc1cccnc1F Amb35725092 [0,2,0,0,0,0|2,0,0]=4 12383 B12R1.267 NCCCNc1ccncc1Br Amb27460980 [0,2,0,0,0,0|2,0,0]=4 12384 B12R1.267 NCCCNc1ccncc1F Amb27871417 [0,2,0,0,0,0|2,0,0]=4 12385 B12R1.267 NCCCNc1ncccc1N Amb20673110 [0,2,0,0,0,0|2,0,0]=4 12386 B12R1.267 NCCCOc1ccccc1Br Amb6267751 [0,2,0,0,0,0|1,0,0]=3 12387 B12R1.267 NCCCOc1ccccc1Cl Amb5731731 [0,2,0,0,0,0|1,0,0]=3 12388 B12R1.267 NCCCOc1ccccc1F Amb1107911 [0,2,0,0,0,0|1,0,0]=3 12389 B12R1.267 NCCCOc1ccccc1F Amb1221365 [0,2,0,0,0,0|1,0,0]=3 12390 B12R1.267 NCCCOc1ccccc1O Amb33226613 [0,2,0,0,0,0|1,0,0]=3 12391 B12R1.267 NCCCOc1cccnc1Br Amb33451406 [0,2,0,0,0,0|2,0,0]=4 12392 B12R1.267 NCCCOc1cccnc1Cl Amb33257706 [0,2,0,0,0,0|2,0,0]=4 12393 B12R1.267 NCCCOc1cccnc1F Amb33080042 [0,2,0,0,0,0|2,0,0]=4 12394 B12R1.267 NCCCOc1ccncc1Br Amb33452049 [0,2,0,0,0,0|2,0,0]=4 12395 B12R1.267 NCCCOc1ccncc1Cl Amb33261419 [0,2,0,0,0,0|2,0,0]=4 12396 B12R1.267 NCCCOc1ccncc1F Amb33317416 [0,2,0,0,0,0|2,0,0]=4 12397 B12R1.267 NCCCOc1ncccc1Br Amb18308525 [0,2,0,0,0,0|2,0,0]=4 12398 B12R1.267 NCCCOc1ncccc1F Amb19029670 [0,2,0,0,0,0|2,0,0]=4 12399 B12R1.267 NCCNCc1ccccc1Br Amb18306264 [0,2,0,0,0,0|1,0,0]=3 12400 B12R1.267 NCCNCc1ccccc1Cl Amb10075510 [0,2,0,0,0,0|1,0,0]=3 12401 B12R1.267 NCCNCc1ccccc1Cl Amb29844472 [0,2,0,0,0,0|1,0,0]=3 12402 B12R1.267 NCCNCc1ccccc1F Amb10075506 [0,2,0,0,0,0|1,0,0]=3 12403 B12R1.267 NCCNCc1ccccc1F Amb29844475 [0,2,0,0,0,0|1,0,0]=3 12404 B12R1.267 NCCNCc1ccccc1O Amb19005483 [0,2,0,0,0,0|1,0,0]=3 12405 B12R1.267 NCCOCc1ccccc1Cl Amb6335301 [0,2,0,0,0,0|1,0,0]=3 12406 B12R1.267 NCCOCc1ccccc1Cl Amb6880857 [0,2,0,0,0,0|1,0,0]=3 12407 B12R1.267 NCCOCc1ccccc1F Amb17061817 [0,2,0,0,0,0|1,0,0]=3 12408 B12R1.267 NCCSCc1ccccc1Cl Amb844775 [0,2,0,0,0,0|1,0,0]=3 12409 B12R1.267 NCCSCc1ccccc1F Amb431326 [0,2,0,0,0,0|1,0,0]=3 12410 B12R1.267 NCCSCc1ccccc1F Amb9677309 [0,2,0,0,0,0|1,0,0]=3 12411 B12R1.267 NCC\C=C\c1ccccc1Cl Amb17233874 [0,2,0,0,0,0|1,0,1]=4 12412 B12R1.267 NCC\C=C\c1ccccc1F Amb17232531 [0,2,0,0,0,0|1,0,1]=4 12413 B12R1.267 NCC\C=C\c1ccccc1O Amb27965289 [0,2,0,0,0,0|1,0,1]=4 12414 B12R1.267 NCC\N=C\c1ccccc1Cl Amb28119784 [0,2,0,0,0,0|1,0,1]=4 12415 B12R1.267 NNCCOc1ccccc1Br Amb17407554 [0,2,0,0,0,0|2,0,0]=4 12416 B12R1.267 NNCCOc1ccccc1Cl Amb1114795 [0,2,0,0,0,0|2,0,0]=4 12417 B12R1.267 NNCCOc1ccccc1F Amb17400321 [0,2,0,0,0,0|2,0,0]=4 12418 B12R1.267 NOCC#Cc1ccccc1F Amb25773644 [0,2,0,0,0,0|0,0,2]=4 12419 B12R1.267 NOCCCc1ccccc1Cl Amb17089558 [0,2,0,0,0,0|0,0,0]=2 12420 B12R1.267 NOCCCc1ccccc1F Amb17089552 [0,2,0,0,0,0|0,0,0]=2 12421 B12R1.267 NOCCOc1ccccc1Br Amb17088297 [0,2,0,0,0,0|1,0,0]=3 12422 B12R1.267 NOCCOc1ccccc1Cl Amb17088294 [0,2,0,0,0,0|1,0,0]=3 12423 B12R1.267 NOCCOc1ccccc1F Amb17088291 [0,2,0,0,0,0|1,0,0]=3 12424 B12R1.267 Nc1ccccc1C#CCCO Amb27193050 [0,2,0,0,0,0|0,0,1]=3 12425 B12R1.267 Nc1ccccc1C\C=C\CO Amb28290910 [0,2,0,0,0,0|0,0,1]=3 12426 B12R1.267 Nc1ccccc1NCCCF Amb27656342 [0,2,0,0,0,0|1,0,0]=3 12427 B12R1.267 Nc1ccccc1NCCCO Amb8997320 [0,2,0,0,0,0|0,0,0]=2 12428 B12R1.267 Nc1ccccc1N\C=C\CO Amb27866483 [0,2,0,0,0,0|0,0,2]=4 12429 B12R1.267 Nc1ccccc1OCCCF Amb23539407 [0,2,0,0,0,0|1,0,0]=3 12430 B12R1.267 Nc1ccccc1OCCCO Amb8842578 [0,2,0,0,0,0|0,0,0]=2 12431 B12R1.267 Nc1ccccc1\N=C\CCO Amb25892253 [0,2,0,0,0,0|0,0,1]=3 12432 B12R1.267 Nc1cccnc1NCCCO Amb8997316 [0,2,0,0,0,0|1,0,0]=3 12433 B12R1.267 Nc1cccnc1OCCCO Amb8842581 [0,2,0,0,0,0|1,0,0]=3 12434 B12R1.267 Nc1ccncc1OCCCO Amb33035572 [0,2,0,0,0,0|1,0,0]=3 12435 B12R1.267 Nc1cnccc1NCCCO Amb8858224 [0,2,0,0,0,0|1,0,0]=3 12436 B12R1.267 Nc1cnccc1OCCCO Amb8842572 [0,2,0,0,0,0|1,0,0]=3 12437 B12R1.267 Nc1cnccc1SCCCO Amb8930653 [0,2,0,0,0,0|1,0,0]=3 12438 B12R1.267 Nc1cncnc1NCCCO Amb27975740 [0,2,0,0,0,0|2,0,0]=4 12439 B12R1.267 Nc1cncnc1OCCCO Amb33035630 [0,2,0,0,0,0|2,0,0]=4 12440 B12R1.267 Nc1ncccc1NCCCF Amb27398845 [0,2,0,0,0,0|2,0,0]=4 12441 B12R1.267 Nc1ncccc1NCCCO Amb28070508 [0,2,0,0,0,0|1,0,0]=3 12442 B12R1.267 Nc1ncccc1OCCCO Amb17206812 [0,2,0,0,0,0|1,0,0]=3 12443 B12R1.267 O=C=NCCc1ccccc1Br Amb26038761 [0,2,0,0,0,0|0,0,2]=4 12444 B12R1.267 O=C=NCCc1ccccc1Cl Amb17233866 [0,2,0,0,0,0|0,0,2]=4 12445 B12R1.267 O=C=NCCc1ccccc1F Amb5750720 [0,2,0,0,0,0|0,0,2]=4 12446 B12R1.267 O=CCCCc1ccccc1Br Amb33451106 [0,2,0,0,0,0|0,0,1]=3 12447 B12R1.267 O=CCCCc1ccccc1Cl Amb32750392 [0,2,0,0,0,0|0,0,1]=3 12448 B12R1.267 O=CCCCc1ccccc1F Amb33474216 [0,2,0,0,0,0|0,0,1]=3 12449 B12R1.267 O=CCCCc1ccccc1O Amb18646065 [0,2,0,0,0,0|0,0,1]=3 12450 B12R1.267 O=CCCCc1cccnc1Br Amb33388136 [0,2,0,0,0,0|1,0,1]=4 12451 B12R1.267 O=CCCCc1cccnc1Cl Amb33257657 [0,2,0,0,0,0|1,0,1]=4 12452 B12R1.267 O=CCCCc1cccnc1F Amb33376817 [0,2,0,0,0,0|1,0,1]=4 12453 B12R1.267 O=CCCCc1ccncc1Br Amb33388993 [0,2,0,0,0,0|1,0,1]=4 12454 B12R1.267 O=CCCCc1ccncc1Cl Amb33052108 [0,2,0,0,0,0|1,0,1]=4 12455 B12R1.267 O=CCCCc1ccncc1F Amb33316813 [0,2,0,0,0,0|1,0,1]=4 12456 B12R1.267 O=CCCCc1ncccc1Br Amb33450764 [0,2,0,0,0,0|1,0,1]=4 12457 B12R1.267 O=CCCCc1ncccc1F Amb33418420 [0,2,0,0,0,0|1,0,1]=4 12458 B12R1.267 O=CCCOc1ccccc1Br Amb17099971 [0,2,0,0,0,0|0,0,2]=4 12459 B12R1.267 O=CCCOc1ccccc1Cl Amb5731775 [0,2,0,0,0,0|0,0,2]=4 12460 B12R1.267 O=CCCSc1ccccc1Br Amb32682705 [0,2,0,0,0,0|0,0,2]=4 12461 B12R1.267 O=CCCSc1ccccc1Cl Amb18317016 [0,2,0,0,0,0|0,0,2]=4 12462 B12R1.267 O=CCCSc1ccccc1F Amb19045412 [0,2,0,0,0,0|0,0,2]=4 12463 B12R1.267 O=CCSCc1ccccc1Cl Amb32683106 [0,2,0,0,0,0|0,0,2]=4 12464 B12R1.267 O=CNCCc1ccccc1Br Amb28410820 [0,2,0,0,0,0|0,0,2]=4 12465 B12R1.267 OCCC#Cc1ccccc1Cl Amb18796383 [0,2,0,0,0,0|0,0,1]=3 12466 B12R1.267 OCCCCc1ccccc1Br Amb34003425 [0,2,0,0,0,0|0,0,0]=2 12467 B12R1.267 OCCCCc1ccccc1Cl Amb4037443 [0,2,0,0,0,0|0,0,0]=2 12468 B12R1.267 OCCCCc1ccccc1F Amb34913201 [0,2,0,0,0,0|0,0,0]=2 12469 B12R1.267 OCCCNc1cccc[n+]1O Amb17308217 [0,2,0,0,0,0|1,0,0]=3 12470 B12R1.267 OCCCNc1ccccc1Br Amb17306220 [0,2,0,0,0,0|0,0,0]=2 12471 B12R1.267 OCCCNc1ccccc1Cl Amb17306039 [0,2,0,0,0,0|0,0,0]=2 12472 B12R1.267 OCCCNc1ccccc1F Amb17306155 [0,2,0,0,0,0|0,0,0]=2 12473 B12R1.267 OCCCNc1ccccc1I Amb27395286 [0,2,0,0,0,0|0,0,0]=2 12474 B12R1.267 OCCCNc1ccncc1Cl Amb27586446 [0,2,0,0,0,0|1,0,0]=3 12475 B12R1.267 OCCCNc1ccncc1F Amb30020353 [0,2,0,0,0,0|1,0,0]=3 12476 B12R1.267 OCCCNc1ncccc1Br Amb19015766 [0,2,0,0,0,0|1,0,0]=3 12477 B12R1.267 OCCCNc1ncccc1Cl Amb6634671 [0,2,0,0,0,0|1,0,0]=3 12478 B12R1.267 OCCCNc1ncccc1I Amb27437129 [0,2,0,0,0,0|1,0,0]=3 12479 B12R1.267 OCCCNc1nccnc1F Amb29866296 [0,2,0,0,0,0|2,0,0]=4 12480 B12R1.267 OCCCNc1ncncc1Br Amb25805094 [0,2,0,0,0,0|2,0,0]=4 12481 B12R1.267 OCCCOc1ccccc1Br Amb9247656 [0,2,0,0,0,0|0,0,0]=2 12482 B12R1.267 OCCCOc1ccccc1Cl Amb9247633 [0,2,0,0,0,0|0,0,0]=2 12483 B12R1.267 OCCCOc1ccccc1F Amb9370652 [0,2,0,0,0,0|0,0,0]=2 12484 B12R1.267 OCCNCc1ccccc1Br Amb9203175 [0,2,0,0,0,0|0,0,0]=2 12485 B12R1.267 OCCNCc1ccccc1Cl Amb13949019 [0,2,0,0,0,0|0,0,0]=2 12486 B12R1.267 OCCNCc1ccccc1Cl Amb2721952 [0,2,0,0,0,0|0,0,0]=2 12487 B12R1.267 OCCNCc1ccccc1F Amb2592100 [0,2,0,0,0,0|0,0,0]=2 12488 B12R1.267 OCCNCc1ccccc1F Amb6865191 [0,2,0,0,0,0|0,0,0]=2 12489 B12R1.267 OCCNCc1ccccc1I Amb21861540 [0,2,0,0,0,0|0,0,0]=2 12490 B12R1.267 OCCNCc1cccnc1Cl Amb24048984 [0,2,0,0,0,0|1,0,0]=3 12491 B12R1.267 OCCNCc1cccnc1Cl Amb28538933 [0,2,0,0,0,0|1,0,0]=3 12492 B12R1.267 OCCNCc1nccnc1Cl Amb21861905 [0,2,0,0,0,0|2,0,0]=4 12493 B12R1.267 OCCSCc1ccccc1F Amb3568982 [0,2,0,0,0,0|0,0,0]=2 12494 B12R1.267 OCC\N=C/c1ccccc1O Amb28122440 [0,2,0,0,0,0|0,0,1]=3 12495 B12R1.267 OCC\N=C\c1cccnc1Cl Amb30623475 [0,2,0,0,0,0|1,0,1]=4 12496 B12R1.267 ONCCOc1ccccc1Br Amb17088423 [0,2,0,0,0,0|1,0,0]=3 12497 B12R1.267 ONCCOc1ccccc1Cl Amb17088420 [0,2,0,0,0,0|1,0,0]=3 12498 B12R1.267 ONCCOc1ccccc1F Amb17088417 [0,2,0,0,0,0|1,0,0]=3 12499 B12R1.267 Oc1ccccc1\C=N\CCS Amb26317394 [0,2,0,0,0,0|0,1,1]=4 12500 B12R1.267 S=C=NCCc1ccccc1Cl Amb17236675 [0,2,0,0,0,0|0,1,1]=4 12501 B12R1.267 SCCCCc1ccccc1Br Amb18576923 [0,2,0,0,0,0|0,1,0]=3 12502 B12R1.267 SCCCCc1ccccc1Cl Amb18066299 [0,2,0,0,0,0|0,1,0]=3 12503 B12R1.267 SCCCNc1ccccc1S Amb27667794 [0,2,0,0,0,0|0,1,0]=3 12504 B12R1.267 SCCCOc1ccccc1Br Amb17258957 [0,2,0,0,0,0|0,1,0]=3 12505 B12R1.267 SCCCOc1ccccc1Cl Amb17237588 [0,2,0,0,0,0|0,1,0]=3 12506 B12R1.267 [C-]#[N+]CCOc1ccccc1C Amb28435228 [0,2,0,0,0,0|2,0,0]=4 12507 B12R1.267 [C-]#[N+]CCOc1ccccc1Cl Amb27958954 [0,2,0,0,0,0|2,0,0]=4 12508 B12R1.267 [C-]#[N+]CCOc1ccccc1O Amb27429201 [0,2,0,0,0,0|2,0,0]=4 12509 B12R1.267 [C-]#[N+]CCSc1ccccc1F Amb27660770 [0,2,0,0,0,0|2,0,0]=4 12510 B12R1.267 [N-]=[N+]=NCCc1ccccc1Br Amb33387997 [0,2,0,0,0,0|2,0,0]=4 12511 B12R1.267 [N-]=[N+]=NCCc1ccccc1Cl Amb26421356 [0,2,0,0,0,0|2,0,0]=4 12512 B12R1.267 [N-]=[N+]=NCCc1ccccc1F Amb33360865 [0,2,0,0,0,0|2,0,0]=4 12513 B12R1.267 [N-]=[N+]=NCCc1ccccc1O Amb33195772 [0,2,0,0,0,0|2,0,0]=4 12514 B12R1.371 C#CC(N)Cc1ccccc1Cl Amb28245089 [0,2,0,0,0,0|1,0,1]=4 12515 B12R1.371 C#CC(O)Cc1ccccc1Br Amb35691448 [0,2,0,0,0,0|1,0,1]=4 12516 B12R1.371 C=C(CC)Cc1ccccc1N Amb28398180 [0,2,0,0,0,0|1,0,1]=4 12517 B12R1.371 C=CC(N)Cc1ccccc1Br Amb27389711 [0,2,0,0,0,0|1,0,1]=4 12518 B12R1.371 C=CC(N)Cc1ccccc1C Amb27162019 [0,2,0,0,0,0|1,0,1]=4 12519 B12R1.371 C=CC(N)Cc1ccccc1Cl Amb28367910 [0,2,0,0,0,0|1,0,1]=4 12520 B12R1.371 C=CC(O)Cc1ccccc1C Amb28401244 [0,2,0,0,0,0|1,0,1]=4 12521 B12R1.371 C=CC(O)Cc1ccccc1Cl Amb27211337 [0,2,0,0,0,0|1,0,1]=4 12522 B12R1.371 C=CC(O)Cc1ccccc1F Amb27431183 [0,2,0,0,0,0|1,0,1]=4 12523 B12R1.371 CC(C#N)Cc1ccccc1Br Amb26955520 [0,2,0,0,0,0|1,0,1]=4 12524 B12R1.371 CC(C#N)Cc1ccccc1Cl Amb25717018 [0,2,0,0,0,0|1,0,1]=4 12525 B12R1.371 CC(C#N)Cc1ccccc1F Amb28255995 [0,2,0,0,0,0|1,0,1]=4 12526 B12R1.371 CC(C=O)Cc1ccccc1Br Amb25324057 [0,2,0,0,0,0|0,0,2]=4 12527 B12R1.371 CC(C=O)Cc1ccccc1Cl Amb26398801 [0,2,0,0,0,0|0,0,2]=4 12528 B12R1.371 CC(C=O)Cc1ccccc1F Amb24429443 [0,2,0,0,0,0|0,0,2]=4 12529 B12R1.371 CC(C=O)Cc1ccccc1I Amb24437612 [0,2,0,0,0,0|0,0,2]=4 12530 B12R1.371 CC(C=O)Cc1ccccc1N Amb27166705 [0,2,0,0,0,0|0,0,2]=4 12531 B12R1.371 CC(C=O)Cc1ccccc1O Amb25313067 [0,2,0,0,0,0|0,0,2]=4 12532 B12R1.371 CC(CBr)Cc1ccccc1Br Amb25040689 [0,2,0,0,0,0|1,0,0]=3 12533 B12R1.371 CC(CBr)Cc1ccccc1Cl Amb28043482 [0,2,0,0,0,0|1,0,0]=3 12534 B12R1.371 CC(CBr)Cc1ccccc1F Amb25741700 [0,2,0,0,0,0|1,0,0]=3 12535 B12R1.371 CC(CBr)Cc1ccncc1Br Amb32689601 [0,2,0,0,0,0|2,0,0]=4 12536 B12R1.371 CC(CBr)Cc1ccncc1Cl Amb24443693 [0,2,0,0,0,0|2,0,0]=4 12537 B12R1.371 CC(CBr)Cc1ncccc1Br Amb25111379 [0,2,0,0,0,0|2,0,0]=4 12538 B12R1.371 CC(CBr)Cc1ncccc1Cl Amb32690850 [0,2,0,0,0,0|2,0,0]=4 12539 B12R1.371 CC(CBr)Oc1ccccc1Cl Amb17261129 [0,2,0,0,0,0|2,0,0]=4 12540 B12R1.371 CC(CBr)Oc1ccccc1F Amb17250549 [0,2,0,0,0,0|2,0,0]=4 12541 B12R1.371 CC(CCl)CN1C=CC=CC1=O Amb27227483 [0,2,0,0,0,0|2,0,0]=4 12542 B12R1.371 CC(CCl)Cc1ccccc1Br Amb26645125 [0,2,0,0,0,0|1,0,0]=3 12543 B12R1.371 CC(CCl)Cc1ccccc1Cl Amb25997478 [0,2,0,0,0,0|1,0,0]=3 12544 B12R1.371 CC(CCl)Cc1ccccc1F Amb25349982 [0,2,0,0,0,0|1,0,0]=3 12545 B12R1.371 CC(CCl)Cc1cccnc1N Amb27666802 [0,2,0,0,0,0|2,0,0]=4 12546 B12R1.371 CC(CCl)Cc1ccncc1Br Amb32689600 [0,2,0,0,0,0|2,0,0]=4 12547 B12R1.371 CC(CCl)Cc1ccncc1Cl Amb26462003 [0,2,0,0,0,0|2,0,0]=4 12548 B12R1.371 CC(CCl)Cc1ncccc1Br Amb26503346 [0,2,0,0,0,0|2,0,0]=4 12549 B12R1.371 CC(CCl)Cc1ncccc1Cl Amb32690849 [0,2,0,0,0,0|2,0,0]=4 12550 B12R1.371 CC(CCl)Oc1ccccc1Br Amb17261132 [0,2,0,0,0,0|2,0,0]=4 12551 B12R1.371 CC(CCl)Oc1ccccc1Cl Amb17238289 [0,2,0,0,0,0|2,0,0]=4 12552 B12R1.371 CC(CCl)Oc1ccccc1F Amb17234613 [0,2,0,0,0,0|2,0,0]=4 12553 B12R1.371 CC(CN)Cc1ccccc1Br Amb18992226 [0,2,0,0,0,0|1,0,0]=3 12554 B12R1.371 CC(CN)Cc1ccccc1Cl Amb5743846 [0,2,0,0,0,0|1,0,0]=3 12555 B12R1.371 CC(CN)Cc1ccccc1F Amb5743840 [0,2,0,0,0,0|1,0,0]=3 12556 B12R1.371 CC(CN)Cc1cccnc1N Amb27805307 [0,2,0,0,0,0|2,0,0]=4 12557 B12R1.371 CC(CN)Cc1ncccc1Br Amb28346175 [0,2,0,0,0,0|2,0,0]=4 12558 B12R1.371 CC(CN)Nc1ccccc1Br Amb28118354 [0,2,0,0,0,0|2,0,0]=4 12559 B12R1.371 CC(CN)Oc1ccccc1Br Amb33530517 [0,2,0,0,0,0|2,0,0]=4 12560 B12R1.371 CC(CN)Oc1ccccc1Cl Amb19148877 [0,2,0,0,0,0|2,0,0]=4 12561 B12R1.371 CC(CN)Oc1ccccc1Cl Amb2607674 [0,2,0,0,0,0|2,0,0]=4 12562 B12R1.371 CC(CN)Oc1ccccc1F Amb18299438 [0,2,0,0,0,0|2,0,0]=4 12563 B12R1.371 CC(CN)Sc1ccccc1F Amb18992820 [0,2,0,0,0,0|2,0,0]=4 12564 B12R1.371 CC(CN)Sc1ccccc1N Amb18909296 [0,2,0,0,0,0|2,0,0]=4 12565 B12R1.371 CC(CO)CN1C=CC=CC1=O Amb27178441 [0,2,0,0,0,0|1,0,0]=3 12566 B12R1.371 CC(CO)CN1C=CC=NC1=O Amb28045289 [0,2,0,0,0,0|2,0,0]=4 12567 B12R1.371 CC(CO)CN1C=CN=CC1=O Amb27874887 [0,2,0,0,0,0|2,0,0]=4 12568 B12R1.371 CC(CO)CN1C=NC=CC1=O Amb27659864 [0,2,0,0,0,0|2,0,0]=4 12569 B12R1.371 CC(CO)Cc1ccccc1F Amb26508993 [0,2,0,0,0,0|0,0,0]=2 12570 B12R1.371 CC(CO)Cc1ccccc1O Amb28061434 [0,2,0,0,0,0|0,0,0]=2 12571 B12R1.371 CC(CO)Cc1ccncc1Cl Amb27485264 [0,2,0,0,0,0|1,0,0]=3 12572 B12R1.371 CC(CO)Cc1cnccc1N Amb27412840 [0,2,0,0,0,0|1,0,0]=3 12573 B12R1.371 CC(CO)Nc1ccccc1Cl Amb18971813 [0,2,0,0,0,0|1,0,0]=3 12574 B12R1.371 CC(CO)Nc1ccccc1I Amb28369198 [0,2,0,0,0,0|1,0,0]=3 12575 B12R1.371 CC(CO)Nc1ccncc1Cl Amb27967181 [0,2,0,0,0,0|2,0,0]=4 12576 B12R1.371 CC(CO)Nc1ncccc1I Amb25681220 [0,2,0,0,0,0|2,0,0]=4 12577 B12R1.371 CC(CO)Oc1ccccc1Br Amb17249276 [0,2,0,0,0,0|1,0,0]=3 12578 B12R1.371 CC(CO)Oc1ccccc1Cl Amb17234356 [0,2,0,0,0,0|1,0,0]=3 12579 B12R1.371 CC(CO)Oc1ccccc1F Amb17232739 [0,2,0,0,0,0|1,0,0]=3 12580 B12R1.371 CC(CO)Oc1ccccc1I Amb25828459 [0,2,0,0,0,0|1,0,0]=3 12581 B12R1.371 CC(CO)Sc1ccccc1Br Amb27755752 [0,2,0,0,0,0|1,0,0]=3 12582 B12R1.371 CC(CO)Sc1ccccc1O Amb27869464 [0,2,0,0,0,0|1,0,0]=3 12583 B12R1.371 CC(CO)Sc1ccncc1F Amb35737122 [0,2,0,0,0,0|2,0,0]=4 12584 B12R1.371 CC(CO)Sc1ncccc1Cl Amb27664031 [0,2,0,0,0,0|2,0,0]=4 12585 B12R1.371 CC(CO)Sc1ncccc1F Amb28347864 [0,2,0,0,0,0|2,0,0]=4 12586 B12R1.371 CC(Cc1ccccc1Br)NN Amb27623259 [0,2,0,0,0,0|2,0,0]=4 12587 B12R1.371 CC(Cc1ccccc1F)NN Amb28421760 [0,2,0,0,0,0|2,0,0]=4 12588 B12R1.371 CC(Cc1ccccc1O)NO Amb28074598 [0,2,0,0,0,0|1,0,0]=3 12589 B12R1.371 CCC(=O)Cc1ccccc1Br Amb33534982 [0,2,0,0,0,0|1,0,1]=4 12590 B12R1.371 CCC(=O)Cc1ccccc1C Amb17138542 [0,2,0,0,0,0|1,0,1]=4 12591 B12R1.371 CCC(=O)Cc1ccccc1Cl Amb17139041 [0,2,0,0,0,0|1,0,1]=4 12592 B12R1.371 CCC(=O)Cc1ccccc1F Amb17138603 [0,2,0,0,0,0|1,0,1]=4 12593 B12R1.371 CCC(Br)Cc1ccncc1Cl Amb28421961 [0,2,0,0,0,0|2,0,0]=4 12594 B12R1.371 CCC(C)Cc1ccccc1O Amb27177732 [0,2,0,0,0,0|1,0,0]=3 12595 B12R1.371 CCC(C)Cc1cnccc1N Amb27954500 [0,2,0,0,0,0|2,0,0]=4 12596 B12R1.371 CCC(C)Nc1ccccc1Br Amb6696460 [0,2,0,0,0,0|2,0,0]=4 12597 B12R1.371 CCC(C)Nc1ccccc1C Amb6701228 [0,2,0,0,0,0|2,0,0]=4 12598 B12R1.371 CCC(C)Nc1ccccc1Cl Amb6696915 [0,2,0,0,0,0|2,0,0]=4 12599 B12R1.371 CCC(C)Nc1ccccc1F Amb6697377 [0,2,0,0,0,0|2,0,0]=4 12600 B12R1.371 CCC(C)Nc1ccccc1I Amb7785642 [0,2,0,0,0,0|2,0,0]=4 12601 B12R1.371 CCC(C)Nc1ccccc1O Amb27760304 [0,2,0,0,0,0|2,0,0]=4 12602 B12R1.371 CCC(C)Oc1ccccc1C Amb28364230 [0,2,0,0,0,0|2,0,0]=4 12603 B12R1.371 CCC(C)Oc1ccccc1Cl Amb27175754 [0,2,0,0,0,0|2,0,0]=4 12604 B12R1.371 CCC(C)Oc1ccccc1N Amb9702145 [0,2,0,0,0,0|2,0,0]=4 12605 B12R1.371 CCC(C)Sc1ccccc1Br Amb27835038 [0,2,0,0,0,0|2,0,0]=4 12606 B12R1.371 CCC(Cl)Cc1ccccc1C Amb17477425 [0,2,0,0,0,0|1,0,0]=3 12607 B12R1.371 CCC(Cl)Cc1ccccc1F Amb19046368 [0,2,0,0,0,0|1,0,0]=3 12608 B12R1.371 CCC(Cl)Cc1cccnc1N Amb27485211 [0,2,0,0,0,0|2,0,0]=4 12609 B12R1.371 CCC(Cl)Cc1ncccc1Br Amb28410611 [0,2,0,0,0,0|2,0,0]=4 12610 B12R1.371 CCC(N)CN1C=CC=CC1=O Amb18040292 [0,2,0,0,0,0|2,0,0]=4 12611 B12R1.371 CCC(N)Cc1ccccc1Br Amb20627508 [0,2,0,0,0,0|1,0,0]=3 12612 B12R1.371 CCC(N)Cc1ccccc1Br Amb9428862 [0,2,0,0,0,0|1,0,0]=3 12613 B12R1.371 CCC(N)Cc1ccccc1C Amb9428910 [0,2,0,0,0,0|1,0,0]=3 12614 B12R1.371 CCC(N)Cc1ccccc1Cl Amb9428938 [0,2,0,0,0,0|1,0,0]=3 12615 B12R1.371 CCC(N)Cc1ccccc1F Amb9428867 [0,2,0,0,0,0|1,0,0]=3 12616 B12R1.371 CCC(N)Cc1cccnc1C Amb35654000 [0,2,0,0,0,0|2,0,0]=4 12617 B12R1.371 CCC(N)Cc1cccnc1Cl Amb25791112 [0,2,0,0,0,0|2,0,0]=4 12618 B12R1.371 CCC(N)Cc1ccncc1F Amb28077214 [0,2,0,0,0,0|2,0,0]=4 12619 B12R1.371 CCC(N)Cc1ccncc1N Amb27873952 [0,2,0,0,0,0|2,0,0]=4 12620 B12R1.371 CCC(O)Cc1ccccc1Br Amb24465632 [0,2,0,0,0,0|1,0,0]=3 12621 B12R1.371 CCC(O)Cc1ccccc1C Amb17138581 [0,2,0,0,0,0|1,0,0]=3 12622 B12R1.371 CCC(O)Cc1ccccc1Cl Amb17139101 [0,2,0,0,0,0|1,0,0]=3 12623 B12R1.371 CCC(O)Cc1ccccc1F Amb17138635 [0,2,0,0,0,0|1,0,0]=3 12624 B12R1.371 CCC(O)Cc1ccccc1N Amb25335274 [0,2,0,0,0,0|1,0,0]=3 12625 B12R1.371 CCC(O)Sc1ccccc1C Amb22228394 [0,2,0,0,0,0|2,0,0]=4 12626 B12R1.371 CCN(C)Cc1ccccc1Cl Amb28126470 [0,2,0,0,0,0|2,0,0]=4 12627 B12R1.371 CCN(N)Cc1ccccc1Br Amb25738572 [0,2,0,0,0,0|2,0,0]=4 12628 B12R1.371 CC[C@@H](C)Cc1ccccc1O Amb28243798 [0,2,0,0,0,0|1,0,0]=3 12629 B12R1.371 CC[C@@H](N)Cc1ccccc1Br Amb27459365 [0,2,0,0,0,0|1,0,0]=3 12630 B12R1.371 CC[C@@H](N)Cc1ccccc1Cl Amb27668323 [0,2,0,0,0,0|1,0,0]=3 12631 B12R1.371 CNC(C)Cc1ccccc1C Amb24271197 [0,2,0,0,0,0|2,0,0]=4 12632 B12R1.371 CNC(C)Cc1ccccc1C Amb5735451 [0,2,0,0,0,0|2,0,0]=4 12633 B12R1.371 CNC(C)Cc1ccccc1I Amb27178924 [0,2,0,0,0,0|2,0,0]=4 12634 B12R1.371 CNC(C)Cc1ccccc1O Amb28456494 [0,2,0,0,0,0|2,0,0]=4 12635 B12R1.371 C[C@@H](CN)Cc1ccccc1F Amb33731703 [0,2,0,0,0,0|1,0,0]=3 12636 B12R1.371 C[C@@H](CO)Cc1ccccc1Cl Amb28207131 [0,2,0,0,0,0|0,0,0]=2 12637 B12R1.371 C[C@@H](CO)Cc1ccccc1F Amb26956773 [0,2,0,0,0,0|0,0,0]=2 12638 B12R1.371 C[C@@H](CO)Nc1ncccc1Br Amb27589585 [0,2,0,0,0,0|2,0,0]=4 12639 B12R1.371 C[C@H](CN)Cc1ccccc1F Amb33747137 [0,2,0,0,0,0|1,0,0]=3 12640 B12R1.371 C[C@H](CO)Cc1ccccc1F Amb25837933 [0,2,0,0,0,0|0,0,0]=2 12641 B12R1.371 C[C@H](CO)Oc1ccccc1Cl Amb27405252 [0,2,0,0,0,0|1,0,0]=3 12642 B12R1.371 C[C@H](CO)Oc1ccccc1I Amb25150105 [0,2,0,0,0,0|1,0,0]=3 12643 B12R1.371 C\C(Cc1ccccc1C)=N/O Amb27412995 [0,2,0,0,0,0|1,0,1]=4 12644 B12R1.371 C\C(Cc1ccccc1C)=N\O Amb27843396 [0,2,0,0,0,0|1,0,1]=4 12645 B12R1.371 C\C(Cc1ccccc1Cl)=N/O Amb6296923 [0,2,0,0,0,0|1,0,1]=4 12646 B12R1.371 C\C(Cc1ccccc1F)=N/O Amb26890978 [0,2,0,0,0,0|1,0,1]=4 12647 B12R1.371 Cc1ccccc1CC(=O)CCl Amb6276835 [0,2,0,0,0,0|1,0,1]=4 12648 B12R1.371 Cc1ccccc1CC(=O)CN Amb18829246 [0,2,0,0,0,0|1,0,1]=4 12649 B12R1.371 Cc1ccccc1CC(=O)CO Amb18563611 [0,2,0,0,0,0|0,0,1]=3 12650 B12R1.371 Cc1ccccc1CC(=O)NO Amb6257569 [0,2,0,0,0,0|1,0,1]=4 12651 B12R1.371 Cc1ccccc1CC(Br)C#N Amb17342951 [0,2,0,0,0,0|1,0,1]=4 12652 B12R1.371 Cc1ccccc1CC(C)C#N Amb27149910 [0,2,0,0,0,0|1,0,1]=4 12653 B12R1.371 Cc1ccccc1CC(C)C=O Amb18645713 [0,2,0,0,0,0|0,0,2]=4 12654 B12R1.371 Cc1ccccc1CC(C)CBr Amb25733982 [0,2,0,0,0,0|1,0,0]=3 12655 B12R1.371 Cc1ccccc1CC(C)CCl Amb28422132 [0,2,0,0,0,0|1,0,0]=3 12656 B12R1.371 Cc1ccccc1CC(C)CN Amb5743837 [0,2,0,0,0,0|1,0,0]=3 12657 B12R1.371 Cc1ccccc1CC(C)CO Amb25152371 [0,2,0,0,0,0|0,0,0]=2 12658 B12R1.371 Cc1ccccc1CC(Cl)C#N Amb17204319 [0,2,0,0,0,0|1,0,1]=4 12659 B12R1.371 Cc1ccccc1CC(Cl)C=O Amb17204326 [0,2,0,0,0,0|0,0,2]=4 12660 B12R1.371 Cc1ccccc1CC(F)C=O Amb27251880 [0,2,0,0,0,0|0,0,2]=4 12661 B12R1.371 Cc1ccccc1CC(N)CO Amb17062685 [0,2,0,0,0,0|0,0,0]=2 12662 B12R1.371 Cc1ccccc1CC(N)CO Amb33329338 [0,2,0,0,0,0|0,0,0]=2 12663 B12R1.371 Cc1ccccc1CC(O)C#N Amb28244190 [0,2,0,0,0,0|1,0,1]=4 12664 B12R1.371 Cc1ccccc1CC(O)CN Amb17232545 [0,2,0,0,0,0|1,0,0]=3 12665 B12R1.371 Cc1ccccc1CC(O)CN Amb32661067 [0,2,0,0,0,0|1,0,0]=3 12666 B12R1.371 Cc1ccccc1C[C@@H](C)CN Amb33747733 [0,2,0,0,0,0|1,0,0]=3 12667 B12R1.371 Cc1ccccc1C[C@@H](C)CO Amb33746673 [0,2,0,0,0,0|0,0,0]=2 12668 B12R1.371 Cc1ccccc1C[C@H](C)CN Amb33738932 [0,2,0,0,0,0|1,0,0]=3 12669 B12R1.371 Cc1ccccc1C[C@H](C)CO Amb33738161 [0,2,0,0,0,0|0,0,0]=2 12670 B12R1.371 Cc1ccccc1C[C@H](N)CO Amb26844931 [0,2,0,0,0,0|0,0,0]=2 12671 B12R1.371 Cc1ccccc1C\C(N)=N/O Amb2696221 [0,2,0,0,0,0|1,0,1]=4 12672 B12R1.371 Cc1ccccc1C\C(N)=N\O Amb1118586 [0,2,0,0,0,0|1,0,1]=4 12673 B12R1.371 Cc1ccccc1NC(=O)CO Amb1110662 [0,2,0,0,0,0|1,0,1]=4 12674 B12R1.371 Cc1ccccc1NC(C)CN Amb18251701 [0,2,0,0,0,0|2,0,0]=4 12675 B12R1.371 Cc1ccccc1OC(C)CBr Amb17248431 [0,2,0,0,0,0|2,0,0]=4 12676 B12R1.371 Cc1ccccc1OC(C)CCl Amb17234168 [0,2,0,0,0,0|2,0,0]=4 12677 B12R1.371 Cc1ccccc1OC(C)CN Amb5781295 [0,2,0,0,0,0|2,0,0]=4 12678 B12R1.371 Cc1ccccc1OC(C)CO Amb17232600 [0,2,0,0,0,0|1,0,0]=3 12679 B12R1.371 Cc1cccnc1CC(N)CO Amb25751493 [0,2,0,0,0,0|1,0,0]=3 12680 B12R1.371 Cc1cccnc1CC(O)CN Amb33360241 [0,2,0,0,0,0|2,0,0]=4 12681 B12R1.371 Cc1ccncc1CC(C)CO Amb27241561 [0,2,0,0,0,0|1,0,0]=3 12682 B12R1.371 Cc1ccncc1CC(N)CO Amb33377024 [0,2,0,0,0,0|1,0,0]=3 12683 B12R1.371 Cc1ccncc1CC(O)CCl Amb27187736 [0,2,0,0,0,0|2,0,0]=4 12684 B12R1.371 Cc1ccncc1CC(O)CN Amb33376386 [0,2,0,0,0,0|2,0,0]=4 12685 B12R1.371 Cc1cnccc1CC(N)CO Amb24549921 [0,2,0,0,0,0|1,0,0]=3 12686 B12R1.371 Cc1cnccc1CC(O)CN Amb33426442 [0,2,0,0,0,0|2,0,0]=4 12687 B12R1.371 Cc1cnccc1SC(C)CO Amb27664030 [0,2,0,0,0,0|2,0,0]=4 12688 B12R1.371 Cc1ncccc1CC(N)CO Amb26616316 [0,2,0,0,0,0|1,0,0]=3 12689 B12R1.371 Cc1ncccc1CC(O)CN Amb32878360 [0,2,0,0,0,0|2,0,0]=4 12690 B12R1.371 Cc1nccnc1CC(N)CO Amb33142992 [0,2,0,0,0,0|2,0,0]=4 12691 B12R1.371 Cc1ncncc1CC(N)CO Amb33465806 [0,2,0,0,0,0|2,0,0]=4 12692 B12R1.371 N#CC(Br)Cc1ccccc1Cl Amb17349963 [0,2,0,0,0,0|1,0,1]=4 12693 B12R1.371 N#CC(Br)Cc1ccccc1F Amb17344011 [0,2,0,0,0,0|1,0,1]=4 12694 B12R1.371 N#CC(Cl)Cc1ccccc1Br Amb17204671 [0,2,0,0,0,0|1,0,1]=4 12695 B12R1.371 N#CC(Cl)Cc1ccccc1Cl Amb2520868 [0,2,0,0,0,0|1,0,1]=4 12696 B12R1.371 N#CC(Cl)Cc1ccccc1F Amb17204330 [0,2,0,0,0,0|1,0,1]=4 12697 B12R1.371 N#CC(N)Cc1ccccc1Br Amb27635957 [0,2,0,0,0,0|1,0,1]=4 12698 B12R1.371 N#CC(N)Cc1ccccc1Cl Amb23557157 [0,2,0,0,0,0|1,0,1]=4 12699 B12R1.371 N#CC(N)Cc1ccccc1F Amb28243982 [0,2,0,0,0,0|1,0,1]=4 12700 B12R1.371 N=C1C=CC=CN1CC(O)CCl Amb18048560 [0,2,0,0,0,0|2,0,0]=4 12701 B12R1.371 NC(CO)Cc1ccccc1Br Amb18747032 [0,2,0,0,0,0|0,0,0]=2 12702 B12R1.371 NC(CO)Cc1ccccc1Cl Amb17062694 [0,2,0,0,0,0|0,0,0]=2 12703 B12R1.371 NC(CO)Cc1ccccc1F Amb17062688 [0,2,0,0,0,0|0,0,0]=2 12704 B12R1.371 NC(CO)Cc1ccccc1O Amb18827210 [0,2,0,0,0,0|0,0,0]=2 12705 B12R1.371 NC(CO)Cc1cccnc1Br Amb27790025 [0,2,0,0,0,0|1,0,0]=3 12706 B12R1.371 NC(CO)Cc1cccnc1Cl Amb25241685 [0,2,0,0,0,0|1,0,0]=3 12707 B12R1.371 NC(CO)Cc1cccnc1F Amb33377936 [0,2,0,0,0,0|1,0,0]=3 12708 B12R1.371 NC(CO)Cc1ccncc1Br Amb24542635 [0,2,0,0,0,0|1,0,0]=3 12709 B12R1.371 NC(CO)Cc1ccncc1Cl Amb25669679 [0,2,0,0,0,0|1,0,0]=3 12710 B12R1.371 NC(CO)Cc1ccncc1F Amb25261338 [0,2,0,0,0,0|1,0,0]=3 12711 B12R1.371 NC(CO)Cc1ncccc1Br Amb24581707 [0,2,0,0,0,0|1,0,0]=3 12712 B12R1.371 NC(CO)Cc1ncccc1F Amb33420859 [0,2,0,0,0,0|1,0,0]=3 12713 B12R1.371 NCC(=O)Cc1ccccc1Br Amb25667280 [0,2,0,0,0,0|1,0,1]=4 12714 B12R1.371 NCC(=O)Cc1ccccc1Cl Amb31203815 [0,2,0,0,0,0|1,0,1]=4 12715 B12R1.371 NCC(=O)Cc1ccccc1F Amb18827239 [0,2,0,0,0,0|1,0,1]=4 12716 B12R1.371 NCC(F)Cc1cnccc1N Amb28341835 [0,2,0,0,0,0|2,0,0]=4 12717 B12R1.371 NCC(N)Cc1ccccc1F Amb27955290 [0,2,0,0,0,0|1,0,0]=3 12718 B12R1.371 NCC(O)CN1C=CC=CC1=O Amb28991151 [0,2,0,0,0,0|2,0,0]=4 12719 B12R1.371 NCC(O)Cc1ccccc1Br Amb18069447 [0,2,0,0,0,0|1,0,0]=3 12720 B12R1.371 NCC(O)Cc1ccccc1Cl Amb17234263 [0,2,0,0,0,0|1,0,0]=3 12721 B12R1.371 NCC(O)Cc1ccccc1Cl Amb32652702 [0,2,0,0,0,0|1,0,0]=3 12722 B12R1.371 NCC(O)Cc1ccccc1F Amb17232700 [0,2,0,0,0,0|1,0,0]=3 12723 B12R1.371 NCC(O)Cc1ccccc1O Amb26883501 [0,2,0,0,0,0|1,0,0]=3 12724 B12R1.371 NCC(O)Cc1cccnc1Br Amb33387857 [0,2,0,0,0,0|2,0,0]=4 12725 B12R1.371 NCC(O)Cc1cccnc1Cl Amb33257380 [0,2,0,0,0,0|2,0,0]=4 12726 B12R1.371 NCC(O)Cc1cccnc1F Amb25762785 [0,2,0,0,0,0|2,0,0]=4 12727 B12R1.371 NCC(O)Cc1ccncc1Br Amb33451537 [0,2,0,0,0,0|2,0,0]=4 12728 B12R1.371 NCC(O)Cc1ccncc1Cl Amb25092324 [0,2,0,0,0,0|2,0,0]=4 12729 B12R1.371 NCC(O)Cc1ccncc1F Amb33316841 [0,2,0,0,0,0|2,0,0]=4 12730 B12R1.371 NCC(O)Cc1ncccc1Br Amb25144691 [0,2,0,0,0,0|2,0,0]=4 12731 B12R1.371 NCC(O)Cc1ncccc1F Amb26481931 [0,2,0,0,0,0|2,0,0]=4 12732 B12R1.371 N[C@@H](CO)Cc1ccccc1Cl Amb25106847 [0,2,0,0,0,0|0,0,0]=2 12733 B12R1.371 N[C@H](CO)Cc1ccccc1Cl Amb22233157 [0,2,0,0,0,0|0,0,0]=2 12734 B12R1.371 N[C@H](CO)Cc1ccccc1F Amb25308478 [0,2,0,0,0,0|0,0,0]=2 12735 B12R1.371 N\C(Cc1ccccc1Br)=N/O Amb6243809 [0,2,0,0,0,0|1,0,1]=4 12736 B12R1.371 N\C(Cc1ccccc1Cl)=N/O Amb33547742 [0,2,0,0,0,0|1,0,1]=4 12737 B12R1.371 N\C(Cc1ccccc1Cl)=N/O Amb9711383 [0,2,0,0,0,0|1,0,1]=4 12738 B12R1.371 N\C(Cc1ccccc1F)=N/O Amb6249029 [0,2,0,0,0,0|1,0,1]=4 12739 B12R1.371 Nc1ccccc1CC(=O)CCl Amb27877103 [0,2,0,0,0,0|1,0,1]=4 12740 B12R1.371 Nc1ccccc1C[C@H](N)CO Amb22233158 [0,2,0,0,0,0|0,0,0]=2 12741 B12R1.371 Nc1ccncc1CC(N)CO Amb27467939 [0,2,0,0,0,0|1,0,0]=3 12742 B12R1.371 Nc1ncccc1CC(O)CCl Amb28120420 [0,2,0,0,0,0|2,0,0]=4 12743 B12R1.371 O=C(CBr)Cc1ccccc1Br Amb25951715 [0,2,0,0,0,0|1,0,1]=4 12744 B12R1.371 O=C(CBr)Cc1ccccc1Cl Amb25312032 [0,2,0,0,0,0|1,0,1]=4 12745 B12R1.371 O=C(CBr)Cc1ccccc1F Amb27814295 [0,2,0,0,0,0|1,0,1]=4 12746 B12R1.371 O=C(CCl)Cc1ccccc1Br Amb33526899 [0,2,0,0,0,0|1,0,1]=4 12747 B12R1.371 O=C(CCl)Cc1ccccc1Cl Amb8887713 [0,2,0,0,0,0|1,0,1]=4 12748 B12R1.371 O=C(CCl)Cc1ccccc1F Amb6269516 [0,2,0,0,0,0|1,0,1]=4 12749 B12R1.371 O=C(CO)Cc1ccccc1Cl Amb18564303 [0,2,0,0,0,0|0,0,1]=3 12750 B12R1.371 O=C(CO)Nc1ccccc1Br Amb1109988 [0,2,0,0,0,0|1,0,1]=4 12751 B12R1.371 O=C(CO)Nc1ccccc1Cl Amb1111147 [0,2,0,0,0,0|1,0,1]=4 12752 B12R1.371 O=C(CO)Nc1ccccc1F Amb1109775 [0,2,0,0,0,0|1,0,1]=4 12753 B12R1.371 O=C(CO)Nc1ccccc1O Amb5798034 [0,2,0,0,0,0|1,0,1]=4 12754 B12R1.371 O=C(Cc1ccccc1Cl)NO Amb6273362 [0,2,0,0,0,0|1,0,1]=4 12755 B12R1.371 O=C(Cc1ccccc1I)NO Amb28184737 [0,2,0,0,0,0|1,0,1]=4 12756 B12R1.371 O=C1C=CC=NN1CC(O)CO Amb26000686 [0,2,0,0,0,0|2,0,0]=4 12757 B12R1.371 O=C1N=CC=CN1C[C@H](O)CO Amb27588929 [0,2,0,0,0,0|2,0,0]=4 12758 B12R1.371 O=CC(Cl)Cc1ccccc1Br Amb17204707 [0,2,0,0,0,0|0,0,2]=4 12759 B12R1.371 O=CC(Cl)Cc1ccccc1Cl Amb17204401 [0,2,0,0,0,0|0,0,2]=4 12760 B12R1.371 O=CC(Cl)Cc1ccccc1F Amb17204341 [0,2,0,0,0,0|0,0,2]=4 12761 B12R1.371 OC(CCl)Cc1cccnc1Br Amb35702780 [0,2,0,0,0,0|2,0,0]=4 12762 B12R1.371 OC(CCl)Cc1ccncc1F Amb28064417 [0,2,0,0,0,0|2,0,0]=4 12763 B12R1.371 OC\C(Cl)=C/c1ccccc1O Amb27256379 [0,2,0,0,0,0|0,0,2]=4 12764 B12R1.371 Oc1ccccc1CC(Cl)CCl Amb28313629 [0,2,0,0,0,0|1,0,0]=3 12765 B12R1.374 BrCCCc1cc(Br)ccc1I Amb27462500 [0,2,0,0,0,0|1,0,0]=3 12766 B12R1.374 BrCCOc1cc(Br)ccc1Br Amb10068285 [0,2,0,0,0,0|2,0,0]=4 12767 B12R1.374 C#CCCc1cc(Br)ccc1Br Amb33331389 [0,2,0,0,0,0|1,0,1]=4 12768 B12R1.374 C#CCCc1cc(Br)ccc1C Amb33386634 [0,2,0,0,0,0|1,0,1]=4 12769 B12R1.374 C#CCCc1cc(Br)ccc1Cl Amb33386452 [0,2,0,0,0,0|1,0,1]=4 12770 B12R1.374 C#CCCc1cc(Br)ccc1F Amb33114449 [0,2,0,0,0,0|1,0,1]=4 12771 B12R1.374 C#CCCc1cc(Br)ccc1O Amb33333602 [0,2,0,0,0,0|1,0,1]=4 12772 B12R1.374 C#CCCc1cc(C)ccc1Br Amb33477898 [0,2,0,0,0,0|1,0,1]=4 12773 B12R1.374 C#CCCc1cc(C)ccc1C Amb18117997 [0,2,0,0,0,0|1,0,1]=4 12774 B12R1.374 C#CCCc1cc(C)ccc1Cl Amb33260850 [0,2,0,0,0,0|1,0,1]=4 12775 B12R1.374 C#CCCc1cc(C)ccc1F Amb33270567 [0,2,0,0,0,0|1,0,1]=4 12776 B12R1.374 C#CCCc1cc(C)ccc1O Amb27164666 [0,2,0,0,0,0|1,0,1]=4 12777 B12R1.374 C#CCCc1cc(Cl)ccc1Br Amb33478273 [0,2,0,0,0,0|1,0,1]=4 12778 B12R1.374 C#CCCc1cc(Cl)ccc1O Amb33052698 [0,2,0,0,0,0|1,0,1]=4 12779 B12R1.374 C#CCCc1cc(F)ccc1Br Amb33008796 [0,2,0,0,0,0|1,0,1]=4 12780 B12R1.374 C#CCCc1cc(F)ccc1C Amb33199721 [0,2,0,0,0,0|1,0,1]=4 12781 B12R1.374 C#CCCc1cc(F)ccc1Cl Amb33058823 [0,2,0,0,0,0|1,0,1]=4 12782 B12R1.374 C#CCCc1cc(F)ccc1F Amb33267005 [0,2,0,0,0,0|1,0,1]=4 12783 B12R1.374 C#CCCc1cc(F)ccc1O Amb24100511 [0,2,0,0,0,0|1,0,1]=4 12784 B12R1.374 C#CCCc1cc(O)ccc1Br Amb33387004 [0,2,0,0,0,0|1,0,1]=4 12785 B12R1.374 C#CCCc1cc(O)ccc1O Amb33268494 [0,2,0,0,0,0|1,0,1]=4 12786 B12R1.374 C=CCCc1cc(C)ccc1Cl Amb29867188 [0,2,0,0,0,0|1,0,1]=4 12787 B12R1.374 C=CCCc1cc(C)ccc1F Amb30012313 [0,2,0,0,0,0|1,0,1]=4 12788 B12R1.374 C=CCCc1cc(Cl)ccc1Br Amb28460915 [0,2,0,0,0,0|1,0,1]=4 12789 B12R1.374 C=CCCc1cc(Cl)ccc1F Amb28314187 [0,2,0,0,0,0|1,0,1]=4 12790 B12R1.374 C=CCCc1cc(Cl)ccc1I Amb35706094 [0,2,0,0,0,0|1,0,1]=4 12791 B12R1.374 C=CCCc1cc(F)ccc1Br Amb27631371 [0,2,0,0,0,0|1,0,1]=4 12792 B12R1.374 C=CCCc1cc(F)ccc1Cl Amb27784280 [0,2,0,0,0,0|1,0,1]=4 12793 B12R1.374 CC1=CN(CCCN)C(=O)C=C1 Amb18030530 [0,2,0,0,0,0|2,0,0]=4 12794 B12R1.374 CC1=CN(CCCO)C(=O)C=C1 Amb18041286 [0,2,0,0,0,0|1,0,0]=3 12795 B12R1.374 CCCCC1=C(C)C=CC(=O)N1 Amb27613064 [0,2,0,0,0,0|2,0,0]=4 12796 B12R1.374 CCCCN1C=C(Br)C=CC1=O Amb18404496 [0,2,0,0,0,0|2,0,0]=4 12797 B12R1.374 CCCCN1C=C(C)C=CC1=O Amb18404884 [0,2,0,0,0,0|2,0,0]=4 12798 B12R1.374 CCCCN1C=C(N)C=CC1=O Amb18030068 [0,2,0,0,0,0|2,0,0]=4 12799 B12R1.374 CCCCc1cc(Br)ccc1N Amb27812883 [0,2,0,0,0,0|1,0,0]=3 12800 B12R1.374 CCCCc1cc(Br)cnc1Br Amb27185991 [0,2,0,0,0,0|2,0,0]=4 12801 B12R1.374 CCCCc1cc(C)ccc1O Amb27973016 [0,2,0,0,0,0|1,0,0]=3 12802 B12R1.374 CCCCc1cc(Cl)cnc1F Amb32648146 [0,2,0,0,0,0|2,0,0]=4 12803 B12R1.374 CCCCc1cc(N)ccc1C Amb26961999 [0,2,0,0,0,0|1,0,0]=3 12804 B12R1.374 CCCCc1cc(N)ccc1Cl Amb25843846 [0,2,0,0,0,0|1,0,0]=3 12805 B12R1.374 CCCCc1cc(O)ccc1N Amb27657773 [0,2,0,0,0,0|1,0,0]=3 12806 B12R1.374 CCCCc1cc(O)cnc1C Amb32759498 [0,2,0,0,0,0|2,0,0]=4 12807 B12R1.374 CCCCc1nc(C)ccc1N Amb27143903 [0,2,0,0,0,0|2,0,0]=4 12808 B12R1.374 CCCCc1nc(N)ccc1I Amb26639469 [0,2,0,0,0,0|2,0,0]=4 12809 B12R1.374 CCCNc1cc(Br)ccc1N Amb25738246 [0,2,0,0,0,0|2,0,0]=4 12810 B12R1.374 CCCNc1cc(C)ccc1C Amb4313517 [0,2,0,0,0,0|2,0,0]=4 12811 B12R1.374 CCCNc1cc(C)ccc1N Amb23114177 [0,2,0,0,0,0|2,0,0]=4 12812 B12R1.374 CCCNc1cc(Cl)ccc1C Amb6683517 [0,2,0,0,0,0|2,0,0]=4 12813 B12R1.374 CCCNc1cc(Cl)ccc1Cl Amb6647443 [0,2,0,0,0,0|2,0,0]=4 12814 B12R1.374 CCCNc1cc(Cl)ccc1I Amb30016029 [0,2,0,0,0,0|2,0,0]=4 12815 B12R1.374 CCCNc1cc(Cl)ccc1N Amb26025569 [0,2,0,0,0,0|2,0,0]=4 12816 B12R1.374 CCCNc1cc(Cl)ccc1O Amb27164011 [0,2,0,0,0,0|2,0,0]=4 12817 B12R1.374 CCCNc1cc(F)ccc1Cl Amb28384962 [0,2,0,0,0,0|2,0,0]=4 12818 B12R1.374 CCCNc1cc(F)ccc1F Amb6691519 [0,2,0,0,0,0|2,0,0]=4 12819 B12R1.374 CCCNc1cc(F)ccc1N Amb18989853 [0,2,0,0,0,0|2,0,0]=4 12820 B12R1.374 CCCNc1cc(I)ccc1C Amb27760818 [0,2,0,0,0,0|2,0,0]=4 12821 B12R1.374 CCCOc1cc(Br)ccc1F Amb24483694 [0,2,0,0,0,0|2,0,0]=4 12822 B12R1.374 CCCOc1cc(Br)ccc1N Amb24727840 [0,2,0,0,0,0|2,0,0]=4 12823 B12R1.374 CCCOc1cc(C)ccc1Br Amb35663090 [0,2,0,0,0,0|2,0,0]=4 12824 B12R1.374 CCCOc1cc(C)ccc1Cl Amb27466768 [0,2,0,0,0,0|2,0,0]=4 12825 B12R1.374 CCCOc1cc(C)ccc1F Amb21856655 [0,2,0,0,0,0|2,0,0]=4 12826 B12R1.374 CCCOc1cc(C)ccc1N Amb6266710 [0,2,0,0,0,0|2,0,0]=4 12827 B12R1.374 CCCOc1cc(Cl)ccc1N Amb18296228 [0,2,0,0,0,0|2,0,0]=4 12828 B12R1.374 CCCOc1cc(Cl)ccc1O Amb25282670 [0,2,0,0,0,0|2,0,0]=4 12829 B12R1.374 CCCOc1cc(F)ccc1Br Amb27623285 [0,2,0,0,0,0|2,0,0]=4 12830 B12R1.374 CCCOc1cc(F)ccc1N Amb1132322 [0,2,0,0,0,0|2,0,0]=4 12831 B12R1.374 CCCOc1cc(F)ccc1S Amb26651834 [0,2,0,0,0,0|2,0,0]=4 12832 B12R1.374 CCCOc1cc(N)ccc1C Amb9381478 [0,2,0,0,0,0|2,0,0]=4 12833 B12R1.374 CCCOc1cc(N)ccc1Cl Amb18649207 [0,2,0,0,0,0|2,0,0]=4 12834 B12R1.374 CCCOc1cc(N)ccc1N Amb28364725 [0,2,0,0,0,0|2,0,0]=4 12835 B12R1.374 CCCOc1cc(O)ccc1Cl Amb26463653 [0,2,0,0,0,0|2,0,0]=4 12836 B12R1.374 CCCOc1cc(O)ccc1N Amb24461245 [0,2,0,0,0,0|2,0,0]=4 12837 B12R1.374 CCCOc1cc(S)ccc1C Amb28399363 [0,2,0,0,0,0|2,0,0]=4 12838 B12R1.374 CCCOc1cc(S)ccc1F Amb25692041 [0,2,0,0,0,0|2,0,0]=4 12839 B12R1.374 CCCSc1cc(Br)ccc1N Amb27794183 [0,2,0,0,0,0|2,0,0]=4 12840 B12R1.374 CCCSc1cc(C)ccc1C Amb27649867 [0,2,0,0,0,0|2,0,0]=4 12841 B12R1.374 CCCSc1cc(Cl)ccc1Cl Amb26038787 [0,2,0,0,0,0|2,0,0]=4 12842 B12R1.374 CCCSc1cc(F)ccc1F Amb28185683 [0,2,0,0,0,0|2,0,0]=4 12843 B12R1.374 CCNCc1cc(Br)ccc1Br Amb27636783 [0,2,0,0,0,0|2,0,0]=4 12844 B12R1.374 CCNCc1cc(Br)ccc1C Amb25743327 [0,2,0,0,0,0|2,0,0]=4 12845 B12R1.374 CCNCc1cc(Br)ccc1F Amb13952066 [0,2,0,0,0,0|2,0,0]=4 12846 B12R1.374 CCNCc1cc(Br)ccc1F Amb6252225 [0,2,0,0,0,0|2,0,0]=4 12847 B12R1.374 CCNCc1cc(Br)ccc1I Amb27439500 [0,2,0,0,0,0|2,0,0]=4 12848 B12R1.374 CCNCc1cc(Br)ccc1N Amb27200279 [0,2,0,0,0,0|2,0,0]=4 12849 B12R1.374 CCNCc1cc(Br)ccc1O Amb17144307 [0,2,0,0,0,0|2,0,0]=4 12850 B12R1.374 CCNCc1cc(C)ccc1Br Amb27834140 [0,2,0,0,0,0|2,0,0]=4 12851 B12R1.374 CCNCc1cc(C)ccc1C Amb8841260 [0,2,0,0,0,0|2,0,0]=4 12852 B12R1.374 CCNCc1cc(C)ccc1O Amb9776241 [0,2,0,0,0,0|2,0,0]=4 12853 B12R1.374 CCNCc1cc(Cl)ccc1C Amb27656730 [0,2,0,0,0,0|2,0,0]=4 12854 B12R1.374 CCNCc1cc(Cl)ccc1O Amb6261308 [0,2,0,0,0,0|2,0,0]=4 12855 B12R1.374 CCNCc1cc(F)ccc1C Amb19002202 [0,2,0,0,0,0|2,0,0]=4 12856 B12R1.374 CCNCc1cc(F)ccc1F Amb8853695 [0,2,0,0,0,0|2,0,0]=4 12857 B12R1.374 CCNCc1cc(F)ccc1O Amb18275908 [0,2,0,0,0,0|2,0,0]=4 12858 B12R1.374 CCNCc1cc(I)ccc1Br Amb27867308 [0,2,0,0,0,0|2,0,0]=4 12859 B12R1.374 CCNCc1cc(I)ccc1F Amb27426763 [0,2,0,0,0,0|2,0,0]=4 12860 B12R1.374 CCNCc1cc(N)ccc1F Amb28249253 [0,2,0,0,0,0|2,0,0]=4 12861 B12R1.374 CCNCc1cc(N)ccc1O Amb17613931 [0,2,0,0,0,0|2,0,0]=4 12862 B12R1.374 CCNCc1cc(O)ccc1Br Amb21926786 [0,2,0,0,0,0|2,0,0]=4 12863 B12R1.374 CCNCc1cc(O)ccc1C Amb35664909 [0,2,0,0,0,0|2,0,0]=4 12864 B12R1.374 CCOCc1cc(Br)ccc1C Amb27956158 [0,2,0,0,0,0|2,0,0]=4 12865 B12R1.374 CCOCc1cc(Br)ccc1F Amb22900162 [0,2,0,0,0,0|2,0,0]=4 12866 B12R1.374 CCOCc1cc(Cl)ccc1I Amb35697894 [0,2,0,0,0,0|2,0,0]=4 12867 B12R1.374 CCOCc1cc(Cl)ccc1N Amb27483601 [0,2,0,0,0,0|2,0,0]=4 12868 B12R1.374 CCOCc1cc(F)ccc1Br Amb22900140 [0,2,0,0,0,0|2,0,0]=4 12869 B12R1.374 CCSCc1cc(C)ccc1C Amb26615679 [0,2,0,0,0,0|2,0,0]=4 12870 B12R1.374 CCSCc1cc(Cl)ccc1I Amb29864007 [0,2,0,0,0,0|2,0,0]=4 12871 B12R1.374 CCSCc1cc(F)ccc1Br Amb26957752 [0,2,0,0,0,0|2,0,0]=4 12872 B12R1.374 CCSCc1cc(F)ccc1C Amb27589578 [0,2,0,0,0,0|2,0,0]=4 12873 B12R1.374 CCSCc1cc(F)ccc1F Amb26327729 [0,2,0,0,0,0|2,0,0]=4 12874 B12R1.374 CCSCc1cc(F)ccc1N Amb9302803 [0,2,0,0,0,0|2,0,0]=4 12875 B12R1.374 CNCCc1cc(Br)ccc1C Amb26552634 [0,2,0,0,0,0|2,0,0]=4 12876 B12R1.374 CNCCc1cc(Br)ccc1Cl Amb25159743 [0,2,0,0,0,0|2,0,0]=4 12877 B12R1.374 CNCCc1cc(Br)ccc1F Amb18299520 [0,2,0,0,0,0|2,0,0]=4 12878 B12R1.374 CNCCc1cc(Br)ccc1O Amb33333200 [0,2,0,0,0,0|2,0,0]=4 12879 B12R1.374 CNCCc1cc(C)ccc1Br Amb28292457 [0,2,0,0,0,0|2,0,0]=4 12880 B12R1.374 CNCCc1cc(C)ccc1C Amb17085230 [0,2,0,0,0,0|2,0,0]=4 12881 B12R1.374 CNCCc1cc(C)ccc1Cl Amb26969992 [0,2,0,0,0,0|2,0,0]=4 12882 B12R1.374 CNCCc1cc(C)ccc1F Amb18301316 [0,2,0,0,0,0|2,0,0]=4 12883 B12R1.374 CNCCc1cc(C)ccc1O Amb18940457 [0,2,0,0,0,0|2,0,0]=4 12884 B12R1.374 CNCCc1cc(Cl)ccc1Br Amb27817336 [0,2,0,0,0,0|2,0,0]=4 12885 B12R1.374 CNCCc1cc(Cl)ccc1C Amb25878157 [0,2,0,0,0,0|2,0,0]=4 12886 B12R1.374 CNCCc1cc(Cl)ccc1Cl Amb26503159 [0,2,0,0,0,0|2,0,0]=4 12887 B12R1.374 CNCCc1cc(Cl)ccc1F Amb18243883 [0,2,0,0,0,0|2,0,0]=4 12888 B12R1.374 CNCCc1cc(Cl)ccc1I Amb29864289 [0,2,0,0,0,0|2,0,0]=4 12889 B12R1.374 CNCCc1cc(Cl)ccc1O Amb18939315 [0,2,0,0,0,0|2,0,0]=4 12890 B12R1.374 CNCCc1cc(F)ccc1Br Amb18299508 [0,2,0,0,0,0|2,0,0]=4 12891 B12R1.374 CNCCc1cc(F)ccc1C Amb18301289 [0,2,0,0,0,0|2,0,0]=4 12892 B12R1.374 CNCCc1cc(F)ccc1Cl Amb26323416 [0,2,0,0,0,0|2,0,0]=4 12893 B12R1.374 CNCCc1cc(F)ccc1F Amb18993055 [0,2,0,0,0,0|2,0,0]=4 12894 B12R1.374 CNCCc1cc(F)ccc1O Amb18275939 [0,2,0,0,0,0|2,0,0]=4 12895 B12R1.374 CNCCc1cc(O)ccc1Br Amb25283021 [0,2,0,0,0,0|2,0,0]=4 12896 B12R1.374 CNCCc1cc(O)ccc1C Amb26058176 [0,2,0,0,0,0|2,0,0]=4 12897 B12R1.374 CNCCc1cc(O)ccc1Cl Amb24684086 [0,2,0,0,0,0|2,0,0]=4 12898 B12R1.374 CNCCc1cc(O)ccc1F Amb26883675 [0,2,0,0,0,0|2,0,0]=4 12899 B12R1.374 CNCCc1cc(O)ccc1O Amb27658706 [0,2,0,0,0,0|2,0,0]=4 12900 B12R1.374 COCCc1cc(O)ccc1N Amb28397614 [0,2,0,0,0,0|2,0,0]=4 12901 B12R1.374 Cc1cc(CCCN)c(C)cn1 Amb28041500 [0,2,0,0,0,0|2,0,0]=4 12902 B12R1.374 Cc1cc(CCCO)c(C)nn1 Amb23560290 [0,2,0,0,0,0|2,0,0]=4 12903 B12R1.374 Cc1ccc(Br)c(CCC#N)c1 Amb28286751 [0,2,0,0,0,0|1,0,1]=4 12904 B12R1.374 Cc1ccc(Br)c(CCC=O)c1 Amb28187072 [0,2,0,0,0,0|0,0,2]=4 12905 B12R1.374 Cc1ccc(Br)c(CCCBr)c1 Amb26645598 [0,2,0,0,0,0|1,0,0]=3 12906 B12R1.374 Cc1ccc(Br)c(CCCCl)c1 Amb28196523 [0,2,0,0,0,0|1,0,0]=3 12907 B12R1.374 Cc1ccc(Br)c(CCCN)c1 Amb26605852 [0,2,0,0,0,0|1,0,0]=3 12908 B12R1.374 Cc1ccc(Br)c(CCCO)c1 Amb33477903 [0,2,0,0,0,0|0,0,0]=2 12909 B12R1.374 Cc1ccc(Br)c(CCCS)c1 Amb33477913 [0,2,0,0,0,0|0,1,0]=3 12910 B12R1.374 Cc1ccc(Br)c(CCON)c1 Amb33477508 [0,2,0,0,0,0|2,0,0]=4 12911 B12R1.374 Cc1ccc(Br)c(NCCO)c1 Amb27599653 [0,2,0,0,0,0|1,0,0]=3 12912 B12R1.374 Cc1ccc(Br)c(OCCBr)c1 Amb35602464 [0,2,0,0,0,0|2,0,0]=4 12913 B12R1.374 Cc1ccc(Br)c(OCCCl)c1 Amb35602463 [0,2,0,0,0,0|2,0,0]=4 12914 B12R1.374 Cc1ccc(Br)c(OCCF)c1 Amb35663354 [0,2,0,0,0,0|2,0,0]=4 12915 B12R1.374 Cc1ccc(Br)c(OCCN)c1 Amb27166651 [0,2,0,0,0,0|2,0,0]=4 12916 B12R1.374 Cc1ccc(Br)c(OCCO)c1 Amb30016163 [0,2,0,0,0,0|1,0,0]=3 12917 B12R1.374 Cc1ccc(Br)c(OCCS)c1 Amb35664907 [0,2,0,0,0,0|1,1,0]=4 12918 B12R1.374 Cc1ccc(Br)c(\C=C\CO)c1 Amb33477530 [0,2,0,0,0,0|0,0,2]=4 12919 B12R1.374 Cc1ccc(Br)cc1CCC#N Amb25701944 [0,2,0,0,0,0|1,0,1]=4 12920 B12R1.374 Cc1ccc(Br)cc1CCC=O Amb27209546 [0,2,0,0,0,0|0,0,2]=4 12921 B12R1.374 Cc1ccc(Br)cc1CCCBr Amb26951927 [0,2,0,0,0,0|1,0,0]=3 12922 B12R1.374 Cc1ccc(Br)cc1CCCCl Amb26846546 [0,2,0,0,0,0|1,0,0]=3 12923 B12R1.374 Cc1ccc(Br)cc1CCCN Amb26970083 [0,2,0,0,0,0|1,0,0]=3 12924 B12R1.374 Cc1ccc(Br)cc1CCCO Amb28318384 [0,2,0,0,0,0|0,0,0]=2 12925 B12R1.374 Cc1ccc(Br)cc1CCCS Amb25036393 [0,2,0,0,0,0|0,1,0]=3 12926 B12R1.374 Cc1ccc(Br)cc1CCON Amb28048103 [0,2,0,0,0,0|2,0,0]=4 12927 B12R1.374 Cc1ccc(Br)cc1NCCN Amb26883679 [0,2,0,0,0,0|2,0,0]=4 12928 B12R1.374 Cc1ccc(Br)cc1OCCN Amb24116411 [0,2,0,0,0,0|2,0,0]=4 12929 B12R1.374 Cc1ccc(Br)cc1\C=C\CO Amb33450354 [0,2,0,0,0,0|0,0,2]=4 12930 B12R1.374 Cc1ccc(C)c(C#CCO)c1 Amb18792227 [0,2,0,0,0,0|0,0,2]=4 12931 B12R1.374 Cc1ccc(C)c(CCC#N)c1 Amb17204301 [0,2,0,0,0,0|1,0,1]=4 12932 B12R1.374 Cc1ccc(C)c(CCC=O)c1 Amb18798123 [0,2,0,0,0,0|0,0,2]=4 12933 B12R1.374 Cc1ccc(C)c(CCCBr)c1 Amb24593678 [0,2,0,0,0,0|1,0,0]=3 12934 B12R1.374 Cc1ccc(C)c(CCCCl)c1 Amb18325129 [0,2,0,0,0,0|1,0,0]=3 12935 B12R1.374 Cc1ccc(C)c(CCCN)c1 Amb17204307 [0,2,0,0,0,0|1,0,0]=3 12936 B12R1.374 Cc1ccc(C)c(CCCO)c1 Amb17400156 [0,2,0,0,0,0|0,0,0]=2 12937 B12R1.374 Cc1ccc(C)c(CCCS)c1 Amb27147594 [0,2,0,0,0,0|0,1,0]=3 12938 B12R1.374 Cc1ccc(C)c(CCNN)c1 Amb17400164 [0,2,0,0,0,0|2,0,0]=4 12939 B12R1.374 Cc1ccc(C)c(CCON)c1 Amb33422608 [0,2,0,0,0,0|2,0,0]=4 12940 B12R1.374 Cc1ccc(C)c(NCCCl)c1 Amb17335662 [0,2,0,0,0,0|2,0,0]=4 12941 B12R1.374 Cc1ccc(C)c(NCCN)c1 Amb17091051 [0,2,0,0,0,0|2,0,0]=4 12942 B12R1.374 Cc1ccc(C)c(NCCO)c1 Amb6714168 [0,2,0,0,0,0|1,0,0]=3 12943 B12R1.374 Cc1ccc(C)c(OCCBr)c1 Amb1105545 [0,2,0,0,0,0|2,0,0]=4 12944 B12R1.374 Cc1ccc(C)c(OCCCl)c1 Amb8828431 [0,2,0,0,0,0|2,0,0]=4 12945 B12R1.374 Cc1ccc(C)c(OCCN)c1 Amb1101722 [0,2,0,0,0,0|2,0,0]=4 12946 B12R1.374 Cc1ccc(C)c(OCCO)c1 Amb9370664 [0,2,0,0,0,0|1,0,0]=3 12947 B12R1.374 Cc1ccc(C)c(OCCS)c1 Amb6255873 [0,2,0,0,0,0|1,1,0]=4 12948 B12R1.374 Cc1ccc(C)c(SCCN)c1 Amb6269656 [0,2,0,0,0,0|2,0,0]=4 12949 B12R1.374 Cc1ccc(C)c(\C=C\CO)c1 Amb27174811 [0,2,0,0,0,0|0,0,2]=4 12950 B12R1.374 Cc1ccc(Cl)c(C#CCO)c1 Amb27984065 [0,2,0,0,0,0|0,0,2]=4 12951 B12R1.374 Cc1ccc(Cl)c(CCC#N)c1 Amb25376438 [0,2,0,0,0,0|1,0,1]=4 12952 B12R1.374 Cc1ccc(Cl)c(CCC=O)c1 Amb27471041 [0,2,0,0,0,0|0,0,2]=4 12953 B12R1.374 Cc1ccc(Cl)c(CCCBr)c1 Amb28458592 [0,2,0,0,0,0|1,0,0]=3 12954 B12R1.374 Cc1ccc(Cl)c(CCCCl)c1 Amb25242993 [0,2,0,0,0,0|1,0,0]=3 12955 B12R1.374 Cc1ccc(Cl)c(CCCN)c1 Amb18909370 [0,2,0,0,0,0|1,0,0]=3 12956 B12R1.374 Cc1ccc(Cl)c(CCCO)c1 Amb25074743 [0,2,0,0,0,0|0,0,0]=2 12957 B12R1.374 Cc1ccc(Cl)c(CCCS)c1 Amb33413736 [0,2,0,0,0,0|0,1,0]=3 12958 B12R1.374 Cc1ccc(Cl)c(CCON)c1 Amb33260497 [0,2,0,0,0,0|2,0,0]=4 12959 B12R1.374 Cc1ccc(Cl)c(OCCBr)c1 Amb8867463 [0,2,0,0,0,0|2,0,0]=4 12960 B12R1.374 Cc1ccc(Cl)c(OCCCl)c1 Amb9025041 [0,2,0,0,0,0|2,0,0]=4 12961 B12R1.374 Cc1ccc(Cl)c(OCCN)c1 Amb21959599 [0,2,0,0,0,0|2,0,0]=4 12962 B12R1.374 Cc1ccc(Cl)c(OCCN)c1 Amb9025059 [0,2,0,0,0,0|2,0,0]=4 12963 B12R1.374 Cc1ccc(Cl)c(OCCO)c1 Amb9274259 [0,2,0,0,0,0|1,0,0]=3 12964 B12R1.374 Cc1ccc(Cl)c(OCCS)c1 Amb17237592 [0,2,0,0,0,0|1,1,0]=4 12965 B12R1.374 Cc1ccc(Cl)c(\C=C\CO)c1 Amb33260492 [0,2,0,0,0,0|0,0,2]=4 12966 B12R1.374 Cc1ccc(Cl)cc1C#CCO Amb28124770 [0,2,0,0,0,0|0,0,2]=4 12967 B12R1.374 Cc1ccc(Cl)cc1CCC#N Amb17204323 [0,2,0,0,0,0|1,0,1]=4 12968 B12R1.374 Cc1ccc(Cl)cc1CCC=O Amb18564227 [0,2,0,0,0,0|0,0,2]=4 12969 B12R1.374 Cc1ccc(Cl)cc1CCCBr Amb24615762 [0,2,0,0,0,0|1,0,0]=3 12970 B12R1.374 Cc1ccc(Cl)cc1CCCCl Amb25952144 [0,2,0,0,0,0|1,0,0]=3 12971 B12R1.374 Cc1ccc(Cl)cc1CCCN Amb17204336 [0,2,0,0,0,0|1,0,0]=3 12972 B12R1.374 Cc1ccc(Cl)cc1NCCCl Amb17338052 [0,2,0,0,0,0|2,0,0]=4 12973 B12R1.374 Cc1ccc(Cl)cc1NCCN Amb17091058 [0,2,0,0,0,0|2,0,0]=4 12974 B12R1.374 Cc1ccc(Cl)cc1NCCO Amb6706402 [0,2,0,0,0,0|1,0,0]=3 12975 B12R1.374 Cc1ccc(Cl)cc1OCCCl Amb27641822 [0,2,0,0,0,0|2,0,0]=4 12976 B12R1.374 Cc1ccc(Cl)cc1OCCF Amb27865176 [0,2,0,0,0,0|2,0,0]=4 12977 B12R1.374 Cc1ccc(Cl)cc1OCCN Amb18649214 [0,2,0,0,0,0|2,0,0]=4 12978 B12R1.374 Cc1ccc(Cl)cc1\C=C\CO Amb25721181 [0,2,0,0,0,0|0,0,2]=4 12979 B12R1.374 Cc1ccc(Cl)nc1CCCN Amb28068603 [0,2,0,0,0,0|2,0,0]=4 12980 B12R1.374 Cc1ccc(F)c(CCC#N)c1 Amb26016373 [0,2,0,0,0,0|1,0,1]=4 12981 B12R1.374 Cc1ccc(F)c(CCC=O)c1 Amb25775656 [0,2,0,0,0,0|0,0,2]=4 12982 B12R1.374 Cc1ccc(F)c(CCCBr)c1 Amb25876331 [0,2,0,0,0,0|1,0,0]=3 12983 B12R1.374 Cc1ccc(F)c(CCCCl)c1 Amb25250611 [0,2,0,0,0,0|1,0,0]=3 12984 B12R1.374 Cc1ccc(F)c(CCCN)c1 Amb28047637 [0,2,0,0,0,0|1,0,0]=3 12985 B12R1.374 Cc1ccc(F)c(CCCO)c1 Amb25148634 [0,2,0,0,0,0|0,0,0]=2 12986 B12R1.374 Cc1ccc(F)c(CCCS)c1 Amb33270316 [0,2,0,0,0,0|0,1,0]=3 12987 B12R1.374 Cc1ccc(F)c(CCON)c1 Amb33271319 [0,2,0,0,0,0|2,0,0]=4 12988 B12R1.374 Cc1ccc(F)c(OCCBr)c1 Amb27474666 [0,2,0,0,0,0|2,0,0]=4 12989 B12R1.374 Cc1ccc(F)c(OCCCl)c1 Amb28318027 [0,2,0,0,0,0|2,0,0]=4 12990 B12R1.374 Cc1ccc(F)c(OCCN)c1 Amb27474665 [0,2,0,0,0,0|2,0,0]=4 12991 B12R1.374 Cc1ccc(F)c(\C=C\CO)c1 Amb27834532 [0,2,0,0,0,0|0,0,2]=4 12992 B12R1.374 Cc1ccc(F)cc1CCC#N Amb25738354 [0,2,0,0,0,0|1,0,1]=4 12993 B12R1.374 Cc1ccc(F)cc1CCC=O Amb26860965 [0,2,0,0,0,0|0,0,2]=4 12994 B12R1.374 Cc1ccc(F)cc1CCCBr Amb26061387 [0,2,0,0,0,0|1,0,0]=3 12995 B12R1.374 Cc1ccc(F)cc1CCCCl Amb26330814 [0,2,0,0,0,0|1,0,0]=3 12996 B12R1.374 Cc1ccc(F)cc1CCCN Amb27592446 [0,2,0,0,0,0|1,0,0]=3 12997 B12R1.374 Cc1ccc(F)cc1CCCO Amb25886854 [0,2,0,0,0,0|0,0,0]=2 12998 B12R1.374 Cc1ccc(F)cc1CCCS Amb33199386 [0,2,0,0,0,0|0,1,0]=3 12999 B12R1.374 Cc1ccc(F)cc1CCNN Amb28457890 [0,2,0,0,0,0|2,0,0]=4 13000 B12R1.374 Cc1ccc(F)cc1CCON Amb33200105 [0,2,0,0,0,0|2,0,0]=4 13001 B12R1.374 Cc1ccc(F)cc1NCCF Amb27799699 [0,2,0,0,0,0|2,0,0]=4 13002 B12R1.374 Cc1ccc(F)cc1OCCN Amb24682325 [0,2,0,0,0,0|2,0,0]=4 13003 B12R1.374 Cc1ccc(F)cc1OCCS Amb28454492 [0,2,0,0,0,0|1,1,0]=4 13004 B12R1.374 Cc1ccc(F)cc1\C=C\CO Amb33358703 [0,2,0,0,0,0|0,0,2]=4 13005 B12R1.374 Cc1ccc(F)nc1CCCN Amb27171337 [0,2,0,0,0,0|2,0,0]=4 13006 B12R1.374 Cc1ccc(I)c(CCC=O)c1 Amb27851427 [0,2,0,0,0,0|0,0,2]=4 13007 B12R1.374 Cc1ccc(I)c(CCCBr)c1 Amb27654240 [0,2,0,0,0,0|1,0,0]=3 13008 B12R1.374 Cc1ccc(I)cc1CCC#N Amb27798702 [0,2,0,0,0,0|1,0,1]=4 13009 B12R1.374 Cc1ccc(I)cc1CCCBr Amb26621066 [0,2,0,0,0,0|1,0,0]=3 13010 B12R1.374 Cc1ccc(I)cc1CCCCl Amb25959093 [0,2,0,0,0,0|1,0,0]=3 13011 B12R1.374 Cc1ccc(I)cc1OCCF Amb28194484 [0,2,0,0,0,0|2,0,0]=4 13012 B12R1.374 Cc1ccc(I)cc1OCCO Amb27973522 [0,2,0,0,0,0|1,0,0]=3 13013 B12R1.374 Cc1ccc(N)c(CCC#N)c1 Amb27615829 [0,2,0,0,0,0|1,0,1]=4 13014 B12R1.374 Cc1ccc(N)c(CCCBr)c1 Amb25952097 [0,2,0,0,0,0|1,0,0]=3 13015 B12R1.374 Cc1ccc(N)c(CCCCl)c1 Amb27616077 [0,2,0,0,0,0|1,0,0]=3 13016 B12R1.374 Cc1ccc(N)c(NCCN)c1 Amb27167275 [0,2,0,0,0,0|2,0,0]=4 13017 B12R1.374 Cc1ccc(N)c(NCCO)c1 Amb27257675 [0,2,0,0,0,0|1,0,0]=3 13018 B12R1.374 Cc1ccc(N)c(NCCO)n1 Amb17209129 [0,2,0,0,0,0|2,0,0]=4 13019 B12R1.374 Cc1ccc(N)c(OCCF)c1 Amb25948544 [0,2,0,0,0,0|2,0,0]=4 13020 B12R1.374 Cc1ccc(N)c(OCCO)c1 Amb6702384 [0,2,0,0,0,0|1,0,0]=3 13021 B12R1.374 Cc1ccc(N)c(OCCO)n1 Amb25968048 [0,2,0,0,0,0|2,0,0]=4 13022 B12R1.374 Cc1ccc(N)c(SCCN)c1 Amb27870339 [0,2,0,0,0,0|2,0,0]=4 13023 B12R1.374 Cc1ccc(N)cc1CCC#N Amb26647304 [0,2,0,0,0,0|1,0,1]=4 13024 B12R1.374 Cc1ccc(N)cc1CCCBr Amb27616076 [0,2,0,0,0,0|1,0,0]=3 13025 B12R1.374 Cc1ccc(N)cc1OCCF Amb25063471 [0,2,0,0,0,0|2,0,0]=4 13026 B12R1.374 Cc1ccc(N)cc1SCCF Amb28203195 [0,2,0,0,0,0|2,0,0]=4 13027 B12R1.374 Cc1ccc(N)cc1SCCO Amb18993401 [0,2,0,0,0,0|1,0,0]=3 13028 B12R1.374 Cc1ccc(O)c(CCC#N)c1 Amb25773347 [0,2,0,0,0,0|1,0,1]=4 13029 B12R1.374 Cc1ccc(O)c(CCC=O)c1 Amb24527959 [0,2,0,0,0,0|0,0,2]=4 13030 B12R1.374 Cc1ccc(O)c(CCCBr)c1 Amb24558916 [0,2,0,0,0,0|1,0,0]=3 13031 B12R1.374 Cc1ccc(O)c(CCCCl)c1 Amb27200457 [0,2,0,0,0,0|1,0,0]=3 13032 B12R1.374 Cc1ccc(O)c(CCCN)c1 Amb18552860 [0,2,0,0,0,0|1,0,0]=3 13033 B12R1.374 Cc1ccc(O)c(CCCO)c1 Amb18646539 [0,2,0,0,0,0|0,0,0]=2 13034 B12R1.374 Cc1ccc(O)c(CCCS)c1 Amb33269437 [0,2,0,0,0,0|0,1,0]=3 13035 B12R1.374 Cc1ccc(O)c(CCON)c1 Amb33268997 [0,2,0,0,0,0|2,0,0]=4 13036 B12R1.374 Cc1ccc(O)c(NCCO)c1 Amb27223975 [0,2,0,0,0,0|1,0,0]=3 13037 B12R1.374 Cc1ccc(O)c(OCCN)c1 Amb33267916 [0,2,0,0,0,0|2,0,0]=4 13038 B12R1.374 Cc1ccc(O)c(SCCO)n1 Amb18649166 [0,2,0,0,0,0|2,0,0]=4 13039 B12R1.374 Cc1ccc(O)c(\C=C\CO)c1 Amb18646066 [0,2,0,0,0,0|0,0,2]=4 13040 B12R1.374 Cc1ccc(O)cc1CCC#N Amb27438025 [0,2,0,0,0,0|1,0,1]=4 13041 B12R1.374 Cc1ccc(O)cc1CCCBr Amb28326332 [0,2,0,0,0,0|1,0,0]=3 13042 B12R1.374 Cc1ccc(O)cc1CCCCl Amb27965623 [0,2,0,0,0,0|1,0,0]=3 13043 B12R1.374 Cc1ccc(O)cc1CCCN Amb25777725 [0,2,0,0,0,0|1,0,0]=3 13044 B12R1.374 Cc1ccc(S)c(CCC#N)c1 Amb27209134 [0,2,0,0,0,0|1,0,1]=4 13045 B12R1.374 Cc1ccc(S)c(CCCBr)c1 Amb27624764 [0,2,0,0,0,0|1,0,0]=3 13046 B12R1.374 Cc1ccc(S)c(CCCCl)c1 Amb27246556 [0,2,0,0,0,0|1,0,0]=3 13047 B12R1.374 Cc1ccc(S)cc1CCCBr Amb25920102 [0,2,0,0,0,0|1,0,0]=3 13048 B12R1.374 Cc1ccc(S)cc1CCCCl Amb24610834 [0,2,0,0,0,0|1,0,0]=3 13049 B12R1.374 Cc1cnc(Cl)c(CCCN)c1 Amb27171234 [0,2,0,0,0,0|2,0,0]=4 13050 B12R1.374 Cc1cnc(F)cc1CCCN Amb27411263 [0,2,0,0,0,0|2,0,0]=4 13051 B12R1.374 Cc1cnc(N)c(CCCCl)c1 Amb27780110 [0,2,0,0,0,0|2,0,0]=4 13052 B12R1.374 Cc1cnc(N)c(CCCN)c1 Amb27972764 [0,2,0,0,0,0|2,0,0]=4 13053 B12R1.374 ClCCCc1cc(Br)ccc1Br Amb26938883 [0,2,0,0,0,0|1,0,0]=3 13054 B12R1.374 ClCCCc1cc(Br)ccc1Cl Amb27442173 [0,2,0,0,0,0|1,0,0]=3 13055 B12R1.374 ClCCCc1cc(Cl)ccc1Br Amb25714131 [0,2,0,0,0,0|1,0,0]=3 13056 B12R1.374 ClCCCc1cc(Cl)ccc1Cl Amb26079912 [0,2,0,0,0,0|1,0,0]=3 13057 B12R1.374 ClCCCc1cc(Cl)ccc1I Amb26617928 [0,2,0,0,0,0|1,0,0]=3 13058 B12R1.374 ClCCCc1cc(I)ccc1Br Amb26532857 [0,2,0,0,0,0|1,0,0]=3 13059 B12R1.374 ClCCNc1cc(Cl)ccc1Cl Amb17343164 [0,2,0,0,0,0|2,0,0]=4 13060 B12R1.374 ClCCOc1cc(Cl)ccc1Cl Amb8828413 [0,2,0,0,0,0|2,0,0]=4 13061 B12R1.374 ClCCSc1cc(Cl)ccc1Cl Amb434067 [0,2,0,0,0,0|2,0,0]=4 13062 B12R1.374 Clc1cc(CCCBr)c(Cl)cn1 Amb33336817 [0,2,0,0,0,0|2,0,0]=4 13063 B12R1.374 Clc1ccc(Br)c(CCCBr)c1 Amb25984343 [0,2,0,0,0,0|1,0,0]=3 13064 B12R1.374 Clc1ccc(Br)cc1CCCBr Amb27633998 [0,2,0,0,0,0|1,0,0]=3 13065 B12R1.374 Clc1ccc(Cl)c(CCCBr)c1 Amb26926828 [0,2,0,0,0,0|1,0,0]=3 13066 B12R1.374 Clc1ccc(Cl)c(OCCBr)c1 Amb1106064 [0,2,0,0,0,0|2,0,0]=4 13067 B12R1.374 Clc1ccc(I)c(CCCBr)c1 Amb26896800 [0,2,0,0,0,0|1,0,0]=3 13068 B12R1.374 FCCNc1cc(Br)ccc1I Amb27791394 [0,2,0,0,0,0|2,0,0]=4 13069 B12R1.374 FCCNc1cc(Cl)ccc1F Amb27477495 [0,2,0,0,0,0|2,0,0]=4 13070 B12R1.374 FCCNc1cc(Cl)ccc1I Amb35706566 [0,2,0,0,0,0|2,0,0]=4 13071 B12R1.374 FCCNc1cc(F)ccc1Br Amb27662624 [0,2,0,0,0,0|2,0,0]=4 13072 B12R1.374 FCCNc1cc(I)ccc1Br Amb28119464 [0,2,0,0,0,0|2,0,0]=4 13073 B12R1.374 FCCNc1cc(I)ccc1Cl Amb27666460 [0,2,0,0,0,0|2,0,0]=4 13074 B12R1.374 FCCOc1cc(Br)ccc1F Amb28127586 [0,2,0,0,0,0|2,0,0]=4 13075 B12R1.374 FCCOc1cc(Cl)ccc1Cl Amb27177428 [0,2,0,0,0,0|2,0,0]=4 13076 B12R1.374 FCCOc1cc(Cl)ccc1F Amb27756033 [0,2,0,0,0,0|2,0,0]=4 13077 B12R1.374 FCCOc1cc(F)ccc1Br Amb27753288 [0,2,0,0,0,0|2,0,0]=4 13078 B12R1.374 FCCOc1cc(F)ccc1F Amb28345100 [0,2,0,0,0,0|2,0,0]=4 13079 B12R1.374 Fc1ccc(Br)c(CCCBr)c1 Amb26840983 [0,2,0,0,0,0|1,0,0]=3 13080 B12R1.374 Fc1ccc(Br)c(CCCCl)c1 Amb24341770 [0,2,0,0,0,0|1,0,0]=3 13081 B12R1.374 Fc1ccc(Br)c(CCCS)c1 Amb33008797 [0,2,0,0,0,0|0,1,0]=3 13082 B12R1.374 Fc1ccc(Br)cc1CCCBr Amb25204237 [0,2,0,0,0,0|1,0,0]=3 13083 B12R1.374 Fc1ccc(Br)cc1CCCCl Amb28069965 [0,2,0,0,0,0|1,0,0]=3 13084 B12R1.374 Fc1ccc(Br)cc1CCCS Amb25778866 [0,2,0,0,0,0|0,1,0]=3 13085 B12R1.374 Fc1ccc(Br)cc1OCCCl Amb28321297 [0,2,0,0,0,0|2,0,0]=4 13086 B12R1.374 Fc1ccc(Cl)c(CCCBr)c1 Amb26410622 [0,2,0,0,0,0|1,0,0]=3 13087 B12R1.374 Fc1ccc(Cl)c(CCCCl)c1 Amb25796501 [0,2,0,0,0,0|1,0,0]=3 13088 B12R1.374 Fc1ccc(Cl)c(CCCS)c1 Amb33059181 [0,2,0,0,0,0|0,1,0]=3 13089 B12R1.374 Fc1ccc(Cl)c(OCCCl)c1 Amb27454503 [0,2,0,0,0,0|2,0,0]=4 13090 B12R1.374 Fc1ccc(Cl)cc1CCCBr Amb24441885 [0,2,0,0,0,0|1,0,0]=3 13091 B12R1.374 Fc1ccc(Cl)cc1CCCCl Amb26607500 [0,2,0,0,0,0|1,0,0]=3 13092 B12R1.374 Fc1ccc(Cl)cc1CCCS Amb28205387 [0,2,0,0,0,0|0,1,0]=3 13093 B12R1.374 Fc1ccc(F)c(CCCBr)c1 Amb24439123 [0,2,0,0,0,0|1,0,0]=3 13094 B12R1.374 Fc1ccc(F)c(CCCCl)c1 Amb19073201 [0,2,0,0,0,0|1,0,0]=3 13095 B12R1.374 Fc1ccc(F)c(CCCS)c1 Amb26035320 [0,2,0,0,0,0|0,1,0]=3 13096 B12R1.374 Fc1ccc(F)c(OCCBr)c1 Amb24483410 [0,2,0,0,0,0|2,0,0]=4 13097 B12R1.374 Fc1ccc(F)c(OCCS)c1 Amb27834968 [0,2,0,0,0,0|1,1,0]=4 13098 B12R1.374 Fc1ccc(F)c(SCCS)c1 Amb27594601 [0,2,0,0,0,0|1,1,0]=4 13099 B12R1.374 Fc1ccc(I)c(CCCBr)c1 Amb27439355 [0,2,0,0,0,0|1,0,0]=3 13100 B12R1.374 Fc1ccc(I)cc1CCCCl Amb27800287 [0,2,0,0,0,0|1,0,0]=3 13101 B12R1.374 Fc1ccc(S)cc1CCCBr Amb27263039 [0,2,0,0,0,0|1,0,0]=3 13102 B12R1.374 Fc1ccc(S)cc1CCCCl Amb27622872 [0,2,0,0,0,0|1,0,0]=3 13103 B12R1.374 Fc1cnc(Cl)c(CCCBr)c1 Amb33432350 [0,2,0,0,0,0|2,0,0]=4 13104 B12R1.374 Fc1ncc(Br)cc1CCCS Amb33478571 [0,2,0,0,0,0|1,1,0]=4 13105 B12R1.374 Fc1ncc(Cl)cc1CCCBr Amb33334249 [0,2,0,0,0,0|2,0,0]=4 13106 B12R1.374 Fc1ncc(Cl)cc1CCCS Amb33257913 [0,2,0,0,0,0|1,1,0]=4 13107 B12R1.374 N#CCCc1cc(Br)ccc1Br Amb25248926 [0,2,0,0,0,0|1,0,1]=4 13108 B12R1.374 N#CCCc1cc(Br)ccc1Cl Amb28323418 [0,2,0,0,0,0|1,0,1]=4 13109 B12R1.374 N#CCCc1cc(Br)ccc1O Amb26628165 [0,2,0,0,0,0|1,0,1]=4 13110 B12R1.374 N#CCCc1cc(Br)ccc1S Amb27613915 [0,2,0,0,0,0|1,0,1]=4 13111 B12R1.374 N#CCCc1cc(Cl)ccc1Br Amb26376281 [0,2,0,0,0,0|1,0,1]=4 13112 B12R1.374 N#CCCc1cc(Cl)ccc1Cl Amb17204386 [0,2,0,0,0,0|1,0,1]=4 13113 B12R1.374 N#CCCc1cc(Cl)ccc1F Amb18863064 [0,2,0,0,0,0|1,0,1]=4 13114 B12R1.374 N#CCCc1cc(Cl)ccc1O Amb24679559 [0,2,0,0,0,0|1,0,1]=4 13115 B12R1.374 N#CCCc1cc(F)ccc1Br Amb26040484 [0,2,0,0,0,0|1,0,1]=4 13116 B12R1.374 N#CCCc1cc(F)ccc1Cl Amb26867212 [0,2,0,0,0,0|1,0,1]=4 13117 B12R1.374 N#CCCc1cc(F)ccc1F Amb18798745 [0,2,0,0,0,0|1,0,1]=4 13118 B12R1.374 N#CCCc1cc(F)ccc1O Amb27624792 [0,2,0,0,0,0|1,0,1]=4 13119 B12R1.374 N#CCCc1cc(I)ccc1Cl Amb27795075 [0,2,0,0,0,0|1,0,1]=4 13120 B12R1.374 N#CCCc1cc(I)ccc1I Amb27877058 [0,2,0,0,0,0|1,0,1]=4 13121 B12R1.374 N#CCCc1cc(I)ccc1O Amb27204224 [0,2,0,0,0,0|1,0,1]=4 13122 B12R1.374 N#CCCc1cc(N)ccc1F Amb27789045 [0,2,0,0,0,0|1,0,1]=4 13123 B12R1.374 N#CCCc1cc(O)ccc1Br Amb24586510 [0,2,0,0,0,0|1,0,1]=4 13124 B12R1.374 N#CCCc1cc(O)ccc1Cl Amb27966238 [0,2,0,0,0,0|1,0,1]=4 13125 B12R1.374 N#CCCc1cc(O)ccc1O Amb27616210 [0,2,0,0,0,0|1,0,1]=4 13126 B12R1.374 N#CCCc1cc(O)ccc1S Amb27967558 [0,2,0,0,0,0|1,0,1]=4 13127 B12R1.374 N#CCCc1cc(S)ccc1Br Amb27200765 [0,2,0,0,0,0|1,0,1]=4 13128 B12R1.374 N#CCCc1cc(S)ccc1I Amb27423730 [0,2,0,0,0,0|1,0,1]=4 13129 B12R1.374 N#CCCc1cc(S)ccc1N Amb27616054 [0,2,0,0,0,0|1,0,1]=4 13130 B12R1.374 NC1=CN(CCCF)C(=O)C=C1 Amb25342827 [0,2,0,0,0,0|2,0,0]=4 13131 B12R1.374 NC1=CN(CCCO)C(=O)C=C1 Amb18535272 [0,2,0,0,0,0|1,0,0]=3 13132 B12R1.374 NCCCN1C=C(Br)C=CC1=O Amb18535492 [0,2,0,0,0,0|2,0,0]=4 13133 B12R1.374 NCCCN1C=C(Br)C=CC1=O Amb19514408 [0,2,0,0,0,0|2,0,0]=4 13134 B12R1.374 NCCCN1C=C(Cl)C=CC1=O Amb17992862 [0,2,0,0,0,0|2,0,0]=4 13135 B12R1.374 NCCCN1C=C(F)C=CC1=O Amb18040598 [0,2,0,0,0,0|2,0,0]=4 13136 B12R1.374 NCCCc1cc(Br)ccc1Cl Amb25036212 [0,2,0,0,0,0|1,0,0]=3 13137 B12R1.374 NCCCc1cc(Br)ccc1F Amb9304922 [0,2,0,0,0,0|1,0,0]=3 13138 B12R1.374 NCCCc1cc(Br)ccc1N Amb27208273 [0,2,0,0,0,0|1,0,0]=3 13139 B12R1.374 NCCCc1cc(Br)ccc1O Amb26608950 [0,2,0,0,0,0|1,0,0]=3 13140 B12R1.374 NCCCc1cc(Br)cnc1Cl Amb33009423 [0,2,0,0,0,0|2,0,0]=4 13141 B12R1.374 NCCCc1cc(Br)cnc1F Amb33477688 [0,2,0,0,0,0|2,0,0]=4 13142 B12R1.374 NCCCc1cc(Cl)ccc1Br Amb25150112 [0,2,0,0,0,0|1,0,0]=3 13143 B12R1.374 NCCCc1cc(Cl)ccc1Cl Amb17204405 [0,2,0,0,0,0|1,0,0]=3 13144 B12R1.374 NCCCc1cc(Cl)ccc1F Amb18863289 [0,2,0,0,0,0|1,0,0]=3 13145 B12R1.374 NCCCc1cc(Cl)ccc1I Amb30015437 [0,2,0,0,0,0|1,0,0]=3 13146 B12R1.374 NCCCc1cc(Cl)ccc1N Amb25177280 [0,2,0,0,0,0|1,0,0]=3 13147 B12R1.374 NCCCc1cc(Cl)ccc1O Amb18909512 [0,2,0,0,0,0|1,0,0]=3 13148 B12R1.374 NCCCc1cc(Cl)cnc1F Amb33257168 [0,2,0,0,0,0|2,0,0]=4 13149 B12R1.374 NCCCc1cc(Cl)ncc1Br Amb33477787 [0,2,0,0,0,0|2,0,0]=4 13150 B12R1.374 NCCCc1cc(F)ccc1Br Amb9304908 [0,2,0,0,0,0|1,0,0]=3 13151 B12R1.374 NCCCc1cc(F)ccc1Cl Amb18821281 [0,2,0,0,0,0|1,0,0]=3 13152 B12R1.374 NCCCc1cc(F)ccc1F Amb18980797 [0,2,0,0,0,0|1,0,0]=3 13153 B12R1.374 NCCCc1cc(F)ccc1O Amb18556316 [0,2,0,0,0,0|1,0,0]=3 13154 B12R1.374 NCCCc1cc(F)cnc1Cl Amb28074226 [0,2,0,0,0,0|2,0,0]=4 13155 B12R1.374 NCCCc1cc(N)ccc1F Amb27201935 [0,2,0,0,0,0|1,0,0]=3 13156 B12R1.374 NCCCc1cc(O)ccc1Br Amb24537692 [0,2,0,0,0,0|1,0,0]=3 13157 B12R1.374 NCCCc1cc(O)ccc1Cl Amb25682654 [0,2,0,0,0,0|1,0,0]=3 13158 B12R1.374 NCCCc1cc(O)ccc1F Amb27808605 [0,2,0,0,0,0|1,0,0]=3 13159 B12R1.374 NCCCc1cc(O)ccc1O Amb26505313 [0,2,0,0,0,0|1,0,0]=3 13160 B12R1.374 NCCNc1cc(Br)ccc1F Amb24732633 [0,2,0,0,0,0|2,0,0]=4 13161 B12R1.374 NCCNc1cc(Br)ccc1N Amb27478399 [0,2,0,0,0,0|2,0,0]=4 13162 B12R1.374 NCCNc1cc(Cl)ccc1Cl Amb17091082 [0,2,0,0,0,0|2,0,0]=4 13163 B12R1.374 NCCNc1cc(Cl)ccc1F Amb18243910 [0,2,0,0,0,0|2,0,0]=4 13164 B12R1.374 NCCNc1cc(Cl)ccc1I Amb30016030 [0,2,0,0,0,0|2,0,0]=4 13165 B12R1.374 NCCNc1cc(F)ccc1F Amb18997936 [0,2,0,0,0,0|2,0,0]=4 13166 B12R1.374 NCCOc1cc(Br)ccc1Cl Amb26373500 [0,2,0,0,0,0|2,0,0]=4 13167 B12R1.374 NCCOc1cc(Br)ccc1F Amb28253153 [0,2,0,0,0,0|2,0,0]=4 13168 B12R1.374 NCCOc1cc(Br)ccc1O Amb33333604 [0,2,0,0,0,0|2,0,0]=4 13169 B12R1.374 NCCOc1cc(Cl)ccc1Br Amb25896544 [0,2,0,0,0,0|2,0,0]=4 13170 B12R1.374 NCCOc1cc(Cl)ccc1Cl Amb2446347 [0,2,0,0,0,0|2,0,0]=4 13171 B12R1.374 NCCOc1cc(Cl)ccc1F Amb18243938 [0,2,0,0,0,0|2,0,0]=4 13172 B12R1.374 NCCOc1cc(Cl)ccc1O Amb33261274 [0,2,0,0,0,0|2,0,0]=4 13173 B12R1.374 NCCOc1cc(F)ccc1Br Amb25106321 [0,2,0,0,0,0|2,0,0]=4 13174 B12R1.374 NCCOc1cc(F)ccc1Cl Amb26654322 [0,2,0,0,0,0|2,0,0]=4 13175 B12R1.374 NCCOc1cc(F)ccc1F Amb18243555 [0,2,0,0,0,0|2,0,0]=4 13176 B12R1.374 NCCOc1cc(F)ccc1O Amb33379489 [0,2,0,0,0,0|2,0,0]=4 13177 B12R1.374 NCCOc1cc(O)ccc1Br Amb33387323 [0,2,0,0,0,0|2,0,0]=4 13178 B12R1.374 NCCOc1cc(O)ccc1F Amb27208594 [0,2,0,0,0,0|2,0,0]=4 13179 B12R1.374 NCCOc1cc(O)ccc1O Amb33268161 [0,2,0,0,0,0|2,0,0]=4 13180 B12R1.374 NNCCc1cc(Cl)ccc1Cl Amb27474442 [0,2,0,0,0,0|2,0,0]=4 13181 B12R1.374 NNCCc1cc(Cl)ccc1I Amb35697577 [0,2,0,0,0,0|2,0,0]=4 13182 B12R1.374 NNCCc1cc(F)ccc1F Amb27168823 [0,2,0,0,0,0|2,0,0]=4 13183 B12R1.374 NOCCc1cc(Br)ccc1Cl Amb33450482 [0,2,0,0,0,0|2,0,0]=4 13184 B12R1.374 NOCCc1cc(Br)ccc1F Amb25159910 [0,2,0,0,0,0|2,0,0]=4 13185 B12R1.374 NOCCc1cc(Br)ccc1O Amb33333246 [0,2,0,0,0,0|2,0,0]=4 13186 B12R1.374 NOCCc1cc(Cl)ccc1Br Amb33478241 [0,2,0,0,0,0|2,0,0]=4 13187 B12R1.374 NOCCc1cc(Cl)ccc1F Amb26991450 [0,2,0,0,0,0|2,0,0]=4 13188 B12R1.374 NOCCc1cc(Cl)ccc1O Amb33052626 [0,2,0,0,0,0|2,0,0]=4 13189 B12R1.374 NOCCc1cc(F)ccc1Br Amb33008573 [0,2,0,0,0,0|2,0,0]=4 13190 B12R1.374 NOCCc1cc(F)ccc1F Amb32875161 [0,2,0,0,0,0|2,0,0]=4 13191 B12R1.374 NOCCc1cc(F)ccc1O Amb33379927 [0,2,0,0,0,0|2,0,0]=4 13192 B12R1.374 NOCCc1cc(O)ccc1Br Amb33450362 [0,2,0,0,0,0|2,0,0]=4 13193 B12R1.374 NOCCc1cc(O)ccc1O Amb33268916 [0,2,0,0,0,0|2,0,0]=4 13194 B12R1.374 Nc1cc(NCCO)c(Br)cn1 Amb27190429 [0,2,0,0,0,0|2,0,0]=4 13195 B12R1.374 Nc1ccc(Br)c(CCCBr)c1 Amb24541058 [0,2,0,0,0,0|1,0,0]=3 13196 B12R1.374 Nc1ccc(Br)c(OCCF)c1 Amb26326461 [0,2,0,0,0,0|2,0,0]=4 13197 B12R1.374 Nc1ccc(Br)cc1CCCBr Amb26398043 [0,2,0,0,0,0|1,0,0]=3 13198 B12R1.374 Nc1ccc(Br)cc1CCCCl Amb26398045 [0,2,0,0,0,0|1,0,0]=3 13199 B12R1.374 Nc1ccc(Br)cc1NCCO Amb26880088 [0,2,0,0,0,0|1,0,0]=3 13200 B12R1.374 Nc1ccc(Br)cc1OCCF Amb32939658 [0,2,0,0,0,0|2,0,0]=4 13201 B12R1.374 Nc1ccc(Br)cc1OCCO Amb28186664 [0,2,0,0,0,0|1,0,0]=3 13202 B12R1.374 Nc1ccc(Cl)c(CCCCl)c1 Amb27966176 [0,2,0,0,0,0|1,0,0]=3 13203 B12R1.374 Nc1ccc(Cl)c(OCCF)c1 Amb25844731 [0,2,0,0,0,0|2,0,0]=4 13204 B12R1.374 Nc1ccc(Cl)c(SCCO)c1 Amb27827553 [0,2,0,0,0,0|1,0,0]=3 13205 B12R1.374 Nc1ccc(Cl)cc1CCCBr Amb27971067 [0,2,0,0,0,0|1,0,0]=3 13206 B12R1.374 Nc1ccc(Cl)cc1CCCO Amb27455752 [0,2,0,0,0,0|0,0,0]=2 13207 B12R1.374 Nc1ccc(Cl)cc1OCCF Amb24579905 [0,2,0,0,0,0|2,0,0]=4 13208 B12R1.374 Nc1ccc(Cl)cc1OCCO Amb18990920 [0,2,0,0,0,0|1,0,0]=3 13209 B12R1.374 Nc1ccc(Cl)nc1NCCO Amb28046885 [0,2,0,0,0,0|2,0,0]=4 13210 B12R1.374 Nc1ccc(Cl)nc1OCCO Amb26949190 [0,2,0,0,0,0|2,0,0]=4 13211 B12R1.374 Nc1ccc(Cl)nc1SCCO Amb27817489 [0,2,0,0,0,0|2,0,0]=4 13212 B12R1.374 Nc1ccc(F)c(CCC=O)c1 Amb27614027 [0,2,0,0,0,0|0,0,2]=4 13213 B12R1.374 Nc1ccc(F)c(CCCBr)c1 Amb27614019 [0,2,0,0,0,0|1,0,0]=3 13214 B12R1.374 Nc1ccc(F)cc1CCC=O Amb27614026 [0,2,0,0,0,0|0,0,2]=4 13215 B12R1.374 Nc1ccc(F)cc1CCCBr Amb28286555 [0,2,0,0,0,0|1,0,0]=3 13216 B12R1.374 Nc1ccc(F)cc1CCCCl Amb27614023 [0,2,0,0,0,0|1,0,0]=3 13217 B12R1.374 Nc1ccc(F)cc1NCCF Amb27426829 [0,2,0,0,0,0|2,0,0]=4 13218 B12R1.374 Nc1ccc(F)cc1OCCF Amb25886660 [0,2,0,0,0,0|2,0,0]=4 13219 B12R1.374 Nc1ccc(F)cc1OCCO Amb6702381 [0,2,0,0,0,0|1,0,0]=3 13220 B12R1.374 Nc1ccc(F)cc1SCCO Amb18989905 [0,2,0,0,0,0|1,0,0]=3 13221 B12R1.374 Nc1ccc(I)cc1CCCCl Amb27209116 [0,2,0,0,0,0|1,0,0]=3 13222 B12R1.374 Nc1ccc(N)c(SCCO)c1 Amb27463144 [0,2,0,0,0,0|1,0,0]=3 13223 B12R1.374 Nc1ccc(O)c(CCC=O)c1 Amb28129930 [0,2,0,0,0,0|0,0,2]=4 13224 B12R1.374 Nc1ccc(O)c(CCCBr)c1 Amb27616173 [0,2,0,0,0,0|1,0,0]=3 13225 B12R1.374 Nc1ccc(O)c(CCCCl)c1 Amb27209802 [0,2,0,0,0,0|1,0,0]=3 13226 B12R1.374 Nc1ccc(O)cc1CCCCl Amb28196575 [0,2,0,0,0,0|1,0,0]=3 13227 B12R1.374 Nc1ccc(O)cc1CCCO Amb27411950 [0,2,0,0,0,0|0,0,0]=2 13228 B12R1.374 Nc1ccc(O)cc1OCCF Amb32939657 [0,2,0,0,0,0|2,0,0]=4 13229 B12R1.374 Nc1ccc(O)cc1SCCS Amb28072974 [0,2,0,0,0,0|1,1,0]=4 13230 B12R1.374 Nc1ccc(S)c(CCC=O)c1 Amb27777371 [0,2,0,0,0,0|0,0,2]=4 13231 B12R1.374 Nc1ccc(S)c(CCCCl)c1 Amb27445215 [0,2,0,0,0,0|1,0,0]=3 13232 B12R1.374 Nc1ccc(S)cc1CCCBr Amb28196004 [0,2,0,0,0,0|1,0,0]=3 13233 B12R1.374 Nc1ccc(S)cc1CCCCl Amb27616194 [0,2,0,0,0,0|1,0,0]=3 13234 B12R1.374 Nc1ncc(Cl)cc1CCCCl Amb28430409 [0,2,0,0,0,0|2,0,0]=4 13235 B12R1.374 Nc1ncc(F)cc1CCCO Amb13889726 [0,2,0,0,0,0|1,0,0]=3 13236 B12R1.374 Nc1ncc(I)cc1CCCO Amb13890001 [0,2,0,0,0,0|1,0,0]=3 13237 B12R1.374 O=C1C=CC(=O)C(CCCO)=C1 Amb27177915 [0,2,0,0,0,0|0,0,0]=2 13238 B12R1.374 O=C1C=CC(=O)C(NCCO)=C1 Amb27230328 [0,2,0,0,0,0|1,0,0]=3 13239 B12R1.374 O=C1C=CC(=O)N(CCCO)N1 Amb18789172 [0,2,0,0,0,0|2,0,0]=4 13240 B12R1.374 O=C1C=CC(Br)=CN1CCCF Amb28385370 [0,2,0,0,0,0|2,0,0]=4 13241 B12R1.374 O=C1C=CC(F)=CN1CCCCl Amb27858640 [0,2,0,0,0,0|2,0,0]=4 13242 B12R1.374 O=C1C=CC(F)=CN1CCCF Amb28047926 [0,2,0,0,0,0|2,0,0]=4 13243 B12R1.374 O=C1C=CC(F)=CN1CCCS Amb28196884 [0,2,0,0,0,0|1,1,0]=4 13244 B12R1.374 O=C1C=CC(I)=CN1CCCF Amb27770630 [0,2,0,0,0,0|2,0,0]=4 13245 B12R1.374 O=CCCc1cc(Br)ccc1Br Amb26904631 [0,2,0,0,0,0|0,0,2]=4 13246 B12R1.374 O=CCCc1cc(Br)ccc1Cl Amb24093048 [0,2,0,0,0,0|0,0,2]=4 13247 B12R1.374 O=CCCc1cc(Br)ccc1F Amb27460881 [0,2,0,0,0,0|0,0,2]=4 13248 B12R1.374 O=CCCc1cc(Br)ccc1O Amb26009876 [0,2,0,0,0,0|0,0,2]=4 13249 B12R1.374 O=CCCc1cc(Cl)ccc1Br Amb25669683 [0,2,0,0,0,0|0,0,2]=4 13250 B12R1.374 O=CCCc1cc(Cl)ccc1Cl Amb10606178 [0,2,0,0,0,0|0,0,2]=4 13251 B12R1.374 O=CCCc1cc(Cl)ccc1F Amb25336451 [0,2,0,0,0,0|0,0,2]=4 13252 B12R1.374 O=CCCc1cc(Cl)ccc1I Amb25941284 [0,2,0,0,0,0|0,0,2]=4 13253 B12R1.374 O=CCCc1cc(Cl)ccc1O Amb27148868 [0,2,0,0,0,0|0,0,2]=4 13254 B12R1.374 O=CCCc1cc(F)ccc1Br Amb20669022 [0,2,0,0,0,0|0,0,2]=4 13255 B12R1.374 O=CCCc1cc(F)ccc1Cl Amb25968941 [0,2,0,0,0,0|0,0,2]=4 13256 B12R1.374 O=CCCc1cc(F)ccc1F Amb18801724 [0,2,0,0,0,0|0,0,2]=4 13257 B12R1.374 O=CCCc1cc(F)ccc1I Amb25302517 [0,2,0,0,0,0|0,0,2]=4 13258 B12R1.374 O=CCCc1cc(F)ccc1O Amb24432683 [0,2,0,0,0,0|0,0,2]=4 13259 B12R1.374 O=CCCc1cc(F)ccc1S Amb27423576 [0,2,0,0,0,0|0,0,2]=4 13260 B12R1.374 O=CCCc1cc(I)ccc1Cl Amb27876661 [0,2,0,0,0,0|0,0,2]=4 13261 B12R1.374 O=CCCc1cc(I)ccc1F Amb27978680 [0,2,0,0,0,0|0,0,2]=4 13262 B12R1.374 O=CCCc1cc(I)ccc1O Amb27638722 [0,2,0,0,0,0|0,0,2]=4 13263 B12R1.374 O=CCCc1cc(I)ccc1S Amb27423735 [0,2,0,0,0,0|0,0,2]=4 13264 B12R1.374 O=CCCc1cc(O)ccc1Br Amb25311997 [0,2,0,0,0,0|0,0,2]=4 13265 B12R1.374 O=CCCc1cc(O)ccc1Cl Amb26846620 [0,2,0,0,0,0|0,0,2]=4 13266 B12R1.374 O=CCCc1cc(O)ccc1F Amb26879965 [0,2,0,0,0,0|0,0,2]=4 13267 B12R1.374 O=CCCc1cc(O)ccc1I Amb27604868 [0,2,0,0,0,0|0,0,2]=4 13268 B12R1.374 O=CCCc1cc(O)ccc1O Amb27962672 [0,2,0,0,0,0|0,0,2]=4 13269 B12R1.374 O=CCCc1cc(S)ccc1Cl Amb27428155 [0,2,0,0,0,0|0,0,2]=4 13270 B12R1.374 O=CCCc1cc(S)ccc1O Amb27423589 [0,2,0,0,0,0|0,0,2]=4 13271 B12R1.374 O=c1ccc(Br)cn1CCCCl Amb6242388 [0,2,0,0,0,0|2,0,0]=4 13272 B12R1.374 OCC#Cc1cc(Cl)ccc1Cl Amb9777290 [0,2,0,0,0,0|0,0,2]=4 13273 B12R1.374 OCCCc1cc(Br)ccc1Cl Amb33386703 [0,2,0,0,0,0|0,0,0]=2 13274 B12R1.374 OCCCc1cc(Br)ccc1F Amb25669437 [0,2,0,0,0,0|0,0,0]=2 13275 B12R1.374 OCCCc1cc(Br)ccc1O Amb25931046 [0,2,0,0,0,0|0,0,0]=2 13276 B12R1.374 OCCCc1cc(Br)cnc1Cl Amb33007785 [0,2,0,0,0,0|1,0,0]=3 13277 B12R1.374 OCCCc1cc(Br)cnc1F Amb33478525 [0,2,0,0,0,0|1,0,0]=3 13278 B12R1.374 OCCCc1cc(Cl)ccc1Br Amb26497942 [0,2,0,0,0,0|0,0,0]=2 13279 B12R1.374 OCCCc1cc(Cl)ccc1Cl Amb26852629 [0,2,0,0,0,0|0,0,0]=2 13280 B12R1.374 OCCCc1cc(Cl)ccc1F Amb18863273 [0,2,0,0,0,0|0,0,0]=2 13281 B12R1.374 OCCCc1cc(Cl)ccc1I Amb32945190 [0,2,0,0,0,0|0,0,0]=2 13282 B12R1.374 OCCCc1cc(Cl)ccc1O Amb25762478 [0,2,0,0,0,0|0,0,0]=2 13283 B12R1.374 OCCCc1cc(Cl)cnc1F Amb33257899 [0,2,0,0,0,0|1,0,0]=3 13284 B12R1.374 OCCCc1cc(Cl)ncc1Br Amb33478191 [0,2,0,0,0,0|1,0,0]=3 13285 B12R1.374 OCCCc1cc(Cl)nnc1Cl Amb33258475 [0,2,0,0,0,0|2,0,0]=4 13286 B12R1.374 OCCCc1cc(F)ccc1Br Amb26373423 [0,2,0,0,0,0|0,0,0]=2 13287 B12R1.374 OCCCc1cc(F)ccc1Cl Amb25271650 [0,2,0,0,0,0|0,0,0]=2 13288 B12R1.374 OCCCc1cc(F)ccc1F Amb17605791 [0,2,0,0,0,0|0,0,0]=2 13289 B12R1.374 OCCCc1cc(F)ccc1O Amb24377655 [0,2,0,0,0,0|0,0,0]=2 13290 B12R1.374 OCCCc1cc(F)cnc1Cl Amb13889729 [0,2,0,0,0,0|1,0,0]=3 13291 B12R1.374 OCCCc1cc(F)cnc1O Amb13889728 [0,2,0,0,0,0|1,0,0]=3 13292 B12R1.374 OCCCc1cc(I)ccc1F Amb27463082 [0,2,0,0,0,0|0,0,0]=2 13293 B12R1.374 OCCCc1cc(O)ccc1Br Amb33386709 [0,2,0,0,0,0|0,0,0]=2 13294 B12R1.374 OCCCc1cc(O)ccc1O Amb26347304 [0,2,0,0,0,0|0,0,0]=2 13295 B12R1.374 OCCNc1cc(Cl)ccc1Cl Amb6707812 [0,2,0,0,0,0|1,0,0]=3 13296 B12R1.374 OCCNc1cc(Cl)ccc1I Amb35706945 [0,2,0,0,0,0|1,0,0]=3 13297 B12R1.374 OCCNc1cc(Cl)ncc1Cl Amb32669175 [0,2,0,0,0,0|2,0,0]=4 13298 B12R1.374 OCCNc1cc(F)ccc1Br Amb27175199 [0,2,0,0,0,0|1,0,0]=3 13299 B12R1.374 OCCNc1cc(F)ccc1F Amb6709873 [0,2,0,0,0,0|1,0,0]=3 13300 B12R1.374 OCCNc1nc(Cl)ccc1Cl Amb27178608 [0,2,0,0,0,0|2,0,0]=4 13301 B12R1.374 OCCOc1cc(Br)ccc1Br Amb23412184 [0,2,0,0,0,0|1,0,0]=3 13302 B12R1.374 OCCOc1cc(Br)ccc1Cl Amb28042623 [0,2,0,0,0,0|1,0,0]=3 13303 B12R1.374 OCCOc1cc(Br)ccc1F Amb24271232 [0,2,0,0,0,0|1,0,0]=3 13304 B12R1.374 OCCOc1cc(Cl)ccc1Cl Amb9245009 [0,2,0,0,0,0|1,0,0]=3 13305 B12R1.374 OCCOc1cc(Cl)ccc1F Amb27451542 [0,2,0,0,0,0|1,0,0]=3 13306 B12R1.374 OCCSc1cc(Cl)ccc1F Amb28256513 [0,2,0,0,0,0|1,0,0]=3 13307 B12R1.374 OC\C=C\c1cc(Br)ccc1Cl Amb33451181 [0,2,0,0,0,0|0,0,2]=4 13308 B12R1.374 OC\C=C\c1cc(Br)ccc1F Amb25742275 [0,2,0,0,0,0|0,0,2]=4 13309 B12R1.374 OC\C=C\c1cc(Br)ccc1O Amb33333571 [0,2,0,0,0,0|0,0,2]=4 13310 B12R1.374 OC\C=C\c1cc(Cl)ccc1Br Amb33430058 [0,2,0,0,0,0|0,0,2]=4 13311 B12R1.374 OC\C=C\c1cc(Cl)ccc1Cl Amb23442825 [0,2,0,0,0,0|0,0,2]=4 13312 B12R1.374 OC\C=C\c1cc(Cl)ccc1F Amb28127857 [0,2,0,0,0,0|0,0,2]=4 13313 B12R1.374 OC\C=C\c1cc(Cl)ccc1O Amb18649021 [0,2,0,0,0,0|0,0,2]=4 13314 B12R1.374 OC\C=C\c1cc(F)ccc1Br Amb33430225 [0,2,0,0,0,0|0,0,2]=4 13315 B12R1.374 OC\C=C\c1cc(F)ccc1F Amb24082691 [0,2,0,0,0,0|0,0,2]=4 13316 B12R1.374 OC\C=C\c1cc(F)ccc1O Amb33379892 [0,2,0,0,0,0|0,0,2]=4 13317 B12R1.374 OC\C=C\c1cc(O)ccc1Br Amb33227874 [0,2,0,0,0,0|0,0,2]=4 13318 B12R1.374 OC\C=C\c1cc(O)ccc1O Amb33268530 [0,2,0,0,0,0|0,0,2]=4 13319 B12R1.374 Oc1ccc(Br)c(CCCBr)c1 Amb27971117 [0,2,0,0,0,0|1,0,0]=3 13320 B12R1.374 Oc1ccc(Br)c(CCCS)c1 Amb33387013 [0,2,0,0,0,0|0,1,0]=3 13321 B12R1.374 Oc1ccc(Br)cc1CCCCl Amb27638928 [0,2,0,0,0,0|1,0,0]=3 13322 B12R1.374 Oc1ccc(Br)cc1CCCS Amb33333973 [0,2,0,0,0,0|0,1,0]=3 13323 B12R1.374 Oc1ccc(Cl)cc1CCCBr Amb28286546 [0,2,0,0,0,0|1,0,0]=3 13324 B12R1.374 Oc1ccc(Cl)cc1CCCCl Amb28286547 [0,2,0,0,0,0|1,0,0]=3 13325 B12R1.374 Oc1ccc(Cl)cc1CCCS Amb33261242 [0,2,0,0,0,0|0,1,0]=3 13326 B12R1.374 Oc1ccc(F)c(CCCBr)c1 Amb27423567 [0,2,0,0,0,0|1,0,0]=3 13327 B12R1.374 Oc1ccc(F)cc1CCCBr Amb27423565 [0,2,0,0,0,0|1,0,0]=3 13328 B12R1.374 Oc1ccc(F)cc1CCCCl Amb27423571 [0,2,0,0,0,0|1,0,0]=3 13329 B12R1.374 Oc1ccc(F)cc1CCCS Amb33379205 [0,2,0,0,0,0|0,1,0]=3 13330 B12R1.374 Oc1ccc(F)cc1OCCCl Amb27974242 [0,2,0,0,0,0|2,0,0]=4 13331 B12R1.374 Oc1ccc(I)c(CCCCl)c1 Amb27263907 [0,2,0,0,0,0|1,0,0]=3 13332 B12R1.374 Oc1ccc(I)cc1CCCBr Amb27622483 [0,2,0,0,0,0|1,0,0]=3 13333 B12R1.374 Oc1ccc(O)c(CCCBr)c1 Amb26966089 [0,2,0,0,0,0|1,0,0]=3 13334 B12R1.374 Oc1ccc(O)c(CCCCl)c1 Amb27192380 [0,2,0,0,0,0|1,0,0]=3 13335 B12R1.374 Oc1ccc(O)c(CCCS)c1 Amb33268155 [0,2,0,0,0,0|0,1,0]=3 13336 B12R1.374 Oc1ccc(S)c(CCCBr)c1 Amb28323411 [0,2,0,0,0,0|1,0,0]=3 13337 B12R1.374 Oc1ccc(S)c(CCCCl)c1 Amb27796397 [0,2,0,0,0,0|1,0,0]=3 13338 B12R1.374 SCCCc1cc(Br)ccc1Cl Amb33386525 [0,2,0,0,0,0|0,1,0]=3 13339 B12R1.374 SCCCc1cc(Br)cnc1Cl Amb33007820 [0,2,0,0,0,0|1,1,0]=4 13340 B12R1.374 SCCCc1cc(Cl)ccc1Br Amb33478281 [0,2,0,0,0,0|0,1,0]=3 13341 B12R1.374 SCCCc1cc(Cl)ncc1Br Amb33478602 [0,2,0,0,0,0|1,1,0]=4 13342 B12R1.374 SCCOc1cc(Br)ccc1Cl Amb27835576 [0,2,0,0,0,0|1,1,0]=4 13343 B12R1.374 SCCOc1cc(Cl)ccc1Cl Amb17245965 [0,2,0,0,0,0|1,1,0]=4 13344 B12R1.374 Sc1ccc(Br)c(CCCBr)c1 Amb27614077 [0,2,0,0,0,0|1,0,0]=3 13345 B12R1.374 Sc1ccc(Br)c(CCCCl)c1 Amb26995163 [0,2,0,0,0,0|1,0,0]=3 13346 B12R1.374 Sc1ccc(Br)cc1CCCCl Amb25971086 [0,2,0,0,0,0|1,0,0]=3 13347 B12R1.374 Sc1ccc(Cl)cc1CCCCl Amb28435545 [0,2,0,0,0,0|1,0,0]=3 13348 B12R1.374 Sc1ccc(I)c(CCCBr)c1 Amb27423732 [0,2,0,0,0,0|1,0,0]=3 13349 B12R1.374 Sc1ccc(I)c(CCCCl)c1 Amb28368478 [0,2,0,0,0,0|1,0,0]=3 13350 B12R1.374 Sc1ccc(I)cc1CCCBr Amb27423731 [0,2,0,0,0,0|1,0,0]=3 13351 B12R1.374 Sc1ccc(I)cc1CCCCl Amb28368477 [0,2,0,0,0,0|1,0,0]=3 13352 B12R1.374 [C-]#[N+]CCc1cc(Br)ccc1Br Amb33331351 [0,2,0,0,0,0|2,0,0]=4 13353 B12R1.374 [C-]#[N+]CCc1cc(Br)ccc1C Amb33478647 [0,2,0,0,0,0|2,0,0]=4 13354 B12R1.374 [C-]#[N+]CCc1cc(Br)ccc1Cl Amb33450214 [0,2,0,0,0,0|2,0,0]=4 13355 B12R1.374 [C-]#[N+]CCc1cc(Br)ccc1F Amb33478724 [0,2,0,0,0,0|2,0,0]=4 13356 B12R1.374 [C-]#[N+]CCc1cc(C)ccc1Br Amb33477504 [0,2,0,0,0,0|2,0,0]=4 13357 B12R1.374 [C-]#[N+]CCc1cc(C)ccc1C Amb33418345 [0,2,0,0,0,0|2,0,0]=4 13358 B12R1.374 [C-]#[N+]CCc1cc(C)ccc1Cl Amb33260107 [0,2,0,0,0,0|2,0,0]=4 13359 B12R1.374 [C-]#[N+]CCc1cc(C)ccc1F Amb33271438 [0,2,0,0,0,0|2,0,0]=4 13360 B12R1.374 [C-]#[N+]CCc1cc(Cl)ccc1Br Amb33478229 [0,2,0,0,0,0|2,0,0]=4 13361 B12R1.374 [C-]#[N+]CCc1cc(F)ccc1Br Amb33008545 [0,2,0,0,0,0|2,0,0]=4 13362 B12R1.374 [C-]#[N+]CCc1cc(F)ccc1C Amb33200577 [0,2,0,0,0,0|2,0,0]=4 13363 B12R1.374 [C-]#[N+]CCc1cc(F)ccc1F Amb32875165 [0,2,0,0,0,0|2,0,0]=4 13364 B12R1.1631 BrCCCc1c(Br)cccc1I Amb28208339 [0,2,0,0,0,0|1,0,0]=3 13365 B12R1.1631 BrCCOc1c(Br)cccc1Br Amb6632263 [0,2,0,0,0,0|2,0,0]=4 13366 B12R1.1631 C#CCCc1c(Br)cccc1Br Amb33009389 [0,2,0,0,0,0|1,0,1]=4 13367 B12R1.1631 C#CCCc1c(C)cccc1C Amb32725505 [0,2,0,0,0,0|1,0,1]=4 13368 B12R1.1631 C#CCCc1c(C)cccc1Cl Amb33259749 [0,2,0,0,0,0|1,0,1]=4 13369 B12R1.1631 C#CCCc1c(C)cccc1F Amb33148579 [0,2,0,0,0,0|1,0,1]=4 13370 B12R1.1631 C#CCCc1c(Cl)cccc1Br Amb33331851 [0,2,0,0,0,0|1,0,1]=4 13371 B12R1.1631 C#CCCc1c(Cl)cccc1Cl Amb18115182 [0,2,0,0,0,0|1,0,1]=4 13372 B12R1.1631 C#CCCc1c(F)cccc1Br Amb33430142 [0,2,0,0,0,0|1,0,1]=4 13373 B12R1.1631 C#CCCc1c(F)cccc1Cl Amb18636109 [0,2,0,0,0,0|1,0,1]=4 13374 B12R1.1631 C#CCCc1c(F)cccc1F Amb33226399 [0,2,0,0,0,0|1,0,1]=4 13375 B12R1.1631 C#CCCc1c(O)cccc1Br Amb33336513 [0,2,0,0,0,0|1,0,1]=4 13376 B12R1.1631 C#CCCc1c(O)cccc1Cl Amb33256166 [0,2,0,0,0,0|1,0,1]=4 13377 B12R1.1631 C=CCCc1c(C)cccc1C Amb27596124 [0,2,0,0,0,0|1,0,1]=4 13378 B12R1.1631 C=CCCc1c(Cl)cccc1Br Amb35715389 [0,2,0,0,0,0|1,0,1]=4 13379 B12R1.1631 CC1=CC=CC(=O)N1CCCBr Amb27975096 [0,2,0,0,0,0|2,0,0]=4 13380 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb18535488 [0,2,0,0,0,0|2,0,0]=4 13381 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb22587371 [0,2,0,0,0,0|2,0,0]=4 13382 B12R1.1631 CC1=CC=CC(=O)N1CCCN Amb32411909 [0,2,0,0,0,0|2,0,0]=4 13383 B12R1.1631 CCCCN1C(=O)C=CC=C1Br Amb28187881 [0,2,0,0,0,0|2,0,0]=4 13384 B12R1.1631 CCCCN1C(=O)C=CC=C1Cl Amb27178824 [0,2,0,0,0,0|2,0,0]=4 13385 B12R1.1631 CCCCc1c(C)cccc1N Amb27812884 [0,2,0,0,0,0|1,0,0]=3 13386 B12R1.1631 CCCCc1c(N)cccc1Br Amb29889508 [0,2,0,0,0,0|1,0,0]=3 13387 B12R1.1631 CCCCc1c(N)cncc1Br Amb25380660 [0,2,0,0,0,0|2,0,0]=4 13388 B12R1.1631 CCCCc1c(N)cncc1Cl Amb26332294 [0,2,0,0,0,0|2,0,0]=4 13389 B12R1.1631 CCCCc1c(O)cccc1O Amb27211987 [0,2,0,0,0,0|1,0,0]=3 13390 B12R1.1631 CCCNc1c(C)cccc1Br Amb35721344 [0,2,0,0,0,0|2,0,0]=4 13391 B12R1.1631 CCCNc1c(C)cccc1C Amb9174039 [0,2,0,0,0,0|2,0,0]=4 13392 B12R1.1631 CCCNc1c(C)cccc1Cl Amb27784256 [0,2,0,0,0,0|2,0,0]=4 13393 B12R1.1631 CCCNc1c(C)cccc1F Amb28423309 [0,2,0,0,0,0|2,0,0]=4 13394 B12R1.1631 CCCNc1c(C)cccc1N Amb24678901 [0,2,0,0,0,0|2,0,0]=4 13395 B12R1.1631 CCCNc1c(F)cccc1Br Amb27840814 [0,2,0,0,0,0|2,0,0]=4 13396 B12R1.1631 CCCNc1c(F)cccc1F Amb7784430 [0,2,0,0,0,0|2,0,0]=4 13397 B12R1.1631 CCCNc1c(N)cccc1Br Amb32708759 [0,2,0,0,0,0|2,0,0]=4 13398 B12R1.1631 CCCNc1c(N)cccc1F Amb22289420 [0,2,0,0,0,0|2,0,0]=4 13399 B12R1.1631 CCCOc1c(Br)cccc1Br Amb26472880 [0,2,0,0,0,0|2,0,0]=4 13400 B12R1.1631 CCCOc1c(C)cccc1C Amb28047213 [0,2,0,0,0,0|2,0,0]=4 13401 B12R1.1631 CCCOc1c(C)cccc1Cl Amb28185653 [0,2,0,0,0,0|2,0,0]=4 13402 B12R1.1631 CCCOc1c(C)cccc1N Amb27233002 [0,2,0,0,0,0|2,0,0]=4 13403 B12R1.1631 CCCOc1c(N)cccc1Br Amb25258745 [0,2,0,0,0,0|2,0,0]=4 13404 B12R1.1631 CCCOc1c(N)cccc1Cl Amb840118 [0,2,0,0,0,0|2,0,0]=4 13405 B12R1.1631 CCCOc1c(N)cccc1Cl Amb8627521 [0,2,0,0,0,0|2,0,0]=4 13406 B12R1.1631 CCCOc1c(N)cccc1F Amb25678737 [0,2,0,0,0,0|2,0,0]=4 13407 B12R1.1631 CCCOc1c(O)cccc1Br Amb22896497 [0,2,0,0,0,0|2,0,0]=4 13408 B12R1.1631 CCCSc1c(Cl)cccc1Cl Amb28455300 [0,2,0,0,0,0|2,0,0]=4 13409 B12R1.1631 CCCSc1c(N)cccc1Br Amb35591419 [0,2,0,0,0,0|2,0,0]=4 13410 B12R1.1631 CCCSc1c(N)cccc1F Amb27946345 [0,2,0,0,0,0|2,0,0]=4 13411 B12R1.1631 CCNCc1c(C)cccc1Br Amb27970004 [0,2,0,0,0,0|2,0,0]=4 13412 B12R1.1631 CCNCc1c(Cl)cccc1Cl Amb837777 [0,2,0,0,0,0|2,0,0]=4 13413 B12R1.1631 CCNCc1c(F)cccc1Cl Amb838071 [0,2,0,0,0,0|2,0,0]=4 13414 B12R1.1631 CCNCc1c(F)cccc1F Amb6271048 [0,2,0,0,0,0|2,0,0]=4 13415 B12R1.1631 CCNCc1c(O)cccc1Cl Amb26957305 [0,2,0,0,0,0|2,0,0]=4 13416 B12R1.1631 CCNCc1c(O)cccc1F Amb27175605 [0,2,0,0,0,0|2,0,0]=4 13417 B12R1.1631 CCSCc1c(C)cccc1C Amb25669819 [0,2,0,0,0,0|2,0,0]=4 13418 B12R1.1631 CCSCc1c(Cl)cccc1Cl Amb28283402 [0,2,0,0,0,0|2,0,0]=4 13419 B12R1.1631 CCSCc1c(F)cccc1Cl Amb25710319 [0,2,0,0,0,0|2,0,0]=4 13420 B12R1.1631 CNCCc1c(C)cccc1C Amb26993747 [0,2,0,0,0,0|2,0,0]=4 13421 B12R1.1631 CNCCc1c(C)cccc1Cl Amb33259433 [0,2,0,0,0,0|2,0,0]=4 13422 B12R1.1631 CNCCc1c(C)cccc1F Amb25311693 [0,2,0,0,0,0|2,0,0]=4 13423 B12R1.1631 CNCCc1c(Cl)cccc1Br Amb26511718 [0,2,0,0,0,0|2,0,0]=4 13424 B12R1.1631 CNCCc1c(Cl)cccc1Cl Amb17193870 [0,2,0,0,0,0|2,0,0]=4 13425 B12R1.1631 CNCCc1c(F)cccc1Br Amb24603339 [0,2,0,0,0,0|2,0,0]=4 13426 B12R1.1631 CNCCc1c(F)cccc1Cl Amb8853651 [0,2,0,0,0,0|2,0,0]=4 13427 B12R1.1631 CNCCc1c(F)cccc1F Amb25342833 [0,2,0,0,0,0|2,0,0]=4 13428 B12R1.1631 CNCCc1c(O)cccc1Br Amb33331533 [0,2,0,0,0,0|2,0,0]=4 13429 B12R1.1631 CNCCc1c(O)cccc1Cl Amb33260729 [0,2,0,0,0,0|2,0,0]=4 13430 B12R1.1631 Cc1cccc(Br)c1CCC=O Amb24341814 [0,2,0,0,0,0|0,0,2]=4 13431 B12R1.1631 Cc1cccc(Br)c1CCCBr Amb26532699 [0,2,0,0,0,0|1,0,0]=3 13432 B12R1.1631 Cc1cccc(Br)c1CCCCl Amb26424709 [0,2,0,0,0,0|1,0,0]=3 13433 B12R1.1631 Cc1cccc(Br)c1NCCF Amb35706683 [0,2,0,0,0,0|2,0,0]=4 13434 B12R1.1631 Cc1cccc(Br)c1NCCN Amb35721345 [0,2,0,0,0,0|2,0,0]=4 13435 B12R1.1631 Cc1cccc(Br)c1NCCO Amb35706949 [0,2,0,0,0,0|1,0,0]=3 13436 B12R1.1631 Cc1cccc(C)c1C#CCO Amb27853765 [0,2,0,0,0,0|0,0,2]=4 13437 B12R1.1631 Cc1cccc(C)c1CCC#N Amb25156532 [0,2,0,0,0,0|1,0,1]=4 13438 B12R1.1631 Cc1cccc(C)c1CCC=O Amb24092993 [0,2,0,0,0,0|0,0,2]=4 13439 B12R1.1631 Cc1cccc(C)c1CCCBr Amb26392428 [0,2,0,0,0,0|1,0,0]=3 13440 B12R1.1631 Cc1cccc(C)c1CCCCl Amb26656221 [0,2,0,0,0,0|1,0,0]=3 13441 B12R1.1631 Cc1cccc(C)c1CCCN Amb18251668 [0,2,0,0,0,0|1,0,0]=3 13442 B12R1.1631 Cc1cccc(C)c1CCCO Amb27217279 [0,2,0,0,0,0|0,0,0]=2 13443 B12R1.1631 Cc1cccc(C)c1CCCS Amb32726843 [0,2,0,0,0,0|0,1,0]=3 13444 B12R1.1631 Cc1cccc(C)c1CCNN Amb28423368 [0,2,0,0,0,0|2,0,0]=4 13445 B12R1.1631 Cc1cccc(C)c1CCON Amb32725538 [0,2,0,0,0,0|2,0,0]=4 13446 B12R1.1631 Cc1cccc(C)c1NCCCl Amb17335665 [0,2,0,0,0,0|2,0,0]=4 13447 B12R1.1631 Cc1cccc(C)c1NCCN Amb17091053 [0,2,0,0,0,0|2,0,0]=4 13448 B12R1.1631 Cc1cccc(C)c1NCCO Amb17306428 [0,2,0,0,0,0|1,0,0]=3 13449 B12R1.1631 Cc1cccc(C)c1OCCBr Amb1648711 [0,2,0,0,0,0|2,0,0]=4 13450 B12R1.1631 Cc1cccc(C)c1OCCCl Amb8828410 [0,2,0,0,0,0|2,0,0]=4 13451 B12R1.1631 Cc1cccc(C)c1OCCF Amb28124342 [0,2,0,0,0,0|2,0,0]=4 13452 B12R1.1631 Cc1cccc(C)c1OCCN Amb6336754 [0,2,0,0,0,0|2,0,0]=4 13453 B12R1.1631 Cc1cccc(C)c1OCCN Amb6383665 [0,2,0,0,0,0|2,0,0]=4 13454 B12R1.1631 Cc1cccc(C)c1OCCO Amb9370596 [0,2,0,0,0,0|1,0,0]=3 13455 B12R1.1631 Cc1cccc(C)c1OCCS Amb6255104 [0,2,0,0,0,0|1,1,0]=4 13456 B12R1.1631 Cc1cccc(C)c1SCCBr Amb27264830 [0,2,0,0,0,0|2,0,0]=4 13457 B12R1.1631 Cc1cccc(C)c1SCCN Amb28137918 [0,2,0,0,0,0|2,0,0]=4 13458 B12R1.1631 Cc1cccc(C)c1SCCO Amb2687599 [0,2,0,0,0,0|1,0,0]=3 13459 B12R1.1631 Cc1cccc(C)c1\C=C\CO Amb33359467 [0,2,0,0,0,0|0,0,2]=4 13460 B12R1.1631 Cc1cccc(Cl)c1CCC#N Amb26906388 [0,2,0,0,0,0|1,0,1]=4 13461 B12R1.1631 Cc1cccc(Cl)c1CCC=O Amb27211329 [0,2,0,0,0,0|0,0,2]=4 13462 B12R1.1631 Cc1cccc(Cl)c1CCCBr Amb25922220 [0,2,0,0,0,0|1,0,0]=3 13463 B12R1.1631 Cc1cccc(Cl)c1CCCCl Amb25234260 [0,2,0,0,0,0|1,0,0]=3 13464 B12R1.1631 Cc1cccc(Cl)c1CCCN Amb26059714 [0,2,0,0,0,0|1,0,0]=3 13465 B12R1.1631 Cc1cccc(Cl)c1CCCN Amb32782496 [0,2,0,0,0,0|1,0,0]=3 13466 B12R1.1631 Cc1cccc(Cl)c1CCCO Amb25791304 [0,2,0,0,0,0|0,0,0]=2 13467 B12R1.1631 Cc1cccc(Cl)c1CCCS Amb33413820 [0,2,0,0,0,0|0,1,0]=3 13468 B12R1.1631 Cc1cccc(Cl)c1CCON Amb33259450 [0,2,0,0,0,0|2,0,0]=4 13469 B12R1.1631 Cc1cccc(Cl)c1NCCF Amb27648002 [0,2,0,0,0,0|2,0,0]=4 13470 B12R1.1631 Cc1cccc(Cl)c1OCCBr Amb10608622 [0,2,0,0,0,0|2,0,0]=4 13471 B12R1.1631 Cc1cccc(Cl)c1OCCN Amb6369157 [0,2,0,0,0,0|2,0,0]=4 13472 B12R1.1631 Cc1cccc(Cl)c1OCCN Amb6859378 [0,2,0,0,0,0|2,0,0]=4 13473 B12R1.1631 Cc1cccc(Cl)c1OCCO Amb27762313 [0,2,0,0,0,0|1,0,0]=3 13474 B12R1.1631 Cc1cccc(Cl)c1\C=C\CO Amb33259733 [0,2,0,0,0,0|0,0,2]=4 13475 B12R1.1631 Cc1cccc(F)c1CCC#N Amb27427642 [0,2,0,0,0,0|1,0,1]=4 13476 B12R1.1631 Cc1cccc(F)c1CCC=O Amb24432818 [0,2,0,0,0,0|0,0,2]=4 13477 B12R1.1631 Cc1cccc(F)c1CCCBr Amb24637088 [0,2,0,0,0,0|1,0,0]=3 13478 B12R1.1631 Cc1cccc(F)c1CCCCl Amb27669873 [0,2,0,0,0,0|1,0,0]=3 13479 B12R1.1631 Cc1cccc(F)c1CCCN Amb27229462 [0,2,0,0,0,0|1,0,0]=3 13480 B12R1.1631 Cc1cccc(F)c1CCCO Amb33148581 [0,2,0,0,0,0|0,0,0]=2 13481 B12R1.1631 Cc1cccc(F)c1CCCS Amb33148308 [0,2,0,0,0,0|0,1,0]=3 13482 B12R1.1631 Cc1cccc(F)c1CCON Amb33143408 [0,2,0,0,0,0|2,0,0]=4 13483 B12R1.1631 Cc1cccc(F)c1NCCN Amb27164797 [0,2,0,0,0,0|2,0,0]=4 13484 B12R1.1631 Cc1cccc(F)c1NCCO Amb27595906 [0,2,0,0,0,0|1,0,0]=3 13485 B12R1.1631 Cc1cccc(F)c1OCCN Amb24367943 [0,2,0,0,0,0|2,0,0]=4 13486 B12R1.1631 Cc1cccc(F)c1\C=C\CO Amb33143160 [0,2,0,0,0,0|0,0,2]=4 13487 B12R1.1631 Cc1cccc(I)c1CCC#N Amb28056976 [0,2,0,0,0,0|1,0,1]=4 13488 B12R1.1631 Cc1cccc(I)c1CCC=O Amb27962889 [0,2,0,0,0,0|0,0,2]=4 13489 B12R1.1631 Cc1cccc(I)c1CCCBr Amb28290904 [0,2,0,0,0,0|1,0,0]=3 13490 B12R1.1631 Cc1cccc(N)c1CCCBr Amb25223463 [0,2,0,0,0,0|1,0,0]=3 13491 B12R1.1631 Cc1cccc(N)c1COCS Amb27790786 [0,2,0,0,0,0|1,1,0]=4 13492 B12R1.1631 Cc1cccc(N)c1NCCO Amb28244081 [0,2,0,0,0,0|1,0,0]=3 13493 B12R1.1631 Cc1cccc(N)c1OCCN Amb28188786 [0,2,0,0,0,0|2,0,0]=4 13494 B12R1.1631 Cc1cccc(N)c1OCCO Amb25324902 [0,2,0,0,0,0|1,0,0]=3 13495 B12R1.1631 Cc1cccc(N)c1SCCO Amb28244082 [0,2,0,0,0,0|1,0,0]=3 13496 B12R1.1631 Cc1cccc(O)c1CCCBr Amb28245942 [0,2,0,0,0,0|1,0,0]=3 13497 B12R1.1631 Cc1cccc(O)c1CCCCl Amb27199955 [0,2,0,0,0,0|1,0,0]=3 13498 B12R1.1631 Cc1cccc(S)c1CCC=O Amb27624765 [0,2,0,0,0,0|0,0,2]=4 13499 B12R1.1631 Cc1cccc(S)c1CCCBr Amb27846993 [0,2,0,0,0,0|1,0,0]=3 13500 B12R1.1631 Cc1cccc(S)c1CCCCl Amb25961171 [0,2,0,0,0,0|1,0,0]=3 13501 B12R1.1631 Cc1ccnc(N)c1CCCBr Amb27222965 [0,2,0,0,0,0|2,0,0]=4 13502 B12R1.1631 Cc1ccnc(N)c1CCCCl Amb27874959 [0,2,0,0,0,0|2,0,0]=4 13503 B12R1.1631 Cc1cncc(F)c1CCCN Amb27621169 [0,2,0,0,0,0|2,0,0]=4 13504 B12R1.1631 Cc1nccc(Cl)c1OCCO Amb27186396 [0,2,0,0,0,0|2,0,0]=4 13505 B12R1.1631 Cc1nccc(F)c1CCCN Amb28367927 [0,2,0,0,0,0|2,0,0]=4 13506 B12R1.1631 ClCCCc1c(Br)cccc1Br Amb25208586 [0,2,0,0,0,0|1,0,0]=3 13507 B12R1.1631 ClCCCc1c(Br)cccc1I Amb26917468 [0,2,0,0,0,0|1,0,0]=3 13508 B12R1.1631 ClCCCc1c(Cl)cccc1Br Amb26599739 [0,2,0,0,0,0|1,0,0]=3 13509 B12R1.1631 ClCCCc1c(Cl)cccc1Cl Amb24341769 [0,2,0,0,0,0|1,0,0]=3 13510 B12R1.1631 ClCCOc1c(Br)cccc1Br Amb8828462 [0,2,0,0,0,0|2,0,0]=4 13511 B12R1.1631 ClCCOc1c(Cl)cccc1Cl Amb1152442 [0,2,0,0,0,0|2,0,0]=4 13512 B12R1.1631 Clc1cccc(Br)c1CCCBr Amb25986634 [0,2,0,0,0,0|1,0,0]=3 13513 B12R1.1631 Clc1cccc(Cl)c1CCCBr Amb24456278 [0,2,0,0,0,0|1,0,0]=3 13514 B12R1.1631 Clc1cccc(Cl)c1OCCBr Amb1152417 [0,2,0,0,0,0|2,0,0]=4 13515 B12R1.1631 Clc1cncc(Cl)c1CCCBr Amb33337578 [0,2,0,0,0,0|2,0,0]=4 13516 B12R1.1631 FCCOc1c(Cl)cccc1Cl Amb28381914 [0,2,0,0,0,0|2,0,0]=4 13517 B12R1.1631 FCCOc1c(F)cccc1Cl Amb27946634 [0,2,0,0,0,0|2,0,0]=4 13518 B12R1.1631 Fc1cccc(Br)c1CCCBr Amb25312282 [0,2,0,0,0,0|1,0,0]=3 13519 B12R1.1631 Fc1cccc(Br)c1CCCCl Amb26617884 [0,2,0,0,0,0|1,0,0]=3 13520 B12R1.1631 Fc1cccc(Br)c1CCCS Amb33478531 [0,2,0,0,0,0|0,1,0]=3 13521 B12R1.1631 Fc1cccc(Br)c1OCCBr Amb22896607 [0,2,0,0,0,0|2,0,0]=4 13522 B12R1.1631 Fc1cccc(Cl)c1CCCBr Amb17104568 [0,2,0,0,0,0|1,0,0]=3 13523 B12R1.1631 Fc1cccc(Cl)c1CCCCl Amb17104540 [0,2,0,0,0,0|1,0,0]=3 13524 B12R1.1631 Fc1cccc(Cl)c1CCCS Amb17402978 [0,2,0,0,0,0|0,1,0]=3 13525 B12R1.1631 Fc1cccc(Cl)c1OCCCl Amb27830731 [0,2,0,0,0,0|2,0,0]=4 13526 B12R1.1631 Fc1cccc(F)c1CCCBr Amb25152621 [0,2,0,0,0,0|1,0,0]=3 13527 B12R1.1631 Fc1cccc(F)c1CCCCl Amb25189588 [0,2,0,0,0,0|1,0,0]=3 13528 B12R1.1631 Fc1cccc(F)c1CCCS Amb33314363 [0,2,0,0,0,0|0,1,0]=3 13529 B12R1.1631 Fc1cccc(F)c1OCCBr Amb26615147 [0,2,0,0,0,0|2,0,0]=4 13530 B12R1.1631 Fc1cccc(F)c1OCCCl Amb27254355 [0,2,0,0,0,0|2,0,0]=4 13531 B12R1.1631 Fc1cccc(S)c1CCCBr Amb28133830 [0,2,0,0,0,0|1,0,0]=3 13532 B12R1.1631 Fc1cccc(S)c1CCCCl Amb27423555 [0,2,0,0,0,0|1,0,0]=3 13533 B12R1.1631 Fc1cncc(Br)c1CCCCl Amb27268660 [0,2,0,0,0,0|2,0,0]=4 13534 B12R1.1631 Fc1cncc(F)c1CCCBr Amb29875586 [0,2,0,0,0,0|2,0,0]=4 13535 B12R1.1631 Fc1cncc(F)c1CCCCl Amb29875585 [0,2,0,0,0,0|2,0,0]=4 13536 B12R1.1631 Fc1cncc(F)c1CCCS Amb32880255 [0,2,0,0,0,0|1,1,0]=4 13537 B12R1.1631 Fc1nccc(Cl)c1CCCBr Amb33334115 [0,2,0,0,0,0|2,0,0]=4 13538 B12R1.1631 N#CCCc1c(Br)cccc1Br Amb27445792 [0,2,0,0,0,0|1,0,1]=4 13539 B12R1.1631 N#CCCc1c(Cl)cccc1Br Amb27193320 [0,2,0,0,0,0|1,0,1]=4 13540 B12R1.1631 N#CCCc1c(Cl)cccc1Cl Amb19038886 [0,2,0,0,0,0|1,0,1]=4 13541 B12R1.1631 N#CCCc1c(Cl)cccc1I Amb27967915 [0,2,0,0,0,0|1,0,1]=4 13542 B12R1.1631 N#CCCc1c(F)cccc1Br Amb25311739 [0,2,0,0,0,0|1,0,1]=4 13543 B12R1.1631 N#CCCc1c(F)cccc1Cl Amb19057365 [0,2,0,0,0,0|1,0,1]=4 13544 B12R1.1631 N#CCCc1c(F)cccc1F Amb27393483 [0,2,0,0,0,0|1,0,1]=4 13545 B12R1.1631 N#CCCc1c(I)cccc1I Amb27638364 [0,2,0,0,0,0|1,0,1]=4 13546 B12R1.1631 N#CCCc1c(N)cccc1F Amb27614016 [0,2,0,0,0,0|1,0,1]=4 13547 B12R1.1631 N#CCCc1c(N)cccc1O Amb27616170 [0,2,0,0,0,0|1,0,1]=4 13548 B12R1.1631 N#CCCc1c(O)cccc1Br Amb26445584 [0,2,0,0,0,0|1,0,1]=4 13549 B12R1.1631 N#CCCc1c(O)cccc1Cl Amb26414102 [0,2,0,0,0,0|1,0,1]=4 13550 B12R1.1631 N#CCCc1c(O)cccc1F Amb27239024 [0,2,0,0,0,0|1,0,1]=4 13551 B12R1.1631 N#CCCc1c(O)cccc1S Amb27423578 [0,2,0,0,0,0|1,0,1]=4 13552 B12R1.1631 N#CCCc1c(S)cccc1Br Amb27613913 [0,2,0,0,0,0|1,0,1]=4 13553 B12R1.1631 N#CCCc1c(S)cccc1I Amb27230865 [0,2,0,0,0,0|1,0,1]=4 13554 B12R1.1631 NCCCN1C(=O)C=CC=C1Br Amb18040601 [0,2,0,0,0,0|2,0,0]=4 13555 B12R1.1631 NCCCc1c(Cl)cccc1Br Amb24447135 [0,2,0,0,0,0|1,0,0]=3 13556 B12R1.1631 NCCCc1c(Cl)cccc1Cl Amb32665389 [0,2,0,0,0,0|1,0,0]=3 13557 B12R1.1631 NCCCc1c(Cl)cccc1Cl Amb9304926 [0,2,0,0,0,0|1,0,0]=3 13558 B12R1.1631 NCCCc1c(Cl)ccnc1F Amb25682533 [0,2,0,0,0,0|2,0,0]=4 13559 B12R1.1631 NCCCc1c(Cl)cncc1Cl Amb28323229 [0,2,0,0,0,0|2,0,0]=4 13560 B12R1.1631 NCCCc1c(F)cccc1Br Amb28127001 [0,2,0,0,0,0|1,0,0]=3 13561 B12R1.1631 NCCCc1c(F)cccc1Cl Amb22548235 [0,2,0,0,0,0|1,0,0]=3 13562 B12R1.1631 NCCCc1c(F)cccc1Cl Amb5735482 [0,2,0,0,0,0|1,0,0]=3 13563 B12R1.1631 NCCCc1c(F)cccc1F Amb18981388 [0,2,0,0,0,0|1,0,0]=3 13564 B12R1.1631 NCCCc1c(F)cncc1F Amb32882302 [0,2,0,0,0,0|2,0,0]=4 13565 B12R1.1631 NCCCc1c(I)ccnc1Cl Amb27873559 [0,2,0,0,0,0|2,0,0]=4 13566 B12R1.1631 NCCCc1c(O)cccc1Br Amb33331524 [0,2,0,0,0,0|1,0,0]=3 13567 B12R1.1631 NCCCc1c(O)cccc1Cl Amb28365633 [0,2,0,0,0,0|1,0,0]=3 13568 B12R1.1631 NCCCc1c(O)cccc1F Amb25149830 [0,2,0,0,0,0|1,0,0]=3 13569 B12R1.1631 NCCCc1c(O)cccc1O Amb27238060 [0,2,0,0,0,0|1,0,0]=3 13570 B12R1.1631 NCCNc1c(F)cccc1F Amb17091087 [0,2,0,0,0,0|2,0,0]=4 13571 B12R1.1631 NCCNc1c(N)cccc1Br Amb35638510 [0,2,0,0,0,0|2,0,0]=4 13572 B12R1.1631 NCCNc1c(N)cccc1Cl Amb18991499 [0,2,0,0,0,0|2,0,0]=4 13573 B12R1.1631 NCCOc1c(Cl)cccc1Br Amb28075330 [0,2,0,0,0,0|2,0,0]=4 13574 B12R1.1631 NCCOc1c(Cl)cccc1Cl Amb29844657 [0,2,0,0,0,0|2,0,0]=4 13575 B12R1.1631 NCCOc1c(Cl)cccc1Cl Amb5781217 [0,2,0,0,0,0|2,0,0]=4 13576 B12R1.1631 NCCOc1c(F)cccc1Br Amb25896405 [0,2,0,0,0,0|2,0,0]=4 13577 B12R1.1631 NCCOc1c(F)cccc1Cl Amb27199198 [0,2,0,0,0,0|2,0,0]=4 13578 B12R1.1631 NCCOc1c(F)cccc1F Amb22396841 [0,2,0,0,0,0|2,0,0]=4 13579 B12R1.1631 NCCOc1c(O)cccc1Br Amb33336515 [0,2,0,0,0,0|2,0,0]=4 13580 B12R1.1631 NCCOc1c(O)cccc1Cl Amb33256217 [0,2,0,0,0,0|2,0,0]=4 13581 B12R1.1631 NNCCc1c(F)cccc1Cl Amb7771380 [0,2,0,0,0,0|2,0,0]=4 13582 B12R1.1631 NOCCc1c(Cl)cccc1Br Amb33336237 [0,2,0,0,0,0|2,0,0]=4 13583 B12R1.1631 NOCCc1c(Cl)cccc1Cl Amb33256470 [0,2,0,0,0,0|2,0,0]=4 13584 B12R1.1631 NOCCc1c(F)cccc1Br Amb33430009 [0,2,0,0,0,0|2,0,0]=4 13585 B12R1.1631 NOCCc1c(F)cccc1Cl Amb33256126 [0,2,0,0,0,0|2,0,0]=4 13586 B12R1.1631 NOCCc1c(F)cccc1F Amb22900926 [0,2,0,0,0,0|2,0,0]=4 13587 B12R1.1631 NOCCc1c(O)cccc1Br Amb33431137 [0,2,0,0,0,0|2,0,0]=4 13588 B12R1.1631 NOCCc1c(O)cccc1Cl Amb33261089 [0,2,0,0,0,0|2,0,0]=4 13589 B12R1.1631 Nc1cccc(Br)c1CCCBr Amb27259767 [0,2,0,0,0,0|1,0,0]=3 13590 B12R1.1631 Nc1cccc(Br)c1CCCCl Amb24626552 [0,2,0,0,0,0|1,0,0]=3 13591 B12R1.1631 Nc1cccc(Br)c1NCCF Amb35638514 [0,2,0,0,0,0|2,0,0]=4 13592 B12R1.1631 Nc1cccc(Br)c1NCCO Amb35638513 [0,2,0,0,0,0|1,0,0]=3 13593 B12R1.1631 Nc1cccc(Br)c1OCCF Amb25898835 [0,2,0,0,0,0|2,0,0]=4 13594 B12R1.1631 Nc1cccc(Br)c1OCCO Amb25898836 [0,2,0,0,0,0|1,0,0]=3 13595 B12R1.1631 Nc1cccc(Br)c1SCCO Amb35591421 [0,2,0,0,0,0|1,0,0]=3 13596 B12R1.1631 Nc1cccc(Cl)c1OCCF Amb25108017 [0,2,0,0,0,0|2,0,0]=4 13597 B12R1.1631 Nc1cccc(Cl)c1OCCO Amb6680949 [0,2,0,0,0,0|1,0,0]=3 13598 B12R1.1631 Nc1cccc(Cl)c1SCCO Amb8935464 [0,2,0,0,0,0|1,0,0]=3 13599 B12R1.1631 Nc1cccc(F)c1CCCBr Amb27614018 [0,2,0,0,0,0|1,0,0]=3 13600 B12R1.1631 Nc1cccc(F)c1CCCCl Amb27614024 [0,2,0,0,0,0|1,0,0]=3 13601 B12R1.1631 Nc1cccc(F)c1OCCF Amb26375864 [0,2,0,0,0,0|2,0,0]=4 13602 B12R1.1631 Nc1cccc(F)c1OCCO Amb24729037 [0,2,0,0,0,0|1,0,0]=3 13603 B12R1.1631 Nc1cccc(N)c1CCCCl Amb27209712 [0,2,0,0,0,0|1,0,0]=3 13604 B12R1.1631 Nc1cccc(O)c1CCCCl Amb27625210 [0,2,0,0,0,0|1,0,0]=3 13605 B12R1.1631 Nc1cccc(S)c1CCC=O Amb28384695 [0,2,0,0,0,0|0,0,2]=4 13606 B12R1.1631 Nc1cncc(Br)c1OCCO Amb27484727 [0,2,0,0,0,0|2,0,0]=4 13607 B12R1.1631 Nc1cncc(Cl)c1OCCO Amb26326966 [0,2,0,0,0,0|2,0,0]=4 13608 B12R1.1631 O=C1C=NC=C(Br)N1CCCO Amb28140446 [0,2,0,0,0,0|2,0,0]=4 13609 B12R1.1631 O=CCCc1c(Cl)cccc1Br Amb26494572 [0,2,0,0,0,0|0,0,2]=4 13610 B12R1.1631 O=CCCc1c(Cl)cccc1Cl Amb24092996 [0,2,0,0,0,0|0,0,2]=4 13611 B12R1.1631 O=CCCc1c(Cl)cccc1I Amb27759488 [0,2,0,0,0,0|0,0,2]=4 13612 B12R1.1631 O=CCCc1c(F)cccc1Br Amb25035166 [0,2,0,0,0,0|0,0,2]=4 13613 B12R1.1631 O=CCCc1c(F)cccc1Cl Amb17081684 [0,2,0,0,0,0|0,0,2]=4 13614 B12R1.1631 O=CCCc1c(F)cccc1F Amb25728226 [0,2,0,0,0,0|0,0,2]=4 13615 B12R1.1631 O=CCCc1c(F)cccc1I Amb25055675 [0,2,0,0,0,0|0,0,2]=4 13616 B12R1.1631 O=CCCc1c(F)cccc1S Amb27798716 [0,2,0,0,0,0|0,0,2]=4 13617 B12R1.1631 O=CCCc1c(O)cccc1Br Amb28046347 [0,2,0,0,0,0|0,0,2]=4 13618 B12R1.1631 O=CCCc1c(O)cccc1Cl Amb26845539 [0,2,0,0,0,0|0,0,2]=4 13619 B12R1.1631 O=CCCc1c(O)cccc1I Amb25784762 [0,2,0,0,0,0|0,0,2]=4 13620 B12R1.1631 O=CCCc1c(O)cccc1S Amb27259768 [0,2,0,0,0,0|0,0,2]=4 13621 B12R1.1631 O=CCCc1c(S)cccc1Br Amb28435487 [0,2,0,0,0,0|0,0,2]=4 13622 B12R1.1631 O=CCCc1c(S)cccc1Cl Amb27623464 [0,2,0,0,0,0|0,0,2]=4 13623 B12R1.1631 O=CCCc1c(S)cccc1S Amb28133073 [0,2,0,0,0,0|0,0,2]=4 13624 B12R1.1631 OCCCc1c(Cl)cccc1Br Amb25829173 [0,2,0,0,0,0|0,0,0]=2 13625 B12R1.1631 OCCCc1c(Cl)cccc1Cl Amb24356168 [0,2,0,0,0,0|0,0,0]=2 13626 B12R1.1631 OCCCc1c(Cl)cncc1Cl Amb27169545 [0,2,0,0,0,0|1,0,0]=3 13627 B12R1.1631 OCCCc1c(Cl)ncnc1Cl Amb33262485 [0,2,0,0,0,0|2,0,0]=4 13628 B12R1.1631 OCCCc1c(F)cccc1Br Amb33241224 [0,2,0,0,0,0|0,0,0]=2 13629 B12R1.1631 OCCCc1c(F)cccc1Cl Amb17089506 [0,2,0,0,0,0|0,0,0]=2 13630 B12R1.1631 OCCCc1c(F)cccc1F Amb24447301 [0,2,0,0,0,0|0,0,0]=2 13631 B12R1.1631 OCCCc1c(F)cncc1F Amb29876730 [0,2,0,0,0,0|1,0,0]=3 13632 B12R1.1631 OCCCc1c(O)cccc1Cl Amb24416761 [0,2,0,0,0,0|0,0,0]=2 13633 B12R1.1631 OCCCc1c(O)cccc1F Amb28119944 [0,2,0,0,0,0|0,0,0]=2 13634 B12R1.1631 OCCNc1c(F)cccc1Cl Amb28346199 [0,2,0,0,0,0|1,0,0]=3 13635 B12R1.1631 OCCOc1c(Cl)cccc1Cl Amb4018029 [0,2,0,0,0,0|1,0,0]=3 13636 B12R1.1631 OC\C=C\c1c(Cl)cccc1Br Amb33337614 [0,2,0,0,0,0|0,0,2]=4 13637 B12R1.1631 OC\C=C\c1c(Cl)cccc1Cl Amb33136403 [0,2,0,0,0,0|0,0,2]=4 13638 B12R1.1631 OC\C=C\c1c(F)cccc1Br Amb27666063 [0,2,0,0,0,0|0,0,2]=4 13639 B12R1.1631 OC\C=C\c1c(F)cccc1Cl Amb33136461 [0,2,0,0,0,0|0,0,2]=4 13640 B12R1.1631 OC\C=C\c1c(F)cccc1F Amb33136460 [0,2,0,0,0,0|0,0,2]=4 13641 B12R1.1631 OC\C=C\c1c(O)cccc1Br Amb33336191 [0,2,0,0,0,0|0,0,2]=4 13642 B12R1.1631 OC\C=C\c1c(O)cccc1Cl Amb33261069 [0,2,0,0,0,0|0,0,2]=4 13643 B12R1.1631 Oc1cccc(Br)c1CCCBr Amb25377434 [0,2,0,0,0,0|1,0,0]=3 13644 B12R1.1631 Oc1cccc(Br)c1CCCCl Amb24638372 [0,2,0,0,0,0|1,0,0]=3 13645 B12R1.1631 Oc1cccc(Br)c1CCCS Amb33336526 [0,2,0,0,0,0|0,1,0]=3 13646 B12R1.1631 Oc1cccc(Cl)c1CCCBr Amb27789042 [0,2,0,0,0,0|1,0,0]=3 13647 B12R1.1631 Oc1cccc(Cl)c1CCCCl Amb28202634 [0,2,0,0,0,0|1,0,0]=3 13648 B12R1.1631 Oc1cccc(Cl)c1CCCS Amb33256190 [0,2,0,0,0,0|0,1,0]=3 13649 B12R1.1631 Oc1cccc(F)c1CCCBr Amb27208811 [0,2,0,0,0,0|1,0,0]=3 13650 B12R1.1631 Oc1cccc(F)c1CCCCl Amb27423570 [0,2,0,0,0,0|1,0,0]=3 13651 B12R1.1631 Oc1cccc(S)c1CCCBr Amb28196039 [0,2,0,0,0,0|1,0,0]=3 13652 B12R1.1631 SCCCc1c(Cl)cccc1Br Amb33333768 [0,2,0,0,0,0|0,1,0]=3 13653 B12R1.1631 SCCCc1c(Cl)cccc1Cl Amb33258780 [0,2,0,0,0,0|0,1,0]=3 13654 B12R1.1631 SCCCc1c(Cl)cncc1Cl Amb33257611 [0,2,0,0,0,0|1,1,0]=4 13655 B12R1.1631 SCCOc1c(Br)cccc1Br Amb27853476 [0,2,0,0,0,0|1,1,0]=4 13656 B12R1.1631 SCCOc1c(Cl)cccc1Cl Amb6663455 [0,2,0,0,0,0|1,1,0]=4 13657 B12R1.1631 Sc1cccc(Br)c1CCCCl Amb27259749 [0,2,0,0,0,0|1,0,0]=3 13658 B12R1.1631 Sc1cccc(Cl)c1CCCBr Amb27795116 [0,2,0,0,0,0|1,0,0]=3 13659 B12R1.1631 Sc1cccc(Cl)c1CCCCl Amb27239050 [0,2,0,0,0,0|1,0,0]=3 13660 B12R1.1631 [C-]#[N+]CCc1c(Br)cccc1Br Amb33009391 [0,2,0,0,0,0|2,0,0]=4 13661 B12R1.1631 [C-]#[N+]CCc1c(C)cccc1C Amb32725565 [0,2,0,0,0,0|2,0,0]=4 13662 B12R1.1631 [C-]#[N+]CCc1c(C)cccc1Cl Amb33259700 [0,2,0,0,0,0|2,0,0]=4 13663 B12R1.1631 [C-]#[N+]CCc1c(C)cccc1F Amb33143455 [0,2,0,0,0,0|2,0,0]=4 13664 B12R1.1631 [C-]#[N+]CCc1c(Cl)cccc1Br Amb33336247 [0,2,0,0,0,0|2,0,0]=4 13665 B12R1.1631 [C-]#[N+]CCc1c(Cl)cccc1Cl Amb2686901 [0,2,0,0,0,0|2,0,0]=4 13666 B12R1.1631 [C-]#[N+]CCc1c(F)cccc1Br Amb33429994 [0,2,0,0,0,0|2,0,0]=4 13667 B12R1.1631 [C-]#[N+]CCc1c(F)cccc1Cl Amb33256177 [0,2,0,0,0,0|2,0,0]=4 13668 B12R1.1631 [C-]#[N+]CCc1c(F)cccc1F Amb33315273 [0,2,0,0,0,0|2,0,0]=4 13669 B12R1.1778 CC1(CCCO)C=CC=CC1=O Amb27176175 [0,2,0,0,0,0|0,0,1]=3 13670 B12R1.28 BrCCCCc1cccc(Br)c1 Amb34914035 [0,2,0,0,0,0|1,0,0]=3 13671 B12R1.28 BrCCCOc1cccc(I)c1 Amb8838635 [0,2,0,0,0,0|1,0,0]=3 13672 B12R1.28 BrCCCOc1cncc(Br)c1 Amb32413612 [0,2,0,0,0,0|2,0,0]=4 13673 B12R1.28 BrCC\C=C\c1cccc(Br)c1 Amb29880592 [0,2,0,0,0,0|1,0,1]=4 13674 B12R1.28 C#CCCCc1cccc(Br)c1 Amb33433763 [0,2,0,0,0,0|1,0,0]=3 13675 B12R1.28 C#CCCNc1cccc(Cl)c1 Amb27816959 [0,2,0,0,0,0|1,0,1]=4 13676 B12R1.28 C#CCCNc1cccc(I)c1 Amb27591883 [0,2,0,0,0,0|1,0,1]=4 13677 B12R1.28 C#CCCOc1cccc(Cl)c1 Amb27455909 [0,2,0,0,0,0|1,0,1]=4 13678 B12R1.28 C#CCCOc1cccc(F)c1 Amb24706220 [0,2,0,0,0,0|1,0,1]=4 13679 B12R1.28 C#CCCSc1cccc(Br)c1 Amb28341287 [0,2,0,0,0,0|1,0,1]=4 13680 B12R1.28 C#CCCSc1cccc(Cl)c1 Amb28058150 [0,2,0,0,0,0|1,0,1]=4 13681 B12R1.28 C#CCCSc1cccc(O)c1 Amb27834380 [0,2,0,0,0,0|1,0,1]=4 13682 B12R1.28 C#CCNCc1cccc(Br)c1 Amb21979461 [0,2,0,0,0,0|1,0,1]=4 13683 B12R1.28 C#CCNCc1cccc(Br)c1 Amb6683537 [0,2,0,0,0,0|1,0,1]=4 13684 B12R1.28 C#CCNCc1cccc(C)c1 Amb21979538 [0,2,0,0,0,0|1,0,1]=4 13685 B12R1.28 C#CCNCc1cccc(C)c1 Amb6683558 [0,2,0,0,0,0|1,0,1]=4 13686 B12R1.28 C#CCNCc1cccc(Cl)c1 Amb21979462 [0,2,0,0,0,0|1,0,1]=4 13687 B12R1.28 C#CCNCc1cccc(Cl)c1 Amb6683718 [0,2,0,0,0,0|1,0,1]=4 13688 B12R1.28 C#CCNCc1cccc(I)c1 Amb27410312 [0,2,0,0,0,0|1,0,1]=4 13689 B12R1.28 C#CCOCc1cccc(C)c1 Amb27664452 [0,2,0,0,0,0|1,0,1]=4 13690 B12R1.28 C#CCOCc1cccc(N)c1 Amb24116425 [0,2,0,0,0,0|1,0,1]=4 13691 B12R1.28 C#CCSCc1cccc(F)c1 Amb28189991 [0,2,0,0,0,0|1,0,1]=4 13692 B12R1.28 C#CCSCc1cccc(N)c1 Amb27450776 [0,2,0,0,0,0|1,0,1]=4 13693 B12R1.28 C=CCCNc1cccc(Br)c1 Amb27589967 [0,2,0,0,0,0|1,0,1]=4 13694 B12R1.28 C=CCCNc1cccc(C)c1 Amb27789522 [0,2,0,0,0,0|1,0,1]=4 13695 B12R1.28 C=CCCNc1cccc(Cl)c1 Amb27470578 [0,2,0,0,0,0|1,0,1]=4 13696 B12R1.28 C=CCCNc1cccc(I)c1 Amb27250272 [0,2,0,0,0,0|1,0,1]=4 13697 B12R1.28 C=CCCOc1cccc(F)c1 Amb33474289 [0,2,0,0,0,0|1,0,1]=4 13698 B12R1.28 C=CCCOc1cccc(N)c1 Amb33545664 [0,2,0,0,0,0|1,0,1]=4 13699 B12R1.28 C=CCNCc1cccc(Br)c1 Amb1923351 [0,2,0,0,0,0|1,0,1]=4 13700 B12R1.28 C=CCNCc1cccc(Br)c1 Amb6864776 [0,2,0,0,0,0|1,0,1]=4 13701 B12R1.28 C=CCNCc1cccc(C)c1 Amb19890661 [0,2,0,0,0,0|1,0,1]=4 13702 B12R1.28 C=CCNCc1cccc(C)c1 Amb6683789 [0,2,0,0,0,0|1,0,1]=4 13703 B12R1.28 C=CCNCc1cccc(Cl)c1 Amb19890325 [0,2,0,0,0,0|1,0,1]=4 13704 B12R1.28 C=CCNCc1cccc(Cl)c1 Amb4304022 [0,2,0,0,0,0|1,0,1]=4 13705 B12R1.28 C=CCNCc1cccc(F)c1 Amb20673583 [0,2,0,0,0,0|1,0,1]=4 13706 B12R1.28 C=CCNCc1cccc(F)c1 Amb6683782 [0,2,0,0,0,0|1,0,1]=4 13707 B12R1.28 C=CCNCc1cccc(O)c1 Amb19890781 [0,2,0,0,0,0|1,0,1]=4 13708 B12R1.28 C=CCNCc1cccc(O)c1 Amb6683948 [0,2,0,0,0,0|1,0,1]=4 13709 B12R1.28 C=CCOCc1cccc(Br)c1 Amb30590522 [0,2,0,0,0,0|1,0,1]=4 13710 B12R1.28 CCCC#Cc1cccc(C)c1 Amb26604761 [0,2,0,0,0,0|1,0,1]=4 13711 B12R1.28 CCCC#Cc1cccc(Cl)c1 Amb28124858 [0,2,0,0,0,0|1,0,1]=4 13712 B12R1.28 CCCC#Cc1cccc(F)c1 Amb25221923 [0,2,0,0,0,0|1,0,1]=4 13713 B12R1.28 CCCC#Cc1cccc(I)c1 Amb24604509 [0,2,0,0,0,0|1,0,1]=4 13714 B12R1.28 CCCC#Cc1cccc(N)c1 Amb25863654 [0,2,0,0,0,0|1,0,1]=4 13715 B12R1.28 CCCC#Cc1cccc(O)c1 Amb24568856 [0,2,0,0,0,0|1,0,1]=4 13716 B12R1.28 CCCCCc1cccc(F)c1 Amb22235097 [0,2,0,0,0,0|1,0,0]=3 13717 B12R1.28 CCCCCc1cccc(O)c1 Amb8388639 [0,2,0,0,0,0|1,0,0]=3 13718 B12R1.28 CCCCNc1cc(N)ccn1 Amb17334646 [0,2,0,0,0,0|2,0,0]=4 13719 B12R1.28 CCCCNc1cccc(Br)c1 Amb6696673 [0,2,0,0,0,0|1,0,0]=3 13720 B12R1.28 CCCCNc1cccc(C)c1 Amb6684517 [0,2,0,0,0,0|1,0,0]=3 13721 B12R1.28 CCCCNc1cccc(Cl)c1 Amb6695729 [0,2,0,0,0,0|1,0,0]=3 13722 B12R1.28 CCCCNc1cccc(F)c1 Amb6695886 [0,2,0,0,0,0|1,0,0]=3 13723 B12R1.28 CCCCNc1cccc(F)n1 Amb18177869 [0,2,0,0,0,0|2,0,0]=4 13724 B12R1.28 CCCCNc1cccc(I)c1 Amb19232035 [0,2,0,0,0,0|1,0,0]=3 13725 B12R1.28 CCCCNc1cccc(I)c1 Amb7760185 [0,2,0,0,0,0|1,0,0]=3 13726 B12R1.28 CCCCNc1cccc(N)n1 Amb28042682 [0,2,0,0,0,0|2,0,0]=4 13727 B12R1.28 CCCCNc1ccnc(Br)c1 Amb28044099 [0,2,0,0,0,0|2,0,0]=4 13728 B12R1.28 CCCCNc1ccnc(Cl)c1 Amb28078269 [0,2,0,0,0,0|2,0,0]=4 13729 B12R1.28 CCCCNc1cncc(Br)c1 Amb23450120 [0,2,0,0,0,0|2,0,0]=4 13730 B12R1.28 CCCCNc1cncc(F)c1 Amb27984465 [0,2,0,0,0,0|2,0,0]=4 13731 B12R1.28 CCCCNc1cncc(N)c1 Amb27416635 [0,2,0,0,0,0|2,0,0]=4 13732 B12R1.28 CCCCOc1cc(Br)ccn1 Amb22276477 [0,2,0,0,0,0|2,0,0]=4 13733 B12R1.28 CCCCOc1cc(Cl)ccn1 Amb22276195 [0,2,0,0,0,0|2,0,0]=4 13734 B12R1.28 CCCCOc1cc(N)ccn1 Amb18798584 [0,2,0,0,0,0|2,0,0]=4 13735 B12R1.28 CCCCOc1cccc(Br)c1 Amb6665074 [0,2,0,0,0,0|1,0,0]=3 13736 B12R1.28 CCCCOc1cccc(Br)n1 Amb19959446 [0,2,0,0,0,0|2,0,0]=4 13737 B12R1.28 CCCCOc1cccc(N)c1 Amb1132055 [0,2,0,0,0,0|1,0,0]=3 13738 B12R1.28 CCCCOc1cccc(N)c1 Amb2140562 [0,2,0,0,0,0|1,0,0]=3 13739 B12R1.28 CCCCOc1cccc(O)c1 Amb3939658 [0,2,0,0,0,0|1,0,0]=3 13740 B12R1.28 CCCCOc1cccc([NH3+])c1 Amb22483190 [0,2,0,0,0,0|1,0,0]=3 13741 B12R1.28 CCCCSc1cc(Cl)ccn1 Amb22236363 [0,2,0,0,0,0|2,0,0]=4 13742 B12R1.28 CCCNCC1=CC=CC(=O)N1 Amb32721815 [0,2,0,0,0,0|2,0,0]=4 13743 B12R1.28 CCCNCc1cccc(Br)c1 Amb1922696 [0,2,0,0,0,0|1,0,0]=3 13744 B12R1.28 CCCNCc1cccc(Br)c1 Amb6864727 [0,2,0,0,0,0|1,0,0]=3 13745 B12R1.28 CCCNCc1cccc(C)c1 Amb20673492 [0,2,0,0,0,0|1,0,0]=3 13746 B12R1.28 CCCNCc1cccc(C)c1 Amb6268946 [0,2,0,0,0,0|1,0,0]=3 13747 B12R1.28 CCCNCc1cccc(C)n1 Amb2592512 [0,2,0,0,0,0|2,0,0]=4 13748 B12R1.28 CCCNCc1cccc(Cl)c1 Amb1923473 [0,2,0,0,0,0|1,0,0]=3 13749 B12R1.28 CCCNCc1cccc(Cl)c1 Amb6865252 [0,2,0,0,0,0|1,0,0]=3 13750 B12R1.28 CCCNCc1cccc(F)c1 Amb20673497 [0,2,0,0,0,0|1,0,0]=3 13751 B12R1.28 CCCNCc1cccc(F)c1 Amb6267755 [0,2,0,0,0,0|1,0,0]=3 13752 B12R1.28 CCCNCc1cccc(O)c1 Amb20673478 [0,2,0,0,0,0|1,0,0]=3 13753 B12R1.28 CCCNCc1cccc(O)c1 Amb6263095 [0,2,0,0,0,0|1,0,0]=3 13754 B12R1.28 CCCNCc1cncc(Br)c1 Amb9214731 [0,2,0,0,0,0|2,0,0]=4 13755 B12R1.28 CCCOCc1cccc(N)c1 Amb8874545 [0,2,0,0,0,0|1,0,0]=3 13756 B12R1.28 CCC\N=C\c1cccc(Br)c1 Amb27762898 [0,2,0,0,0,0|1,0,1]=4 13757 B12R1.28 CCNCCc1cccc(Br)c1 Amb17407066 [0,2,0,0,0,0|1,0,0]=3 13758 B12R1.28 CCNCCc1cccc(C)c1 Amb17193871 [0,2,0,0,0,0|1,0,0]=3 13759 B12R1.28 CCNCCc1cccc(Cl)c1 Amb5785538 [0,2,0,0,0,0|1,0,0]=3 13760 B12R1.28 CCNCCc1cccc(F)c1 Amb8841507 [0,2,0,0,0,0|1,0,0]=3 13761 B12R1.28 CCNCCc1cccc(N)c1 Amb18550383 [0,2,0,0,0,0|1,0,0]=3 13762 B12R1.28 CNCCCc1cccc(Br)c1 Amb17104522 [0,2,0,0,0,0|1,0,0]=3 13763 B12R1.28 CNCCCc1cccc(C)c1 Amb17104500 [0,2,0,0,0,0|1,0,0]=3 13764 B12R1.28 CNCCCc1cccc(Cl)c1 Amb17104508 [0,2,0,0,0,0|1,0,0]=3 13765 B12R1.28 CNCCCc1cccc(F)c1 Amb17605539 [0,2,0,0,0,0|1,0,0]=3 13766 B12R1.28 CNCCNc1cccc(Cl)c1 Amb19025283 [0,2,0,0,0,0|2,0,0]=4 13767 B12R1.28 CNCCNc1cccc(F)c1 Amb19025285 [0,2,0,0,0,0|2,0,0]=4 13768 B12R1.28 CNCCOc1cccc(Br)c1 Amb7760944 [0,2,0,0,0,0|2,0,0]=4 13769 B12R1.28 CNCCOc1cccc(C)c1 Amb1670237 [0,2,0,0,0,0|2,0,0]=4 13770 B12R1.28 CNCCOc1cccc(C)c1 Amb2140579 [0,2,0,0,0,0|2,0,0]=4 13771 B12R1.28 CNCCOc1cccc(Cl)c1 Amb1106194 [0,2,0,0,0,0|2,0,0]=4 13772 B12R1.28 CNCCOc1cccc(F)c1 Amb2132298 [0,2,0,0,0,0|2,0,0]=4 13773 B12R1.28 CNCCOc1cccc(F)c1 Amb857098 [0,2,0,0,0,0|2,0,0]=4 13774 B12R1.28 CNCCOc1cccc(N)c1 Amb17232614 [0,2,0,0,0,0|2,0,0]=4 13775 B12R1.28 COCC#Cc1cccc(Br)c1 Amb27621469 [0,2,0,0,0,0|0,0,2]=4 13776 B12R1.28 COCC#Cc1cccc(C)c1 Amb25125980 [0,2,0,0,0,0|0,0,2]=4 13777 B12R1.28 COCC#Cc1cccc(Cl)c1 Amb24436599 [0,2,0,0,0,0|0,0,2]=4 13778 B12R1.28 COCC#Cc1cccc(F)c1 Amb27221547 [0,2,0,0,0,0|0,0,2]=4 13779 B12R1.28 COCC#Cc1cccc(N)c1 Amb27868724 [0,2,0,0,0,0|0,0,2]=4 13780 B12R1.28 COCC#Cc1cccc(O)c1 Amb25156562 [0,2,0,0,0,0|0,0,2]=4 13781 B12R1.28 COCCNc1cc(C)ccn1 Amb18798581 [0,2,0,0,0,0|2,0,0]=4 13782 B12R1.28 COCCNc1cc(N)ccn1 Amb17334706 [0,2,0,0,0,0|2,0,0]=4 13783 B12R1.28 COCCNc1cccc(Br)c1 Amb6712246 [0,2,0,0,0,0|1,0,0]=3 13784 B12R1.28 COCCNc1cccc(Br)n1 Amb28364866 [0,2,0,0,0,0|2,0,0]=4 13785 B12R1.28 COCCNc1cccc(C)c1 Amb6706720 [0,2,0,0,0,0|1,0,0]=3 13786 B12R1.28 COCCNc1cccc(Cl)c1 Amb6711841 [0,2,0,0,0,0|1,0,0]=3 13787 B12R1.28 COCCNc1cccc(Cl)n1 Amb21958803 [0,2,0,0,0,0|2,0,0]=4 13788 B12R1.28 COCCNc1cccc(F)c1 Amb6711904 [0,2,0,0,0,0|1,0,0]=3 13789 B12R1.28 COCCNc1cccc(I)c1 Amb7763650 [0,2,0,0,0,0|1,0,0]=3 13790 B12R1.28 COCCNc1ccnc(Cl)c1 Amb27461639 [0,2,0,0,0,0|2,0,0]=4 13791 B12R1.28 COCCNc1ccnc(F)c1 Amb27412834 [0,2,0,0,0,0|2,0,0]=4 13792 B12R1.28 COCCNc1ccnc(N)c1 Amb26605518 [0,2,0,0,0,0|2,0,0]=4 13793 B12R1.28 COCCNc1cncc(Br)c1 Amb27416629 [0,2,0,0,0,0|2,0,0]=4 13794 B12R1.28 COCCNc1cncc(Cl)c1 Amb35706922 [0,2,0,0,0,0|2,0,0]=4 13795 B12R1.28 COCCNc1cncc(N)c1 Amb23454675 [0,2,0,0,0,0|2,0,0]=4 13796 B12R1.28 COCCOc1cc(Br)ccn1 Amb22276471 [0,2,0,0,0,0|2,0,0]=4 13797 B12R1.28 COCCOc1cc(Cl)ccn1 Amb22276482 [0,2,0,0,0,0|2,0,0]=4 13798 B12R1.28 COCCOc1cc(N)ccn1 Amb18799036 [0,2,0,0,0,0|2,0,0]=4 13799 B12R1.28 COCCOc1cccc(Br)c1 Amb6256783 [0,2,0,0,0,0|1,0,0]=3 13800 B12R1.28 COCCOc1cccc(Br)n1 Amb33495168 [0,2,0,0,0,0|2,0,0]=4 13801 B12R1.28 COCCOc1cccc(I)c1 Amb32414014 [0,2,0,0,0,0|1,0,0]=3 13802 B12R1.28 COCCOc1cccc(N)c1 Amb1995345 [0,2,0,0,0,0|1,0,0]=3 13803 B12R1.28 COCCOc1cccc(N)c1 Amb2189171 [0,2,0,0,0,0|1,0,0]=3 13804 B12R1.28 COCCOc1cccc(O)c1 Amb9211000 [0,2,0,0,0,0|1,0,0]=3 13805 B12R1.28 COCCOc1ccnc(Cl)c1 Amb32412903 [0,2,0,0,0,0|2,0,0]=4 13806 B12R1.28 COCCOc1cncc(Br)c1 Amb22276360 [0,2,0,0,0,0|2,0,0]=4 13807 B12R1.28 COCOCc1cccc(F)c1 Amb28464085 [0,2,0,0,0,0|1,0,0]=3 13808 B12R1.28 CSCCNc1cccc(Cl)c1 Amb27799357 [0,2,0,0,0,0|1,1,0]=4 13809 B12R1.28 CSCCNc1cccc(N)c1 Amb27975120 [0,2,0,0,0,0|1,1,0]=4 13810 B12R1.28 CSCCOc1cccc(N)c1 Amb17504021 [0,2,0,0,0,0|1,1,0]=4 13811 B12R1.28 Cc1cc(CCCC=O)ccn1 Amb32733004 [0,2,0,0,0,0|1,0,1]=4 13812 B12R1.28 Cc1cc(CCCCN)ccn1 Amb32733007 [0,2,0,0,0,0|2,0,0]=4 13813 B12R1.28 Cc1cc(OCCCN)ccn1 Amb32954242 [0,2,0,0,0,0|2,0,0]=4 13814 B12R1.28 Cc1cccc(CCCC#N)c1 Amb25921744 [0,2,0,0,0,0|1,0,0]=3 13815 B12R1.28 Cc1cccc(CCCC#N)n1 Amb4097936 [0,2,0,0,0,0|2,0,0]=4 13816 B12R1.28 Cc1cccc(CCCC=O)c1 Amb33474174 [0,2,0,0,0,0|0,0,1]=3 13817 B12R1.28 Cc1cccc(CCCC=O)n1 Amb33079845 [0,2,0,0,0,0|1,0,1]=4 13818 B12R1.28 Cc1cccc(CCCCBr)c1 Amb34914030 [0,2,0,0,0,0|1,0,0]=3 13819 B12R1.28 Cc1cccc(CCCCI)c1 Amb34914023 [0,2,0,0,0,0|1,0,0]=3 13820 B12R1.28 Cc1cccc(CCCCN)c1 Amb5735493 [0,2,0,0,0,0|1,0,0]=3 13821 B12R1.28 Cc1cccc(CCCCN)n1 Amb33172172 [0,2,0,0,0,0|2,0,0]=4 13822 B12R1.28 Cc1cccc(CCCCO)c1 Amb34913399 [0,2,0,0,0,0|0,0,0]=2 13823 B12R1.28 Cc1cccc(CCCCO)n1 Amb23441243 [0,2,0,0,0,0|1,0,0]=3 13824 B12R1.28 Cc1cccc(CCCCS)c1 Amb18564155 [0,2,0,0,0,0|0,1,0]=3 13825 B12R1.28 Cc1cccc(CCCON)c1 Amb17089550 [0,2,0,0,0,0|0,0,0]=2 13826 B12R1.28 Cc1cccc(CCN=C=O)c1 Amb17232366 [0,2,0,0,0,0|0,0,2]=4 13827 B12R1.28 Cc1cccc(CCN=C=S)c1 Amb17233309 [0,2,0,0,0,0|0,1,1]=4 13828 B12R1.28 Cc1cccc(CCN=[N+]=[N-])c1 Amb27638050 [0,2,0,0,0,0|2,0,0]=4 13829 B12R1.28 Cc1cccc(CNCC#N)c1 Amb17400075 [0,2,0,0,0,0|1,0,1]=4 13830 B12R1.28 Cc1cccc(CNCCN)c1 Amb10075511 [0,2,0,0,0,0|1,0,0]=3 13831 B12R1.28 Cc1cccc(CNCCO)c1 Amb28872365 [0,2,0,0,0,0|0,0,0]=2 13832 B12R1.28 Cc1cccc(CNCCO)c1 Amb7757042 [0,2,0,0,0,0|0,0,0]=2 13833 B12R1.28 Cc1cccc(CNCCO)n1 Amb2592517 [0,2,0,0,0,0|1,0,0]=3 13834 B12R1.28 Cc1cccc(COCCN)c1 Amb17061815 [0,2,0,0,0,0|1,0,0]=3 13835 B12R1.28 Cc1cccc(CSCC=O)c1 Amb18184910 [0,2,0,0,0,0|0,0,2]=4 13836 B12R1.28 Cc1cccc(CSCCN)c1 Amb6384541 [0,2,0,0,0,0|1,0,0]=3 13837 B12R1.28 Cc1cccc(CSCCN)c1 Amb844774 [0,2,0,0,0,0|1,0,0]=3 13838 B12R1.28 Cc1cccc(CSCCO)c1 Amb9273886 [0,2,0,0,0,0|0,0,0]=2 13839 B12R1.28 Cc1cccc(NCCC#N)c1 Amb1647378 [0,2,0,0,0,0|1,0,1]=4 13840 B12R1.28 Cc1cccc(NCCCN)c1 Amb17057722 [0,2,0,0,0,0|1,0,0]=3 13841 B12R1.28 Cc1cccc(NCCCN)n1 Amb19005111 [0,2,0,0,0,0|2,0,0]=4 13842 B12R1.28 Cc1cccc(OCCC#N)c1 Amb6666561 [0,2,0,0,0,0|1,0,1]=4 13843 B12R1.28 Cc1cccc(OCCC=O)c1 Amb5731760 [0,2,0,0,0,0|0,0,2]=4 13844 B12R1.28 Cc1cccc(OCCCBr)c1 Amb1675755 [0,2,0,0,0,0|1,0,0]=3 13845 B12R1.28 Cc1cccc(OCCCCl)c1 Amb1138744 [0,2,0,0,0,0|1,0,0]=3 13846 B12R1.28 Cc1cccc(OCCCN)c1 Amb1108604 [0,2,0,0,0,0|1,0,0]=3 13847 B12R1.28 Cc1cccc(OCCCN)c1 Amb1221739 [0,2,0,0,0,0|1,0,0]=3 13848 B12R1.28 Cc1cccc(OCCCN)n1 Amb19020907 [0,2,0,0,0,0|2,0,0]=4 13849 B12R1.28 Cc1cccc(OCCCO)c1 Amb9004309 [0,2,0,0,0,0|0,0,0]=2 13850 B12R1.28 Cc1cccc(OCCCS)c1 Amb6255373 [0,2,0,0,0,0|0,1,0]=3 13851 B12R1.28 Cc1cccc(OCCNN)c1 Amb17400212 [0,2,0,0,0,0|2,0,0]=4 13852 B12R1.28 Cc1cccc(OCCNO)c1 Amb17088415 [0,2,0,0,0,0|1,0,0]=3 13853 B12R1.28 Cc1cccc(OCCON)c1 Amb17088289 [0,2,0,0,0,0|1,0,0]=3 13854 B12R1.28 Cc1cccc(SCCC#N)c1 Amb18790888 [0,2,0,0,0,0|1,0,1]=4 13855 B12R1.28 Cc1cccc(SCCC=O)c1 Amb17082972 [0,2,0,0,0,0|0,0,2]=4 13856 B12R1.28 Cc1cccc(SCCCN)c1 Amb17083071 [0,2,0,0,0,0|1,0,0]=3 13857 B12R1.28 Cc1cccc(\C=C\CCBr)c1 Amb17246877 [0,2,0,0,0,0|1,0,1]=4 13858 B12R1.28 Cc1cccc(\C=C\CCCl)c1 Amb17233778 [0,2,0,0,0,0|1,0,1]=4 13859 B12R1.28 Cc1cccc(\C=C\CCN)c1 Amb17232387 [0,2,0,0,0,0|1,0,1]=4 13860 B12R1.28 Cc1ccnc(CCCC=O)c1 Amb33317810 [0,2,0,0,0,0|1,0,1]=4 13861 B12R1.28 Cc1ccnc(CCCCN)c1 Amb18828700 [0,2,0,0,0,0|2,0,0]=4 13862 B12R1.28 Cc1ccnc(NCCCCl)c1 Amb27394933 [0,2,0,0,0,0|2,0,0]=4 13863 B12R1.28 Cc1ccnc(NCCCN)c1 Amb18798447 [0,2,0,0,0,0|2,0,0]=4 13864 B12R1.28 Cc1ccnc(NCCCO)n1 Amb19035257 [0,2,0,0,0,0|2,0,0]=4 13865 B12R1.28 Cc1ccnc(OCCCN)c1 Amb18308526 [0,2,0,0,0,0|2,0,0]=4 13866 B12R1.28 Cc1cncc(CCCC=O)c1 Amb33317644 [0,2,0,0,0,0|1,0,1]=4 13867 B12R1.28 Cc1cncc(CCCCN)c1 Amb33317648 [0,2,0,0,0,0|2,0,0]=4 13868 B12R1.28 Cc1cncc(OCCCN)c1 Amb33226787 [0,2,0,0,0,0|2,0,0]=4 13869 B12R1.28 Cc1nccc(NCCCO)n1 Amb19031140 [0,2,0,0,0,0|2,0,0]=4 13870 B12R1.28 ClCCC#Cc1cccc(Br)c1 Amb35656656 [0,2,0,0,0,0|1,0,1]=4 13871 B12R1.28 ClCCCNc1cccc(Cl)c1 Amb27759269 [0,2,0,0,0,0|1,0,0]=3 13872 B12R1.28 ClCCCOc1cccc(Br)c1 Amb1128139 [0,2,0,0,0,0|1,0,0]=3 13873 B12R1.28 ClCCCOc1cccc(Cl)c1 Amb1126449 [0,2,0,0,0,0|1,0,0]=3 13874 B12R1.28 ClCC\C=C\c1cccc(Br)c1 Amb29880786 [0,2,0,0,0,0|1,0,1]=4 13875 B12R1.28 ClCC\C=C\c1cccc(Cl)c1 Amb17237227 [0,2,0,0,0,0|1,0,1]=4 13876 B12R1.28 Clc1cccc(CCCCBr)c1 Amb32668134 [0,2,0,0,0,0|1,0,0]=3 13877 B12R1.28 Clc1cccc(OCCCBr)c1 Amb8517102 [0,2,0,0,0,0|1,0,0]=3 13878 B12R1.28 Clc1cccc(\C=C\CCBr)c1 Amb17258090 [0,2,0,0,0,0|1,0,1]=4 13879 B12R1.28 FCCCNc1cccc(Cl)n1 Amb28283383 [0,2,0,0,0,0|2,0,0]=4 13880 B12R1.28 FCCCNc1cccc(I)c1 Amb28206460 [0,2,0,0,0,0|1,0,0]=3 13881 B12R1.28 FCCCNc1ccnc(Cl)c1 Amb28283535 [0,2,0,0,0,0|2,0,0]=4 13882 B12R1.28 FCCCNc1ccnc(F)c1 Amb27404822 [0,2,0,0,0,0|2,0,0]=4 13883 B12R1.28 FCCCNc1cncc(Cl)c1 Amb35706926 [0,2,0,0,0,0|2,0,0]=4 13884 B12R1.28 FCCCOc1cc(Br)ccn1 Amb32411102 [0,2,0,0,0,0|2,0,0]=4 13885 B12R1.28 Fc1cccc(CCCCBr)c1 Amb34914038 [0,2,0,0,0,0|1,0,0]=3 13886 B12R1.28 Fc1cccc(CCCCS)c1 Amb18564294 [0,2,0,0,0,0|0,1,0]=3 13887 B12R1.28 Fc1cccc(CSCCCl)c1 Amb535067 [0,2,0,0,0,0|1,0,0]=3 13888 B12R1.28 Fc1cccc(OCCCBr)c1 Amb9209725 [0,2,0,0,0,0|1,0,0]=3 13889 B12R1.28 Fc1cccc(OCCCCl)c1 Amb1129297 [0,2,0,0,0,0|1,0,0]=3 13890 B12R1.28 Fc1cccc(OCCCS)c1 Amb17234297 [0,2,0,0,0,0|0,1,0]=3 13891 B12R1.28 Fc1cccc(\C=C\CCBr)c1 Amb17248421 [0,2,0,0,0,0|1,0,1]=4 13892 B12R1.28 Fc1cccc(\C=C\CCCl)c1 Amb17234151 [0,2,0,0,0,0|1,0,1]=4 13893 B12R1.28 N#CCCCc1cccc(Br)c1 Amb25890631 [0,2,0,0,0,0|1,0,0]=3 13894 B12R1.28 N#CCCCc1cccc(Cl)c1 Amb25891931 [0,2,0,0,0,0|1,0,0]=3 13895 B12R1.28 N#CCCCc1cccc(F)c1 Amb27412306 [0,2,0,0,0,0|1,0,0]=3 13896 B12R1.28 N#CCCCc1cccc(O)c1 Amb25982049 [0,2,0,0,0,0|1,0,0]=3 13897 B12R1.28 N#CCCNc1cccc(Br)c1 Amb7094568 [0,2,0,0,0,0|1,0,1]=4 13898 B12R1.28 N#CCCNc1cccc(Cl)c1 Amb1647289 [0,2,0,0,0,0|1,0,1]=4 13899 B12R1.28 N#CCCNc1cccc(F)c1 Amb8827880 [0,2,0,0,0,0|1,0,1]=4 13900 B12R1.28 N#CCCNc1cccc(O)c1 Amb17142902 [0,2,0,0,0,0|1,0,1]=4 13901 B12R1.28 N#CCCOc1cccc(Br)c1 Amb6261281 [0,2,0,0,0,0|1,0,1]=4 13902 B12R1.28 N#CCCOc1cccc(Cl)c1 Amb6256724 [0,2,0,0,0,0|1,0,1]=4 13903 B12R1.28 N#CCCOc1cccc(F)c1 Amb6261429 [0,2,0,0,0,0|1,0,1]=4 13904 B12R1.28 N#CCCSc1cccc(O)c1 Amb28189958 [0,2,0,0,0,0|1,0,1]=4 13905 B12R1.28 N#CCNCc1cccc(Cl)c1 Amb2416269 [0,2,0,0,0,0|1,0,1]=4 13906 B12R1.28 N#CCNCc1cccc(O)c1 Amb27422125 [0,2,0,0,0,0|1,0,1]=4 13907 B12R1.28 N#CCOCc1cccc(Cl)c1 Amb28248848 [0,2,0,0,0,0|1,0,1]=4 13908 B12R1.28 N#CCSCc1cccc(Br)c1 Amb28207940 [0,2,0,0,0,0|1,0,1]=4 13909 B12R1.28 N#CCSCc1cccc(Cl)c1 Amb17501727 [0,2,0,0,0,0|1,0,1]=4 13910 B12R1.28 N#CCSCc1cccc(F)c1 Amb17501763 [0,2,0,0,0,0|1,0,1]=4 13911 B12R1.28 N#CCSCc1cccc(N)c1 Amb27984167 [0,2,0,0,0,0|1,0,1]=4 13912 B12R1.28 N#CNCCc1cccc(F)c1 Amb18800780 [0,2,0,0,0,0|1,0,1]=4 13913 B12R1.28 NCCC#Cc1cccc(Br)c1 Amb35605477 [0,2,0,0,0,0|1,0,1]=4 13914 B12R1.28 NCCC#Cc1cccc(F)c1 Amb28061681 [0,2,0,0,0,0|1,0,1]=4 13915 B12R1.28 NCCCCc1cc(F)ccn1 Amb33325521 [0,2,0,0,0,0|2,0,0]=4 13916 B12R1.28 NCCCCc1cccc(Br)c1 Amb18549204 [0,2,0,0,0,0|1,0,0]=3 13917 B12R1.28 NCCCCc1cccc(Br)n1 Amb33433540 [0,2,0,0,0,0|2,0,0]=4 13918 B12R1.28 NCCCCc1cccc(Cl)c1 Amb5735502 [0,2,0,0,0,0|1,0,0]=3 13919 B12R1.28 NCCCCc1cccc(Cl)n1 Amb33222639 [0,2,0,0,0,0|2,0,0]=4 13920 B12R1.28 NCCCCc1cccc(F)c1 Amb18563815 [0,2,0,0,0,0|1,0,0]=3 13921 B12R1.28 NCCCCc1cccc(O)c1 Amb32954959 [0,2,0,0,0,0|1,0,0]=3 13922 B12R1.28 NCCCCc1ccnc(N)c1 Amb30584932 [0,2,0,0,0,0|2,0,0]=4 13923 B12R1.28 NCCCCc1ccnc(N)c1 Amb32674913 [0,2,0,0,0,0|2,0,0]=4 13924 B12R1.28 NCCCCc1cncc(Br)c1 Amb33451436 [0,2,0,0,0,0|2,0,0]=4 13925 B12R1.28 NCCCCc1cncc(F)c1 Amb33195633 [0,2,0,0,0,0|2,0,0]=4 13926 B12R1.28 NCCCNc1cccc(Br)c1 Amb26015621 [0,2,0,0,0,0|1,0,0]=3 13927 B12R1.28 NCCCNc1cccc(Cl)c1 Amb17057728 [0,2,0,0,0,0|1,0,0]=3 13928 B12R1.28 NCCCNc1cccc(F)c1 Amb17057725 [0,2,0,0,0,0|1,0,0]=3 13929 B12R1.28 NCCCNc1cccc(F)c1 Amb33535186 [0,2,0,0,0,0|1,0,0]=3 13930 B12R1.28 NCCCNc1ccnc(Cl)c1 Amb28140363 [0,2,0,0,0,0|2,0,0]=4 13931 B12R1.28 NCCCNc1cncc(Cl)c1 Amb35733494 [0,2,0,0,0,0|2,0,0]=4 13932 B12R1.28 NCCCOc1cc(Br)ccn1 Amb22276283 [0,2,0,0,0,0|2,0,0]=4 13933 B12R1.28 NCCCOc1cc(Cl)ccn1 Amb22276287 [0,2,0,0,0,0|2,0,0]=4 13934 B12R1.28 NCCCOc1cc(F)ccn1 Amb33325110 [0,2,0,0,0,0|2,0,0]=4 13935 B12R1.28 NCCCOc1cccc(Br)c1 Amb6273208 [0,2,0,0,0,0|1,0,0]=3 13936 B12R1.28 NCCCOc1cccc(Br)n1 Amb33241908 [0,2,0,0,0,0|2,0,0]=4 13937 B12R1.28 NCCCOc1cccc(Cl)c1 Amb6281701 [0,2,0,0,0,0|1,0,0]=3 13938 B12R1.28 NCCCOc1cccc(Cl)c1 Amb6760501 [0,2,0,0,0,0|1,0,0]=3 13939 B12R1.28 NCCCOc1cccc(Cl)n1 Amb33262576 [0,2,0,0,0,0|2,0,0]=4 13940 B12R1.28 NCCCOc1cccc(F)c1 Amb1140971 [0,2,0,0,0,0|1,0,0]=3 13941 B12R1.28 NCCCOc1cccc(F)c1 Amb30584827 [0,2,0,0,0,0|1,0,0]=3 13942 B12R1.28 NCCCOc1cccc(O)c1 Amb33474154 [0,2,0,0,0,0|1,0,0]=3 13943 B12R1.28 NCCCOc1ccnc(Cl)c1 Amb33052735 [0,2,0,0,0,0|2,0,0]=4 13944 B12R1.28 NCCCOc1cncc(Br)c1 Amb33451074 [0,2,0,0,0,0|2,0,0]=4 13945 B12R1.28 NCCCOc1cncc(F)c1 Amb33197137 [0,2,0,0,0,0|2,0,0]=4 13946 B12R1.28 NCCCSc1cccc(Cl)c1 Amb17083080 [0,2,0,0,0,0|1,0,0]=3 13947 B12R1.28 NCCNCc1cccc(Br)c1 Amb19005476 [0,2,0,0,0,0|1,0,0]=3 13948 B12R1.28 NCCNCc1cccc(Cl)c1 Amb10075509 [0,2,0,0,0,0|1,0,0]=3 13949 B12R1.28 NCCNCc1cccc(Cl)c1 Amb29844473 [0,2,0,0,0,0|1,0,0]=3 13950 B12R1.28 NCCNCc1cccc(F)c1 Amb10075489 [0,2,0,0,0,0|1,0,0]=3 13951 B12R1.28 NCCNCc1cccc(F)c1 Amb29844479 [0,2,0,0,0,0|1,0,0]=3 13952 B12R1.28 NCCNCc1cccc(O)c1 Amb19005503 [0,2,0,0,0,0|1,0,0]=3 13953 B12R1.28 NCCOCc1cccc(Br)c1 Amb17061821 [0,2,0,0,0,0|1,0,0]=3 13954 B12R1.28 NCCOCc1cccc(Cl)c1 Amb17061820 [0,2,0,0,0,0|1,0,0]=3 13955 B12R1.28 NCCOCc1cccc(Cl)c1 Amb33550341 [0,2,0,0,0,0|1,0,0]=3 13956 B12R1.28 NCCOCc1cccc(F)c1 Amb17061818 [0,2,0,0,0,0|1,0,0]=3 13957 B12R1.28 NCCSCc1cccc(Br)c1 Amb6270677 [0,2,0,0,0,0|1,0,0]=3 13958 B12R1.28 NCCSCc1cccc(Cl)c1 Amb6384537 [0,2,0,0,0,0|1,0,0]=3 13959 B12R1.28 NCCSCc1cccc(Cl)c1 Amb844820 [0,2,0,0,0,0|1,0,0]=3 13960 B12R1.28 NCCSCc1cccc(F)c1 Amb6263657 [0,2,0,0,0,0|1,0,0]=3 13961 B12R1.28 NCCSCc1cccc(I)c1 Amb28989359 [0,2,0,0,0,0|1,0,0]=3 13962 B12R1.28 NCCSCc1ccnc(Cl)c1 Amb19023098 [0,2,0,0,0,0|2,0,0]=4 13963 B12R1.28 NCC\C=C\c1cccc(Br)c1 Amb26564163 [0,2,0,0,0,0|1,0,1]=4 13964 B12R1.28 NCC\C=C\c1cccc(Cl)c1 Amb17233875 [0,2,0,0,0,0|1,0,1]=4 13965 B12R1.28 NCC\C=C\c1cccc(F)c1 Amb17232532 [0,2,0,0,0,0|1,0,1]=4 13966 B12R1.28 NNCCCc1cccc(Br)c1 Amb33263663 [0,2,0,0,0,0|1,0,0]=3 13967 B12R1.28 NNCCOc1cccc(Br)c1 Amb1116522 [0,2,0,0,0,0|2,0,0]=4 13968 B12R1.28 NNCCOc1cccc(Cl)c1 Amb17401092 [0,2,0,0,0,0|2,0,0]=4 13969 B12R1.28 NNCCOc1cccc(F)c1 Amb17400322 [0,2,0,0,0,0|2,0,0]=4 13970 B12R1.28 NOCC#Cc1cccc(F)c1 Amb24689943 [0,2,0,0,0,0|0,0,2]=4 13971 B12R1.28 NOCCCc1cccc(Br)c1 Amb17089578 [0,2,0,0,0,0|0,0,0]=2 13972 B12R1.28 NOCCCc1cccc(Cl)c1 Amb17089559 [0,2,0,0,0,0|0,0,0]=2 13973 B12R1.28 NOCCCc1cccc(O)c1 Amb17089577 [0,2,0,0,0,0|0,0,0]=2 13974 B12R1.28 NOCCOc1cccc(Br)c1 Amb17088298 [0,2,0,0,0,0|1,0,0]=3 13975 B12R1.28 NOCCOc1cccc(Cl)c1 Amb17088295 [0,2,0,0,0,0|1,0,0]=3 13976 B12R1.28 NOCCOc1cccc(F)c1 Amb17088292 [0,2,0,0,0,0|1,0,0]=3 13977 B12R1.28 Nc1cc(CSCCO)ccn1 Amb18311356 [0,2,0,0,0,0|1,0,0]=3 13978 B12R1.28 Nc1cccc(OCCCF)c1 Amb23539406 [0,2,0,0,0,0|1,0,0]=3 13979 B12R1.28 Nc1cccc(OCCCO)c1 Amb8868223 [0,2,0,0,0,0|0,0,0]=2 13980 B12R1.28 Nc1ccnc(NCCCF)c1 Amb27436125 [0,2,0,0,0,0|2,0,0]=4 13981 B12R1.28 Nc1ccnc(NCCCO)n1 Amb28411629 [0,2,0,0,0,0|2,0,0]=4 13982 B12R1.28 Nc1ccnc(OCCCO)c1 Amb18799037 [0,2,0,0,0,0|1,0,0]=3 13983 B12R1.28 Nc1cncc(NCCCF)c1 Amb27168960 [0,2,0,0,0,0|2,0,0]=4 13984 B12R1.28 Nc1nccc(NCCCO)n1 Amb27231168 [0,2,0,0,0,0|2,0,0]=4 13985 B12R1.28 O=C1C=C(NCCCO)N=CN1 Amb28410861 [0,2,0,0,0,0|2,0,0]=4 13986 B12R1.28 O=C1C=CC=C(C#CCCO)N1 Amb27761155 [0,2,0,0,0,0|1,0,1]=4 13987 B12R1.28 O=C1N=C(NCCCO)C=CN1 Amb28078058 [0,2,0,0,0,0|2,0,0]=4 13988 B12R1.28 O=C=NCCc1cccc(Br)c1 Amb17247243 [0,2,0,0,0,0|0,0,2]=4 13989 B12R1.28 O=C=NCCc1cccc(Cl)c1 Amb5750734 [0,2,0,0,0,0|0,0,2]=4 13990 B12R1.28 O=C=NCCc1cccc(F)c1 Amb24392961 [0,2,0,0,0,0|0,0,2]=4 13991 B12R1.28 O=CCCCc1cc(F)ccn1 Amb33325514 [0,2,0,0,0,0|1,0,1]=4 13992 B12R1.28 O=CCCCc1cccc(Br)c1 Amb18048776 [0,2,0,0,0,0|0,0,1]=3 13993 B12R1.28 O=CCCCc1cccc(Br)n1 Amb33451063 [0,2,0,0,0,0|1,0,1]=4 13994 B12R1.28 O=CCCCc1cccc(Cl)c1 Amb33406790 [0,2,0,0,0,0|0,0,1]=3 13995 B12R1.28 O=CCCCc1cccc(Cl)n1 Amb33222660 [0,2,0,0,0,0|1,0,1]=4 13996 B12R1.28 O=CCCCc1cccc(F)c1 Amb33449550 [0,2,0,0,0,0|0,0,1]=3 13997 B12R1.28 O=CCCCc1cccc(O)c1 Amb33358761 [0,2,0,0,0,0|0,0,1]=3 13998 B12R1.28 O=CCCCc1cncc(Br)c1 Amb33450752 [0,2,0,0,0,0|1,0,1]=4 13999 B12R1.28 O=CCCCc1cncc(F)c1 Amb33195629 [0,2,0,0,0,0|1,0,1]=4 14000 B12R1.28 O=CCCOc1cccc(I)c1 Amb33307154 [0,2,0,0,0,0|0,0,2]=4 14001 B12R1.28 O=CCCSc1cccc(Br)c1 Amb32682701 [0,2,0,0,0,0|0,0,2]=4 14002 B12R1.28 O=CCCSc1cccc(Cl)c1 Amb17082982 [0,2,0,0,0,0|0,0,2]=4 14003 B12R1.28 O=CCCSc1cccc(F)c1 Amb32682707 [0,2,0,0,0,0|0,0,2]=4 14004 B12R1.28 OCCC#Cc1cccc(Br)c1 Amb28044184 [0,2,0,0,0,0|0,0,1]=3 14005 B12R1.28 OCCCCc1cccc(Br)c1 Amb20668830 [0,2,0,0,0,0|0,0,0]=2 14006 B12R1.28 OCCCCc1cccc(Cl)c1 Amb32667642 [0,2,0,0,0,0|0,0,0]=2 14007 B12R1.28 OCCCCc1cccc(F)c1 Amb34913274 [0,2,0,0,0,0|0,0,0]=2 14008 B12R1.28 OCCCNc1cc(Br)ncn1 Amb27976330 [0,2,0,0,0,0|2,0,0]=4 14009 B12R1.28 OCCCNc1cc(Cl)ncn1 Amb18306006 [0,2,0,0,0,0|2,0,0]=4 14010 B12R1.28 OCCCNc1cc(F)ncn1 Amb27266179 [0,2,0,0,0,0|2,0,0]=4 14011 B12R1.28 OCCCNc1cccc(Cl)c1 Amb17307144 [0,2,0,0,0,0|0,0,0]=2 14012 B12R1.28 OCCCNc1cccc(Cl)n1 Amb21958816 [0,2,0,0,0,0|1,0,0]=3 14013 B12R1.28 OCCCNc1cccc(F)c1 Amb17306246 [0,2,0,0,0,0|0,0,0]=2 14014 B12R1.28 OCCCNc1ccnc(Cl)n1 Amb18308401 [0,2,0,0,0,0|2,0,0]=4 14015 B12R1.28 OCCCNc1ccnc(F)c1 Amb27204977 [0,2,0,0,0,0|1,0,0]=3 14016 B12R1.28 OCCCNc1ccnc(F)n1 Amb29855159 [0,2,0,0,0,0|2,0,0]=4 14017 B12R1.28 OCCCNc1cncc(Br)c1 Amb24410008 [0,2,0,0,0,0|1,0,0]=3 14018 B12R1.28 OCCCNc1cncc(Cl)c1 Amb35706920 [0,2,0,0,0,0|1,0,0]=3 14019 B12R1.28 OCCCNc1cncc(Cl)n1 Amb19018901 [0,2,0,0,0,0|2,0,0]=4 14020 B12R1.28 OCCCNc1cncc(F)n1 Amb29861565 [0,2,0,0,0,0|2,0,0]=4 14021 B12R1.28 OCCCOc1cccc(Br)c1 Amb9370679 [0,2,0,0,0,0|0,0,0]=2 14022 B12R1.28 OCCCOc1cccc(Cl)c1 Amb9247635 [0,2,0,0,0,0|0,0,0]=2 14023 B12R1.28 OCCCOc1cccc(Cl)n1 Amb33140929 [0,2,0,0,0,0|1,0,0]=3 14024 B12R1.28 OCCCOc1cccc(F)c1 Amb9370688 [0,2,0,0,0,0|0,0,0]=2 14025 B12R1.28 OCCCOc1cccc(I)c1 Amb9370548 [0,2,0,0,0,0|0,0,0]=2 14026 B12R1.28 OCCCOc1cncc(Br)c1 Amb32411569 [0,2,0,0,0,0|1,0,0]=3 14027 B12R1.28 OCCCOc1cncc(Cl)n1 Amb33552576 [0,2,0,0,0,0|2,0,0]=4 14028 B12R1.28 OCCNCc1cccc(Br)c1 Amb6857164 [0,2,0,0,0,0|0,0,0]=2 14029 B12R1.28 OCCNCc1cccc(Br)c1 Amb8604245 [0,2,0,0,0,0|0,0,0]=2 14030 B12R1.28 OCCNCc1cccc(Cl)c1 Amb22284257 [0,2,0,0,0,0|0,0,0]=2 14031 B12R1.28 OCCNCc1cccc(Cl)c1 Amb4303946 [0,2,0,0,0,0|0,0,0]=2 14032 B12R1.28 OCCNCc1cccc(F)c1 Amb24271193 [0,2,0,0,0,0|0,0,0]=2 14033 B12R1.28 OCCNCc1cccc(F)c1 Amb2592101 [0,2,0,0,0,0|0,0,0]=2 14034 B12R1.28 OCCNCc1cccc(O)c1 Amb7757039 [0,2,0,0,0,0|0,0,0]=2 14035 B12R1.28 OCCNCc1ccnc(Br)c1 Amb21861822 [0,2,0,0,0,0|1,0,0]=3 14036 B12R1.28 OCCNCc1cncc(Br)c1 Amb31217550 [0,2,0,0,0,0|1,0,0]=3 14037 B12R1.28 OCCNCc1cncc(Br)c1 Amb33042705 [0,2,0,0,0,0|1,0,0]=3 14038 B12R1.28 OCCOCc1cccc(F)c1 Amb32664542 [0,2,0,0,0,0|0,0,0]=2 14039 B12R1.28 OCCSCc1cccc(F)c1 Amb3568983 [0,2,0,0,0,0|0,0,0]=2 14040 B12R1.28 OCC\N=C\c1cccc(F)c1 Amb27752368 [0,2,0,0,0,0|0,0,1]=3 14041 B12R1.28 ONCCCc1cccc(Br)c1 Amb33263671 [0,2,0,0,0,0|0,0,0]=2 14042 B12R1.28 ONCCOc1cccc(Br)c1 Amb17088424 [0,2,0,0,0,0|1,0,0]=3 14043 B12R1.28 ONCCOc1cccc(Cl)c1 Amb17088421 [0,2,0,0,0,0|1,0,0]=3 14044 B12R1.28 ONCCOc1cccc(F)c1 Amb17088418 [0,2,0,0,0,0|1,0,0]=3 14045 B12R1.28 Oc1cccc(CCN=C=S)c1 Amb27954084 [0,2,0,0,0,0|0,1,1]=4 14046 B12R1.28 S=C=NCCc1cccc(Br)c1 Amb17255960 [0,2,0,0,0,0|0,1,1]=4 14047 B12R1.28 S=C=NCCc1cccc(Cl)c1 Amb5750757 [0,2,0,0,0,0|0,1,1]=4 14048 B12R1.28 SCCCCc1cccc(Br)c1 Amb18072286 [0,2,0,0,0,0|0,1,0]=3 14049 B12R1.28 SCCCCc1cccc(Cl)c1 Amb18565790 [0,2,0,0,0,0|0,1,0]=3 14050 B12R1.28 SCCCOc1cccc(Br)c1 Amb17258958 [0,2,0,0,0,0|0,1,0]=3 14051 B12R1.28 SCCCOc1cccc(Cl)c1 Amb17237589 [0,2,0,0,0,0|0,1,0]=3 14052 B12R1.28 [C-]#[N+]CCCc1cccc(Br)c1 Amb33435391 [0,2,0,0,0,0|1,0,0]=3 14053 B12R1.28 [C-]#[N+]CCOc1cccc(F)c1 Amb26973188 [0,2,0,0,0,0|2,0,0]=4 14054 B12R1.28 [C-]#[N+]CCSc1cccc(Br)c1 Amb27603490 [0,2,0,0,0,0|2,0,0]=4 14055 B12R1.28 [C-]#[N+]CCSc1cccc(C)c1 Amb27436923 [0,2,0,0,0,0|2,0,0]=4 14056 B12R1.28 [C-]#[N+]CCSc1cccc(Cl)c1 Amb27757227 [0,2,0,0,0,0|2,0,0]=4 14057 B12R1.28 [C-]#[N+]CCSc1cccc(F)c1 Amb27756477 [0,2,0,0,0,0|2,0,0]=4 14058 B12R1.28 [N-]=[N+]=NCCc1cccc(Br)c1 Amb33451490 [0,2,0,0,0,0|2,0,0]=4 14059 B12R1.28 [N-]=[N+]=NCCc1cccc(Cl)c1 Amb33223609 [0,2,0,0,0,0|2,0,0]=4 14060 B12R1.28 [N-]=[N+]=NCCc1cccc(F)c1 Amb33203556 [0,2,0,0,0,0|2,0,0]=4 14061 B12R1.28 [N-]=[N+]=NCCc1cccc(O)c1 Amb33310793 [0,2,0,0,0,0|2,0,0]=4 14062 B12R1.50 C#CC(N)Cc1cccc(Br)c1 Amb27606207 [0,2,0,0,0,0|1,0,1]=4 14063 B12R1.50 C#CC(N)Cc1cccc(F)c1 Amb25886519 [0,2,0,0,0,0|1,0,1]=4 14064 B12R1.50 C#CC(N)Cc1cccc(F)c1 Amb31217544 [0,2,0,0,0,0|1,0,1]=4 14065 B12R1.50 C#CC(O)Cc1cccc(N)c1 Amb35620717 [0,2,0,0,0,0|1,0,1]=4 14066 B12R1.50 C=CC(N)Cc1cccc(Br)c1 Amb28286567 [0,2,0,0,0,0|1,0,1]=4 14067 B12R1.50 C=CC(N)Cc1cccc(C)c1 Amb27494449 [0,2,0,0,0,0|1,0,1]=4 14068 B12R1.50 C=CC(O)Cc1cccc(Br)c1 Amb27840834 [0,2,0,0,0,0|1,0,1]=4 14069 B12R1.50 C=CC(O)Cc1cccc(F)c1 Amb27840833 [0,2,0,0,0,0|1,0,1]=4 14070 B12R1.50 C=CC(O)Cc1cccc(N)c1 Amb35620632 [0,2,0,0,0,0|1,0,1]=4 14071 B12R1.50 CC(C#N)Cc1cccc(Br)c1 Amb25159927 [0,2,0,0,0,0|1,0,1]=4 14072 B12R1.50 CC(C#N)Cc1cccc(Cl)c1 Amb25762801 [0,2,0,0,0,0|1,0,1]=4 14073 B12R1.50 CC(C#N)Cc1cccc(F)c1 Amb26037905 [0,2,0,0,0,0|1,0,1]=4 14074 B12R1.50 CC(C=O)Cc1cccc(Br)c1 Amb26348210 [0,2,0,0,0,0|0,0,2]=4 14075 B12R1.50 CC(C=O)Cc1cccc(F)c1 Amb25885683 [0,2,0,0,0,0|0,0,2]=4 14076 B12R1.50 CC(C=O)Cc1cccc(I)c1 Amb25850018 [0,2,0,0,0,0|0,0,2]=4 14077 B12R1.50 CC(C=O)Cc1cccc(N)c1 Amb25251154 [0,2,0,0,0,0|0,0,2]=4 14078 B12R1.50 CC(C=O)Cc1cccc(O)c1 Amb27601007 [0,2,0,0,0,0|0,0,2]=4 14079 B12R1.50 CC(CBr)Cc1cccc(Br)c1 Amb26855946 [0,2,0,0,0,0|1,0,0]=3 14080 B12R1.50 CC(CBr)Cc1cccc(Cl)c1 Amb25957906 [0,2,0,0,0,0|1,0,0]=3 14081 B12R1.50 CC(CBr)Cc1cccc(F)c1 Amb26363128 [0,2,0,0,0,0|1,0,0]=3 14082 B12R1.50 CC(CBr)Cc1cccc(O)c1 Amb24444691 [0,2,0,0,0,0|1,0,0]=3 14083 B12R1.50 CC(CBr)Cc1cncc(Br)c1 Amb26375825 [0,2,0,0,0,0|2,0,0]=4 14084 B12R1.50 CC(CBr)Cc1cncc(Cl)c1 Amb32691052 [0,2,0,0,0,0|2,0,0]=4 14085 B12R1.50 CC(CBr)Oc1cccc(Br)c1 Amb17291821 [0,2,0,0,0,0|2,0,0]=4 14086 B12R1.50 CC(CBr)Oc1cccc(Cl)c1 Amb17261130 [0,2,0,0,0,0|2,0,0]=4 14087 B12R1.50 CC(CBr)Oc1cccc(F)c1 Amb17250550 [0,2,0,0,0,0|2,0,0]=4 14088 B12R1.50 CC(CCl)Cc1cccc(Br)c1 Amb24728303 [0,2,0,0,0,0|1,0,0]=3 14089 B12R1.50 CC(CCl)Cc1cccc(Cl)c1 Amb27455762 [0,2,0,0,0,0|1,0,0]=3 14090 B12R1.50 CC(CCl)Cc1cccc(F)c1 Amb26399593 [0,2,0,0,0,0|1,0,0]=3 14091 B12R1.50 CC(CCl)Cc1cccc(O)c1 Amb24537852 [0,2,0,0,0,0|1,0,0]=3 14092 B12R1.50 CC(CCl)Cc1cncc(Br)c1 Amb25961515 [0,2,0,0,0,0|2,0,0]=4 14093 B12R1.50 CC(CCl)Cc1cncc(Cl)c1 Amb32691051 [0,2,0,0,0,0|2,0,0]=4 14094 B12R1.50 CC(CCl)Oc1cccc(Br)c1 Amb17261133 [0,2,0,0,0,0|2,0,0]=4 14095 B12R1.50 CC(CCl)Oc1cccc(Cl)c1 Amb17238290 [0,2,0,0,0,0|2,0,0]=4 14096 B12R1.50 CC(CCl)Oc1cccc(F)c1 Amb17234614 [0,2,0,0,0,0|2,0,0]=4 14097 B12R1.50 CC(CN)Cc1cccc(Br)c1 Amb18992227 [0,2,0,0,0,0|1,0,0]=3 14098 B12R1.50 CC(CN)Cc1cccc(Cl)c1 Amb5743847 [0,2,0,0,0,0|1,0,0]=3 14099 B12R1.50 CC(CN)Cc1cncc(F)c1 Amb26878848 [0,2,0,0,0,0|2,0,0]=4 14100 B12R1.50 CC(CN)Nc1cccc(Br)c1 Amb27860926 [0,2,0,0,0,0|2,0,0]=4 14101 B12R1.50 CC(CN)Nc1cccc(I)c1 Amb27861768 [0,2,0,0,0,0|2,0,0]=4 14102 B12R1.50 CC(CN)Nc1cccc(O)c1 Amb27212647 [0,2,0,0,0,0|2,0,0]=4 14103 B12R1.50 CC(CN)Oc1cccc(Br)c1 Amb33530520 [0,2,0,0,0,0|2,0,0]=4 14104 B12R1.50 CC(CN)Oc1cccc(Cl)c1 Amb18299442 [0,2,0,0,0,0|2,0,0]=4 14105 B12R1.50 CC(CN)Oc1cccc(Cl)c1 Amb33550099 [0,2,0,0,0,0|2,0,0]=4 14106 B12R1.50 CC(CN)Oc1cccc(F)c1 Amb18299439 [0,2,0,0,0,0|2,0,0]=4 14107 B12R1.50 CC(CN)Oc1cccc(I)c1 Amb28365540 [0,2,0,0,0,0|2,0,0]=4 14108 B12R1.50 CC(CN)Sc1cccc(F)c1 Amb27403181 [0,2,0,0,0,0|2,0,0]=4 14109 B12R1.50 CC(CN)Sc1cccc(N)c1 Amb27469803 [0,2,0,0,0,0|2,0,0]=4 14110 B12R1.50 CC(CO)Cc1cccc(F)c1 Amb25228330 [0,2,0,0,0,0|0,0,0]=2 14111 B12R1.50 CC(CO)Cc1cncc(F)c1 Amb24654523 [0,2,0,0,0,0|1,0,0]=3 14112 B12R1.50 CC(CO)Nc1cccc(Br)c1 Amb18290175 [0,2,0,0,0,0|1,0,0]=3 14113 B12R1.50 CC(CO)Nc1cccc(F)c1 Amb18971844 [0,2,0,0,0,0|1,0,0]=3 14114 B12R1.50 CC(CO)Nc1cccc(N)n1 Amb28244023 [0,2,0,0,0,0|2,0,0]=4 14115 B12R1.50 CC(CO)Nc1cncc(Cl)c1 Amb35706924 [0,2,0,0,0,0|2,0,0]=4 14116 B12R1.50 CC(CO)Nc1cncc(F)c1 Amb27753610 [0,2,0,0,0,0|2,0,0]=4 14117 B12R1.50 CC(CO)Oc1cccc(Br)c1 Amb17249277 [0,2,0,0,0,0|1,0,0]=3 14118 B12R1.50 CC(CO)Oc1cccc(Cl)c1 Amb17234357 [0,2,0,0,0,0|1,0,0]=3 14119 B12R1.50 CC(CO)Oc1cccc(F)c1 Amb17232740 [0,2,0,0,0,0|1,0,0]=3 14120 B12R1.50 CC(CO)Oc1cccc(I)c1 Amb35640903 [0,2,0,0,0,0|1,0,0]=3 14121 B12R1.50 CC(CO)Oc1cncc(Br)c1 Amb35647390 [0,2,0,0,0,0|2,0,0]=4 14122 B12R1.50 CC(CO)Oc1cncc(Cl)c1 Amb35640909 [0,2,0,0,0,0|2,0,0]=4 14123 B12R1.50 CC(CO)Sc1cc(N)ccn1 Amb27412151 [0,2,0,0,0,0|2,0,0]=4 14124 B12R1.50 CC(CO)Sc1cccc(Br)n1 Amb28367915 [0,2,0,0,0,0|2,0,0]=4 14125 B12R1.50 CC(CO)Sc1cccc(Cl)n1 Amb27606562 [0,2,0,0,0,0|2,0,0]=4 14126 B12R1.50 CC(Cc1cccc(Cl)c1)NN Amb24434144 [0,2,0,0,0,0|2,0,0]=4 14127 B12R1.50 CCC(=O)Cc1cccc(Br)c1 Amb17477613 [0,2,0,0,0,0|1,0,1]=4 14128 B12R1.50 CCC(=O)Cc1cccc(C)c1 Amb17138543 [0,2,0,0,0,0|1,0,1]=4 14129 B12R1.50 CCC(=O)Cc1cccc(Cl)c1 Amb17139042 [0,2,0,0,0,0|1,0,1]=4 14130 B12R1.50 CCC(=O)Cc1cccc(F)c1 Amb17138604 [0,2,0,0,0,0|1,0,1]=4 14131 B12R1.50 CCC(=O)Cc1cccc(N)c1 Amb27625936 [0,2,0,0,0,0|1,0,1]=4 14132 B12R1.50 CCC(C)Nc1cccc(Br)c1 Amb6696680 [0,2,0,0,0,0|2,0,0]=4 14133 B12R1.50 CCC(C)Nc1cccc(C)c1 Amb6684523 [0,2,0,0,0,0|2,0,0]=4 14134 B12R1.50 CCC(C)Nc1cccc(Cl)c1 Amb6695735 [0,2,0,0,0,0|2,0,0]=4 14135 B12R1.50 CCC(C)Nc1cccc(F)c1 Amb6695894 [0,2,0,0,0,0|2,0,0]=4 14136 B12R1.50 CCC(C)Nc1cccc(I)c1 Amb7785286 [0,2,0,0,0,0|2,0,0]=4 14137 B12R1.50 CCC(C)Nc1cccc(N)c1 Amb8825433 [0,2,0,0,0,0|2,0,0]=4 14138 B12R1.50 CCC(C)Oc1cccc(Br)c1 Amb6740547 [0,2,0,0,0,0|2,0,0]=4 14139 B12R1.50 CCC(C)Oc1cccc(Cl)c1 Amb27757982 [0,2,0,0,0,0|2,0,0]=4 14140 B12R1.50 CCC(C)Oc1cccc(F)c1 Amb27879307 [0,2,0,0,0,0|2,0,0]=4 14141 B12R1.50 CCC(C)Oc1cccc(N)c1 Amb33552870 [0,2,0,0,0,0|2,0,0]=4 14142 B12R1.50 CCC(C)Oc1cccc(N)c1 Amb9778992 [0,2,0,0,0,0|2,0,0]=4 14143 B12R1.50 CCC(C)Oc1cccc(O)c1 Amb8837487 [0,2,0,0,0,0|2,0,0]=4 14144 B12R1.50 CCC(C)Sc1cccc(Cl)c1 Amb28382138 [0,2,0,0,0,0|2,0,0]=4 14145 B12R1.50 CCC(C)Sc1cccc(F)c1 Amb27651316 [0,2,0,0,0,0|2,0,0]=4 14146 B12R1.50 CCC(Cl)Cc1cccc(Br)c1 Amb17477597 [0,2,0,0,0,0|1,0,0]=3 14147 B12R1.50 CCC(Cl)Cc1cccc(F)c1 Amb19046367 [0,2,0,0,0,0|1,0,0]=3 14148 B12R1.50 CCC(Cl)Cc1ccnc(N)c1 Amb28454436 [0,2,0,0,0,0|2,0,0]=4 14149 B12R1.50 CCC(N)Cc1cccc(C)c1 Amb9428906 [0,2,0,0,0,0|1,0,0]=3 14150 B12R1.50 CCC(N)Cc1cccc(C)n1 Amb18828656 [0,2,0,0,0,0|2,0,0]=4 14151 B12R1.50 CCC(N)Cc1cccc(Cl)c1 Amb9428876 [0,2,0,0,0,0|1,0,0]=3 14152 B12R1.50 CCC(N)Cc1cccc(F)c1 Amb9428915 [0,2,0,0,0,0|1,0,0]=3 14153 B12R1.50 CCC(N)Cc1cccc(N)c1 Amb27467745 [0,2,0,0,0,0|1,0,0]=3 14154 B12R1.50 CCC(N)Cc1ccnc(Cl)c1 Amb24460329 [0,2,0,0,0,0|2,0,0]=4 14155 B12R1.50 CCC(N)Cc1cncc(C)c1 Amb35657939 [0,2,0,0,0,0|2,0,0]=4 14156 B12R1.50 CCC(N)Cc1cncc(F)c1 Amb35653996 [0,2,0,0,0,0|2,0,0]=4 14157 B12R1.50 CCC(O)Cc1cccc(Br)c1 Amb17477580 [0,2,0,0,0,0|1,0,0]=3 14158 B12R1.50 CCC(O)Cc1cccc(C)c1 Amb17138582 [0,2,0,0,0,0|1,0,0]=3 14159 B12R1.50 CCC(O)Cc1cccc(Cl)c1 Amb17139102 [0,2,0,0,0,0|1,0,0]=3 14160 B12R1.50 CCC(O)Cc1cccc(F)c1 Amb17138636 [0,2,0,0,0,0|1,0,0]=3 14161 B12R1.50 CCC(O)Cc1cccc(N)c1 Amb35620551 [0,2,0,0,0,0|1,0,0]=3 14162 B12R1.50 CCC(O)Sc1cccc(C)c1 Amb22228367 [0,2,0,0,0,0|2,0,0]=4 14163 B12R1.50 CCN(C)Cc1cccc(F)c1 Amb28291896 [0,2,0,0,0,0|2,0,0]=4 14164 B12R1.50 CCN(C)Cc1cccc(O)c1 Amb28367587 [0,2,0,0,0,0|2,0,0]=4 14165 B12R1.50 CC[C@@H](N)Cc1cccc(Cl)c1 Amb27950246 [0,2,0,0,0,0|1,0,0]=3 14166 B12R1.50 CC[C@H](C)Oc1cccc(O)c1 Amb24497029 [0,2,0,0,0,0|2,0,0]=4 14167 B12R1.50 CC[C@H](N)Cc1cccc(C)c1 Amb27178383 [0,2,0,0,0,0|1,0,0]=3 14168 B12R1.50 CC[C@H](N)Cc1cccc(F)c1 Amb27770954 [0,2,0,0,0,0|1,0,0]=3 14169 B12R1.50 CNC(C)Cc1cccc(Br)c1 Amb27172850 [0,2,0,0,0,0|2,0,0]=4 14170 B12R1.50 CNC(C)Cc1cccc(C)c1 Amb33533194 [0,2,0,0,0,0|2,0,0]=4 14171 B12R1.50 CNC(C)Cc1cccc(C)c1 Amb5735452 [0,2,0,0,0,0|2,0,0]=4 14172 B12R1.50 CNC(C)Cc1cccc(F)c1 Amb18792939 [0,2,0,0,0,0|2,0,0]=4 14173 B12R1.50 CNC(C)Cc1cccc(N)c1 Amb27430457 [0,2,0,0,0,0|2,0,0]=4 14174 B12R1.50 CN[C@@H](C)Cc1cccc(O)c1 Amb25697180 [0,2,0,0,0,0|2,0,0]=4 14175 B12R1.50 C[C@@H](CN)Cc1cncc(F)c1 Amb33726966 [0,2,0,0,0,0|2,0,0]=4 14176 B12R1.50 C[C@@H](CO)Cc1cncc(F)c1 Amb33747389 [0,2,0,0,0,0|1,0,0]=3 14177 B12R1.50 C[C@@H](CO)Nc1cncc(Br)c1 Amb25962173 [0,2,0,0,0,0|2,0,0]=4 14178 B12R1.50 C[C@H](CN)Cc1cncc(F)c1 Amb33737867 [0,2,0,0,0,0|2,0,0]=4 14179 B12R1.50 C[C@H](CO)Cc1cncc(F)c1 Amb33748184 [0,2,0,0,0,0|1,0,0]=3 14180 B12R1.50 C\C(=C\c1cccc(Br)c1)CO Amb27470680 [0,2,0,0,0,0|0,0,2]=4 14181 B12R1.50 C\C(=C\c1cccc(I)c1)CO Amb27668599 [0,2,0,0,0,0|0,0,2]=4 14182 B12R1.50 C\C(Cc1cccc(C)c1)=N\O Amb27492873 [0,2,0,0,0,0|1,0,1]=4 14183 B12R1.50 C\C(Cc1cccc(Cl)c1)=N/O Amb6298532 [0,2,0,0,0,0|1,0,1]=4 14184 B12R1.50 C\C(Cc1cccc(Cl)c1)=N\O Amb28386417 [0,2,0,0,0,0|1,0,1]=4 14185 B12R1.50 C\C(Cc1cccc(F)c1)=N/O Amb6297510 [0,2,0,0,0,0|1,0,1]=4 14186 B12R1.50 Cc1cc(CC(N)CO)ccn1 Amb33474488 [0,2,0,0,0,0|1,0,0]=3 14187 B12R1.50 Cc1cc(CC(O)CN)ccn1 Amb32733021 [0,2,0,0,0,0|2,0,0]=4 14188 B12R1.50 Cc1cc(NC(C)CO)ccn1 Amb27244271 [0,2,0,0,0,0|2,0,0]=4 14189 B12R1.50 Cc1cccc(CC(=O)CBr)c1 Amb25089939 [0,2,0,0,0,0|1,0,1]=4 14190 B12R1.50 Cc1cccc(CC(=O)CCl)c1 Amb6268283 [0,2,0,0,0,0|1,0,1]=4 14191 B12R1.50 Cc1cccc(CC(=O)CN)c1 Amb18829247 [0,2,0,0,0,0|1,0,1]=4 14192 B12R1.50 Cc1cccc(CC(=O)CO)c1 Amb18563612 [0,2,0,0,0,0|0,0,1]=3 14193 B12R1.50 Cc1cccc(CC(Br)C#N)c1 Amb2811597 [0,2,0,0,0,0|1,0,1]=4 14194 B12R1.50 Cc1cccc(CC(C)C#N)c1 Amb27242720 [0,2,0,0,0,0|1,0,1]=4 14195 B12R1.50 Cc1cccc(CC(C)C=O)c1 Amb25120274 [0,2,0,0,0,0|0,0,2]=4 14196 B12R1.50 Cc1cccc(CC(C)CBr)c1 Amb26022086 [0,2,0,0,0,0|1,0,0]=3 14197 B12R1.50 Cc1cccc(CC(C)CCl)c1 Amb26412261 [0,2,0,0,0,0|1,0,0]=3 14198 B12R1.50 Cc1cccc(CC(C)CN)c1 Amb5743838 [0,2,0,0,0,0|1,0,0]=3 14199 B12R1.50 Cc1cccc(CC(C)CO)c1 Amb24341616 [0,2,0,0,0,0|0,0,0]=2 14200 B12R1.50 Cc1cccc(CC(Cl)C#N)c1 Amb17204320 [0,2,0,0,0,0|1,0,1]=4 14201 B12R1.50 Cc1cccc(CC(Cl)C=O)c1 Amb17204327 [0,2,0,0,0,0|0,0,2]=4 14202 B12R1.50 Cc1cccc(CC(F)C=O)c1 Amb28423095 [0,2,0,0,0,0|0,0,2]=4 14203 B12R1.50 Cc1cccc(CC(F)CN)c1 Amb27416521 [0,2,0,0,0,0|1,0,0]=3 14204 B12R1.50 Cc1cccc(CC(N)CO)c1 Amb17062686 [0,2,0,0,0,0|0,0,0]=2 14205 B12R1.50 Cc1cccc(CC(N)CO)c1 Amb28872399 [0,2,0,0,0,0|0,0,0]=2 14206 B12R1.50 Cc1cccc(CC(N)CO)n1 Amb25737795 [0,2,0,0,0,0|1,0,0]=3 14207 B12R1.50 Cc1cccc(CC(O)CN)c1 Amb17232548 [0,2,0,0,0,0|1,0,0]=3 14208 B12R1.50 Cc1cccc(CC(O)CN)n1 Amb33199581 [0,2,0,0,0,0|2,0,0]=4 14209 B12R1.50 Cc1cccc(CC(S)CO)c1 Amb27840605 [0,2,0,0,0,0|0,0,0]=2 14210 B12R1.50 Cc1cccc(C[C@@H](C)CN)c1 Amb33732120 [0,2,0,0,0,0|1,0,0]=3 14211 B12R1.50 Cc1cccc(C[C@@H](C)CO)c1 Amb33740504 [0,2,0,0,0,0|0,0,0]=2 14212 B12R1.50 Cc1cccc(C[C@@H](N)CO)c1 Amb24362986 [0,2,0,0,0,0|0,0,0]=2 14213 B12R1.50 Cc1cccc(C[C@H](C)CN)c1 Amb33746819 [0,2,0,0,0,0|1,0,0]=3 14214 B12R1.50 Cc1cccc(C[C@H](C)CO)c1 Amb33737856 [0,2,0,0,0,0|0,0,0]=2 14215 B12R1.50 Cc1cccc(C[C@H](O)CO)c1 Amb27653167 [0,2,0,0,0,0|0,0,0]=2 14216 B12R1.50 Cc1cccc(C\C(N)=N\O)c1 Amb6244407 [0,2,0,0,0,0|1,0,1]=4 14217 B12R1.50 Cc1cccc(NC(=O)CO)c1 Amb5798029 [0,2,0,0,0,0|1,0,1]=4 14218 B12R1.50 Cc1cccc(NC(C)CO)c1 Amb18971818 [0,2,0,0,0,0|1,0,0]=3 14219 B12R1.50 Cc1cccc(N[C@@H](C)CO)n1 Amb28382912 [0,2,0,0,0,0|2,0,0]=4 14220 B12R1.50 Cc1cccc(OC(C)CBr)c1 Amb17248432 [0,2,0,0,0,0|2,0,0]=4 14221 B12R1.50 Cc1cccc(OC(C)CCl)c1 Amb17234169 [0,2,0,0,0,0|2,0,0]=4 14222 B12R1.50 Cc1cccc(OC(C)CN)c1 Amb5781297 [0,2,0,0,0,0|2,0,0]=4 14223 B12R1.50 Cc1cccc(OC(C)CO)c1 Amb17232601 [0,2,0,0,0,0|1,0,0]=3 14224 B12R1.50 Cc1ccnc(CC(N)CO)c1 Amb33226945 [0,2,0,0,0,0|1,0,0]=3 14225 B12R1.50 Cc1ccnc(CC(O)CN)c1 Amb33318066 [0,2,0,0,0,0|2,0,0]=4 14226 B12R1.50 Cc1cncc(CC(C)CN)c1 Amb25702058 [0,2,0,0,0,0|2,0,0]=4 14227 B12R1.50 Cc1cncc(CC(C)CO)c1 Amb27159035 [0,2,0,0,0,0|1,0,0]=3 14228 B12R1.50 Cc1cncc(CC(N)CO)c1 Amb25374367 [0,2,0,0,0,0|1,0,0]=3 14229 B12R1.50 Cc1cncc(CC(O)CCl)c1 Amb27187735 [0,2,0,0,0,0|2,0,0]=4 14230 B12R1.50 Cc1cncc(CC(O)CN)c1 Amb33317653 [0,2,0,0,0,0|2,0,0]=4 14231 B12R1.50 Cc1cncc(C[C@@H](C)CN)c1 Amb33726962 [0,2,0,0,0,0|2,0,0]=4 14232 B12R1.50 Cc1cncc(C[C@@H](C)CO)c1 Amb33738961 [0,2,0,0,0,0|1,0,0]=3 14233 B12R1.50 Cc1cncc(C[C@H](C)CN)c1 Amb33737862 [0,2,0,0,0,0|2,0,0]=4 14234 B12R1.50 Cc1cncc(C[C@H](C)CO)c1 Amb33748175 [0,2,0,0,0,0|1,0,0]=3 14235 B12R1.50 N#CC(Br)Cc1cccc(Cl)c1 Amb17349964 [0,2,0,0,0,0|1,0,1]=4 14236 B12R1.50 N#CC(Br)Cc1cccc(F)c1 Amb17344013 [0,2,0,0,0,0|1,0,1]=4 14237 B12R1.50 N#CC(Cl)Cc1cccc(Br)c1 Amb17204672 [0,2,0,0,0,0|1,0,1]=4 14238 B12R1.50 N#CC(Cl)Cc1cccc(Cl)c1 Amb17204382 [0,2,0,0,0,0|1,0,1]=4 14239 B12R1.50 N#CC(Cl)Cc1cccc(F)c1 Amb17204332 [0,2,0,0,0,0|1,0,1]=4 14240 B12R1.50 N#CC(Cl)Cc1cccc(S)c1 Amb27209228 [0,2,0,0,0,0|1,0,1]=4 14241 B12R1.50 N#CC(N)Cc1cccc(O)c1 Amb28137831 [0,2,0,0,0,0|1,0,1]=4 14242 B12R1.50 NC(CF)Cc1cccc(Cl)c1 Amb27804222 [0,2,0,0,0,0|1,0,0]=3 14243 B12R1.50 NC(CF)Cc1cccc(O)c1 Amb27635618 [0,2,0,0,0,0|1,0,0]=3 14244 B12R1.50 NC(CO)Cc1cc(F)ccn1 Amb33414559 [0,2,0,0,0,0|1,0,0]=3 14245 B12R1.50 NC(CO)Cc1cccc(Br)c1 Amb17062712 [0,2,0,0,0,0|0,0,0]=2 14246 B12R1.50 NC(CO)Cc1cccc(Br)n1 Amb27635360 [0,2,0,0,0,0|1,0,0]=3 14247 B12R1.50 NC(CO)Cc1cccc(Cl)c1 Amb17062695 [0,2,0,0,0,0|0,0,0]=2 14248 B12R1.50 NC(CO)Cc1cccc(Cl)n1 Amb33222329 [0,2,0,0,0,0|1,0,0]=3 14249 B12R1.50 NC(CO)Cc1cccc(F)c1 Amb33543823 [0,2,0,0,0,0|0,0,0]=2 14250 B12R1.50 NC(CO)Cc1cccc(O)c1 Amb17062711 [0,2,0,0,0,0|0,0,0]=2 14251 B12R1.50 NC(CO)Cc1cncc(Br)c1 Amb25896814 [0,2,0,0,0,0|1,0,0]=3 14252 B12R1.50 NC(CO)Cc1cncc(F)c1 Amb25861660 [0,2,0,0,0,0|1,0,0]=3 14253 B12R1.50 NCC(=O)Cc1cccc(Br)c1 Amb18160371 [0,2,0,0,0,0|1,0,1]=4 14254 B12R1.50 NCC(=O)Cc1cccc(Br)c1 Amb28963316 [0,2,0,0,0,0|1,0,1]=4 14255 B12R1.50 NCC(=O)Cc1cccc(Cl)c1 Amb18823030 [0,2,0,0,0,0|1,0,1]=4 14256 B12R1.50 NCC(=O)Cc1cccc(F)c1 Amb18199528 [0,2,0,0,0,0|1,0,1]=4 14257 B12R1.50 NCC(=O)Cc1cccc(O)c1 Amb18251724 [0,2,0,0,0,0|1,0,1]=4 14258 B12R1.50 NCC(O)Cc1cc(F)ccn1 Amb33325539 [0,2,0,0,0,0|2,0,0]=4 14259 B12R1.50 NCC(O)Cc1cccc(Br)c1 Amb17248846 [0,2,0,0,0,0|1,0,0]=3 14260 B12R1.50 NCC(O)Cc1cccc(Br)n1 Amb33433420 [0,2,0,0,0,0|2,0,0]=4 14261 B12R1.50 NCC(O)Cc1cccc(Cl)c1 Amb17234266 [0,2,0,0,0,0|1,0,0]=3 14262 B12R1.50 NCC(O)Cc1cccc(Cl)n1 Amb33222636 [0,2,0,0,0,0|2,0,0]=4 14263 B12R1.50 NCC(O)Cc1cccc(F)c1 Amb18563898 [0,2,0,0,0,0|1,0,0]=3 14264 B12R1.50 NCC(O)Cc1cccc(O)c1 Amb25892760 [0,2,0,0,0,0|1,0,0]=3 14265 B12R1.50 NCC(O)Cc1cncc(Br)c1 Amb25740056 [0,2,0,0,0,0|2,0,0]=4 14266 B12R1.50 NCC(O)Cc1cncc(F)c1 Amb33195890 [0,2,0,0,0,0|2,0,0]=4 14267 B12R1.50 N[C@@H](CO)Cc1cccc(F)c1 Amb27614706 [0,2,0,0,0,0|0,0,0]=2 14268 B12R1.50 N[C@@H](CO)Cc1cccc(O)c1 Amb27620894 [0,2,0,0,0,0|0,0,0]=2 14269 B12R1.50 N[C@H](CO)Cc1cccc(Br)c1 Amb26507618 [0,2,0,0,0,0|0,0,0]=2 14270 B12R1.50 N[C@H](CO)Cc1cccc(Cl)c1 Amb22233154 [0,2,0,0,0,0|0,0,0]=2 14271 B12R1.50 N[C@H](CO)Cc1cccc(Cl)c1 Amb33871627 [0,2,0,0,0,0|0,0,0]=2 14272 B12R1.50 N[C@H](CO)Cc1cccc(F)c1 Amb27490887 [0,2,0,0,0,0|0,0,0]=2 14273 B12R1.50 N[C@H](CO)Cc1cccc(O)c1 Amb22233156 [0,2,0,0,0,0|0,0,0]=2 14274 B12R1.50 N\C(Cc1cccc(Br)c1)=N/O Amb6246890 [0,2,0,0,0,0|1,0,1]=4 14275 B12R1.50 N\C(Cc1cccc(Cl)c1)=N/O Amb1117604 [0,2,0,0,0,0|1,0,1]=4 14276 B12R1.50 N\C(Cc1cccc(Cl)c1)=N/O Amb35826741 [0,2,0,0,0,0|1,0,1]=4 14277 B12R1.50 N\C(Cc1cccc(F)c1)=N/O Amb9713301 [0,2,0,0,0,0|1,0,1]=4 14278 B12R1.50 N\C(Cc1cccc(I)c1)=N\O Amb2696230 [0,2,0,0,0,0|1,0,1]=4 14279 B12R1.50 N\C(Cc1cccc(N)c1)=N\O Amb24711722 [0,2,0,0,0,0|1,0,1]=4 14280 B12R1.50 Nc1cccc(CC(=O)NO)c1 Amb27219898 [0,2,0,0,0,0|1,0,1]=4 14281 B12R1.50 Nc1cccc(NC(=O)CO)c1 Amb33545927 [0,2,0,0,0,0|1,0,1]=4 14282 B12R1.50 O=C(CBr)Cc1cccc(Br)c1 Amb22233785 [0,2,0,0,0,0|1,0,1]=4 14283 B12R1.50 O=C(CBr)Cc1cccc(Cl)c1 Amb24627962 [0,2,0,0,0,0|1,0,1]=4 14284 B12R1.50 O=C(CBr)Cc1cccc(F)c1 Amb27807203 [0,2,0,0,0,0|1,0,1]=4 14285 B12R1.50 O=C(CBr)Cc1cccc(O)c1 Amb27192267 [0,2,0,0,0,0|1,0,1]=4 14286 B12R1.50 O=C(CCl)Cc1cccc(Br)c1 Amb8887712 [0,2,0,0,0,0|1,0,1]=4 14287 B12R1.50 O=C(CCl)Cc1cccc(Cl)c1 Amb6275394 [0,2,0,0,0,0|1,0,1]=4 14288 B12R1.50 O=C(CCl)Cc1cccc(F)c1 Amb6263479 [0,2,0,0,0,0|1,0,1]=4 14289 B12R1.50 O=C(CCl)Cc1cccc(O)c1 Amb27192273 [0,2,0,0,0,0|1,0,1]=4 14290 B12R1.50 O=C(CCl)Cc1cccc(S)c1 Amb28133125 [0,2,0,0,0,0|1,0,1]=4 14291 B12R1.50 O=C(CO)Cc1cccc(Br)c1 Amb18572003 [0,2,0,0,0,0|0,0,1]=3 14292 B12R1.50 O=C(CO)Cc1cccc(Cl)c1 Amb18564304 [0,2,0,0,0,0|0,0,1]=3 14293 B12R1.50 O=C(CO)Nc1cccc(Br)c1 Amb5798053 [0,2,0,0,0,0|1,0,1]=4 14294 B12R1.50 O=C(CO)Nc1cccc(Cl)c1 Amb1110353 [0,2,0,0,0,0|1,0,1]=4 14295 B12R1.50 O=C(CO)Nc1cccc(F)c1 Amb1110282 [0,2,0,0,0,0|1,0,1]=4 14296 B12R1.50 O=C(CO)Nc1cccc(I)c1 Amb5798058 [0,2,0,0,0,0|1,0,1]=4 14297 B12R1.50 O=C(CO)Nc1cccc(O)c1 Amb5798035 [0,2,0,0,0,0|1,0,1]=4 14298 B12R1.50 O=C(CO)Oc1cccc(F)c1 Amb28043888 [0,2,0,0,0,0|1,0,1]=4 14299 B12R1.50 O=C(Cc1cccc(F)c1)NO Amb6278242 [0,2,0,0,0,0|1,0,1]=4 14300 B12R1.50 O=C(Cc1cccc(I)c1)NO Amb28283419 [0,2,0,0,0,0|1,0,1]=4 14301 B12R1.50 O=CC(Cl)Cc1cccc(Br)c1 Amb17204708 [0,2,0,0,0,0|0,0,2]=4 14302 B12R1.50 O=CC(Cl)Cc1cccc(Cl)c1 Amb17204402 [0,2,0,0,0,0|0,0,2]=4 14303 B12R1.50 O=CC(Cl)Cc1cccc(F)c1 Amb17204343 [0,2,0,0,0,0|0,0,2]=4 14304 B12R1.50 O=CC(F)Cc1cccc(F)c1 Amb27595749 [0,2,0,0,0,0|0,0,2]=4 14305 B12R1.50 OC(CCl)Cc1cccc(Br)c1 Amb35591758 [0,2,0,0,0,0|1,0,0]=3 14306 B12R1.50 OCC(O)Cc1cccc(F)c1 Amb28138541 [0,2,0,0,0,0|0,0,0]=2 14307 B12R1.50 OC[C@H](O)Cc1cccc(F)c1 Amb27485894 [0,2,0,0,0,0|0,0,0]=2 14308 B12R1.100 BrCCCc1cc(Br)cc(Br)c1 Amb26608401 [0,2,0,0,0,0|1,0,0]=3 14309 B12R1.100 C#CCCc1cc(C)cc(Br)c1 Amb33431424 [0,2,0,0,0,0|1,0,1]=4 14310 B12R1.100 C#CCCc1cc(C)cc(C)c1 Amb33377417 [0,2,0,0,0,0|1,0,1]=4 14311 B12R1.100 C#CCCc1cc(C)cc(F)c1 Amb33343047 [0,2,0,0,0,0|1,0,1]=4 14312 B12R1.100 C#CCCc1cc(Cl)cc(Br)c1 Amb33435631 [0,2,0,0,0,0|1,0,1]=4 14313 B12R1.100 C#CCCc1cc(Cl)cc(Cl)c1 Amb33261438 [0,2,0,0,0,0|1,0,1]=4 14314 B12R1.100 C#CCCc1cc(F)cc(Br)c1 Amb33334446 [0,2,0,0,0,0|1,0,1]=4 14315 B12R1.100 C#CCCc1cc(F)cc(Cl)c1 Amb33257425 [0,2,0,0,0,0|1,0,1]=4 14316 B12R1.100 C#CCCc1cc(F)cc(F)c1 Amb33313582 [0,2,0,0,0,0|1,0,1]=4 14317 B12R1.100 C=CCCc1cc(C)cc(F)c1 Amb30012332 [0,2,0,0,0,0|1,0,1]=4 14318 B12R1.100 C=CCCc1cc(F)cc(Br)c1 Amb27225439 [0,2,0,0,0,0|1,0,1]=4 14319 B12R1.100 C=CCCc1cc(F)cc(F)c1 Amb6299391 [0,2,0,0,0,0|1,0,1]=4 14320 B12R1.100 CCCCC1=CC(C)=CC(=O)N1 Amb28243909 [0,2,0,0,0,0|2,0,0]=4 14321 B12R1.100 CCCCc1cc(Br)cc(Br)c1 Amb19944051 [0,2,0,0,0,0|1,0,0]=3 14322 B12R1.100 CCCCc1cc(C)cc(C)c1 Amb20621114 [0,2,0,0,0,0|1,0,0]=3 14323 B12R1.100 CCCCc1cc(C)cc(N)n1 Amb27412484 [0,2,0,0,0,0|2,0,0]=4 14324 B12R1.100 CCCCc1cc(C)nc(F)c1 Amb32696423 [0,2,0,0,0,0|2,0,0]=4 14325 B12R1.100 CCCCc1cc(Cl)cc(Cl)c1 Amb27416544 [0,2,0,0,0,0|1,0,0]=3 14326 B12R1.100 CCCCc1cc(O)cc(O)c1 Amb24331632 [0,2,0,0,0,0|1,0,0]=3 14327 B12R1.100 CCCNc1cc(Br)cc(Br)c1 Amb35721402 [0,2,0,0,0,0|2,0,0]=4 14328 B12R1.100 CCCNc1cc(C)cc(C)c1 Amb4313516 [0,2,0,0,0,0|2,0,0]=4 14329 B12R1.100 CCCNc1cc(C)cc(F)c1 Amb28349512 [0,2,0,0,0,0|2,0,0]=4 14330 B12R1.100 CCCNc1cc(C)cc(I)c1 Amb35691308 [0,2,0,0,0,0|2,0,0]=4 14331 B12R1.100 CCCNc1cc(C)cc(N)c1 Amb27753298 [0,2,0,0,0,0|2,0,0]=4 14332 B12R1.100 CCCNc1cc(Cl)cc(Cl)c1 Amb4313515 [0,2,0,0,0,0|2,0,0]=4 14333 B12R1.100 CCCNc1cc(I)cc(I)c1 Amb35721004 [0,2,0,0,0,0|2,0,0]=4 14334 B12R1.100 CCCNc1cc(N)cc(F)c1 Amb18289354 [0,2,0,0,0,0|2,0,0]=4 14335 B12R1.100 CCCOc1cc(Br)cc(Br)c1 Amb28430218 [0,2,0,0,0,0|2,0,0]=4 14336 B12R1.100 CCCOc1cc(C)cc(Br)c1 Amb17506057 [0,2,0,0,0,0|2,0,0]=4 14337 B12R1.100 CCCOc1cc(C)cc(C)c1 Amb27800368 [0,2,0,0,0,0|2,0,0]=4 14338 B12R1.100 CCCOc1cc(C)cc(N)c1 Amb25345513 [0,2,0,0,0,0|2,0,0]=4 14339 B12R1.100 CCCOc1cc(Cl)cc(Br)c1 Amb28343851 [0,2,0,0,0,0|2,0,0]=4 14340 B12R1.100 CCCOc1cc(F)cc(Br)c1 Amb27646654 [0,2,0,0,0,0|2,0,0]=4 14341 B12R1.100 CCCOc1cc(F)cc(S)c1 Amb25976402 [0,2,0,0,0,0|2,0,0]=4 14342 B12R1.100 CCCOc1cc(N)cc(F)c1 Amb28072768 [0,2,0,0,0,0|2,0,0]=4 14343 B12R1.100 CCCOc1cc(N)cc(O)c1 Amb27864209 [0,2,0,0,0,0|2,0,0]=4 14344 B12R1.100 CCCOc1cc(O)cc(Cl)c1 Amb28344057 [0,2,0,0,0,0|2,0,0]=4 14345 B12R1.100 CCNCc1cc(C)cc(C)c1 Amb8841441 [0,2,0,0,0,0|2,0,0]=4 14346 B12R1.100 CCNCc1cc(C)cc(Cl)c1 Amb27615404 [0,2,0,0,0,0|2,0,0]=4 14347 B12R1.100 CCNCc1cc(F)cc(Cl)c1 Amb27616843 [0,2,0,0,0,0|2,0,0]=4 14348 B12R1.100 CCNCc1cc(O)cc(Cl)c1 Amb27658987 [0,2,0,0,0,0|2,0,0]=4 14349 B12R1.100 CCSCc1cc(F)cc(Br)c1 Amb27748588 [0,2,0,0,0,0|2,0,0]=4 14350 B12R1.100 CNCCc1cc(C)cc(Br)c1 Amb25820241 [0,2,0,0,0,0|2,0,0]=4 14351 B12R1.100 CNCCc1cc(C)cc(C)c1 Amb18993052 [0,2,0,0,0,0|2,0,0]=4 14352 B12R1.100 CNCCc1cc(C)cc(Cl)c1 Amb26038955 [0,2,0,0,0,0|2,0,0]=4 14353 B12R1.100 CNCCc1cc(C)cc(F)c1 Amb25841993 [0,2,0,0,0,0|2,0,0]=4 14354 B12R1.100 CNCCc1cc(C)cc(O)c1 Amb25997775 [0,2,0,0,0,0|2,0,0]=4 14355 B12R1.100 CNCCc1cc(Cl)cc(Br)c1 Amb26631647 [0,2,0,0,0,0|2,0,0]=4 14356 B12R1.100 CNCCc1cc(Cl)cc(Cl)c1 Amb25821763 [0,2,0,0,0,0|2,0,0]=4 14357 B12R1.100 CNCCc1cc(F)cc(Br)c1 Amb25710136 [0,2,0,0,0,0|2,0,0]=4 14358 B12R1.100 CNCCc1cc(F)cc(Cl)c1 Amb28127070 [0,2,0,0,0,0|2,0,0]=4 14359 B12R1.100 CNCCc1cc(F)cc(F)c1 Amb18993626 [0,2,0,0,0,0|2,0,0]=4 14360 B12R1.100 CNCCc1cc(O)cc(Br)c1 Amb25682658 [0,2,0,0,0,0|2,0,0]=4 14361 B12R1.100 CNCCc1cc(O)cc(Cl)c1 Amb25331884 [0,2,0,0,0,0|2,0,0]=4 14362 B12R1.100 CNCCc1cc(O)cc(F)c1 Amb25226474 [0,2,0,0,0,0|2,0,0]=4 14363 B12R1.100 CSCCc1cc(Br)cc(I)c1 Amb27457976 [0,2,0,0,0,0|2,0,0]=4 14364 B12R1.100 Cc1cc(Br)cc(CCC#N)c1 Amb26532696 [0,2,0,0,0,0|1,0,1]=4 14365 B12R1.100 Cc1cc(Br)cc(CCC=O)c1 Amb25141592 [0,2,0,0,0,0|0,0,2]=4 14366 B12R1.100 Cc1cc(Br)cc(CCCCl)c1 Amb27445858 [0,2,0,0,0,0|1,0,0]=3 14367 B12R1.100 Cc1cc(Br)cc(CCCN)c1 Amb25851408 [0,2,0,0,0,0|1,0,0]=3 14368 B12R1.100 Cc1cc(Br)cc(CCCO)c1 Amb33431431 [0,2,0,0,0,0|0,0,0]=2 14369 B12R1.100 Cc1cc(Br)cc(CCCS)c1 Amb33431455 [0,2,0,0,0,0|0,1,0]=3 14370 B12R1.100 Cc1cc(Br)cc(CCON)c1 Amb33430259 [0,2,0,0,0,0|2,0,0]=4 14371 B12R1.100 Cc1cc(Br)cc(OCCN)c1 Amb23590664 [0,2,0,0,0,0|2,0,0]=4 14372 B12R1.100 Cc1cc(Br)cc(\C=C\CO)c1 Amb33430335 [0,2,0,0,0,0|0,0,2]=4 14373 B12R1.100 Cc1cc(C)cc(CCC#N)c1 Amb17204303 [0,2,0,0,0,0|1,0,1]=4 14374 B12R1.100 Cc1cc(C)cc(CCC=O)c1 Amb18798122 [0,2,0,0,0,0|0,0,2]=4 14375 B12R1.100 Cc1cc(C)cc(CCCBr)c1 Amb26050658 [0,2,0,0,0,0|1,0,0]=3 14376 B12R1.100 Cc1cc(C)cc(CCCCl)c1 Amb19068163 [0,2,0,0,0,0|1,0,0]=3 14377 B12R1.100 Cc1cc(C)cc(CCCN)c1 Amb17204308 [0,2,0,0,0,0|1,0,0]=3 14378 B12R1.100 Cc1cc(C)cc(CCCO)c1 Amb18798360 [0,2,0,0,0,0|0,0,0]=2 14379 B12R1.100 Cc1cc(C)cc(CCCS)c1 Amb33377416 [0,2,0,0,0,0|0,1,0]=3 14380 B12R1.100 Cc1cc(C)cc(CCNN)c1 Amb17400168 [0,2,0,0,0,0|2,0,0]=4 14381 B12R1.100 Cc1cc(C)cc(CCON)c1 Amb33376124 [0,2,0,0,0,0|2,0,0]=4 14382 B12R1.100 Cc1cc(C)cc(NCCCl)c1 Amb17335664 [0,2,0,0,0,0|2,0,0]=4 14383 B12R1.100 Cc1cc(C)cc(NCCN)c1 Amb17057763 [0,2,0,0,0,0|2,0,0]=4 14384 B12R1.100 Cc1cc(C)cc(NCCO)c1 Amb6712967 [0,2,0,0,0,0|1,0,0]=3 14385 B12R1.100 Cc1cc(C)cc(OCCBr)c1 Amb1153291 [0,2,0,0,0,0|2,0,0]=4 14386 B12R1.100 Cc1cc(C)cc(OCCCl)c1 Amb5559613 [0,2,0,0,0,0|2,0,0]=4 14387 B12R1.100 Cc1cc(C)cc(OCCF)c1 Amb27781426 [0,2,0,0,0,0|2,0,0]=4 14388 B12R1.100 Cc1cc(C)cc(OCCI)c1 Amb27870665 [0,2,0,0,0,0|2,0,0]=4 14389 B12R1.100 Cc1cc(C)cc(OCCN)c1 Amb1065358 [0,2,0,0,0,0|2,0,0]=4 14390 B12R1.100 Cc1cc(C)cc(OCCN)c1 Amb6761307 [0,2,0,0,0,0|2,0,0]=4 14391 B12R1.100 Cc1cc(C)cc(OCCO)c1 Amb2209348 [0,2,0,0,0,0|1,0,0]=3 14392 B12R1.100 Cc1cc(C)cc(OCCS)c1 Amb6255880 [0,2,0,0,0,0|1,1,0]=4 14393 B12R1.100 Cc1cc(C)cc(SCCN)c1 Amb18909241 [0,2,0,0,0,0|2,0,0]=4 14394 B12R1.100 Cc1cc(C)cc(SCCO)c1 Amb2687601 [0,2,0,0,0,0|1,0,0]=3 14395 B12R1.100 Cc1cc(C)cc(\C=C\CO)c1 Amb23555572 [0,2,0,0,0,0|0,0,2]=4 14396 B12R1.100 Cc1cc(C)nc(CCCO)c1 Amb27950611 [0,2,0,0,0,0|1,0,0]=3 14397 B12R1.100 Cc1cc(CCCBr)cc(Cl)n1 Amb33432180 [0,2,0,0,0,0|2,0,0]=4 14398 B12R1.100 Cc1cc(CCCN)cc(Cl)n1 Amb33221503 [0,2,0,0,0,0|2,0,0]=4 14399 B12R1.100 Cc1cc(CCCO)cc(C)n1 Amb10573709 [0,2,0,0,0,0|1,0,0]=3 14400 B12R1.100 Cc1cc(CCCO)cc(Cl)n1 Amb33222298 [0,2,0,0,0,0|1,0,0]=3 14401 B12R1.100 Cc1cc(CCCS)cc(Cl)n1 Amb33222573 [0,2,0,0,0,0|1,1,0]=4 14402 B12R1.100 Cc1cc(Cl)cc(CCC=O)c1 Amb26511468 [0,2,0,0,0,0|0,0,2]=4 14403 B12R1.100 Cc1cc(Cl)cc(CCCBr)c1 Amb26542198 [0,2,0,0,0,0|1,0,0]=3 14404 B12R1.100 Cc1cc(Cl)cc(CCCCl)c1 Amb27795204 [0,2,0,0,0,0|1,0,0]=3 14405 B12R1.100 Cc1cc(Cl)cc(CCCN)c1 Amb25282299 [0,2,0,0,0,0|1,0,0]=3 14406 B12R1.100 Cc1cc(Cl)cc(OCCN)c1 Amb24410300 [0,2,0,0,0,0|2,0,0]=4 14407 B12R1.100 Cc1cc(F)cc(CCC#N)c1 Amb26444631 [0,2,0,0,0,0|1,0,1]=4 14408 B12R1.100 Cc1cc(F)cc(CCC=O)c1 Amb25839793 [0,2,0,0,0,0|0,0,2]=4 14409 B12R1.100 Cc1cc(F)cc(CCCBr)c1 Amb24453699 [0,2,0,0,0,0|1,0,0]=3 14410 B12R1.100 Cc1cc(F)cc(CCCCl)c1 Amb26438541 [0,2,0,0,0,0|1,0,0]=3 14411 B12R1.100 Cc1cc(F)cc(CCCN)c1 Amb27810787 [0,2,0,0,0,0|1,0,0]=3 14412 B12R1.100 Cc1cc(F)cc(CCCN)n1 Amb27764045 [0,2,0,0,0,0|2,0,0]=4 14413 B12R1.100 Cc1cc(F)cc(CCCO)c1 Amb25885068 [0,2,0,0,0,0|0,0,0]=2 14414 B12R1.100 Cc1cc(F)cc(CCCS)c1 Amb33342715 [0,2,0,0,0,0|0,1,0]=3 14415 B12R1.100 Cc1cc(F)cc(CCNN)c1 Amb24439958 [0,2,0,0,0,0|2,0,0]=4 14416 B12R1.100 Cc1cc(F)cc(CCON)c1 Amb33344722 [0,2,0,0,0,0|2,0,0]=4 14417 B12R1.100 Cc1cc(F)cc(NCCO)c1 Amb27616825 [0,2,0,0,0,0|1,0,0]=3 14418 B12R1.100 Cc1cc(F)cc(OCCN)c1 Amb26017626 [0,2,0,0,0,0|2,0,0]=4 14419 B12R1.100 Cc1cc(F)cc(\C=C\CO)c1 Amb33343440 [0,2,0,0,0,0|0,0,2]=4 14420 B12R1.100 Cc1cc(F)nc(CCCN)c1 Amb27879747 [0,2,0,0,0,0|2,0,0]=4 14421 B12R1.100 Cc1cc(I)cc(CCC#N)c1 Amb27423549 [0,2,0,0,0,0|1,0,1]=4 14422 B12R1.100 Cc1cc(I)cc(CCC=O)c1 Amb27614585 [0,2,0,0,0,0|0,0,2]=4 14423 B12R1.100 Cc1cc(I)cc(CCCCl)c1 Amb27423550 [0,2,0,0,0,0|1,0,0]=3 14424 B12R1.100 Cc1cc(I)cc(NCCF)c1 Amb35691127 [0,2,0,0,0,0|2,0,0]=4 14425 B12R1.100 Cc1cc(I)cc(NCCN)c1 Amb35691309 [0,2,0,0,0,0|2,0,0]=4 14426 B12R1.100 Cc1cc(N)cc(CCC=O)c1 Amb27616079 [0,2,0,0,0,0|0,0,2]=4 14427 B12R1.100 Cc1cc(N)cc(CCCBr)c1 Amb27616072 [0,2,0,0,0,0|1,0,0]=3 14428 B12R1.100 Cc1cc(N)cc(CCCCl)c1 Amb26952543 [0,2,0,0,0,0|1,0,0]=3 14429 B12R1.100 Cc1cc(N)cc(OCCO)c1 Amb25866723 [0,2,0,0,0,0|1,0,0]=3 14430 B12R1.100 Cc1cc(N)cc(OCCO)c1 Amb28600237 [0,2,0,0,0,0|1,0,0]=3 14431 B12R1.100 Cc1cc(O)cc(CCCBr)c1 Amb27646751 [0,2,0,0,0,0|1,0,0]=3 14432 B12R1.100 Cc1cc(O)cc(CCCN)c1 Amb28317912 [0,2,0,0,0,0|1,0,0]=3 14433 B12R1.100 Cc1cc(O)cc(OCCF)c1 Amb28195079 [0,2,0,0,0,0|2,0,0]=4 14434 B12R1.100 Cc1cc(S)cc(CCC#N)c1 Amb27200463 [0,2,0,0,0,0|1,0,1]=4 14435 B12R1.100 Cc1cc(S)cc(CCCCl)c1 Amb27193281 [0,2,0,0,0,0|1,0,0]=3 14436 B12R1.100 ClCCCc1cc(Br)cc(Br)c1 Amb26056603 [0,2,0,0,0,0|1,0,0]=3 14437 B12R1.100 ClCCCc1cc(Br)cc(I)c1 Amb27968123 [0,2,0,0,0,0|1,0,0]=3 14438 B12R1.100 ClCCCc1cc(Cl)cc(Br)c1 Amb27225584 [0,2,0,0,0,0|1,0,0]=3 14439 B12R1.100 ClCCNc1cc(Cl)cc(Cl)c1 Amb17343165 [0,2,0,0,0,0|2,0,0]=4 14440 B12R1.100 ClCCOc1cc(Cl)cc(Br)c1 Amb35654702 [0,2,0,0,0,0|2,0,0]=4 14441 B12R1.100 ClCCOc1cc(Cl)cc(Cl)c1 Amb9486366 [0,2,0,0,0,0|2,0,0]=4 14442 B12R1.100 Clc1cc(Br)cc(OCCBr)c1 Amb35654703 [0,2,0,0,0,0|2,0,0]=4 14443 B12R1.100 Clc1cc(CCCBr)cc(Cl)n1 Amb33336598 [0,2,0,0,0,0|2,0,0]=4 14444 B12R1.100 Clc1cc(Cl)cc(CCCBr)c1 Amb27217928 [0,2,0,0,0,0|1,0,0]=3 14445 B12R1.100 Clc1cc(Cl)cc(OCCBr)c1 Amb9486368 [0,2,0,0,0,0|2,0,0]=4 14446 B12R1.100 Clc1cc(Cl)nc(CCCBr)c1 Amb33432429 [0,2,0,0,0,0|2,0,0]=4 14447 B12R1.100 FCCNc1cc(Br)cc(Br)c1 Amb35725569 [0,2,0,0,0,0|2,0,0]=4 14448 B12R1.100 FCCNc1cc(F)cc(Br)c1 Amb27483275 [0,2,0,0,0,0|2,0,0]=4 14449 B12R1.100 FCCNc1cc(I)cc(I)c1 Amb35725585 [0,2,0,0,0,0|2,0,0]=4 14450 B12R1.100 FCCOc1cc(Cl)cc(Br)c1 Amb33712154 [0,2,0,0,0,0|2,0,0]=4 14451 B12R1.100 FCCOc1cc(F)cc(Br)c1 Amb28244148 [0,2,0,0,0,0|2,0,0]=4 14452 B12R1.100 Fc1cc(Br)cc(CCCBr)c1 Amb25804673 [0,2,0,0,0,0|1,0,0]=3 14453 B12R1.100 Fc1cc(Br)cc(CCCCl)c1 Amb26554664 [0,2,0,0,0,0|1,0,0]=3 14454 B12R1.100 Fc1cc(Br)cc(CCCS)c1 Amb33334480 [0,2,0,0,0,0|0,1,0]=3 14455 B12R1.100 Fc1cc(Br)cc(OCCBr)c1 Amb24465729 [0,2,0,0,0,0|2,0,0]=4 14456 B12R1.100 Fc1cc(Br)cc(OCCS)c1 Amb28436623 [0,2,0,0,0,0|1,1,0]=4 14457 B12R1.100 Fc1cc(Cl)cc(CCCBr)c1 Amb27844422 [0,2,0,0,0,0|1,0,0]=3 14458 B12R1.100 Fc1cc(Cl)cc(CCCCl)c1 Amb27259745 [0,2,0,0,0,0|1,0,0]=3 14459 B12R1.100 Fc1cc(Cl)cc(CCCS)c1 Amb33257431 [0,2,0,0,0,0|0,1,0]=3 14460 B12R1.100 Fc1cc(Cl)cc(CC[Zn]Br)c1 Amb22000505 [0,2,0,0,0,0|2,0,0]=4 14461 B12R1.100 Fc1cc(F)cc(CCCBr)c1 Amb25034793 [0,2,0,0,0,0|1,0,0]=3 14462 B12R1.100 Fc1cc(F)cc(CCCCl)c1 Amb25152291 [0,2,0,0,0,0|1,0,0]=3 14463 B12R1.100 Fc1cc(F)cc(CCCS)c1 Amb33313138 [0,2,0,0,0,0|0,1,0]=3 14464 B12R1.100 Fc1cc(F)cc(OCCBr)c1 Amb28325555 [0,2,0,0,0,0|2,0,0]=4 14465 B12R1.100 Fc1cc(S)cc(CCCBr)c1 Amb27622871 [0,2,0,0,0,0|1,0,0]=3 14466 B12R1.100 Fc1cc(S)cc(CCCCl)c1 Amb27654254 [0,2,0,0,0,0|1,0,0]=3 14467 B12R1.100 N#CCCc1cc(Cl)cc(Br)c1 Amb24664557 [0,2,0,0,0,0|1,0,1]=4 14468 B12R1.100 N#CCCc1cc(Cl)cc(Cl)c1 Amb17204387 [0,2,0,0,0,0|1,0,1]=4 14469 B12R1.100 N#CCCc1cc(F)cc(Br)c1 Amb28457038 [0,2,0,0,0,0|1,0,1]=4 14470 B12R1.100 N#CCCc1cc(F)cc(Cl)c1 Amb27844421 [0,2,0,0,0,0|1,0,1]=4 14471 B12R1.100 N#CCCc1cc(F)cc(F)c1 Amb27592429 [0,2,0,0,0,0|1,0,1]=4 14472 B12R1.100 N#CCCc1cc(F)cc(I)c1 Amb27779257 [0,2,0,0,0,0|1,0,1]=4 14473 B12R1.100 N#CCCc1cc(N)cc(Cl)c1 Amb27634328 [0,2,0,0,0,0|1,0,1]=4 14474 B12R1.100 N#CCCc1cc(O)cc(Cl)c1 Amb27428166 [0,2,0,0,0,0|1,0,1]=4 14475 B12R1.100 NCCCc1cc(Cl)cc(Br)c1 Amb26372539 [0,2,0,0,0,0|1,0,0]=3 14476 B12R1.100 NCCCc1cc(Cl)cc(Cl)c1 Amb17204406 [0,2,0,0,0,0|1,0,0]=3 14477 B12R1.100 NCCCc1cc(Cl)nc(Cl)c1 Amb25323951 [0,2,0,0,0,0|2,0,0]=4 14478 B12R1.100 NCCCc1cc(F)cc(Br)c1 Amb25795729 [0,2,0,0,0,0|1,0,0]=3 14479 B12R1.100 NCCCc1cc(F)cc(Cl)c1 Amb25709208 [0,2,0,0,0,0|1,0,0]=3 14480 B12R1.100 NCCCc1cc(F)cc(F)c1 Amb18126758 [0,2,0,0,0,0|1,0,0]=3 14481 B12R1.100 NCCCc1cc(F)cc(I)c1 Amb28043408 [0,2,0,0,0,0|1,0,0]=3 14482 B12R1.100 NCCCc1cc(O)cc(Br)c1 Amb25045372 [0,2,0,0,0,0|1,0,0]=3 14483 B12R1.100 NCCCc1cc(O)cc(Cl)c1 Amb25710883 [0,2,0,0,0,0|1,0,0]=3 14484 B12R1.100 NCCCc1cc(O)cc(F)c1 Amb26489273 [0,2,0,0,0,0|1,0,0]=3 14485 B12R1.100 NCCCc1cc(O)cc(O)c1 Amb25113881 [0,2,0,0,0,0|1,0,0]=3 14486 B12R1.100 NCCNc1cc(Br)cc(Br)c1 Amb35721403 [0,2,0,0,0,0|2,0,0]=4 14487 B12R1.100 NCCNc1cc(Cl)cc(Cl)c1 Amb17091083 [0,2,0,0,0,0|2,0,0]=4 14488 B12R1.100 NCCNc1cc(I)cc(I)c1 Amb35721005 [0,2,0,0,0,0|2,0,0]=4 14489 B12R1.100 NCCNc1cc(N)cc(F)c1 Amb18991515 [0,2,0,0,0,0|2,0,0]=4 14490 B12R1.100 NCCOc1cc(Cl)cc(Br)c1 Amb25034906 [0,2,0,0,0,0|2,0,0]=4 14491 B12R1.100 NCCOc1cc(Cl)cc(Cl)c1 Amb5781222 [0,2,0,0,0,0|2,0,0]=4 14492 B12R1.100 NCCOc1cc(F)cc(Br)c1 Amb24389824 [0,2,0,0,0,0|2,0,0]=4 14493 B12R1.100 NCCOc1cc(F)cc(Cl)c1 Amb26640528 [0,2,0,0,0,0|2,0,0]=4 14494 B12R1.100 NCCOc1cc(F)cc(F)c1 Amb18997300 [0,2,0,0,0,0|2,0,0]=4 14495 B12R1.100 NCCOc1cc(F)cc(F)c1 Amb31192446 [0,2,0,0,0,0|2,0,0]=4 14496 B12R1.100 NCCSc1cc(Cl)cc(Cl)c1 Amb27865931 [0,2,0,0,0,0|2,0,0]=4 14497 B12R1.100 NNCCc1cc(F)cc(F)c1 Amb17400365 [0,2,0,0,0,0|2,0,0]=4 14498 B12R1.100 NOCCc1cc(Cl)cc(Br)c1 Amb33435589 [0,2,0,0,0,0|2,0,0]=4 14499 B12R1.100 NOCCc1cc(Cl)cc(Cl)c1 Amb33259321 [0,2,0,0,0,0|2,0,0]=4 14500 B12R1.100 NOCCc1cc(F)cc(Br)c1 Amb33334129 [0,2,0,0,0,0|2,0,0]=4 14501 B12R1.100 NOCCc1cc(F)cc(Cl)c1 Amb33256709 [0,2,0,0,0,0|2,0,0]=4 14502 B12R1.100 NOCCc1cc(F)cc(F)c1 Amb26000057 [0,2,0,0,0,0|2,0,0]=4 14503 B12R1.100 Nc1cc(Br)cc(CCCBr)c1 Amb27669877 [0,2,0,0,0,0|1,0,0]=3 14504 B12R1.100 Nc1cc(Br)cc(CCCCl)c1 Amb27847019 [0,2,0,0,0,0|1,0,0]=3 14505 B12R1.100 Nc1cc(Br)cc(OCCF)c1 Amb27847475 [0,2,0,0,0,0|2,0,0]=4 14506 B12R1.100 Nc1cc(Cl)cc(CCCBr)c1 Amb27633298 [0,2,0,0,0,0|1,0,0]=3 14507 B12R1.100 Nc1cc(Cl)cc(CCCCl)c1 Amb27462626 [0,2,0,0,0,0|1,0,0]=3 14508 B12R1.100 Nc1cc(Cl)nc(OCCO)c1 Amb27857082 [0,2,0,0,0,0|2,0,0]=4 14509 B12R1.100 Nc1cc(F)cc(CCC=O)c1 Amb27798933 [0,2,0,0,0,0|0,0,2]=4 14510 B12R1.100 Nc1cc(F)cc(CCCCl)c1 Amb27971146 [0,2,0,0,0,0|1,0,0]=3 14511 B12R1.100 Nc1cc(F)cc(OCCF)c1 Amb32939663 [0,2,0,0,0,0|2,0,0]=4 14512 B12R1.100 Nc1cc(F)cc(OCCO)c1 Amb25703510 [0,2,0,0,0,0|1,0,0]=3 14513 B12R1.100 Nc1cc(F)cc(SCCF)c1 Amb27622529 [0,2,0,0,0,0|2,0,0]=4 14514 B12R1.100 Nc1cc(N)cc(CCC=O)c1 Amb27665955 [0,2,0,0,0,0|0,0,2]=4 14515 B12R1.100 Nc1cc(O)cc(CCCBr)c1 Amb27616172 [0,2,0,0,0,0|1,0,0]=3 14516 B12R1.100 Nc1cc(S)cc(CCCBr)c1 Amb27259728 [0,2,0,0,0,0|1,0,0]=3 14517 B12R1.100 O=CCCc1cc(Br)cc(Br)c1 Amb26349656 [0,2,0,0,0,0|0,0,2]=4 14518 B12R1.100 O=CCCc1cc(Br)cc(I)c1 Amb27836304 [0,2,0,0,0,0|0,0,2]=4 14519 B12R1.100 O=CCCc1cc(Cl)cc(Br)c1 Amb26880746 [0,2,0,0,0,0|0,0,2]=4 14520 B12R1.100 O=CCCc1cc(Cl)cc(Cl)c1 Amb18066575 [0,2,0,0,0,0|0,0,2]=4 14521 B12R1.100 O=CCCc1cc(F)cc(Br)c1 Amb26850424 [0,2,0,0,0,0|0,0,2]=4 14522 B12R1.100 O=CCCc1cc(F)cc(Cl)c1 Amb6306224 [0,2,0,0,0,0|0,0,2]=4 14523 B12R1.100 O=CCCc1cc(F)cc(F)c1 Amb25149927 [0,2,0,0,0,0|0,0,2]=4 14524 B12R1.100 O=CCCc1cc(F)cc(I)c1 Amb25104319 [0,2,0,0,0,0|0,0,2]=4 14525 B12R1.100 O=CCCc1cc(I)cc(I)c1 Amb28199256 [0,2,0,0,0,0|0,0,2]=4 14526 B12R1.100 O=CCCc1cc(O)cc(Cl)c1 Amb27222112 [0,2,0,0,0,0|0,0,2]=4 14527 B12R1.100 O=CCCc1cc(O)cc(F)c1 Amb28057761 [0,2,0,0,0,0|0,0,2]=4 14528 B12R1.100 O=CCCc1cc(O)cc(I)c1 Amb27841377 [0,2,0,0,0,0|0,0,2]=4 14529 B12R1.100 O=CCCc1cc(O)cc(S)c1 Amb27423591 [0,2,0,0,0,0|0,0,2]=4 14530 B12R1.100 O=CCCc1cc(S)cc(Cl)c1 Amb27428156 [0,2,0,0,0,0|0,0,2]=4 14531 B12R1.100 OCC#Cc1cc(Cl)cc(Cl)c1 Amb9777272 [0,2,0,0,0,0|0,0,2]=4 14532 B12R1.100 OCCCc1cc(Cl)cc(Br)c1 Amb25150113 [0,2,0,0,0,0|0,0,0]=2 14533 B12R1.100 OCCCc1cc(Cl)cc(Cl)c1 Amb17605792 [0,2,0,0,0,0|0,0,0]=2 14534 B12R1.100 OCCCc1cc(Cl)nc(Cl)c1 Amb33258146 [0,2,0,0,0,0|1,0,0]=3 14535 B12R1.100 OCCCc1cc(F)cc(Br)c1 Amb24453157 [0,2,0,0,0,0|0,0,0]=2 14536 B12R1.100 OCCCc1cc(F)cc(Cl)c1 Amb24673776 [0,2,0,0,0,0|0,0,0]=2 14537 B12R1.100 OCCCc1cc(F)cc(F)c1 Amb24094063 [0,2,0,0,0,0|0,0,0]=2 14538 B12R1.100 OCCCc1cc(O)cc(O)c1 Amb24674121 [0,2,0,0,0,0|0,0,0]=2 14539 B12R1.100 OCCNc1cc(Br)cc(Br)c1 Amb35725568 [0,2,0,0,0,0|1,0,0]=3 14540 B12R1.100 OCCNc1cc(Cl)cc(Br)c1 Amb27829336 [0,2,0,0,0,0|1,0,0]=3 14541 B12R1.100 OCCNc1cc(Cl)cc(Cl)c1 Amb6710435 [0,2,0,0,0,0|1,0,0]=3 14542 B12R1.100 OCCNc1cc(F)cc(Br)c1 Amb27467107 [0,2,0,0,0,0|1,0,0]=3 14543 B12R1.100 OCCOc1cc(Br)nc(Br)c1 Amb27186064 [0,2,0,0,0,0|2,0,0]=4 14544 B12R1.100 OCCOc1cc(Cl)cc(Br)c1 Amb35646533 [0,2,0,0,0,0|1,0,0]=3 14545 B12R1.100 OCCOc1cc(Cl)cc(Cl)c1 Amb9281158 [0,2,0,0,0,0|1,0,0]=3 14546 B12R1.100 OCCOc1cc(F)cc(Br)c1 Amb25344156 [0,2,0,0,0,0|1,0,0]=3 14547 B12R1.100 OCCOc1cc(I)nc(I)c1 Amb27441965 [0,2,0,0,0,0|2,0,0]=4 14548 B12R1.100 OCCSc1cc(Cl)cc(Br)c1 Amb25680612 [0,2,0,0,0,0|1,0,0]=3 14549 B12R1.100 OCCSc1cc(Cl)cc(Cl)c1 Amb2686955 [0,2,0,0,0,0|1,0,0]=3 14550 B12R1.100 OCCSc1cc(F)cc(Cl)c1 Amb30982908 [0,2,0,0,0,0|1,0,0]=3 14551 B12R1.100 OC\C=C\c1cc(Br)cc(Br)c1 Amb27658308 [0,2,0,0,0,0|0,0,2]=4 14552 B12R1.100 OC\C=C\c1cc(Cl)cc(Br)c1 Amb33435590 [0,2,0,0,0,0|0,0,2]=4 14553 B12R1.100 OC\C=C\c1cc(Cl)cc(Cl)c1 Amb26597273 [0,2,0,0,0,0|0,0,2]=4 14554 B12R1.100 OC\C=C\c1cc(F)cc(Br)c1 Amb28385983 [0,2,0,0,0,0|0,0,2]=4 14555 B12R1.100 OC\C=C\c1cc(F)cc(Cl)c1 Amb33262259 [0,2,0,0,0,0|0,0,2]=4 14556 B12R1.100 OC\C=C\c1cc(F)cc(F)c1 Amb19889731 [0,2,0,0,0,0|0,0,2]=4 14557 B12R1.100 Oc1cc(Br)cc(CCCBr)c1 Amb27638927 [0,2,0,0,0,0|1,0,0]=3 14558 B12R1.100 Oc1cc(Br)cc(CCCCl)c1 Amb25981628 [0,2,0,0,0,0|1,0,0]=3 14559 B12R1.100 Oc1cc(Cl)cc(CCCBr)c1 Amb27848594 [0,2,0,0,0,0|1,0,0]=3 14560 B12R1.100 Oc1cc(F)cc(CCCBr)c1 Amb27423569 [0,2,0,0,0,0|1,0,0]=3 14561 B12R1.100 Oc1cc(O)cc(CCCCl)c1 Amb27192381 [0,2,0,0,0,0|1,0,0]=3 14562 B12R1.100 Oc1cc(S)cc(CCCBr)c1 Amb27647076 [0,2,0,0,0,0|1,0,0]=3 14563 B12R1.100 SCCCc1cc(Cl)cc(Br)c1 Amb33435641 [0,2,0,0,0,0|0,1,0]=3 14564 B12R1.100 SCCCc1cc(Cl)cc(Cl)c1 Amb33261437 [0,2,0,0,0,0|0,1,0]=3 14565 B12R1.100 SCCCc1cc(Cl)nc(Cl)c1 Amb33413923 [0,2,0,0,0,0|1,1,0]=4 14566 B12R1.100 SCCOc1cc(Cl)cc(Br)c1 Amb35638900 [0,2,0,0,0,0|1,1,0]=4 14567 B12R1.100 SCCOc1cc(Cl)cc(Cl)c1 Amb17245967 [0,2,0,0,0,0|1,1,0]=4 14568 B12R1.100 Sc1cc(Br)cc(CCCBr)c1 Amb27614076 [0,2,0,0,0,0|1,0,0]=3 14569 B12R1.100 Sc1cc(Cl)cc(CCCBr)c1 Amb27200570 [0,2,0,0,0,0|1,0,0]=3 14570 B12R1.100 Sc1cc(I)cc(CCCCl)c1 Amb27634016 [0,2,0,0,0,0|1,0,0]=3 14571 B12R1.100 [C-]#[N+]CCc1cc(C)cc(Br)c1 Amb33430276 [0,2,0,0,0,0|2,0,0]=4 14572 B12R1.100 [C-]#[N+]CCc1cc(C)cc(C)c1 Amb33376133 [0,2,0,0,0,0|2,0,0]=4 14573 B12R1.100 [C-]#[N+]CCc1cc(C)cc(F)c1 Amb33343841 [0,2,0,0,0,0|2,0,0]=4 14574 B12R1.100 [C-]#[N+]CCc1cc(Cl)cc(Br)c1 Amb33435159 [0,2,0,0,0,0|2,0,0]=4 14575 B12R1.100 [C-]#[N+]CCc1cc(Cl)cc(Cl)c1 Amb33258767 [0,2,0,0,0,0|2,0,0]=4 14576 B12R1.100 [C-]#[N+]CCc1cc(F)cc(Br)c1 Amb33435025 [0,2,0,0,0,0|2,0,0]=4 14577 B12R1.100 [C-]#[N+]CCc1cc(F)cc(Cl)c1 Amb33256715 [0,2,0,0,0,0|2,0,0]=4 14578 B12R1.100 [C-]#[N+]CCc1cc(F)cc(F)c1 Amb33313626 [0,2,0,0,0,0|2,0,0]=4 14579 B12R1.226 C=C(C)CCc1cccc(O)c1 Amb8388640 [0,2,0,0,0,0|1,0,1]=4 14580 B12R1.226 CC(=O)CCc1cccc(Br)c1 Amb9031557 [0,2,0,0,0,0|0,0,2]=4 14581 B12R1.226 CC(=O)CCc1cccc(C)c1 Amb8869632 [0,2,0,0,0,0|0,0,2]=4 14582 B12R1.226 CC(=O)CCc1cccc(Cl)c1 Amb9031572 [0,2,0,0,0,0|0,0,2]=4 14583 B12R1.226 CC(=O)CCc1cccc(F)c1 Amb9031555 [0,2,0,0,0,0|0,0,2]=4 14584 B12R1.226 CC(=O)CCc1cccc(N)c1 Amb26452029 [0,2,0,0,0,0|0,0,2]=4 14585 B12R1.226 CC(=O)CCc1cccc(O)c1 Amb18646057 [0,2,0,0,0,0|0,0,2]=4 14586 B12R1.226 CC(Br)CCc1cncc(Br)c1 Amb27640811 [0,2,0,0,0,0|2,0,0]=4 14587 B12R1.226 CC(Br)COc1cccc(F)c1 Amb27615301 [0,2,0,0,0,0|2,0,0]=4 14588 B12R1.226 CC(C)CC[n+]1cccc(Br)c1 Amb28370559 [0,2,0,0,0,0|2,0,0]=4 14589 B12R1.226 CC(C)CC[n+]1cccc(O)c1 Amb28139479 [0,2,0,0,0,0|2,0,0]=4 14590 B12R1.226 CC(C)CCc1cc(N)ccn1 Amb25876673 [0,2,0,0,0,0|2,0,0]=4 14591 B12R1.226 CC(C)CCc1cccc(N)c1 Amb27143902 [0,2,0,0,0,0|1,0,0]=3 14592 B12R1.226 CC(C)CCc1ccnc(N)c1 Amb18828684 [0,2,0,0,0,0|2,0,0]=4 14593 B12R1.226 CC(C)CNc1cccc(Br)c1 Amb6696597 [0,2,0,0,0,0|2,0,0]=4 14594 B12R1.226 CC(C)CNc1cccc(Cl)c1 Amb28555675 [0,2,0,0,0,0|2,0,0]=4 14595 B12R1.226 CC(C)CNc1cccc(Cl)c1 Amb6695671 [0,2,0,0,0,0|2,0,0]=4 14596 B12R1.226 CC(C)CNc1cccc(F)c1 Amb6695788 [0,2,0,0,0,0|2,0,0]=4 14597 B12R1.226 CC(C)CNc1cccc(I)c1 Amb7785404 [0,2,0,0,0,0|2,0,0]=4 14598 B12R1.226 CC(C)CNc1cccc(O)c1 Amb6734803 [0,2,0,0,0,0|2,0,0]=4 14599 B12R1.226 CC(C)COc1cccc(Br)c1 Amb6665073 [0,2,0,0,0,0|2,0,0]=4 14600 B12R1.226 CC(C)COc1cccc(Cl)c1 Amb24484227 [0,2,0,0,0,0|2,0,0]=4 14601 B12R1.226 CC(C)COc1cccc(F)c1 Amb27976580 [0,2,0,0,0,0|2,0,0]=4 14602 B12R1.226 CC(C)COc1cccc(N)c1 Amb1133931 [0,2,0,0,0,0|2,0,0]=4 14603 B12R1.226 CC(C)COc1cccc(N)c1 Amb2140554 [0,2,0,0,0,0|2,0,0]=4 14604 B12R1.226 CC(C)COc1cccc(O)c1 Amb8837440 [0,2,0,0,0,0|2,0,0]=4 14605 B12R1.226 CC(C)CSc1cccc(Br)c1 Amb22227900 [0,2,0,0,0,0|2,0,0]=4 14606 B12R1.226 CC(C)CSc1cccc(F)c1 Amb27595407 [0,2,0,0,0,0|2,0,0]=4 14607 B12R1.226 CC(C)CSc1cccc(N)c1 Amb18289365 [0,2,0,0,0,0|2,0,0]=4 14608 B12R1.226 CC(C)CSc1cccc(O)c1 Amb25207683 [0,2,0,0,0,0|2,0,0]=4 14609 B12R1.226 CC(C)CSc1cccc(S)c1 Amb26936306 [0,2,0,0,0,0|2,0,0]=4 14610 B12R1.226 CC(C)NCc1cccc(Br)c1 Amb2118534 [0,2,0,0,0,0|2,0,0]=4 14611 B12R1.226 CC(C)NCc1cccc(Br)c1 Amb6242436 [0,2,0,0,0,0|2,0,0]=4 14612 B12R1.226 CC(C)NCc1cccc(Cl)c1 Amb2118749 [0,2,0,0,0,0|2,0,0]=4 14613 B12R1.226 CC(C)NCc1cccc(Cl)c1 Amb4303628 [0,2,0,0,0,0|2,0,0]=4 14614 B12R1.226 CC(C)NCc1cccc(F)c1 Amb20673453 [0,2,0,0,0,0|2,0,0]=4 14615 B12R1.226 CC(C)NCc1cccc(F)c1 Amb6247878 [0,2,0,0,0,0|2,0,0]=4 14616 B12R1.226 CC(C)NCc1cccc(I)c1 Amb27628612 [0,2,0,0,0,0|2,0,0]=4 14617 B12R1.226 CC(C)NCc1cccc(N)c1 Amb18290344 [0,2,0,0,0,0|2,0,0]=4 14618 B12R1.226 CC(C)NCc1cccc(O)c1 Amb19891164 [0,2,0,0,0,0|2,0,0]=4 14619 B12R1.226 CC(C)NCc1cccc(O)c1 Amb6685529 [0,2,0,0,0,0|2,0,0]=4 14620 B12R1.226 CC(C)NCc1cccc(S)c1 Amb28241646 [0,2,0,0,0,0|2,0,0]=4 14621 B12R1.226 CC(C)OCc1cccc(Br)c1 Amb22058979 [0,2,0,0,0,0|2,0,0]=4 14622 B12R1.226 CC(C)OCc1cccc(N)c1 Amb6249503 [0,2,0,0,0,0|2,0,0]=4 14623 B12R1.226 CC(C)OCc1cccc(O)c1 Amb23443320 [0,2,0,0,0,0|2,0,0]=4 14624 B12R1.226 CC(C)OCc1cccc(S)c1 Amb28066602 [0,2,0,0,0,0|2,0,0]=4 14625 B12R1.226 CC(C)SCc1cccc(N)c1 Amb18289436 [0,2,0,0,0,0|2,0,0]=4 14626 B12R1.226 CC(Cl)CCc1cccc(Br)c1 Amb28059417 [0,2,0,0,0,0|1,0,0]=3 14627 B12R1.226 CC(Cl)CCc1cccc(Cl)c1 Amb27806924 [0,2,0,0,0,0|1,0,0]=3 14628 B12R1.226 CC(Cl)CNc1cccc(Cl)c1 Amb28366509 [0,2,0,0,0,0|2,0,0]=4 14629 B12R1.226 CC(Cl)COc1cccc(F)c1 Amb27878782 [0,2,0,0,0,0|2,0,0]=4 14630 B12R1.226 CC(F)COc1cccc(N)c1 Amb27440905 [0,2,0,0,0,0|2,0,0]=4 14631 B12R1.226 CC(F)COc1cccc(O)c1 Amb27238896 [0,2,0,0,0,0|2,0,0]=4 14632 B12R1.226 CC(N)CCc1cc(F)ccn1 Amb33320296 [0,2,0,0,0,0|2,0,0]=4 14633 B12R1.226 CC(N)CCc1cccc(Br)c1 Amb8869696 [0,2,0,0,0,0|1,0,0]=3 14634 B12R1.226 CC(N)CCc1cccc(Br)n1 Amb33433156 [0,2,0,0,0,0|2,0,0]=4 14635 B12R1.226 CC(N)CCc1cccc(Cl)c1 Amb9031773 [0,2,0,0,0,0|1,0,0]=3 14636 B12R1.226 CC(N)CCc1cccc(Cl)n1 Amb33222401 [0,2,0,0,0,0|2,0,0]=4 14637 B12R1.226 CC(N)CCc1cccc(F)c1 Amb8869695 [0,2,0,0,0,0|1,0,0]=3 14638 B12R1.226 CC(N)CCc1cccc(O)c1 Amb18828241 [0,2,0,0,0,0|1,0,0]=3 14639 B12R1.226 CC(N)CCc1cncc(Br)c1 Amb26956031 [0,2,0,0,0,0|2,0,0]=4 14640 B12R1.226 CC(N)CCc1cncc(F)c1 Amb24513769 [0,2,0,0,0,0|2,0,0]=4 14641 B12R1.226 CC(N)CNc1cccc(Br)c1 Amb25674799 [0,2,0,0,0,0|2,0,0]=4 14642 B12R1.226 CC(N)CNc1cccc(Cl)c1 Amb26422155 [0,2,0,0,0,0|2,0,0]=4 14643 B12R1.226 CC(N)CNc1cccc(F)c1 Amb26017767 [0,2,0,0,0,0|2,0,0]=4 14644 B12R1.226 CC(N)COc1cccc(Br)c1 Amb17062517 [0,2,0,0,0,0|2,0,0]=4 14645 B12R1.226 CC(N)COc1cccc(Cl)c1 Amb22642660 [0,2,0,0,0,0|2,0,0]=4 14646 B12R1.226 CC(N)COc1cccc(F)c1 Amb1142128 [0,2,0,0,0,0|2,0,0]=4 14647 B12R1.226 CC(N)CSc1cccc(Br)c1 Amb28143473 [0,2,0,0,0,0|2,0,0]=4 14648 B12R1.226 CC(N)CSc1cccc(Cl)c1 Amb18066336 [0,2,0,0,0,0|2,0,0]=4 14649 B12R1.226 CC(N)CSc1cccc(F)c1 Amb28386333 [0,2,0,0,0,0|2,0,0]=4 14650 B12R1.226 CC(N)CSc1cccc(N)c1 Amb27806846 [0,2,0,0,0,0|2,0,0]=4 14651 B12R1.226 CC(O)C#Cc1cccc(Br)c1 Amb9777261 [0,2,0,0,0,0|0,0,2]=4 14652 B12R1.226 CC(O)C#Cc1cccc(Cl)c1 Amb9777258 [0,2,0,0,0,0|0,0,2]=4 14653 B12R1.226 CC(O)C#Cc1cccc(F)c1 Amb9777255 [0,2,0,0,0,0|0,0,2]=4 14654 B12R1.226 CC(O)CCc1cc(F)ccn1 Amb33320294 [0,2,0,0,0,0|1,0,0]=3 14655 B12R1.226 CC(O)CCc1cccc(Br)c1 Amb27972790 [0,2,0,0,0,0|0,0,0]=2 14656 B12R1.226 CC(O)CCc1cccc(Br)n1 Amb33433159 [0,2,0,0,0,0|1,0,0]=3 14657 B12R1.226 CC(O)CCc1cccc(Cl)c1 Amb19075161 [0,2,0,0,0,0|0,0,0]=2 14658 B12R1.226 CC(O)CCc1cccc(Cl)n1 Amb33480314 [0,2,0,0,0,0|1,0,0]=3 14659 B12R1.226 CC(O)CCc1cccc(F)c1 Amb18805846 [0,2,0,0,0,0|0,0,0]=2 14660 B12R1.226 CC(O)CCc1cccc(N)c1 Amb27482979 [0,2,0,0,0,0|0,0,0]=2 14661 B12R1.226 CC(O)CCc1cccc(O)c1 Amb25251886 [0,2,0,0,0,0|0,0,0]=2 14662 B12R1.226 CC(O)CCc1cncc(Br)c1 Amb26013792 [0,2,0,0,0,0|1,0,0]=3 14663 B12R1.226 CC(O)CCc1cncc(F)c1 Amb26539372 [0,2,0,0,0,0|1,0,0]=3 14664 B12R1.226 CC(O)CNc1cccc(Br)c1 Amb17142611 [0,2,0,0,0,0|1,0,0]=3 14665 B12R1.226 CC(O)CNc1cccc(Cl)c1 Amb17139126 [0,2,0,0,0,0|1,0,0]=3 14666 B12R1.226 CC(O)CNc1cccc(F)c1 Amb17138652 [0,2,0,0,0,0|1,0,0]=3 14667 B12R1.226 CC(O)CNc1ccnc(Cl)c1 Amb27454399 [0,2,0,0,0,0|2,0,0]=4 14668 B12R1.226 CC(O)CNc1cncc(Br)c1 Amb26470634 [0,2,0,0,0,0|2,0,0]=4 14669 B12R1.226 CC(O)CNc1cncc(Cl)c1 Amb35706921 [0,2,0,0,0,0|2,0,0]=4 14670 B12R1.226 CC(O)CNc1cncc(F)c1 Amb27826221 [0,2,0,0,0,0|2,0,0]=4 14671 B12R1.226 CC(O)COc1cccc(Cl)c1 Amb28122899 [0,2,0,0,0,0|1,0,0]=3 14672 B12R1.226 CC(O)COc1cccc(F)c1 Amb18806456 [0,2,0,0,0,0|1,0,0]=3 14673 B12R1.226 CC(O)CSc1cccc(Br)c1 Amb27759812 [0,2,0,0,0,0|1,0,0]=3 14674 B12R1.226 CC(O)\C=C\c1cccc(Br)c1 Amb25098989 [0,2,0,0,0,0|0,0,2]=4 14675 B12R1.226 CC(O)\C=C\c1cccc(Cl)c1 Amb24590748 [0,2,0,0,0,0|0,0,2]=4 14676 B12R1.226 CC(O)\C=C\c1cccc(F)c1 Amb25730368 [0,2,0,0,0,0|0,0,2]=4 14677 B12R1.226 CC(O)\C=C\c1cccc(I)c1 Amb27644961 [0,2,0,0,0,0|0,0,2]=4 14678 B12R1.226 CN(C)CCc1cccc(Br)c1 Amb27494881 [0,2,0,0,0,0|2,0,0]=4 14679 B12R1.226 CN(C)CCc1cccc(N)c1 Amb17050647 [0,2,0,0,0,0|2,0,0]=4 14680 B12R1.226 CN(N)CCc1cccc(Br)c1 Amb18571910 [0,2,0,0,0,0|2,0,0]=4 14681 B12R1.226 CN(N)CCc1cccc(Cl)c1 Amb18564317 [0,2,0,0,0,0|2,0,0]=4 14682 B12R1.226 C[C@@H](N)CCc1cc(F)ccn1 Amb33320291 [0,2,0,0,0,0|2,0,0]=4 14683 B12R1.226 C[C@@H](N)CCc1cccc(Br)c1 Amb33450644 [0,2,0,0,0,0|1,0,0]=3 14684 B12R1.226 C[C@@H](N)CCc1cccc(Br)n1 Amb33433130 [0,2,0,0,0,0|2,0,0]=4 14685 B12R1.226 C[C@@H](N)CCc1cccc(Cl)c1 Amb33406773 [0,2,0,0,0,0|1,0,0]=3 14686 B12R1.226 C[C@@H](N)CCc1cccc(Cl)n1 Amb33222419 [0,2,0,0,0,0|2,0,0]=4 14687 B12R1.226 C[C@@H](N)CCc1cccc(F)c1 Amb27412991 [0,2,0,0,0,0|1,0,0]=3 14688 B12R1.226 C[C@@H](N)CCc1cccc(N)c1 Amb27460201 [0,2,0,0,0,0|1,0,0]=3 14689 B12R1.226 C[C@@H](N)CCc1cccc(O)c1 Amb27435608 [0,2,0,0,0,0|1,0,0]=3 14690 B12R1.226 C[C@@H](N)CCc1cncc(Br)c1 Amb33476978 [0,2,0,0,0,0|2,0,0]=4 14691 B12R1.226 C[C@@H](N)CCc1cncc(F)c1 Amb33196285 [0,2,0,0,0,0|2,0,0]=4 14692 B12R1.226 C[C@@H](N)COc1cccc(Br)c1 Amb18036076 [0,2,0,0,0,0|2,0,0]=4 14693 B12R1.226 C[C@@H](N)COc1cccc(Cl)c1 Amb18538519 [0,2,0,0,0,0|2,0,0]=4 14694 B12R1.226 C[C@@H](N)COc1cccc(F)c1 Amb18538500 [0,2,0,0,0,0|2,0,0]=4 14695 B12R1.226 C[C@@H](N)COc1cccc(I)c1 Amb30012129 [0,2,0,0,0,0|2,0,0]=4 14696 B12R1.226 C[C@@H](O)CCc1cc(F)ccn1 Amb33320292 [0,2,0,0,0,0|1,0,0]=3 14697 B12R1.226 C[C@@H](O)CCc1cccc(Br)c1 Amb33451604 [0,2,0,0,0,0|0,0,0]=2 14698 B12R1.226 C[C@@H](O)CCc1cccc(Br)n1 Amb33433124 [0,2,0,0,0,0|1,0,0]=3 14699 B12R1.226 C[C@@H](O)CCc1cccc(Cl)c1 Amb33223349 [0,2,0,0,0,0|0,0,0]=2 14700 B12R1.226 C[C@@H](O)CCc1cccc(Cl)n1 Amb33222413 [0,2,0,0,0,0|1,0,0]=3 14701 B12R1.226 C[C@@H](O)CCc1cccc(F)c1 Amb33316033 [0,2,0,0,0,0|0,0,0]=2 14702 B12R1.226 C[C@@H](O)CCc1cccc(O)c1 Amb33310960 [0,2,0,0,0,0|0,0,0]=2 14703 B12R1.226 C[C@@H](O)CCc1cncc(Br)c1 Amb33476974 [0,2,0,0,0,0|1,0,0]=3 14704 B12R1.226 C[C@@H](O)CCc1cncc(F)c1 Amb33196286 [0,2,0,0,0,0|1,0,0]=3 14705 B12R1.226 C[C@@H](O)CNc1cccc(Br)c1 Amb28244268 [0,2,0,0,0,0|1,0,0]=3 14706 B12R1.226 C[C@@H](O)CNc1cccc(Cl)c1 Amb28249854 [0,2,0,0,0,0|1,0,0]=3 14707 B12R1.226 C[C@@H](O)CNc1cncc(Br)c1 Amb26658381 [0,2,0,0,0,0|2,0,0]=4 14708 B12R1.226 C[C@@H](O)CNc1cncc(Cl)c1 Amb35706923 [0,2,0,0,0,0|2,0,0]=4 14709 B12R1.226 C[C@@H](O)COc1cccc(F)c1 Amb28185209 [0,2,0,0,0,0|1,0,0]=3 14710 B12R1.226 C[C@@H](O)COc1cccc(I)c1 Amb28383962 [0,2,0,0,0,0|1,0,0]=3 14711 B12R1.226 C[C@@H](O)COc1cncc(F)c1 Amb27414974 [0,2,0,0,0,0|2,0,0]=4 14712 B12R1.226 C[C@@H](O)CSc1cccc(Cl)c1 Amb28244187 [0,2,0,0,0,0|1,0,0]=3 14713 B12R1.226 C[C@@H](O)CSc1cccc(F)c1 Amb27398997 [0,2,0,0,0,0|1,0,0]=3 14714 B12R1.226 C[C@H](N)CCc1cc(F)ccn1 Amb33320289 [0,2,0,0,0,0|2,0,0]=4 14715 B12R1.226 C[C@H](N)CCc1cccc(Br)c1 Amb24683805 [0,2,0,0,0,0|1,0,0]=3 14716 B12R1.226 C[C@H](N)CCc1cccc(Br)n1 Amb33433136 [0,2,0,0,0,0|2,0,0]=4 14717 B12R1.226 C[C@H](N)CCc1cccc(Cl)c1 Amb27788817 [0,2,0,0,0,0|1,0,0]=3 14718 B12R1.226 C[C@H](N)CCc1cccc(Cl)n1 Amb33222422 [0,2,0,0,0,0|2,0,0]=4 14719 B12R1.226 C[C@H](N)CCc1cccc(F)c1 Amb28429239 [0,2,0,0,0,0|1,0,0]=3 14720 B12R1.226 C[C@H](N)CCc1cccc(O)c1 Amb28282627 [0,2,0,0,0,0|1,0,0]=3 14721 B12R1.226 C[C@H](N)CCc1cncc(Br)c1 Amb33476981 [0,2,0,0,0,0|2,0,0]=4 14722 B12R1.226 C[C@H](N)CCc1cncc(F)c1 Amb33480720 [0,2,0,0,0,0|2,0,0]=4 14723 B12R1.226 C[C@H](N)COc1cccc(I)c1 Amb30012127 [0,2,0,0,0,0|2,0,0]=4 14724 B12R1.226 C[C@H](O)CCc1cc(F)ccn1 Amb33320293 [0,2,0,0,0,0|1,0,0]=3 14725 B12R1.226 C[C@H](O)CCc1cccc(Br)c1 Amb33451603 [0,2,0,0,0,0|0,0,0]=2 14726 B12R1.226 C[C@H](O)CCc1cccc(Br)n1 Amb33433163 [0,2,0,0,0,0|1,0,0]=3 14727 B12R1.226 C[C@H](O)CCc1cccc(Cl)c1 Amb33223330 [0,2,0,0,0,0|0,0,0]=2 14728 B12R1.226 C[C@H](O)CCc1cccc(Cl)n1 Amb33222412 [0,2,0,0,0,0|1,0,0]=3 14729 B12R1.226 C[C@H](O)CCc1cccc(F)c1 Amb33316035 [0,2,0,0,0,0|0,0,0]=2 14730 B12R1.226 C[C@H](O)CCc1cccc(O)c1 Amb33310962 [0,2,0,0,0,0|0,0,0]=2 14731 B12R1.226 C[C@H](O)CCc1cncc(Br)c1 Amb33478419 [0,2,0,0,0,0|1,0,0]=3 14732 B12R1.226 C[C@H](O)CCc1cncc(F)c1 Amb33196287 [0,2,0,0,0,0|1,0,0]=3 14733 B12R1.226 C[C@H](O)CNc1cccc(Cl)n1 Amb27260054 [0,2,0,0,0,0|2,0,0]=4 14734 B12R1.226 C[C@H](O)CNc1cncc(Br)c1 Amb26342037 [0,2,0,0,0,0|2,0,0]=4 14735 B12R1.226 C[C@H](O)CNc1cncc(Cl)c1 Amb35706925 [0,2,0,0,0,0|2,0,0]=4 14736 B12R1.226 C[C@H](O)COc1cccc(I)c1 Amb28066516 [0,2,0,0,0,0|1,0,0]=3 14737 B12R1.226 C[C@H](O)COc1cncc(Cl)c1 Amb27981234 [0,2,0,0,0,0|2,0,0]=4 14738 B12R1.226 C[C@H](O)COc1cncc(F)c1 Amb27863785 [0,2,0,0,0,0|2,0,0]=4 14739 B12R1.226 C[C@H](O)CSc1cccc(O)c1 Amb27832372 [0,2,0,0,0,0|1,0,0]=3 14740 B12R1.226 Cc1cc(CCC(=O)O)ccn1 Amb22886572 [0,2,0,0,0,0|1,0,1]=4 14741 B12R1.226 Cc1cc(CCC(C)N)ccn1 Amb33172397 [0,2,0,0,0,0|2,0,0]=4 14742 B12R1.226 Cc1cc(CCC(C)O)ccn1 Amb33474901 [0,2,0,0,0,0|1,0,0]=3 14743 B12R1.226 Cc1cc(CC[C@@H](C)N)ccn1 Amb32732945 [0,2,0,0,0,0|2,0,0]=4 14744 B12R1.226 Cc1cc(CC[C@@H](C)O)ccn1 Amb32732947 [0,2,0,0,0,0|1,0,0]=3 14745 B12R1.226 Cc1cc(CC[C@H](C)N)ccn1 Amb32732944 [0,2,0,0,0,0|2,0,0]=4 14746 B12R1.226 Cc1cc(CC[C@H](C)O)ccn1 Amb32732948 [0,2,0,0,0,0|1,0,0]=3 14747 B12R1.226 Cc1cc(NCC(C)O)ccn1 Amb28383551 [0,2,0,0,0,0|2,0,0]=4 14748 B12R1.226 Cc1ccc[n+](CCC(C)C)c1 Amb28369611 [0,2,0,0,0,0|2,0,0]=4 14749 B12R1.226 Cc1cccc(CCB(O)O)c1 Amb25790748 [0,2,0,0,0,0|1,0,0]=3 14750 B12R1.226 Cc1cccc(CCC(=N)N)c1 Amb18065465 [0,2,0,0,0,0|1,0,1]=4 14751 B12R1.226 Cc1cccc(CCC(=O)Cl)c1 Amb18325287 [0,2,0,0,0,0|0,0,2]=4 14752 B12R1.226 Cc1cccc(CCC(=O)O)c1 Amb1106242 [0,2,0,0,0,0|0,0,1]=3 14753 B12R1.226 Cc1cccc(CCC(=O)O)n1 Amb8009795 [0,2,0,0,0,0|1,0,1]=4 14754 B12R1.226 Cc1cccc(CCC(C)N)c1 Amb9031760 [0,2,0,0,0,0|1,0,0]=3 14755 B12R1.226 Cc1cccc(CCC(C)N)n1 Amb30029439 [0,2,0,0,0,0|2,0,0]=4 14756 B12R1.226 Cc1cccc(CCC(C)O)c1 Amb17507253 [0,2,0,0,0,0|0,0,0]=2 14757 B12R1.226 Cc1cccc(CCC(C)O)n1 Amb26048455 [0,2,0,0,0,0|1,0,0]=3 14758 B12R1.226 Cc1cccc(CCC(C)S)c1 Amb28141690 [0,2,0,0,0,0|0,1,0]=3 14759 B12R1.226 Cc1cccc(CCC(N)=O)c1 Amb17400135 [0,2,0,0,0,0|0,0,2]=4 14760 B12R1.226 Cc1cccc(CCN(C)N)c1 Amb18563652 [0,2,0,0,0,0|2,0,0]=4 14761 B12R1.226 Cc1cccc(CC[C@@H](C)N)c1 Amb33171984 [0,2,0,0,0,0|1,0,0]=3 14762 B12R1.226 Cc1cccc(CC[C@@H](C)N)n1 Amb33199934 [0,2,0,0,0,0|2,0,0]=4 14763 B12R1.226 Cc1cccc(CC[C@@H](C)O)c1 Amb33203919 [0,2,0,0,0,0|0,0,0]=2 14764 B12R1.226 Cc1cccc(CC[C@@H](C)O)n1 Amb33199935 [0,2,0,0,0,0|1,0,0]=3 14765 B12R1.226 Cc1cccc(CC[C@H](C)N)c1 Amb24682488 [0,2,0,0,0,0|1,0,0]=3 14766 B12R1.226 Cc1cccc(CC[C@H](C)N)n1 Amb33200213 [0,2,0,0,0,0|2,0,0]=4 14767 B12R1.226 Cc1cccc(CC[C@H](C)O)c1 Amb33203920 [0,2,0,0,0,0|0,0,0]=2 14768 B12R1.226 Cc1cccc(CC[C@H](C)O)n1 Amb33199936 [0,2,0,0,0,0|1,0,0]=3 14769 B12R1.226 Cc1cccc(CC[N+](=O)[O-])c1 Amb17400177 [0,2,0,0,0,0|1,0,1]=4 14770 B12R1.226 Cc1cccc(CNC(C)C)c1 Amb6252046 [0,2,0,0,0,0|2,0,0]=4 14771 B12R1.226 Cc1cccc(CNC(C)C)c1 Amb8503425 [0,2,0,0,0,0|2,0,0]=4 14772 B12R1.226 Cc1cccc(CSC(C)C)c1 Amb28454685 [0,2,0,0,0,0|2,0,0]=4 14773 B12R1.226 Cc1cccc(NCC(=O)O)c1 Amb840514 [0,2,0,0,0,0|1,0,1]=4 14774 B12R1.226 Cc1cccc(NCC(C)C)c1 Amb6684427 [0,2,0,0,0,0|2,0,0]=4 14775 B12R1.226 Cc1cccc(NCC(C)N)c1 Amb27828202 [0,2,0,0,0,0|2,0,0]=4 14776 B12R1.226 Cc1cccc(NCC(C)O)c1 Amb17138593 [0,2,0,0,0,0|1,0,0]=3 14777 B12R1.226 Cc1cccc(OCC(=O)O)c1 Amb6336446 [0,2,0,0,0,0|1,0,1]=4 14778 B12R1.226 Cc1cccc(OCC(C)N)c1 Amb9756348 [0,2,0,0,0,0|2,0,0]=4 14779 B12R1.226 Cc1cccc(OCC(C)O)n1 Amb22900273 [0,2,0,0,0,0|2,0,0]=4 14780 B12R1.226 Cc1cccc(OC[C@@H](C)N)c1 Amb18538492 [0,2,0,0,0,0|2,0,0]=4 14781 B12R1.226 Cc1cccc(SCC(=O)O)c1 Amb5768509 [0,2,0,0,0,0|1,0,1]=4 14782 B12R1.226 Cc1cccc(SCC(C)C)c1 Amb27250481 [0,2,0,0,0,0|2,0,0]=4 14783 B12R1.226 Cc1cccc(SCC(C)N)c1 Amb18564187 [0,2,0,0,0,0|2,0,0]=4 14784 B12R1.226 Cc1cccc(SC[C@H](C)O)c1 Amb27837370 [0,2,0,0,0,0|1,0,0]=3 14785 B12R1.226 Cc1cccc(\C=C\C(C)O)c1 Amb25683937 [0,2,0,0,0,0|0,0,2]=4 14786 B12R1.226 Cc1ccnc(CCC(=O)O)c1 Amb18828439 [0,2,0,0,0,0|1,0,1]=4 14787 B12R1.226 Cc1ccnc(CCC(C)N)c1 Amb33318112 [0,2,0,0,0,0|2,0,0]=4 14788 B12R1.226 Cc1ccnc(CCC(C)O)c1 Amb27664039 [0,2,0,0,0,0|1,0,0]=3 14789 B12R1.226 Cc1ccnc(CC[C@@H](C)N)c1 Amb33318111 [0,2,0,0,0,0|2,0,0]=4 14790 B12R1.226 Cc1ccnc(CC[C@@H](C)O)c1 Amb33374489 [0,2,0,0,0,0|1,0,0]=3 14791 B12R1.226 Cc1ccnc(CC[C@H](C)N)c1 Amb33318110 [0,2,0,0,0,0|2,0,0]=4 14792 B12R1.226 Cc1ccnc(CC[C@H](C)O)c1 Amb33374500 [0,2,0,0,0,0|1,0,0]=3 14793 B12R1.226 Cc1ccnc(NC[C@H](C)O)c1 Amb28316261 [0,2,0,0,0,0|2,0,0]=4 14794 B12R1.226 Cc1cncc(CCC(=O)O)c1 Amb22886573 [0,2,0,0,0,0|1,0,1]=4 14795 B12R1.226 Cc1cncc(CCC(C)Br)c1 Amb27754464 [0,2,0,0,0,0|2,0,0]=4 14796 B12R1.226 Cc1cncc(CCC(C)N)c1 Amb26373761 [0,2,0,0,0,0|2,0,0]=4 14797 B12R1.226 Cc1cncc(CCC(C)O)c1 Amb26373762 [0,2,0,0,0,0|1,0,0]=3 14798 B12R1.226 Cc1cncc(CC[C@@H](C)N)c1 Amb33318007 [0,2,0,0,0,0|2,0,0]=4 14799 B12R1.226 Cc1cncc(CC[C@@H](C)O)c1 Amb33318008 [0,2,0,0,0,0|1,0,0]=3 14800 B12R1.226 Cc1cncc(CC[C@H](C)N)c1 Amb33374470 [0,2,0,0,0,0|2,0,0]=4 14801 B12R1.226 Cc1cncc(CC[C@H](C)O)c1 Amb33374472 [0,2,0,0,0,0|1,0,0]=3 14802 B12R1.226 FC(F)CNc1cccc(Cl)c1 Amb18320416 [0,2,0,0,0,0|2,0,0]=4 14803 B12R1.226 FC(F)COc1cccc(Br)c1 Amb19148821 [0,2,0,0,0,0|2,0,0]=4 14804 B12R1.226 FC(F)COc1cccc(Cl)c1 Amb28073836 [0,2,0,0,0,0|2,0,0]=4 14805 B12R1.226 FC(F)COc1cccc(I)c1 Amb24056922 [0,2,0,0,0,0|2,0,0]=4 14806 B12R1.226 FC(F)CSc1cccc(Br)c1 Amb22227888 [0,2,0,0,0,0|2,0,0]=4 14807 B12R1.226 Fc1cccc(NCC(F)F)c1 Amb18795534 [0,2,0,0,0,0|2,0,0]=4 14808 B12R1.226 Fc1cccc(OCC(F)F)c1 Amb27247839 [0,2,0,0,0,0|2,0,0]=4 14809 B12R1.226 Fc1cccc(SCC(F)F)c1 Amb27187781 [0,2,0,0,0,0|2,0,0]=4 14810 B12R1.226 N=C(N)CCc1cccc(Br)c1 Amb18571443 [0,2,0,0,0,0|1,0,1]=4 14811 B12R1.226 N=C(N)CCc1cccc(Cl)c1 Amb18564230 [0,2,0,0,0,0|1,0,1]=4 14812 B12R1.226 N=C(N)CCc1cccc(F)c1 Amb18563720 [0,2,0,0,0,0|1,0,1]=4 14813 B12R1.226 NC(=O)CCc1cccc(Br)c1 Amb8997695 [0,2,0,0,0,0|0,0,2]=4 14814 B12R1.226 NC(=O)CCc1cccc(Cl)c1 Amb17400995 [0,2,0,0,0,0|0,0,2]=4 14815 B12R1.226 NC(=S)CCc1cccc(Br)c1 Amb17256979 [0,2,0,0,0,0|0,1,1]=4 14816 B12R1.226 Nc1cc(CCC(=O)O)ccn1 Amb24105413 [0,2,0,0,0,0|1,0,1]=4 14817 B12R1.226 Nc1cccc(CCC(=O)Cl)c1 Amb27453550 [0,2,0,0,0,0|0,0,2]=4 14818 B12R1.226 Nc1cccc(CCC(=O)O)c1 Amb2684507 [0,2,0,0,0,0|0,0,1]=3 14819 B12R1.226 Nc1cccc(CCC(=O)O)c1 Amb2692058 [0,2,0,0,0,0|0,0,1]=3 14820 B12R1.226 Nc1cccc(CCC(=O)[O-])c1 Amb22408735 [0,2,0,0,0,0|0,0,2]=4 14821 B12R1.226 Nc1cccc(CCC(=O)[O-])c1 Amb22757721 [0,2,0,0,0,0|0,0,2]=4 14822 B12R1.226 Nc1cccc(OCC(=O)O)c1 Amb839769 [0,2,0,0,0,0|1,0,1]=4 14823 B12R1.226 Nc1cccc(OCC(F)F)c1 Amb9769461 [0,2,0,0,0,0|2,0,0]=4 14824 B12R1.226 O=C(Cl)CCc1cccc(F)c1 Amb25129437 [0,2,0,0,0,0|0,0,2]=4 14825 B12R1.226 O=C(O)CCC1=CC=CC(=O)N1 Amb26373711 [0,2,0,0,0,0|1,0,1]=4 14826 B12R1.226 O=C(O)CCC1=CC=CC(=O)N1 Amb33620710 [0,2,0,0,0,0|1,0,1]=4 14827 B12R1.226 O=C(O)CCC1=CC=CC(=O)O1 Amb27865517 [0,2,0,0,0,0|1,0,1]=4 14828 B12R1.226 O=C(O)CCc1cc(Br)ccn1 Amb27780846 [0,2,0,0,0,0|1,0,1]=4 14829 B12R1.226 O=C(O)CCc1cc(F)ccn1 Amb22886576 [0,2,0,0,0,0|1,0,1]=4 14830 B12R1.226 O=C(O)CCc1cccc(Br)c1 Amb1209216 [0,2,0,0,0,0|0,0,1]=3 14831 B12R1.226 O=C(O)CCc1cccc(Br)n1 Amb26023781 [0,2,0,0,0,0|1,0,1]=4 14832 B12R1.226 O=C(O)CCc1cccc(Cl)c1 Amb1672952 [0,2,0,0,0,0|0,0,1]=3 14833 B12R1.226 O=C(O)CCc1cccc(Cl)n1 Amb27774864 [0,2,0,0,0,0|1,0,1]=4 14834 B12R1.226 O=C(O)CCc1cccc(F)c1 Amb1091868 [0,2,0,0,0,0|0,0,1]=3 14835 B12R1.226 O=C(O)CCc1cccc(F)n1 Amb27395763 [0,2,0,0,0,0|1,0,1]=4 14836 B12R1.226 O=C(O)CCc1cccc(I)c1 Amb16232982 [0,2,0,0,0,0|0,0,1]=3 14837 B12R1.226 O=C(O)CCc1cccc(O)c1 Amb2688781 [0,2,0,0,0,0|0,0,1]=3 14838 B12R1.226 O=C(O)CCc1ccnc(Cl)c1 Amb27458246 [0,2,0,0,0,0|1,0,1]=4 14839 B12R1.226 O=C(O)CCc1ccnc(O)c1 Amb26859372 [0,2,0,0,0,0|1,0,1]=4 14840 B12R1.226 O=C(O)CCc1cncc(Br)c1 Amb27197768 [0,2,0,0,0,0|1,0,1]=4 14841 B12R1.226 O=C(O)CCc1cncc(Br)c1 Amb28600243 [0,2,0,0,0,0|1,0,1]=4 14842 B12R1.226 O=C(O)CCc1cncc(F)c1 Amb23450303 [0,2,0,0,0,0|1,0,1]=4 14843 B12R1.226 O=C(O)CCc1cncc(O)c1 Amb24435210 [0,2,0,0,0,0|1,0,1]=4 14844 B12R1.226 O=C(O)CNc1cccc(Br)c1 Amb840527 [0,2,0,0,0,0|1,0,1]=4 14845 B12R1.226 O=C(O)CNc1cccc(Cl)c1 Amb10609174 [0,2,0,0,0,0|1,0,1]=4 14846 B12R1.226 O=C(O)CNc1cccc(Cl)c1 Amb840525 [0,2,0,0,0,0|1,0,1]=4 14847 B12R1.226 O=C(O)CNc1cccc(F)c1 Amb19341704 [0,2,0,0,0,0|1,0,1]=4 14848 B12R1.226 O=C(O)CNc1cccc(F)c1 Amb840522 [0,2,0,0,0,0|1,0,1]=4 14849 B12R1.226 O=C(O)COc1cccc(Br)c1 Amb6336684 [0,2,0,0,0,0|1,0,1]=4 14850 B12R1.226 O=C(O)COc1cccc(Cl)c1 Amb1211231 [0,2,0,0,0,0|1,0,1]=4 14851 B12R1.226 O=C(O)COc1cccc(F)c1 Amb1102803 [0,2,0,0,0,0|1,0,1]=4 14852 B12R1.226 O=C(O)COc1cccc(I)c1 Amb4574102 [0,2,0,0,0,0|1,0,1]=4 14853 B12R1.226 O=C(O)COc1cccc(O)c1 Amb6360813 [0,2,0,0,0,0|1,0,1]=4 14854 B12R1.226 O=C(O)CSc1cccc(Br)c1 Amb2372547 [0,2,0,0,0,0|1,0,1]=4 14855 B12R1.226 O=C(O)CSc1cccc(Cl)c1 Amb2794096 [0,2,0,0,0,0|1,0,1]=4 14856 B12R1.226 O=C(O)CSc1cccc(F)c1 Amb19887452 [0,2,0,0,0,0|1,0,1]=4 14857 B12R1.226 O=C(O)CSc1cccc(O)c1 Amb28385688 [0,2,0,0,0,0|1,0,1]=4 14858 B12R1.226 O=S([O-])CCc1cccc(Cl)c1 Amb26056860 [0,2,0,0,0,0|1,0,1]=4 14859 B12R1.226 O=S([O-])CCc1cccc(F)c1 Amb32755838 [0,2,0,0,0,0|1,0,1]=4 14860 B12R1.226 O=[N+]([O-])CCc1cccc(Br)c1 Amb6298655 [0,2,0,0,0,0|1,0,1]=4 14861 B12R1.226 O=[N+]([O-])CCc1cccc(Cl)c1 Amb17401073 [0,2,0,0,0,0|1,0,1]=4 14862 B12R1.226 O=[N+]([O-])CCc1cccc(F)c1 Amb6296470 [0,2,0,0,0,0|1,0,1]=4 14863 B12R1.226 O=[N+]([O-])CCc1cccc(O)c1 Amb25141958 [0,2,0,0,0,0|1,0,1]=4 14864 B12R1.226 OB(O)CCc1cccc(F)c1 Amb24392487 [0,2,0,0,0,0|1,0,0]=3 14865 B12R1.226 OB(O)CCc1cccc(O)c1 Amb27215942 [0,2,0,0,0,0|1,0,0]=3 14866 B12R1.226 Oc1cccc(OCC(F)F)c1 Amb18795192 [0,2,0,0,0,0|2,0,0]=4 14867 B12R1.382 C#CCCc1cccc(C#C)c1 Amb33225481 [0,2,0,0,0,0|1,0,1]=4 14868 B12R1.382 C#CCCc1cccc(C#N)c1 Amb18116227 [0,2,0,0,0,0|1,0,1]=4 14869 B12R1.382 C#CCCc1cccc(CC)c1 Amb32874594 [0,2,0,0,0,0|1,0,1]=4 14870 B12R1.382 C#CCCc1cccc(OC)c1 Amb18117994 [0,2,0,0,0,0|1,0,1]=4 14871 B12R1.382 C#CCCc1cccc(SC)c1 Amb33148218 [0,2,0,0,0,0|1,0,1]=4 14872 B12R1.382 C#Cc1cccc(CCC#N)c1 Amb33267479 [0,2,0,0,0,0|1,0,1]=4 14873 B12R1.382 C#Cc1cccc(CCC=O)c1 Amb33272129 [0,2,0,0,0,0|0,0,2]=4 14874 B12R1.382 C#Cc1cccc(CCCBr)c1 Amb33007106 [0,2,0,0,0,0|1,0,0]=3 14875 B12R1.382 C#Cc1cccc(CCCN)c1 Amb33267712 [0,2,0,0,0,0|1,0,0]=3 14876 B12R1.382 C#Cc1cccc(CCCO)c1 Amb24388502 [0,2,0,0,0,0|0,0,0]=2 14877 B12R1.382 C#Cc1cccc(CCCS)c1 Amb32875592 [0,2,0,0,0,0|0,1,0]=3 14878 B12R1.382 C#Cc1cccc(CCNC)c1 Amb33267707 [0,2,0,0,0,0|2,0,0]=4 14879 B12R1.382 C#Cc1cccc(CCON)c1 Amb33272824 [0,2,0,0,0,0|2,0,0]=4 14880 B12R1.382 C#Cc1cccc(CNCC)c1 Amb27663003 [0,2,0,0,0,0|2,0,0]=4 14881 B12R1.382 C#Cc1cccc(NCCF)c1 Amb27171747 [0,2,0,0,0,0|2,0,0]=4 14882 B12R1.382 C#Cc1cccc(OCCC)c1 Amb25997337 [0,2,0,0,0,0|2,0,0]=4 14883 B12R1.382 C#Cc1cccc(OCCN)c1 Amb32875602 [0,2,0,0,0,0|2,0,0]=4 14884 B12R1.382 C#Cc1cccc(\C=C\CO)c1 Amb33272787 [0,2,0,0,0,0|0,0,2]=4 14885 B12R1.382 C=CCCc1cccc(C=O)c1 Amb24085224 [0,2,0,0,0,0|1,0,1]=4 14886 B12R1.382 C=CCCc1cccc(OC)c1 Amb6299119 [0,2,0,0,0,0|1,0,1]=4 14887 B12R1.382 C=Cc1cccc(NCCO)n1 Amb26347911 [0,2,0,0,0,0|2,0,0]=4 14888 B12R1.382 CCCCc1cc(C#N)ccn1 Amb18645406 [0,2,0,0,0,0|2,0,0]=4 14889 B12R1.382 CCCCc1cc(C=O)ccn1 Amb33068351 [0,2,0,0,0,0|2,0,0]=4 14890 B12R1.382 CCCCc1cncc(C=O)c1 Amb32751640 [0,2,0,0,0,0|2,0,0]=4 14891 B12R1.382 CCCNc1cccc(CN)c1 Amb27241497 [0,2,0,0,0,0|2,0,0]=4 14892 B12R1.382 CCCNc1cccc(NN)c1 Amb27645860 [0,2,0,0,0,0|2,0,0]=4 14893 B12R1.382 CCCNc1cccc(OC)c1 Amb4313520 [0,2,0,0,0,0|2,0,0]=4 14894 B12R1.382 CCCNc1cccc(SC)c1 Amb6687792 [0,2,0,0,0,0|2,0,0]=4 14895 B12R1.382 CCCOc1cccc(C#N)c1 Amb5761029 [0,2,0,0,0,0|2,0,0]=4 14896 B12R1.382 CCCOc1cccc(C=O)c1 Amb2589523 [0,2,0,0,0,0|2,0,0]=4 14897 B12R1.382 CCCOc1cccc(CBr)c1 Amb33528737 [0,2,0,0,0,0|2,0,0]=4 14898 B12R1.382 CCCOc1cccc(CN)c1 Amb10201546 [0,2,0,0,0,0|2,0,0]=4 14899 B12R1.382 CCCOc1cccc(CN)c1 Amb1135599 [0,2,0,0,0,0|2,0,0]=4 14900 B12R1.382 CCCOc1cccc(CO)c1 Amb3548881 [0,2,0,0,0,0|2,0,0]=4 14901 B12R1.382 CCCOc1cccc(CS)c1 Amb32788744 [0,2,0,0,0,0|2,0,0]=4 14902 B12R1.382 CCCOc1cccc(NN)c1 Amb17232618 [0,2,0,0,0,0|2,0,0]=4 14903 B12R1.382 CCCSc1cccc(C#N)c1 Amb27970322 [0,2,0,0,0,0|2,0,0]=4 14904 B12R1.382 CCCSc1cccc(CCl)c1 Amb33734281 [0,2,0,0,0,0|2,0,0]=4 14905 B12R1.382 CCCSc1cccc(CO)c1 Amb30589050 [0,2,0,0,0,0|2,0,0]=4 14906 B12R1.382 CCNCc1cccc(CN)c1 Amb19649768 [0,2,0,0,0,0|2,0,0]=4 14907 B12R1.382 CCNCc1cccc(CO)c1 Amb19649765 [0,2,0,0,0,0|2,0,0]=4 14908 B12R1.382 CCNCc1cccc(OC)c1 Amb6248123 [0,2,0,0,0,0|2,0,0]=4 14909 B12R1.382 CCNCc1cccc(OC)c1 Amb6864929 [0,2,0,0,0,0|2,0,0]=4 14910 B12R1.382 CCOCc1cccc(CN)c1 Amb10609741 [0,2,0,0,0,0|2,0,0]=4 14911 B12R1.382 CCOCc1cccc(CN)c1 Amb1138303 [0,2,0,0,0,0|2,0,0]=4 14912 B12R1.382 CCc1cc(NCCO)ccn1 Amb28396715 [0,2,0,0,0,0|2,0,0]=4 14913 B12R1.382 CCc1cccc(CCC#N)c1 Amb24537117 [0,2,0,0,0,0|1,0,1]=4 14914 B12R1.382 CCc1cccc(CCC=O)c1 Amb33474379 [0,2,0,0,0,0|0,0,2]=4 14915 B12R1.382 CCc1cccc(CCCBr)c1 Amb33451072 [0,2,0,0,0,0|1,0,0]=3 14916 B12R1.382 CCc1cccc(CCCN)c1 Amb33474982 [0,2,0,0,0,0|1,0,0]=3 14917 B12R1.382 CCc1cccc(CCCN)n1 Amb18828661 [0,2,0,0,0,0|2,0,0]=4 14918 B12R1.382 CCc1cccc(CCCO)c1 Amb33171465 [0,2,0,0,0,0|0,0,0]=2 14919 B12R1.382 CCc1cccc(CCCS)c1 Amb32874570 [0,2,0,0,0,0|0,1,0]=3 14920 B12R1.382 CCc1cccc(CCNC)c1 Amb32953239 [0,2,0,0,0,0|2,0,0]=4 14921 B12R1.382 CCc1cccc(CCON)c1 Amb32875789 [0,2,0,0,0,0|2,0,0]=4 14922 B12R1.382 CCc1cccc(NCCF)c1 Amb27389206 [0,2,0,0,0,0|2,0,0]=4 14923 B12R1.382 CCc1cccc(OCCBr)c1 Amb1657338 [0,2,0,0,0,0|2,0,0]=4 14924 B12R1.382 CCc1cccc(OCCCl)c1 Amb8828481 [0,2,0,0,0,0|2,0,0]=4 14925 B12R1.382 CCc1cccc(OCCN)c1 Amb5358358 [0,2,0,0,0,0|2,0,0]=4 14926 B12R1.382 CCc1cccc(OCCO)c1 Amb9370543 [0,2,0,0,0,0|1,0,0]=3 14927 B12R1.382 CCc1cccc(OCCS)c1 Amb17233942 [0,2,0,0,0,0|1,1,0]=4 14928 B12R1.382 CCc1cccc(\C=C\CO)c1 Amb32875439 [0,2,0,0,0,0|0,0,2]=4 14929 B12R1.382 CCc1ccnc(CCCN)c1 Amb18828703 [0,2,0,0,0,0|2,0,0]=4 14930 B12R1.382 CNCCc1cccc(C#N)c1 Amb25214234 [0,2,0,0,0,0|2,0,0]=4 14931 B12R1.382 CNCCc1cccc(C#N)c1 Amb30584940 [0,2,0,0,0,0|2,0,0]=4 14932 B12R1.382 CNCCc1cccc(OC)c1 Amb4452933 [0,2,0,0,0,0|2,0,0]=4 14933 B12R1.382 CNCCc1cccc(OC)c1 Amb8853670 [0,2,0,0,0,0|2,0,0]=4 14934 B12R1.382 CNCCc1cccc(SC)c1 Amb33144874 [0,2,0,0,0,0|2,0,0]=4 14935 B12R1.382 CNc1cc(OCCO)ccn1 Amb27203834 [0,2,0,0,0,0|2,0,0]=4 14936 B12R1.382 CNc1cccc(CCCO)c1 Amb8629050 [0,2,0,0,0,0|0,0,0]=2 14937 B12R1.382 CNc1cccc(NCCO)n1 Amb28288283 [0,2,0,0,0,0|2,0,0]=4 14938 B12R1.382 CNc1cccc(OCCO)n1 Amb27866934 [0,2,0,0,0,0|2,0,0]=4 14939 B12R1.382 COCCc1cccc(CN)c1 Amb30588557 [0,2,0,0,0,0|2,0,0]=4 14940 B12R1.382 COc1cc(CCCBr)ccn1 Amb33435835 [0,2,0,0,0,0|2,0,0]=4 14941 B12R1.382 COc1cc(CCCN)ccn1 Amb33473974 [0,2,0,0,0,0|2,0,0]=4 14942 B12R1.382 COc1cc(CCCO)ccn1 Amb32730195 [0,2,0,0,0,0|1,0,0]=3 14943 B12R1.382 COc1cc(CCCS)ccn1 Amb32730161 [0,2,0,0,0,0|1,1,0]=4 14944 B12R1.382 COc1cccc(C#CCO)c1 Amb18180049 [0,2,0,0,0,0|0,0,2]=4 14945 B12R1.382 COc1cccc(CCC#N)c1 Amb17204306 [0,2,0,0,0,0|1,0,1]=4 14946 B12R1.382 COc1cccc(CCC=O)c1 Amb6306214 [0,2,0,0,0,0|0,0,2]=4 14947 B12R1.382 COc1cccc(CCCBr)c1 Amb33531075 [0,2,0,0,0,0|1,0,0]=3 14948 B12R1.382 COc1cccc(CCCBr)n1 Amb33335940 [0,2,0,0,0,0|2,0,0]=4 14949 B12R1.382 COc1cccc(CCCCl)c1 Amb17104532 [0,2,0,0,0,0|1,0,0]=3 14950 B12R1.382 COc1cccc(CCCN)c1 Amb1092531 [0,2,0,0,0,0|1,0,0]=3 14951 B12R1.382 COc1cccc(CCCN)c1 Amb19429208 [0,2,0,0,0,0|1,0,0]=3 14952 B12R1.382 COc1cccc(CCCN)n1 Amb33448533 [0,2,0,0,0,0|2,0,0]=4 14953 B12R1.382 COc1cccc(CCCO)c1 Amb13883640 [0,2,0,0,0,0|0,0,0]=2 14954 B12R1.382 COc1cccc(CCCO)n1 Amb33429910 [0,2,0,0,0,0|1,0,0]=3 14955 B12R1.382 COc1cccc(CCCS)c1 Amb17400950 [0,2,0,0,0,0|0,1,0]=3 14956 B12R1.382 COc1cccc(CCCS)n1 Amb33201528 [0,2,0,0,0,0|1,1,0]=4 14957 B12R1.382 COc1cccc(CCNN)c1 Amb6243291 [0,2,0,0,0,0|2,0,0]=4 14958 B12R1.382 COc1cccc(CCON)c1 Amb22896637 [0,2,0,0,0,0|2,0,0]=4 14959 B12R1.382 COc1cccc(CC[Zn]Br)c1 Amb6300303 [0,2,0,0,0,0|2,0,0]=4 14960 B12R1.382 COc1cccc(NCCCl)c1 Amb17335807 [0,2,0,0,0,0|2,0,0]=4 14961 B12R1.382 COc1cccc(NCCN)c1 Amb17057754 [0,2,0,0,0,0|2,0,0]=4 14962 B12R1.382 COc1cccc(NCCO)c1 Amb6713990 [0,2,0,0,0,0|1,0,0]=3 14963 B12R1.382 COc1cccc(NCCO)n1 Amb27588479 [0,2,0,0,0,0|2,0,0]=4 14964 B12R1.382 COc1cccc(OCCBr)c1 Amb836270 [0,2,0,0,0,0|2,0,0]=4 14965 B12R1.382 COc1cccc(OCCCl)c1 Amb8828422 [0,2,0,0,0,0|2,0,0]=4 14966 B12R1.382 COc1cccc(OCCN)c1 Amb1135524 [0,2,0,0,0,0|2,0,0]=4 14967 B12R1.382 COc1cccc(OCCN)c1 Amb4021768 [0,2,0,0,0,0|2,0,0]=4 14968 B12R1.382 COc1cccc(OCCO)c1 Amb2209352 [0,2,0,0,0,0|1,0,0]=3 14969 B12R1.382 COc1cccc(OCCS)c1 Amb2794984 [0,2,0,0,0,0|1,1,0]=4 14970 B12R1.382 COc1cccc(SCCBr)c1 Amb6255470 [0,2,0,0,0,0|2,0,0]=4 14971 B12R1.382 COc1cccc(SCCN)c1 Amb6265863 [0,2,0,0,0,0|2,0,0]=4 14972 B12R1.382 COc1cccc(SCCO)c1 Amb2689269 [0,2,0,0,0,0|1,0,0]=3 14973 B12R1.382 COc1cccc(\C=C\CO)c1 Amb23442965 [0,2,0,0,0,0|0,0,2]=4 14974 B12R1.382 COc1ccnc(CCCBr)c1 Amb33431193 [0,2,0,0,0,0|2,0,0]=4 14975 B12R1.382 COc1ccnc(CCCN)c1 Amb32954358 [0,2,0,0,0,0|2,0,0]=4 14976 B12R1.382 COc1ccnc(CCCO)c1 Amb33424530 [0,2,0,0,0,0|1,0,0]=3 14977 B12R1.382 COc1ccnc(CCCS)c1 Amb33319809 [0,2,0,0,0,0|1,1,0]=4 14978 B12R1.382 COc1cncc(CCCBr)c1 Amb33451934 [0,2,0,0,0,0|2,0,0]=4 14979 B12R1.382 COc1cncc(CCCN)c1 Amb33450005 [0,2,0,0,0,0|2,0,0]=4 14980 B12R1.382 COc1cncc(CCCO)c1 Amb33276238 [0,2,0,0,0,0|1,0,0]=3 14981 B12R1.382 COc1cncc(CCCS)c1 Amb32874245 [0,2,0,0,0,0|1,1,0]=4 14982 B12R1.382 CSc1cccc(CCC#N)c1 Amb26442558 [0,2,0,0,0,0|1,0,1]=4 14983 B12R1.382 CSc1cccc(CCC=O)c1 Amb33079612 [0,2,0,0,0,0|0,0,2]=4 14984 B12R1.382 CSc1cccc(CCCBr)c1 Amb33451796 [0,2,0,0,0,0|1,0,0]=3 14985 B12R1.382 CSc1cccc(CCCN)c1 Amb33144879 [0,2,0,0,0,0|1,0,0]=3 14986 B12R1.382 CSc1cccc(CCCO)c1 Amb33149372 [0,2,0,0,0,0|0,0,0]=2 14987 B12R1.382 CSc1cccc(CCCS)c1 Amb33148184 [0,2,0,0,0,0|0,1,0]=3 14988 B12R1.382 CSc1cccc(CCON)c1 Amb33143113 [0,2,0,0,0,0|2,0,0]=4 14989 B12R1.382 CSc1cccc(NCCF)c1 Amb27241786 [0,2,0,0,0,0|2,0,0]=4 14990 B12R1.382 CSc1cccc(OCCN)c1 Amb33148192 [0,2,0,0,0,0|2,0,0]=4 14991 B12R1.382 CSc1cccc(\C=C\CO)c1 Amb33149408 [0,2,0,0,0,0|0,0,2]=4 14992 B12R1.382 FCCOc1cccc(CBr)c1 Amb23580156 [0,2,0,0,0,0|2,0,0]=4 14993 B12R1.382 FCCOc1cccc(CCl)c1 Amb31207831 [0,2,0,0,0,0|2,0,0]=4 14994 B12R1.382 N#CCCc1cccc(C#N)c1 Amb28368529 [0,2,0,0,0,0|1,0,1]=4 14995 B12R1.382 N#CCCc1cccc(CCl)c1 Amb27877104 [0,2,0,0,0,0|1,0,1]=4 14996 B12R1.382 N#Cc1cc(OCCO)ccn1 Amb18788264 [0,2,0,0,0,0|2,0,0]=4 14997 B12R1.382 N#Cc1cccc(C#CCO)c1 Amb836764 [0,2,0,0,0,0|0,0,2]=4 14998 B12R1.382 N#Cc1cccc(CCC=O)c1 Amb18645176 [0,2,0,0,0,0|0,0,2]=4 14999 B12R1.382 N#Cc1cccc(CCCBr)c1 Amb25675608 [0,2,0,0,0,0|1,0,0]=3 15000 B12R1.382 N#Cc1cccc(CCCN)c1 Amb25217817 [0,2,0,0,0,0|1,0,0]=3 15001 B12R1.382 N#Cc1cccc(CCCN)n1 Amb27607164 [0,2,0,0,0,0|2,0,0]=4 15002 B12R1.382 N#Cc1cccc(CCCO)c1 Amb17605790 [0,2,0,0,0,0|0,0,0]=2 15003 B12R1.382 N#Cc1cccc(CCCO)n1 Amb27270937 [0,2,0,0,0,0|1,0,0]=3 15004 B12R1.382 N#Cc1cccc(CCCS)c1 Amb33424357 [0,2,0,0,0,0|0,1,0]=3 15005 B12R1.382 N#Cc1cccc(CCON)c1 Amb33424607 [0,2,0,0,0,0|2,0,0]=4 15006 B12R1.382 N#Cc1cccc(C\C=C\O)c1 Amb27636684 [0,2,0,0,0,0|0,0,2]=4 15007 B12R1.382 N#Cc1cccc(NCCCl)c1 Amb17335461 [0,2,0,0,0,0|2,0,0]=4 15008 B12R1.382 N#Cc1cccc(NCCO)c1 Amb6712113 [0,2,0,0,0,0|1,0,0]=3 15009 B12R1.382 N#Cc1cccc(NCCO)n1 Amb27813030 [0,2,0,0,0,0|2,0,0]=4 15010 B12R1.382 N#Cc1cccc(OCCBr)c1 Amb6254993 [0,2,0,0,0,0|2,0,0]=4 15011 B12R1.382 N#Cc1cccc(OCCN)c1 Amb17562051 [0,2,0,0,0,0|2,0,0]=4 15012 B12R1.382 N#Cc1cccc(OCCO)c1 Amb6280681 [0,2,0,0,0,0|1,0,0]=3 15013 B12R1.382 N#Cc1cccc(OCCS)c1 Amb27652646 [0,2,0,0,0,0|1,1,0]=4 15014 B12R1.382 N#Cc1cccc(SCCF)c1 Amb28400326 [0,2,0,0,0,0|2,0,0]=4 15015 B12R1.382 N#Cc1cccc(SCCO)n1 Amb28249365 [0,2,0,0,0,0|2,0,0]=4 15016 B12R1.382 N#Cc1cccc(\C=C\CO)c1 Amb18645175 [0,2,0,0,0,0|0,0,2]=4 15017 B12R1.382 NCCOc1cccc(CO)c1 Amb18182646 [0,2,0,0,0,0|2,0,0]=4 15018 B12R1.382 NCc1cccc(NCCF)c1 Amb28208771 [0,2,0,0,0,0|2,0,0]=4 15019 B12R1.382 NCc1cccc(OCCF)c1 Amb23580157 [0,2,0,0,0,0|2,0,0]=4 15020 B12R1.382 NCc1ccnc(NCCO)c1 Amb19025121 [0,2,0,0,0,0|2,0,0]=4 15021 B12R1.382 NNc1cc(SCCO)ccn1 Amb28046619 [0,2,0,0,0,0|2,0,0]=4 15022 B12R1.382 O=Cc1cccc(C#CCO)c1 Amb836607 [0,2,0,0,0,0|0,0,2]=4 15023 B12R1.382 O=Cc1cccc(OCCBr)c1 Amb535884 [0,2,0,0,0,0|2,0,0]=4 15024 B12R1.382 O=Cc1cccc(OCCF)c1 Amb23579958 [0,2,0,0,0,0|2,0,0]=4 15025 B12R1.382 O=Cc1cccc(OCCO)c1 Amb857578 [0,2,0,0,0,0|1,0,0]=3 15026 B12R1.382 O=Cc1cccc(\C=C\CO)c1 Amb27980713 [0,2,0,0,0,0|0,0,2]=4 15027 B12R1.382 OCC#Cc1cccc(CO)c1 Amb18792414 [0,2,0,0,0,0|0,0,2]=4 15028 B12R1.382 OCCNc1cccc(CO)c1 Amb27178607 [0,2,0,0,0,0|1,0,0]=3 15029 B12R1.382 OCCOc1cccc(CO)c1 Amb6705986 [0,2,0,0,0,0|1,0,0]=3 15030 B12R1.382 OCc1cccc(OCCF)c1 Amb23580003 [0,2,0,0,0,0|2,0,0]=4 15031 B12R1.382 [C-]#[N+]CCc1cccc(C#C)c1 Amb33267430 [0,2,0,0,0,0|2,0,0]=4 15032 B12R1.382 [C-]#[N+]CCc1cccc(C#N)c1 Amb33424604 [0,2,0,0,0,0|2,0,0]=4 15033 B12R1.382 [C-]#[N+]CCc1cccc(CC)c1 Amb32875800 [0,2,0,0,0,0|2,0,0]=4 15034 B12R1.382 [C-]#[N+]CCc1cccc(OC)c1 Amb2689211 [0,2,0,0,0,0|2,0,0]=4 15035 B12R1.382 [C-]#[N+]CCc1cccc(SC)c1 Amb33142890 [0,2,0,0,0,0|2,0,0]=4 15036 B12R1.2277 CC1=CC(C)(CCCO)C=CC1 Amb27757390 [0,2,0,0,0,0|0,0,2]=4 15037 B12R1.8 BrCCCCCc1ccccc1 Amb2685449 [0,2,0,0,0,0|1,0,0]=3 15038 B12R1.8 BrCCCCOc1ccccc1 Amb2795770 [0,2,0,0,0,0|1,0,0]=3 15039 B12R1.8 BrCCCCSc1ccccc1 Amb8855496 [0,2,0,0,0,0|1,0,0]=3 15040 B12R1.8 BrCCCOCc1ccccc1 Amb2722973 [0,2,0,0,0,0|1,0,0]=3 15041 B12R1.8 BrCCCSCc1ccccc1 Amb9305027 [0,2,0,0,0,0|1,0,0]=3 15042 B12R1.8 BrCCC\C=C\c1ccccc1 Amb33081215 [0,2,0,0,0,0|1,0,0]=3 15043 B12R1.8 BrCCOCCc1ccccc1 Amb9208563 [0,2,0,0,0,0|1,0,0]=3 15044 B12R1.8 C#CCCC#Cc1ccccc1 Amb8389991 [0,2,0,0,0,0|1,0,1]=4 15045 B12R1.8 C#CCCCCc1ccccc1 Amb18116407 [0,2,0,0,0,0|1,0,0]=3 15046 B12R1.8 C#CCCCNc1ccccc1 Amb28186421 [0,2,0,0,0,0|1,0,0]=3 15047 B12R1.8 C#CCCCNc1ccccn1 Amb27485051 [0,2,0,0,0,0|2,0,0]=4 15048 B12R1.8 C#CCCCOc1ccccc1 Amb32955621 [0,2,0,0,0,0|1,0,0]=3 15049 B12R1.8 C#CCCNCc1ccccc1 Amb26644765 [0,2,0,0,0,0|1,0,0]=3 15050 B12R1.8 C#CCCOCc1ccccc1 Amb27668798 [0,2,0,0,0,0|1,0,0]=3 15051 B12R1.8 C#CCC\C=C\c1ccccc1 Amb33081070 [0,2,0,0,0,0|1,0,1]=4 15052 B12R1.8 C#CCNCCc1ccccc1 Amb5262796 [0,2,0,0,0,0|1,0,0]=3 15053 B12R1.8 C#CCNOCc1ccccc1 Amb25282219 [0,2,0,0,0,0|1,0,1]=4 15054 B12R1.8 C=CCCC#Cc1ccccc1 Amb29867189 [0,2,0,0,0,0|1,0,1]=4 15055 B12R1.8 C=CCCCCc1ccccc1 Amb19930233 [0,2,0,0,0,0|1,0,0]=3 15056 B12R1.8 C=CCCNCc1ccccc1 Amb6384625 [0,2,0,0,0,0|1,0,0]=3 15057 B12R1.8 C=CCCOCc1ccccc1 Amb26862285 [0,2,0,0,0,0|1,0,0]=3 15058 B12R1.8 C=CCNCCc1ccccc1 Amb2119614 [0,2,0,0,0,0|1,0,0]=3 15059 B12R1.8 C=CCNCCc1ccccc1 Amb6683808 [0,2,0,0,0,0|1,0,0]=3 15060 B12R1.8 C=CCNOCc1ccccc1 Amb27234127 [0,2,0,0,0,0|1,0,1]=4 15061 B12R1.8 C=CCONCc1ccccc1 Amb24725564 [0,2,0,0,0,0|1,0,1]=4 15062 B12R1.8 CC#CCCCc1ccccc1 Amb4035132 [0,2,0,0,0,0|1,0,0]=3 15063 B12R1.8 CC#CCCOc1ccccc1 Amb28319686 [0,2,0,0,0,0|1,0,1]=4 15064 B12R1.8 CC#CCNCc1ccccc1 Amb10233665 [0,2,0,0,0,0|1,0,1]=4 15065 B12R1.8 CC#CCNCc1ccccc1 Amb4084953 [0,2,0,0,0,0|1,0,1]=4 15066 B12R1.8 CCCCCCc1ccccc1 Amb6613187 [0,2,0,0,0,0|1,0,0]=3 15067 B12R1.8 CCCCCCc1ccccn1 Amb6357996 [0,2,0,0,0,0|2,0,0]=4 15068 B12R1.8 CCCCCCc1cccnc1 Amb10807465 [0,2,0,0,0,0|2,0,0]=4 15069 B12R1.8 CCCCCCc1ccncc1 Amb22235257 [0,2,0,0,0,0|2,0,0]=4 15070 B12R1.8 CCCCCOc1ccccc1 Amb1106330 [0,2,0,0,0,0|1,0,0]=3 15071 B12R1.8 CCCCCOc1ccccn1 Amb22546240 [0,2,0,0,0,0|2,0,0]=4 15072 B12R1.8 CCCCNCc1ccccc1 Amb2684625 [0,2,0,0,0,0|1,0,0]=3 15073 B12R1.8 CCCCNCc1ccccn1 Amb20673556 [0,2,0,0,0,0|2,0,0]=4 15074 B12R1.8 CCCCNCc1ccccn1 Amb2592505 [0,2,0,0,0,0|2,0,0]=4 15075 B12R1.8 CCCCNCc1ccccn1 Amb6865336 [0,2,0,0,0,0|2,0,0]=4 15076 B12R1.8 CCCCNCc1cccnc1 Amb20673559 [0,2,0,0,0,0|2,0,0]=4 15077 B12R1.8 CCCCNCc1cccnc1 Amb6690982 [0,2,0,0,0,0|2,0,0]=4 15078 B12R1.8 CCCCNCc1cccnc1 Amb6864497 [0,2,0,0,0,0|2,0,0]=4 15079 B12R1.8 CCCCNCc1ccncc1 Amb20673560 [0,2,0,0,0,0|2,0,0]=4 15080 B12R1.8 CCCCNCc1ccncc1 Amb6690985 [0,2,0,0,0,0|2,0,0]=4 15081 B12R1.8 CCCCNCc1ccncc1 Amb6864523 [0,2,0,0,0,0|2,0,0]=4 15082 B12R1.8 CCCCSSc1ccccn1 Amb24101204 [0,2,0,0,0,0|2,0,0]=4 15083 B12R1.8 CCCC\C=C/c1ccccc1 Amb22546625 [0,2,0,0,0,0|1,0,0]=3 15084 B12R1.8 CCCC\C=C\c1ccccn1 Amb19148732 [0,2,0,0,0,0|2,0,0]=4 15085 B12R1.8 CCCNCCc1ccccc1 Amb2119486 [0,2,0,0,0,0|1,0,0]=3 15086 B12R1.8 CCCNCCc1ccccc1 Amb4358610 [0,2,0,0,0,0|1,0,0]=3 15087 B12R1.8 CCCNCCc1ccccn1 Amb6357625 [0,2,0,0,0,0|2,0,0]=4 15088 B12R1.8 CCCNCCc1ccncc1 Amb2592521 [0,2,0,0,0,0|2,0,0]=4 15089 B12R1.8 CCCNOCc1ccccc1 Amb26553937 [0,2,0,0,0,0|1,0,0]=3 15090 B12R1.8 CCCOCCc1ccccn1 Amb2694532 [0,2,0,0,0,0|2,0,0]=4 15091 B12R1.8 CCC\C=C/Cc1ccccc1 Amb22546636 [0,2,0,0,0,0|1,0,0]=3 15092 B12R1.8 CCNCC#Cc1ccccc1 Amb18800149 [0,2,0,0,0,0|1,0,1]=4 15093 B12R1.8 CCNCCCc1ccccc1 Amb2094490 [0,2,0,0,0,0|1,0,0]=3 15094 B12R1.8 CCNCCCc1ccccc1 Amb6247947 [0,2,0,0,0,0|1,0,0]=3 15095 B12R1.8 CCNCCOc1ccccc1 Amb2099717 [0,2,0,0,0,0|1,0,0]=3 15096 B12R1.8 CCNCCOc1ccccc1 Amb6374462 [0,2,0,0,0,0|1,0,0]=3 15097 B12R1.8 CCNCCSc1ccccc1 Amb10608724 [0,2,0,0,0,0|1,0,0]=3 15098 B12R1.8 CCNCCSc1ccccn1 Amb19045126 [0,2,0,0,0,0|2,0,0]=4 15099 B12R1.8 CCNCCSc1ccccn1 Amb32662329 [0,2,0,0,0,0|2,0,0]=4 15100 B12R1.8 CCNC\C=C\c1ccccc1 Amb6864716 [0,2,0,0,0,0|1,0,1]=4 15101 B12R1.8 CCNC\C=C\c1ccccc1 Amb837817 [0,2,0,0,0,0|1,0,1]=4 15102 B12R1.8 CCOCOCc1ccccc1 Amb27830530 [0,2,0,0,0,0|1,0,0]=3 15103 B12R1.8 CCSCCNc1ccccc1 Amb17307513 [0,2,0,0,0,0|1,0,0]=3 15104 B12R1.8 CNCCCCc1ccccc1 Amb10068774 [0,2,0,0,0,0|1,0,0]=3 15105 B12R1.8 CNCCCCc1ccccc1 Amb8841760 [0,2,0,0,0,0|1,0,0]=3 15106 B12R1.8 CNCCCNc1ccccc1 Amb13951704 [0,2,0,0,0,0|1,0,0]=3 15107 B12R1.8 CNCCCOc1ccccc1 Amb30982582 [0,2,0,0,0,0|1,0,0]=3 15108 B12R1.8 CNCCCOc1ccccc1 Amb6893131 [0,2,0,0,0,0|1,0,0]=3 15109 B12R1.8 CNCCCSc1ccccc1 Amb10608730 [0,2,0,0,0,0|1,0,0]=3 15110 B12R1.8 CNCCCSc1ccccc1 Amb22588097 [0,2,0,0,0,0|1,0,0]=3 15111 B12R1.8 CNCCNCc1ccccc1 Amb9200691 [0,2,0,0,0,0|1,0,0]=3 15112 B12R1.8 CNCCNCc1ccccn1 Amb18798456 [0,2,0,0,0,0|2,0,0]=4 15113 B12R1.8 CNCCNCc1cccnc1 Amb18798457 [0,2,0,0,0,0|2,0,0]=4 15114 B12R1.8 CNCCNCc1ccncc1 Amb20414384 [0,2,0,0,0,0|2,0,0]=4 15115 B12R1.8 CNCCOCc1ccccc1 Amb20668782 [0,2,0,0,0,0|1,0,0]=3 15116 B12R1.8 CNCCOCc1ccccc1 Amb6374318 [0,2,0,0,0,0|1,0,0]=3 15117 B12R1.8 CNCCSCc1ccccc1 Amb18809641 [0,2,0,0,0,0|1,0,0]=3 15118 B12R1.8 CNCCSCc1ccccn1 Amb21984677 [0,2,0,0,0,0|2,0,0]=4 15119 B12R1.8 CNCCSCc1cccnc1 Amb21984678 [0,2,0,0,0,0|2,0,0]=4 15120 B12R1.8 CNCC\C=C\c1ccccc1 Amb32954379 [0,2,0,0,0,0|1,0,1]=4 15121 B12R1.8 COCCCNc1ccccc1 Amb17232551 [0,2,0,0,0,0|0,0,0]=2 15122 B12R1.8 COCCCNc1cncnc1 Amb18270117 [0,2,0,0,0,0|2,0,0]=4 15123 B12R1.8 COCCNCc1ccccc1 Amb33387674 [0,2,0,0,0,0|0,0,0]=2 15124 B12R1.8 COCCNCc1ccccc1 Amb6410960 [0,2,0,0,0,0|0,0,0]=2 15125 B12R1.8 COCCNCc1ccccn1 Amb1663439 [0,2,0,0,0,0|1,0,0]=3 15126 B12R1.8 COCCNCc1ccccn1 Amb17622505 [0,2,0,0,0,0|1,0,0]=3 15127 B12R1.8 COCCNCc1cccnc1 Amb2592096 [0,2,0,0,0,0|1,0,0]=3 15128 B12R1.8 COCCNCc1cccnc1 Amb6865386 [0,2,0,0,0,0|1,0,0]=3 15129 B12R1.8 COCCNCc1ccncc1 Amb2592093 [0,2,0,0,0,0|1,0,0]=3 15130 B12R1.8 COCCNCc1ccncc1 Amb6865384 [0,2,0,0,0,0|1,0,0]=3 15131 B12R1.8 COCCOCc1ccccc1 Amb27467682 [0,2,0,0,0,0|0,0,0]=2 15132 B12R1.8 CONCCCc1ccccc1 Amb32411014 [0,2,0,0,0,0|0,0,0]=2 15133 B12R1.8 CSCCCNc1cccnc1 Amb28555677 [0,2,0,0,0,0|1,1,0]=4 15134 B12R1.8 CSCCCNc1cccnc1 Amb6719789 [0,2,0,0,0,0|1,1,0]=4 15135 B12R1.8 C\C=C\CCNc1ccccc1 Amb28119164 [0,2,0,0,0,0|1,0,1]=4 15136 B12R1.8 ClCC#CCCc1ccccc1 Amb27758730 [0,2,0,0,0,0|1,0,0]=3 15137 B12R1.8 ClCC#CCSc1ccccc1 Amb27657584 [0,2,0,0,0,0|1,0,1]=4 15138 B12R1.8 ClCCCC#Cc1cccnc1 Amb27955896 [0,2,0,0,0,0|2,0,0]=4 15139 B12R1.8 ClCCCC#Cc1ccncc1 Amb27770836 [0,2,0,0,0,0|2,0,0]=4 15140 B12R1.8 ClCCCCCc1ccccc1 Amb10808064 [0,2,0,0,0,0|1,0,0]=3 15141 B12R1.8 ClCCCCOc1ccccc1 Amb3940274 [0,2,0,0,0,0|1,0,0]=3 15142 B12R1.8 ClCCCCSc1ccccc1 Amb18331364 [0,2,0,0,0,0|1,0,0]=3 15143 B12R1.8 ClCCCNCc1ccccc1 Amb10766327 [0,2,0,0,0,0|1,0,0]=3 15144 B12R1.8 ClCCCNCc1ccccc1 Amb27857637 [0,2,0,0,0,0|1,0,0]=3 15145 B12R1.8 ClCCCNCc1ccccn1 Amb20573480 [0,2,0,0,0,0|2,0,0]=4 15146 B12R1.8 ClCCCNCc1cccnc1 Amb20573314 [0,2,0,0,0,0|2,0,0]=4 15147 B12R1.8 ClCCCNCc1ccncc1 Amb20573340 [0,2,0,0,0,0|2,0,0]=4 15148 B12R1.8 ClCCCNCc1ccncc1 Amb20623668 [0,2,0,0,0,0|2,0,0]=4 15149 B12R1.8 ClCCCOCc1ccccc1 Amb6255314 [0,2,0,0,0,0|1,0,0]=3 15150 B12R1.8 ClCCN=C=Nc1ccccc1 Amb27454840 [0,2,0,0,0,0|1,0,1]=4 15151 B12R1.8 ClCCNOCc1ccccc1 Amb27659332 [0,2,0,0,0,0|1,0,0]=3 15152 B12R1.8 ClCOCOCc1ccccc1 Amb27444693 [0,2,0,0,0,0|1,0,0]=3 15153 B12R1.8 ClC\C=C\CNc1ccccc1 Amb27806651 [0,2,0,0,0,0|1,0,1]=4 15154 B12R1.8 FCCCNCc1ccccc1 Amb27172983 [0,2,0,0,0,0|1,0,0]=3 15155 B12R1.8 FCCN\C=N\c1ccccc1 Amb26869476 [0,2,0,0,0,0|1,0,1]=4 15156 B12R1.8 ICCCCCc1ccccc1 Amb32411025 [0,2,0,0,0,0|1,0,0]=3 15157 B12R1.8 ICCCOCc1ccccc1 Amb26539397 [0,2,0,0,0,0|1,0,0]=3 15158 B12R1.8 N#CCCCCc1ccccc1 Amb8392139 [0,2,0,0,0,0|1,0,0]=3 15159 B12R1.8 N#CCCCNc1ccccn1 Amb27971997 [0,2,0,0,0,0|2,0,0]=4 15160 B12R1.8 N#CCCCOc1ccccc1 Amb446865 [0,2,0,0,0,0|1,0,0]=3 15161 B12R1.8 N#CCCCOc1ccccn1 Amb19374567 [0,2,0,0,0,0|2,0,0]=4 15162 B12R1.8 N#CCCNCc1ccccc1 Amb4244013 [0,2,0,0,0,0|1,0,0]=3 15163 B12R1.8 N#CCCNCc1ccccc1 Amb575385 [0,2,0,0,0,0|1,0,0]=3 15164 B12R1.8 N#CCCNCc1ccccn1 Amb6736564 [0,2,0,0,0,0|2,0,0]=4 15165 B12R1.8 N#CCCNCc1cccnc1 Amb1651452 [0,2,0,0,0,0|2,0,0]=4 15166 B12R1.8 N#CCCNCc1ccncc1 Amb2724266 [0,2,0,0,0,0|2,0,0]=4 15167 B12R1.8 N#CCCNNc1ccccc1 Amb17594020 [0,2,0,0,0,0|1,0,1]=4 15168 B12R1.8 N#CCCOCc1ccccc1 Amb6257990 [0,2,0,0,0,0|1,0,0]=3 15169 B12R1.8 N#CCCSCc1ccccc1 Amb4010928 [0,2,0,0,0,0|1,0,0]=3 15170 B12R1.8 N#CCC\C=C\c1ccccc1 Amb33081785 [0,2,0,0,0,0|1,0,1]=4 15171 B12R1.8 N#CCNCCc1ccccc1 Amb6711714 [0,2,0,0,0,0|1,0,0]=3 15172 B12R1.8 N#CCOCCc1ccccc1 Amb3992260 [0,2,0,0,0,0|1,0,0]=3 15173 B12R1.8 N#CCOCCc1ccccn1 Amb9208820 [0,2,0,0,0,0|2,0,0]=4 15174 B12R1.8 NCC#CCOc1ccccc1 Amb27165675 [0,2,0,0,0,0|1,0,1]=4 15175 B12R1.8 NCC#CCSc1ccccc1 Amb27865516 [0,2,0,0,0,0|1,0,1]=4 15176 B12R1.8 NCCC#CCc1ccccc1 Amb27640004 [0,2,0,0,0,0|1,0,0]=3 15177 B12R1.8 NCCCCCc1ccccc1 Amb18034503 [0,2,0,0,0,0|1,0,0]=3 15178 B12R1.8 NCCCCCc1ccccn1 Amb18563643 [0,2,0,0,0,0|2,0,0]=4 15179 B12R1.8 NCCCCNc1ccccn1 Amb13952725 [0,2,0,0,0,0|2,0,0]=4 15180 B12R1.8 NCCCCOc1ccccc1 Amb482499 [0,2,0,0,0,0|1,0,0]=3 15181 B12R1.8 NCCCCOc1ccccc1 Amb9677454 [0,2,0,0,0,0|1,0,0]=3 15182 B12R1.8 NCCCCOc1cccnc1 Amb9392841 [0,2,0,0,0,0|2,0,0]=4 15183 B12R1.8 NCCCCSc1ccccc1 Amb32662392 [0,2,0,0,0,0|1,0,0]=3 15184 B12R1.8 NCCCCSc1ccccc1 Amb9391586 [0,2,0,0,0,0|1,0,0]=3 15185 B12R1.8 NCCCCSc1ccccn1 Amb32662413 [0,2,0,0,0,0|2,0,0]=4 15186 B12R1.8 NCCCCSc1ccccn1 Amb9391947 [0,2,0,0,0,0|2,0,0]=4 15187 B12R1.8 NCCCNCc1ccccc1 Amb17720405 [0,2,0,0,0,0|1,0,0]=3 15188 B12R1.8 NCCCNCc1ccccc1 Amb6774034 [0,2,0,0,0,0|1,0,0]=3 15189 B12R1.8 NCCCNCc1ccccn1 Amb17315287 [0,2,0,0,0,0|2,0,0]=4 15190 B12R1.8 NCCCNCc1cccnc1 Amb17315286 [0,2,0,0,0,0|2,0,0]=4 15191 B12R1.8 NCCCNCc1ccncc1 Amb17315285 [0,2,0,0,0,0|2,0,0]=4 15192 B12R1.8 NCCCOCc1ccccc1 Amb1217769 [0,2,0,0,0,0|1,0,0]=3 15193 B12R1.8 NCCCSCc1ccccc1 Amb6265633 [0,2,0,0,0,0|1,0,0]=3 15194 B12R1.8 NCCC\C=C\c1ccccc1 Amb18563531 [0,2,0,0,0,0|1,0,0]=3 15195 B12R1.8 NCCNCCc1ccccc1 Amb1086596 [0,2,0,0,0,0|1,0,0]=3 15196 B12R1.8 NCCNOCc1ccccc1 Amb26336084 [0,2,0,0,0,0|1,0,0]=3 15197 B12R1.8 NCCNOCc1ccccc1 Amb32645664 [0,2,0,0,0,0|1,0,0]=3 15198 B12R1.8 NCCOCCc1ccccc1 Amb33547794 [0,2,0,0,0,0|1,0,0]=3 15199 B12R1.8 NCCOCCc1ccccc1 Amb7790966 [0,2,0,0,0,0|1,0,0]=3 15200 B12R1.8 NC\C=C\CCc1ccccc1 Amb32951855 [0,2,0,0,0,0|1,0,0]=3 15201 B12R1.8 NC\C=C\COc1ccccc1 Amb32428654 [0,2,0,0,0,0|1,0,1]=4 15202 B12R1.8 NNCCCOc1ccccc1 Amb19373220 [0,2,0,0,0,0|1,0,0]=3 15203 B12R1.8 NNCCCOc1ccccc1 Amb33624816 [0,2,0,0,0,0|1,0,0]=3 15204 B12R1.8 NNCCOCc1ccccc1 Amb27255784 [0,2,0,0,0,0|1,0,0]=3 15205 B12R1.8 NNCCOCc1ccccc1 Amb32668730 [0,2,0,0,0,0|1,0,0]=3 15206 B12R1.8 NOCCOCc1ccccc1 Amb26593148 [0,2,0,0,0,0|0,0,0]=2 15207 B12R1.8 NOCC\C=C\c1ccccc1 Amb18563583 [0,2,0,0,0,0|0,0,1]=3 15208 B12R1.8 O=C=NCCCc1ccccc1 Amb5750728 [0,2,0,0,0,0|0,0,1]=3 15209 B12R1.8 O=C=NCCCc1cccnc1 Amb31094170 [0,2,0,0,0,0|1,0,1]=4 15210 B12R1.8 O=C=NCCCc1ccncc1 Amb31094171 [0,2,0,0,0,0|1,0,1]=4 15211 B12R1.8 O=C=NCCOc1ccccc1 Amb13783673 [0,2,0,0,0,0|0,0,2]=4 15212 B12R1.8 O=CCCCCc1ccccc1 Amb18798121 [0,2,0,0,0,0|0,0,1]=3 15213 B12R1.8 O=CCCCOc1ccccc1 Amb18798283 [0,2,0,0,0,0|0,0,1]=3 15214 B12R1.8 O=CCCOCc1ccccc1 Amb8394259 [0,2,0,0,0,0|0,0,1]=3 15215 B12R1.8 O=CCCSCc1ccccc1 Amb18791178 [0,2,0,0,0,0|0,0,1]=3 15216 B12R1.8 O=CCC\C=C\c1ccccc1 Amb18645368 [0,2,0,0,0,0|0,0,2]=4 15217 B12R1.8 O=COC\C=C\c1ccccc1 Amb6357969 [0,2,0,0,0,0|0,0,2]=4 15218 B12R1.8 O=C\C=C\CCc1ccccc1 Amb32954855 [0,2,0,0,0,0|0,0,2]=4 15219 B12R1.8 OCC#CCCc1ccccc1 Amb27853908 [0,2,0,0,0,0|0,0,0]=2 15220 B12R1.8 OCC#CCOc1ccccc1 Amb28244225 [0,2,0,0,0,0|0,0,1]=3 15221 B12R1.8 OCC#C\C=C\c1ccccc1 Amb27977863 [0,2,0,0,0,0|0,0,2]=4 15222 B12R1.8 OCCC#CCc1ccccc1 Amb27981786 [0,2,0,0,0,0|0,0,0]=2 15223 B12R1.8 OCCC#CSc1ccccc1 Amb27615563 [0,2,0,0,0,0|0,0,1]=3 15224 B12R1.8 OCCC=C=Cc1ccccc1 Amb27972290 [0,2,0,0,0,0|0,0,1]=3 15225 B12R1.8 OCCCC#Cc1ccccc1 Amb22730795 [0,2,0,0,0,0|0,0,0]=2 15226 B12R1.8 OCCCCOc1ccccc1 Amb9370678 [0,2,0,0,0,0|0,0,0]=2 15227 B12R1.8 OCCCNCc1ccccc1 Amb2221510 [0,2,0,0,0,0|0,0,0]=2 15228 B12R1.8 OCCCNCc1ccccc1 Amb4017628 [0,2,0,0,0,0|0,0,0]=2 15229 B12R1.8 OCCCNCc1ccccn1 Amb33527209 [0,2,0,0,0,0|1,0,0]=3 15230 B12R1.8 OCCCNCc1cccnc1 Amb2114454 [0,2,0,0,0,0|1,0,0]=3 15231 B12R1.8 OCCCNCc1cccnc1 Amb33527208 [0,2,0,0,0,0|1,0,0]=3 15232 B12R1.8 OCCCNCc1ccncc1 Amb22588118 [0,2,0,0,0,0|1,0,0]=3 15233 B12R1.8 OCCCNCc1ccncc1 Amb6356097 [0,2,0,0,0,0|1,0,0]=3 15234 B12R1.8 OCCCOCc1ccccc1 Amb4035606 [0,2,0,0,0,0|0,0,0]=2 15235 B12R1.8 OCCCSCc1ccccc1 Amb6359471 [0,2,0,0,0,0|0,0,0]=2 15236 B12R1.8 OCCC\C=C\c1ccccc1 Amb33082089 [0,2,0,0,0,0|0,0,0]=2 15237 B12R1.8 OCCNCCc1ccccc1 Amb6711760 [0,2,0,0,0,0|0,0,0]=2 15238 B12R1.8 OCCNCCc1ccncc1 Amb1028249 [0,2,0,0,0,0|1,0,0]=3 15239 B12R1.8 OCCNOCc1ccccc1 Amb27658441 [0,2,0,0,0,0|0,0,0]=2 15240 B12R1.8 OCCN\C=C\c1ccccc1 Amb25087866 [0,2,0,0,0,0|0,0,1]=3 15241 B12R1.8 OCCOCCc1ccccc1 Amb18801040 [0,2,0,0,0,0|0,0,0]=2 15242 B12R1.8 OCCSCCc1ccccn1 Amb10608714 [0,2,0,0,0,0|1,0,0]=3 15243 B12R1.8 OCCSCCc1ccncc1 Amb8503796 [0,2,0,0,0,0|1,0,0]=3 15244 B12R1.8 OCOCOCc1ccccc1 Amb25803238 [0,2,0,0,0,0|0,0,0]=2 15245 B12R1.8 OC\C=C\C#Cc1ccccc1 Amb17593957 [0,2,0,0,0,0|0,0,2]=4 15246 B12R1.8 OC\C=C\C=C\c1ccccc1 Amb33081530 [0,2,0,0,0,0|0,0,2]=4 15247 B12R1.8 OC\C=C\CCc1ccccc1 Amb33082995 [0,2,0,0,0,0|0,0,0]=2 15248 B12R1.8 ONCCCCc1ccccc1 Amb32679349 [0,2,0,0,0,0|0,0,0]=2 15249 B12R1.8 ONCCCCc1ccccc1 Amb32679459 [0,2,0,0,0,0|0,0,0]=2 15250 B12R1.8 O\C=C/NCCc1ccccc1 Amb27975397 [0,2,0,0,0,0|0,0,1]=3 15251 B12R1.8 S=C=NCCCc1ccccc1 Amb5750753 [0,2,0,0,0,0|0,1,0]=3 15252 B12R1.8 S=C=NCCOc1ccccc1 Amb17233560 [0,2,0,0,0,0|0,1,1]=4 15253 B12R1.8 S=C=NCCSc1ccccc1 Amb2371165 [0,2,0,0,0,0|0,1,1]=4 15254 B12R1.8 SCCC\C=C\c1ccccc1 Amb33081102 [0,2,0,0,0,0|0,1,0]=3 15255 B12R1.8 [C-]#[N+]CCCCc1ccccc1 Amb2690273 [0,2,0,0,0,0|1,0,0]=3 15256 B12R1.8 [C-]#[N+]CCCOc1ccccc1 Amb33080522 [0,2,0,0,0,0|1,0,0]=3 15257 B12R1.8 [C-]#[N+]CC\C=C\c1ccccc1 Amb33081344 [0,2,0,0,0,0|1,0,1]=4 15258 B12R1.8 [N-]=[N+]=NCCCc1ccccc1 Amb10572439 [0,2,0,0,0,0|1,0,0]=3 15259 B12R1.8 [N-]=[N+]=NCCOc1ccccc1 Amb18788168 [0,2,0,0,0,0|2,0,0]=4 15260 B12R1.8 [N-]=[N+]=NCOCc1ccccc1 Amb27863974 [0,2,0,0,0,0|2,0,0]=4 15261 B12R1.27 C#CC(=O)CCc1ccccc1 Amb24483845 [0,2,0,0,0,0|0,0,2]=4 15262 B12R1.27 C#CC(C)CCc1ccccc1 Amb32951850 [0,2,0,0,0,0|1,0,0]=3 15263 B12R1.27 C#CC(C)NCc1ccccc1 Amb27866300 [0,2,0,0,0,0|1,0,1]=4 15264 B12R1.27 C#CC(N)CCc1ccccn1 Amb27168995 [0,2,0,0,0,0|2,0,0]=4 15265 B12R1.27 C#CC(N)CCc1ccncc1 Amb27167064 [0,2,0,0,0,0|2,0,0]=4 15266 B12R1.27 C#CC(O)C#Cc1ccccc1 Amb24544056 [0,2,0,0,0,0|0,0,2]=4 15267 B12R1.27 C#CC(O)CCc1ccccc1 Amb25024201 [0,2,0,0,0,0|0,0,0]=2 15268 B12R1.27 C#CC(O)CCc1ccccn1 Amb27651050 [0,2,0,0,0,0|1,0,0]=3 15269 B12R1.27 C#CC(O)CCc1cccnc1 Amb27760989 [0,2,0,0,0,0|1,0,0]=3 15270 B12R1.27 C#CC(O)CCc1ccncc1 Amb28063323 [0,2,0,0,0,0|1,0,0]=3 15271 B12R1.27 C#CC(O)CNc1ccccc1 Amb29875227 [0,2,0,0,0,0|1,0,0]=3 15272 B12R1.27 C#CC(O)\C=C\c1ccccc1 Amb3354803 [0,2,0,0,0,0|0,0,2]=4 15273 B12R1.27 C#C[C@H](C)NCc1ccccc1 Amb28461424 [0,2,0,0,0,0|1,0,1]=4 15274 B12R1.27 C#C[C@H](O)COc1ccccc1 Amb27394834 [0,2,0,0,0,0|1,0,0]=3 15275 B12R1.27 C#C[C@H](O)\C=C\c1ccccc1 Amb28127146 [0,2,0,0,0,0|0,0,2]=4 15276 B12R1.27 C=C(CBr)CCc1ccccc1 Amb32951881 [0,2,0,0,0,0|1,0,0]=3 15277 B12R1.27 C=C(CCl)CCc1ccccc1 Amb32951884 [0,2,0,0,0,0|1,0,0]=3 15278 B12R1.27 C=C(CCl)CNc1ccccc1 Amb28245221 [0,2,0,0,0,0|1,0,1]=4 15279 B12R1.27 C=C(CN)CCc1ccccc1 Amb32954092 [0,2,0,0,0,0|1,0,0]=3 15280 B12R1.27 C=CC(=O)CCc1ccccc1 Amb10562280 [0,2,0,0,0,0|0,0,2]=4 15281 B12R1.27 C=CC(O)CCc1ccccc1 Amb33082669 [0,2,0,0,0,0|0,0,0]=2 15282 B12R1.27 C=CC(O)\C=C\c1ccccc1 Amb27478521 [0,2,0,0,0,0|0,0,2]=4 15283 B12R1.27 C=C[C@@H](C)NCc1ccccc1 Amb27616678 [0,2,0,0,0,0|1,0,1]=4 15284 B12R1.27 C=C[C@H](O)C#Cc1ccccc1 Amb27660912 [0,2,0,0,0,0|0,0,2]=4 15285 B12R1.27 CC(C#N)CCc1ccccc1 Amb8950031 [0,2,0,0,0,0|1,0,0]=3 15286 B12R1.27 CC(C#N)CNc1ccccc1 Amb8867341 [0,2,0,0,0,0|1,0,1]=4 15287 B12R1.27 CC(C#N)COc1ccccc1 Amb9028581 [0,2,0,0,0,0|1,0,1]=4 15288 B12R1.27 CC(C#N)CSc1ccccc1 Amb4014426 [0,2,0,0,0,0|1,0,1]=4 15289 B12R1.27 CC(C#N)NCc1ccccc1 Amb17044860 [0,2,0,0,0,0|1,0,1]=4 15290 B12R1.27 CC(C#N)OCc1ccccc1 Amb18797967 [0,2,0,0,0,0|1,0,1]=4 15291 B12R1.27 CC(C=O)CCc1ccccc1 Amb4358580 [0,2,0,0,0,0|0,0,1]=3 15292 B12R1.27 CC(C=O)CSc1ccccc1 Amb17594629 [0,2,0,0,0,0|0,0,2]=4 15293 B12R1.27 CC(C=O)OCc1ccccc1 Amb18646071 [0,2,0,0,0,0|0,0,2]=4 15294 B12R1.27 CC(C=O)SCc1ccccc1 Amb18648419 [0,2,0,0,0,0|0,0,2]=4 15295 B12R1.27 CC(CBr)CCc1ccccc1 Amb32954572 [0,2,0,0,0,0|1,0,0]=3 15296 B12R1.27 CC(CBr)NCc1ccccc1 Amb28318958 [0,2,0,0,0,0|1,0,0]=3 15297 B12R1.27 CC(CCc1ccccc1)ON Amb32951848 [0,2,0,0,0,0|0,0,0]=2 15298 B12R1.27 CC(CCl)CNc1ccccc1 Amb22756334 [0,2,0,0,0,0|1,0,0]=3 15299 B12R1.27 CC(CCl)CNc1ccncc1 Amb27264316 [0,2,0,0,0,0|2,0,0]=4 15300 B12R1.27 CC(CN)CCc1ccccc1 Amb4358596 [0,2,0,0,0,0|1,0,0]=3 15301 B12R1.27 CC(CN)CNc1ccncc1 Amb28137435 [0,2,0,0,0,0|2,0,0]=4 15302 B12R1.27 CC(CN)COc1ccccc1 Amb9029321 [0,2,0,0,0,0|1,0,0]=3 15303 B12R1.27 CC(CN)NCc1ccccc1 Amb18646179 [0,2,0,0,0,0|1,0,0]=3 15304 B12R1.27 CC(CN)OCc1ccccc1 Amb18312421 [0,2,0,0,0,0|1,0,0]=3 15305 B12R1.27 CC(CN)SCc1ccccc1 Amb19024833 [0,2,0,0,0,0|1,0,0]=3 15306 B12R1.27 CC(CO)CCc1ccccc1 Amb32413001 [0,2,0,0,0,0|0,0,0]=2 15307 B12R1.27 CC(CO)COc1ccccc1 Amb17232599 [0,2,0,0,0,0|0,0,0]=2 15308 B12R1.27 CC(CO)NCc1ccccc1 Amb2697658 [0,2,0,0,0,0|0,0,0]=2 15309 B12R1.27 CC(CO)NCc1ccccn1 Amb9359669 [0,2,0,0,0,0|1,0,0]=3 15310 B12R1.27 CC(CO)NCc1cccnc1 Amb9359842 [0,2,0,0,0,0|1,0,0]=3 15311 B12R1.27 CC(CO)NCc1ccncc1 Amb9359837 [0,2,0,0,0,0|1,0,0]=3 15312 B12R1.27 CC(CO)OCc1ccccc1 Amb25667474 [0,2,0,0,0,0|0,0,0]=2 15313 B12R1.27 CC(COc1ccccc1)NN Amb18563755 [0,2,0,0,0,0|2,0,0]=4 15314 B12R1.27 CC(COc1ccccc1)NN Amb33552558 [0,2,0,0,0,0|2,0,0]=4 15315 B12R1.27 CC(CS)NCc1ccccc1 Amb27606358 [0,2,0,0,0,0|0,1,0]=3 15316 B12R1.27 CC(\C=C\c1ccccc1)CBr Amb33080770 [0,2,0,0,0,0|1,0,1]=4 15317 B12R1.27 CC(\C=C\c1ccccc1)CN Amb33081132 [0,2,0,0,0,0|1,0,1]=4 15318 B12R1.27 CC(\C=C\c1ccccc1)ON Amb33080788 [0,2,0,0,0,0|0,0,2]=4 15319 B12R1.27 CC(\C=N\c1ccccc1)CO Amb20248421 [0,2,0,0,0,0|0,0,1]=3 15320 B12R1.27 CCC(=N)NCc1ccccc1 Amb24388885 [0,2,0,0,0,0|1,0,1]=4 15321 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [0,2,0,0,0,0|1,0,0]=3 15322 B12R1.27 CCC(=O)CNc1ccccc1 Amb27643385 [0,2,0,0,0,0|1,0,1]=4 15323 B12R1.27 CCC(=O)CSc1ccccc1 Amb4165963 [0,2,0,0,0,0|1,0,1]=4 15324 B12R1.27 CCC(=O)NCc1ccccc1 Amb3097295 [0,2,0,0,0,0|1,0,1]=4 15325 B12R1.27 CCC(=O)OCc1ccccc1 Amb6357157 [0,2,0,0,0,0|1,0,1]=4 15326 B12R1.27 CCC(=S)OCc1ccccc1 Amb28078330 [0,2,0,0,0,0|1,0,1]=4 15327 B12R1.27 CCC(C)CNc1cccnc1 Amb6719795 [0,2,0,0,0,0|2,0,0]=4 15328 B12R1.27 CCC(C)NCc1ccccc1 Amb5729099 [0,2,0,0,0,0|1,0,0]=3 15329 B12R1.27 CCC(C)NCc1ccccc1 Amb837601 [0,2,0,0,0,0|1,0,0]=3 15330 B12R1.27 CCC(C)NCc1ccccn1 Amb20673664 [0,2,0,0,0,0|2,0,0]=4 15331 B12R1.27 CCC(C)NCc1ccccn1 Amb6868322 [0,2,0,0,0,0|2,0,0]=4 15332 B12R1.27 CCC(C)NCc1ccccn1 Amb9749024 [0,2,0,0,0,0|2,0,0]=4 15333 B12R1.27 CCC(C)NCc1cccnc1 Amb20673665 [0,2,0,0,0,0|2,0,0]=4 15334 B12R1.27 CCC(C)NCc1cccnc1 Amb6864746 [0,2,0,0,0,0|2,0,0]=4 15335 B12R1.27 CCC(C)NCc1cccnc1 Amb9740406 [0,2,0,0,0,0|2,0,0]=4 15336 B12R1.27 CCC(C)NCc1ccncc1 Amb20673659 [0,2,0,0,0,0|2,0,0]=4 15337 B12R1.27 CCC(C)NCc1ccncc1 Amb6864745 [0,2,0,0,0,0|2,0,0]=4 15338 B12R1.27 CCC(C)NCc1ccncc1 Amb9740411 [0,2,0,0,0,0|2,0,0]=4 15339 B12R1.27 CCC(N)C#Cc1ccccc1 Amb27401916 [0,2,0,0,0,0|1,0,1]=4 15340 B12R1.27 CCC(N)CCc1ccccc1 Amb9031865 [0,2,0,0,0,0|1,0,0]=3 15341 B12R1.27 CCC(N)CNc1ccccc1 Amb19009674 [0,2,0,0,0,0|1,0,0]=3 15342 B12R1.27 CCC(N)CNc1ccncc1 Amb27247990 [0,2,0,0,0,0|2,0,0]=4 15343 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [0,2,0,0,0,0|1,0,0]=3 15344 B12R1.27 CCC(N)COc1ccccn1 Amb22522748 [0,2,0,0,0,0|2,0,0]=4 15345 B12R1.27 CCC(N)CSc1ccccc1 Amb17485970 [0,2,0,0,0,0|1,0,0]=3 15346 B12R1.27 CCC(N)CSc1ccccn1 Amb22642703 [0,2,0,0,0,0|2,0,0]=4 15347 B12R1.27 CCC(N)CSc1ccccn1 Amb32662279 [0,2,0,0,0,0|2,0,0]=4 15348 B12R1.27 CCC(O)C#Cc1ccccc1 Amb2721621 [0,2,0,0,0,0|0,0,2]=4 15349 B12R1.27 CCC(O)CCc1ccccc1 Amb17138574 [0,2,0,0,0,0|0,0,0]=2 15350 B12R1.27 CCC(O)CCc1cccnc1 Amb30584931 [0,2,0,0,0,0|1,0,0]=3 15351 B12R1.27 CCC(O)CNc1ccccc1 Amb13952005 [0,2,0,0,0,0|1,0,0]=3 15352 B12R1.27 CCC(O)CNc1ccncc1 Amb27595133 [0,2,0,0,0,0|2,0,0]=4 15353 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [0,2,0,0,0,0|0,0,2]=4 15354 B12R1.27 CC[C@@H](C)NCc1ccccc1 Amb28283155 [0,2,0,0,0,0|1,0,0]=3 15355 B12R1.27 CC[C@@H](O)CNc1ccccc1 Amb27793988 [0,2,0,0,0,0|1,0,0]=3 15356 B12R1.27 CC[C@H](N)C#Cc1ccccc1 Amb28076758 [0,2,0,0,0,0|1,0,1]=4 15357 B12R1.27 CC[C@H](N)CNc1ccccc1 Amb27965358 [0,2,0,0,0,0|1,0,0]=3 15358 B12R1.27 CC[C@H](O)CNc1ccccc1 Amb28071833 [0,2,0,0,0,0|1,0,0]=3 15359 B12R1.27 CC[C@H](O)\C=C\c1ccccc1 Amb27205385 [0,2,0,0,0,0|0,0,2]=4 15360 B12R1.27 CNC(=O)CCc1ccccc1 Amb3886651 [0,2,0,0,0,0|0,0,2]=4 15361 B12R1.27 CNC(=S)CCc1ccccc1 Amb4430624 [0,2,0,0,0,0|0,1,1]=4 15362 B12R1.27 CNC(C)CCc1ccccc1 Amb1138722 [0,2,0,0,0,0|1,0,0]=3 15363 B12R1.27 CNC(C)CCc1cccnc1 Amb17507452 [0,2,0,0,0,0|2,0,0]=4 15364 B12R1.27 CNC(C)CSc1ccccc1 Amb32663529 [0,2,0,0,0,0|2,0,0]=4 15365 B12R1.27 CNC(C)CSc1ccccc1 Amb32664540 [0,2,0,0,0,0|2,0,0]=4 15366 B12R1.27 CN[C@H](C)CNc1ccccc1 Amb28076762 [0,2,0,0,0,0|2,0,0]=4 15367 B12R1.27 COC(=N)CCc1ccccn1 Amb18563625 [0,2,0,0,0,0|1,0,1]=4 15368 B12R1.27 COC(=N)CCc1cccnc1 Amb18563630 [0,2,0,0,0,0|1,0,1]=4 15369 B12R1.27 COC(=N)CCc1ccncc1 Amb18563635 [0,2,0,0,0,0|1,0,1]=4 15370 B12R1.27 COC(=N)CSc1ccccc1 Amb29847972 [0,2,0,0,0,0|1,0,1]=4 15371 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [0,2,0,0,0,0|0,0,1]=3 15372 B12R1.27 COC(=O)CCc1cccnc1 Amb6357821 [0,2,0,0,0,0|1,0,1]=4 15373 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,2,0,0,0,0|1,0,1]=4 15374 B12R1.27 COC(=O)CNc1ccccc1 Amb33548260 [0,2,0,0,0,0|1,0,1]=4 15375 B12R1.27 COC(=O)CNc1ccccc1 Amb6323391 [0,2,0,0,0,0|1,0,1]=4 15376 B12R1.27 COC(=O)COc1ccccc1 Amb2689596 [0,2,0,0,0,0|1,0,1]=4 15377 B12R1.27 COC(=O)CSc1ccccc1 Amb2689638 [0,2,0,0,0,0|1,0,1]=4 15378 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [0,2,0,0,0,0|1,0,1]=4 15379 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,2,0,0,0,0|1,0,1]=4 15380 B12R1.27 COC(=S)NCc1ccccc1 Amb27388388 [0,2,0,0,0,0|1,0,1]=4 15381 B12R1.27 COC(C)CNc1ccncc1 Amb27748266 [0,2,0,0,0,0|2,0,0]=4 15382 B12R1.27 COC(Cl)\C=C\c1ccccc1 Amb26371733 [0,2,0,0,0,0|0,0,2]=4 15383 B12R1.27 CSC(C)CNc1ccccc1 Amb18312645 [0,2,0,0,0,0|1,1,0]=4 15384 B12R1.27 C[C@@H](C=O)OCc1ccccc1 Amb17609288 [0,2,0,0,0,0|0,0,2]=4 15385 B12R1.27 C[C@@H](CF)NCc1ccccc1 Amb28145925 [0,2,0,0,0,0|1,0,0]=3 15386 B12R1.27 C[C@@H](CN)NCc1ccccc1 Amb24396541 [0,2,0,0,0,0|1,0,0]=3 15387 B12R1.27 C[C@@H](CO)NCc1ccccc1 Amb19301927 [0,2,0,0,0,0|0,0,0]=2 15388 B12R1.27 C[C@@H](CO)OCc1ccccc1 Amb17609287 [0,2,0,0,0,0|0,0,0]=2 15389 B12R1.27 C[C@@H](CO)\N=C\c1ccccc1 Amb28190372 [0,2,0,0,0,0|0,0,1]=3 15390 B12R1.27 C[C@@H](\C=C\c1ccccc1)CO Amb27642008 [0,2,0,0,0,0|0,0,1]=3 15391 B12R1.27 C[C@H](CF)NCc1ccccc1 Amb28066677 [0,2,0,0,0,0|1,0,0]=3 15392 B12R1.27 C[C@H](CN)NCc1ccccc1 Amb25861224 [0,2,0,0,0,0|1,0,0]=3 15393 B12R1.27 C[C@H](CO)NCc1ccccc1 Amb19375302 [0,2,0,0,0,0|0,0,0]=2 15394 B12R1.27 C\C(=C/Cc1ccccc1)CN Amb27402545 [0,2,0,0,0,0|1,0,1]=4 15395 B12R1.27 C\C(=C\Cc1ccccc1)CO Amb17594048 [0,2,0,0,0,0|0,0,1]=3 15396 B12R1.27 C\C(=C\Cl)CCc1ccccc1 Amb27658993 [0,2,0,0,0,0|1,0,1]=4 15397 B12R1.27 C\C(COc1ccccc1)=N\O Amb35672643 [0,2,0,0,0,0|1,0,1]=4 15398 B12R1.27 ClCC(Cl)\C=C\c1ccccc1 Amb25124868 [0,2,0,0,0,0|1,0,1]=4 15399 B12R1.27 N#CC(Br)CCc1ccccc1 Amb26518843 [0,2,0,0,0,0|1,0,0]=3 15400 B12R1.27 N#CC(N)CCc1ccccc1 Amb18999188 [0,2,0,0,0,0|1,0,0]=3 15401 B12R1.27 N#CC(N)CCc1cccnc1 Amb28062953 [0,2,0,0,0,0|2,0,0]=4 15402 B12R1.27 N#CC(N)COc1ccccc1 Amb17076555 [0,2,0,0,0,0|1,0,1]=4 15403 B12R1.27 N#CC(O)\C=C\c1ccccc1 Amb28208386 [0,2,0,0,0,0|0,0,2]=4 15404 B12R1.27 N#C[C@@H](O)COc1ccccc1 Amb24474239 [0,2,0,0,0,0|1,0,0]=3 15405 B12R1.27 N#C[C@H](O)COc1ccccc1 Amb28461129 [0,2,0,0,0,0|1,0,0]=3 15406 B12R1.27 N=C(CO)OCc1ccccc1 Amb27598593 [0,2,0,0,0,0|0,0,1]=3 15407 B12R1.27 NC(CO)CCc1ccccc1 Amb18315307 [0,2,0,0,0,0|0,0,0]=2 15408 B12R1.27 NC(CO)CCc1ccccc1 Amb32753518 [0,2,0,0,0,0|0,0,0]=2 15409 B12R1.27 NC(CO)CCc1ccccn1 Amb18563729 [0,2,0,0,0,0|1,0,0]=3 15410 B12R1.27 NC(CO)CCc1cccnc1 Amb18563730 [0,2,0,0,0,0|1,0,0]=3 15411 B12R1.27 NC(CO)CCc1ccncc1 Amb18563732 [0,2,0,0,0,0|1,0,0]=3 15412 B12R1.27 NC(CO)CNc1ccccn1 Amb28194944 [0,2,0,0,0,0|1,0,0]=3 15413 B12R1.27 NC(CO)CNc1cccnn1 Amb28383825 [0,2,0,0,0,0|2,0,0]=4 15414 B12R1.27 NC(CO)COc1ccccc1 Amb18563798 [0,2,0,0,0,0|0,0,0]=2 15415 B12R1.27 NC(\C=C\c1ccccc1)CO Amb32954713 [0,2,0,0,0,0|0,0,1]=3 15416 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [0,2,0,0,0,0|1,0,0]=3 15417 B12R1.27 NCC(=O)CCc1ccccc1 Amb35788694 [0,2,0,0,0,0|1,0,0]=3 15418 B12R1.27 NCC(=O)NCc1ccccc1 Amb6477742 [0,2,0,0,0,0|1,0,1]=4 15419 B12R1.27 NCC(=O)NCc1ccccc1 Amb7969763 [0,2,0,0,0,0|1,0,1]=4 15420 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [0,2,0,0,0,0|1,0,1]=4 15421 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [0,2,0,0,0,0|1,0,1]=4 15422 B12R1.27 NCC(Cl)\C=C\c1ccccc1 Amb27447294 [0,2,0,0,0,0|1,0,1]=4 15423 B12R1.27 NCC(F)CCc1ccccc1 Amb32953336 [0,2,0,0,0,0|1,0,0]=3 15424 B12R1.27 NCC(F)\C=C\c1ccccc1 Amb33081747 [0,2,0,0,0,0|1,0,1]=4 15425 B12R1.27 NCC(O)CCc1ccccc1 Amb18315280 [0,2,0,0,0,0|0,0,0]=2 15426 B12R1.27 NCC(O)CNc1ccccc1 Amb17138613 [0,2,0,0,0,0|1,0,0]=3 15427 B12R1.27 NCC(O)COc1ccccc1 Amb6365926 [0,2,0,0,0,0|1,0,0]=3 15428 B12R1.27 NCC(O)COc1ccccc1 Amb9710900 [0,2,0,0,0,0|1,0,0]=3 15429 B12R1.27 NCC(O)CSc1ccccc1 Amb6678669 [0,2,0,0,0,0|1,0,0]=3 15430 B12R1.27 NCC(O)\C=C\c1ccccc1 Amb32953205 [0,2,0,0,0,0|0,0,2]=4 15431 B12R1.27 NC[C@@H](O)CCc1ccccc1 Amb32952383 [0,2,0,0,0,0|0,0,0]=2 15432 B12R1.27 NC[C@@H](O)COc1ccccc1 Amb22747719 [0,2,0,0,0,0|1,0,0]=3 15433 B12R1.27 NC[C@@H](O)\C=C\c1ccccc1 Amb33080765 [0,2,0,0,0,0|0,0,2]=4 15434 B12R1.27 NC[C@H](O)CCc1ccccc1 Amb33081741 [0,2,0,0,0,0|0,0,0]=2 15435 B12R1.27 NC[C@H](O)\C=C\c1ccccc1 Amb33080762 [0,2,0,0,0,0|0,0,2]=4 15436 B12R1.27 NNC(=O)CCc1ccccc1 Amb1130599 [0,2,0,0,0,0|0,0,2]=4 15437 B12R1.27 NNC(=S)CCc1ccccc1 Amb27492786 [0,2,0,0,0,0|0,1,1]=4 15438 B12R1.27 N[C@@H](CO)CCc1ccccc1 Amb32683468 [0,2,0,0,0,0|0,0,0]=2 15439 B12R1.27 N[C@@H](CO)CCc1ccccc1 Amb6308799 [0,2,0,0,0,0|0,0,0]=2 15440 B12R1.27 N[C@@H](CO)CNc1ccccc1 Amb27233028 [0,2,0,0,0,0|0,0,0]=2 15441 B12R1.27 N[C@@H](\C=C\c1ccccc1)CO Amb33081817 [0,2,0,0,0,0|0,0,1]=3 15442 B12R1.27 N[C@H](CO)CCc1ccccc1 Amb32683465 [0,2,0,0,0,0|0,0,0]=2 15443 B12R1.27 N[C@H](CO)CCc1ccccc1 Amb32683466 [0,2,0,0,0,0|0,0,0]=2 15444 B12R1.27 N[C@H](CO)OCc1ccccc1 Amb27633618 [0,2,0,0,0,0|0,0,0]=2 15445 B12R1.27 N[C@H](\C=C\c1ccccc1)CO Amb32953226 [0,2,0,0,0,0|0,0,1]=3 15446 B12R1.27 N\C(CCc1ccccc1)=N/O Amb1115853 [0,2,0,0,0,0|0,0,1]=3 15447 B12R1.27 N\C(CCc1ccccc1)=N\O Amb22053006 [0,2,0,0,0,0|0,0,1]=3 15448 B12R1.27 N\C(CCc1ccccn1)=N/O Amb18792639 [0,2,0,0,0,0|1,0,1]=4 15449 B12R1.27 N\C(CCc1cccnc1)=N/O Amb24678911 [0,2,0,0,0,0|1,0,1]=4 15450 B12R1.27 N\C(CCc1ccncc1)=N/O Amb18792640 [0,2,0,0,0,0|1,0,1]=4 15451 B12R1.27 N\C(COc1ccccc1)=N/O Amb6666310 [0,2,0,0,0,0|1,0,1]=4 15452 B12R1.27 N\C(CSc1ccccc1)=N/O Amb6677887 [0,2,0,0,0,0|1,0,1]=4 15453 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [0,2,0,0,0,0|1,0,0]=3 15454 B12R1.27 O=C(CBr)COc1ccccc1 Amb20668077 [0,2,0,0,0,0|1,0,1]=4 15455 B12R1.27 O=C(CBr)NCc1ccccc1 Amb2221074 [0,2,0,0,0,0|1,0,1]=4 15456 B12R1.27 O=C(CBr)OCc1ccccc1 Amb2720586 [0,2,0,0,0,0|1,0,1]=4 15457 B12R1.27 O=C(CCc1ccccc1)NO Amb6277186 [0,2,0,0,0,0|0,0,1]=3 15458 B12R1.27 O=C(CCl)CCc1ccccc1 Amb17139043 [0,2,0,0,0,0|1,0,0]=3 15459 B12R1.27 O=C(CCl)COc1ccccc1 Amb17139095 [0,2,0,0,0,0|1,0,1]=4 15460 B12R1.27 O=C(CCl)CSc1ccccc1 Amb32435047 [0,2,0,0,0,0|1,0,1]=4 15461 B12R1.27 O=C(CCl)NCc1ccccc1 Amb6324481 [0,2,0,0,0,0|1,0,1]=4 15462 B12R1.27 O=C(CCl)OCc1ccccc1 Amb844249 [0,2,0,0,0,0|1,0,1]=4 15463 B12R1.27 O=C(CF)NCc1ccccc1 Amb27237611 [0,2,0,0,0,0|1,0,1]=4 15464 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [0,2,0,0,0,0|1,0,1]=4 15465 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [0,2,0,0,0,0|1,0,1]=4 15466 B12R1.27 O=C(CO)CCc1ccccc1 Amb18563609 [0,2,0,0,0,0|0,0,0]=2 15467 B12R1.27 O=C(CO)CCc1ccccn1 Amb18563673 [0,2,0,0,0,0|1,0,0]=3 15468 B12R1.27 O=C(CO)CCc1cccnc1 Amb18563674 [0,2,0,0,0,0|1,0,0]=3 15469 B12R1.27 O=C(CO)CCc1ccncc1 Amb18563675 [0,2,0,0,0,0|1,0,0]=3 15470 B12R1.27 O=C(CO)COc1ccccc1 Amb18563713 [0,2,0,0,0,0|0,0,1]=3 15471 B12R1.27 O=C(CO)NCc1ccccc1 Amb1111331 [0,2,0,0,0,0|0,0,1]=3 15472 B12R1.27 O=C(CO)NCc1ccccn1 Amb17334667 [0,2,0,0,0,0|1,0,1]=4 15473 B12R1.27 O=C(CO)NCc1cccnc1 Amb17334668 [0,2,0,0,0,0|1,0,1]=4 15474 B12R1.27 O=C(CO)NCc1ccncc1 Amb17334669 [0,2,0,0,0,0|1,0,1]=4 15475 B12R1.27 O=C(CO)NNc1ccccc1 Amb27615381 [0,2,0,0,0,0|1,0,1]=4 15476 B12R1.27 O=C(CO)OCc1ccccc1 Amb3939223 [0,2,0,0,0,0|0,0,1]=3 15477 B12R1.27 O=C(COc1ccccc1)NO Amb6270455 [0,2,0,0,0,0|1,0,1]=4 15478 B12R1.27 O=C(CS)OCc1ccccc1 Amb9786411 [0,2,0,0,0,0|0,1,1]=4 15479 B12R1.27 O=C(CSc1ccccc1)NO Amb27590137 [0,2,0,0,0,0|1,0,1]=4 15480 B12R1.27 O=C(NO)OCc1ccccc1 Amb2445312 [0,2,0,0,0,0|1,0,1]=4 15481 B12R1.27 OC(C#Cc1ccccc1)CCl Amb27592094 [0,2,0,0,0,0|0,0,2]=4 15482 B12R1.27 OC(C#Cc1ccccc1)CS Amb27664289 [0,2,0,0,0,0|0,0,2]=4 15483 B12R1.27 OC(CBr)CCc1ccccc1 Amb32951853 [0,2,0,0,0,0|0,0,0]=2 15484 B12R1.27 OC(CCl)CCc1ccccc1 Amb32954413 [0,2,0,0,0,0|0,0,0]=2 15485 B12R1.27 OC(CCl)CNc1ccccc1 Amb10565986 [0,2,0,0,0,0|1,0,0]=3 15486 B12R1.27 OC(CCl)COc1ccccc1 Amb9787566 [0,2,0,0,0,0|1,0,0]=3 15487 B12R1.27 OC(CCl)CSc1ccccc1 Amb32421552 [0,2,0,0,0,0|1,0,0]=3 15488 B12R1.27 OC(CF)CCc1ccccc1 Amb32954420 [0,2,0,0,0,0|0,0,0]=2 15489 B12R1.27 OC(CF)CNc1ccccc1 Amb26517065 [0,2,0,0,0,0|1,0,0]=3 15490 B12R1.27 OC(CF)COc1ccccc1 Amb32661710 [0,2,0,0,0,0|1,0,0]=3 15491 B12R1.27 OC(CF)CSc1ccccn1 Amb33495211 [0,2,0,0,0,0|2,0,0]=4 15492 B12R1.27 OC(CF)CSc1ccncc1 Amb33495210 [0,2,0,0,0,0|2,0,0]=4 15493 B12R1.27 OC(\C=C\c1ccccc1)CBr Amb33080783 [0,2,0,0,0,0|0,0,2]=4 15494 B12R1.27 OC(\C=C\c1ccccc1)CCl Amb26527861 [0,2,0,0,0,0|0,0,2]=4 15495 B12R1.27 OC(\C=C\c1ccccc1)CF Amb32953290 [0,2,0,0,0,0|0,0,2]=4 15496 B12R1.27 OCC(=S)OCc1ccccc1 Amb27835138 [0,2,0,0,0,0|0,0,1]=3 15497 B12R1.27 OCC(F)COc1ccccc1 Amb32661700 [0,2,0,0,0,0|0,0,0]=2 15498 B12R1.27 OCC(F)\C=C\c1ccccc1 Amb27593937 [0,2,0,0,0,0|0,0,1]=3 15499 B12R1.27 OCC(O)CCc1ccccc1 Amb17508778 [0,2,0,0,0,0|0,0,0]=2 15500 B12R1.27 OCC(O)CNc1ccccn1 Amb27265848 [0,2,0,0,0,0|1,0,0]=3 15501 B12R1.27 OCC(O)COc1ccccc1 Amb532993 [0,2,0,0,0,0|0,0,0]=2 15502 B12R1.27 OCC(O)\C=C\c1ccccc1 Amb32953203 [0,2,0,0,0,0|0,0,1]=3 15503 B12R1.27 OC[C@@H](O)COc1ccccc1 Amb30621933 [0,2,0,0,0,0|0,0,0]=2 15504 B12R1.27 OC[C@@H](O)OCc1ccccc1 Amb28065346 [0,2,0,0,0,0|0,0,0]=2 15505 B12R1.27 OC[C@H](O)CNc1ccccc1 Amb27238799 [0,2,0,0,0,0|0,0,0]=2 15506 B12R1.27 OC[C@H](O)COc1ccccc1 Amb10982588 [0,2,0,0,0,0|0,0,0]=2 15507 B12R1.27 OC[C@H](O)\C=C\c1ccccc1 Amb28410835 [0,2,0,0,0,0|0,0,1]=3 15508 B12R1.27 O\N=C(/Cl)CCc1ccccc1 Amb32661748 [0,2,0,0,0,0|0,0,1]=3 15509 B12R1.27 S=C(CCl)NCc1ccccc1 Amb27592143 [0,2,0,0,0,0|1,0,1]=4 15510 B12R1.27 [C-]#[N+]C(C)CCc1ccccc1 Amb2689630 [0,2,0,0,0,0|1,0,0]=3 15511 B12R1.27 [C-]#[N+]C(C)COc1ccccc1 Amb28385134 [0,2,0,0,0,0|2,0,0]=4 15512 B12R1.27 [NH3+]CC(=O)OCc1ccccc1 Amb4037912 [0,2,0,0,0,0|1,0,1]=4 15513 B12R1.32 C#CCC(N)Cc1ccccc1 Amb18296094 [0,2,0,0,0,0|1,0,0]=3 15514 B12R1.32 C#CCC(N)Cc1ccccc1 Amb32652619 [0,2,0,0,0,0|1,0,0]=3 15515 B12R1.32 C#CCC(O)Cc1ccccc1 Amb18800362 [0,2,0,0,0,0|1,0,0]=3 15516 B12R1.32 C#CCC(O)Cc1ccccn1 Amb18800521 [0,2,0,0,0,0|2,0,0]=4 15517 B12R1.32 C#CCC(O)Cc1cccnc1 Amb18800525 [0,2,0,0,0,0|2,0,0]=4 15518 B12R1.32 C#CCN(C)Cc1ccccc1 Amb3940470 [0,2,0,0,0,0|1,0,1]=4 15519 B12R1.32 C#CCN(C)Cc1ccccc1 Amb8390240 [0,2,0,0,0,0|1,0,1]=4 15520 B12R1.32 C=C(CCN)Cc1ccccc1 Amb32953132 [0,2,0,0,0,0|1,0,0]=3 15521 B12R1.32 C=CCC(C)Nc1ccccc1 Amb27794468 [0,2,0,0,0,0|1,0,1]=4 15522 B12R1.32 C=CCC(N)Cc1ccccc1 Amb32663713 [0,2,0,0,0,0|1,0,0]=3 15523 B12R1.32 C=CCC(N)Cc1ccccc1 Amb33538411 [0,2,0,0,0,0|1,0,0]=3 15524 B12R1.32 C=CCC(O)Cc1ccccc1 Amb18177786 [0,2,0,0,0,0|1,0,0]=3 15525 B12R1.32 C=CCN(C)Cc1ccccc1 Amb6360694 [0,2,0,0,0,0|1,0,1]=4 15526 B12R1.32 C=CCN(N)Cc1ccccc1 Amb26501723 [0,2,0,0,0,0|1,0,1]=4 15527 B12R1.32 CC#CC(Cl)Cc1ccccc1 Amb27232835 [0,2,0,0,0,0|1,0,1]=4 15528 B12R1.32 CC#CC(O)Cc1ccccc1 Amb4034860 [0,2,0,0,0,0|1,0,1]=4 15529 B12R1.32 CC(CC#N)Nc1ccccc1 Amb17138511 [0,2,0,0,0,0|1,0,1]=4 15530 B12R1.32 CC(CC#N)Oc1ccccc1 Amb17232369 [0,2,0,0,0,0|1,0,1]=4 15531 B12R1.32 CC(CCCl)Nc1ccccn1 Amb27254697 [0,2,0,0,0,0|2,0,0]=4 15532 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [0,2,0,0,0,0|1,0,0]=3 15533 B12R1.32 CC(CCN)Oc1ccccc1 Amb17232556 [0,2,0,0,0,0|1,0,0]=3 15534 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [0,2,0,0,0,0|0,0,0]=2 15535 B12R1.32 CC(CCO)Nc1ccccn1 Amb27433290 [0,2,0,0,0,0|1,0,0]=3 15536 B12R1.32 CC(CCO)Oc1ccccc1 Amb17232598 [0,2,0,0,0,0|0,0,0]=2 15537 B12R1.32 CC(CNN)Oc1ccccc1 Amb18563756 [0,2,0,0,0,0|2,0,0]=4 15538 B12R1.32 CC(CON)Cc1ccccc1 Amb32953166 [0,2,0,0,0,0|0,0,0]=2 15539 B12R1.32 CC(Cc1ccccc1)N=C=O Amb17103991 [0,2,0,0,0,0|0,0,2]=4 15540 B12R1.32 CC(Cc1ccccc1)N=C=S Amb18790890 [0,2,0,0,0,0|0,1,1]=4 15541 B12R1.32 CC(Cc1ccccc1)NC=O Amb8503525 [0,2,0,0,0,0|0,0,2]=4 15542 B12R1.32 CCCC(=O)Cc1ccccc1 Amb3940679 [0,2,0,0,0,0|1,0,0]=3 15543 B12R1.32 CCCC(=O)Nc1ccccc1 Amb5794989 [0,2,0,0,0,0|1,0,1]=4 15544 B12R1.32 CCCC(=O)Oc1ccccc1 Amb3103918 [0,2,0,0,0,0|1,0,1]=4 15545 B12R1.32 CCCC(C)Nc1ccccc1 Amb6685188 [0,2,0,0,0,0|1,0,0]=3 15546 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [0,2,0,0,0,0|1,0,0]=3 15547 B12R1.32 CCC\C(I)=C/c1ccccc1 Amb22546627 [0,2,0,0,0,0|1,0,1]=4 15548 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [0,2,0,0,0,0|1,0,0]=3 15549 B12R1.32 CCNC(C)Cc1ccccn1 Amb1995151 [0,2,0,0,0,0|2,0,0]=4 15550 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [0,2,0,0,0,0|1,0,1]=4 15551 B12R1.32 CCOC(=N)Cc1ccccc1 Amb2612454 [0,2,0,0,0,0|1,0,1]=4 15552 B12R1.32 CCOC(=O)Cc1ccccc1 Amb3940130 [0,2,0,0,0,0|1,0,1]=4 15553 B12R1.32 CC\N=C(\N)Cc1ccccc1 Amb23569052 [0,2,0,0,0,0|1,0,1]=4 15554 B12R1.32 CN(CC#N)Cc1ccccc1 Amb5781387 [0,2,0,0,0,0|1,0,1]=4 15555 B12R1.32 CN(CC=O)Cc1ccccc1 Amb18800711 [0,2,0,0,0,0|0,0,2]=4 15556 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [0,2,0,0,0,0|1,0,0]=3 15557 B12R1.32 CN(CCBr)Cc1ccccc1 Amb32882453 [0,2,0,0,0,0|1,0,0]=3 15558 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [0,2,0,0,0,0|1,0,0]=3 15559 B12R1.32 CN(CCCl)Cc1ccccc1 Amb3940690 [0,2,0,0,0,0|1,0,0]=3 15560 B12R1.32 CN(CCCl)Cc1ccccn1 Amb17335728 [0,2,0,0,0,0|2,0,0]=4 15561 B12R1.32 CN(CCCl)Cc1cccnc1 Amb17335729 [0,2,0,0,0,0|2,0,0]=4 15562 B12R1.32 CN(CCCl)Cc1ccncc1 Amb17335730 [0,2,0,0,0,0|2,0,0]=4 15563 B12R1.32 CN(CCN)Cc1ccccc1 Amb5357836 [0,2,0,0,0,0|1,0,0]=3 15564 B12R1.32 CN(CCN)Cc1ccccn1 Amb8956764 [0,2,0,0,0,0|2,0,0]=4 15565 B12R1.32 CN(CCN)Cc1cccnc1 Amb8956763 [0,2,0,0,0,0|2,0,0]=4 15566 B12R1.32 CN(CCN)Cc1ccncc1 Amb8956770 [0,2,0,0,0,0|2,0,0]=4 15567 B12R1.32 CN(CCO)Cc1ccccc1 Amb3938987 [0,2,0,0,0,0|0,0,0]=2 15568 B12R1.32 CN(CCO)Cc1ccccn1 Amb9428674 [0,2,0,0,0,0|1,0,0]=3 15569 B12R1.32 CN(CCO)Cc1cccnc1 Amb9426484 [0,2,0,0,0,0|1,0,0]=3 15570 B12R1.32 CN(CCO)Cc1ccncc1 Amb9256486 [0,2,0,0,0,0|1,0,0]=3 15571 B12R1.32 CN(CCO)Cc1cnccn1 Amb18805619 [0,2,0,0,0,0|2,0,0]=4 15572 B12R1.32 CN(CCS)Cc1ccccc1 Amb13881720 [0,2,0,0,0,0|0,1,0]=3 15573 B12R1.32 CNCC(=O)Cc1ccccc1 Amb32954289 [0,2,0,0,0,0|1,0,1]=4 15574 B12R1.32 CNCC(=O)Cc1ccccc1 Amb8628392 [0,2,0,0,0,0|1,0,1]=4 15575 B12R1.32 CNCC(C)Cc1ccccc1 Amb19023878 [0,2,0,0,0,0|1,0,0]=3 15576 B12R1.32 CNCC(C)Nc1ccccc1 Amb27955315 [0,2,0,0,0,0|2,0,0]=4 15577 B12R1.32 CNCC(N)Cc1ccccc1 Amb19009730 [0,2,0,0,0,0|1,0,0]=3 15578 B12R1.32 CNCC(O)Cc1ccccc1 Amb17193901 [0,2,0,0,0,0|1,0,0]=3 15579 B12R1.32 CNCC(O)Cc1ccccc1 Amb32661172 [0,2,0,0,0,0|1,0,0]=3 15580 B12R1.32 CNCC(O)Cc1cccnc1 Amb17232605 [0,2,0,0,0,0|2,0,0]=4 15581 B12R1.32 COCC(=O)Cc1ccccc1 Amb9665963 [0,2,0,0,0,0|0,0,1]=3 15582 B12R1.32 COCC(=O)Nc1ccccc1 Amb3115714 [0,2,0,0,0,0|1,0,1]=4 15583 B12R1.32 COCC(C)Nc1ccccc1 Amb19024307 [0,2,0,0,0,0|1,0,0]=3 15584 B12R1.32 COCC(C)Nc1cccnc1 Amb19024143 [0,2,0,0,0,0|2,0,0]=4 15585 B12R1.32 COCC(C)Nc1ccncc1 Amb6614428 [0,2,0,0,0,0|2,0,0]=4 15586 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [0,2,0,0,0,0|0,0,0]=2 15587 B12R1.32 COC[C@@H](C)Nc1ccccn1 Amb28398735 [0,2,0,0,0,0|2,0,0]=4 15588 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb3940159 [0,2,0,0,0,0|0,0,0]=2 15589 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb4037107 [0,2,0,0,0,0|0,0,0]=2 15590 B12R1.32 COC[C@H](N)Cc1ccccc1 Amb33871543 [0,2,0,0,0,0|0,0,0]=2 15591 B12R1.32 CONC(=O)Cc1ccccc1 Amb16969924 [0,2,0,0,0,0|1,0,1]=4 15592 B12R1.32 CONC(C)Cc1ccccc1 Amb28984063 [0,2,0,0,0,0|1,0,0]=3 15593 B12R1.32 CO\N=C(\N)Cc1ccccc1 Amb27827154 [0,2,0,0,0,0|1,0,1]=4 15594 B12R1.32 CSCC(=O)Cc1ccccc1 Amb18796330 [0,2,0,0,0,0|0,1,1]=4 15595 B12R1.32 C[C@H](CCO)Nc1cccnn1 Amb27762215 [0,2,0,0,0,0|2,0,0]=4 15596 B12R1.32 C[C@H](Cc1ccccc1)NC=S Amb27209575 [0,2,0,0,0,0|0,1,1]=4 15597 B12R1.32 C\C(=C/c1ccccc1)CCBr Amb18063581 [0,2,0,0,0,0|1,0,1]=4 15598 B12R1.32 C\C(=C/c1ccccc1)CCN Amb18063553 [0,2,0,0,0,0|1,0,1]=4 15599 B12R1.32 C\C(=C/c1ccccc1)CCO Amb27792195 [0,2,0,0,0,0|0,0,1]=3 15600 B12R1.32 C\C(=C/c1ccccc1)CCS Amb33381247 [0,2,0,0,0,0|0,1,1]=4 15601 B12R1.32 C\C(=C/c1ccccc1)CNO Amb33506732 [0,2,0,0,0,0|0,0,2]=4 15602 B12R1.32 C\C(=C/c1ccccc1)CON Amb33476431 [0,2,0,0,0,0|0,0,2]=4 15603 B12R1.32 C\C(=C\CO)Cc1ccccc1 Amb27852825 [0,2,0,0,0,0|0,0,1]=3 15604 B12R1.32 C\C(=C\c1ccccc1)CCBr Amb27445443 [0,2,0,0,0,0|1,0,1]=4 15605 B12R1.32 C\C(=C\c1ccccc1)CCN Amb27843446 [0,2,0,0,0,0|1,0,1]=4 15606 B12R1.32 C\C=C\C(O)Cc1ccccc1 Amb27641998 [0,2,0,0,0,0|1,0,1]=4 15607 B12R1.32 N#CCC(=O)Cc1ccccc1 Amb17232286 [0,2,0,0,0,0|1,0,1]=4 15608 B12R1.32 N#CCC(O)Cc1ccccc1 Amb17232368 [0,2,0,0,0,0|1,0,0]=3 15609 B12R1.32 N#CC[C@@H](N)Cc1ccccc1 Amb27251534 [0,2,0,0,0,0|1,0,0]=3 15610 B12R1.32 NC(CCO)Cc1ccccc1 Amb28872403 [0,2,0,0,0,0|0,0,0]=2 15611 B12R1.32 NC(CCO)Cc1ccccc1 Amb8392175 [0,2,0,0,0,0|0,0,0]=2 15612 B12R1.32 NC(CCO)Cc1ncccn1 Amb32946604 [0,2,0,0,0,0|2,0,0]=4 15613 B12R1.32 NCCC(=O)Cc1ccccc1 Amb32954715 [0,2,0,0,0,0|1,0,0]=3 15614 B12R1.32 NCCC(=O)Nc1ccccc1 Amb1125528 [0,2,0,0,0,0|1,0,1]=4 15615 B12R1.32 NCCC(=O)Nc1ccccc1 Amb15740909 [0,2,0,0,0,0|1,0,1]=4 15616 B12R1.32 NCCC(=O)Oc1ccccc1 Amb17334633 [0,2,0,0,0,0|1,0,1]=4 15617 B12R1.32 NCCC(=S)Nc1ccccc1 Amb27491751 [0,2,0,0,0,0|1,0,1]=4 15618 B12R1.32 NCCC(F)Cc1ccccc1 Amb32954290 [0,2,0,0,0,0|1,0,0]=3 15619 B12R1.32 NCCC(N)Cc1ccccc1 Amb33039576 [0,2,0,0,0,0|1,0,0]=3 15620 B12R1.32 NCCC(O)Cc1ccccc1 Amb17232552 [0,2,0,0,0,0|1,0,0]=3 15621 B12R1.32 NCCC(O)Cc1ccccn1 Amb18827677 [0,2,0,0,0,0|2,0,0]=4 15622 B12R1.32 NCCC(O)Cc1cccnc1 Amb18827678 [0,2,0,0,0,0|2,0,0]=4 15623 B12R1.32 NCCS(=O)Cc1ccccc1 Amb18306046 [0,2,0,0,0,0|1,0,0]=3 15624 B12R1.32 NCC[C@@H](O)Cc1ccccc1 Amb32953160 [0,2,0,0,0,0|1,0,0]=3 15625 B12R1.32 NCC[C@H](O)Cc1ccccc1 Amb32953161 [0,2,0,0,0,0|1,0,0]=3 15626 B12R1.32 NCC\C(Br)=C\c1ccccc1 Amb27770057 [0,2,0,0,0,0|1,0,1]=4 15627 B12R1.32 NCC\C(Cl)=C/c1ccccc1 Amb27881313 [0,2,0,0,0,0|1,0,1]=4 15628 B12R1.32 NCC\C(Cl)=C\c1ccccc1 Amb27843483 [0,2,0,0,0,0|1,0,1]=4 15629 B12R1.32 NOCC(=O)Oc1ccccc1 Amb24096859 [0,2,0,0,0,0|1,0,1]=4 15630 B12R1.32 O=C(CCBr)Nc1ccccc1 Amb16191990 [0,2,0,0,0,0|1,0,1]=4 15631 B12R1.32 O=C(CCCl)Nc1ccccc1 Amb6458951 [0,2,0,0,0,0|1,0,1]=4 15632 B12R1.32 O=C(CCCl)Oc1ccccc1 Amb16230794 [0,2,0,0,0,0|1,0,1]=4 15633 B12R1.32 O=C(CCO)Nc1ccccc1 Amb9421562 [0,2,0,0,0,0|0,0,1]=3 15634 B12R1.32 O=C(CCS)Nc1ccccc1 Amb17305724 [0,2,0,0,0,0|0,1,1]=4 15635 B12R1.32 O=C(Cc1ccccc1)NCO Amb2720941 [0,2,0,0,0,0|0,0,1]=3 15636 B12R1.32 O=S(CCCl)Nc1ccccc1 Amb27607773 [0,2,0,0,0,0|2,0,0]=4 15637 B12R1.32 OCNC(=S)Cc1ccccc1 Amb27438465 [0,2,0,0,0,0|0,0,1]=3 15638 B12R1.32 OC\C=C(\Cl)Cc1ccccc1 Amb27841976 [0,2,0,0,0,0|0,0,1]=3 15639 B12R1.32 [C-]#[N+]CC(C)Oc1ccccc1 Amb28251447 [0,2,0,0,0,0|2,0,0]=4 15640 B12R1.32 [N-]=[N+]=NC(O)Cc1ccccc1 Amb28435130 [0,2,0,0,0,0|2,0,0]=4 15641 B12R1.252 C=C(Br)COCc1ccccc1 Amb25305709 [0,2,0,0,0,0|1,0,1]=4 15642 B12R1.252 C=C(C)CNCc1ccccc1 Amb10608684 [0,2,0,0,0,0|1,0,1]=4 15643 B12R1.252 C=C(C)CNCc1ccccc1 Amb17622487 [0,2,0,0,0,0|1,0,1]=4 15644 B12R1.252 C=C(C)COCc1ccccc1 Amb28062621 [0,2,0,0,0,0|1,0,1]=4 15645 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [0,2,0,0,0,0|0,0,1]=3 15646 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,2,0,0,0,0|1,0,1]=4 15647 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,2,0,0,0,0|1,0,1]=4 15648 B12R1.252 CC(=O)CCNc1ccccc1 Amb26422328 [0,2,0,0,0,0|0,0,2]=4 15649 B12R1.252 CC(=O)CCOc1ccccc1 Amb7777351 [0,2,0,0,0,0|0,0,2]=4 15650 B12R1.252 CC(=O)CCSc1ccccc1 Amb4020770 [0,2,0,0,0,0|0,0,2]=4 15651 B12R1.252 CC(=O)COCc1ccccc1 Amb3433615 [0,2,0,0,0,0|0,0,2]=4 15652 B12R1.252 CC(=O)CSCc1ccccc1 Amb4018341 [0,2,0,0,0,0|0,0,2]=4 15653 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [0,2,0,0,0,0|0,0,2]=4 15654 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [0,2,0,0,0,0|0,0,2]=4 15655 B12R1.252 CC(=S)NCCc1ccccc1 Amb27412033 [0,2,0,0,0,0|0,1,1]=4 15656 B12R1.252 CC(Br)CCCc1ccccc1 Amb32951525 [0,2,0,0,0,0|1,0,0]=3 15657 B12R1.252 CC(Br)CCSc1ccccc1 Amb20623511 [0,2,0,0,0,0|1,0,0]=3 15658 B12R1.252 CC(Br)COCc1ccccc1 Amb27481240 [0,2,0,0,0,0|1,0,0]=3 15659 B12R1.252 CC(Br)C\C=C\c1ccccc1 Amb33080969 [0,2,0,0,0,0|1,0,1]=4 15660 B12R1.252 CC(C)=CCCc1ccccc1 Amb17843373 [0,2,0,0,0,0|1,0,1]=4 15661 B12R1.252 CC(C)CC#Cc1ccccc1 Amb27494575 [0,2,0,0,0,0|1,0,1]=4 15662 B12R1.252 CC(C)CCCc1ccncc1 Amb2613010 [0,2,0,0,0,0|2,0,0]=4 15663 B12R1.252 CC(C)CCNc1ccccc1 Amb4016589 [0,2,0,0,0,0|1,0,0]=3 15664 B12R1.252 CC(C)CCOc1ccccc1 Amb23450363 [0,2,0,0,0,0|1,0,0]=3 15665 B12R1.252 CC(C)CNCc1ccccc1 Amb22586944 [0,2,0,0,0,0|1,0,0]=3 15666 B12R1.252 CC(C)CNCc1ccccc1 Amb6687359 [0,2,0,0,0,0|1,0,0]=3 15667 B12R1.252 CC(C)CNCc1ccccn1 Amb19890497 [0,2,0,0,0,0|2,0,0]=4 15668 B12R1.252 CC(C)CNCc1ccccn1 Amb33527556 [0,2,0,0,0,0|2,0,0]=4 15669 B12R1.252 CC(C)CNCc1ccccn1 Amb6868321 [0,2,0,0,0,0|2,0,0]=4 15670 B12R1.252 CC(C)CNCc1cccnc1 Amb17622318 [0,2,0,0,0,0|2,0,0]=4 15671 B12R1.252 CC(C)CNCc1cccnc1 Amb19890483 [0,2,0,0,0,0|2,0,0]=4 15672 B12R1.252 CC(C)CNCc1cccnc1 Amb838063 [0,2,0,0,0,0|2,0,0]=4 15673 B12R1.252 CC(C)CNCc1ccncc1 Amb19890504 [0,2,0,0,0,0|2,0,0]=4 15674 B12R1.252 CC(C)CNCc1ccncc1 Amb6864737 [0,2,0,0,0,0|2,0,0]=4 15675 B12R1.252 CC(C)CNCc1ccncc1 Amb837894 [0,2,0,0,0,0|2,0,0]=4 15676 B12R1.252 CC(C)NCCc1ccccc1 Amb2111109 [0,2,0,0,0,0|1,0,0]=3 15677 B12R1.252 CC(C)NCCc1ccccc1 Amb6246148 [0,2,0,0,0,0|1,0,0]=3 15678 B12R1.252 CC(C)NCCc1ccccn1 Amb6694449 [0,2,0,0,0,0|2,0,0]=4 15679 B12R1.252 CC(C)NCCc1cccnc1 Amb17400162 [0,2,0,0,0,0|2,0,0]=4 15680 B12R1.252 CC(C)NCCc1ccncc1 Amb24117837 [0,2,0,0,0,0|2,0,0]=4 15681 B12R1.252 CC(C)NCCc1ccncc1 Amb2592522 [0,2,0,0,0,0|2,0,0]=4 15682 B12R1.252 CC(C)OCCc1ccccn1 Amb10573511 [0,2,0,0,0,0|2,0,0]=4 15683 B12R1.252 CC(Cl)CCNc1ccncc1 Amb27625006 [0,2,0,0,0,0|2,0,0]=4 15684 B12R1.252 CC(Cl)CNCc1ccccc1 Amb27656927 [0,2,0,0,0,0|1,0,0]=3 15685 B12R1.252 CC(Cl)\C=N\Cc1ccccc1 Amb27178153 [0,2,0,0,0,0|1,0,1]=4 15686 B12R1.252 CC(F)CCCc1ccccc1 Amb22229780 [0,2,0,0,0,0|1,0,0]=3 15687 B12R1.252 CC(N)CC#Cc1ccccc1 Amb25081198 [0,2,0,0,0,0|1,0,1]=4 15688 B12R1.252 CC(N)CCCc1ccccc1 Amb2721865 [0,2,0,0,0,0|1,0,0]=3 15689 B12R1.252 CC(N)CCCc1cccnc1 Amb17232504 [0,2,0,0,0,0|2,0,0]=4 15690 B12R1.252 CC(N)CCNc1ccccc1 Amb19009675 [0,2,0,0,0,0|1,0,0]=3 15691 B12R1.252 CC(N)CCNc1ccccn1 Amb27599643 [0,2,0,0,0,0|2,0,0]=4 15692 B12R1.252 CC(N)CCOc1ccccc1 Amb7772215 [0,2,0,0,0,0|1,0,0]=3 15693 B12R1.252 CC(N)CCSc1ccccc1 Amb13881552 [0,2,0,0,0,0|1,0,0]=3 15694 B12R1.252 CC(N)COCc1ccccc1 Amb1124568 [0,2,0,0,0,0|1,0,0]=3 15695 B12R1.252 CC(N)CSCc1ccccc1 Amb18648554 [0,2,0,0,0,0|1,0,0]=3 15696 B12R1.252 CC(N)C\C=C\c1ccccc1 Amb25970039 [0,2,0,0,0,0|1,0,1]=4 15697 B12R1.252 CC(N)\C=C\Cc1ccccc1 Amb32953143 [0,2,0,0,0,0|1,0,1]=4 15698 B12R1.252 CC(O)C#CCc1ccccc1 Amb28350208 [0,2,0,0,0,0|0,0,1]=3 15699 B12R1.252 CC(O)C#CSc1ccccc1 Amb27753084 [0,2,0,0,0,0|0,0,2]=4 15700 B12R1.252 CC(O)CC#Cc1cccnc1 Amb24464546 [0,2,0,0,0,0|1,0,1]=4 15701 B12R1.252 CC(O)CCCc1ccccc1 Amb17138575 [0,2,0,0,0,0|0,0,0]=2 15702 B12R1.252 CC(O)CCCc1cccnc1 Amb22292250 [0,2,0,0,0,0|1,0,0]=3 15703 B12R1.252 CC(O)CCNc1ccncc1 Amb27175757 [0,2,0,0,0,0|1,0,0]=3 15704 B12R1.252 CC(O)CCNc1cnccn1 Amb27865132 [0,2,0,0,0,0|2,0,0]=4 15705 B12R1.252 CC(O)CCOc1ccccc1 Amb6298179 [0,2,0,0,0,0|0,0,0]=2 15706 B12R1.252 CC(O)CNCc1ccccc1 Amb837676 [0,2,0,0,0,0|0,0,0]=2 15707 B12R1.252 CC(O)CNCc1ccccn1 Amb5262446 [0,2,0,0,0,0|1,0,0]=3 15708 B12R1.252 CC(O)CNCc1cccnc1 Amb837686 [0,2,0,0,0,0|1,0,0]=3 15709 B12R1.252 CC(O)CNCc1ccncc1 Amb837763 [0,2,0,0,0,0|1,0,0]=3 15710 B12R1.252 CC(O)CNCc1cnccn1 Amb19030083 [0,2,0,0,0,0|2,0,0]=4 15711 B12R1.252 CC(O)COCc1ccccc1 Amb4020574 [0,2,0,0,0,0|0,0,0]=2 15712 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb32954303 [0,2,0,0,0,0|0,0,1]=3 15713 B12R1.252 CC(O)C\C=N\c1ccccc1 Amb27948769 [0,2,0,0,0,0|0,0,1]=3 15714 B12R1.252 CC(O)C\N=C\c1cccnc1 Amb27981740 [0,2,0,0,0,0|1,0,1]=4 15715 B12R1.252 CC(O)\C=C\Sc1ccccc1 Amb28294251 [0,2,0,0,0,0|0,0,2]=4 15716 B12R1.252 CC(S)COCc1ccccc1 Amb32788346 [0,2,0,0,0,0|0,1,0]=3 15717 B12R1.252 CN(C)CCCc1ccccc1 Amb1085936 [0,2,0,0,0,0|1,0,0]=3 15718 B12R1.252 CN(C)CCNc1ccccc1 Amb6477740 [0,2,0,0,0,0|2,0,0]=4 15719 B12R1.252 CN(C)CCOc1ccccc1 Amb2876295 [0,2,0,0,0,0|2,0,0]=4 15720 B12R1.252 CN(N)CCOc1ccccc1 Amb18563757 [0,2,0,0,0,0|2,0,0]=4 15721 B12R1.252 CN(O)CCCc1ccccc1 Amb32951844 [0,2,0,0,0,0|0,0,0]=2 15722 B12R1.252 CN(O)C\C=C\c1ccccc1 Amb33081135 [0,2,0,0,0,0|0,0,2]=4 15723 B12R1.252 C[C@@H](N)CCCc1ccccc1 Amb33081452 [0,2,0,0,0,0|1,0,0]=3 15724 B12R1.252 C[C@@H](N)CCCc1cccnc1 Amb22388607 [0,2,0,0,0,0|2,0,0]=4 15725 B12R1.252 C[C@@H](N)CCOc1ccccc1 Amb33081226 [0,2,0,0,0,0|1,0,0]=3 15726 B12R1.252 C[C@@H](N)COCc1ccccc1 Amb18529657 [0,2,0,0,0,0|1,0,0]=3 15727 B12R1.252 C[C@@H](N)C\C=C\c1ccccc1 Amb33080763 [0,2,0,0,0,0|1,0,1]=4 15728 B12R1.252 C[C@@H](O)CCCc1ccccc1 Amb33082320 [0,2,0,0,0,0|0,0,0]=2 15729 B12R1.252 C[C@@H](O)CCNc1cnccn1 Amb28436064 [0,2,0,0,0,0|2,0,0]=4 15730 B12R1.252 C[C@@H](O)CCOc1ccccc1 Amb32951805 [0,2,0,0,0,0|0,0,0]=2 15731 B12R1.252 C[C@@H](O)COCc1ccccc1 Amb22169747 [0,2,0,0,0,0|0,0,0]=2 15732 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb32954522 [0,2,0,0,0,0|0,0,1]=3 15733 B12R1.252 C[C@H](N)CCCc1ccccc1 Amb32954284 [0,2,0,0,0,0|1,0,0]=3 15734 B12R1.252 C[C@H](N)CCOc1ccccc1 Amb32954086 [0,2,0,0,0,0|1,0,0]=3 15735 B12R1.252 C[C@H](N)COCc1ccccc1 Amb17061656 [0,2,0,0,0,0|1,0,0]=3 15736 B12R1.252 C[C@H](N)C\C=C\c1ccccc1 Amb33080767 [0,2,0,0,0,0|1,0,1]=4 15737 B12R1.252 C[C@H](O)CCCc1ccccc1 Amb32954841 [0,2,0,0,0,0|0,0,0]=2 15738 B12R1.252 C[C@H](O)CCOc1ccccc1 Amb32952875 [0,2,0,0,0,0|0,0,0]=2 15739 B12R1.252 C[C@H](O)CNCc1ccccc1 Amb27862492 [0,2,0,0,0,0|0,0,0]=2 15740 B12R1.252 C[C@H](O)COCc1ccccc1 Amb22044890 [0,2,0,0,0,0|0,0,0]=2 15741 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb32954836 [0,2,0,0,0,0|0,0,1]=3 15742 B12R1.252 ClC(Cl)=CCCc1ccccc1 Amb27443084 [0,2,0,0,0,0|1,0,1]=4 15743 B12R1.252 FB(F)COCc1ccccc1 Amb27843535 [0,2,0,0,0,0|2,0,0]=4 15744 B12R1.252 FC(Cl)CNCc1ccccc1 Amb27407058 [0,2,0,0,0,0|1,0,0]=3 15745 B12R1.252 FC(F)CCNc1ccncc1 Amb27591230 [0,2,0,0,0,0|2,0,0]=4 15746 B12R1.252 FC(F)CNCc1ccccc1 Amb16229911 [0,2,0,0,0,0|1,0,0]=3 15747 B12R1.252 FC(F)CNCc1cccnc1 Amb18794307 [0,2,0,0,0,0|2,0,0]=4 15748 B12R1.252 N=C(N)CCCc1ccccc1 Amb6276737 [0,2,0,0,0,0|1,0,0]=3 15749 B12R1.252 N=C(N)CCCc1ccccn1 Amb21618753 [0,2,0,0,0,0|2,0,0]=4 15750 B12R1.252 N=C(N)CCCc1cccnc1 Amb24062322 [0,2,0,0,0,0|2,0,0]=4 15751 B12R1.252 N=C(N)CCOc1ccccc1 Amb6279642 [0,2,0,0,0,0|1,0,1]=4 15752 B12R1.252 N=C(N)COCc1ccccc1 Amb6266963 [0,2,0,0,0,0|1,0,1]=4 15753 B12R1.252 N=C(N)COCc1ccccc1 Amb8630424 [0,2,0,0,0,0|1,0,1]=4 15754 B12R1.252 N=C(N)CSCc1ccccc1 Amb28555674 [0,2,0,0,0,0|1,0,1]=4 15755 B12R1.252 N=C(N)CSCc1ccccc1 Amb6678181 [0,2,0,0,0,0|1,0,1]=4 15756 B12R1.252 N=C(N)NCCc1ccccc1 Amb22736089 [0,2,0,0,0,0|1,0,1]=4 15757 B12R1.252 N=C(N)NCCc1ccccc1 Amb22736599 [0,2,0,0,0,0|1,0,1]=4 15758 B12R1.252 N=C(N)NCCc1ccccc1 Amb28974714 [0,2,0,0,0,0|1,0,1]=4 15759 B12R1.252 N=C(N)NCCc1ccccc1 Amb6761287 [0,2,0,0,0,0|1,0,1]=4 15760 B12R1.252 N=C(N)NCCc1ccccc1 Amb838720 [0,2,0,0,0,0|1,0,1]=4 15761 B12R1.252 N=C(N)SCCc1ccccc1 Amb20675983 [0,2,0,0,0,0|1,0,1]=4 15762 B12R1.252 NC(=O)CCCc1ccccc1 Amb3886649 [0,2,0,0,0,0|0,0,1]=3 15763 B12R1.252 NC(=O)CCNc1ccccc1 Amb453169 [0,2,0,0,0,0|0,0,2]=4 15764 B12R1.252 NC(=O)CCOc1ccccc1 Amb8997689 [0,2,0,0,0,0|0,0,2]=4 15765 B12R1.252 NC(=O)CCSc1ccccc1 Amb3836115 [0,2,0,0,0,0|0,0,2]=4 15766 B12R1.252 NC(=O)CNCc1ccccc1 Amb2696395 [0,2,0,0,0,0|0,0,2]=4 15767 B12R1.252 NC(=O)COCc1ccccc1 Amb8858432 [0,2,0,0,0,0|0,0,2]=4 15768 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [0,2,0,0,0,0|0,0,2]=4 15769 B12R1.252 NC(=S)CCCc1ccccc1 Amb6244938 [0,2,0,0,0,0|0,1,0]=3 15770 B12R1.252 NC(=S)CCOc1ccccc1 Amb5542247 [0,2,0,0,0,0|0,1,1]=4 15771 B12R1.252 NC(=S)CCSc1ccccc1 Amb17307558 [0,2,0,0,0,0|0,1,1]=4 15772 B12R1.252 NC(=S)COCc1ccccc1 Amb6276568 [0,2,0,0,0,0|0,1,1]=4 15773 B12R1.252 NC(=S)NCCc1ccccc1 Amb1647056 [0,2,0,0,0,0|0,1,1]=4 15774 B12R1.252 O=C(Cl)CCCc1ccccc1 Amb2792925 [0,2,0,0,0,0|0,0,1]=3 15775 B12R1.252 O=C(Cl)CCOc1ccccc1 Amb33528394 [0,2,0,0,0,0|0,0,2]=4 15776 B12R1.252 O=C(Cl)CCSc1ccccc1 Amb10064363 [0,2,0,0,0,0|0,0,2]=4 15777 B12R1.252 O=C(Cl)COCc1ccccc1 Amb3939158 [0,2,0,0,0,0|0,0,2]=4 15778 B12R1.252 O=C(Cl)CSCc1ccccc1 Amb10880013 [0,2,0,0,0,0|0,0,2]=4 15779 B12R1.252 O=C(Cl)OCCc1ccccc1 Amb32661047 [0,2,0,0,0,0|0,0,2]=4 15780 B12R1.252 O=C(O)CC#Cc1ccccc1 Amb18296382 [0,2,0,0,0,0|0,0,2]=4 15781 B12R1.252 O=C(O)CCCC1=CCC=CC1 Amb6295892 [0,2,0,0,0,0|0,0,2]=4 15782 B12R1.252 O=C(O)CCCc1ccccc1 Amb2388283 [0,2,0,0,0,0|0,0,0]=2 15783 B12R1.252 O=C(O)CCCc1ccccn1 Amb1099328 [0,2,0,0,0,0|1,0,0]=3 15784 B12R1.252 O=C(O)CCCc1ccccn1 Amb19356883 [0,2,0,0,0,0|1,0,0]=3 15785 B12R1.252 O=C(O)CCCc1cccnc1 Amb17232526 [0,2,0,0,0,0|1,0,0]=3 15786 B12R1.252 O=C(O)CCCc1cccnc1 Amb33529414 [0,2,0,0,0,0|1,0,0]=3 15787 B12R1.252 O=C(O)CCCc1cccnc1 Amb33541549 [0,2,0,0,0,0|1,0,0]=3 15788 B12R1.252 O=C(O)CCCc1ccncc1 Amb1099336 [0,2,0,0,0,0|1,0,0]=3 15789 B12R1.252 O=C(O)CCCc1ccncc1 Amb19929548 [0,2,0,0,0,0|1,0,0]=3 15790 B12R1.252 O=C(O)CCCc1ccncn1 Amb33172094 [0,2,0,0,0,0|2,0,0]=4 15791 B12R1.252 O=C(O)CCCc1cncnc1 Amb18827885 [0,2,0,0,0,0|2,0,0]=4 15792 B12R1.252 O=C(O)CCCc1ncccn1 Amb18862661 [0,2,0,0,0,0|2,0,0]=4 15793 B12R1.252 O=C(O)CCNc1ccccc1 Amb1207377 [0,2,0,0,0,0|0,0,1]=3 15794 B12R1.252 O=C(O)CCNc1ccccn1 Amb10609119 [0,2,0,0,0,0|1,0,1]=4 15795 B12R1.252 O=C(O)CCNc1ccccn1 Amb6258091 [0,2,0,0,0,0|1,0,1]=4 15796 B12R1.252 O=C(O)CCNc1cccnc1 Amb18269696 [0,2,0,0,0,0|1,0,1]=4 15797 B12R1.252 O=C(O)CCNc1ccncc1 Amb33456130 [0,2,0,0,0,0|1,0,1]=4 15798 B12R1.252 O=C(O)CCNc1ccncc1 Amb6280380 [0,2,0,0,0,0|1,0,1]=4 15799 B12R1.252 O=C(O)CCOc1ccccc1 Amb1206804 [0,2,0,0,0,0|0,0,1]=3 15800 B12R1.252 O=C(O)CCOc1cccnc1 Amb33527345 [0,2,0,0,0,0|1,0,1]=4 15801 B12R1.252 O=C(O)CCSc1ccccc1 Amb1036581 [0,2,0,0,0,0|0,0,1]=3 15802 B12R1.252 O=C(O)CCSc1ccccn1 Amb1133894 [0,2,0,0,0,0|1,0,1]=4 15803 B12R1.252 O=C(O)CNCc1ccccc1 Amb2720113 [0,2,0,0,0,0|0,0,1]=3 15804 B12R1.252 O=C(O)CNCc1ccccc1 Amb6357824 [0,2,0,0,0,0|0,0,1]=3 15805 B12R1.252 O=C(O)CNCc1ccccn1 Amb1111426 [0,2,0,0,0,0|1,0,1]=4 15806 B12R1.252 O=C(O)CNCc1ccccn1 Amb13951702 [0,2,0,0,0,0|1,0,1]=4 15807 B12R1.252 O=C(O)CNCc1cccnc1 Amb1111197 [0,2,0,0,0,0|1,0,1]=4 15808 B12R1.252 O=C(O)CNCc1cccnc1 Amb6893093 [0,2,0,0,0,0|1,0,1]=4 15809 B12R1.252 O=C(O)CNCc1ccncc1 Amb1110916 [0,2,0,0,0,0|1,0,1]=4 15810 B12R1.252 O=C(O)CNCc1ccncc1 Amb32729434 [0,2,0,0,0,0|1,0,1]=4 15811 B12R1.252 O=C(O)COCc1ccccc1 Amb3939856 [0,2,0,0,0,0|0,0,1]=3 15812 B12R1.252 O=C(O)COCc1ccccn1 Amb32680346 [0,2,0,0,0,0|1,0,1]=4 15813 B12R1.252 O=C(O)COCc1ccccn1 Amb33548165 [0,2,0,0,0,0|1,0,1]=4 15814 B12R1.252 O=C(O)COCc1cccnc1 Amb28653073 [0,2,0,0,0,0|1,0,1]=4 15815 B12R1.252 O=C(O)COCc1ccncc1 Amb13883046 [0,2,0,0,0,0|1,0,1]=4 15816 B12R1.252 O=C(O)COCc1ccncc1 Amb8010071 [0,2,0,0,0,0|1,0,1]=4 15817 B12R1.252 O=C(O)CSCc1ccccc1 Amb6357378 [0,2,0,0,0,0|0,0,1]=3 15818 B12R1.252 O=C(O)CSCc1ccccn1 Amb1126746 [0,2,0,0,0,0|1,0,1]=4 15819 B12R1.252 O=C(O)CSCc1cccnc1 Amb1129471 [0,2,0,0,0,0|1,0,1]=4 15820 B12R1.252 O=C(O)CSCc1ccncc1 Amb1134758 [0,2,0,0,0,0|1,0,1]=4 15821 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb24113880 [0,2,0,0,0,0|0,0,1]=3 15822 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb6366026 [0,2,0,0,0,0|0,0,1]=3 15823 B12R1.252 O=C(O)C\C=C\c1ccccc1 Amb6280352 [0,2,0,0,0,0|0,0,2]=4 15824 B12R1.252 O=C(O)C\N=N\c1ccccc1 Amb27863405 [0,2,0,0,0,0|1,0,1]=4 15825 B12R1.252 O=C(O)\C=C\Cc1ccccc1 Amb8392409 [0,2,0,0,0,0|0,0,2]=4 15826 B12R1.252 O=C([O-])CCCc1ccccc1 Amb15690987 [0,2,0,0,0,0|0,0,1]=3 15827 B12R1.252 O=C([O-])CC[NH2+]c1ccccc1 Amb22499683 [0,2,0,0,0,0|0,0,2]=4 15828 B12R1.252 O=S([O-])CCCc1ccccc1 Amb32755679 [0,2,0,0,0,0|0,0,1]=3 15829 B12R1.252 O=S([O-])CCOc1ccccc1 Amb32755206 [0,2,0,0,0,0|1,0,1]=4 15830 B12R1.252 O=[PH](O)CNCc1ccccc1 Amb28383469 [0,2,0,0,0,0|1,0,0]=3 15831 B12R1.252 OB(O)C\C=C\c1ccccc1 Amb26916741 [0,2,0,0,0,0|0,0,2]=4 15832 B12R1.252 OB(O)\C=C\Cc1ccccc1 Amb21856558 [0,2,0,0,0,0|0,0,2]=4 15833 B12R1.43 C=C(C)C(N)Cc1ccccc1 Amb28056790 [0,2,0,0,0,0|1,0,1]=4 15834 B12R1.43 C=C(C)[C@@H](N)Cc1ccccc1 Amb28250037 [0,2,0,0,0,0|1,0,1]=4 15835 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [0,2,0,0,0,0|0,0,2]=4 15836 B12R1.43 C=C(Cc1ccccc1)C(C)N Amb28315103 [0,2,0,0,0,0|1,0,1]=4 15837 B12R1.43 C=C(Sc1ccccc1)C(C)O Amb27764800 [0,2,0,0,0,0|1,0,1]=4 15838 B12R1.43 CC(=O)C(Br)Cc1ccccc1 Amb17507835 [0,2,0,0,0,0|0,0,2]=4 15839 B12R1.43 CC(=O)C(C)Cc1ccccc1 Amb17232407 [0,2,0,0,0,0|0,0,2]=4 15840 B12R1.43 CC(=O)C(Cl)Cc1ccccc1 Amb17204329 [0,2,0,0,0,0|0,0,2]=4 15841 B12R1.43 CC(=O)C(F)Cc1ccccc1 Amb27453671 [0,2,0,0,0,0|0,0,2]=4 15842 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb1099237 [0,2,0,0,0,0|0,0,2]=4 15843 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb2600540 [0,2,0,0,0,0|0,0,2]=4 15844 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [0,2,0,0,0,0|0,0,2]=4 15845 B12R1.43 CC(=O)[C@@H](N)Cc1ccccc1 Amb27874005 [0,2,0,0,0,0|0,0,2]=4 15846 B12R1.43 CC(=O)[C@H](N)Cc1ccccc1 Amb35588699 [0,2,0,0,0,0|0,0,2]=4 15847 B12R1.43 CC(C)C(=O)Cc1ccccc1 Amb6357767 [0,2,0,0,0,0|1,0,1]=4 15848 B12R1.43 CC(C)C(C)Nc1ccccc1 Amb6685131 [0,2,0,0,0,0|2,0,0]=4 15849 B12R1.43 CC(C)C(Cl)Cc1cccnc1 Amb28194357 [0,2,0,0,0,0|2,0,0]=4 15850 B12R1.43 CC(C)C(N)Cc1ccccc1 Amb17138565 [0,2,0,0,0,0|1,0,0]=3 15851 B12R1.43 CC(C)C(N)Cc1ccncc1 Amb18299313 [0,2,0,0,0,0|2,0,0]=4 15852 B12R1.43 CC(C)C(O)Cc1ccccc1 Amb17138584 [0,2,0,0,0,0|1,0,0]=3 15853 B12R1.43 CC(C)C(O)Cc1ccncc1 Amb18800936 [0,2,0,0,0,0|2,0,0]=4 15854 B12R1.43 CC(C)[C@@H](N)Cc1ccccc1 Amb27858881 [0,2,0,0,0,0|1,0,0]=3 15855 B12R1.43 CC(C)[C@@H](O)Cc1ccccc1 Amb28244375 [0,2,0,0,0,0|1,0,0]=3 15856 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 Amb27482555 [0,2,0,0,0,0|2,0,0]=4 15857 B12R1.43 CC(C)[C@H](N)Cc1ccccc1 Amb28127185 [0,2,0,0,0,0|1,0,0]=3 15858 B12R1.43 CC(Cc1ccccc1)C(=O)Cl Amb5744098 [0,2,0,0,0,0|0,0,2]=4 15859 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [0,2,0,0,0,0|0,0,1]=3 15860 B12R1.43 CC(Cc1ccccc1)C(N)=O Amb2701804 [0,2,0,0,0,0|0,0,2]=4 15861 B12R1.43 CC(Cc1ccccc1)[N+](=O)[O-] Amb17689219 [0,2,0,0,0,0|1,0,1]=4 15862 B12R1.43 CC(Cc1ccccn1)C(=O)O Amb5744008 [0,2,0,0,0,0|1,0,1]=4 15863 B12R1.43 CC(Cc1cccnc1)C(=O)O Amb5744009 [0,2,0,0,0,0|1,0,1]=4 15864 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb33743550 [0,2,0,0,0,0|1,0,1]=4 15865 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb5744010 [0,2,0,0,0,0|1,0,1]=4 15866 B12R1.43 CC(Cl)C(=O)Cc1ccccc1 Amb10609316 [0,2,0,0,0,0|1,0,1]=4 15867 B12R1.43 CC(Cl)C(Cl)Cc1ccccc1 Amb27947452 [0,2,0,0,0,0|1,0,0]=3 15868 B12R1.43 CC(Cl)C(Cl)Oc1ccccc1 Amb27882846 [0,2,0,0,0,0|2,0,0]=4 15869 B12R1.43 CC(F)C(N)Cc1ccccc1 Amb27489717 [0,2,0,0,0,0|1,0,0]=3 15870 B12R1.43 CC(N)C(=O)Cc1ccccc1 Amb18829240 [0,2,0,0,0,0|1,0,1]=4 15871 B12R1.43 CC(N)C(=O)Cc1ccccc1 Amb28653053 [0,2,0,0,0,0|1,0,1]=4 15872 B12R1.43 CC(N)C(C)Cc1cccnc1 Amb27436524 [0,2,0,0,0,0|2,0,0]=4 15873 B12R1.43 CC(N)C(C)Cc1ccncc1 Amb18828714 [0,2,0,0,0,0|2,0,0]=4 15874 B12R1.43 CC(N)C(C)Nc1ccccc1 Amb18646160 [0,2,0,0,0,0|2,0,0]=4 15875 B12R1.43 CC(N)C(C)Oc1ccccc1 Amb18291409 [0,2,0,0,0,0|2,0,0]=4 15876 B12R1.43 CC(N)C(C)Sc1ccccc1 Amb18648553 [0,2,0,0,0,0|2,0,0]=4 15877 B12R1.43 CC(N)C(N)Cc1ccccc1 Amb28325649 [0,2,0,0,0,0|1,0,0]=3 15878 B12R1.43 CC(N)C(O)Cc1ccccc1 Amb18828237 [0,2,0,0,0,0|1,0,0]=3 15879 B12R1.43 CC(N)C(O)Cc1ccccc1 Amb30584971 [0,2,0,0,0,0|1,0,0]=3 15880 B12R1.43 CC(N)C(O)Cc1ccccn1 Amb18827665 [0,2,0,0,0,0|2,0,0]=4 15881 B12R1.43 CC(N)C(O)Cc1cccnc1 Amb18827666 [0,2,0,0,0,0|2,0,0]=4 15882 B12R1.43 CC(N)C(O)Cc1ccncc1 Amb18827650 [0,2,0,0,0,0|2,0,0]=4 15883 B12R1.43 CC(Nc1ccccc1)C(=O)O Amb1213440 [0,2,0,0,0,0|1,0,1]=4 15884 B12R1.43 CC(Nc1ccccc1)C(F)F Amb27615367 [0,2,0,0,0,0|2,0,0]=4 15885 B12R1.43 CC(O)C(=O)Cc1ccccc1 Amb24487306 [0,2,0,0,0,0|0,0,1]=3 15886 B12R1.43 CC(O)C(=O)Cc1ccncc1 Amb28313084 [0,2,0,0,0,0|1,0,1]=4 15887 B12R1.43 CC(O)C(=O)Nc1ccccc1 Amb1230509 [0,2,0,0,0,0|1,0,1]=4 15888 B12R1.43 CC(O)C(=O)Sc1ccccc1 Amb27594805 [0,2,0,0,0,0|1,0,1]=4 15889 B12R1.43 CC(O)C(C)Cc1ccccc1 Amb17232485 [0,2,0,0,0,0|0,0,0]=2 15890 B12R1.43 CC(O)C(C)Cc1ccccn1 Amb24341829 [0,2,0,0,0,0|1,0,0]=3 15891 B12R1.43 CC(O)C(C)Cc1cccnc1 Amb27630237 [0,2,0,0,0,0|1,0,0]=3 15892 B12R1.43 CC(O)C(C)Cc1ccncc1 Amb25710238 [0,2,0,0,0,0|1,0,0]=3 15893 B12R1.43 CC(O)C(C)Cc1cnccn1 Amb30007698 [0,2,0,0,0,0|2,0,0]=4 15894 B12R1.43 CC(O)C(C)Oc1ccccc1 Amb18801039 [0,2,0,0,0,0|1,0,0]=3 15895 B12R1.43 CC(O)C(C)Sc1ccccc1 Amb27165940 [0,2,0,0,0,0|1,0,0]=3 15896 B12R1.43 CC(O)C(C)Sc1ccccn1 Amb27194272 [0,2,0,0,0,0|2,0,0]=4 15897 B12R1.43 CC(O)C(N)Cc1ccccc1 Amb18646379 [0,2,0,0,0,0|0,0,0]=2 15898 B12R1.43 CC(O)C(N)Cc1ccccc1 Amb32661717 [0,2,0,0,0,0|0,0,0]=2 15899 B12R1.43 CC(O)C(O)Cc1ccccn1 Amb28281194 [0,2,0,0,0,0|1,0,0]=3 15900 B12R1.43 CC(O)[C@@H](C)Cc1cccnc1 Amb28455142 [0,2,0,0,0,0|1,0,0]=3 15901 B12R1.43 CC(O)[C@H](C)Cc1ccccc1 Amb27761643 [0,2,0,0,0,0|0,0,0]=2 15902 B12R1.43 CC(Oc1ccccc1)C(=O)O Amb9702438 [0,2,0,0,0,0|1,0,1]=4 15903 B12R1.43 CC(Oc1ccccc1)[C@@H](C)N Amb27177950 [0,2,0,0,0,0|2,0,0]=4 15904 B12R1.43 CC(Oc1ccccc1)[C@@H](C)O Amb27238389 [0,2,0,0,0,0|1,0,0]=3 15905 B12R1.43 CC(Oc1ccccc1)[C@H](C)O Amb27876377 [0,2,0,0,0,0|1,0,0]=3 15906 B12R1.43 CC(Sc1ccccc1)C(=O)O Amb9745732 [0,2,0,0,0,0|1,0,1]=4 15907 B12R1.43 CN(O)C(=O)Cc1ccccc1 Amb27622562 [0,2,0,0,0,0|1,0,1]=4 15908 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [0,2,0,0,0,0|0,0,1]=3 15909 B12R1.43 C[C@@H](Cc1ccccc1)N(C)C Amb22747859 [0,2,0,0,0,0|2,0,0]=4 15910 B12R1.43 C[C@@H](Cc1ccccn1)C(=O)O Amb10843999 [0,2,0,0,0,0|1,0,1]=4 15911 B12R1.43 C[C@@H](Cc1cccnc1)C(=O)O Amb10844005 [0,2,0,0,0,0|1,0,1]=4 15912 B12R1.43 C[C@@H](Cc1ccncc1)C(=O)O Amb10844007 [0,2,0,0,0,0|1,0,1]=4 15913 B12R1.43 C[C@@H](Cl)[C@@H](C)Sc1ccccc1 Amb27947490 [0,2,0,0,0,0|2,0,0]=4 15914 B12R1.43 C[C@@H](N)C(=O)Cc1ccccc1 Amb35618020 [0,2,0,0,0,0|1,0,1]=4 15915 B12R1.43 C[C@@H](N)C(O)Cc1ccccc1 Amb35618099 [0,2,0,0,0,0|1,0,0]=3 15916 B12R1.43 C[C@@H](N)C(O)Cc1ccccn1 Amb30024569 [0,2,0,0,0,0|2,0,0]=4 15917 B12R1.43 C[C@@H](N)C(O)Cc1cccnc1 Amb35738290 [0,2,0,0,0,0|2,0,0]=4 15918 B12R1.43 C[C@@H](N)C(O)Cc1ccncc1 Amb35738418 [0,2,0,0,0,0|2,0,0]=4 15919 B12R1.43 C[C@@H](N)[C@@H](C)Nc1ccccc1 Amb27394625 [0,2,0,0,0,0|2,0,0]=4 15920 B12R1.43 C[C@@H](Nc1ccccc1)C(=O)O Amb22801823 [0,2,0,0,0,0|1,0,1]=4 15921 B12R1.43 C[C@@H](O)[C@H](O)Cc1ccccc1 Amb28401092 [0,2,0,0,0,0|0,0,0]=2 15922 B12R1.43 C[C@@H](Oc1ccccc1)C(=O)O Amb22736710 [0,2,0,0,0,0|1,0,1]=4 15923 B12R1.43 C[C@@H](Sc1ccccc1)C(=O)O Amb27425234 [0,2,0,0,0,0|1,0,1]=4 15924 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [0,2,0,0,0,0|0,0,1]=3 15925 B12R1.43 C[C@H](Cc1ccccc1)C(N)=O Amb28319376 [0,2,0,0,0,0|0,0,2]=4 15926 B12R1.43 C[C@H](Cc1ccccn1)C(=O)O Amb10843998 [0,2,0,0,0,0|1,0,1]=4 15927 B12R1.43 C[C@H](Cc1cccnc1)C(=O)O Amb10844004 [0,2,0,0,0,0|1,0,1]=4 15928 B12R1.43 C[C@H](Cc1ccncc1)C(=O)O Amb10844006 [0,2,0,0,0,0|1,0,1]=4 15929 B12R1.43 C[C@H](Cl)C(=O)Cc1ccccc1 Amb27865521 [0,2,0,0,0,0|1,0,1]=4 15930 B12R1.43 C[C@H](Cl)[C@@H](Cl)Oc1ccccc1 Amb28398482 [0,2,0,0,0,0|2,0,0]=4 15931 B12R1.43 C[C@H](N)C(O)Cc1ccccc1 Amb35738417 [0,2,0,0,0,0|1,0,0]=3 15932 B12R1.43 C[C@H](N)C(O)Cc1ccccn1 Amb35737801 [0,2,0,0,0,0|2,0,0]=4 15933 B12R1.43 C[C@H](N)C(O)Cc1cccnc1 Amb35624441 [0,2,0,0,0,0|2,0,0]=4 15934 B12R1.43 C[C@H](N)C(O)Cc1ccncc1 Amb35618076 [0,2,0,0,0,0|2,0,0]=4 15935 B12R1.43 C[C@H](Nc1ccccc1)C(=O)O Amb24434019 [0,2,0,0,0,0|1,0,1]=4 15936 B12R1.43 C[C@H](Nc1ccccc1)[C@@H](C)O Amb27225799 [0,2,0,0,0,0|1,0,0]=3 15937 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 Amb27244706 [0,2,0,0,0,0|1,0,1]=4 15938 B12R1.43 C[C@H](O)[C@@H](C)Cc1ccccc1 Amb27207474 [0,2,0,0,0,0|0,0,0]=2 15939 B12R1.43 C[C@H](Oc1ccccc1)C(=O)O Amb22736711 [0,2,0,0,0,0|1,0,1]=4 15940 B12R1.43 C\C(=C/c1ccccc1)C(C)O Amb27762014 [0,2,0,0,0,0|0,0,2]=4 15941 B12R1.43 C\C(=C/c1ccccc1)[C@@H](C)O Amb32952077 [0,2,0,0,0,0|0,0,2]=4 15942 B12R1.43 C\C(=C/c1ccccc1)[C@H](C)O Amb27589732 [0,2,0,0,0,0|0,0,2]=4 15943 B12R1.43 N=C(N)C(N)Cc1ccccc1 Amb27813157 [0,2,0,0,0,0|1,0,1]=4 15944 B12R1.43 N=C(N)C(O)Cc1ccccc1 Amb28137730 [0,2,0,0,0,0|1,0,1]=4 15945 B12R1.43 NC(=O)C(Br)Cc1ccccc1 Amb23533327 [0,2,0,0,0,0|0,0,2]=4 15946 B12R1.43 NC(=O)C(Cl)Cc1ccccc1 Amb17204334 [0,2,0,0,0,0|0,0,2]=4 15947 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb20240621 [0,2,0,0,0,0|0,0,2]=4 15948 B12R1.43 NC(=O)C(N)Cc1ccccc1 Amb9727200 [0,2,0,0,0,0|0,0,2]=4 15949 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [0,2,0,0,0,0|0,0,2]=4 15950 B12R1.43 NC(=O)C(S)Cc1ccccc1 Amb27663190 [0,2,0,0,0,0|0,0,2]=4 15951 B12R1.43 NC(=O)[C@@H](Br)Cc1ccccc1 Amb27240179 [0,2,0,0,0,0|0,0,2]=4 15952 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb6295777 [0,2,0,0,0,0|0,0,2]=4 15953 B12R1.43 NC(=O)[C@@H](N)Cc1ccccc1 Amb9825510 [0,2,0,0,0,0|0,0,2]=4 15954 B12R1.43 NC(=O)[C@@H](O)Cc1ccccc1 Amb26371653 [0,2,0,0,0,0|0,0,2]=4 15955 B12R1.43 NC(=O)[C@H](Cl)Cc1ccccc1 Amb28385619 [0,2,0,0,0,0|0,0,2]=4 15956 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb16183950 [0,2,0,0,0,0|0,0,2]=4 15957 B12R1.43 NC(=O)[C@H](N)Cc1ccccc1 Amb33800758 [0,2,0,0,0,0|0,0,2]=4 15958 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [0,2,0,0,0,0|0,0,2]=4 15959 B12R1.43 NC(=S)C(O)Cc1ccccc1 Amb27398697 [0,2,0,0,0,0|0,1,1]=4 15960 B12R1.43 NC(Cc1ccccc1)B(O)O Amb27659344 [0,2,0,0,0,0|1,0,0]=3 15961 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb19958284 [0,2,0,0,0,0|0,0,1]=3 15962 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb9703092 [0,2,0,0,0,0|0,0,1]=3 15963 B12R1.43 NC(Cc1ccccc1)C(F)F Amb8391888 [0,2,0,0,0,0|1,0,0]=3 15964 B12R1.43 NC(Cc1ccccc1)[PH](=O)O Amb27254109 [0,2,0,0,0,0|1,0,0]=3 15965 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb22234042 [0,2,0,0,0,0|1,0,1]=4 15966 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb3788186 [0,2,0,0,0,0|1,0,1]=4 15967 B12R1.43 NC(Cc1ccccn1)C(F)F Amb28069901 [0,2,0,0,0,0|2,0,0]=4 15968 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb22301544 [0,2,0,0,0,0|1,0,1]=4 15969 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb3788187 [0,2,0,0,0,0|1,0,1]=4 15970 B12R1.43 NC(Cc1cccnc1)C(F)F Amb27155590 [0,2,0,0,0,0|2,0,0]=4 15971 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb22728340 [0,2,0,0,0,0|1,0,1]=4 15972 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb32661063 [0,2,0,0,0,0|1,0,1]=4 15973 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb3788185 [0,2,0,0,0,0|1,0,1]=4 15974 B12R1.43 NC(Cc1ccncc1)C(F)F Amb25733681 [0,2,0,0,0,0|2,0,0]=4 15975 B12R1.43 N[C@@H](Cc1ccccc1)B(O)O Amb25366514 [0,2,0,0,0,0|1,0,0]=3 15976 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)Cl Amb27955901 [0,2,0,0,0,0|0,0,2]=4 15977 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb22351110 [0,2,0,0,0,0|0,0,1]=3 15978 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb3940754 [0,2,0,0,0,0|0,0,1]=3 15979 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)S Amb27407796 [0,2,0,0,0,0|0,0,2]=4 15980 B12R1.43 N[C@@H](Cc1ccccc1)C(F)F Amb27958847 [0,2,0,0,0,0|1,0,0]=3 15981 B12R1.43 N[C@@H](Cc1ccccn1)C(=O)O Amb8629055 [0,2,0,0,0,0|1,0,1]=4 15982 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb16231985 [0,2,0,0,0,0|1,0,1]=4 15983 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb22008701 [0,2,0,0,0,0|1,0,1]=4 15984 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb8395968 [0,2,0,0,0,0|1,0,1]=4 15985 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb22745959 [0,2,0,0,0,0|1,0,1]=4 15986 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb2699212 [0,2,0,0,0,0|1,0,1]=4 15987 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O Amb2725663 [0,2,0,0,0,0|0,0,1]=3 15988 B12R1.43 N[C@H](Cc1ccccn1)C(=O)O Amb8390365 [0,2,0,0,0,0|1,0,1]=4 15989 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb19930749 [0,2,0,0,0,0|1,0,1]=4 15990 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb22008700 [0,2,0,0,0,0|1,0,1]=4 15991 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb6295898 [0,2,0,0,0,0|1,0,1]=4 15992 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb19944301 [0,2,0,0,0,0|1,0,1]=4 15993 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb6336423 [0,2,0,0,0,0|1,0,1]=4 15994 B12R1.43 O=C(Br)C(Br)Cc1ccccc1 Amb27840480 [0,2,0,0,0,0|0,0,2]=4 15995 B12R1.43 O=C(Cc1ccccc1)C(F)F Amb18180246 [0,2,0,0,0,0|1,0,1]=4 15996 B12R1.43 O=C(Cl)C(Br)Cc1ccccc1 Amb21961005 [0,2,0,0,0,0|0,0,2]=4 15997 B12R1.43 O=C(Cl)C(F)Cc1ccccc1 Amb27615534 [0,2,0,0,0,0|0,0,2]=4 15998 B12R1.43 O=C(Cl)C(O)Cc1ccccc1 Amb27632817 [0,2,0,0,0,0|0,0,2]=4 15999 B12R1.43 O=C(O)C(=O)Cc1ccccc1 Amb2718694 [0,2,0,0,0,0|0,0,2]=4 16000 B12R1.43 O=C(O)C(Br)Cc1ccccc1 Amb8392806 [0,2,0,0,0,0|0,0,1]=3 16001 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 Amb17204339 [0,2,0,0,0,0|0,0,1]=3 16002 B12R1.43 O=C(O)C(Cl)Sc1ccccc1 Amb27797220 [0,2,0,0,0,0|1,0,1]=4 16003 B12R1.43 O=C(O)C(F)Cc1ccccc1 Amb27863462 [0,2,0,0,0,0|0,0,1]=3 16004 B12R1.43 O=C(O)C(F)Cc1ccncc1 Amb27946336 [0,2,0,0,0,0|1,0,1]=4 16005 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [0,2,0,0,0,0|0,0,1]=3 16006 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb17138619 [0,2,0,0,0,0|1,0,1]=4 16007 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb35750904 [0,2,0,0,0,0|1,0,1]=4 16008 B12R1.43 O=C(O)C(O)Cc1cccnc1 Amb2699798 [0,2,0,0,0,0|1,0,1]=4 16009 B12R1.43 O=C(O)C(O)Cc1ccncc1 Amb17138620 [0,2,0,0,0,0|1,0,1]=4 16010 B12R1.43 O=C(O)C(O)Oc1ccccc1 Amb27645391 [0,2,0,0,0,0|1,0,1]=4 16011 B12R1.43 O=C(O)C(S)Cc1ccccc1 Amb18289035 [0,2,0,0,0,0|0,0,1]=3 16012 B12R1.43 O=C(O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,2,0,0,0,0|0,0,1]=3 16013 B12R1.43 O=C(O)[C@@H](F)Cc1ccccc1 Amb27983597 [0,2,0,0,0,0|0,0,1]=3 16014 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [0,2,0,0,0,0|0,0,1]=3 16015 B12R1.43 O=C(O)[C@@H](O)Cc1cccnc1 Amb27878615 [0,2,0,0,0,0|1,0,1]=4 16016 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [0,2,0,0,0,0|0,0,1]=3 16017 B12R1.43 O=C(O)[C@H](O)Cc1ccccn1 Amb27165660 [0,2,0,0,0,0|1,0,1]=4 16018 B12R1.43 O=C([O-])C(O)Cc1ccccc1 Amb33513053 [0,2,0,0,0,0|0,0,2]=4 16019 B12R1.43 O=[N+]([O-])C(Br)Cc1ccccc1 Amb27755505 [0,2,0,0,0,0|1,0,1]=4 16020 B12R1.43 O=[N+]([O-])C(F)Cc1ccccc1 Amb25996677 [0,2,0,0,0,0|1,0,1]=4 16021 B12R1.43 OC(Cc1ccccc1)C(F)F Amb24665165 [0,2,0,0,0,0|1,0,0]=3 16022 B12R1.43 O[C@H](Cc1ccccc1)[C@H](F)Cl Amb27392395 [0,2,0,0,0,0|1,0,0]=3 16023 B12R1.118 C=CC(CO)Nc1ccccc1 Amb27655109 [0,2,0,0,0,0|1,0,0]=3 16024 B12R1.118 C=CC(CO)Nc1ccccn1 Amb27979996 [0,2,0,0,0,0|2,0,0]=4 16025 B12R1.118 C=C\C(=C/c1ccccc1)CO Amb27981982 [0,2,0,0,0,0|0,0,2]=4 16026 B12R1.118 CCC(C#N)Cc1ccccc1 Amb27243484 [0,2,0,0,0,0|1,0,0]=3 16027 B12R1.118 CCC(C#N)Oc1ccccc1 Amb18797968 [0,2,0,0,0,0|2,0,0]=4 16028 B12R1.118 CCC(C#N)Sc1ccccc1 Amb10565503 [0,2,0,0,0,0|2,0,0]=4 16029 B12R1.118 CCC(CBr)Cc1ccccc1 Amb32688650 [0,2,0,0,0,0|1,0,0]=3 16030 B12R1.118 CCC(CCl)Cc1ccccc1 Amb32688649 [0,2,0,0,0,0|1,0,0]=3 16031 B12R1.118 CCC(CF)Nc1ccccc1 Amb27664184 [0,2,0,0,0,0|2,0,0]=4 16032 B12R1.118 CCC(CN)Cc1ccccc1 Amb5743867 [0,2,0,0,0,0|1,0,0]=3 16033 B12R1.118 CCC(CN)Cc1ccccn1 Amb5743864 [0,2,0,0,0,0|2,0,0]=4 16034 B12R1.118 CCC(CN)Cc1cccnc1 Amb5743865 [0,2,0,0,0,0|2,0,0]=4 16035 B12R1.118 CCC(CN)Cc1ccncc1 Amb5743866 [0,2,0,0,0,0|2,0,0]=4 16036 B12R1.118 CCC(CN)Nc1ccccc1 Amb25982695 [0,2,0,0,0,0|2,0,0]=4 16037 B12R1.118 CCC(CN)Oc1ccccc1 Amb18311092 [0,2,0,0,0,0|2,0,0]=4 16038 B12R1.118 CCC(CO)Nc1ccccc1 Amb13952611 [0,2,0,0,0,0|1,0,0]=3 16039 B12R1.118 CCC(Cc1ccccc1)NC Amb18792514 [0,2,0,0,0,0|1,0,0]=3 16040 B12R1.118 CCN(C#N)Cc1ccccc1 Amb24700837 [0,2,0,0,0,0|2,0,0]=4 16041 B12R1.118 CCN(CC)Cc1ccccc1 Amb4018412 [0,2,0,0,0,0|2,0,0]=4 16042 B12R1.118 CCN(Cc1ccccc1)N=O Amb24376725 [0,2,0,0,0,0|2,0,0]=4 16043 B12R1.118 CCN(Cc1ccccc1)OC Amb27977584 [0,2,0,0,0,0|2,0,0]=4 16044 B12R1.118 CC[C@@H](CO)Nc1ccccc1 Amb27175792 [0,2,0,0,0,0|1,0,0]=3 16045 B12R1.118 CC\C(=C\c1ccccc1)CO Amb27860945 [0,2,0,0,0,0|0,0,2]=4 16046 B12R1.118 CC\C(Cc1ccccc1)=N/O Amb27464620 [0,2,0,0,0,0|1,0,1]=4 16047 B12R1.118 CNC(C#N)Cc1ccccc1 Amb9205106 [0,2,0,0,0,0|1,0,1]=4 16048 B12R1.118 CNC(CN)Cc1ccccc1 Amb18800847 [0,2,0,0,0,0|1,0,0]=3 16049 B12R1.118 CNC(CO)Cc1ccccc1 Amb33536475 [0,2,0,0,0,0|0,0,0]=2 16050 B12R1.118 CN[C@@H](CO)Cc1ccccc1 Amb22745072 [0,2,0,0,0,0|0,0,0]=2 16051 B12R1.118 CN[C@H](CO)Cc1ccccc1 Amb33761130 [0,2,0,0,0,0|0,0,0]=2 16052 B12R1.118 COC(C#N)Cc1ccccc1 Amb25681947 [0,2,0,0,0,0|1,0,1]=4 16053 B12R1.118 COC(C=O)Cc1ccccc1 Amb18646090 [0,2,0,0,0,0|0,0,2]=4 16054 B12R1.118 COC(CBr)Cc1ccccc1 Amb32661729 [0,2,0,0,0,0|1,0,0]=3 16055 B12R1.118 COC(CN)Cc1ccccc1 Amb21954040 [0,2,0,0,0,0|1,0,0]=3 16056 B12R1.118 COC(CO)Cc1ccccc1 Amb28963382 [0,2,0,0,0,0|0,0,0]=2 16057 B12R1.118 COC(Cc1ccccc1)OC Amb8513289 [0,2,0,0,0,0|2,0,0]=4 16058 B12R1.118 CO\C(=C\c1ccccc1)CO Amb27457627 [0,2,0,0,0,0|0,0,2]=4 16059 B12R1.118 CSC(C#N)Cc1ccccc1 Amb17594511 [0,2,0,0,0,0|1,0,1]=4 16060 B12R1.118 C\C=C(\CO)Cc1ccccc1 Amb28242441 [0,2,0,0,0,0|0,0,1]=3 16061 B12R1.118 N#CC(C#N)Cc1ccccc1 Amb10574574 [0,2,0,0,0,0|1,0,1]=4 16062 B12R1.118 N#CC(CO)Cc1ccccc1 Amb18110109 [0,2,0,0,0,0|0,0,0]=2 16063 B12R1.118 N#CC(CO)Cc1cccnc1 Amb23537654 [0,2,0,0,0,0|1,0,0]=3 16064 B12R1.118 N#CC(CO)Nc1ccccc1 Amb27784107 [0,2,0,0,0,0|1,0,0]=3 16065 B12R1.118 N#C\C(=C/c1ccccc1)CO Amb28322086 [0,2,0,0,0,0|0,0,2]=4 16066 B12R1.118 NCC(CO)Cc1ccccc1 Amb5744189 [0,2,0,0,0,0|0,0,0]=2 16067 B12R1.118 NCC(CO)Cc1ccccn1 Amb5744186 [0,2,0,0,0,0|1,0,0]=3 16068 B12R1.118 NCC(CO)Cc1cccnc1 Amb28872356 [0,2,0,0,0,0|1,0,0]=3 16069 B12R1.118 NCC(CO)Cc1cccnc1 Amb5744187 [0,2,0,0,0,0|1,0,0]=3 16070 B12R1.118 NCC(CO)Cc1ccncc1 Amb33379053 [0,2,0,0,0,0|1,0,0]=3 16071 B12R1.118 NCC(CO)Cc1ccncc1 Amb5744188 [0,2,0,0,0,0|1,0,0]=3 16072 B12R1.118 NC\C(=C\F)Cc1ccccc1 Amb26531075 [0,2,0,0,0,0|1,0,1]=4 16073 B12R1.118 O=C\C(=C/O)Cc1ccccc1 Amb27630435 [0,2,0,0,0,0|0,0,2]=4 16074 B12R1.118 O=C\C(=C\c1ccccc1)CO Amb27769967 [0,2,0,0,0,0|0,0,2]=4 16075 B12R1.118 OCC(CO)Cc1ccccc1 Amb4018930 [0,2,0,0,0,0|0,0,0]=2 16076 B12R1.118 OCC(CO)Cc1ccccn1 Amb32416975 [0,2,0,0,0,0|1,0,0]=3 16077 B12R1.118 OCC(CO)Cc1ccncc1 Amb32416972 [0,2,0,0,0,0|1,0,0]=3 16078 B12R1.118 OCC(CO)Nc1ccncc1 Amb27464346 [0,2,0,0,0,0|2,0,0]=4 16079 B12R1.118 [C-]#[N+]C(CF)Cc1ccccc1 Amb27958640 [0,2,0,0,0,0|1,0,0]=3 16080 B12R1.194 C#CC(C)(C)Cc1ccccc1 Amb28044775 [0,2,0,0,0,0|1,0,1]=4 16081 B12R1.194 C#CC(C)(O)Cc1ccccc1 Amb1083082 [0,2,0,0,0,0|1,0,1]=4 16082 B12R1.194 C#C[C@](C)(N)Cc1ccccc1 Amb28319360 [0,2,0,0,0,0|1,0,1]=4 16083 B12R1.194 C=CC(C)(O)Cc1ccccc1 Amb27876057 [0,2,0,0,0,0|1,0,1]=4 16084 B12R1.194 CC(C)(C#N)Cc1ccccc1 Amb17333794 [0,2,0,0,0,0|1,0,1]=4 16085 B12R1.194 CC(C)(C=O)Cc1ccccc1 Amb4358578 [0,2,0,0,0,0|0,0,2]=4 16086 B12R1.194 CC(C)(CBr)Cc1ccccc1 Amb27748554 [0,2,0,0,0,0|1,0,0]=3 16087 B12R1.194 CC(C)(CBr)Cc1ccccn1 Amb33388019 [0,2,0,0,0,0|2,0,0]=4 16088 B12R1.194 CC(C)(CBr)Cc1cccnc1 Amb33451445 [0,2,0,0,0,0|2,0,0]=4 16089 B12R1.194 CC(C)(CBr)Cc1ccncc1 Amb33451454 [0,2,0,0,0,0|2,0,0]=4 16090 B12R1.194 CC(C)(CBr)Oc1ccccc1 Amb17248430 [0,2,0,0,0,0|2,0,0]=4 16091 B12R1.194 CC(C)(CCl)Cc1ccccc1 Amb26495593 [0,2,0,0,0,0|1,0,0]=3 16092 B12R1.194 CC(C)(CCl)Oc1ccccc1 Amb17234167 [0,2,0,0,0,0|2,0,0]=4 16093 B12R1.194 CC(C)(CCl)Sc1ccccc1 Amb28247918 [0,2,0,0,0,0|2,0,0]=4 16094 B12R1.194 CC(C)(CN)Cc1ccccc1 Amb17333839 [0,2,0,0,0,0|1,0,0]=3 16095 B12R1.194 CC(C)(CN)Cc1ccccc1 Amb19310600 [0,2,0,0,0,0|1,0,0]=3 16096 B12R1.194 CC(C)(CN)Cc1ccccn1 Amb24349483 [0,2,0,0,0,0|2,0,0]=4 16097 B12R1.194 CC(C)(CN)Cc1cccnc1 Amb24379600 [0,2,0,0,0,0|2,0,0]=4 16098 B12R1.194 CC(C)(CN)Cc1ccncc1 Amb26405150 [0,2,0,0,0,0|2,0,0]=4 16099 B12R1.194 CC(C)(CN)Nc1ccccc1 Amb3969109 [0,2,0,0,0,0|2,0,0]=4 16100 B12R1.194 CC(C)(CN)Oc1ccccc1 Amb17074797 [0,2,0,0,0,0|2,0,0]=4 16101 B12R1.194 CC(C)(CN)Oc1ccccc1 Amb19515084 [0,2,0,0,0,0|2,0,0]=4 16102 B12R1.194 CC(C)(CO)Cc1ccccc1 Amb4021846 [0,2,0,0,0,0|0,0,0]=2 16103 B12R1.194 CC(C)(CO)Cc1ccccn1 Amb33360423 [0,2,0,0,0,0|1,0,0]=3 16104 B12R1.194 CC(C)(CO)Cc1cccnc1 Amb33360422 [0,2,0,0,0,0|1,0,0]=3 16105 B12R1.194 CC(C)(CO)Cc1ccncc1 Amb33380627 [0,2,0,0,0,0|1,0,0]=3 16106 B12R1.194 CC(C)(CO)Cc1ccncn1 Amb33267944 [0,2,0,0,0,0|2,0,0]=4 16107 B12R1.194 CC(C)(CO)Cc1cnccn1 Amb33429628 [0,2,0,0,0,0|2,0,0]=4 16108 B12R1.194 CC(C)(CO)Cc1cncnc1 Amb32876134 [0,2,0,0,0,0|2,0,0]=4 16109 B12R1.194 CC(C)(CO)Cc1ncccn1 Amb33269913 [0,2,0,0,0,0|2,0,0]=4 16110 B12R1.194 CC(C)(CO)Nc1ccccc1 Amb18269010 [0,2,0,0,0,0|1,0,0]=3 16111 B12R1.194 CC(C)(CO)Nc1ccncc1 Amb9360343 [0,2,0,0,0,0|2,0,0]=4 16112 B12R1.194 CC(C)(CO)Oc1ccccc1 Amb17232597 [0,2,0,0,0,0|1,0,0]=3 16113 B12R1.194 CC(C)(Cc1ccccc1)N=O Amb22055953 [0,2,0,0,0,0|1,0,1]=4 16114 B12R1.194 CC(C)(Cc1ccccc1)NO Amb24411489 [0,2,0,0,0,0|1,0,0]=3 16115 B12R1.194 CC(C)(Cc1ccccc1)ON Amb32953153 [0,2,0,0,0,0|2,0,0]=4 16116 B12R1.194 CC(F)(CN)Cc1ccccc1 Amb28120778 [0,2,0,0,0,0|1,0,0]=3 16117 B12R1.194 CC(F)(CN)Cc1ccncc1 Amb28044848 [0,2,0,0,0,0|2,0,0]=4 16118 B12R1.194 CC(N)(C#N)Cc1ccccc1 Amb17232330 [0,2,0,0,0,0|1,0,1]=4 16119 B12R1.194 CC(N)(CO)Cc1ccccc1 Amb19001800 [0,2,0,0,0,0|0,0,0]=2 16120 B12R1.194 CC(N)(CO)Cc1ccccn1 Amb33360492 [0,2,0,0,0,0|1,0,0]=3 16121 B12R1.194 CC(N)(CO)Cc1cccnc1 Amb33360053 [0,2,0,0,0,0|1,0,0]=3 16122 B12R1.194 CC(N)(CO)Cc1ccncc1 Amb33380644 [0,2,0,0,0,0|1,0,0]=3 16123 B12R1.194 CC(N)(CO)Cc1ccncn1 Amb33268580 [0,2,0,0,0,0|2,0,0]=4 16124 B12R1.194 CC(N)(CO)Cc1cnccn1 Amb33429675 [0,2,0,0,0,0|2,0,0]=4 16125 B12R1.194 CC(N)(CO)Cc1cncnc1 Amb32876477 [0,2,0,0,0,0|2,0,0]=4 16126 B12R1.194 CC(N)(CO)Cc1ncccn1 Amb33270056 [0,2,0,0,0,0|2,0,0]=4 16127 B12R1.194 CC(O)(C#N)Cc1ccccc1 Amb18177733 [0,2,0,0,0,0|1,0,1]=4 16128 B12R1.194 CC(O)(C=O)Cc1ccccc1 Amb27399998 [0,2,0,0,0,0|0,0,2]=4 16129 B12R1.194 CC(O)(CCl)Cc1ccccc1 Amb28118919 [0,2,0,0,0,0|1,0,0]=3 16130 B12R1.194 CC(O)(CCl)Nc1ccccc1 Amb27406772 [0,2,0,0,0,0|2,0,0]=4 16131 B12R1.194 CC(O)(CN)Cc1ccccc1 Amb17082131 [0,2,0,0,0,0|1,0,0]=3 16132 B12R1.194 CC(O)(CN)Cc1ccccn1 Amb17082128 [0,2,0,0,0,0|2,0,0]=4 16133 B12R1.194 CC(O)(CN)Cc1cccnc1 Amb17082129 [0,2,0,0,0,0|2,0,0]=4 16134 B12R1.194 CC(O)(CN)Cc1ccncc1 Amb17082130 [0,2,0,0,0,0|2,0,0]=4 16135 B12R1.194 CC(O)(CO)Cc1ccccc1 Amb28138963 [0,2,0,0,0,0|0,0,0]=2 16136 B12R1.194 CC(S)(CN)Cc1ccccc1 Amb28141193 [0,2,0,0,0,0|1,0,0]=3 16137 B12R1.194 CCC(C)(C)Oc1ccccc1 Amb27967379 [0,2,0,0,0,0|2,0,0]=4 16138 B12R1.194 CCC(C)(N)Cc1ccccn1 Amb27397125 [0,2,0,0,0,0|2,0,0]=4 16139 B12R1.194 CCC(C)(N)Cc1cccnc1 Amb28430686 [0,2,0,0,0,0|2,0,0]=4 16140 B12R1.194 CCC(C)(O)Cc1ccccn1 Amb27830373 [0,2,0,0,0,0|2,0,0]=4 16141 B12R1.194 CCC(C)(O)Cc1cccnc1 Amb27851308 [0,2,0,0,0,0|2,0,0]=4 16142 B12R1.194 CCS(=O)(=O)Cc1ccccc1 Amb2747576 [0,2,0,0,0,0|2,0,0]=4 16143 B12R1.194 CC[N+](C)(C)Cc1ccccc1 Amb27156320 [0,2,0,0,0,0|2,0,0]=4 16144 B12R1.194 CNC(C)(C)Cc1ccccc1 Amb6336482 [0,2,0,0,0,0|2,0,0]=4 16145 B12R1.194 CNC(C)(O)Cc1ccccc1 Amb27204847 [0,2,0,0,0,0|2,0,0]=4 16146 B12R1.194 C[C@@](N)(CO)Cc1ccccc1 Amb26371721 [0,2,0,0,0,0|0,0,0]=2 16147 B12R1.194 C[C@@](O)(C=O)Cc1ccccc1 Amb27748618 [0,2,0,0,0,0|0,0,2]=4 16148 B12R1.194 C[C@](N)(CO)Cc1ccccc1 Amb28396546 [0,2,0,0,0,0|0,0,0]=2 16149 B12R1.194 C[Si](C)(CCl)Cc1ccccc1 Amb22338132 [0,2,0,0,0,0|1,1,0]=4 16150 B12R1.194 C[Si](C)(CO)Cc1ccccc1 Amb27812279 [0,2,0,0,0,0|0,1,0]=3 16151 B12R1.194 NCC(F)(F)Cc1ccccc1 Amb25103781 [0,2,0,0,0,0|1,0,0]=3 16152 B12R1.194 NCC(F)(F)Cc1ccccn1 Amb25789459 [0,2,0,0,0,0|2,0,0]=4 16153 B12R1.194 NCC(F)(F)Cc1cccnc1 Amb25865386 [0,2,0,0,0,0|2,0,0]=4 16154 B12R1.194 NCC(F)(F)Cc1ccncc1 Amb25864933 [0,2,0,0,0,0|2,0,0]=4 16155 B12R1.194 NCC(F)(F)Sc1ccccc1 Amb27985839 [0,2,0,0,0,0|2,0,0]=4 16156 B12R1.194 O=CC(Cl)(Cl)Cc1ccccc1 Amb28129587 [0,2,0,0,0,0|0,0,2]=4 16157 B12R1.194 OCC(F)(F)Cc1ccccc1 Amb25847026 [0,2,0,0,0,0|0,0,0]=2 16158 B12R1.194 OC[C@](F)(Cl)Cc1ccccc1 Amb27652930 [0,2,0,0,0,0|0,0,0]=2 16159 B12R1.891 CC(C)(C)CCc1ccccc1 Amb24470690 [0,2,0,0,0,0|1,0,0]=3 16160 B12R1.891 CC(C)(C)CNc1ccccc1 Amb10889788 [0,2,0,0,0,0|2,0,0]=4 16161 B12R1.891 CC(C)(C)CNc1ccccc1 Amb22394914 [0,2,0,0,0,0|2,0,0]=4 16162 B12R1.891 CC(C)(C)CSc1ccccc1 Amb27474882 [0,2,0,0,0,0|2,0,0]=4 16163 B12R1.891 CC(C)(C)NCc1ccccc1 Amb528106 [0,2,0,0,0,0|2,0,0]=4 16164 B12R1.891 CC(C)(C)SCc1ccccc1 Amb25846774 [0,2,0,0,0,0|2,0,0]=4 16165 B12R1.891 CC(C)(F)CNc1ccccc1 Amb27857222 [0,2,0,0,0,0|2,0,0]=4 16166 B12R1.891 CC(C)(N)CCc1ccccc1 Amb17334588 [0,2,0,0,0,0|1,0,0]=3 16167 B12R1.891 CC(C)(N)CCc1ccccc1 Amb19373033 [0,2,0,0,0,0|1,0,0]=3 16168 B12R1.891 CC(C)(N)CCc1ccccn1 Amb18563642 [0,2,0,0,0,0|2,0,0]=4 16169 B12R1.891 CC(C)(N)CCc1cccnc1 Amb18563644 [0,2,0,0,0,0|2,0,0]=4 16170 B12R1.891 CC(C)(N)CCc1ccncc1 Amb18563646 [0,2,0,0,0,0|2,0,0]=4 16171 B12R1.891 CC(C)(N)CNc1ccccc1 Amb18974263 [0,2,0,0,0,0|2,0,0]=4 16172 B12R1.891 CC(C)(N)COc1ccccc1 Amb17074732 [0,2,0,0,0,0|2,0,0]=4 16173 B12R1.891 CC(C)(N)CSc1ccccc1 Amb17485972 [0,2,0,0,0,0|2,0,0]=4 16174 B12R1.891 CC(C)(O)C#Cc1ccccc1 Amb535101 [0,2,0,0,0,0|0,0,2]=4 16175 B12R1.891 CC(C)(O)CCc1ccccc1 Amb18540684 [0,2,0,0,0,0|0,0,0]=2 16176 B12R1.891 CC(C)(O)CCc1ccccn1 Amb31176214 [0,2,0,0,0,0|1,0,0]=3 16177 B12R1.891 CC(C)(O)CCc1cccnc1 Amb31176215 [0,2,0,0,0,0|1,0,0]=3 16178 B12R1.891 CC(C)(O)CCc1ccncc1 Amb31176216 [0,2,0,0,0,0|1,0,0]=3 16179 B12R1.891 CC(C)(O)CNc1ccccc1 Amb17138596 [0,2,0,0,0,0|1,0,0]=3 16180 B12R1.891 CC(C)(O)CNc1ccccn1 Amb27483906 [0,2,0,0,0,0|2,0,0]=4 16181 B12R1.891 CC(C)(O)COc1ccccc1 Amb18180107 [0,2,0,0,0,0|1,0,0]=3 16182 B12R1.891 CC(C)(O)COc1ccccn1 Amb28188020 [0,2,0,0,0,0|2,0,0]=4 16183 B12R1.891 CC(C)(O)\C=C\c1ccccc1 Amb32954377 [0,2,0,0,0,0|0,0,2]=4 16184 B12R1.891 C[Si](C)(C)CCc1ccccc1 Amb27785985 [0,2,0,0,0,0|1,1,0]=4 16185 B12R1.891 C[Si](C)(Cl)CCc1ccccc1 Amb19893995 [0,2,0,0,0,0|1,1,0]=4 16186 B12R1.891 C[Si](Cl)(Cl)CCc1ccccc1 Amb6366480 [0,2,0,0,0,0|1,1,0]=4 16187 B12R1.891 Cl[Si](Cl)(Cl)CCc1ccccc1 Amb19893996 [0,2,0,0,0,0|1,1,0]=4 16188 B12R1.891 FC(F)(Br)SCc1ccccc1 Amb28318928 [0,2,0,0,0,0|2,0,0]=4 16189 B12R1.891 FC(F)(F)CCc1ccccc1 Amb2691115 [0,2,0,0,0,0|1,0,0]=3 16190 B12R1.891 FC(F)(F)CNc1ccccc1 Amb33868633 [0,2,0,0,0,0|2,0,0]=4 16191 B12R1.891 FC(F)(F)CNc1ccccc1 Amb6706999 [0,2,0,0,0,0|2,0,0]=4 16192 B12R1.891 FC(F)(F)COc1ccccc1 Amb10840984 [0,2,0,0,0,0|2,0,0]=4 16193 B12R1.891 FC(F)(F)CSc1ccccc1 Amb17673273 [0,2,0,0,0,0|2,0,0]=4 16194 B12R1.891 FC(F)(F)SCc1ccccc1 Amb8387522 [0,2,0,0,0,0|2,0,0]=4 16195 B12R1.891 F[B-](F)(F)CCc1ccccc1 Amb13890492 [0,2,0,0,0,0|2,0,0]=4 16196 B12R1.891 NS(=O)(=O)CCc1ccccc1 Amb4435162 [0,2,0,0,0,0|1,0,1]=4 16197 B12R1.891 O=P(O)(Cl)CCc1ccccc1 Amb28435339 [0,2,0,0,0,0|1,0,0]=3 16198 B12R1.891 O=P(O)(O)CCc1ccccc1 Amb9786423 [0,2,0,0,0,0|1,0,0]=3 16199 B12R1.891 O=P(O)(O)CCc1ccccn1 Amb3354896 [0,2,0,0,0,0|2,0,0]=4 16200 B12R1.891 O=P(O)(O)OCc1ccccc1 Amb4297430 [0,2,0,0,0,0|2,0,0]=4 16201 B12R1.891 O=S(=O)(Br)CCc1ccccc1 Amb23555507 [0,2,0,0,0,0|1,0,1]=4 16202 B12R1.891 O=S(=O)(Cl)CCc1ccccc1 Amb1130049 [0,2,0,0,0,0|1,0,1]=4 16203 B12R1.891 O=S(=O)(F)CCc1ccccc1 Amb19375026 [0,2,0,0,0,0|1,0,1]=4 16204 B12R1.891 O=S(=O)(O)CCc1ccccc1 Amb19866568 [0,2,0,0,0,0|1,0,0]=3 16205 B12R1.891 O=S(=O)(O)CCc1ccccn1 Amb2721298 [0,2,0,0,0,0|2,0,0]=4 16206 B12R1.891 O=S(=O)(O)CCc1ccncc1 Amb8394834 [0,2,0,0,0,0|2,0,0]=4 16207 B12R1.891 O=S(=O)(O)NCc1ccccc1 Amb22551828 [0,2,0,0,0,0|2,0,0]=4 16208 B12R1.891 O=S(=O)([O-])CCc1ccccc1 Amb22457030 [0,2,0,0,0,0|1,0,1]=4 16209 B12R1.891 [2H]C([2H])(O)COc1ccccc1 Amb33330986 [0,2,0,0,0,0|1,0,0]=3 16210 B10R1.71 O[C@@H]1C=CC=C[C@H](O)CC1 Amb27833653 [0,0,1,1,0,0|1,0,1]=4 16211 B10R1.78 O=C1C=CC=CCCCC1 Amb22342438 [0,0,1,1,0,0|2,0,0]=4 16212 B10R1.187 C=C1C=CC(=O)N1CCO Amb27614995 [0,0,1,1,0,0|2,0,0]=4 16213 B10R1.332 CC1=CC=C(C)[C@@H](O)CC1 Amb27766624 [0,0,1,1,0,0|0,0,2]=4 16214 B10R1.436 C=C\C=C\C1(C)CC1CO Amb27598535 [0,0,1,1,0,0|0,0,2]=4 16215 B10R1.5 C=CC1=CCN[C@H]1CCO Amb27864046 [0,0,1,1,0,0|1,0,1]=4 16216 B10R1.5 C=CC1CC=CC1CCO Amb28200686 [0,0,1,1,0,0|0,0,2]=4 16217 B10R1.5 C=C[C@H]1CC=C[C@H]1CCO Amb28435669 [0,0,1,1,0,0|0,0,2]=4 16218 B10R1.5 O=Cc1cccn1CCO Amb17116748 [0,0,1,1,0,0|2,0,0]=4 16219 B10R1.172 C=Cc1cccc(CO)c1 Amb24405968 [0,0,1,1,0,0|0,0,2]=4 16220 B10R1.172 C=Cc1cccc(CO)n1 Amb26511253 [0,0,1,1,0,0|1,0,1]=4 16221 B10R1.197 COC1=CC=CC(O)CC1 Amb27220151 [0,0,1,1,0,0|1,0,1]=4 16222 B10R1.19 C=C1C=CC=CCC1CBr Amb27614357 [0,0,1,1,0,0|1,0,0]=3 16223 B10R2.6 c1cc(C2CC2)ccn1 Amb2694200 [1,0,0,1,0,0|1,0,0]=3 16224 B10R2.6 c1cc(C2CC2)ccn1 Amb31188309 [1,0,0,1,0,0|1,0,0]=3 16225 B10R2.6 c1cc(C2CC2)ncn1 Amb24091440 [1,0,0,1,0,0|2,0,0]=4 16226 B10R2.6 c1cc(C2CN2)ccn1 Amb18221868 [1,0,0,1,0,0|2,0,0]=4 16227 B10R2.6 c1cc(C2CO2)ccn1 Amb17090250 [1,0,0,1,0,0|1,0,0]=3 16228 B10R2.6 c1cc(C2CO2)ncn1 Amb33269520 [1,0,0,1,0,0|2,0,0]=4 16229 B10R2.6 c1cc(C2CS2)ccn1 Amb27162542 [1,0,0,1,0,0|1,1,0]=4 16230 B10R2.6 c1cc([C@@H]2CO2)ccn1 Amb24103202 [1,0,0,1,0,0|1,0,0]=3 16231 B10R2.6 c1cc([C@@H]2CO2)ncn1 Amb26430648 [1,0,0,1,0,0|2,0,0]=4 16232 B10R2.6 c1cc([C@H]2CO2)ccn1 Amb24103149 [1,0,0,1,0,0|1,0,0]=3 16233 B10R2.6 c1cc([C@H]2CO2)ncn1 Amb27244298 [1,0,0,1,0,0|2,0,0]=4 16234 B10R2.6 c1ccc(C2CC2)cc1 Amb2780033 [1,0,0,1,0,0|0,0,0]=2 16235 B10R2.6 c1ccc(C2CC2)nc1 Amb27482994 [1,0,0,1,0,0|1,0,0]=3 16236 B10R2.6 c1ccc(C2CN2)cc1 Amb4114017 [1,0,0,1,0,0|1,0,0]=3 16237 B10R2.6 c1ccc(C2CN2)nc1 Amb18860383 [1,0,0,1,0,0|2,0,0]=4 16238 B10R2.6 c1ccc(C2CO2)cc1 Amb9702825 [1,0,0,1,0,0|0,0,0]=2 16239 B10R2.6 c1ccc(C2CO2)nc1 Amb17090248 [1,0,0,1,0,0|1,0,0]=3 16240 B10R2.6 c1ccc([C@@H]2CN2)cc1 Amb30633901 [1,0,0,1,0,0|1,0,0]=3 16241 B10R2.6 c1ccc([C@@H]2CO2)cc1 Amb8514797 [1,0,0,1,0,0|0,0,0]=2 16242 B10R2.6 c1ccc([C@@H]2CO2)nc1 Amb24481607 [1,0,0,1,0,0|1,0,0]=3 16243 B10R2.6 c1ccc([C@H]2CN2)cc1 Amb33871555 [1,0,0,1,0,0|1,0,0]=3 16244 B10R2.6 c1ccc([C@H]2CO2)cc1 Amb8628176 [1,0,0,1,0,0|0,0,0]=2 16245 B10R2.6 c1ccc([C@H]2CO2)nc1 Amb24101968 [1,0,0,1,0,0|1,0,0]=3 16246 B10R2.6 c1cnc(C2CC2)cn1 Amb27240072 [1,0,0,1,0,0|2,0,0]=4 16247 B10R2.6 c1cnc(C2CC2)nc1 Amb24104366 [1,0,0,1,0,0|2,0,0]=4 16248 B10R2.6 c1cnc(C2CO2)cn1 Amb25104129 [1,0,0,1,0,0|2,0,0]=4 16249 B10R2.6 c1cnc(C2CO2)nc1 Amb33270688 [1,0,0,1,0,0|2,0,0]=4 16250 B10R2.6 c1cnc([C@@H]2CO2)cn1 Amb24481608 [1,0,0,1,0,0|2,0,0]=4 16251 B10R2.6 c1cnc([C@@H]2CO2)nc1 Amb33269208 [1,0,0,1,0,0|2,0,0]=4 16252 B10R2.6 c1cnc([C@H]2CO2)cn1 Amb24481609 [1,0,0,1,0,0|2,0,0]=4 16253 B10R2.6 c1cnc([C@H]2CO2)nc1 Amb33269209 [1,0,0,1,0,0|2,0,0]=4 16254 B10R2.6 c1cncc(C2CC2)c1 Amb22235730 [1,0,0,1,0,0|1,0,0]=3 16255 B10R2.6 c1cncc(C2CN2)c1 Amb18221862 [1,0,0,1,0,0|2,0,0]=4 16256 B10R2.6 c1cncc(C2CO2)c1 Amb17090249 [1,0,0,1,0,0|1,0,0]=3 16257 B10R2.6 c1cncc([C@@H]2CO2)c1 Amb25758556 [1,0,0,1,0,0|1,0,0]=3 16258 B10R2.6 c1cncc([C@H]2CO2)c1 Amb28382282 [1,0,0,1,0,0|1,0,0]=3 16259 B10R2.6 c1cnnc(C2CC2)c1 Amb25376122 [1,0,0,1,0,0|2,0,0]=4 16260 B10R2.6 c1ncc(C2CO2)cn1 Amb24657638 [1,0,0,1,0,0|2,0,0]=4 16261 B10R2.6 c1ncc([C@@H]2CO2)cn1 Amb32875961 [1,0,0,1,0,0|2,0,0]=4 16262 B10R2.6 c1ncc([C@H]2CO2)cn1 Amb32875997 [1,0,0,1,0,0|2,0,0]=4 16263 B10R2.7 C1=Cc2ccccc2C1 Amb2383760 [1,0,0,1,0,0|0,0,2]=4 16264 B10R2.7 b1oc2ccccc2o1 Amb22731069 [1,0,0,1,0,0|2,0,0]=4 16265 B10R2.7 c1cc2c(cn1)CCN2 Amb19515489 [1,0,0,1,0,0|2,0,0]=4 16266 B10R2.7 c1cc2c(cn1)CCN2 Amb22372217 [1,0,0,1,0,0|2,0,0]=4 16267 B10R2.7 c1cc2c(cn1)CCO2 Amb24101562 [1,0,0,1,0,0|1,0,0]=3 16268 B10R2.7 c1cc2c(cn1)CNC2 Amb10067652 [1,0,0,1,0,0|2,0,0]=4 16269 B10R2.7 c1cc2c(cn1)CNC2 Amb20242101 [1,0,0,1,0,0|2,0,0]=4 16270 B10R2.7 c1cc2c(cn1)CNC2 Amb2696535 [1,0,0,1,0,0|2,0,0]=4 16271 B10R2.7 c1cc2c(cn1)COC2 Amb24738431 [1,0,0,1,0,0|2,0,0]=4 16272 B10R2.7 c1cc2c(cn1)COC2 Amb30625050 [1,0,0,1,0,0|2,0,0]=4 16273 B10R2.7 c1cc2c(cn1)NCC2 Amb19516033 [1,0,0,1,0,0|2,0,0]=4 16274 B10R2.7 c1cc2c(cn1)NCC2 Amb22495003 [1,0,0,1,0,0|2,0,0]=4 16275 B10R2.7 c1cc2c(cn1)NCC2 Amb23412122 [1,0,0,1,0,0|2,0,0]=4 16276 B10R2.7 c1cc[n+]2c(c1)OCC2 Amb22364467 [1,0,0,1,0,0|1,0,0]=3 16277 B10R2.7 c1ccc2c(c1)CCC2 Amb6608915 [1,0,0,1,0,0|0,0,0]=2 16278 B10R2.7 c1ccc2c(c1)CCN2 Amb1869493 [1,0,0,1,0,0|1,0,0]=3 16279 B10R2.7 c1ccc2c(c1)CCO2 Amb2687295 [1,0,0,1,0,0|0,0,0]=2 16280 B10R2.7 c1ccc2c(c1)CNC2 Amb33527370 [1,0,0,1,0,0|1,0,0]=3 16281 B10R2.7 c1ccc2c(c1)CNC2 Amb33544332 [1,0,0,1,0,0|1,0,0]=3 16282 B10R2.7 c1ccc2c(c1)CNN2 Amb8386538 [1,0,0,1,0,0|2,0,0]=4 16283 B10R2.7 c1ccc2c(c1)COC2 Amb2780010 [1,0,0,1,0,0|1,0,0]=3 16284 B10R2.7 c1ccc2c(c1)CPC2 Amb27217940 [1,0,0,1,0,0|1,0,0]=3 16285 B10R2.7 c1ccc2c(c1)CSC2 Amb21962922 [1,0,0,1,0,0|1,0,0]=3 16286 B10R2.7 c1ccc2c(c1)NCO2 Amb28050014 [1,0,0,1,0,0|1,0,0]=3 16287 B10R2.7 c1ccc2c(c1)OCO2 Amb2684576 [1,0,0,1,0,0|1,0,0]=3 16288 B10R2.7 c1ccc2c(c1)OSO2 Amb28050023 [1,0,0,1,0,0|2,0,0]=4 16289 B10R2.7 c1ccc2c(c1)SCS2 Amb26548649 [1,0,0,1,0,0|1,1,0]=4 16290 B10R2.7 c1ccc2occc2c1 Amb2725466 [1,0,0,1,0,0|0,0,2]=4 16291 B10R2.7 c1ccc2ocnc2c1 Amb6608831 [1,0,0,1,0,0|1,0,1]=4 16292 B10R2.7 c1ccc2oncc2c1 Amb1233398 [1,0,0,1,0,0|1,0,1]=4 16293 B10R2.7 c1cnc2c(c1)CCC2 Amb8386888 [1,0,0,1,0,0|1,0,0]=3 16294 B10R2.7 c1cnc2c(c1)CCN2 Amb32406061 [1,0,0,1,0,0|2,0,0]=4 16295 B10R2.7 c1cnc2c(c1)CCN2 Amb6751887 [1,0,0,1,0,0|2,0,0]=4 16296 B10R2.7 c1cnc2c(c1)CCO2 Amb25337454 [1,0,0,1,0,0|1,0,0]=3 16297 B10R2.7 c1cnc2c(c1)CCS2 Amb8439003 [1,0,0,1,0,0|1,1,0]=4 16298 B10R2.7 c1cnc2c(c1)CNC2 Amb20671408 [1,0,0,1,0,0|2,0,0]=4 16299 B10R2.7 c1cnc2c(c1)CNC2 Amb22489863 [1,0,0,1,0,0|2,0,0]=4 16300 B10R2.7 c1cnc2c(c1)CNC2 Amb2696534 [1,0,0,1,0,0|2,0,0]=4 16301 B10R2.7 c1cnc2c(c1)CNC2 Amb33172747 [1,0,0,1,0,0|2,0,0]=4 16302 B10R2.7 c1cnc2c(c1)CNC2 Amb33172763 [1,0,0,1,0,0|2,0,0]=4 16303 B10R2.7 c1cnc2c(c1)CNC2 Amb8630212 [1,0,0,1,0,0|2,0,0]=4 16304 B10R2.7 c1cnc2c(c1)COC2 Amb24467517 [1,0,0,1,0,0|2,0,0]=4 16305 B10R2.7 c1cnc2c(c1)NCC2 Amb18833005 [1,0,0,1,0,0|2,0,0]=4 16306 B10R2.7 c1cnc2c(c1)NCC2 Amb33069019 [1,0,0,1,0,0|2,0,0]=4 16307 B10R2.7 c1cnc2c(c1)OCC2 Amb23455396 [1,0,0,1,0,0|1,0,0]=3 16308 B10R2.7 c1ncc2c(n1)OCC2 Amb27636198 [1,0,0,1,0,0|2,0,0]=4 16309 B10R2.320 BrC1Cc2ccccc21 Amb8395938 [1,0,0,1,0,0|1,0,0]=3 16310 B10R2.320 CC1=Cc2ccccc21 Amb27838637 [1,0,0,1,0,0|0,0,2]=4 16311 B10R2.320 CC1Cc2ccccc21 Amb17778870 [1,0,0,1,0,0|0,0,0]=2 16312 B10R2.320 ClC1Cc2ccccc21 Amb17778800 [1,0,0,1,0,0|1,0,0]=3 16313 B10R2.320 FC1Cc2ccccc21 Amb26861975 [1,0,0,1,0,0|1,0,0]=3 16314 B10R2.320 IC1Cc2ccccc21 Amb27465878 [1,0,0,1,0,0|1,0,0]=3 16315 B10R2.320 NC1Cc2ccccc21 Amb26866193 [1,0,0,1,0,0|1,0,0]=3 16316 B10R2.320 NC1Cc2ccccc21 Amb33552087 [1,0,0,1,0,0|1,0,0]=3 16317 B10R2.320 O=C1Cc2ccccc21 Amb8395940 [1,0,0,1,0,0|0,0,2]=4 16318 B10R2.320 OC1Cc2ccccc21 Amb17778676 [1,0,0,1,0,0|0,0,0]=2 16319 B10R2.320 [NH3+]C1Cc2ccccc21 Amb17778877 [1,0,0,1,0,0|1,0,0]=3 16320 B10R2.408 c1cc2cc(c1)CNC2 Amb28197239 [1,0,0,1,0,0|1,0,0]=3 16321 B10R2.5 BrC1CC1c2ccco2 Amb28313048 [0,0,0,1,1,0|2,0,0]=4 16322 B10R2.5 CC1CC1c2ccco2 Amb446873 [0,0,0,1,1,0|2,0,0]=4 16323 B10R2.5 NC1CC1c2ccco2 Amb7094904 [0,0,0,1,1,0|2,0,0]=4 16324 B10R2.5 NC1CC1c2cccs2 Amb7094905 [0,0,0,1,1,0|2,0,0]=4 16325 B10R2.5 NC1CC1c2ccoc2 Amb24527705 [0,0,0,1,1,0|2,0,0]=4 16326 B10R2.5 NC1CC1c2ccsc2 Amb32669014 [0,0,0,1,1,0|2,0,0]=4 16327 B10R2.5 NC1CC1c2ccsc2 Amb7767346 [0,0,0,1,1,0|2,0,0]=4 16328 B10R2.5 NC1CC1n2cccc2 Amb18278848 [0,0,0,1,1,0|2,0,0]=4 16329 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 Amb25914509 [0,0,0,1,1,0|2,0,0]=4 16330 B10R2.5 N[C@@H]1C[C@H]1c2cccs2 Amb25988700 [0,0,0,1,1,0|2,0,0]=4 16331 B10R2.5 N[C@@H]1C[C@H]1c2ccoc2 Amb33361250 [0,0,0,1,1,0|2,0,0]=4 16332 B10R2.5 N[C@@H]1C[C@H]1c2ccsc2 Amb26896091 [0,0,0,1,1,0|2,0,0]=4 16333 B10R2.5 N[C@@H]1C[C@H]1c2ccsc2 Amb28723367 [0,0,0,1,1,0|2,0,0]=4 16334 B10R2.5 N[C@H]1C[C@@H]1c2cccs2 Amb27784468 [0,0,0,1,1,0|2,0,0]=4 16335 B10R2.32 ClC1CCc2sccc21 Amb17087991 [0,0,0,1,1,0|2,0,0]=4 16336 B10R2.32 NC1CCc2ccsc21 Amb18643462 [0,0,0,1,1,0|2,0,0]=4 16337 B10R2.32 NC1CCc2cocc21 Amb28368543 [0,0,0,1,1,0|2,0,0]=4 16338 B10R2.32 NC1CCc2cscc21 Amb18202935 [0,0,0,1,1,0|2,0,0]=4 16339 B10R2.32 NC1CCc2sccc21 Amb6740009 [0,0,0,1,1,0|2,0,0]=4 16340 B10R2.32 NC1CCn2cccc21 Amb27252764 [0,0,0,1,1,0|2,0,0]=4 16341 B10R2.32 OC1CCc2ccsc21 Amb24675555 [0,0,0,1,1,0|1,0,0]=3 16342 B10R2.32 OC1CCc2cscc21 Amb18202846 [0,0,0,1,1,0|1,0,0]=3 16343 B10R2.32 OC1CCc2sccc21 Amb17087941 [0,0,0,1,1,0|1,0,0]=3 16344 B10R2.32 OC1CCn2ccnc21 Amb22584148 [0,0,0,1,1,0|2,0,0]=4 16345 B10R2.32 OC1CNc2ccoc21 Amb27165235 [0,0,0,1,1,0|2,0,0]=4 16346 B10R2.32 OC1CSc2ccsc21 Amb27978497 [0,0,0,1,1,0|2,0,0]=4 16347 B10R2.136 c1cc(C2CCN2)co1 Amb26483148 [0,0,0,1,1,0|2,0,0]=4 16348 B10R2.136 c1cc(C2CCN2)cs1 Amb26495100 [0,0,0,1,1,0|2,0,0]=4 16349 B10R2.136 c1cc([C@H]2CCN2)co1 Amb28140298 [0,0,0,1,1,0|2,0,0]=4 16350 B10R2.136 c1ccn(C2CCC2)c1 Amb27202149 [0,0,0,1,1,0|2,0,0]=4 16351 B10R2.136 c1coc(C2CCN2)c1 Amb7808808 [0,0,0,1,1,0|2,0,0]=4 16352 B10R2.136 c1coc(C2CCS2)c1 Amb28370026 [0,0,0,1,1,0|1,1,0]=4 16353 B10R2.136 c1coc([C@@H]2CCN2)c1 Amb27953588 [0,0,0,1,1,0|2,0,0]=4 16354 B10R2.136 c1coc([C@H]2CCN2)c1 Amb28125975 [0,0,0,1,1,0|2,0,0]=4 16355 B10R2.136 c1csc(C2CCN2)c1 Amb7808809 [0,0,0,1,1,0|2,0,0]=4 16356 B10R2.136 c1csc([C@H]2CCN2)c1 Amb27629465 [0,0,0,1,1,0|2,0,0]=4 16357 B10R2.193 c1cc(CC2CO2)co1 Amb26386561 [0,0,0,1,1,0|1,0,0]=3 16358 B10R2.193 c1cc(CC2CO2)cs1 Amb24392264 [0,0,0,1,1,0|1,0,0]=3 16359 B10R2.193 c1cc(CC2CO2)no1 Amb33197564 [0,0,0,1,1,0|2,0,0]=4 16360 B10R2.193 c1cc(CC2CO2)sn1 Amb27195469 [0,0,0,1,1,0|2,0,0]=4 16361 B10R2.193 c1cn(CC2CO2)cn1 Amb1131405 [0,0,0,1,1,0|2,0,0]=4 16362 B10R2.193 c1cn(C[C@@H]2CO2)cn1 Amb27980802 [0,0,0,1,1,0|2,0,0]=4 16363 B10R2.193 c1cn(C[C@H]2CO2)cn1 Amb27175084 [0,0,0,1,1,0|2,0,0]=4 16364 B10R2.193 c1cnn(CC2CO2)c1 Amb1134488 [0,0,0,1,1,0|2,0,0]=4 16365 B10R2.193 c1cnn(C[C@@H]2CO2)c1 Amb27775629 [0,0,0,1,1,0|2,0,0]=4 16366 B10R2.193 c1cnn(C[C@H]2CO2)c1 Amb27394982 [0,0,0,1,1,0|2,0,0]=4 16367 B10R2.193 c1coc(CC2CO2)c1 Amb27838490 [0,0,0,1,1,0|1,0,0]=3 16368 B10R2.193 c1csc(CC2CC2)c1 Amb32680364 [0,0,0,1,1,0|2,0,0]=4 16369 B10R2.193 c1csc(CC2CO2)c1 Amb26951226 [0,0,0,1,1,0|1,0,0]=3 16370 B10R2.193 c1csc(CC2CO2)n1 Amb33429874 [0,0,0,1,1,0|2,0,0]=4 16371 B10R2.193 c1nc(CC2CO2)cs1 Amb25143297 [0,0,0,1,1,0|2,0,0]=4 16372 B10R2.193 c1ncc(CC2CO2)o1 Amb33414806 [0,0,0,1,1,0|2,0,0]=4 16373 B10R2.193 c1ncc(CC2CO2)s1 Amb33269134 [0,0,0,1,1,0|2,0,0]=4 16374 B10R2.193 c1nscc1CC2CO2 Amb35731490 [0,0,0,1,1,0|2,0,0]=4 16375 B12R2.41 C1=CC=C2NCCCN2C=C1 Amb27881573 [0,0,0,1,0,1|2,0,0]=4 16376 B12R2.41 C1=CC=C2NCCN=C2C=C1 Amb27250935 [0,0,0,1,0,1|2,0,0]=4 16377 B12R2.586 O=C1CCC2=C1CC=CC=C2 Amb27599449 [0,0,0,1,0,1|0,0,2]=4 16378 B12R2.586 O=C1CCC2=CC=CCC=C12 Amb28074670 [0,0,0,1,0,1|0,0,2]=4 16379 B12R2.586 O=C1CCC2=CCC=CC=C12 Amb28386613 [0,0,0,1,0,1|0,0,2]=4 16380 B12R2.586 O[C@H]1CCC2=CC=CC=C[C@@H]21 Amb27420596 [0,0,0,1,0,1|0,0,0]=2 16381 B12R2.586 O[C@H]1CCC2=CCCC=C[C@@H]21 Amb28134845 [0,0,0,1,0,1|0,0,2]=4 16382 B12R2.24 BrC1=Cc2ccccc2CC1 Amb25726468 [0,1,0,1,0,0|1,0,1]=4 16383 B12R2.24 BrC1=Cc2ccccc2OC1 Amb27841536 [0,1,0,1,0,0|0,0,2]=4 16384 B12R2.24 BrC1CCc2ccccc2C1 Amb13952699 [0,1,0,1,0,0|1,0,0]=3 16385 B12R2.24 BrC1CCc2ncccc2C1 Amb35607755 [0,1,0,1,0,0|2,0,0]=4 16386 B12R2.24 BrC1COc2ccccc2C1 Amb28202605 [0,1,0,1,0,0|0,0,0]=2 16387 B12R2.24 BrC1Cc2ccccc2CO1 Amb28048803 [0,1,0,1,0,0|2,0,0]=4 16388 B12R2.24 Brc1cc2c(cn1)CCCC2 Amb23455611 [0,1,0,1,0,0|2,0,0]=4 16389 B12R2.24 Brc1cc2c(cn1)CCCN2 Amb27441738 [0,1,0,1,0,0|2,0,0]=4 16390 B12R2.24 Brc1cc2c(cn1)NCCO2 Amb27638261 [0,1,0,1,0,0|2,0,0]=4 16391 B12R2.24 Brc1cc2c(cn1)OCCN2 Amb27633249 [0,1,0,1,0,0|2,0,0]=4 16392 B12R2.24 Brc1ccc2c(c1)C=CCC2 Amb2383772 [0,1,0,1,0,0|1,0,1]=4 16393 B12R2.24 Brc1ccc2c(c1)C=CCO2 Amb22231978 [0,1,0,1,0,0|0,0,2]=4 16394 B12R2.24 Brc1ccc2c(c1)C=NCC2 Amb22490212 [0,1,0,1,0,0|2,0,0]=4 16395 B12R2.24 Brc1ccc2c(c1)C=NCC2 Amb27830359 [0,1,0,1,0,0|2,0,0]=4 16396 B12R2.24 Brc1ccc2c(c1)CCCC2 Amb6665353 [0,1,0,1,0,0|1,0,0]=3 16397 B12R2.24 Brc1ccc2c(c1)CCCN2 Amb1090469 [0,1,0,1,0,0|1,0,0]=3 16398 B12R2.24 Brc1ccc2c(c1)CCCN2 Amb6825616 [0,1,0,1,0,0|1,0,0]=3 16399 B12R2.24 Brc1ccc2c(c1)CCCO2 Amb33536169 [0,1,0,1,0,0|0,0,0]=2 16400 B12R2.24 Brc1ccc2c(c1)CCCS2 Amb18755837 [0,1,0,1,0,0|0,1,0]=3 16401 B12R2.24 Brc1ccc2c(c1)CCNC2 Amb10602999 [0,1,0,1,0,0|2,0,0]=4 16402 B12R2.24 Brc1ccc2c(c1)CCNC2 Amb19957726 [0,1,0,1,0,0|2,0,0]=4 16403 B12R2.24 Brc1ccc2c(c1)CCOC2 Amb19958103 [0,1,0,1,0,0|2,0,0]=4 16404 B12R2.24 Brc1ccc2c(c1)CNCC2 Amb19957727 [0,1,0,1,0,0|2,0,0]=4 16405 B12R2.24 Brc1ccc2c(c1)CNCC2 Amb2383361 [0,1,0,1,0,0|2,0,0]=4 16406 B12R2.24 Brc1ccc2c(c1)COCC2 Amb21962440 [0,1,0,1,0,0|2,0,0]=4 16407 B12R2.24 Brc1ccc2c(c1)COCO2 Amb16231031 [0,1,0,1,0,0|1,0,0]=3 16408 B12R2.24 Brc1ccc2c(c1)NCCC2 Amb10576260 [0,1,0,1,0,0|1,0,0]=3 16409 B12R2.24 Brc1ccc2c(c1)NCCC2 Amb2383341 [0,1,0,1,0,0|1,0,0]=3 16410 B12R2.24 Brc1ccc2c(c1)NCCN2 Amb33549267 [0,1,0,1,0,0|2,0,0]=4 16411 B12R2.24 Brc1ccc2c(c1)NCCO2 Amb21964574 [0,1,0,1,0,0|1,0,0]=3 16412 B12R2.24 Brc1ccc2c(c1)NCCO2 Amb2383447 [0,1,0,1,0,0|1,0,0]=3 16413 B12R2.24 Brc1ccc2c(c1)OCCC2 Amb23440336 [0,1,0,1,0,0|0,0,0]=2 16414 B12R2.24 Brc1ccc2c(c1)OCCN2 Amb10603903 [0,1,0,1,0,0|1,0,0]=3 16415 B12R2.24 Brc1ccc2c(c1)OCCN2 Amb19958005 [0,1,0,1,0,0|1,0,0]=3 16416 B12R2.24 Brc1ccc2c(c1)OCCO2 Amb1152259 [0,1,0,1,0,0|1,0,0]=3 16417 B12R2.24 Brc1ccc2c(c1)OCOC2 Amb2723035 [0,1,0,1,0,0|1,0,0]=3 16418 B12R2.24 Brc1ccc2c(n1)CCCC2 Amb15701630 [0,1,0,1,0,0|2,0,0]=4 16419 B12R2.24 Brc1ccc2c(n1)CCCN2 Amb17621868 [0,1,0,1,0,0|2,0,0]=4 16420 B12R2.24 Brc1ccc2c(n1)NCCC2 Amb27870744 [0,1,0,1,0,0|2,0,0]=4 16421 B12R2.24 Brc1ccc2c(n1)NCCO2 Amb21864617 [0,1,0,1,0,0|2,0,0]=4 16422 B12R2.24 Brc1ccc2c(n1)OCCN2 Amb13890276 [0,1,0,1,0,0|2,0,0]=4 16423 B12R2.24 Brc1cnc2c(c1)CCCC2 Amb22289551 [0,1,0,1,0,0|2,0,0]=4 16424 B12R2.24 Brc1cnc2c(c1)CCCN2 Amb19878999 [0,1,0,1,0,0|2,0,0]=4 16425 B12R2.24 Brc1cnc2c(c1)CCCO2 Amb26431971 [0,1,0,1,0,0|1,0,0]=3 16426 B12R2.24 Brc1cnc2c(c1)NCCC2 Amb25890723 [0,1,0,1,0,0|2,0,0]=4 16427 B12R2.24 Brc1cnc2c(c1)NCCO2 Amb22756067 [0,1,0,1,0,0|2,0,0]=4 16428 B12R2.24 Brc1cnc2c(c1)OCCN2 Amb2724102 [0,1,0,1,0,0|2,0,0]=4 16429 B12R2.24 Brc1cnc2c(c1)OCCO2 Amb13889671 [0,1,0,1,0,0|2,0,0]=4 16430 B12R2.24 C=C1CCc2ccccc2O1 Amb27210216 [0,1,0,1,0,0|0,0,1]=3 16431 B12R2.24 CC1=Cc2ccccc2CC1 Amb31292543 [0,1,0,1,0,0|1,0,1]=4 16432 B12R2.24 CC1CCc2ccccc2C1 Amb27232124 [0,1,0,1,0,0|1,0,0]=3 16433 B12R2.24 CC1CCc2ccccc2N1 Amb2792500 [0,1,0,1,0,0|1,0,0]=3 16434 B12R2.24 CC1CCc2ccccc2N1 Amb6773975 [0,1,0,1,0,0|1,0,0]=3 16435 B12R2.24 CC1CCc2ccccc2O1 Amb19515436 [0,1,0,1,0,0|0,0,0]=2 16436 B12R2.24 CC1CCc2cccnc2C1 Amb25187438 [0,1,0,1,0,0|2,0,0]=4 16437 B12R2.24 CC1CCc2ncccc2C1 Amb27474500 [0,1,0,1,0,0|2,0,0]=4 16438 B12R2.24 CC1CNc2ccccc2C1 Amb5745971 [0,1,0,1,0,0|1,0,0]=3 16439 B12R2.24 CC1CNc2ccccc2N1 Amb4138615 [0,1,0,1,0,0|2,0,0]=4 16440 B12R2.24 CC1CNc2ccccc2O1 Amb17097653 [0,1,0,1,0,0|1,0,0]=3 16441 B12R2.24 CC1CNc2ccccc2O1 Amb5716804 [0,1,0,1,0,0|1,0,0]=3 16442 B12R2.24 CC1CNc2ccccc2S1 Amb9173896 [0,1,0,1,0,0|1,1,0]=4 16443 B12R2.24 CC1CNc2cccnc2O1 Amb27242027 [0,1,0,1,0,0|2,0,0]=4 16444 B12R2.24 CC1CNc2ccncc2O1 Amb27624896 [0,1,0,1,0,0|2,0,0]=4 16445 B12R2.24 CC1CNc2ncccc2O1 Amb24709310 [0,1,0,1,0,0|2,0,0]=4 16446 B12R2.24 CC1COc2ccccc2N1 Amb3427952 [0,1,0,1,0,0|1,0,0]=3 16447 B12R2.24 CC1COc2ccccc2O1 Amb27762394 [0,1,0,1,0,0|1,0,0]=3 16448 B12R2.24 CC1COc2cccnc2N1 Amb25137304 [0,1,0,1,0,0|2,0,0]=4 16449 B12R2.24 CC1COc2cnccc2N1 Amb28368592 [0,1,0,1,0,0|2,0,0]=4 16450 B12R2.24 CC1COc2ncccc2N1 Amb27808562 [0,1,0,1,0,0|2,0,0]=4 16451 B12R2.24 CC1CSc2ccccc2N1 Amb20622496 [0,1,0,1,0,0|1,1,0]=4 16452 B12R2.24 CC1Cc2ccccc2C=N1 Amb27481551 [0,1,0,1,0,0|2,0,0]=4 16453 B12R2.24 CC1Cc2ccccc2CN1 Amb4125575 [0,1,0,1,0,0|2,0,0]=4 16454 B12R2.24 CC1Cc2ccccc2CO1 Amb27490040 [0,1,0,1,0,0|2,0,0]=4 16455 B12R2.24 CN1CCc2ccccc2C1 Amb22001820 [0,1,0,1,0,0|2,0,0]=4 16456 B12R2.24 CN1CCc2ccccc2C1 Amb2581727 [0,1,0,1,0,0|2,0,0]=4 16457 B12R2.24 CN1CNc2ccccc2C1 Amb27858302 [0,1,0,1,0,0|2,0,0]=4 16458 B12R2.24 C[C@@H]1CNc2ccccc2C1 Amb27975495 [0,1,0,1,0,0|1,0,0]=3 16459 B12R2.24 C[C@@H]1CNc2ccccc2N1 Amb25992852 [0,1,0,1,0,0|2,0,0]=4 16460 B12R2.24 C[C@@H]1Cc2ccccc2C=N1 Amb8388240 [0,1,0,1,0,0|2,0,0]=4 16461 B12R2.24 C[C@H]1CNc2ccccc2N1 Amb25348686 [0,1,0,1,0,0|2,0,0]=4 16462 B12R2.24 C[C@H]1COc2ccccc2N1 Amb28340950 [0,1,0,1,0,0|1,0,0]=3 16463 B12R2.24 Cc1cc2c(cn1)CCCC2 Amb21948319 [0,1,0,1,0,0|2,0,0]=4 16464 B12R2.24 Cc1cc2c(cn1)OCCN2 Amb27240015 [0,1,0,1,0,0|2,0,0]=4 16465 B12R2.24 Cc1ccc2c(c1)C=CCO2 Amb23441455 [0,1,0,1,0,0|0,0,2]=4 16466 B12R2.24 Cc1ccc2c(c1)C=NCC2 Amb22500760 [0,1,0,1,0,0|2,0,0]=4 16467 B12R2.24 Cc1ccc2c(c1)CCCC2 Amb17673387 [0,1,0,1,0,0|1,0,0]=3 16468 B12R2.24 Cc1ccc2c(c1)CCCN2 Amb22499776 [0,1,0,1,0,0|1,0,0]=3 16469 B12R2.24 Cc1ccc2c(c1)CCCN2 Amb3940149 [0,1,0,1,0,0|1,0,0]=3 16470 B12R2.24 Cc1ccc2c(c1)CCCO2 Amb13951730 [0,1,0,1,0,0|0,0,0]=2 16471 B12R2.24 Cc1ccc2c(c1)CCN=C2 Amb27257371 [0,1,0,1,0,0|2,0,0]=4 16472 B12R2.24 Cc1ccc2c(c1)CCNC2 Amb22500761 [0,1,0,1,0,0|2,0,0]=4 16473 B12R2.24 Cc1ccc2c(c1)CCNC2 Amb5735576 [0,1,0,1,0,0|2,0,0]=4 16474 B12R2.24 Cc1ccc2c(c1)CCOC2 Amb26448704 [0,1,0,1,0,0|2,0,0]=4 16475 B12R2.24 Cc1ccc2c(c1)CNCC2 Amb19515632 [0,1,0,1,0,0|2,0,0]=4 16476 B12R2.24 Cc1ccc2c(c1)CNCC2 Amb33532118 [0,1,0,1,0,0|2,0,0]=4 16477 B12R2.24 Cc1ccc2c(c1)COCC2 Amb27597176 [0,1,0,1,0,0|2,0,0]=4 16478 B12R2.24 Cc1ccc2c(c1)NCCC2 Amb1089737 [0,1,0,1,0,0|1,0,0]=3 16479 B12R2.24 Cc1ccc2c(c1)NCCC2 Amb22000879 [0,1,0,1,0,0|1,0,0]=3 16480 B12R2.24 Cc1ccc2c(c1)NCCO2 Amb22234866 [0,1,0,1,0,0|1,0,0]=3 16481 B12R2.24 Cc1ccc2c(c1)NCCO2 Amb2383451 [0,1,0,1,0,0|1,0,0]=3 16482 B12R2.24 Cc1ccc2c(c1)OCCN2 Amb17496858 [0,1,0,1,0,0|1,0,0]=3 16483 B12R2.24 Cc1ccc2c(c1)OCCO2 Amb22741143 [0,1,0,1,0,0|1,0,0]=3 16484 B12R2.24 Cc1ccc2c(c1)SCCN2 Amb22498966 [0,1,0,1,0,0|1,1,0]=4 16485 B12R2.24 Cc1ccc2c(n1)CCCC2 Amb8390331 [0,1,0,1,0,0|2,0,0]=4 16486 B12R2.24 Cc1ccc2c(n1)CCCN2 Amb24460718 [0,1,0,1,0,0|2,0,0]=4 16487 B12R2.24 Cc1ccc2c(n1)NCCC2 Amb10982585 [0,1,0,1,0,0|2,0,0]=4 16488 B12R2.24 Cc1ccc2c(n1)OCCN2 Amb22059721 [0,1,0,1,0,0|2,0,0]=4 16489 B12R2.24 Cc1cnc2c(c1)CCCC2 Amb4019506 [0,1,0,1,0,0|2,0,0]=4 16490 B12R2.24 Cc1cnc2c(c1)CCCN2 Amb10879389 [0,1,0,1,0,0|2,0,0]=4 16491 B12R2.24 Cc1cnc2c(c1)NCCO2 Amb22059623 [0,1,0,1,0,0|2,0,0]=4 16492 B12R2.24 Cc1cnc2c(c1)OCCN2 Amb24727299 [0,1,0,1,0,0|2,0,0]=4 16493 B12R2.24 ClC1CCc2ccccc2C1 Amb17672772 [0,1,0,1,0,0|1,0,0]=3 16494 B12R2.24 ClC1CCc2ncccc2C1 Amb35610795 [0,1,0,1,0,0|2,0,0]=4 16495 B12R2.24 Clc1cc2c(cn1)CCCC2 Amb19516978 [0,1,0,1,0,0|2,0,0]=4 16496 B12R2.24 Clc1cc2c(cn1)CCCN2 Amb26638975 [0,1,0,1,0,0|2,0,0]=4 16497 B12R2.24 Clc1cc2c(cn1)CCCN2 Amb32685278 [0,1,0,1,0,0|2,0,0]=4 16498 B12R2.24 Clc1cc2c(cn1)NCCO2 Amb4561024 [0,1,0,1,0,0|2,0,0]=4 16499 B12R2.24 Clc1cc2c(cn1)OCCN2 Amb24486945 [0,1,0,1,0,0|2,0,0]=4 16500 B12R2.24 Clc1ccc2c(c1)C=CCC2 Amb2383770 [0,1,0,1,0,0|1,0,1]=4 16501 B12R2.24 Clc1ccc2c(c1)C=CCO2 Amb22586260 [0,1,0,1,0,0|0,0,2]=4 16502 B12R2.24 Clc1ccc2c(c1)C=NCC2 Amb27423947 [0,1,0,1,0,0|2,0,0]=4 16503 B12R2.24 Clc1ccc2c(c1)CCC=C2 Amb28044105 [0,1,0,1,0,0|1,0,1]=4 16504 B12R2.24 Clc1ccc2c(c1)CCCC2 Amb26632344 [0,1,0,1,0,0|1,0,0]=3 16505 B12R2.24 Clc1ccc2c(c1)CCCN2 Amb1133229 [0,1,0,1,0,0|1,0,0]=3 16506 B12R2.24 Clc1ccc2c(c1)CCCN2 Amb31291284 [0,1,0,1,0,0|1,0,0]=3 16507 B12R2.24 Clc1ccc2c(c1)CCCO2 Amb22498254 [0,1,0,1,0,0|0,0,0]=2 16508 B12R2.24 Clc1ccc2c(c1)CCNC2 Amb10067199 [0,1,0,1,0,0|2,0,0]=4 16509 B12R2.24 Clc1ccc2c(c1)CCNC2 Amb21864875 [0,1,0,1,0,0|2,0,0]=4 16510 B12R2.24 Clc1ccc2c(c1)CNCC2 Amb20248082 [0,1,0,1,0,0|2,0,0]=4 16511 B12R2.24 Clc1ccc2c(c1)CNCC2 Amb2383359 [0,1,0,1,0,0|2,0,0]=4 16512 B12R2.24 Clc1ccc2c(c1)COCC2 Amb26326071 [0,1,0,1,0,0|2,0,0]=4 16513 B12R2.24 Clc1ccc2c(c1)NCCC2 Amb10576261 [0,1,0,1,0,0|1,0,0]=3 16514 B12R2.24 Clc1ccc2c(c1)NCCC2 Amb2383339 [0,1,0,1,0,0|1,0,0]=3 16515 B12R2.24 Clc1ccc2c(c1)NCCN2 Amb10605577 [0,1,0,1,0,0|2,0,0]=4 16516 B12R2.24 Clc1ccc2c(c1)NCCO2 Amb2383445 [0,1,0,1,0,0|1,0,0]=3 16517 B12R2.24 Clc1ccc2c(c1)NCCS2 Amb2371893 [0,1,0,1,0,0|1,1,0]=4 16518 B12R2.24 Clc1ccc2c(c1)NCCS2 Amb6892829 [0,1,0,1,0,0|1,1,0]=4 16519 B12R2.24 Clc1ccc2c(c1)OCCN2 Amb2792652 [0,1,0,1,0,0|1,0,0]=3 16520 B12R2.24 Clc1ccc2c(c1)OCCO2 Amb13951123 [0,1,0,1,0,0|1,0,0]=3 16521 B12R2.24 Clc1ccc2c(c1)SCCC2 Amb27171333 [0,1,0,1,0,0|0,1,0]=3 16522 B12R2.24 Clc1ccc2c(n1)CCCC2 Amb9782703 [0,1,0,1,0,0|2,0,0]=4 16523 B12R2.24 Clc1ccc2c(n1)CCCN2 Amb27607198 [0,1,0,1,0,0|2,0,0]=4 16524 B12R2.24 Clc1ccc2c(n1)NCCC2 Amb22753683 [0,1,0,1,0,0|2,0,0]=4 16525 B12R2.24 Clc1ccc2c(n1)NCCO2 Amb24509092 [0,1,0,1,0,0|2,0,0]=4 16526 B12R2.24 Clc1ccc2c(n1)OCCN2 Amb25922834 [0,1,0,1,0,0|2,0,0]=4 16527 B12R2.24 Clc1cnc2c(c1)CCCC2 Amb22500842 [0,1,0,1,0,0|2,0,0]=4 16528 B12R2.24 Clc1cnc2c(c1)CCCN2 Amb25042644 [0,1,0,1,0,0|2,0,0]=4 16529 B12R2.24 Clc1cnc2c(c1)NCCO2 Amb25347381 [0,1,0,1,0,0|2,0,0]=4 16530 B12R2.24 Clc1cnc2c(c1)OCCO2 Amb21959416 [0,1,0,1,0,0|2,0,0]=4 16531 B12R2.24 Clc1ncc2c(n1)CCCO2 Amb27398425 [0,1,0,1,0,0|2,0,0]=4 16532 B12R2.24 FC1=Cc2ccccc2CC1 Amb26441264 [0,1,0,1,0,0|1,0,1]=4 16533 B12R2.24 FC1CCc2ccccc2O1 Amb27668649 [0,1,0,1,0,0|0,0,0]=2 16534 B12R2.24 FC1COc2ccccc2C1 Amb28291388 [0,1,0,1,0,0|0,0,0]=2 16535 B12R2.24 Fc1ccc2c(c1)C=CCC2 Amb2383771 [0,1,0,1,0,0|1,0,1]=4 16536 B12R2.24 Fc1ccc2c(c1)C=CCO2 Amb25770785 [0,1,0,1,0,0|0,0,2]=4 16537 B12R2.24 Fc1ccc2c(c1)CCCC2 Amb25891545 [0,1,0,1,0,0|1,0,0]=3 16538 B12R2.24 Fc1ccc2c(c1)CCCN2 Amb33526449 [0,1,0,1,0,0|1,0,0]=3 16539 B12R2.24 Fc1ccc2c(c1)CCNC2 Amb21858227 [0,1,0,1,0,0|2,0,0]=4 16540 B12R2.24 Fc1ccc2c(c1)CCNC2 Amb33544811 [0,1,0,1,0,0|2,0,0]=4 16541 B12R2.24 Fc1ccc2c(c1)CNCC2 Amb19374000 [0,1,0,1,0,0|2,0,0]=4 16542 B12R2.24 Fc1ccc2c(c1)CNCC2 Amb2383360 [0,1,0,1,0,0|2,0,0]=4 16543 B12R2.24 Fc1ccc2c(c1)COCC2 Amb27147406 [0,1,0,1,0,0|2,0,0]=4 16544 B12R2.24 Fc1ccc2c(c1)NCCC2 Amb22586301 [0,1,0,1,0,0|1,0,0]=3 16545 B12R2.24 Fc1ccc2c(c1)NCCC2 Amb2383340 [0,1,0,1,0,0|1,0,0]=3 16546 B12R2.24 Fc1ccc2c(c1)NCCO2 Amb10603189 [0,1,0,1,0,0|1,0,0]=3 16547 B12R2.24 Fc1ccc2c(c1)NCCO2 Amb2383446 [0,1,0,1,0,0|1,0,0]=3 16548 B12R2.24 Fc1ccc2c(c1)NCCS2 Amb25713881 [0,1,0,1,0,0|1,1,0]=4 16549 B12R2.24 Fc1ccc2c(c1)OCC=C2 Amb24485991 [0,1,0,1,0,0|0,0,2]=4 16550 B12R2.24 Fc1ccc2c(c1)OCCC2 Amb25065166 [0,1,0,1,0,0|0,0,0]=2 16551 B12R2.24 Fc1ccc2c(c1)OCCN2 Amb10974785 [0,1,0,1,0,0|1,0,0]=3 16552 B12R2.24 Fc1ccc2c(c1)OCCO2 Amb22546380 [0,1,0,1,0,0|1,0,0]=3 16553 B12R2.24 Fc1ccc2c(c1)SCCC2 Amb25132871 [0,1,0,1,0,0|0,1,0]=3 16554 B12R2.24 Fc1ccc2c(c1)SCCN2 Amb28043545 [0,1,0,1,0,0|1,1,0]=4 16555 B12R2.24 Fc1ccc2c(n1)CCCC2 Amb24469968 [0,1,0,1,0,0|2,0,0]=4 16556 B12R2.24 Fc1ccc2c(n1)NCCC2 Amb27778068 [0,1,0,1,0,0|2,0,0]=4 16557 B12R2.24 Fc1ccc2c(n1)OCCN2 Amb27456428 [0,1,0,1,0,0|2,0,0]=4 16558 B12R2.24 Fc1cnc2c(c1)CCCC2 Amb26628263 [0,1,0,1,0,0|2,0,0]=4 16559 B12R2.24 Fc1cnc2c(c1)CCCO2 Amb13889669 [0,1,0,1,0,0|1,0,0]=3 16560 B12R2.24 Fc1cnc2c(c1)NCCC2 Amb28076122 [0,1,0,1,0,0|2,0,0]=4 16561 B12R2.24 IC1CCc2ccccc2C1 Amb33714903 [0,1,0,1,0,0|1,0,0]=3 16562 B12R2.24 IC1CNc2ccccc2C1 Amb27642673 [0,1,0,1,0,0|1,0,0]=3 16563 B12R2.24 Ic1ccc2c(c1)C=NCC2 Amb28350451 [0,1,0,1,0,0|2,0,0]=4 16564 B12R2.24 Ic1ccc2c(c1)CCCC2 Amb27402117 [0,1,0,1,0,0|1,0,0]=3 16565 B12R2.24 Ic1ccc2c(c1)CCCN2 Amb7785094 [0,1,0,1,0,0|1,0,0]=3 16566 B12R2.24 Ic1ccc2c(c1)CCCO2 Amb22498253 [0,1,0,1,0,0|0,0,0]=2 16567 B12R2.24 Ic1ccc2c(c1)CCCS2 Amb28188388 [0,1,0,1,0,0|0,1,0]=3 16568 B12R2.24 Ic1ccc2c(c1)CCNC2 Amb27259253 [0,1,0,1,0,0|2,0,0]=4 16569 B12R2.24 Ic1ccc2c(c1)CCOC2 Amb26056249 [0,1,0,1,0,0|2,0,0]=4 16570 B12R2.24 Ic1ccc2c(c1)CNCC2 Amb22490586 [0,1,0,1,0,0|2,0,0]=4 16571 B12R2.24 Ic1ccc2c(c1)CNCC2 Amb2383367 [0,1,0,1,0,0|2,0,0]=4 16572 B12R2.24 Ic1ccc2c(c1)COCC2 Amb28401523 [0,1,0,1,0,0|2,0,0]=4 16573 B12R2.24 Ic1ccc2c(c1)NCCC2 Amb2383346 [0,1,0,1,0,0|1,0,0]=3 16574 B12R2.24 Ic1ccc2c(c1)OCCO2 Amb2723025 [0,1,0,1,0,0|1,0,0]=3 16575 B12R2.24 Ic1ccc2c(c1)SCCC2 Amb27945711 [0,1,0,1,0,0|0,1,0]=3 16576 B12R2.24 Ic1ccc2c(n1)CCCC2 Amb28280986 [0,1,0,1,0,0|2,0,0]=4 16577 B12R2.24 Ic1ccc2c(n1)CCCO2 Amb21959447 [0,1,0,1,0,0|1,0,0]=3 16578 B12R2.24 Ic1ccc2c(n1)NCCO2 Amb21962491 [0,1,0,1,0,0|2,0,0]=4 16579 B12R2.24 Ic1ccc2c(n1)OCCN2 Amb13890275 [0,1,0,1,0,0|2,0,0]=4 16580 B12R2.24 Ic1ccc2c(n1)OCCO2 Amb13889672 [0,1,0,1,0,0|2,0,0]=4 16581 B12R2.24 Ic1cnc2c(c1)CCCO2 Amb21961014 [0,1,0,1,0,0|1,0,0]=3 16582 B12R2.24 Ic1cnc2c(c1)OCCO2 Amb13889674 [0,1,0,1,0,0|2,0,0]=4 16583 B12R2.24 NC1=Nc2ccccc2CC1 Amb2373583 [0,1,0,1,0,0|1,0,1]=4 16584 B12R2.24 NC1=Nc2ccccc2OC1 Amb18124903 [0,1,0,1,0,0|1,0,1]=4 16585 B12R2.24 NC1C=Cc2ccccc2C1 Amb17470378 [0,1,0,1,0,0|1,0,1]=4 16586 B12R2.24 NC1C=Cc2ccccc2O1 Amb24618074 [0,1,0,1,0,0|0,0,2]=4 16587 B12R2.24 NC1CCc2ccccc2C1 Amb13952050 [0,1,0,1,0,0|1,0,0]=3 16588 B12R2.24 NC1CCc2ccccc2C1 Amb2383251 [0,1,0,1,0,0|1,0,0]=3 16589 B12R2.24 NC1CCc2ccncc2C1 Amb18202204 [0,1,0,1,0,0|2,0,0]=4 16590 B12R2.24 NC1CCc2ncccc2C1 Amb19372737 [0,1,0,1,0,0|2,0,0]=4 16591 B12R2.24 NC1CCc2ncccc2C1 Amb32644752 [0,1,0,1,0,0|2,0,0]=4 16592 B12R2.24 NC1CCc2ncccc2C1 Amb7969885 [0,1,0,1,0,0|2,0,0]=4 16593 B12R2.24 NC1CNc2ccccc2C1 Amb2694925 [0,1,0,1,0,0|1,0,0]=3 16594 B12R2.24 NC1COc2ccccc2C1 Amb7969877 [0,1,0,1,0,0|0,0,0]=2 16595 B12R2.24 NC1COc2ccccc2C1 Amb9725226 [0,1,0,1,0,0|0,0,0]=2 16596 B12R2.24 NC1COc2ncccc2C1 Amb27482927 [0,1,0,1,0,0|1,0,0]=3 16597 B12R2.24 NN1CCc2ccccc2C1 Amb17232046 [0,1,0,1,0,0|2,0,0]=4 16598 B12R2.24 NN1CCc2ccccc2C1 Amb22495461 [0,1,0,1,0,0|2,0,0]=4 16599 B12R2.24 N[C@@H]1CCc2ccccc2C1 Amb25113422 [0,1,0,1,0,0|1,0,0]=3 16600 B12R2.24 N[C@@H]1COc2ccccc2C1 Amb23385337 [0,1,0,1,0,0|0,0,0]=2 16601 B12R2.24 N[C@@H]1COc2ccccc2C1 Amb24485980 [0,1,0,1,0,0|0,0,0]=2 16602 B12R2.24 N[C@H]1C=Cc2ccccc2C1 Amb27779859 [0,1,0,1,0,0|1,0,1]=4 16603 B12R2.24 N[C@H]1CCc2ccccc2C1 Amb8383954 [0,1,0,1,0,0|1,0,0]=3 16604 B12R2.24 N[C@H]1CCc2ncccc2C1 Amb27164290 [0,1,0,1,0,0|2,0,0]=4 16605 B12R2.24 N[C@H]1CNc2ccccc2C1 Amb27165152 [0,1,0,1,0,0|1,0,0]=3 16606 B12R2.24 N[C@H]1COc2ccccc2C1 Amb22756584 [0,1,0,1,0,0|0,0,0]=2 16607 B12R2.24 N[C@H]1COc2ccccc2C1 Amb28313694 [0,1,0,1,0,0|0,0,0]=2 16608 B12R2.24 N[C@H]1CSc2ccccc2C1 Amb27489034 [0,1,0,1,0,0|0,1,0]=3 16609 B12R2.24 Nc1cc2c(cn1)CCCC2 Amb18644367 [0,1,0,1,0,0|2,0,0]=4 16610 B12R2.24 Nc1cc2c(cn1)OCCC2 Amb18201906 [0,1,0,1,0,0|1,0,0]=3 16611 B12R2.24 Nc1cc2c(cn1)OCCC2 Amb28592533 [0,1,0,1,0,0|1,0,0]=3 16612 B12R2.24 Nc1cc2c(cn1)OCCO2 Amb26851752 [0,1,0,1,0,0|2,0,0]=4 16613 B12R2.24 Nc1cc2c(cn1)OCCO2 Amb32662956 [0,1,0,1,0,0|2,0,0]=4 16614 B12R2.24 Nc1ccc2c(c1)C=CCO2 Amb23441460 [0,1,0,1,0,0|0,0,2]=4 16615 B12R2.24 Nc1ccc2c(c1)C=NCC2 Amb25145814 [0,1,0,1,0,0|2,0,0]=4 16616 B12R2.24 Nc1ccc2c(c1)CCCC2 Amb1084712 [0,1,0,1,0,0|1,0,0]=3 16617 B12R2.24 Nc1ccc2c(c1)CCCN2 Amb17598307 [0,1,0,1,0,0|1,0,0]=3 16618 B12R2.24 Nc1ccc2c(c1)CCCN2 Amb6296581 [0,1,0,1,0,0|1,0,0]=3 16619 B12R2.24 Nc1ccc2c(c1)CCCO2 Amb13952453 [0,1,0,1,0,0|0,0,0]=2 16620 B12R2.24 Nc1ccc2c(c1)CCCS2 Amb18828001 [0,1,0,1,0,0|0,1,0]=3 16621 B12R2.24 Nc1ccc2c(c1)CCNC2 Amb2696948 [0,1,0,1,0,0|2,0,0]=4 16622 B12R2.24 Nc1ccc2c(c1)CCNC2 Amb33330119 [0,1,0,1,0,0|2,0,0]=4 16623 B12R2.24 Nc1ccc2c(c1)CCNC2 Amb8631282 [0,1,0,1,0,0|2,0,0]=4 16624 B12R2.24 Nc1ccc2c(c1)CCOC2 Amb22497220 [0,1,0,1,0,0|2,0,0]=4 16625 B12R2.24 Nc1ccc2c(c1)CCOC2 Amb32667122 [0,1,0,1,0,0|2,0,0]=4 16626 B12R2.24 Nc1ccc2c(c1)CCSC2 Amb27236342 [0,1,0,1,0,0|2,0,0]=4 16627 B12R2.24 Nc1ccc2c(c1)CNCC2 Amb2700185 [0,1,0,1,0,0|2,0,0]=4 16628 B12R2.24 Nc1ccc2c(c1)CNCC2 Amb2700191 [0,1,0,1,0,0|2,0,0]=4 16629 B12R2.24 Nc1ccc2c(c1)CNCC2 Amb8630467 [0,1,0,1,0,0|2,0,0]=4 16630 B12R2.24 Nc1ccc2c(c1)COCC2 Amb27839786 [0,1,0,1,0,0|2,0,0]=4 16631 B12R2.24 Nc1ccc2c(c1)NCCC2 Amb17598306 [0,1,0,1,0,0|1,0,0]=3 16632 B12R2.24 Nc1ccc2c(c1)NCCC2 Amb22494228 [0,1,0,1,0,0|1,0,0]=3 16633 B12R2.24 Nc1ccc2c(c1)NCCC2 Amb8387429 [0,1,0,1,0,0|1,0,0]=3 16634 B12R2.24 Nc1ccc2c(c1)NCCO2 Amb15695267 [0,1,0,1,0,0|1,0,0]=3 16635 B12R2.24 Nc1ccc2c(c1)NCCO2 Amb31308216 [0,1,0,1,0,0|1,0,0]=3 16636 B12R2.24 Nc1ccc2c(c1)NCCO2 Amb8388114 [0,1,0,1,0,0|1,0,0]=3 16637 B12R2.24 Nc1ccc2c(c1)NCCS2 Amb13881705 [0,1,0,1,0,0|1,1,0]=4 16638 B12R2.24 Nc1ccc2c(c1)OCCC2 Amb25324386 [0,1,0,1,0,0|0,0,0]=2 16639 B12R2.24 Nc1ccc2c(c1)OCCN2 Amb8388115 [0,1,0,1,0,0|1,0,0]=3 16640 B12R2.24 Nc1ccc2c(c1)OCCO2 Amb2539754 [0,1,0,1,0,0|1,0,0]=3 16641 B12R2.24 Nc1ccc2c(c1)OCCO2 Amb373423 [0,1,0,1,0,0|1,0,0]=3 16642 B12R2.24 Nc1ccc2c(n1)CCCC2 Amb9782704 [0,1,0,1,0,0|2,0,0]=4 16643 B12R2.24 Nc1ccc2c(n1)OCCO2 Amb26845570 [0,1,0,1,0,0|2,0,0]=4 16644 B12R2.24 Nc1ccc2c(n1)OCCO2 Amb32662864 [0,1,0,1,0,0|2,0,0]=4 16645 B12R2.24 Nc1cnc2c(c1)CCCC2 Amb18202201 [0,1,0,1,0,0|2,0,0]=4 16646 B12R2.24 Nc1cnc2c(c1)CCCN2 Amb26952591 [0,1,0,1,0,0|2,0,0]=4 16647 B12R2.24 Nc1cnc2c(c1)CCCO2 Amb21961016 [0,1,0,1,0,0|1,0,0]=3 16648 B12R2.24 Nc1cnc2c(c1)OCCO2 Amb21959405 [0,1,0,1,0,0|2,0,0]=4 16649 B12R2.24 O=C1C=CC2=C(CCCC2)N1 Amb17934277 [0,1,0,1,0,0|2,0,0]=4 16650 B12R2.24 O=C1C=CC2=C(CCCC2)O1 Amb19755766 [0,1,0,1,0,0|2,0,0]=4 16651 B12R2.24 O=C1CCc2ccccc2C1 Amb2383557 [0,1,0,1,0,0|0,0,2]=4 16652 B12R2.24 O=C1CCc2ccccc2N1 Amb6358187 [0,1,0,1,0,0|0,0,2]=4 16653 B12R2.24 O=C1CCc2ccccc2O1 Amb533490 [0,1,0,1,0,0|0,0,1]=3 16654 B12R2.24 O=C1CNc2ccccc2C1 Amb18202302 [0,1,0,1,0,0|1,0,1]=4 16655 B12R2.24 O=C1CNc2ccccc2O1 Amb22166855 [0,1,0,1,0,0|1,0,1]=4 16656 B12R2.24 O=C1COc2ccccc2C1 Amb15692703 [0,1,0,1,0,0|0,0,1]=3 16657 B12R2.24 O=C1COc2ccccc2N1 Amb1011836 [0,1,0,1,0,0|1,0,1]=4 16658 B12R2.24 O=C1COc2ccccc2O1 Amb2759474 [0,1,0,1,0,0|1,0,1]=4 16659 B12R2.24 O=C1CSc2ccccc2C1 Amb22231635 [0,1,0,1,0,0|0,1,1]=4 16660 B12R2.24 O=C1NCc2ccccc2O1 Amb27468708 [0,1,0,1,0,0|1,0,1]=4 16661 B12R2.24 OC1=Nc2ccccc2OC1 Amb22330533 [0,1,0,1,0,0|1,0,1]=4 16662 B12R2.24 OC1C=Cc2ccccc2S1 Amb27394776 [0,1,0,1,0,0|0,0,2]=4 16663 B12R2.24 OC1CCc2ccccc2C1 Amb2721268 [0,1,0,1,0,0|0,0,0]=2 16664 B12R2.24 OC1CCc2ccccc2N1 Amb27209313 [0,1,0,1,0,0|0,0,0]=2 16665 B12R2.24 OC1CCc2ccccc2O1 Amb22230405 [0,1,0,1,0,0|0,0,0]=2 16666 B12R2.24 OC1CCc2ncncc2C1 Amb22011598 [0,1,0,1,0,0|2,0,0]=4 16667 B12R2.24 OC1CN=C2C=CC=CN2C1 Amb17773345 [0,1,0,1,0,0|2,0,0]=4 16668 B12R2.24 OC1CN=C2C=CC=CN2C1 Amb17873523 [0,1,0,1,0,0|2,0,0]=4 16669 B12R2.24 OC1CNc2ccccc2C1 Amb33313463 [0,1,0,1,0,0|1,0,0]=3 16670 B12R2.24 OC1CNc2ccccc2C1 Amb33544228 [0,1,0,1,0,0|1,0,0]=3 16671 B12R2.24 OC1CNc2ccccc2O1 Amb24485948 [0,1,0,1,0,0|1,0,0]=3 16672 B12R2.24 OC1COc2ccccc2C1 Amb22498287 [0,1,0,1,0,0|0,0,0]=2 16673 B12R2.24 OC1COc2ccccc2O1 Amb10552971 [0,1,0,1,0,0|1,0,0]=3 16674 B12R2.24 OC1Cc2ccccc2CO1 Amb17593730 [0,1,0,1,0,0|1,0,0]=3 16675 B12R2.24 O[C@@H]1CCc2ccccc2C1 Amb25043599 [0,1,0,1,0,0|0,0,0]=2 16676 B12R2.24 O[C@@H]1CNc2ccccc2C1 Amb24426871 [0,1,0,1,0,0|1,0,0]=3 16677 B12R2.24 O[C@@H]1COc2ccccc2C1 Amb28321438 [0,1,0,1,0,0|0,0,0]=2 16678 B12R2.24 O[C@H]1CCc2ccccc2C1 Amb25149682 [0,1,0,1,0,0|0,0,0]=2 16679 B12R2.24 O[C@H]1CNc2ccccc2C1 Amb27617395 [0,1,0,1,0,0|1,0,0]=3 16680 B12R2.24 Oc1ccc2c(c1)C=CCC2 Amb28075248 [0,1,0,1,0,0|1,0,1]=4 16681 B12R2.24 Oc1ccc2c(c1)CCCC2 Amb2722872 [0,1,0,1,0,0|1,0,0]=3 16682 B12R2.24 Oc1ccc2c(c1)CCCN2 Amb2697247 [0,1,0,1,0,0|1,0,0]=3 16683 B12R2.24 Oc1ccc2c(c1)CCCO2 Amb18243510 [0,1,0,1,0,0|0,0,0]=2 16684 B12R2.24 Oc1ccc2c(c1)CCCS2 Amb28284889 [0,1,0,1,0,0|0,1,0]=3 16685 B12R2.24 Oc1ccc2c(c1)CCNC2 Amb15692387 [0,1,0,1,0,0|2,0,0]=4 16686 B12R2.24 Oc1ccc2c(c1)CCNC2 Amb17755303 [0,1,0,1,0,0|2,0,0]=4 16687 B12R2.24 Oc1ccc2c(c1)CCNC2 Amb2700183 [0,1,0,1,0,0|2,0,0]=4 16688 B12R2.24 Oc1ccc2c(c1)CCOC2 Amb25044546 [0,1,0,1,0,0|2,0,0]=4 16689 B12R2.24 Oc1ccc2c(c1)CNCC2 Amb17843849 [0,1,0,1,0,0|2,0,0]=4 16690 B12R2.24 Oc1ccc2c(c1)CNCC2 Amb19373281 [0,1,0,1,0,0|2,0,0]=4 16691 B12R2.24 Oc1ccc2c(c1)CNCC2 Amb7969715 [0,1,0,1,0,0|2,0,0]=4 16692 B12R2.24 Oc1ccc2c(c1)COCC2 Amb25682436 [0,1,0,1,0,0|2,0,0]=4 16693 B12R2.24 Oc1ccc2c(c1)NCCC2 Amb8387435 [0,1,0,1,0,0|1,0,0]=3 16694 B12R2.24 Oc1ccc2c(c1)NCCO2 Amb2698246 [0,1,0,1,0,0|1,0,0]=3 16695 B12R2.24 Oc1ccc2c(c1)NCCS2 Amb27798921 [0,1,0,1,0,0|1,1,0]=4 16696 B12R2.24 Oc1ccc2c(c1)OCC=C2 Amb27804492 [0,1,0,1,0,0|0,0,2]=4 16697 B12R2.24 Oc1ccc2c(c1)OCCC2 Amb18125116 [0,1,0,1,0,0|0,0,0]=2 16698 B12R2.24 Oc1ccc2c(c1)OCCN2 Amb22495584 [0,1,0,1,0,0|1,0,0]=3 16699 B12R2.24 Oc1ccc2c(c1)OCCO2 Amb1157176 [0,1,0,1,0,0|1,0,0]=3 16700 B12R2.24 Oc1ccc2c(c1)OCCS2 Amb28381286 [0,1,0,1,0,0|1,0,0]=3 16701 B12R2.24 Oc1ccc2c(c1)SCCN2 Amb27617318 [0,1,0,1,0,0|1,1,0]=4 16702 B12R2.24 Oc1ccc2c(c1)SCCO2 Amb22584035 [0,1,0,1,0,0|1,0,0]=3 16703 B12R2.24 Oc1ccc2c(n1)OCCN2 Amb27946520 [0,1,0,1,0,0|2,0,0]=4 16704 B12R2.24 Oc1cnc2c(c1)CCCC2 Amb22289552 [0,1,0,1,0,0|2,0,0]=4 16705 B12R2.24 Oc1cnc2c(c1)CCCN2 Amb28991403 [0,1,0,1,0,0|2,0,0]=4 16706 B12R2.24 Oc1cnc2c(c1)CCCO2 Amb26037495 [0,1,0,1,0,0|1,0,0]=3 16707 B12R2.24 Oc1cnc2c(c1)OCCO2 Amb19959863 [0,1,0,1,0,0|2,0,0]=4 16708 B12R2.24 S=C1CCc2ccccc2N1 Amb25700408 [0,1,0,1,0,0|0,1,1]=4 16709 B12R2.24 S=C1COc2ccccc2N1 Amb10070958 [0,1,0,1,0,0|1,0,1]=4 16710 B12R2.24 S=C1OCc2ccccc2O1 Amb28060956 [0,1,0,1,0,0|1,0,1]=4 16711 B12R2.24 SC1CCc2ccccc2C1 Amb17672773 [0,1,0,1,0,0|0,1,0]=3 16712 B12R2.24 SC1CCc2ncccc2C1 Amb32788347 [0,1,0,1,0,0|1,1,0]=4 16713 B12R2.24 SC1COc2ccccc2C1 Amb25949570 [0,1,0,1,0,0|0,0,0]=2 16714 B12R2.24 Sc1ccc2c(c1)CCCC2 Amb33528920 [0,1,0,1,0,0|1,0,0]=3 16715 B12R2.24 Sc1ccc2c(c1)CCCO2 Amb18180108 [0,1,0,1,0,0|0,0,0]=2 16716 B12R2.24 Sc1ccc2c(c1)CCCS2 Amb24509702 [0,1,0,1,0,0|0,1,0]=3 16717 B12R2.24 Sc1ccc2c(c1)CCOC2 Amb33266201 [0,1,0,1,0,0|2,0,0]=4 16718 B12R2.24 Sc1ccc2c(c1)NCCO2 Amb18664649 [0,1,0,1,0,0|1,0,0]=3 16719 B12R2.24 Sc1ccc2c(c1)OCCO2 Amb2370522 [0,1,0,1,0,0|1,0,0]=3 16720 B12R2.24 [O-][N+]1=Cc2ccccc2CC1 Amb27869931 [0,1,0,1,0,0|1,0,1]=4 16721 B12R2.79 Brc1ccc(C2CC2Br)nc1 Amb30009460 [0,1,0,1,0,0|2,0,0]=4 16722 B12R2.79 Brc1ccc([C@@H]2C[C@H]2Br)cc1 Amb27190975 [0,1,0,1,0,0|1,0,0]=3 16723 B12R2.79 Brc1ccc([C@@H]2C[C@H]2Br)nc1 Amb29854032 [0,1,0,1,0,0|2,0,0]=4 16724 B12R2.79 CC1CC1c2ccc(F)cc2 Amb24662198 [0,1,0,1,0,0|1,0,0]=3 16725 B12R2.79 CC1OC1c2ccc(F)cc2 Amb9710424 [0,1,0,1,0,0|2,0,0]=4 16726 B12R2.79 C[C@@H]1C[C@H]1c2ccc(F)cc2 Amb25911997 [0,1,0,1,0,0|1,0,0]=3 16727 B12R2.79 C[C@@H]1O[C@@H]1c2ccc(Br)cc2 Amb26578881 [0,1,0,1,0,0|2,0,0]=4 16728 B12R2.79 C[C@@H]1O[C@@H]1c2ccc(F)cc2 Amb24515103 [0,1,0,1,0,0|2,0,0]=4 16729 B12R2.79 C[C@@H]1O[C@H]1c2ccc(Cl)cc2 Amb33457818 [0,1,0,1,0,0|2,0,0]=4 16730 B12R2.79 C[C@@H]1O[C@H]1c2ccc(F)cc2 Amb32667398 [0,1,0,1,0,0|2,0,0]=4 16731 B12R2.79 C[C@H]1C[C@@H]1c2ccc(O)cc2 Amb27640651 [0,1,0,1,0,0|1,0,0]=3 16732 B12R2.79 Cc1ccc(C2CC2Br)cc1 Amb28118459 [0,1,0,1,0,0|1,0,0]=3 16733 B12R2.79 Cc1ccc(C2CC2N)cc1 Amb32664274 [0,1,0,1,0,0|1,0,0]=3 16734 B12R2.79 Cc1ccc(C2CC2N)cc1 Amb9677209 [0,1,0,1,0,0|1,0,0]=3 16735 B12R2.79 Cc1ccc(C2CC2N)cn1 Amb27841958 [0,1,0,1,0,0|2,0,0]=4 16736 B12R2.79 Cc1ccc(C2CC2N)nc1 Amb26940324 [0,1,0,1,0,0|2,0,0]=4 16737 B12R2.79 Cc1ccc(C2OC2Cl)cc1 Amb27816450 [0,1,0,1,0,0|2,0,0]=4 16738 B12R2.79 Cc1ccc([C@@H]2C[C@@H]2Br)cc1 Amb27439070 [0,1,0,1,0,0|1,0,0]=3 16739 B12R2.79 Cc1ccc([C@@H]2C[C@H]2Br)cc1 Amb26389107 [0,1,0,1,0,0|1,0,0]=3 16740 B12R2.79 Cc1ccc([C@@H]2C[C@H]2N)cc1 Amb24100233 [0,1,0,1,0,0|1,0,0]=3 16741 B12R2.79 Cc1ccc([C@@H]2C[C@H]2N)cc1 Amb28721264 [0,1,0,1,0,0|1,0,0]=3 16742 B12R2.79 Cc1ccc([C@@H]2C[C@H]2N)cn1 Amb32878620 [0,1,0,1,0,0|2,0,0]=4 16743 B12R2.79 Cc1ccc([C@@H]2C[C@H]2N)nc1 Amb33198869 [0,1,0,1,0,0|2,0,0]=4 16744 B12R2.79 Clc1ccc(C2CC2Br)cc1 Amb23454925 [0,1,0,1,0,0|1,0,0]=3 16745 B12R2.79 Clc1ccc(C2CC2Br)nc1 Amb29854093 [0,1,0,1,0,0|2,0,0]=4 16746 B12R2.79 Clc1ccc([C@@H]2C[C@H]2Br)cc1 Amb28363985 [0,1,0,1,0,0|1,0,0]=3 16747 B12R2.79 Clc1ccc([C@@H]2C[C@H]2Br)nc1 Amb29854092 [0,1,0,1,0,0|2,0,0]=4 16748 B12R2.79 Clc1ccc([C@@H]2C[C@H]2Cl)cc1 Amb27231822 [0,1,0,1,0,0|1,0,0]=3 16749 B12R2.79 Fc1ccc(C2CC2Br)cc1 Amb23454928 [0,1,0,1,0,0|1,0,0]=3 16750 B12R2.79 Fc1ccc([C@@H]2C[C@@H]2Br)cc1 Amb27448438 [0,1,0,1,0,0|1,0,0]=3 16751 B12R2.79 Fc1ccc([C@@H]2C[C@@H]2Cl)cc1 Amb27818091 [0,1,0,1,0,0|1,0,0]=3 16752 B12R2.79 Fc1ccc([C@@H]2C[C@H]2Cl)cc1 Amb27788419 [0,1,0,1,0,0|1,0,0]=3 16753 B12R2.79 NC1CC1c2ccc(Br)cc2 Amb19346488 [0,1,0,1,0,0|1,0,0]=3 16754 B12R2.79 NC1CC1c2ccc(Br)cc2 Amb9677215 [0,1,0,1,0,0|1,0,0]=3 16755 B12R2.79 NC1CC1c2ccc(Br)cn2 Amb25933755 [0,1,0,1,0,0|2,0,0]=4 16756 B12R2.79 NC1CC1c2ccc(Br)nc2 Amb33388492 [0,1,0,1,0,0|2,0,0]=4 16757 B12R2.79 NC1CC1c2ccc(Cl)cc2 Amb19373427 [0,1,0,1,0,0|1,0,0]=3 16758 B12R2.79 NC1CC1c2ccc(Cl)cc2 Amb9677201 [0,1,0,1,0,0|1,0,0]=3 16759 B12R2.79 NC1CC1c2ccc(Cl)cn2 Amb33053157 [0,1,0,1,0,0|2,0,0]=4 16760 B12R2.79 NC1CC1c2ccc(Cl)nc2 Amb33262381 [0,1,0,1,0,0|2,0,0]=4 16761 B12R2.79 NC1CC1c2ccc(F)cc2 Amb19514916 [0,1,0,1,0,0|1,0,0]=3 16762 B12R2.79 NC1CC1c2ccc(F)cc2 Amb9677217 [0,1,0,1,0,0|1,0,0]=3 16763 B12R2.79 NC1CC1c2ccc(F)cn2 Amb33172489 [0,1,0,1,0,0|2,0,0]=4 16764 B12R2.79 NC1CC1c2ccc(F)nc2 Amb32954586 [0,1,0,1,0,0|2,0,0]=4 16765 B12R2.79 NC1CC1c2ccc(I)cc2 Amb27954289 [0,1,0,1,0,0|1,0,0]=3 16766 B12R2.79 NC1CC1c2ccc(O)cc2 Amb17568133 [0,1,0,1,0,0|1,0,0]=3 16767 B12R2.79 NC1CC1c2ccc(O)cc2 Amb28465287 [0,1,0,1,0,0|1,0,0]=3 16768 B12R2.79 N[C@@H]1C[C@@H]1c2ccc(Br)cc2 Amb24763920 [0,1,0,1,0,0|1,0,0]=3 16769 B12R2.79 N[C@@H]1C[C@@H]1c2ccc(Cl)cc2 Amb27233381 [0,1,0,1,0,0|1,0,0]=3 16770 B12R2.79 N[C@@H]1C[C@@H]1c2ccc(Cl)cc2 Amb34915312 [0,1,0,1,0,0|1,0,0]=3 16771 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Br)cc2 Amb26432902 [0,1,0,1,0,0|1,0,0]=3 16772 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Br)cc2 Amb33473669 [0,1,0,1,0,0|1,0,0]=3 16773 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Br)cn2 Amb33477141 [0,1,0,1,0,0|2,0,0]=4 16774 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Br)nc2 Amb30869745 [0,1,0,1,0,0|2,0,0]=4 16775 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Br)nc2 Amb33240470 [0,1,0,1,0,0|2,0,0]=4 16776 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Cl)cc2 Amb24655057 [0,1,0,1,0,0|1,0,0]=3 16777 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Cl)cc2 Amb33032248 [0,1,0,1,0,0|1,0,0]=3 16778 B12R2.79 N[C@@H]1C[C@H]1c2ccc(Cl)nc2 Amb33261195 [0,1,0,1,0,0|2,0,0]=4 16779 B12R2.79 N[C@@H]1C[C@H]1c2ccc(F)cc2 Amb24100231 [0,1,0,1,0,0|1,0,0]=3 16780 B12R2.79 N[C@@H]1C[C@H]1c2ccc(F)cc2 Amb30628659 [0,1,0,1,0,0|1,0,0]=3 16781 B12R2.79 N[C@@H]1C[C@H]1c2ccc(F)cn2 Amb33316215 [0,1,0,1,0,0|2,0,0]=4 16782 B12R2.79 N[C@@H]1C[C@H]1c2ccc(F)nc2 Amb33426545 [0,1,0,1,0,0|2,0,0]=4 16783 B12R2.79 N[C@@H]1C[C@H]1c2ccc(F)nc2 Amb35751023 [0,1,0,1,0,0|2,0,0]=4 16784 B12R2.79 N[C@@H]1C[C@H]1c2ccc(O)cc2 Amb27630075 [0,1,0,1,0,0|1,0,0]=3 16785 B12R2.79 N[C@H]1C[C@@H]1c2ccc(Br)nc2 Amb33801620 [0,1,0,1,0,0|2,0,0]=4 16786 B12R2.79 N[C@H]1C[C@@H]1c2ccc(F)cc2 Amb25168877 [0,1,0,1,0,0|1,0,0]=3 16787 B12R2.79 N[C@H]1C[C@@H]1c2ccc(O)cc2 Amb33806315 [0,1,0,1,0,0|1,0,0]=3 16788 B12R2.79 N[C@H]1C[C@H]1c2ccc(O)cc2 Amb34915834 [0,1,0,1,0,0|1,0,0]=3 16789 B12R2.79 OC1CC1c2ccc(Cl)cc2 Amb27847198 [0,1,0,1,0,0|0,0,0]=2 16790 B12R2.132 BrC1CCc2ccc(I)cc21 Amb28143847 [0,1,0,1,0,0|1,0,0]=3 16791 B12R2.132 Brc1ccc2c(c1)C(Br)CC2 Amb24707166 [0,1,0,1,0,0|1,0,0]=3 16792 B12R2.132 CC1CNc2ccc(Br)cc21 Amb18561153 [0,1,0,1,0,0|2,0,0]=4 16793 B12R2.132 CC1CNc2ccc(Cl)cc21 Amb18063404 [0,1,0,1,0,0|2,0,0]=4 16794 B12R2.132 CC1CNc2ccc(F)cc21 Amb18063403 [0,1,0,1,0,0|2,0,0]=4 16795 B12R2.132 CC1CNc2ccc(N)cc21 Amb32658292 [0,1,0,1,0,0|2,0,0]=4 16796 B12R2.132 CC1CNc2ccc(O)cc21 Amb32658310 [0,1,0,1,0,0|2,0,0]=4 16797 B12R2.132 CC1NCc2ccc(Br)cc21 Amb25693070 [0,1,0,1,0,0|2,0,0]=4 16798 B12R2.132 CN1CCc2ccc(Br)cc21 Amb25087238 [0,1,0,1,0,0|2,0,0]=4 16799 B12R2.132 CN1CCc2ccc(N)cc21 Amb6683381 [0,1,0,1,0,0|2,0,0]=4 16800 B12R2.132 C[C@@H]1NCc2ccc(I)cc21 Amb27945710 [0,1,0,1,0,0|2,0,0]=4 16801 B12R2.132 C[C@H]1CCc2ccc(Cl)nc21 Amb27476012 [0,1,0,1,0,0|2,0,0]=4 16802 B12R2.132 C[C@H]1NCc2ccc(Br)cc21 Amb24642891 [0,1,0,1,0,0|2,0,0]=4 16803 B12R2.132 Cc1ccc2c(c1)B(O)OC2 Amb25777120 [0,1,0,1,0,0|2,0,0]=4 16804 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 Amb2781670 [0,1,0,1,0,0|0,0,2]=4 16805 B12R2.132 Cc1ccc2c(c1)C(C)CN2 Amb17040660 [0,1,0,1,0,0|2,0,0]=4 16806 B12R2.132 Cc1ccc2c(c1)C(Cl)CC2 Amb8630737 [0,1,0,1,0,0|1,0,0]=3 16807 B12R2.132 Cc1ccc2c(c1)C(N)CC2 Amb19301139 [0,1,0,1,0,0|1,0,0]=3 16808 B12R2.132 Cc1ccc2c(c1)C(N)CC2 Amb8630795 [0,1,0,1,0,0|1,0,0]=3 16809 B12R2.132 Cc1ccc2c(c1)C(N)CO2 Amb20626372 [0,1,0,1,0,0|2,0,0]=4 16810 B12R2.132 Cc1ccc2c(c1)C(N)CO2 Amb9735883 [0,1,0,1,0,0|2,0,0]=4 16811 B12R2.132 Cc1ccc2c(c1)C(O)CC2 Amb17087924 [0,1,0,1,0,0|0,0,0]=2 16812 B12R2.132 Cc1ccc2c(c1)C(O)CO2 Amb28383453 [0,1,0,1,0,0|1,0,0]=3 16813 B12R2.132 Cc1ccc2c(c1)C(S)CC2 Amb26657199 [0,1,0,1,0,0|0,1,0]=3 16814 B12R2.132 Cc1ccc2c(c1)[C@H](N)CC2 Amb25367187 [0,1,0,1,0,0|1,0,0]=3 16815 B12R2.132 Clc1ccc2c(c1)C(Br)CC2 Amb33538443 [0,1,0,1,0,0|1,0,0]=3 16816 B12R2.132 Clc1ccc2c(c1)C(Cl)CC2 Amb8630756 [0,1,0,1,0,0|1,0,0]=3 16817 B12R2.132 FC1CCc2ccc(Br)cc21 Amb27445274 [0,1,0,1,0,0|1,0,0]=3 16818 B12R2.132 FC1CCc2ccc(Cl)cc21 Amb27441335 [0,1,0,1,0,0|1,0,0]=3 16819 B12R2.132 Fc1ccc2c(c1)C(Br)CC2 Amb33538444 [0,1,0,1,0,0|1,0,0]=3 16820 B12R2.132 Fc1ccc2c(c1)C(Cl)CC2 Amb17087975 [0,1,0,1,0,0|1,0,0]=3 16821 B12R2.132 NC1CCc2ccc(Br)cc21 Amb22277084 [0,1,0,1,0,0|1,0,0]=3 16822 B12R2.132 NC1CCc2ccc(Br)cc21 Amb2383225 [0,1,0,1,0,0|1,0,0]=3 16823 B12R2.132 NC1CCc2ccc(Cl)cc21 Amb21964442 [0,1,0,1,0,0|1,0,0]=3 16824 B12R2.132 NC1CCc2ccc(Cl)cc21 Amb2383223 [0,1,0,1,0,0|1,0,0]=3 16825 B12R2.132 NC1CCc2ccc(Cl)nc21 Amb28365796 [0,1,0,1,0,0|2,0,0]=4 16826 B12R2.132 NC1CCc2ccc(F)cc21 Amb19373327 [0,1,0,1,0,0|1,0,0]=3 16827 B12R2.132 NC1CCc2ccc(F)cc21 Amb2383224 [0,1,0,1,0,0|1,0,0]=3 16828 B12R2.132 NC1CCc2ccc(I)cc21 Amb28240959 [0,1,0,1,0,0|1,0,0]=3 16829 B12R2.132 NC1CCc2ccc(O)cc21 Amb20241032 [0,1,0,1,0,0|1,0,0]=3 16830 B12R2.132 NC1CNc2ccc(F)cc21 Amb27209967 [0,1,0,1,0,0|2,0,0]=4 16831 B12R2.132 NC1COc2ccc(Br)cc21 Amb22751415 [0,1,0,1,0,0|2,0,0]=4 16832 B12R2.132 NC1COc2ccc(Br)cc21 Amb9735886 [0,1,0,1,0,0|2,0,0]=4 16833 B12R2.132 NC1COc2ccc(Cl)cc21 Amb20626373 [0,1,0,1,0,0|2,0,0]=4 16834 B12R2.132 NC1COc2ccc(Cl)cc21 Amb9735885 [0,1,0,1,0,0|2,0,0]=4 16835 B12R2.132 NC1COc2ccc(F)cc21 Amb33548698 [0,1,0,1,0,0|2,0,0]=4 16836 B12R2.132 NC1COc2ccc(F)cc21 Amb9735884 [0,1,0,1,0,0|2,0,0]=4 16837 B12R2.132 NC1CSc2ccc(Br)cc21 Amb33531789 [0,1,0,1,0,0|2,0,0]=4 16838 B12R2.132 NN1CCc2ccc(F)cc21 Amb18125382 [0,1,0,1,0,0|2,0,0]=4 16839 B12R2.132 N[C@@H]1CCc2ccc(Br)cc21 Amb25890526 [0,1,0,1,0,0|1,0,0]=3 16840 B12R2.132 N[C@@H]1CCc2ccc(Cl)nc21 Amb27183996 [0,1,0,1,0,0|2,0,0]=4 16841 B12R2.132 N[C@@H]1CCc2ccc(F)cc21 Amb16233798 [0,1,0,1,0,0|1,0,0]=3 16842 B12R2.132 N[C@@H]1CCc2ccc(F)cc21 Amb22388617 [0,1,0,1,0,0|1,0,0]=3 16843 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 Amb10608774 [0,1,0,1,0,0|1,0,0]=3 16844 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 Amb30869373 [0,1,0,1,0,0|1,0,0]=3 16845 B12R2.132 N[C@@H]1CCc2ncc(Br)cc21 Amb27633509 [0,1,0,1,0,0|2,0,0]=4 16846 B12R2.132 N[C@@H]1COc2ccc(Br)cc21 Amb24756687 [0,1,0,1,0,0|2,0,0]=4 16847 B12R2.132 N[C@@H]1COc2ccc(F)cc21 Amb26978831 [0,1,0,1,0,0|2,0,0]=4 16848 B12R2.132 N[C@H]1CCc2ccc(Br)cc21 Amb27441142 [0,1,0,1,0,0|1,0,0]=3 16849 B12R2.132 N[C@H]1CCc2ccc(F)cc21 Amb22288710 [0,1,0,1,0,0|1,0,0]=3 16850 B12R2.132 N[C@H]1CCc2ccc(F)cc21 Amb26976221 [0,1,0,1,0,0|1,0,0]=3 16851 B12R2.132 N[C@H]1CCc2ccc(O)cc21 Amb19929575 [0,1,0,1,0,0|1,0,0]=3 16852 B12R2.132 N[C@H]1CCc2ccc(O)cc21 Amb33623226 [0,1,0,1,0,0|1,0,0]=3 16853 B12R2.132 N[C@H]1COc2ccc(Br)cc21 Amb26056285 [0,1,0,1,0,0|2,0,0]=4 16854 B12R2.132 N[C@H]1COc2ccc(F)cc21 Amb26944792 [0,1,0,1,0,0|2,0,0]=4 16855 B12R2.132 N[C@H]1COc2ccc(F)cc21 Amb31291288 [0,1,0,1,0,0|2,0,0]=4 16856 B12R2.132 Nc1ccc2c(c1)B(O)OC2 Amb10068944 [0,1,0,1,0,0|2,0,0]=4 16857 B12R2.132 Nc1ccc2c(c1)B(O)OC2 Amb21963523 [0,1,0,1,0,0|2,0,0]=4 16858 B12R2.132 Nc1ccc2c(c1)C(=O)CC2 Amb10067747 [0,1,0,1,0,0|0,0,2]=4 16859 B12R2.132 Nc1ccc2c(c1)C(F)CC2 Amb27808587 [0,1,0,1,0,0|1,0,0]=3 16860 B12R2.132 Nc1ccc2c(c1)C(N)CC2 Amb26642909 [0,1,0,1,0,0|1,0,0]=3 16861 B12R2.132 Nc1ccc2c(c1)C(O)CC2 Amb22490266 [0,1,0,1,0,0|0,0,0]=2 16862 B12R2.132 Nc1ccc2c(c1)[C@@H](N)CC2 Amb19889682 [0,1,0,1,0,0|1,0,0]=3 16863 B12R2.132 Nc1ccc2c(c1)[C@H](N)CC2 Amb19889681 [0,1,0,1,0,0|1,0,0]=3 16864 B12R2.132 O=C1CCc2ccc(Br)cc21 Amb2383532 [0,1,0,1,0,0|0,0,2]=4 16865 B12R2.132 O=C1CCc2ccc(Cl)cc21 Amb2383530 [0,1,0,1,0,0|0,0,2]=4 16866 B12R2.132 O=C1CCc2ccc(F)cc21 Amb2383531 [0,1,0,1,0,0|0,0,2]=4 16867 B12R2.132 O=C1CCc2ccc(I)cc21 Amb10603865 [0,1,0,1,0,0|0,0,2]=4 16868 B12R2.132 O=C1CCc2ccc(O)cc21 Amb2612891 [0,1,0,1,0,0|0,0,2]=4 16869 B12R2.132 OB1OCc2ccc(Cl)cc21 Amb25330321 [0,1,0,1,0,0|2,0,0]=4 16870 B12R2.132 OB1OCc2ccc(F)cc21 Amb22497413 [0,1,0,1,0,0|2,0,0]=4 16871 B12R2.132 OB1OCc2ccc(O)cc21 Amb21964578 [0,1,0,1,0,0|2,0,0]=4 16872 B12R2.132 OB1OCc2ccc(S)cc21 Amb33715325 [0,1,0,1,0,0|2,0,0]=4 16873 B12R2.132 OC1CCc2ccc(Br)cc21 Amb17779324 [0,1,0,1,0,0|0,0,0]=2 16874 B12R2.132 OC1CCc2ccc(Cl)cc21 Amb8630738 [0,1,0,1,0,0|0,0,0]=2 16875 B12R2.132 OC1CCc2ccc(Cl)nc21 Amb16233494 [0,1,0,1,0,0|1,0,0]=3 16876 B12R2.132 OC1CCc2ccc(F)cc21 Amb17087925 [0,1,0,1,0,0|0,0,0]=2 16877 B12R2.132 OC1COc2ccc(Br)cc21 Amb22059757 [0,1,0,1,0,0|1,0,0]=3 16878 B12R2.132 OC1OCc2ccc(Br)cc21 Amb22751581 [0,1,0,1,0,0|1,0,0]=3 16879 B12R2.132 O[C@@H]1CCc2ccc(I)cc21 Amb28369043 [0,1,0,1,0,0|0,0,0]=2 16880 B12R2.132 Oc1ccc2c(c1)C(O)CO2 Amb27262935 [0,1,0,1,0,0|1,0,0]=3 16881 B12R2.132 Oc1ccc2c(c1)C(S)CC2 Amb32788617 [0,1,0,1,0,0|0,1,0]=3 16882 B12R2.132 Oc1ccc2c(c1)[C@H](O)CC2 Amb35615861 [0,1,0,1,0,0|0,0,0]=2 16883 B12R2.132 Oc1ccc2c(c1)[C@H](O)CO2 Amb27750231 [0,1,0,1,0,0|1,0,0]=3 16884 B12R2.132 SC1CCc2ccc(Br)cc21 Amb25150782 [0,1,0,1,0,0|0,1,0]=3 16885 B12R2.294 Brc1ccc(CC2CC2)cc1 Amb26855885 [0,1,0,1,0,0|1,0,0]=3 16886 B12R2.294 Brc1ccc(CC2CO2)cc1 Amb29880790 [0,1,0,1,0,0|0,0,0]=2 16887 B12R2.294 Brc1ccc(CC2CO2)cn1 Amb33388415 [0,1,0,1,0,0|1,0,0]=3 16888 B12R2.294 Brc1ccc(CC2CO2)nc1 Amb33477137 [0,1,0,1,0,0|1,0,0]=3 16889 B12R2.294 Brc1ccc(NC2CC2)cc1 Amb27873756 [0,1,0,1,0,0|2,0,0]=4 16890 B12R2.294 Brc1ccc(OC2CC2)cc1 Amb22227906 [0,1,0,1,0,0|2,0,0]=4 16891 B12R2.294 Brc1ccc(SC2CC2)cc1 Amb25942947 [0,1,0,1,0,0|2,0,0]=4 16892 B12R2.294 Brc1cnc(CC2CO2)nc1 Amb33334812 [0,1,0,1,0,0|2,0,0]=4 16893 B12R2.294 Cc1ccc(CC2CO2)cc1 Amb28076534 [0,1,0,1,0,0|0,0,0]=2 16894 B12R2.294 Cc1ccc(CC2CO2)cn1 Amb25139245 [0,1,0,1,0,0|1,0,0]=3 16895 B12R2.294 Cc1ccc(CC2CO2)nc1 Amb33198457 [0,1,0,1,0,0|1,0,0]=3 16896 B12R2.294 Cc1cnc(CC2CO2)cn1 Amb33374331 [0,1,0,1,0,0|2,0,0]=4 16897 B12R2.294 Clc1ccc(CC2CC2)cc1 Amb22751349 [0,1,0,1,0,0|1,0,0]=3 16898 B12R2.294 Clc1ccc(CC2CO2)cc1 Amb24712110 [0,1,0,1,0,0|0,0,0]=2 16899 B12R2.294 Clc1ccc(CC2CO2)cn1 Amb33261539 [0,1,0,1,0,0|1,0,0]=3 16900 B12R2.294 Clc1ccc(CC2CO2)nc1 Amb33058517 [0,1,0,1,0,0|1,0,0]=3 16901 B12R2.294 Clc1ccc(OC2CC2)cc1 Amb24406546 [0,1,0,1,0,0|2,0,0]=4 16902 B12R2.294 Clc1ccc(SC2CC2)cc1 Amb27759428 [0,1,0,1,0,0|2,0,0]=4 16903 B12R2.294 Fc1ccc(CC2CO2)cc1 Amb24390098 [0,1,0,1,0,0|0,0,0]=2 16904 B12R2.294 Fc1ccc(CC2CO2)cn1 Amb33425827 [0,1,0,1,0,0|1,0,0]=3 16905 B12R2.294 Fc1ccc(CC2CO2)nc1 Amb33315846 [0,1,0,1,0,0|1,0,0]=3 16906 B12R2.294 Fc1ccc(NC2CC2)cc1 Amb18267946 [0,1,0,1,0,0|2,0,0]=4 16907 B12R2.294 Fc1ccc(OC2CC2)cc1 Amb25829442 [0,1,0,1,0,0|2,0,0]=4 16908 B12R2.294 Fc1ccc(SC2CC2)cc1 Amb24591737 [0,1,0,1,0,0|2,0,0]=4 16909 B12R2.294 Ic1ccc(OC2CC2)cc1 Amb26611021 [0,1,0,1,0,0|2,0,0]=4 16910 B12R2.294 Nc1ccc(CC2CC2)cc1 Amb27251947 [0,1,0,1,0,0|1,0,0]=3 16911 B12R2.294 Nc1ccc(NC2CC2)cc1 Amb9205211 [0,1,0,1,0,0|2,0,0]=4 16912 B12R2.294 Nc1ccc(OC2CC2)cc1 Amb22011836 [0,1,0,1,0,0|2,0,0]=4 16913 B12R2.294 Oc1ccc(NC2CC2)cc1 Amb27207191 [0,1,0,1,0,0|2,0,0]=4 16914 B12R2.294 Oc1ccc(OC2CC2)cc1 Amb24738590 [0,1,0,1,0,0|2,0,0]=4 16915 B12R2.294 Oc1ccc(SC2CC2)cc1 Amb24487005 [0,1,0,1,0,0|2,0,0]=4 16916 B12R2.294 Sc1ccc(OC2CC2)cc1 Amb24484395 [0,1,0,1,0,0|2,0,0]=4 16917 B12R2.1175 C=C1C=CC2(C=C1)OCCO2 Amb25151338 [0,1,0,1,0,0|1,0,1]=4 16918 B12R2.1728 CNC1Cc2ccc(F)cc21 Amb32721669 [0,1,0,1,0,0|2,0,0]=4 16919 B12R2.1728 COC1Cc2ccc(Br)cc21 Amb27589726 [0,1,0,1,0,0|2,0,0]=4 16920 B12R2.1728 N#CC1Cc2ccc(Cl)cc21 Amb24627225 [0,1,0,1,0,0|1,0,1]=4 16921 B12R2.1728 N#CC1Cc2ccc(F)cc21 Amb26880120 [0,1,0,1,0,0|1,0,1]=4 16922 B12R2.1728 N#CC1Cc2ccc(N)cc21 Amb27803083 [0,1,0,1,0,0|1,0,1]=4 16923 B12R2.1728 NCC1Cc2ccc(F)cc21 Amb26416833 [0,1,0,1,0,0|1,0,0]=3 16924 B12R2.2302 Brc1ccc(C2CCC2)cc1 Amb20617091 [0,1,0,1,0,0|1,0,0]=3 16925 B12R2.2302 Brc1ccc(C2CCC2)cn1 Amb10600539 [0,1,0,1,0,0|2,0,0]=4 16926 B12R2.2302 Brc1ccc(C2CCC2)nc1 Amb10600813 [0,1,0,1,0,0|2,0,0]=4 16927 B12R2.2302 Brc1ccc(C2CCN2)cc1 Amb27867157 [0,1,0,1,0,0|1,0,0]=3 16928 B12R2.2302 Brc1ccc(C2CCN2)cc1 Amb30666626 [0,1,0,1,0,0|1,0,0]=3 16929 B12R2.2302 Brc1ccc(C2CCN2)cn1 Amb28068383 [0,1,0,1,0,0|2,0,0]=4 16930 B12R2.2302 Brc1ccc(C2CCN2)nc1 Amb25281396 [0,1,0,1,0,0|2,0,0]=4 16931 B12R2.2302 Brc1ccc(C2CCO2)cc1 Amb24414336 [0,1,0,1,0,0|0,0,0]=2 16932 B12R2.2302 Brc1ccc(C2CNC2)cc1 Amb18066312 [0,1,0,1,0,0|2,0,0]=4 16933 B12R2.2302 Brc1ccc(C2CNC2)cc1 Amb31291612 [0,1,0,1,0,0|2,0,0]=4 16934 B12R2.2302 Brc1ccc(C2COC2)cc1 Amb22737350 [0,1,0,1,0,0|2,0,0]=4 16935 B12R2.2302 Brc1ccc(N2CCC2)cc1 Amb27257916 [0,1,0,1,0,0|2,0,0]=4 16936 B12R2.2302 Brc1ccc([C@@H]2CCN2)nc1 Amb27971486 [0,1,0,1,0,0|2,0,0]=4 16937 B12R2.2302 Cc1ccc(C2CCN2)cc1 Amb28136157 [0,1,0,1,0,0|1,0,0]=3 16938 B12R2.2302 Cc1ccc(C2CCN2)cn1 Amb26887232 [0,1,0,1,0,0|2,0,0]=4 16939 B12R2.2302 Cc1ccc(C2CCN2)nc1 Amb26539818 [0,1,0,1,0,0|2,0,0]=4 16940 B12R2.2302 Cc1ccc(C2CNC2)cc1 Amb18065276 [0,1,0,1,0,0|2,0,0]=4 16941 B12R2.2302 Cc1ccc([C@H]2CCN2)cc1 Amb28189081 [0,1,0,1,0,0|1,0,0]=3 16942 B12R2.2302 Cc1ccc([C@H]2CCN2)cn1 Amb27617390 [0,1,0,1,0,0|2,0,0]=4 16943 B12R2.2302 Clc1ccc(C2CCN2)cc1 Amb19370175 [0,1,0,1,0,0|1,0,0]=3 16944 B12R2.2302 Clc1ccc(C2CCN2)cc1 Amb22059427 [0,1,0,1,0,0|1,0,0]=3 16945 B12R2.2302 Clc1ccc(C2CCN2)cn1 Amb28134608 [0,1,0,1,0,0|2,0,0]=4 16946 B12R2.2302 Clc1ccc(C2CCN2)nc1 Amb26887402 [0,1,0,1,0,0|2,0,0]=4 16947 B12R2.2302 Clc1ccc(C2CCO2)cc1 Amb24369540 [0,1,0,1,0,0|0,0,0]=2 16948 B12R2.2302 Clc1ccc(C2CNC2)cc1 Amb18563827 [0,1,0,1,0,0|2,0,0]=4 16949 B12R2.2302 Clc1ccc(C2CNC2)cc1 Amb30647365 [0,1,0,1,0,0|2,0,0]=4 16950 B12R2.2302 Clc1ccc(C2CNC2)cc1 Amb32662939 [0,1,0,1,0,0|2,0,0]=4 16951 B12R2.2302 Clc1ccc(C2COC2)cc1 Amb28369672 [0,1,0,1,0,0|2,0,0]=4 16952 B12R2.2302 Clc1ccc([C@H]2CCN2)nc1 Amb28146718 [0,1,0,1,0,0|2,0,0]=4 16953 B12R2.2302 Fc1ccc(C2=CCO2)cc1 Amb2719092 [0,1,0,1,0,0|0,0,2]=4 16954 B12R2.2302 Fc1ccc(C2CCN2)cc1 Amb9753209 [0,1,0,1,0,0|1,0,0]=3 16955 B12R2.2302 Fc1ccc(C2CCN2)cn1 Amb25721330 [0,1,0,1,0,0|2,0,0]=4 16956 B12R2.2302 Fc1ccc(C2CCN2)nc1 Amb27596082 [0,1,0,1,0,0|2,0,0]=4 16957 B12R2.2302 Fc1ccc(C2CNC2)cc1 Amb18065351 [0,1,0,1,0,0|2,0,0]=4 16958 B12R2.2302 Fc1ccc(C2CNC2)cc1 Amb20669054 [0,1,0,1,0,0|2,0,0]=4 16959 B12R2.2302 Fc1ccc(C2COC2)cc1 Amb22738672 [0,1,0,1,0,0|2,0,0]=4 16960 B12R2.2302 Fc1ccc([C@@H]2CCN2)cc1 Amb27788317 [0,1,0,1,0,0|1,0,0]=3 16961 B12R2.2302 Ic1ccc(C2CCC2)cc1 Amb35718448 [0,1,0,1,0,0|1,0,0]=3 16962 B12R2.2302 Ic1ccc(C2CCN2)cc1 Amb27795449 [0,1,0,1,0,0|1,0,0]=3 16963 B12R2.2302 Ic1ccc(C2CCN2)nc1 Amb27790808 [0,1,0,1,0,0|2,0,0]=4 16964 B12R2.2302 Nc1ccc(C2CCC2)cc1 Amb33527984 [0,1,0,1,0,0|1,0,0]=3 16965 B12R2.2302 Nc1ccc(C2CCC2)cc1 Amb34932708 [0,1,0,1,0,0|1,0,0]=3 16966 B12R2.2302 Nc1ccc(C2CCC2)cn1 Amb10600540 [0,1,0,1,0,0|2,0,0]=4 16967 B12R2.2302 Nc1ccc(C2CCC2)nc1 Amb10600814 [0,1,0,1,0,0|2,0,0]=4 16968 B12R2.2302 Nc1ccc(C2CCN2)cc1 Amb25843764 [0,1,0,1,0,0|1,0,0]=3 16969 B12R2.2302 Nc1ccc(C2CCO2)cc1 Amb25705796 [0,1,0,1,0,0|0,0,0]=2 16970 B12R2.2302 Nc1ccc(C2COC2)cc1 Amb22388448 [0,1,0,1,0,0|2,0,0]=4 16971 B12R2.2302 Nc1ccc(N2CCC2)cc1 Amb33543789 [0,1,0,1,0,0|2,0,0]=4 16972 B12R2.2302 Nc1ccc([C@H]2CCN2)nc1 Amb28076089 [0,1,0,1,0,0|2,0,0]=4 16973 B12R2.2302 Oc1ccc(C2CCC2)cc1 Amb20617093 [0,1,0,1,0,0|1,0,0]=3 16974 B12R2.2302 Oc1ccc(C2CCC2)cn1 Amb10600541 [0,1,0,1,0,0|2,0,0]=4 16975 B12R2.2302 Oc1ccc(C2CCC2)nc1 Amb10600815 [0,1,0,1,0,0|2,0,0]=4 16976 B12R2.2302 Oc1ccc(C2CCN2)cc1 Amb24533045 [0,1,0,1,0,0|1,0,0]=3 16977 B12R2.2302 Oc1ccc(C2CCO2)cc1 Amb33231206 [0,1,0,1,0,0|0,0,0]=2 16978 B12R2.2302 Oc1ccc(C2CNC2)cc1 Amb27398822 [0,1,0,1,0,0|2,0,0]=4 16979 B12R2.2302 Oc1ccc(C2COC2)cc1 Amb26373253 [0,1,0,1,0,0|2,0,0]=4 16980 B12R2.2302 Oc1ccc([C@@H]2CCN2)cc1 Amb28318514 [0,1,0,1,0,0|1,0,0]=3 16981 B12R2.2302 Oc1ccc([C@H]2CCN2)nc1 Amb27413014 [0,1,0,1,0,0|2,0,0]=4 16982 B12R2.2302 Sc1ccc([C@H]2CCN2)cc1 Amb27597984 [0,1,0,1,0,0|1,0,0]=3 16983 B12R2.2 C1=C(c2ccccc2)CCC1 Amb4317492 [0,1,0,1,0,0|1,0,0]=3 16984 B12R2.2 C1=C(c2ccccc2)CNC1 Amb22059494 [0,1,0,1,0,0|1,0,1]=4 16985 B12R2.2 C1=C(c2ccccc2)CNC1 Amb30584704 [0,1,0,1,0,0|1,0,1]=4 16986 B12R2.2 C1=C(c2ccccc2)NCC1 Amb17938860 [0,1,0,1,0,0|1,0,1]=4 16987 B12R2.2 C1=NC(c2cccnc2)CC1 Amb17616205 [0,1,0,1,0,0|2,0,0]=4 16988 B12R2.2 C1=NCCN1c2ccccc2 Amb22527125 [0,1,0,1,0,0|2,0,0]=4 16989 B12R2.2 C1=NNC(c2ccccc2)C1 Amb2797582 [0,1,0,1,0,0|1,0,1]=4 16990 B12R2.2 C1=N[C@@H](c2ccccc2)CN1 Amb27174575 [0,1,0,1,0,0|1,0,1]=4 16991 B12R2.2 c1cc(C2=NCCC2)ccn1 Amb10605642 [0,1,0,1,0,0|2,0,0]=4 16992 B12R2.2 c1cc(C2CCCN2)ccn1 Amb17659139 [0,1,0,1,0,0|2,0,0]=4 16993 B12R2.2 c1cc(C2CCCS2)ccn1 Amb19373819 [0,1,0,1,0,0|1,1,0]=4 16994 B12R2.2 c1cc(C2CCNC2)ccn1 Amb22233781 [0,1,0,1,0,0|2,0,0]=4 16995 B12R2.2 c1cc(C2CCNC2)ccn1 Amb33551300 [0,1,0,1,0,0|2,0,0]=4 16996 B12R2.2 c1cc(C2CCNC2)ccn1 Amb3940962 [0,1,0,1,0,0|2,0,0]=4 16997 B12R2.2 c1cc(C2CCOC2)ncn1 Amb33070127 [0,1,0,1,0,0|2,0,0]=4 16998 B12R2.2 c1cc(C2CNCO2)ccn1 Amb18065319 [0,1,0,1,0,0|1,0,0]=3 16999 B12R2.2 c1cc(C2NCCO2)ccn1 Amb17334300 [0,1,0,1,0,0|1,0,0]=3 17000 B12R2.2 c1cc(C2NCCS2)ccn1 Amb6751973 [0,1,0,1,0,0|1,1,0]=4 17001 B12R2.2 c1cc(C2OCCO2)ccn1 Amb17334309 [0,1,0,1,0,0|1,0,0]=3 17002 B12R2.2 c1cc(N2CCCC2)cc[nH+]1 Amb33512940 [0,1,0,1,0,0|2,0,0]=4 17003 B12R2.2 c1cc(N2CCCC2)ccn1 Amb2708565 [0,1,0,1,0,0|2,0,0]=4 17004 B12R2.2 c1cc(N2CCCN2)ccn1 Amb27776165 [0,1,0,1,0,0|2,0,0]=4 17005 B12R2.2 c1cc([C@@H]2CCCN2)ccn1 Amb26413775 [0,1,0,1,0,0|2,0,0]=4 17006 B12R2.2 c1cc([C@H]2CCCN2)ccn1 Amb26565678 [0,1,0,1,0,0|2,0,0]=4 17007 B12R2.2 c1ccc(B2OCCO2)nc1 Amb22490930 [0,1,0,1,0,0|2,0,0]=4 17008 B12R2.2 c1ccc(C2=NCCC2)cc1 Amb1106418 [0,1,0,1,0,0|1,0,0]=3 17009 B12R2.2 c1ccc(C2=NCCC2)nc1 Amb10606648 [0,1,0,1,0,0|2,0,0]=4 17010 B12R2.2 c1ccc(C2=NCCN2)cc1 Amb3940399 [0,1,0,1,0,0|1,0,1]=4 17011 B12R2.2 c1ccc(C2=NCCO2)cc1 Amb18063911 [0,1,0,1,0,0|0,0,1]=3 17012 B12R2.2 c1ccc(C2=NCCO2)nc1 Amb24100586 [0,1,0,1,0,0|1,0,1]=4 17013 B12R2.2 c1ccc(C2=NNCC2)cc1 Amb25354740 [0,1,0,1,0,0|1,0,1]=4 17014 B12R2.2 c1ccc(C2=NOCN2)cc1 Amb28120203 [0,1,0,1,0,0|1,0,1]=4 17015 B12R2.2 c1ccc(C2CCCC2)cc1 Amb9787161 [0,1,0,1,0,0|1,0,0]=3 17016 B12R2.2 c1ccc(C2CCCC2)nc1 Amb23589711 [0,1,0,1,0,0|2,0,0]=4 17017 B12R2.2 c1ccc(C2CCCN2)cc1 Amb10808365 [0,1,0,1,0,0|1,0,0]=3 17018 B12R2.2 c1ccc(C2CCCN2)cc1 Amb9702996 [0,1,0,1,0,0|1,0,0]=3 17019 B12R2.2 c1ccc(C2CCCN2)nc1 Amb21960411 [0,1,0,1,0,0|2,0,0]=4 17020 B12R2.2 c1ccc(C2CCCN2)nc1 Amb2235736 [0,1,0,1,0,0|2,0,0]=4 17021 B12R2.2 c1ccc(C2CCCN2)nc1 Amb30586497 [0,1,0,1,0,0|2,0,0]=4 17022 B12R2.2 c1ccc(C2CCCO2)cc1 Amb17334283 [0,1,0,1,0,0|0,0,0]=2 17023 B12R2.2 c1ccc(C2CCC[NH2+]2)cc1 Amb33512932 [0,1,0,1,0,0|1,0,0]=3 17024 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10069263 [0,1,0,1,0,0|1,0,0]=3 17025 B12R2.2 c1ccc(C2CCNC2)cc1 Amb10072809 [0,1,0,1,0,0|1,0,0]=3 17026 B12R2.2 c1ccc(C2CCNC2)cc1 Amb701982 [0,1,0,1,0,0|1,0,0]=3 17027 B12R2.2 c1ccc(C2CCNC2)nc1 Amb10808435 [0,1,0,1,0,0|2,0,0]=4 17028 B12R2.2 c1ccc(C2CCNC2)nc1 Amb32719303 [0,1,0,1,0,0|2,0,0]=4 17029 B12R2.2 c1ccc(C2CCNC2)nc1 Amb3941368 [0,1,0,1,0,0|2,0,0]=4 17030 B12R2.2 c1ccc(C2CCOC2)nc1 Amb24320768 [0,1,0,1,0,0|1,0,0]=3 17031 B12R2.2 c1ccc(C2CCSC2)cc1 Amb4140293 [0,1,0,1,0,0|0,1,0]=3 17032 B12R2.2 c1ccc(C2CC[NH2+]C2)cc1 Amb4258873 [0,1,0,1,0,0|1,0,0]=3 17033 B12R2.2 c1ccc(C2CNCO2)cc1 Amb18065307 [0,1,0,1,0,0|0,0,0]=2 17034 B12R2.2 c1ccc(C2CNCO2)nc1 Amb18065316 [0,1,0,1,0,0|1,0,0]=3 17035 B12R2.2 c1ccc(C2NCCN2)nc1 Amb27817731 [0,1,0,1,0,0|2,0,0]=4 17036 B12R2.2 c1ccc(C2NCCO2)cc1 Amb17334284 [0,1,0,1,0,0|0,0,0]=2 17037 B12R2.2 c1ccc(C2NCCO2)nc1 Amb17334298 [0,1,0,1,0,0|1,0,0]=3 17038 B12R2.2 c1ccc(C2NCCP2)cc1 Amb27606514 [0,1,0,1,0,0|1,0,0]=3 17039 B12R2.2 c1ccc(C2NCCS2)cc1 Amb3466213 [0,1,0,1,0,0|0,1,0]=3 17040 B12R2.2 c1ccc(C2OCCO2)cc1 Amb9786741 [0,1,0,1,0,0|0,0,0]=2 17041 B12R2.2 c1ccc(C2OCCO2)nc1 Amb17334307 [0,1,0,1,0,0|1,0,0]=3 17042 B12R2.2 c1ccc(C2SCCS2)cc1 Amb23401446 [0,1,0,1,0,0|0,1,0]=3 17043 B12R2.2 c1ccc(N2CCCC2)cc1 Amb8391946 [0,1,0,1,0,0|1,0,0]=3 17044 B12R2.2 c1ccc(N2CCCC2)nc1 Amb18269671 [0,1,0,1,0,0|2,0,0]=4 17045 B12R2.2 c1ccc(N2CCNC2)cc1 Amb27785561 [0,1,0,1,0,0|2,0,0]=4 17046 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb20241933 [0,1,0,1,0,0|1,0,0]=3 17047 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb8397178 [0,1,0,1,0,0|1,0,0]=3 17048 B12R2.2 c1ccc([C@@H]2CCCN2)nc1 Amb22802416 [0,1,0,1,0,0|2,0,0]=4 17049 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb19888399 [0,1,0,1,0,0|1,0,0]=3 17050 B12R2.2 c1ccc([C@@H]2CCNC2)cc1 Amb27617269 [0,1,0,1,0,0|1,0,0]=3 17051 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb20241932 [0,1,0,1,0,0|1,0,0]=3 17052 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb8397179 [0,1,0,1,0,0|1,0,0]=3 17053 B12R2.2 c1ccc([C@H]2CCCN2)nc1 Amb22754034 [0,1,0,1,0,0|2,0,0]=4 17054 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb19887561 [0,1,0,1,0,0|1,0,0]=3 17055 B12R2.2 c1ccc([C@H]2CCNC2)cc1 Amb24183516 [0,1,0,1,0,0|1,0,0]=3 17056 B12R2.2 c1ccc([C@H]2COCN2)cc1 Amb25877610 [0,1,0,1,0,0|1,0,0]=3 17057 B12R2.2 c1ccc([S+]2CCCC2)nc1 Amb2612713 [0,1,0,1,0,0|2,0,0]=4 17058 B12R2.2 c1cncc(C2=NCCC2)c1 Amb561332 [0,1,0,1,0,0|2,0,0]=4 17059 B12R2.2 c1cncc(C2=NCCO2)c1 Amb10813641 [0,1,0,1,0,0|1,0,1]=4 17060 B12R2.2 c1cncc(C2CCCC2)c1 Amb25121665 [0,1,0,1,0,0|2,0,0]=4 17061 B12R2.2 c1cncc(C2CCCN2)c1 Amb17659140 [0,1,0,1,0,0|2,0,0]=4 17062 B12R2.2 c1cncc(C2CCCN2)c1 Amb32409359 [0,1,0,1,0,0|2,0,0]=4 17063 B12R2.2 c1cncc(C2CCCS2)c1 Amb19373816 [0,1,0,1,0,0|1,1,0]=4 17064 B12R2.2 c1cncc(C2CCNC2)c1 Amb19958035 [0,1,0,1,0,0|2,0,0]=4 17065 B12R2.2 c1cncc(C2CCNC2)c1 Amb22490712 [0,1,0,1,0,0|2,0,0]=4 17066 B12R2.2 c1cncc(C2CCNC2)c1 Amb30647467 [0,1,0,1,0,0|2,0,0]=4 17067 B12R2.2 c1cncc(C2CCNC2)c1 Amb3938889 [0,1,0,1,0,0|2,0,0]=4 17068 B12R2.2 c1cncc(C2CCOC2)c1 Amb24320767 [0,1,0,1,0,0|1,0,0]=3 17069 B12R2.2 c1cncc(C2CNCO2)c1 Amb18065317 [0,1,0,1,0,0|1,0,0]=3 17070 B12R2.2 c1cncc(C2NCCO2)c1 Amb17334299 [0,1,0,1,0,0|1,0,0]=3 17071 B12R2.2 c1cncc(C2NCCS2)c1 Amb7605937 [0,1,0,1,0,0|1,1,0]=4 17072 B12R2.2 c1cncc(C2NNCO2)c1 Amb28249019 [0,1,0,1,0,0|2,0,0]=4 17073 B12R2.2 c1cncc(C2OCCO2)c1 Amb17334308 [0,1,0,1,0,0|1,0,0]=3 17074 B12R2.2 c1cncc(N2CCCC2)c1 Amb8394249 [0,1,0,1,0,0|2,0,0]=4 17075 B12R2.2 c1cncc([C@@H]2CCCN2)c1 Amb33871642 [0,1,0,1,0,0|2,0,0]=4 17076 B12R2.2 c1cncc([C@@H]2CCCN2)c1 Amb8630852 [0,1,0,1,0,0|2,0,0]=4 17077 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb22748224 [0,1,0,1,0,0|2,0,0]=4 17078 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb22899133 [0,1,0,1,0,0|2,0,0]=4 17079 B12R2.2 c1cncc([C@H]2CCCN2)c1 Amb31291285 [0,1,0,1,0,0|2,0,0]=4 17080 B12R2.2 c1cnnc(N2CCCO2)c1 Amb27198262 [0,1,0,1,0,0|2,0,0]=4 17081 B12R2.2 c1ncc(C2OCCO2)cn1 Amb25710715 [0,1,0,1,0,0|2,0,0]=4 17082 B12R2.2 c1ncc(C2OCCS2)cn1 Amb27865355 [0,1,0,1,0,0|2,0,0]=4 17083 B12R2.22 BrC1CC(c2ccccc2)C1 Amb27798250 [0,1,0,1,0,0|1,0,0]=3 17084 B12R2.22 Br[C@H]1C[C@@H](c2ccccc2)C1 Amb27166116 [0,1,0,1,0,0|1,0,0]=3 17085 B12R2.22 C=C1CC(c2ccccc2)C1 Amb35681149 [0,1,0,1,0,0|1,0,1]=4 17086 B12R2.22 ClC1CC(c2ccccc2)C1 Amb35733980 [0,1,0,1,0,0|1,0,0]=3 17087 B12R2.22 NC1CC(c2ccccc2)C1 Amb19514746 [0,1,0,1,0,0|1,0,0]=3 17088 B12R2.22 NC1CC(c2ccccc2)C1 Amb9496746 [0,1,0,1,0,0|1,0,0]=3 17089 B12R2.22 NC1CC(c2ccccn2)C1 Amb26370978 [0,1,0,1,0,0|2,0,0]=4 17090 B12R2.22 NC1CC(c2ccccn2)C1 Amb33295179 [0,1,0,1,0,0|2,0,0]=4 17091 B12R2.22 NC1CC(c2cccnc2)C1 Amb24178936 [0,1,0,1,0,0|2,0,0]=4 17092 B12R2.22 NC1CC(c2cccnc2)C1 Amb25313817 [0,1,0,1,0,0|2,0,0]=4 17093 B12R2.22 NC1CC(c2ccncc2)C1 Amb26975408 [0,1,0,1,0,0|2,0,0]=4 17094 B12R2.22 NC1CC(c2ccncc2)C1 Amb33456466 [0,1,0,1,0,0|2,0,0]=4 17095 B12R2.22 NC1CC(c2ccncc2)C1 Amb35788877 [0,1,0,1,0,0|2,0,0]=4 17096 B12R2.22 NC1CN(c2ccccc2)C1 Amb23598844 [0,1,0,1,0,0|2,0,0]=4 17097 B12R2.22 NC1CN(c2ccccc2)C1 Amb30869768 [0,1,0,1,0,0|2,0,0]=4 17098 B12R2.22 N[C@H]1C[C@@H](c2ccccc2)C1 Amb23439754 [0,1,0,1,0,0|1,0,0]=3 17099 B12R2.22 N[C@H]1C[C@@H](c2ccccc2)C1 Amb32653334 [0,1,0,1,0,0|1,0,0]=3 17100 B12R2.22 N[C@H]1C[C@@H](c2cccnc2)C1 Amb24178917 [0,1,0,1,0,0|2,0,0]=4 17101 B12R2.22 N[C@H]1C[C@@H](c2ccncc2)C1 Amb27176278 [0,1,0,1,0,0|2,0,0]=4 17102 B12R2.22 N[C@H]1C[C@@H](c2ccncc2)C1 Amb33677251 [0,1,0,1,0,0|2,0,0]=4 17103 B12R2.22 N[C@H]1C[C@H](c2ccccc2)C1 Amb23439755 [0,1,0,1,0,0|1,0,0]=3 17104 B12R2.22 N[C@H]1C[C@H](c2ccccc2)C1 Amb33473674 [0,1,0,1,0,0|1,0,0]=3 17105 B12R2.22 N[C@H]1C[C@H](c2ccccn2)C1 Amb27839832 [0,1,0,1,0,0|2,0,0]=4 17106 B12R2.22 N[C@H]1C[C@H](c2cccnc2)C1 Amb24178920 [0,1,0,1,0,0|2,0,0]=4 17107 B12R2.22 N[C@H]1C[C@H](c2cccnc2)C1 Amb28287764 [0,1,0,1,0,0|2,0,0]=4 17108 B12R2.22 N[C@H]1C[C@H](c2ccncc2)C1 Amb27440155 [0,1,0,1,0,0|2,0,0]=4 17109 B12R2.22 N[C@H]1C[C@H](c2ccncc2)C1 Amb33677250 [0,1,0,1,0,0|2,0,0]=4 17110 B12R2.22 O=C1CC(c2ccccc2)C1 Amb6739873 [0,1,0,1,0,0|0,0,2]=4 17111 B12R2.22 O=C1CC(c2ccccc2)N1 Amb1993905 [0,1,0,1,0,0|0,0,2]=4 17112 B12R2.22 OC1CC(c2ccccc2)C1 Amb33550604 [0,1,0,1,0,0|0,0,0]=2 17113 B12R2.22 OC1CC(c2ncccn2)C1 Amb35745149 [0,1,0,1,0,0|2,0,0]=4 17114 B12R2.22 OC1CN(c2ccccc2)C1 Amb23598700 [0,1,0,1,0,0|1,0,0]=3 17115 B12R2.22 OC1CN(c2cccnc2)C1 Amb23598855 [0,1,0,1,0,0|2,0,0]=4 17116 B12R2.22 O[C@H]1C[C@@H](c2ccccc2)C1 Amb27839916 [0,1,0,1,0,0|0,0,0]=2 17117 B12R2.22 O[C@H]1C[C@@H](c2ccncc2)C1 Amb27258016 [0,1,0,1,0,0|1,0,0]=3 17118 B12R2.22 O[C@H]1C[C@H](c2ccccc2)C1 Amb25749083 [0,1,0,1,0,0|0,0,0]=2 17119 B12R2.22 O[C@H]1C[C@H](c2ccccn2)C1 Amb27839913 [0,1,0,1,0,0|1,0,0]=3 17120 B12R2.22 O[C@H]1C[C@H](c2ccncc2)C1 Amb27802818 [0,1,0,1,0,0|1,0,0]=3 17121 B12R2.22 S=C1CC(c2ccccc2)N1 Amb28182509 [0,1,0,1,0,0|0,1,1]=4 17122 B12R2.22 SC1CC(c2ccccc2)C1 Amb24690234 [0,1,0,1,0,0|0,1,0]=3 17123 B12R2.27 BrCC1CC1c2ccccc2 Amb25099525 [0,1,0,1,0,0|1,0,0]=3 17124 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 Amb26055377 [0,1,0,1,0,0|1,0,0]=3 17125 B12R2.27 BrC[C@@H]1O[C@H]1c2ccccc2 Amb28249045 [0,1,0,1,0,0|1,0,0]=3 17126 B12R2.27 C#CC1OC1c2ccccc2 Amb28254723 [0,1,0,1,0,0|1,0,1]=4 17127 B12R2.27 C=CC1CC1c2ccccc2 Amb26889126 [0,1,0,1,0,0|1,0,0]=3 17128 B12R2.27 CC[C@@H]1O[C@H]1c2ccccc2 Amb27768002 [0,1,0,1,0,0|1,0,0]=3 17129 B12R2.27 CNC1CC1c2ccccc2 Amb18957298 [0,1,0,1,0,0|1,0,0]=3 17130 B12R2.27 CNC1CC1c2ccccc2 Amb20630184 [0,1,0,1,0,0|1,0,0]=3 17131 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb28056101 [0,1,0,1,0,0|1,0,0]=3 17132 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb33309625 [0,1,0,1,0,0|1,0,0]=3 17133 B12R2.27 ClC[C@@H]1O[C@@H]1c2ccccc2 Amb28457544 [0,1,0,1,0,0|1,0,0]=3 17134 B12R2.27 N#CC1CC1c2ccccc2 Amb17231961 [0,1,0,1,0,0|1,0,0]=3 17135 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 Amb25309014 [0,1,0,1,0,0|1,0,0]=3 17136 B12R2.27 N#C[C@H]1C[C@@H]1c2ccccc2 Amb27613258 [0,1,0,1,0,0|1,0,0]=3 17137 B12R2.27 NCC1CC1c2ccccc2 Amb17232030 [0,1,0,1,0,0|1,0,0]=3 17138 B12R2.27 NCC1CC1c2ccccc2 Amb19515036 [0,1,0,1,0,0|1,0,0]=3 17139 B12R2.27 NCC1CC1c2ccccn2 Amb18963618 [0,1,0,1,0,0|2,0,0]=4 17140 B12R2.27 NCC1CC1c2cccnc2 Amb17232044 [0,1,0,1,0,0|2,0,0]=4 17141 B12R2.27 NCC1CC1c2cccnc2 Amb33172856 [0,1,0,1,0,0|2,0,0]=4 17142 B12R2.27 NCC1CC1c2ccncc2 Amb18963616 [0,1,0,1,0,0|2,0,0]=4 17143 B12R2.27 NCC1OC1c2ccccc2 Amb25836323 [0,1,0,1,0,0|1,0,0]=3 17144 B12R2.27 NC[C@@H]1C[C@@H]1c2ccccc2 Amb34916191 [0,1,0,1,0,0|1,0,0]=3 17145 B12R2.27 NC[C@@H]1C[C@@H]1c2cccnc2 Amb34915991 [0,1,0,1,0,0|2,0,0]=4 17146 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb24514797 [0,1,0,1,0,0|1,0,0]=3 17147 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb32661485 [0,1,0,1,0,0|1,0,0]=3 17148 B12R2.27 NC[C@@H]1C[C@H]1c2ccccn2 Amb26887881 [0,1,0,1,0,0|2,0,0]=4 17149 B12R2.27 NC[C@@H]1C[C@H]1c2cccnc2 Amb25168891 [0,1,0,1,0,0|2,0,0]=4 17150 B12R2.27 NC[C@@H]1C[C@H]1c2cccnc2 Amb33172877 [0,1,0,1,0,0|2,0,0]=4 17151 B12R2.27 NC[C@@H]1C[C@H]1c2ccncc2 Amb25271512 [0,1,0,1,0,0|2,0,0]=4 17152 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb24606663 [0,1,0,1,0,0|1,0,0]=3 17153 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb32664390 [0,1,0,1,0,0|1,0,0]=3 17154 B12R2.27 NC[C@H]1C[C@@H]1c2ccncc2 Amb27440247 [0,1,0,1,0,0|2,0,0]=4 17155 B12R2.27 NC[C@H]1C[C@H]1c2ccccc2 Amb34916190 [0,1,0,1,0,0|1,0,0]=3 17156 B12R2.27 NC[C@H]1O[C@@H]1c2ccccc2 Amb27188182 [0,1,0,1,0,0|1,0,0]=3 17157 B12R2.27 O=CC1CC1c2ccccc2 Amb10844842 [0,1,0,1,0,0|0,0,1]=3 17158 B12R2.27 O=CC1CC1c2cccnc2 Amb27872437 [0,1,0,1,0,0|1,0,1]=4 17159 B12R2.27 O=CC1CC1c2ccncc2 Amb6572446 [0,1,0,1,0,0|1,0,1]=4 17160 B12R2.27 O=C[C@@H]1C[C@@H]1c2ccccc2 Amb26433208 [0,1,0,1,0,0|0,0,1]=3 17161 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 Amb25368620 [0,1,0,1,0,0|0,0,1]=3 17162 B12R2.27 O=C[C@@H]1O[C@H]1c2ccccc2 Amb26550113 [0,1,0,1,0,0|0,0,2]=4 17163 B12R2.27 O=C[C@H]1C[C@@H]1c2ccccc2 Amb27421992 [0,1,0,1,0,0|0,0,1]=3 17164 B12R2.27 O=C[C@H]1C[C@H]1c2ccccc2 Amb26548788 [0,1,0,1,0,0|0,0,1]=3 17165 B12R2.27 O=C[C@H]1O[C@@H]1c2ccccc2 Amb28195860 [0,1,0,1,0,0|0,0,2]=4 17166 B12R2.27 OCC1=C(c2ccccc2)N1 Amb28197190 [0,1,0,1,0,0|0,0,2]=4 17167 B12R2.27 OCC1CC1c2ccccc2 Amb17605543 [0,1,0,1,0,0|0,0,0]=2 17168 B12R2.27 OCC1CC1c2ccccn2 Amb23536863 [0,1,0,1,0,0|1,0,0]=3 17169 B12R2.27 OCC1CC1c2ccncc2 Amb23536862 [0,1,0,1,0,0|1,0,0]=3 17170 B12R2.27 OCC1CC1c2cnccn2 Amb35600862 [0,1,0,1,0,0|2,0,0]=4 17171 B12R2.27 OCC1C[C@@H]1c2ccccc2 Amb28182630 [0,1,0,1,0,0|0,0,0]=2 17172 B12R2.27 OCC1C[C@H]1c2ccccc2 Amb28207313 [0,1,0,1,0,0|0,0,0]=2 17173 B12R2.27 OCC1N=C1c2ccccc2 Amb26560371 [0,1,0,1,0,0|0,0,1]=3 17174 B12R2.27 OCC1OC1c2ccccc2 Amb24063567 [0,1,0,1,0,0|0,0,0]=2 17175 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 Amb25917153 [0,1,0,1,0,0|0,0,0]=2 17176 B12R2.27 OC[C@@H]1C[C@@H]1c2cccnc2 Amb22744875 [0,1,0,1,0,0|1,0,0]=3 17177 B12R2.27 OC[C@@H]1C[C@@H]1c2ccncc2 Amb27485910 [0,1,0,1,0,0|1,0,0]=3 17178 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 Amb28146004 [0,1,0,1,0,0|0,0,0]=2 17179 B12R2.27 OC[C@@H]1C[C@H]1c2ccccn2 Amb27968717 [0,1,0,1,0,0|1,0,0]=3 17180 B12R2.27 OC[C@H]1C[C@@H]1c2ccccc2 Amb3634122 [0,1,0,1,0,0|0,0,0]=2 17181 B12R2.27 OC[C@H]1C[C@@H]1c2ccccn2 Amb27428354 [0,1,0,1,0,0|1,0,0]=3 17182 B12R2.27 OC[C@H]1O[C@@H]1c2ccccc2 Amb20242388 [0,1,0,1,0,0|0,0,0]=2 17183 B12R2.27 OC[C@H]1O[C@H]1c2ccccc2 Amb27432251 [0,1,0,1,0,0|0,0,0]=2 17184 B12R2.116 CC1(c2ccccc2)CCN1 Amb27263594 [0,1,0,1,0,0|1,0,0]=3 17185 B12R2.116 CC1(c2ccccc2)CCO1 Amb22497354 [0,1,0,1,0,0|0,0,0]=2 17186 B12R2.116 CC1(c2ccccc2)CNC1 Amb18065223 [0,1,0,1,0,0|2,0,0]=4 17187 B12R2.116 CC1(c2ccccc2)CNC1 Amb33551677 [0,1,0,1,0,0|2,0,0]=4 17188 B12R2.116 CC1(c2ccccc2)COC1 Amb22497353 [0,1,0,1,0,0|2,0,0]=4 17189 B12R2.116 CC1(c2ccccn2)CCC1 Amb26066736 [0,1,0,1,0,0|2,0,0]=4 17190 B12R2.116 CC1(c2ccccn2)CCN1 Amb28424071 [0,1,0,1,0,0|2,0,0]=4 17191 B12R2.116 CC1(c2ccccn2)CCO1 Amb32642016 [0,1,0,1,0,0|1,0,0]=3 17192 B12R2.116 CC1(c2cccnc2)CCO1 Amb32642010 [0,1,0,1,0,0|1,0,0]=3 17193 B12R2.116 CC1(c2ccncc2)CCO1 Amb32642022 [0,1,0,1,0,0|1,0,0]=3 17194 B12R2.116 ClC1(c2ccccc2)CNC1 Amb27444675 [0,1,0,1,0,0|2,0,0]=4 17195 B12R2.116 FC1(c2ccccc2)CNC1 Amb26450082 [0,1,0,1,0,0|2,0,0]=4 17196 B12R2.116 FC1(c2ccccc2)CNC1 Amb28872317 [0,1,0,1,0,0|2,0,0]=4 17197 B12R2.116 FC1(c2ccccc2)COC1 Amb22738854 [0,1,0,1,0,0|2,0,0]=4 17198 B12R2.116 NC1(c2ccccc2)CCC1 Amb2371533 [0,1,0,1,0,0|1,0,0]=3 17199 B12R2.116 NC1(c2ccccc2)CCC1 Amb453192 [0,1,0,1,0,0|1,0,0]=3 17200 B12R2.116 NC1(c2ccccc2)CNC1 Amb24120649 [0,1,0,1,0,0|2,0,0]=4 17201 B12R2.116 NC1(c2ccccc2)COC1 Amb22386882 [0,1,0,1,0,0|2,0,0]=4 17202 B12R2.116 NC1(c2ccccc2)COC1 Amb33534183 [0,1,0,1,0,0|2,0,0]=4 17203 B12R2.116 NC1(c2ccccn2)CCC1 Amb25891423 [0,1,0,1,0,0|2,0,0]=4 17204 B12R2.116 NC1(c2cccnc2)CCC1 Amb22498055 [0,1,0,1,0,0|2,0,0]=4 17205 B12R2.116 NC1(c2cccnc2)CCC1 Amb35749840 [0,1,0,1,0,0|2,0,0]=4 17206 B12R2.116 NC1(c2ccncc2)CCC1 Amb22500386 [0,1,0,1,0,0|2,0,0]=4 17207 B12R2.116 OC1(c2ccccc2)CCC1 Amb33544160 [0,1,0,1,0,0|1,0,0]=3 17208 B12R2.116 OC1(c2ccccc2)CNC1 Amb22406135 [0,1,0,1,0,0|2,0,0]=4 17209 B12R2.116 OC1(c2ccccc2)CNC1 Amb22496452 [0,1,0,1,0,0|2,0,0]=4 17210 B12R2.116 OC1(c2ccccc2)CNC1 Amb32758790 [0,1,0,1,0,0|2,0,0]=4 17211 B12R2.116 OC1(c2ccccc2)COC1 Amb21960821 [0,1,0,1,0,0|2,0,0]=4 17212 B12R2.116 OC1(c2ccccc2)CSC1 Amb22386890 [0,1,0,1,0,0|2,0,0]=4 17213 B12R2.116 OC1(c2cccnc2)CCC1 Amb25123095 [0,1,0,1,0,0|2,0,0]=4 17214 B12R2.116 OC1(c2cccnc2)CCC1 Amb32665519 [0,1,0,1,0,0|2,0,0]=4 17215 B12R2.235 CC1(c2ccccc2)CC1Br Amb27184089 [0,1,0,1,0,0|1,0,0]=3 17216 B12R2.235 CC1(c2ccccc2)CC1N Amb18947391 [0,1,0,1,0,0|1,0,0]=3 17217 B12R2.235 CC1(c2ccccc2)CC1N Amb33549909 [0,1,0,1,0,0|1,0,0]=3 17218 B12R2.235 CC1(c2ccccc2)OC1Cl Amb27776758 [0,1,0,1,0,0|2,0,0]=4 17219 B12R2.235 CC1(c2cccnc2)CC1N Amb18947383 [0,1,0,1,0,0|2,0,0]=4 17220 B12R2.235 CC1CC1(N)c2ccncc2 Amb27806893 [0,1,0,1,0,0|2,0,0]=4 17221 B12R2.235 CC1CC1(O)c2ccccn2 Amb25149270 [0,1,0,1,0,0|2,0,0]=4 17222 B12R2.235 CC1CC1(O)c2ccncc2 Amb28064515 [0,1,0,1,0,0|2,0,0]=4 17223 B12R2.235 CC1OC1(O)c2ccccc2 Amb26510326 [0,1,0,1,0,0|2,0,0]=4 17224 B12R2.235 C[C@@]1(c2ccccc2)CC1Cl Amb27791824 [0,1,0,1,0,0|1,0,0]=3 17225 B12R2.235 C[C@@]1(c2ccccc2)C[C@@H]1Br Amb28053371 [0,1,0,1,0,0|1,0,0]=3 17226 B12R2.235 C[C@@]1(c2ccccc2)C[C@H]1Br Amb28053370 [0,1,0,1,0,0|1,0,0]=3 17227 B12R2.235 C[C@@]1(c2ccccc2)C[C@H]1Cl Amb28458446 [0,1,0,1,0,0|1,0,0]=3 17228 B12R2.235 C[C@@]1(c2ccccc2)O[C@@H]1Cl Amb27195805 [0,1,0,1,0,0|2,0,0]=4 17229 B12R2.235 NC1CC1(F)c2ccccc2 Amb32663945 [0,1,0,1,0,0|1,0,0]=3 17230 B12R2.235 NC1CC1(F)c2ccccc2 Amb8389488 [0,1,0,1,0,0|1,0,0]=3 17231 B12R2.931 BrCCC1Cc2ccccc21 Amb28060024 [0,1,0,1,0,0|1,0,0]=3 17232 B12R2.931 CCNC1Cc2ccccc21 Amb27840306 [0,1,0,1,0,0|1,0,0]=3 17233 B12R2.931 ClCCC1Cc2ccccc21 Amb27260584 [0,1,0,1,0,0|1,0,0]=3 17234 B12R2.931 N#CCC1Cc2ccccc21 Amb27780963 [0,1,0,1,0,0|1,0,0]=3 17235 B12R2.931 NCCC1=Cc2ccccc21 Amb27866978 [0,1,0,1,0,0|1,0,1]=4 17236 B12R2.931 OCCC1=Cc2ccccc21 Amb24414369 [0,1,0,1,0,0|0,0,1]=3 17237 B12R2.1081 BrC1=CCOc2ccccc21 Amb28385954 [0,1,0,1,0,0|0,0,2]=4 17238 B12R2.1081 BrC1CCCc2ccccc21 Amb8384413 [0,1,0,1,0,0|1,0,0]=3 17239 B12R2.1081 BrC1CCCc2cccnc21 Amb24680202 [0,1,0,1,0,0|2,0,0]=4 17240 B12R2.1081 BrC1CCNc2ccccc21 Amb26657292 [0,1,0,1,0,0|1,0,0]=3 17241 B12R2.1081 BrC1CCNc2ccncc21 Amb17748887 [0,1,0,1,0,0|2,0,0]=4 17242 B12R2.1081 BrC1CCOc2ccccc21 Amb9210662 [0,1,0,1,0,0|0,0,0]=2 17243 B12R2.1081 BrC1NCCc2ccccc21 Amb27176472 [0,1,0,1,0,0|1,0,0]=3 17244 B12R2.1081 BrC1OCCc2ccccc21 Amb23441457 [0,1,0,1,0,0|1,0,0]=3 17245 B12R2.1081 Brc1cccc2c1CCC=C2 Amb22500941 [0,1,0,1,0,0|1,0,1]=4 17246 B12R2.1081 Brc1cccc2c1CCCC2 Amb5494140 [0,1,0,1,0,0|1,0,0]=3 17247 B12R2.1081 Brc1cccc2c1CCCN2 Amb16231479 [0,1,0,1,0,0|1,0,0]=3 17248 B12R2.1081 Brc1cccc2c1CCCN2 Amb2383331 [0,1,0,1,0,0|1,0,0]=3 17249 B12R2.1081 Brc1cccc2c1CCCO2 Amb24081434 [0,1,0,1,0,0|0,0,0]=2 17250 B12R2.1081 Brc1cccc2c1CCCS2 Amb28292948 [0,1,0,1,0,0|0,1,0]=3 17251 B12R2.1081 Brc1cccc2c1CCN=C2 Amb26071625 [0,1,0,1,0,0|2,0,0]=4 17252 B12R2.1081 Brc1cccc2c1CCNC2 Amb33532120 [0,1,0,1,0,0|2,0,0]=4 17253 B12R2.1081 Brc1cccc2c1CCNC2 Amb8631550 [0,1,0,1,0,0|2,0,0]=4 17254 B12R2.1081 Brc1cccc2c1CCOC2 Amb26887629 [0,1,0,1,0,0|2,0,0]=4 17255 B12R2.1081 Brc1cccc2c1CNCC2 Amb10603937 [0,1,0,1,0,0|2,0,0]=4 17256 B12R2.1081 Brc1cccc2c1CNCC2 Amb18131355 [0,1,0,1,0,0|2,0,0]=4 17257 B12R2.1081 Brc1cccc2c1COCC2 Amb22886734 [0,1,0,1,0,0|2,0,0]=4 17258 B12R2.1081 Brc1cccc2c1COCO2 Amb26565178 [0,1,0,1,0,0|1,0,0]=3 17259 B12R2.1081 Brc1cccc2c1NCCC2 Amb1134947 [0,1,0,1,0,0|1,0,0]=3 17260 B12R2.1081 Brc1cccc2c1NCCC2 Amb13951989 [0,1,0,1,0,0|1,0,0]=3 17261 B12R2.1081 Brc1cccc2c1NCCO2 Amb28075686 [0,1,0,1,0,0|1,0,0]=3 17262 B12R2.1081 Brc1cccc2c1NCCS2 Amb22491567 [0,1,0,1,0,0|1,1,0]=4 17263 B12R2.1081 Brc1cccc2c1OCCC2 Amb18769314 [0,1,0,1,0,0|0,0,0]=2 17264 B12R2.1081 Brc1cccc2c1OCCN2 Amb21964594 [0,1,0,1,0,0|1,0,0]=3 17265 B12R2.1081 Brc1cccc2c1OCCN2 Amb2383437 [0,1,0,1,0,0|1,0,0]=3 17266 B12R2.1081 Brc1cccc2c1OCCO2 Amb20171376 [0,1,0,1,0,0|1,0,0]=3 17267 B12R2.1081 Brc1cccc2c1SCCC2 Amb18161542 [0,1,0,1,0,0|0,1,0]=3 17268 B12R2.1081 Brc1cccc2c1SCCN2 Amb25715188 [0,1,0,1,0,0|1,1,0]=4 17269 B12R2.1081 Brc1ccnc2c1CCCC2 Amb24519031 [0,1,0,1,0,0|2,0,0]=4 17270 B12R2.1081 Brc1ccnc2c1CCCN2 Amb26371025 [0,1,0,1,0,0|2,0,0]=4 17271 B12R2.1081 Brc1ccnc2c1OCCN2 Amb25070632 [0,1,0,1,0,0|2,0,0]=4 17272 B12R2.1081 Brc1cncc2c1CCCC2 Amb33549226 [0,1,0,1,0,0|2,0,0]=4 17273 B12R2.1081 Brc1cncc2c1CCCN2 Amb10602840 [0,1,0,1,0,0|2,0,0]=4 17274 B12R2.1081 Brc1cncc2c1CCCO2 Amb28384757 [0,1,0,1,0,0|1,0,0]=3 17275 B12R2.1081 Brc1cncc2c1NCCC2 Amb9174241 [0,1,0,1,0,0|2,0,0]=4 17276 B12R2.1081 Brc1cncc2c1NCCO2 Amb13890267 [0,1,0,1,0,0|2,0,0]=4 17277 B12R2.1081 Brc1cncc2c1OCCN2 Amb23403699 [0,1,0,1,0,0|2,0,0]=4 17278 B12R2.1081 Brc1nccc2c1CCCC2 Amb23439886 [0,1,0,1,0,0|2,0,0]=4 17279 B12R2.1081 C=C1CCCc2ccccc21 Amb25736652 [0,1,0,1,0,0|1,0,0]=3 17280 B12R2.1081 C=C1CCCc2cccnc21 Amb33164017 [0,1,0,1,0,0|2,0,0]=4 17281 B12R2.1081 C=C1CCNc2ccccc21 Amb27596012 [0,1,0,1,0,0|1,0,1]=4 17282 B12R2.1081 C=C1CCOc2ccccc21 Amb26360090 [0,1,0,1,0,0|0,0,1]=3 17283 B12R2.1081 CC1=CCCc2ccccc21 Amb2439915 [0,1,0,1,0,0|1,0,1]=4 17284 B12R2.1081 CC1=CCOc2ccccc21 Amb25694360 [0,1,0,1,0,0|0,0,2]=4 17285 B12R2.1081 CC1=NCCc2ccccc21 Amb17940779 [0,1,0,1,0,0|1,0,1]=4 17286 B12R2.1081 CC1=NCCc2ccccc21 Amb33446974 [0,1,0,1,0,0|1,0,1]=4 17287 B12R2.1081 CC1=NCCc2ccccc21 Amb8517423 [0,1,0,1,0,0|1,0,1]=4 17288 B12R2.1081 CC1CCCc2ccccc21 Amb22730060 [0,1,0,1,0,0|1,0,0]=3 17289 B12R2.1081 CC1CCCc2cccnc21 Amb26442760 [0,1,0,1,0,0|2,0,0]=4 17290 B12R2.1081 CC1CCCc2ncccc21 Amb27617300 [0,1,0,1,0,0|2,0,0]=4 17291 B12R2.1081 CC1CCNc2ccccc21 Amb7969716 [0,1,0,1,0,0|1,0,0]=3 17292 B12R2.1081 CC1CCNc2ccccc21 Amb9782720 [0,1,0,1,0,0|1,0,0]=3 17293 B12R2.1081 CC1CCNc2ncccc21 Amb26399114 [0,1,0,1,0,0|2,0,0]=4 17294 B12R2.1081 CC1CCOc2ccccc21 Amb28194294 [0,1,0,1,0,0|0,0,0]=2 17295 B12R2.1081 CC1CCOc2ccncc21 Amb28400483 [0,1,0,1,0,0|1,0,0]=3 17296 B12R2.1081 CC1CNCc2ccccc21 Amb17399906 [0,1,0,1,0,0|1,0,0]=3 17297 B12R2.1081 CC1CNCc2ccccc21 Amb22275944 [0,1,0,1,0,0|1,0,0]=3 17298 B12R2.1081 CC1COCc2ccccc21 Amb23580749 [0,1,0,1,0,0|1,0,0]=3 17299 B12R2.1081 CC1NCCc2ccccc21 Amb19514854 [0,1,0,1,0,0|1,0,0]=3 17300 B12R2.1081 CC1NCCc2ccccc21 Amb5735598 [0,1,0,1,0,0|1,0,0]=3 17301 B12R2.1081 CC1NCCc2ccncc21 Amb33483942 [0,1,0,1,0,0|2,0,0]=4 17302 B12R2.1081 CC1NCCc2ncccc21 Amb33544943 [0,1,0,1,0,0|2,0,0]=4 17303 B12R2.1081 CC1OCNc2ccccc21 Amb28118766 [0,1,0,1,0,0|2,0,0]=4 17304 B12R2.1081 CN1CCCc2ccccc21 Amb15692645 [0,1,0,1,0,0|1,0,0]=3 17305 B12R2.1081 CN1CCCc2cccnc21 Amb24538105 [0,1,0,1,0,0|2,0,0]=4 17306 B12R2.1081 CN1CCNc2ccccc21 Amb19957895 [0,1,0,1,0,0|2,0,0]=4 17307 B12R2.1081 CN1CCNc2ccccc21 Amb2383679 [0,1,0,1,0,0|2,0,0]=4 17308 B12R2.1081 CN1CCOc2ccccc21 Amb10569245 [0,1,0,1,0,0|1,0,0]=3 17309 B12R2.1081 CN1CCOc2cccnc21 Amb27487663 [0,1,0,1,0,0|2,0,0]=4 17310 B12R2.1081 C[C@@H]1CCCc2ncccc21 Amb27476144 [0,1,0,1,0,0|2,0,0]=4 17311 B12R2.1081 C[C@@H]1CNCc2ccccc21 Amb30594264 [0,1,0,1,0,0|1,0,0]=3 17312 B12R2.1081 C[C@@H]1NCCc2ccccc21 Amb22751772 [0,1,0,1,0,0|1,0,0]=3 17313 B12R2.1081 C[C@H]1NCCc2ccccc21 Amb28186683 [0,1,0,1,0,0|1,0,0]=3 17314 B12R2.1081 Cc1cccc2c1CCCC2 Amb22731111 [0,1,0,1,0,0|1,0,0]=3 17315 B12R2.1081 Cc1cccc2c1CCCN2 Amb19957907 [0,1,0,1,0,0|1,0,0]=3 17316 B12R2.1081 Cc1cccc2c1CCCN2 Amb2383335 [0,1,0,1,0,0|1,0,0]=3 17317 B12R2.1081 Cc1cccc2c1CCCO2 Amb27169746 [0,1,0,1,0,0|0,0,0]=2 17318 B12R2.1081 Cc1cccc2c1CCCS2 Amb27447859 [0,1,0,1,0,0|0,1,0]=3 17319 B12R2.1081 Cc1cccc2c1CCNC2 Amb19373251 [0,1,0,1,0,0|2,0,0]=4 17320 B12R2.1081 Cc1cccc2c1CCNC2 Amb2383355 [0,1,0,1,0,0|2,0,0]=4 17321 B12R2.1081 Cc1cccc2c1CCOC2 Amb24743009 [0,1,0,1,0,0|2,0,0]=4 17322 B12R2.1081 Cc1cccc2c1CNCC2 Amb17194044 [0,1,0,1,0,0|2,0,0]=4 17323 B12R2.1081 Cc1cccc2c1CNCC2 Amb22500762 [0,1,0,1,0,0|2,0,0]=4 17324 B12R2.1081 Cc1cccc2c1COCC2 Amb26594560 [0,1,0,1,0,0|2,0,0]=4 17325 B12R2.1081 Cc1cccc2c1NCCC2 Amb1107915 [0,1,0,1,0,0|1,0,0]=3 17326 B12R2.1081 Cc1cccc2c1NCCN2 Amb26362323 [0,1,0,1,0,0|2,0,0]=4 17327 B12R2.1081 Cc1cccc2c1NCCO2 Amb26399115 [0,1,0,1,0,0|1,0,0]=3 17328 B12R2.1081 Cc1cccc2c1NCCS2 Amb27794442 [0,1,0,1,0,0|1,1,0]=4 17329 B12R2.1081 Cc1cccc2c1OCCN2 Amb2383441 [0,1,0,1,0,0|1,0,0]=3 17330 B12R2.1081 Cc1ccnc2c1CCCC2 Amb27983518 [0,1,0,1,0,0|2,0,0]=4 17331 B12R2.1081 Cc1ccnc2c1CCCN2 Amb10879387 [0,1,0,1,0,0|2,0,0]=4 17332 B12R2.1081 Cc1ccnc2c1NCCO2 Amb27645441 [0,1,0,1,0,0|2,0,0]=4 17333 B12R2.1081 Cc1ccnc2c1OCCN2 Amb25114182 [0,1,0,1,0,0|2,0,0]=4 17334 B12R2.1081 ClC1=CCOc2ccccc21 Amb27194523 [0,1,0,1,0,0|0,0,2]=4 17335 B12R2.1081 ClC1CCCc2ccccc21 Amb9204490 [0,1,0,1,0,0|1,0,0]=3 17336 B12R2.1081 ClC1CCCc2cccnc21 Amb16234115 [0,1,0,1,0,0|2,0,0]=4 17337 B12R2.1081 ClC1CCCc2cccnc21 Amb32671478 [0,1,0,1,0,0|2,0,0]=4 17338 B12R2.1081 ClC1CCCc2cnccc21 Amb23412277 [0,1,0,1,0,0|2,0,0]=4 17339 B12R2.1081 ClC1CCCc2ncccc21 Amb25152726 [0,1,0,1,0,0|2,0,0]=4 17340 B12R2.1081 ClC1CCNc2ccccc21 Amb24636938 [0,1,0,1,0,0|1,0,0]=3 17341 B12R2.1081 ClC1CCOc2ccccc21 Amb33529009 [0,1,0,1,0,0|0,0,0]=2 17342 B12R2.1081 ClC1CCSc2ccccc21 Amb33529010 [0,1,0,1,0,0|0,1,0]=3 17343 B12R2.1081 ClC1COCc2ccccc21 Amb22490656 [0,1,0,1,0,0|1,0,0]=3 17344 B12R2.1081 ClC1CSCc2ccccc21 Amb27454843 [0,1,0,1,0,0|1,0,0]=3 17345 B12R2.1081 Cl[C@H]1CCCc2cccnc21 Amb27213220 [0,1,0,1,0,0|2,0,0]=4 17346 B12R2.1081 Clc1cccc2c1CCC=C2 Amb2383775 [0,1,0,1,0,0|1,0,1]=4 17347 B12R2.1081 Clc1cccc2c1CCCN2 Amb19957902 [0,1,0,1,0,0|1,0,0]=3 17348 B12R2.1081 Clc1cccc2c1CCCN2 Amb2383329 [0,1,0,1,0,0|1,0,0]=3 17349 B12R2.1081 Clc1cccc2c1CCCS2 Amb27184149 [0,1,0,1,0,0|0,1,0]=3 17350 B12R2.1081 Clc1cccc2c1CCNC2 Amb13948964 [0,1,0,1,0,0|2,0,0]=4 17351 B12R2.1081 Clc1cccc2c1CCNC2 Amb2383349 [0,1,0,1,0,0|2,0,0]=4 17352 B12R2.1081 Clc1cccc2c1CCOC2 Amb25974039 [0,1,0,1,0,0|2,0,0]=4 17353 B12R2.1081 Clc1cccc2c1CNCC2 Amb10067198 [0,1,0,1,0,0|2,0,0]=4 17354 B12R2.1081 Clc1cccc2c1CNCC2 Amb19889644 [0,1,0,1,0,0|2,0,0]=4 17355 B12R2.1081 Clc1cccc2c1NCCC2 Amb1140461 [0,1,0,1,0,0|1,0,0]=3 17356 B12R2.1081 Clc1cccc2c1NCCC2 Amb19373263 [0,1,0,1,0,0|1,0,0]=3 17357 B12R2.1081 Clc1cccc2c1NCCO2 Amb25991021 [0,1,0,1,0,0|1,0,0]=3 17358 B12R2.1081 Clc1cccc2c1OCC=C2 Amb22586336 [0,1,0,1,0,0|0,0,2]=4 17359 B12R2.1081 Clc1cccc2c1OCCC2 Amb27831935 [0,1,0,1,0,0|0,0,0]=2 17360 B12R2.1081 Clc1cccc2c1OCCN2 Amb2383435 [0,1,0,1,0,0|1,0,0]=3 17361 B12R2.1081 Clc1cccc2c1SCCC2 Amb28203721 [0,1,0,1,0,0|0,1,0]=3 17362 B12R2.1081 Clc1ccnc2c1CCCC2 Amb21857662 [0,1,0,1,0,0|2,0,0]=4 17363 B12R2.1081 Clc1ccnc2c1CCCN2 Amb24395295 [0,1,0,1,0,0|2,0,0]=4 17364 B12R2.1081 Clc1ccnc2c1NCCO2 Amb25765845 [0,1,0,1,0,0|2,0,0]=4 17365 B12R2.1081 Clc1ccnc2c1OCCO2 Amb13889675 [0,1,0,1,0,0|2,0,0]=4 17366 B12R2.1081 Clc1cncc2c1OCCN2 Amb25150559 [0,1,0,1,0,0|2,0,0]=4 17367 B12R2.1081 Clc1nccc2c1CCCC2 Amb24684179 [0,1,0,1,0,0|2,0,0]=4 17368 B12R2.1081 Clc1nccc2c1CCCN2 Amb20171367 [0,1,0,1,0,0|2,0,0]=4 17369 B12R2.1081 Clc1nccc2c1NCCC2 Amb22756341 [0,1,0,1,0,0|2,0,0]=4 17370 B12R2.1081 Clc1nccc2c1NCCO2 Amb21964225 [0,1,0,1,0,0|2,0,0]=4 17371 B12R2.1081 Clc1nccc2c1OCCN2 Amb22899316 [0,1,0,1,0,0|2,0,0]=4 17372 B12R2.1081 Clc1nncc2c1CCCO2 Amb27425193 [0,1,0,1,0,0|2,0,0]=4 17373 B12R2.1081 FC1=CCCc2ccccc21 Amb27482090 [0,1,0,1,0,0|1,0,1]=4 17374 B12R2.1081 FC1CCNc2ccccc21 Amb28079527 [0,1,0,1,0,0|1,0,0]=3 17375 B12R2.1081 FC1CNCc2ccccc21 Amb10841578 [0,1,0,1,0,0|1,0,0]=3 17376 B12R2.1081 Fc1cccc2c1CC=CO2 Amb25243428 [0,1,0,1,0,0|0,0,2]=4 17377 B12R2.1081 Fc1cccc2c1CCC=C2 Amb2383776 [0,1,0,1,0,0|1,0,1]=4 17378 B12R2.1081 Fc1cccc2c1CCCN2 Amb19958505 [0,1,0,1,0,0|1,0,0]=3 17379 B12R2.1081 Fc1cccc2c1CCCN2 Amb2383330 [0,1,0,1,0,0|1,0,0]=3 17380 B12R2.1081 Fc1cccc2c1CCNC2 Amb21858226 [0,1,0,1,0,0|2,0,0]=4 17381 B12R2.1081 Fc1cccc2c1CCNC2 Amb33532115 [0,1,0,1,0,0|2,0,0]=4 17382 B12R2.1081 Fc1cccc2c1CCOC2 Amb25773904 [0,1,0,1,0,0|2,0,0]=4 17383 B12R2.1081 Fc1cccc2c1CNCC2 Amb17194043 [0,1,0,1,0,0|2,0,0]=4 17384 B12R2.1081 Fc1cccc2c1CNCC2 Amb22232787 [0,1,0,1,0,0|2,0,0]=4 17385 B12R2.1081 Fc1cccc2c1NCCC2 Amb1108527 [0,1,0,1,0,0|1,0,0]=3 17386 B12R2.1081 Fc1cccc2c1NCCC2 Amb13951184 [0,1,0,1,0,0|1,0,0]=3 17387 B12R2.1081 Fc1cccc2c1NCCN2 Amb27780389 [0,1,0,1,0,0|2,0,0]=4 17388 B12R2.1081 Fc1cccc2c1NCCO2 Amb18831161 [0,1,0,1,0,0|1,0,0]=3 17389 B12R2.1081 Fc1cccc2c1OCC=C2 Amb22586337 [0,1,0,1,0,0|0,0,2]=4 17390 B12R2.1081 Fc1cccc2c1OCCC2 Amb24554425 [0,1,0,1,0,0|0,0,0]=2 17391 B12R2.1081 Fc1cccc2c1OCCN2 Amb2383436 [0,1,0,1,0,0|1,0,0]=3 17392 B12R2.1081 Fc1cccc2c1OCCO2 Amb26877785 [0,1,0,1,0,0|1,0,0]=3 17393 B12R2.1081 Fc1cccc2c1SCCN2 Amb27849615 [0,1,0,1,0,0|1,1,0]=4 17394 B12R2.1081 IC1CCCc2ccccc21 Amb33714900 [0,1,0,1,0,0|1,0,0]=3 17395 B12R2.1081 IC1CCCc2cccnc21 Amb32685579 [0,1,0,1,0,0|2,0,0]=4 17396 B12R2.1081 IC1CCNc2ccccc21 Amb24754405 [0,1,0,1,0,0|1,0,0]=3 17397 B12R2.1081 IC1CCOc2ccccc21 Amb28060969 [0,1,0,1,0,0|0,0,0]=2 17398 B12R2.1081 Ic1cccc2c1CCCC2 Amb8839224 [0,1,0,1,0,0|1,0,0]=3 17399 B12R2.1081 Ic1cccc2c1CCNC2 Amb2383357 [0,1,0,1,0,0|2,0,0]=4 17400 B12R2.1081 Ic1cccc2c1CNCC2 Amb24756500 [0,1,0,1,0,0|2,0,0]=4 17401 B12R2.1081 Ic1cccc2c1COCC2 Amb25324648 [0,1,0,1,0,0|2,0,0]=4 17402 B12R2.1081 Ic1cccc2c1OCCC2 Amb25875739 [0,1,0,1,0,0|0,0,0]=2 17403 B12R2.1081 Ic1cccc2c1OCCN2 Amb2383443 [0,1,0,1,0,0|1,0,0]=3 17404 B12R2.1081 Ic1cccc2c1OCCO2 Amb22499097 [0,1,0,1,0,0|1,0,0]=3 17405 B12R2.1081 Ic1ccnc2c1CCCN2 Amb27951650 [0,1,0,1,0,0|2,0,0]=4 17406 B12R2.1081 Ic1ccnc2c1OCCO2 Amb13889673 [0,1,0,1,0,0|2,0,0]=4 17407 B12R2.1081 Ic1cncc2c1OCCC2 Amb13889665 [0,1,0,1,0,0|1,0,0]=3 17408 B12R2.1081 Ic1nccc2c1OCCO2 Amb27439493 [0,1,0,1,0,0|2,0,0]=4 17409 B12R2.1081 NC1CCCc2ccccc21 Amb24273096 [0,1,0,1,0,0|1,0,0]=3 17410 B12R2.1081 NC1CCCc2ccccc21 Amb5716841 [0,1,0,1,0,0|1,0,0]=3 17411 B12R2.1081 NC1CCCc2ccccc21 Amb6334842 [0,1,0,1,0,0|1,0,0]=3 17412 B12R2.1081 NC1CCCc2cccnc21 Amb22371548 [0,1,0,1,0,0|2,0,0]=4 17413 B12R2.1081 NC1CCCc2cccnc21 Amb8010256 [0,1,0,1,0,0|2,0,0]=4 17414 B12R2.1081 NC1CCCc2ccncc21 Amb22751608 [0,1,0,1,0,0|2,0,0]=4 17415 B12R2.1081 NC1CCCc2cnccc21 Amb20622033 [0,1,0,1,0,0|2,0,0]=4 17416 B12R2.1081 NC1CCCc2cnccc21 Amb23399856 [0,1,0,1,0,0|2,0,0]=4 17417 B12R2.1081 NC1CCCc2ncccc21 Amb22499726 [0,1,0,1,0,0|2,0,0]=4 17418 B12R2.1081 NC1CCCc2ncccc21 Amb2695428 [0,1,0,1,0,0|2,0,0]=4 17419 B12R2.1081 NC1CCNc2ccccc21 Amb22233827 [0,1,0,1,0,0|1,0,0]=3 17420 B12R2.1081 NC1CCNc2ccccc21 Amb2700188 [0,1,0,1,0,0|1,0,0]=3 17421 B12R2.1081 NC1CCOc2ccccc21 Amb5717381 [0,1,0,1,0,0|0,0,0]=2 17422 B12R2.1081 NC1CCOc2ccccc21 Amb8333718 [0,1,0,1,0,0|0,0,0]=2 17423 B12R2.1081 NC1CCOc2cccnc21 Amb21858508 [0,1,0,1,0,0|1,0,0]=3 17424 B12R2.1081 NC1CCOc2ncccc21 Amb25806168 [0,1,0,1,0,0|1,0,0]=3 17425 B12R2.1081 NC1CCOc2ncccc21 Amb33620939 [0,1,0,1,0,0|1,0,0]=3 17426 B12R2.1081 NC1CCOc2nccnc21 Amb27880410 [0,1,0,1,0,0|2,0,0]=4 17427 B12R2.1081 NC1CCSc2ccccc21 Amb6891903 [0,1,0,1,0,0|0,1,0]=3 17428 B12R2.1081 NC1CCSc2ccccc21 Amb9703514 [0,1,0,1,0,0|0,1,0]=3 17429 B12R2.1081 NC1CNCc2ccccc21 Amb19929632 [0,1,0,1,0,0|1,0,0]=3 17430 B12R2.1081 NC1COCc2ccccc21 Amb10067658 [0,1,0,1,0,0|1,0,0]=3 17431 B12R2.1081 NC1COCc2ccccc21 Amb18202067 [0,1,0,1,0,0|1,0,0]=3 17432 B12R2.1081 NC1CSCc2ccccc21 Amb10067686 [0,1,0,1,0,0|1,0,0]=3 17433 B12R2.1081 NC1CSCc2ccccc21 Amb9620859 [0,1,0,1,0,0|1,0,0]=3 17434 B12R2.1081 NN1CCCc2ccccc21 Amb33172813 [0,1,0,1,0,0|1,0,0]=3 17435 B12R2.1081 NN1CCCc2ccccc21 Amb836811 [0,1,0,1,0,0|1,0,0]=3 17436 B12R2.1081 NN1CCOc2ccccc21 Amb18125145 [0,1,0,1,0,0|1,0,0]=3 17437 B12R2.1081 N[C@@H]1CCCc2ccccc21 Amb10844952 [0,1,0,1,0,0|1,0,0]=3 17438 B12R2.1081 N[C@@H]1CCCc2cccnc21 Amb22748844 [0,1,0,1,0,0|2,0,0]=4 17439 B12R2.1081 N[C@@H]1CCCc2cccnc21 Amb22748845 [0,1,0,1,0,0|2,0,0]=4 17440 B12R2.1081 N[C@@H]1CCCc2cccnc21 Amb8397713 [0,1,0,1,0,0|2,0,0]=4 17441 B12R2.1081 N[C@@H]1CCCc2ccncc21 Amb26019463 [0,1,0,1,0,0|2,0,0]=4 17442 B12R2.1081 N[C@@H]1CCCc2cnccc21 Amb27864893 [0,1,0,1,0,0|2,0,0]=4 17443 B12R2.1081 N[C@@H]1CCCc2ncccc21 Amb27170343 [0,1,0,1,0,0|2,0,0]=4 17444 B12R2.1081 N[C@@H]1CCNc2ccccc21 Amb26012444 [0,1,0,1,0,0|1,0,0]=3 17445 B12R2.1081 N[C@@H]1CCOc2ccccc21 Amb13953038 [0,1,0,1,0,0|0,0,0]=2 17446 B12R2.1081 N[C@@H]1CCOc2ccccc21 Amb19515762 [0,1,0,1,0,0|0,0,0]=2 17447 B12R2.1081 N[C@@H]1CCSc2ccccc21 Amb13952927 [0,1,0,1,0,0|0,1,0]=3 17448 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb19929634 [0,1,0,1,0,0|1,0,0]=3 17449 B12R2.1081 N[C@H]1CCCc2ccccc21 Amb8383429 [0,1,0,1,0,0|1,0,0]=3 17450 B12R2.1081 N[C@H]1CCCc2cccnc21 Amb33870724 [0,1,0,1,0,0|2,0,0]=4 17451 B12R2.1081 N[C@H]1CCCc2cccnc21 Amb8397714 [0,1,0,1,0,0|2,0,0]=4 17452 B12R2.1081 N[C@H]1CCCc2ccncc21 Amb25326344 [0,1,0,1,0,0|2,0,0]=4 17453 B12R2.1081 N[C@H]1CCCc2cnccc21 Amb28341706 [0,1,0,1,0,0|2,0,0]=4 17454 B12R2.1081 N[C@H]1CCNc2ccccc21 Amb25697589 [0,1,0,1,0,0|1,0,0]=3 17455 B12R2.1081 N[C@H]1CCOc2ccccc21 Amb13953039 [0,1,0,1,0,0|0,0,0]=2 17456 B12R2.1081 N[C@H]1CCOc2ccccc21 Amb24052964 [0,1,0,1,0,0|0,0,0]=2 17457 B12R2.1081 N[C@H]1CCOc2cccnc21 Amb26551067 [0,1,0,1,0,0|1,0,0]=3 17458 B12R2.1081 N[C@H]1CCSc2ccccc21 Amb13952928 [0,1,0,1,0,0|0,1,0]=3 17459 B12R2.1081 N[C@H]1COCc2ccccc21 Amb27839884 [0,1,0,1,0,0|1,0,0]=3 17460 B12R2.1081 Nc1cccc2c1C=CCO2 Amb17569992 [0,1,0,1,0,0|0,0,2]=4 17461 B12R2.1081 Nc1cccc2c1CCCC2 Amb1088906 [0,1,0,1,0,0|1,0,0]=3 17462 B12R2.1081 Nc1cccc2c1CCCN2 Amb33543645 [0,1,0,1,0,0|1,0,0]=3 17463 B12R2.1081 Nc1cccc2c1CCCO2 Amb17570000 [0,1,0,1,0,0|0,0,0]=2 17464 B12R2.1081 Nc1cccc2c1CCCO2 Amb31291594 [0,1,0,1,0,0|0,0,0]=2 17465 B12R2.1081 Nc1cccc2c1CCCS2 Amb27868696 [0,1,0,1,0,0|0,1,0]=3 17466 B12R2.1081 Nc1cccc2c1CCNC2 Amb10067205 [0,1,0,1,0,0|2,0,0]=4 17467 B12R2.1081 Nc1cccc2c1CCNC2 Amb21858678 [0,1,0,1,0,0|2,0,0]=4 17468 B12R2.1081 Nc1cccc2c1CCOC2 Amb25869808 [0,1,0,1,0,0|2,0,0]=4 17469 B12R2.1081 Nc1cccc2c1CCOC2 Amb33620938 [0,1,0,1,0,0|2,0,0]=4 17470 B12R2.1081 Nc1cccc2c1CNCC2 Amb18355098 [0,1,0,1,0,0|2,0,0]=4 17471 B12R2.1081 Nc1cccc2c1CNCC2 Amb30586521 [0,1,0,1,0,0|2,0,0]=4 17472 B12R2.1081 Nc1cccc2c1COCC2 Amb25330800 [0,1,0,1,0,0|2,0,0]=4 17473 B12R2.1081 Nc1cccc2c1COCC2 Amb28653003 [0,1,0,1,0,0|2,0,0]=4 17474 B12R2.1081 Nc1cccc2c1COCO2 Amb17570009 [0,1,0,1,0,0|1,0,0]=3 17475 B12R2.1081 Nc1cccc2c1NCCC2 Amb2606143 [0,1,0,1,0,0|1,0,0]=3 17476 B12R2.1081 Nc1cccc2c1NCCN2 Amb27404509 [0,1,0,1,0,0|2,0,0]=4 17477 B12R2.1081 Nc1cccc2c1NCCO2 Amb16191975 [0,1,0,1,0,0|1,0,0]=3 17478 B12R2.1081 Nc1cccc2c1OCC=C2 Amb17569990 [0,1,0,1,0,0|0,0,2]=4 17479 B12R2.1081 Nc1cccc2c1OCCC2 Amb17569999 [0,1,0,1,0,0|0,0,0]=2 17480 B12R2.1081 Nc1cccc2c1OCCC2 Amb28652885 [0,1,0,1,0,0|0,0,0]=2 17481 B12R2.1081 Nc1cccc2c1OCCN2 Amb10067597 [0,1,0,1,0,0|1,0,0]=3 17482 B12R2.1081 Nc1cccc2c1OCCO2 Amb10071734 [0,1,0,1,0,0|1,0,0]=3 17483 B12R2.1081 Nc1cccc2c1OCCO2 Amb8009549 [0,1,0,1,0,0|1,0,0]=3 17484 B12R2.1081 Nc1cccc2c1OCCS2 Amb17570122 [0,1,0,1,0,0|1,0,0]=3 17485 B12R2.1081 Nc1cccc2c1OCOC2 Amb17570008 [0,1,0,1,0,0|1,0,0]=3 17486 B12R2.1081 Nc1ccnc2c1CCCC2 Amb33456343 [0,1,0,1,0,0|2,0,0]=4 17487 B12R2.1081 Nc1ccnc2c1CCCC2 Amb33544883 [0,1,0,1,0,0|2,0,0]=4 17488 B12R2.1081 Nc1ccnc2c1NCCO2 Amb24485900 [0,1,0,1,0,0|2,0,0]=4 17489 B12R2.1081 Nc1ccnc2c1OCCO2 Amb13889678 [0,1,0,1,0,0|2,0,0]=4 17490 B12R2.1081 Nc1cncc2c1CCCC2 Amb24070842 [0,1,0,1,0,0|2,0,0]=4 17491 B12R2.1081 Nc1cncc2c1CCCC2 Amb7172688 [0,1,0,1,0,0|2,0,0]=4 17492 B12R2.1081 Nc1cncc2c1NCCC2 Amb10879382 [0,1,0,1,0,0|2,0,0]=4 17493 B12R2.1081 Nc1nccc2c1CCCC2 Amb26940227 [0,1,0,1,0,0|2,0,0]=4 17494 B12R2.1081 Nc1nccc2c1NCCC2 Amb26020128 [0,1,0,1,0,0|2,0,0]=4 17495 B12R2.1081 Nc1ncnc2c1CCCO2 Amb4061613 [0,1,0,1,0,0|2,0,0]=4 17496 B12R2.1081 Nc1ncnc2c1OCCC2 Amb18201709 [0,1,0,1,0,0|2,0,0]=4 17497 B12R2.1081 O=C1C=CNC2=C1CCCC2 Amb22749082 [0,1,0,1,0,0|2,0,0]=4 17498 B12R2.1081 O=C1CCC[n+]2ccccc21 Amb16191924 [0,1,0,1,0,0|1,0,1]=4 17499 B12R2.1081 O=C1CCC[n+]2ccccc21 Amb2613491 [0,1,0,1,0,0|1,0,1]=4 17500 B12R2.1081 O=C1CCCc2ccccc21 Amb534638 [0,1,0,1,0,0|0,0,1]=3 17501 B12R2.1081 O=C1CCCc2cccnc21 Amb8393834 [0,1,0,1,0,0|1,0,1]=4 17502 B12R2.1081 O=C1CCCc2ccncc21 Amb19888360 [0,1,0,1,0,0|1,0,1]=4 17503 B12R2.1081 O=C1CCCc2ccncc21 Amb22727966 [0,1,0,1,0,0|1,0,1]=4 17504 B12R2.1081 O=C1CCCc2cnccc21 Amb10603887 [0,1,0,1,0,0|1,0,1]=4 17505 B12R2.1081 O=C1CCCc2cnccc21 Amb20621086 [0,1,0,1,0,0|1,0,1]=4 17506 B12R2.1081 O=C1CCCc2ncccc21 Amb19515604 [0,1,0,1,0,0|1,0,1]=4 17507 B12R2.1081 O=C1CCCc2ncccc21 Amb2695282 [0,1,0,1,0,0|1,0,1]=4 17508 B12R2.1081 O=C1CCNc2ccccc21 Amb2699611 [0,1,0,1,0,0|0,0,2]=4 17509 B12R2.1081 O=C1CCNc2ccccc21 Amb33542509 [0,1,0,1,0,0|0,0,2]=4 17510 B12R2.1081 O=C1CCOc2ccccc21 Amb1153759 [0,1,0,1,0,0|0,0,1]=3 17511 B12R2.1081 O=C1CCOc2cccnc21 Amb33544080 [0,1,0,1,0,0|1,0,1]=4 17512 B12R2.1081 O=C1CCOc2cnccc21 Amb33742663 [0,1,0,1,0,0|1,0,1]=4 17513 B12R2.1081 O=C1CCOc2ncccc21 Amb24061183 [0,1,0,1,0,0|1,0,1]=4 17514 B12R2.1081 O=C1CCSc2ccccc21 Amb1151631 [0,1,0,1,0,0|0,0,2]=4 17515 B12R2.1081 O=C1CNCc2ccccc21 Amb22494722 [0,1,0,1,0,0|0,0,2]=4 17516 B12R2.1081 O=C1CNCc2ccccc21 Amb9783330 [0,1,0,1,0,0|0,0,2]=4 17517 B12R2.1081 O=C1COCc2ccccc21 Amb10067824 [0,1,0,1,0,0|0,0,2]=4 17518 B12R2.1081 O=C1CSCc2ccccc21 Amb2733969 [0,1,0,1,0,0|0,0,2]=4 17519 B12R2.1081 O=C1NC=CC2=C1CCCN2 Amb22304713 [0,1,0,1,0,0|2,0,0]=4 17520 B12R2.1081 O=C1NC=CC2=C1NCCC2 Amb24340456 [0,1,0,1,0,0|2,0,0]=4 17521 B12R2.1081 O=C1NC=CC2=C1NCCC2 Amb32667668 [0,1,0,1,0,0|2,0,0]=4 17522 B12R2.1081 O=C1NCCc2ccccc21 Amb2502473 [0,1,0,1,0,0|0,0,2]=4 17523 B12R2.1081 O=C1OCCc2ccccc21 Amb16232507 [0,1,0,1,0,0|0,0,2]=4 17524 B12R2.1081 O=C1SCCc2ccccc21 Amb24484481 [0,1,0,1,0,0|0,0,2]=4 17525 B12R2.1081 O=S1CCNc2ccccc21 Amb1106281 [0,1,0,1,0,0|1,0,1]=4 17526 B12R2.1081 O=S1CCOc2ccccc21 Amb33189180 [0,1,0,1,0,0|1,0,0]=3 17527 B12R2.1081 O=c1cccc2n1CCCN2 Amb22227688 [0,1,0,1,0,0|2,0,0]=4 17528 B12R2.1081 OB1OCCc2ccccc21 Amb10070693 [0,1,0,1,0,0|1,0,0]=3 17529 B12R2.1081 OC1=COCc2ccccc21 Amb10603427 [0,1,0,1,0,0|0,0,2]=4 17530 B12R2.1081 OC1C=CSc2ccccc21 Amb27980705 [0,1,0,1,0,0|0,0,2]=4 17531 B12R2.1081 OC1CCCc2ccccc21 Amb9702810 [0,1,0,1,0,0|0,0,0]=2 17532 B12R2.1081 OC1CCCc2cccnc21 Amb17935812 [0,1,0,1,0,0|1,0,0]=3 17533 B12R2.1081 OC1CCCc2cccnc21 Amb8397302 [0,1,0,1,0,0|1,0,0]=3 17534 B12R2.1081 OC1CCCc2cnccc21 Amb23399822 [0,1,0,1,0,0|1,0,0]=3 17535 B12R2.1081 OC1CCCc2nccnc21 Amb26362396 [0,1,0,1,0,0|2,0,0]=4 17536 B12R2.1081 OC1CCNc2ccccc21 Amb10553386 [0,1,0,1,0,0|0,0,0]=2 17537 B12R2.1081 OC1CCNc2ccccc21 Amb22276045 [0,1,0,1,0,0|0,0,0]=2 17538 B12R2.1081 OC1CCNc2ncccc21 Amb25931080 [0,1,0,1,0,0|1,0,0]=3 17539 B12R2.1081 OC1CCOc2ccccc21 Amb2719725 [0,1,0,1,0,0|0,0,0]=2 17540 B12R2.1081 OC1CCOc2cccnc21 Amb16233154 [0,1,0,1,0,0|1,0,0]=3 17541 B12R2.1081 OC1CCOc2cnccc21 Amb33733614 [0,1,0,1,0,0|1,0,0]=3 17542 B12R2.1081 OC1CCOc2ncccc21 Amb26071627 [0,1,0,1,0,0|1,0,0]=3 17543 B12R2.1081 OC1CCSc2ccccc21 Amb9748233 [0,1,0,1,0,0|0,0,0]=2 17544 B12R2.1081 OC1CNCc2ccccc21 Amb16233378 [0,1,0,1,0,0|0,0,0]=2 17545 B12R2.1081 OC1CNCc2ccccc21 Amb22587041 [0,1,0,1,0,0|0,0,0]=2 17546 B12R2.1081 OC1CNCc2ncccc21 Amb18201914 [0,1,0,1,0,0|1,0,0]=3 17547 B12R2.1081 OC1CNCc2ncncc21 Amb18201680 [0,1,0,1,0,0|2,0,0]=4 17548 B12R2.1081 OC1COCc2ccccc21 Amb20171360 [0,1,0,1,0,0|0,0,0]=2 17549 B12R2.1081 OC1CSCc2ccccc21 Amb9619601 [0,1,0,1,0,0|0,0,0]=2 17550 B12R2.1081 OC1OCCc2ccccc21 Amb27860258 [0,1,0,1,0,0|0,0,0]=2 17551 B12R2.1081 ON1CC=Cc2ccccc21 Amb26600953 [0,1,0,1,0,0|0,0,2]=4 17552 B12R2.1081 O[C@@H]1C=COc2ccccc21 Amb25108504 [0,1,0,1,0,0|0,0,2]=4 17553 B12R2.1081 O[C@@H]1CC=Cc2ccccc21 Amb8384066 [0,1,0,1,0,0|0,0,1]=3 17554 B12R2.1081 O[C@@H]1CCCc2ccccc21 Amb22337827 [0,1,0,1,0,0|0,0,0]=2 17555 B12R2.1081 O[C@@H]1CCCc2cccnc21 Amb24062853 [0,1,0,1,0,0|1,0,0]=3 17556 B12R2.1081 O[C@@H]1CCCc2cnccc21 Amb28065163 [0,1,0,1,0,0|1,0,0]=3 17557 B12R2.1081 O[C@@H]1CCCc2ncccc21 Amb26874431 [0,1,0,1,0,0|1,0,0]=3 17558 B12R2.1081 O[C@@H]1CCOc2ccccc21 Amb561634 [0,1,0,1,0,0|0,0,0]=2 17559 B12R2.1081 O[C@@H]1CCSc2ccccc21 Amb13952924 [0,1,0,1,0,0|0,0,0]=2 17560 B12R2.1081 O[C@@H]1COCc2ccccc21 Amb22748516 [0,1,0,1,0,0|0,0,0]=2 17561 B12R2.1081 O[C@@H]1CSCc2ccccc21 Amb27836959 [0,1,0,1,0,0|0,0,0]=2 17562 B12R2.1081 O[C@H]1C=CCc2ccccc21 Amb28249097 [0,1,0,1,0,0|0,0,1]=3 17563 B12R2.1081 O[C@H]1C=COc2ccccc21 Amb27589685 [0,1,0,1,0,0|0,0,2]=4 17564 B12R2.1081 O[C@H]1CC=Cc2ccccc21 Amb27804916 [0,1,0,1,0,0|0,0,1]=3 17565 B12R2.1081 O[C@H]1CCCc2ccccc21 Amb22336192 [0,1,0,1,0,0|0,0,0]=2 17566 B12R2.1081 O[C@H]1CCCc2cccnc21 Amb24083650 [0,1,0,1,0,0|1,0,0]=3 17567 B12R2.1081 O[C@H]1CCCc2cnccc21 Amb32698572 [0,1,0,1,0,0|1,0,0]=3 17568 B12R2.1081 O[C@H]1CCOc2ccccc21 Amb2609035 [0,1,0,1,0,0|0,0,0]=2 17569 B12R2.1081 O[C@H]1CCSc2ccccc21 Amb13952926 [0,1,0,1,0,0|0,0,0]=2 17570 B12R2.1081 O[C@H]1CNCc2ccccc21 Amb24533225 [0,1,0,1,0,0|0,0,0]=2 17571 B12R2.1081 Oc1cccc2c1C=CCC2 Amb18644265 [0,1,0,1,0,0|1,0,1]=4 17572 B12R2.1081 Oc1cccc2c1CCCC2 Amb33550500 [0,1,0,1,0,0|1,0,0]=3 17573 B12R2.1081 Oc1cccc2c1CCCN2 Amb18124994 [0,1,0,1,0,0|1,0,0]=3 17574 B12R2.1081 Oc1cccc2c1CCCS2 Amb27628967 [0,1,0,1,0,0|0,1,0]=3 17575 B12R2.1081 Oc1cccc2c1CCNC2 Amb21858675 [0,1,0,1,0,0|2,0,0]=4 17576 B12R2.1081 Oc1cccc2c1CCNC2 Amb23403654 [0,1,0,1,0,0|2,0,0]=4 17577 B12R2.1081 Oc1cccc2c1CCNC2 Amb2700187 [0,1,0,1,0,0|2,0,0]=4 17578 B12R2.1081 Oc1cccc2c1CCOC2 Amb24417190 [0,1,0,1,0,0|2,0,0]=4 17579 B12R2.1081 Oc1cccc2c1CNCC2 Amb10067195 [0,1,0,1,0,0|2,0,0]=4 17580 B12R2.1081 Oc1cccc2c1CNCC2 Amb21858715 [0,1,0,1,0,0|2,0,0]=4 17581 B12R2.1081 Oc1cccc2c1COCC2 Amb28348541 [0,1,0,1,0,0|2,0,0]=4 17582 B12R2.1081 Oc1cccc2c1NCCC2 Amb1057683 [0,1,0,1,0,0|1,0,0]=3 17583 B12R2.1081 Oc1cccc2c1OCC=C2 Amb27786332 [0,1,0,1,0,0|0,0,2]=4 17584 B12R2.1081 Oc1cccc2c1OCCC2 Amb25142441 [0,1,0,1,0,0|0,0,0]=2 17585 B12R2.1081 Oc1cccc2c1OCCO2 Amb2548386 [0,1,0,1,0,0|1,0,0]=3 17586 B12R2.1081 Oc1cccc2c1SCCC2 Amb24715725 [0,1,0,1,0,0|0,1,0]=3 17587 B12R2.1081 Oc1ccnc2c1CCCC2 Amb22728833 [0,1,0,1,0,0|2,0,0]=4 17588 B12R2.1081 Oc1ccnc2c1CCCN2 Amb27445691 [0,1,0,1,0,0|2,0,0]=4 17589 B12R2.1081 Oc1ccnc2c1OCCC2 Amb24455519 [0,1,0,1,0,0|1,0,0]=3 17590 B12R2.1081 Oc1ccnc2c1OCCO2 Amb13889680 [0,1,0,1,0,0|2,0,0]=4 17591 B12R2.1081 Oc1cncc2c1CCCN2 Amb18125144 [0,1,0,1,0,0|2,0,0]=4 17592 B12R2.1081 Oc1cncc2c1NCCC2 Amb20241773 [0,1,0,1,0,0|2,0,0]=4 17593 B12R2.1081 Oc1nccc2c1CCCC2 Amb22727883 [0,1,0,1,0,0|2,0,0]=4 17594 B12R2.1081 S=C1NCCc2ccccc21 Amb2725056 [0,1,0,1,0,0|0,1,1]=4 17595 B12R2.1081 SC1CCCc2ccccc21 Amb9208036 [0,1,0,1,0,0|0,1,0]=3 17596 B12R2.1081 SC1CCCc2cccnc21 Amb32788872 [0,1,0,1,0,0|1,1,0]=4 17597 B12R2.1081 SC1CCCc2cnccc21 Amb32788837 [0,1,0,1,0,0|1,1,0]=4 17598 B12R2.1081 SC1CCCc2ncccc21 Amb32788546 [0,1,0,1,0,0|1,1,0]=4 17599 B12R2.1081 SC1CCNc2ccccc21 Amb26423876 [0,1,0,1,0,0|0,1,0]=3 17600 B12R2.1081 SC1CCOc2ccccc21 Amb9208037 [0,1,0,1,0,0|0,0,0]=2 17601 B12R2.1081 SC1CCSc2ccccc21 Amb9208043 [0,1,0,1,0,0|0,1,0]=3 17602 B12R2.1081 SC1COCc2ccccc21 Amb28349489 [0,1,0,1,0,0|0,1,0]=3 17603 B12R2.1081 SC1CSCc2ccccc21 Amb32788444 [0,1,0,1,0,0|0,1,0]=3 17604 B12R2.1081 Sc1cccc2c1CCCC2 Amb5494141 [0,1,0,1,0,0|1,0,0]=3 17605 B12R2.1081 Sc1cccc2c1CNCC2 Amb27870522 [0,1,0,1,0,0|2,0,0]=4 17606 B12R2.1081 Sc1cccc2c1OCCO2 Amb24688690 [0,1,0,1,0,0|1,0,0]=3 17607 B12R2.1081 [NH3+]C1CCCc2ccccc21 Amb24113843 [0,1,0,1,0,0|1,0,0]=3 17608 B12R2.1081 [O-][n+]1cccc2c1CCCC2 Amb2779966 [0,1,0,1,0,0|2,0,0]=4 17609 B12R2.1081 [O-]c1ccc[n+]2c1SCCC2 Amb10552989 [0,1,0,1,0,0|1,1,0]=4 17610 B12R2.2028 BrC1CC(Br)c2ccccc21 Amb28136954 [0,1,0,1,0,0|1,0,0]=3 17611 B12R2.2028 C=C1CC(O)c2ccncc21 Amb25863928 [0,1,0,1,0,0|1,0,1]=4 17612 B12R2.2028 CC1=CC(O)c2ccccc21 Amb17778893 [0,1,0,1,0,0|0,0,2]=4 17613 B12R2.2028 CC1CC(=O)c2ccccc21 Amb9747864 [0,1,0,1,0,0|0,0,2]=4 17614 B12R2.2028 CC1CC(Cl)c2ccccc21 Amb27413208 [0,1,0,1,0,0|1,0,0]=3 17615 B12R2.2028 CC1CC(N)c2ccccc21 Amb19373084 [0,1,0,1,0,0|1,0,0]=3 17616 B12R2.2028 CC1CC(N)c2ccccc21 Amb6705561 [0,1,0,1,0,0|1,0,0]=3 17617 B12R2.2028 CC1CC(S)c2ccccc21 Amb24465175 [0,1,0,1,0,0|0,1,0]=3 17618 B12R2.2028 CC1CN(C)c2ccccc21 Amb5718018 [0,1,0,1,0,0|2,0,0]=4 17619 B12R2.2028 CC1NC(C)c2ccccc21 Amb20622620 [0,1,0,1,0,0|2,0,0]=4 17620 B12R2.2028 CC1OB(O)c2ccccc21 Amb25893330 [0,1,0,1,0,0|2,0,0]=4 17621 B12R2.2028 CN1CC(N)c2ccccc21 Amb26601033 [0,1,0,1,0,0|2,0,0]=4 17622 B12R2.2028 C[C@@H]1CC(=O)c2ccccc21 Amb24467053 [0,1,0,1,0,0|0,0,2]=4 17623 B12R2.2028 C[C@@H]1C[C@@H](O)c2ccccc21 Amb27623223 [0,1,0,1,0,0|0,0,0]=2 17624 B12R2.2028 C[C@@H]1C[C@@H](O)c2ccncc21 Amb25102087 [0,1,0,1,0,0|1,0,0]=3 17625 B12R2.2028 C[C@@H]1N[C@@H](C)c2ccccc21 Amb27788108 [0,1,0,1,0,0|2,0,0]=4 17626 B12R2.2028 C[C@@H]1N[C@@H](C)c2ccccc21 Amb35788409 [0,1,0,1,0,0|2,0,0]=4 17627 B12R2.2028 C[C@@H]1OC(O)c2ccccc21 Amb26648832 [0,1,0,1,0,0|1,0,0]=3 17628 B12R2.2028 C[C@H]1CC(=O)c2ccccc21 Amb25768595 [0,1,0,1,0,0|0,0,2]=4 17629 B12R2.2028 C[C@H]1O[C@@H](O)c2ccccc21 Amb28142292 [0,1,0,1,0,0|1,0,0]=3 17630 B12R2.2028 NC1CC(=O)c2ccccc21 Amb17470381 [0,1,0,1,0,0|0,0,2]=4 17631 B12R2.2028 NC1CC(=O)c2ccccc21 Amb21955324 [0,1,0,1,0,0|0,0,2]=4 17632 B12R2.2028 NC1CC(F)c2ccccc21 Amb24117897 [0,1,0,1,0,0|1,0,0]=3 17633 B12R2.2028 NC1CC(F)c2ccccc21 Amb24361429 [0,1,0,1,0,0|1,0,0]=3 17634 B12R2.2028 NC1CC(O)c2ccccc21 Amb17470387 [0,1,0,1,0,0|0,0,0]=2 17635 B12R2.2028 NC1CC(S)c2ccccc21 Amb32788269 [0,1,0,1,0,0|0,1,0]=3 17636 B12R2.2028 NC1NC(N)c2ccccc21 Amb25887101 [0,1,0,1,0,0|2,0,0]=4 17637 B12R2.2028 N[C@@H]1CC(=O)c2ccccc21 Amb27655630 [0,1,0,1,0,0|0,0,2]=4 17638 B12R2.2028 N[C@@H]1C[C@@H](N)c2ccccc21 Amb27627309 [0,1,0,1,0,0|1,0,0]=3 17639 B12R2.2028 N[C@@H]1C[C@@H](O)c2ccccc21 Amb25213011 [0,1,0,1,0,0|0,0,0]=2 17640 B12R2.2028 N[C@@H]1C[C@H](O)c2ccccc21 Amb24657326 [0,1,0,1,0,0|0,0,0]=2 17641 B12R2.2028 N[C@H]1C[C@@H](N)c2ccccc21 Amb27468638 [0,1,0,1,0,0|1,0,0]=3 17642 B12R2.2028 N[C@H]1C[C@@H](O)c2ccccc21 Amb27810799 [0,1,0,1,0,0|0,0,0]=2 17643 B12R2.2028 O=C1CC(Br)c2ccccc21 Amb10068269 [0,1,0,1,0,0|0,0,2]=4 17644 B12R2.2028 O=C1CC(Cl)c2ccccc21 Amb26945025 [0,1,0,1,0,0|0,0,2]=4 17645 B12R2.2028 O=C1CC(F)c2ccccc21 Amb26621970 [0,1,0,1,0,0|0,0,2]=4 17646 B12R2.2028 O=C1CC(I)c2ccccc21 Amb28289407 [0,1,0,1,0,0|0,0,2]=4 17647 B12R2.2028 O=C1CC(O)c2ccccc21 Amb27872121 [0,1,0,1,0,0|0,0,1]=3 17648 B12R2.2028 O=C1CC(O)c2cccnc21 Amb22750353 [0,1,0,1,0,0|1,0,1]=4 17649 B12R2.2028 O=C1NC(O)c2ccccc21 Amb17593710 [0,1,0,1,0,0|1,0,1]=4 17650 B12R2.2028 O=C1OC(O)c2ccccc21 Amb10552913 [0,1,0,1,0,0|1,0,1]=4 17651 B12R2.2028 O=C1OC(O)c2ccccc21 Amb16226896 [0,1,0,1,0,0|1,0,1]=4 17652 B12R2.2028 O=C1SC(O)c2ccccc21 Amb28207229 [0,1,0,1,0,0|1,0,1]=4 17653 B12R2.2028 OB1OC(O)c2ccccc21 Amb27425186 [0,1,0,1,0,0|2,0,0]=4 17654 B12R2.2028 OC1CC(O)c2ccccc21 Amb1110942 [0,1,0,1,0,0|0,0,0]=2 17655 B12R2.2028 OC1NC(=S)c2ccccc21 Amb28198939 [0,1,0,1,0,0|1,0,1]=4 17656 B12R2.2028 OC1NC(O)c2ccccc21 Amb24441685 [0,1,0,1,0,0|1,0,0]=3 17657 B12R2.2028 OC1OC(O)c2ccccc21 Amb27455100 [0,1,0,1,0,0|1,0,0]=3 17658 B12R2.2028 O[C@H]1C[C@@H](O)c2ccccc21 Amb17938072 [0,1,0,1,0,0|0,0,0]=2 17659 B12R2.2028 O[C@H]1C[C@H](O)c2ccccc21 Amb10068281 [0,1,0,1,0,0|0,0,0]=2 17660 B12R2.2047 C[C@H]1c2ccccc2[C@@H]1CO Amb28435749 [0,1,0,1,0,0|0,0,0]=2 17661 B12R2.2075 Br[C@@H](c1ccccc1)[C@@H]2CO2 Amb27204462 [0,1,0,1,0,0|0,0,0]=2 17662 B12R2.2075 C=C(c1ccccc1)C2CC2 Amb27856321 [0,1,0,1,0,0|1,0,1]=4 17663 B12R2.2075 CC(c1ccccc1)C2CO2 Amb33540219 [0,1,0,1,0,0|0,0,0]=2 17664 B12R2.2075 CC(c1ccccc1)[C@@H]2CO2 Amb33082137 [0,1,0,1,0,0|0,0,0]=2 17665 B12R2.2075 CC(c1ccccc1)[C@H]2CO2 Amb33082136 [0,1,0,1,0,0|0,0,0]=2 17666 B12R2.2075 CN(c1ccccc1)C2CC2 Amb26509274 [0,1,0,1,0,0|2,0,0]=4 17667 B12R2.2075 Cl[C@@H](c1ccccc1)[C@@H]2CO2 Amb27865491 [0,1,0,1,0,0|0,0,0]=2 17668 B12R2.2075 NC(c1ccccc1)C2CC2 Amb2371625 [0,1,0,1,0,0|1,0,0]=3 17669 B12R2.2075 NC(c1ccccc1)C2CC2 Amb482312 [0,1,0,1,0,0|1,0,0]=3 17670 B12R2.2075 NC(c1ccccn1)C2CC2 Amb3788125 [0,1,0,1,0,0|2,0,0]=4 17671 B12R2.2075 NC(c1cccnc1)C2CC2 Amb33535397 [0,1,0,1,0,0|2,0,0]=4 17672 B12R2.2075 NC(c1ccncc1)C2CC2 Amb22497035 [0,1,0,1,0,0|2,0,0]=4 17673 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 Amb22406366 [0,1,0,1,0,0|1,0,0]=3 17674 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 Amb26960416 [0,1,0,1,0,0|1,0,0]=3 17675 B12R2.2075 N[C@H](c1ccccc1)C2CC2 Amb22406367 [0,1,0,1,0,0|1,0,0]=3 17676 B12R2.2075 N[C@H](c1ccccc1)C2CC2 Amb22744981 [0,1,0,1,0,0|1,0,0]=3 17677 B12R2.2075 N[C@H](c1cccnc1)C2CC2 Amb28423502 [0,1,0,1,0,0|2,0,0]=4 17678 B12R2.2075 N[C@H](c1ccncc1)C2CC2 Amb28429801 [0,1,0,1,0,0|2,0,0]=4 17679 B12R2.2075 O=C(c1ccccc1)C2CC2 Amb4115715 [0,1,0,1,0,0|1,0,1]=4 17680 B12R2.2075 OC(c1ccccc1)C2CC2 Amb33534747 [0,1,0,1,0,0|1,0,0]=3 17681 B12R2.2075 OC(c1ccccc1)C2CO2 Amb27210172 [0,1,0,1,0,0|0,0,0]=2 17682 B12R2.2075 OC(c1ccccn1)C2CC2 Amb27982276 [0,1,0,1,0,0|2,0,0]=4 17683 B12R2.2075 OC(c1ccccn1)C2CC2 Amb32666125 [0,1,0,1,0,0|2,0,0]=4 17684 B12R2.2075 OC(c1cccnc1)C2CC2 Amb22497231 [0,1,0,1,0,0|2,0,0]=4 17685 B12R2.2075 O[C@@H](c1ccccc1)C2CO2 Amb27839920 [0,1,0,1,0,0|0,0,0]=2 17686 B12R2.2075 O[C@@H](c1ccccn1)C2CC2 Amb32882520 [0,1,0,1,0,0|2,0,0]=4 17687 B12R2.2075 O[C@H](c1ccccc1)C2CC2 Amb27955379 [0,1,0,1,0,0|1,0,0]=3 17688 B12R2.2075 O[C@H](c1ccccc1)C2CO2 Amb27593359 [0,1,0,1,0,0|0,0,0]=2 17689 B12R2.2075 O[C@H](c1ccccc1)[C@@H]2CO2 Amb27448761 [0,1,0,1,0,0|0,0,0]=2 17690 B12R2.2075 O[C@H](c1ccccn1)C2CC2 Amb32882519 [0,1,0,1,0,0|2,0,0]=4 17691 B12R2.2075 SC(c1ccccc1)C2CC2 Amb33537940 [0,1,0,1,0,0|1,0,0]=3 17692 B12R2.32 BrCC1Cc2ccccc2C1 Amb22235471 [0,1,0,1,0,0|1,0,0]=3 17693 B12R2.32 BrCC1Cc2ccccc2O1 Amb17040446 [0,1,0,1,0,0|1,0,0]=3 17694 B12R2.32 BrCC1Cc2ccccc2S1 Amb27826930 [0,1,0,1,0,0|1,0,0]=3 17695 B12R2.32 C#CC1Cc2ccccc2C1 Amb24074759 [0,1,0,1,0,0|1,0,1]=4 17696 B12R2.32 C=CC1Cc2ccccc2C1 Amb33342617 [0,1,0,1,0,0|1,0,1]=4 17697 B12R2.32 C=CC1Cc2ccccc2N1 Amb28410346 [0,1,0,1,0,0|1,0,1]=4 17698 B12R2.32 CCC1=Cc2ccccc2C1 Amb6357923 [0,1,0,1,0,0|1,0,1]=4 17699 B12R2.32 CCC1Cc2ccccc2N1 Amb27238349 [0,1,0,1,0,0|1,0,0]=3 17700 B12R2.32 CCC1Nc2ccccc2O1 Amb28046870 [0,1,0,1,0,0|2,0,0]=4 17701 B12R2.32 CNC1Cc2ccccc2C1 Amb21955693 [0,1,0,1,0,0|2,0,0]=4 17702 B12R2.32 CNC1Cc2ccccc2C1 Amb9173647 [0,1,0,1,0,0|2,0,0]=4 17703 B12R2.32 ClCC1Cc2ccccc2C1 Amb27395181 [0,1,0,1,0,0|1,0,0]=3 17704 B12R2.32 ClCC1Cc2ccccc2O1 Amb33550114 [0,1,0,1,0,0|1,0,0]=3 17705 B12R2.32 ICC1Cc2ccccc2C1 Amb27460286 [0,1,0,1,0,0|1,0,0]=3 17706 B12R2.32 ICC1Cc2ccccc2O1 Amb23513694 [0,1,0,1,0,0|1,0,0]=3 17707 B12R2.32 N#CC1Cc2ccccc2C1 Amb9675769 [0,1,0,1,0,0|1,0,1]=4 17708 B12R2.32 NCC1Cc2ccccc2C1 Amb19287049 [0,1,0,1,0,0|1,0,0]=3 17709 B12R2.32 NCC1Cc2ccccc2C1 Amb9675770 [0,1,0,1,0,0|1,0,0]=3 17710 B12R2.32 NCC1Cc2ccccc2O1 Amb2723363 [0,1,0,1,0,0|1,0,0]=3 17711 B12R2.32 NCC1Cc2ccccc2O1 Amb9717685 [0,1,0,1,0,0|1,0,0]=3 17712 B12R2.32 NCC1Oc2ccccc2O1 Amb24060644 [0,1,0,1,0,0|2,0,0]=4 17713 B12R2.32 NC[C@@H]1Cc2ccccc2N1 Amb27606056 [0,1,0,1,0,0|1,0,0]=3 17714 B12R2.32 NNC1Cc2ccccc2C1 Amb10071076 [0,1,0,1,0,0|2,0,0]=4 17715 B12R2.32 NNC1Cc2ccccc2C1 Amb19890159 [0,1,0,1,0,0|2,0,0]=4 17716 B12R2.32 NNC1Cc2ccccc2C1 Amb9675735 [0,1,0,1,0,0|2,0,0]=4 17717 B12R2.32 NNC1Cc2ccccc2N1 Amb27641029 [0,1,0,1,0,0|2,0,0]=4 17718 B12R2.32 O=CC1Cc2ccccc2C1 Amb33547407 [0,1,0,1,0,0|0,0,2]=4 17719 B12R2.32 O=CC1Cc2ccccc2N1 Amb27232668 [0,1,0,1,0,0|0,0,2]=4 17720 B12R2.32 OCC1Cc2ccccc2C1 Amb19516120 [0,1,0,1,0,0|0,0,0]=2 17721 B12R2.32 OCC1Cc2ccccc2N1 Amb2724872 [0,1,0,1,0,0|0,0,0]=2 17722 B12R2.32 OCC1Cc2ccccc2O1 Amb9782879 [0,1,0,1,0,0|0,0,0]=2 17723 B12R2.32 OC[C@@H]1Cc2ccccc2N1 Amb22336386 [0,1,0,1,0,0|0,0,0]=2 17724 B12R2.32 OC[C@H]1Cc2ccccc2N1 Amb24746775 [0,1,0,1,0,0|0,0,0]=2 17725 B12R2.32 OCc1cc2ccccc2o1 Amb1156663 [0,1,0,1,0,0|0,0,2]=4 17726 B12R2.32 OCc1cc2ccccc2s1 Amb2688765 [0,1,0,1,0,0|0,0,2]=4 17727 B12R2.32 OCc1nc2ccccc2o1 Amb9421672 [0,1,0,1,0,0|1,0,1]=4 17728 B12R2.32 OCc1nc2ccccc2s1 Amb6335235 [0,1,0,1,0,0|1,0,1]=4 17729 B12R2.32 ON=C1Cc2ccccc2C1 Amb5718677 [0,1,0,1,0,0|1,0,1]=4 17730 B12R2.32 ONC1=Nc2ccccc2C1 Amb27202201 [0,1,0,1,0,0|1,0,1]=4 17731 B12R2.32 ONC1Cc2ccccc2C1 Amb27648605 [0,1,0,1,0,0|1,0,0]=3 17732 B12R2.32 SCC1Cc2ccccc2C1 Amb33342304 [0,1,0,1,0,0|0,1,0]=3 17733 B12R2.32 [C-]#[N+]C1Cc2ccccc2C1 Amb33342897 [0,1,0,1,0,0|2,0,0]=4 17734 B12R2.115 Br[C@@H]1C[C@H]1c2ccccc2I Amb27618991 [0,1,0,1,0,0|1,0,0]=3 17735 B12R2.115 Brc1ccccc1[C@@H]2C[C@H]2Br Amb27253972 [0,1,0,1,0,0|1,0,0]=3 17736 B12R2.115 CC1CC1c2ccccc2O Amb28246506 [0,1,0,1,0,0|1,0,0]=3 17737 B12R2.115 CC1OC1c2ccccc2F Amb24433748 [0,1,0,1,0,0|2,0,0]=4 17738 B12R2.115 Cc1ccccc1C2CC2Cl Amb27863768 [0,1,0,1,0,0|1,0,0]=3 17739 B12R2.115 Cc1ccccc1C2CC2N Amb19374843 [0,1,0,1,0,0|1,0,0]=3 17740 B12R2.115 Cc1ccccc1C2CC2N Amb9677208 [0,1,0,1,0,0|1,0,0]=3 17741 B12R2.115 Cc1ccccc1[C@@H]2C[C@H]2N Amb24560305 [0,1,0,1,0,0|1,0,0]=3 17742 B12R2.115 Cc1ccccc1[C@@H]2C[C@H]2N Amb32663427 [0,1,0,1,0,0|1,0,0]=3 17743 B12R2.115 Cc1cccnc1C2CC2N Amb33449954 [0,1,0,1,0,0|2,0,0]=4 17744 B12R2.115 Cc1cccnc1[C@@H]2C[C@H]2N Amb33429010 [0,1,0,1,0,0|2,0,0]=4 17745 B12R2.115 Cc1ccncc1C2CC2N Amb25824994 [0,1,0,1,0,0|2,0,0]=4 17746 B12R2.115 Cc1ccncc1[C@@H]2C[C@H]2N Amb33377454 [0,1,0,1,0,0|2,0,0]=4 17747 B12R2.115 Cc1cnccc1C2CC2N Amb25984414 [0,1,0,1,0,0|2,0,0]=4 17748 B12R2.115 Cc1cnccc1[C@@H]2C[C@H]2N Amb33414498 [0,1,0,1,0,0|2,0,0]=4 17749 B12R2.115 Cc1ncccc1C2CC2N Amb33359400 [0,1,0,1,0,0|2,0,0]=4 17750 B12R2.115 Cc1ncccc1[C@@H]2C[C@H]2N Amb32879597 [0,1,0,1,0,0|2,0,0]=4 17751 B12R2.115 Clc1ccccc1C2CC2Br Amb23454909 [0,1,0,1,0,0|1,0,0]=3 17752 B12R2.115 Clc1ccccc1[C@@H]2C[C@H]2Br Amb27814773 [0,1,0,1,0,0|1,0,0]=3 17753 B12R2.115 Fc1ccccc1[C@@H]2C[C@H]2Br Amb27592280 [0,1,0,1,0,0|1,0,0]=3 17754 B12R2.115 NC1CC1c2ccccc2Br Amb19373270 [0,1,0,1,0,0|1,0,0]=3 17755 B12R2.115 NC1CC1c2ccccc2Br Amb9677239 [0,1,0,1,0,0|1,0,0]=3 17756 B12R2.115 NC1CC1c2ccccc2Cl Amb19346493 [0,1,0,1,0,0|1,0,0]=3 17757 B12R2.115 NC1CC1c2ccccc2Cl Amb9677226 [0,1,0,1,0,0|1,0,0]=3 17758 B12R2.115 NC1CC1c2ccccc2F Amb19514922 [0,1,0,1,0,0|1,0,0]=3 17759 B12R2.115 NC1CC1c2ccccc2F Amb9677241 [0,1,0,1,0,0|1,0,0]=3 17760 B12R2.115 NC1CC1c2ccccc2O Amb25223496 [0,1,0,1,0,0|1,0,0]=3 17761 B12R2.115 NC1CC1c2cccnc2Br Amb33387464 [0,1,0,1,0,0|2,0,0]=4 17762 B12R2.115 NC1CC1c2cccnc2Cl Amb32750173 [0,1,0,1,0,0|2,0,0]=4 17763 B12R2.115 NC1CC1c2cccnc2F Amb33449938 [0,1,0,1,0,0|2,0,0]=4 17764 B12R2.115 NC1CC1c2ccncc2Br Amb33451416 [0,1,0,1,0,0|2,0,0]=4 17765 B12R2.115 NC1CC1c2ccncc2Cl Amb33406652 [0,1,0,1,0,0|2,0,0]=4 17766 B12R2.115 NC1CC1c2ccncc2F Amb33474945 [0,1,0,1,0,0|2,0,0]=4 17767 B12R2.115 NC1CC1c2ncccc2Br Amb33335727 [0,1,0,1,0,0|2,0,0]=4 17768 B12R2.115 NC1CC1c2ncccc2F Amb33475022 [0,1,0,1,0,0|2,0,0]=4 17769 B12R2.115 NC1OC1c2ccccc2Br Amb28041353 [0,1,0,1,0,0|2,0,0]=4 17770 B12R2.115 N[C@@H]1C[C@@H]1c2ccccc2F Amb34916223 [0,1,0,1,0,0|1,0,0]=3 17771 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Br Amb26055453 [0,1,0,1,0,0|1,0,0]=3 17772 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Br Amb33473602 [0,1,0,1,0,0|1,0,0]=3 17773 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Cl Amb25095403 [0,1,0,1,0,0|1,0,0]=3 17774 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Cl Amb33473675 [0,1,0,1,0,0|1,0,0]=3 17775 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2F Amb26445730 [0,1,0,1,0,0|1,0,0]=3 17776 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2F Amb32663429 [0,1,0,1,0,0|1,0,0]=3 17777 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2O Amb33197211 [0,1,0,1,0,0|1,0,0]=3 17778 B12R2.115 N[C@@H]1C[C@H]1c2cccnc2Br Amb33387461 [0,1,0,1,0,0|2,0,0]=4 17779 B12R2.115 N[C@@H]1C[C@H]1c2cccnc2Cl Amb33257321 [0,1,0,1,0,0|2,0,0]=4 17780 B12R2.115 N[C@@H]1C[C@H]1c2cccnc2F Amb33378306 [0,1,0,1,0,0|2,0,0]=4 17781 B12R2.115 N[C@@H]1C[C@H]1c2ccncc2Br Amb33388249 [0,1,0,1,0,0|2,0,0]=4 17782 B12R2.115 N[C@@H]1C[C@H]1c2ccncc2Cl Amb33413572 [0,1,0,1,0,0|2,0,0]=4 17783 B12R2.115 N[C@@H]1C[C@H]1c2ccncc2F Amb33374491 [0,1,0,1,0,0|2,0,0]=4 17784 B12R2.115 N[C@@H]1C[C@H]1c2ncccc2Br Amb33335719 [0,1,0,1,0,0|2,0,0]=4 17785 B12R2.115 N[C@@H]1C[C@H]1c2ncccc2F Amb33419176 [0,1,0,1,0,0|2,0,0]=4 17786 B12R2.196 CC1CNc2c(Br)cccc21 Amb26371262 [0,1,0,1,0,0|2,0,0]=4 17787 B12R2.196 CC1CNc2c(Cl)cccc21 Amb18063135 [0,1,0,1,0,0|2,0,0]=4 17788 B12R2.196 CC1CNc2c(F)cccc21 Amb18063405 [0,1,0,1,0,0|2,0,0]=4 17789 B12R2.196 CC1CNc2c(N)cccc21 Amb32658300 [0,1,0,1,0,0|2,0,0]=4 17790 B12R2.196 CC1COc2c(F)cccc21 Amb27410107 [0,1,0,1,0,0|2,0,0]=4 17791 B12R2.196 CC1NCc2c(Cl)cccc21 Amb27780174 [0,1,0,1,0,0|2,0,0]=4 17792 B12R2.196 CC1NCc2c(N)cccc21 Amb27764050 [0,1,0,1,0,0|2,0,0]=4 17793 B12R2.196 CN1CCc2c(N)cccc21 Amb18669647 [0,1,0,1,0,0|2,0,0]=4 17794 B12R2.196 CN1CCc2c(O)cccc21 Amb17593716 [0,1,0,1,0,0|2,0,0]=4 17795 B12R2.196 C[C@@H]1NCc2c(F)cccc21 Amb27823682 [0,1,0,1,0,0|2,0,0]=4 17796 B12R2.196 C[C@@H]1NCc2c(I)cccc21 Amb27237017 [0,1,0,1,0,0|2,0,0]=4 17797 B12R2.196 C[C@H]1NCc2c(Br)cccc21 Amb28284902 [0,1,0,1,0,0|2,0,0]=4 17798 B12R2.196 Cc1cccc2c1CCC2=O Amb4605923 [0,1,0,1,0,0|0,0,2]=4 17799 B12R2.196 Cc1cccc2c1CCC2Cl Amb17087981 [0,1,0,1,0,0|1,0,0]=3 17800 B12R2.196 Cc1cccc2c1CCC2F Amb28208696 [0,1,0,1,0,0|1,0,0]=3 17801 B12R2.196 Cc1cccc2c1CCC2N Amb19514831 [0,1,0,1,0,0|1,0,0]=3 17802 B12R2.196 Cc1cccc2c1CCC2N Amb9735877 [0,1,0,1,0,0|1,0,0]=3 17803 B12R2.196 Cc1cccc2c1CCC2O Amb17087931 [0,1,0,1,0,0|0,0,0]=2 17804 B12R2.196 Cc1cccc2c1CCN2C Amb28365675 [0,1,0,1,0,0|2,0,0]=4 17805 B12R2.196 Cc1cccc2c1CC[C@@H]2N Amb31289668 [0,1,0,1,0,0|1,0,0]=3 17806 B12R2.196 Cc1cccc2c1CC[C@H]2N Amb26934915 [0,1,0,1,0,0|1,0,0]=3 17807 B12R2.196 Cc1cccc2c1CNC2C Amb27663354 [0,1,0,1,0,0|2,0,0]=4 17808 B12R2.196 Cc1cccc2c1CN[C@@H]2C Amb27858274 [0,1,0,1,0,0|2,0,0]=4 17809 B12R2.196 Cc1cccc2c1COB2O Amb24591278 [0,1,0,1,0,0|2,0,0]=4 17810 B12R2.196 Cc1cccc2c1NCC2C Amb17040659 [0,1,0,1,0,0|2,0,0]=4 17811 B12R2.196 Cc1cccc2c1OCC2N Amb9735888 [0,1,0,1,0,0|2,0,0]=4 17812 B12R2.196 Cc1cccc2c1OC[C@@H]2N Amb24589207 [0,1,0,1,0,0|2,0,0]=4 17813 B12R2.196 Cc1cncc2c1CC[C@@H]2C Amb27227960 [0,1,0,1,0,0|2,0,0]=4 17814 B12R2.196 ClC1CCc2c(Br)cccc21 Amb22059235 [0,1,0,1,0,0|1,0,0]=3 17815 B12R2.196 Clc1cccc2c1CCC2Cl Amb17087984 [0,1,0,1,0,0|1,0,0]=3 17816 B12R2.196 FC1CCc2c(Br)cccc21 Amb27816681 [0,1,0,1,0,0|1,0,0]=3 17817 B12R2.196 FC1CCc2c(Cl)cccc21 Amb27794950 [0,1,0,1,0,0|1,0,0]=3 17818 B12R2.196 Fc1cccc2c1CCC2Br Amb20623563 [0,1,0,1,0,0|1,0,0]=3 17819 B12R2.196 Fc1cccc2c1CCC2Cl Amb33538441 [0,1,0,1,0,0|1,0,0]=3 17820 B12R2.196 Fc1cccc2c1CCC2S Amb27643018 [0,1,0,1,0,0|0,1,0]=3 17821 B12R2.196 NC1CCc2c(Br)cccc21 Amb19342600 [0,1,0,1,0,0|1,0,0]=3 17822 B12R2.196 NC1CCc2c(Br)cccc21 Amb6683470 [0,1,0,1,0,0|1,0,0]=3 17823 B12R2.196 NC1CCc2c(Br)cncc21 Amb27805487 [0,1,0,1,0,0|2,0,0]=4 17824 B12R2.196 NC1CCc2c(Cl)cccc21 Amb10609924 [0,1,0,1,0,0|1,0,0]=3 17825 B12R2.196 NC1CCc2c(Cl)cccc21 Amb2383228 [0,1,0,1,0,0|1,0,0]=3 17826 B12R2.196 NC1CCc2c(F)cccc21 Amb10609944 [0,1,0,1,0,0|1,0,0]=3 17827 B12R2.196 NC1CCc2c(F)cccc21 Amb9735878 [0,1,0,1,0,0|1,0,0]=3 17828 B12R2.196 NC1CCc2c(O)cccc21 Amb32661676 [0,1,0,1,0,0|1,0,0]=3 17829 B12R2.196 NC1CCc2c(O)cccc21 Amb9725461 [0,1,0,1,0,0|1,0,0]=3 17830 B12R2.196 NC1CNc2c(Cl)cccc21 Amb27445939 [0,1,0,1,0,0|2,0,0]=4 17831 B12R2.196 NC1COc2c(Br)cccc21 Amb31028992 [0,1,0,1,0,0|2,0,0]=4 17832 B12R2.196 NC1COc2c(Br)cccc21 Amb6683475 [0,1,0,1,0,0|2,0,0]=4 17833 B12R2.196 NC1COc2c(Cl)cccc21 Amb20626374 [0,1,0,1,0,0|2,0,0]=4 17834 B12R2.196 NC1COc2c(Cl)cccc21 Amb2383238 [0,1,0,1,0,0|2,0,0]=4 17835 B12R2.196 NC1COc2c(O)cccc21 Amb27873968 [0,1,0,1,0,0|2,0,0]=4 17836 B12R2.196 N[C@@H]1CCc2c(Br)cccc21 Amb22288665 [0,1,0,1,0,0|1,0,0]=3 17837 B12R2.196 N[C@@H]1CCc2c(Br)cccc21 Amb27230466 [0,1,0,1,0,0|1,0,0]=3 17838 B12R2.196 N[C@@H]1CCc2c(Cl)cccc21 Amb13953028 [0,1,0,1,0,0|1,0,0]=3 17839 B12R2.196 N[C@@H]1CCc2c(Cl)cccc21 Amb31289675 [0,1,0,1,0,0|1,0,0]=3 17840 B12R2.196 N[C@@H]1CCc2c(F)cccc21 Amb22288666 [0,1,0,1,0,0|1,0,0]=3 17841 B12R2.196 N[C@@H]1CCc2c(F)cccc21 Amb22746050 [0,1,0,1,0,0|1,0,0]=3 17842 B12R2.196 N[C@@H]1CCc2c(O)cccc21 Amb2699155 [0,1,0,1,0,0|1,0,0]=3 17843 B12R2.196 N[C@@H]1COc2c(Br)cccc21 Amb31028978 [0,1,0,1,0,0|2,0,0]=4 17844 B12R2.196 N[C@@H]1COc2c(Cl)cccc21 Amb30633907 [0,1,0,1,0,0|2,0,0]=4 17845 B12R2.196 N[C@@H]1COc2c(F)cccc21 Amb25060202 [0,1,0,1,0,0|2,0,0]=4 17846 B12R2.196 N[C@H]1CCc2c(Br)cccc21 Amb22288709 [0,1,0,1,0,0|1,0,0]=3 17847 B12R2.196 N[C@H]1CCc2c(Br)cccc21 Amb27794553 [0,1,0,1,0,0|1,0,0]=3 17848 B12R2.196 N[C@H]1CCc2c(Cl)cccc21 Amb13953027 [0,1,0,1,0,0|1,0,0]=3 17849 B12R2.196 N[C@H]1CCc2c(Cl)cccc21 Amb33457339 [0,1,0,1,0,0|1,0,0]=3 17850 B12R2.196 N[C@H]1CCc2c(F)cccc21 Amb16233799 [0,1,0,1,0,0|1,0,0]=3 17851 B12R2.196 N[C@H]1CCc2c(F)cccc21 Amb22388651 [0,1,0,1,0,0|1,0,0]=3 17852 B12R2.196 N[C@H]1CCc2c(I)cccc21 Amb27945476 [0,1,0,1,0,0|1,0,0]=3 17853 B12R2.196 N[C@H]1CCc2c(O)cccc21 Amb2699154 [0,1,0,1,0,0|1,0,0]=3 17854 B12R2.196 N[C@H]1CCc2c(S)cccc21 Amb27461350 [0,1,0,1,0,0|1,0,0]=3 17855 B12R2.196 N[C@H]1COc2c(Br)cccc21 Amb26395931 [0,1,0,1,0,0|2,0,0]=4 17856 B12R2.196 N[C@H]1COc2c(Cl)cccc21 Amb26433495 [0,1,0,1,0,0|2,0,0]=4 17857 B12R2.196 N[C@H]1COc2c(Cl)cccc21 Amb33872075 [0,1,0,1,0,0|2,0,0]=4 17858 B12R2.196 N[C@H]1COc2c(F)cccc21 Amb26478564 [0,1,0,1,0,0|2,0,0]=4 17859 B12R2.196 N[C@H]1COc2c(F)cccc21 Amb33872073 [0,1,0,1,0,0|2,0,0]=4 17860 B12R2.196 N[C@H]1COc2c(O)cccc21 Amb28145808 [0,1,0,1,0,0|2,0,0]=4 17861 B12R2.196 Nc1cccc2c1CCC2=O Amb10067615 [0,1,0,1,0,0|0,0,2]=4 17862 B12R2.196 Nc1cccc2c1CC[C@@H]2N Amb28145068 [0,1,0,1,0,0|1,0,0]=3 17863 B12R2.196 Nc1cccc2c1COB2O Amb27176247 [0,1,0,1,0,0|2,0,0]=4 17864 B12R2.196 Nc1cccc2c1OC[C@@H]2N Amb27786360 [0,1,0,1,0,0|2,0,0]=4 17865 B12R2.196 Nc1nccc2c1CC[C@@H]2N Amb33715209 [0,1,0,1,0,0|2,0,0]=4 17866 B12R2.196 Nc1nccc2c1CC[C@H]2N Amb34163646 [0,1,0,1,0,0|2,0,0]=4 17867 B12R2.196 O=C1CCc2c(Br)cccc21 Amb6683468 [0,1,0,1,0,0|0,0,2]=4 17868 B12R2.196 O=C1CCc2c(Cl)cccc21 Amb2383535 [0,1,0,1,0,0|0,0,2]=4 17869 B12R2.196 O=C1CCc2c(F)cccc21 Amb2383536 [0,1,0,1,0,0|0,0,2]=4 17870 B12R2.196 O=C1CCc2c(O)cccc21 Amb1158068 [0,1,0,1,0,0|0,0,2]=4 17871 B12R2.196 OB1OCc2c(Br)cccc21 Amb27153180 [0,1,0,1,0,0|2,0,0]=4 17872 B12R2.196 OB1OCc2c(Cl)cccc21 Amb26322413 [0,1,0,1,0,0|2,0,0]=4 17873 B12R2.196 OB1OCc2c(F)cccc21 Amb28200971 [0,1,0,1,0,0|2,0,0]=4 17874 B12R2.196 OB1OCc2c(O)cccc21 Amb25319915 [0,1,0,1,0,0|2,0,0]=4 17875 B12R2.196 OC1CCc2c(Br)cccc21 Amb20171517 [0,1,0,1,0,0|0,0,0]=2 17876 B12R2.196 OC1CCc2c(Br)cncc21 Amb26337804 [0,1,0,1,0,0|1,0,0]=3 17877 B12R2.196 OC1CCc2c(Cl)cccc21 Amb17087934 [0,1,0,1,0,0|0,0,0]=2 17878 B12R2.196 OC1CCc2c(Cl)ccnc21 Amb19957874 [0,1,0,1,0,0|1,0,0]=3 17879 B12R2.196 OC1CCc2c(F)cccc21 Amb17087933 [0,1,0,1,0,0|0,0,0]=2 17880 B12R2.196 OC1COc2c(Br)cccc21 Amb22751583 [0,1,0,1,0,0|1,0,0]=3 17881 B12R2.196 O[C@@H]1CCc2c(Br)cccc21 Amb22756414 [0,1,0,1,0,0|0,0,0]=2 17882 B12R2.196 O[C@@H]1CCc2c(Cl)cccc21 Amb13953026 [0,1,0,1,0,0|0,0,0]=2 17883 B12R2.196 O[C@@H]1CCc2c(Cl)ccnc21 Amb27969062 [0,1,0,1,0,0|1,0,0]=3 17884 B12R2.196 O[C@@H]1CCc2c(F)cccc21 Amb24432762 [0,1,0,1,0,0|0,0,0]=2 17885 B12R2.196 O[C@H]1CCc2c(Br)cccc21 Amb27596691 [0,1,0,1,0,0|0,0,0]=2 17886 B12R2.196 O[C@H]1CCc2c(Cl)cccc21 Amb13953025 [0,1,0,1,0,0|0,0,0]=2 17887 B12R2.196 O[C@H]1CCc2c(F)cccc21 Amb27664626 [0,1,0,1,0,0|0,0,0]=2 17888 B12R2.196 Oc1cccc2c1CCC2S Amb32788536 [0,1,0,1,0,0|0,1,0]=3 17889 B12R2.196 Oc1cccc2c1CCN2O Amb27971133 [0,1,0,1,0,0|1,0,0]=3 17890 B12R2.196 SC1CCc2c(Br)cccc21 Amb24352616 [0,1,0,1,0,0|0,1,0]=3 17891 B12R2.225 Brc1ccccc1CC2CO2 Amb25890766 [0,1,0,1,0,0|0,0,0]=2 17892 B12R2.225 Brc1ccccc1NC2CC2 Amb25922951 [0,1,0,1,0,0|2,0,0]=4 17893 B12R2.225 Brc1ccccc1OC2CC2 Amb25771923 [0,1,0,1,0,0|2,0,0]=4 17894 B12R2.225 Brc1ccccc1SC2CC2 Amb26505970 [0,1,0,1,0,0|2,0,0]=4 17895 B12R2.225 Brc1cccnc1CC2CO2 Amb33336088 [0,1,0,1,0,0|1,0,0]=3 17896 B12R2.225 Brc1cnccc1CC2CO2 Amb33388630 [0,1,0,1,0,0|1,0,0]=3 17897 B12R2.225 Brc1ncccc1CC2CO2 Amb33387840 [0,1,0,1,0,0|1,0,0]=3 17898 B12R2.225 Cc1ccccc1CC2CO2 Amb25122222 [0,1,0,1,0,0|0,0,0]=2 17899 B12R2.225 Cc1ccccc1NC2CC2 Amb27593469 [0,1,0,1,0,0|2,0,0]=4 17900 B12R2.225 Cc1cccnc1CC2CO2 Amb33428741 [0,1,0,1,0,0|1,0,0]=3 17901 B12R2.225 Cc1ccncc1CC2CO2 Amb25784408 [0,1,0,1,0,0|1,0,0]=3 17902 B12R2.225 Cc1cnccc1CC2CO2 Amb33424633 [0,1,0,1,0,0|1,0,0]=3 17903 B12R2.225 Cc1ncccc1CC2CO2 Amb32879704 [0,1,0,1,0,0|1,0,0]=3 17904 B12R2.225 Cc1nccnc1CC2CO2 Amb33142182 [0,1,0,1,0,0|2,0,0]=4 17905 B12R2.225 Cc1ncncc1CC2CO2 Amb33268102 [0,1,0,1,0,0|2,0,0]=4 17906 B12R2.225 Clc1ccccc1CC2CO2 Amb25094935 [0,1,0,1,0,0|0,0,0]=2 17907 B12R2.225 Clc1ccccc1OC2CC2 Amb27664627 [0,1,0,1,0,0|2,0,0]=4 17908 B12R2.225 Clc1cnccc1CC2CO2 Amb33413587 [0,1,0,1,0,0|1,0,0]=3 17909 B12R2.225 Clc1ncccc1CC2CO2 Amb33257354 [0,1,0,1,0,0|1,0,0]=3 17910 B12R2.225 Fc1ccccc1CC2CO2 Amb27839801 [0,1,0,1,0,0|0,0,0]=2 17911 B12R2.225 Fc1ccccc1OC2CC2 Amb26871851 [0,1,0,1,0,0|2,0,0]=4 17912 B12R2.225 Fc1ccccc1SC2CC2 Amb24717992 [0,1,0,1,0,0|2,0,0]=4 17913 B12R2.225 Fc1cccnc1CC2CO2 Amb33418781 [0,1,0,1,0,0|1,0,0]=3 17914 B12R2.225 Fc1cnccc1CC2CO2 Amb26637281 [0,1,0,1,0,0|1,0,0]=3 17915 B12R2.225 Fc1ncccc1CC2CO2 Amb33377201 [0,1,0,1,0,0|1,0,0]=3 17916 B12R2.225 Ic1ccccc1OC2CC2 Amb25940708 [0,1,0,1,0,0|2,0,0]=4 17917 B12R2.225 Nc1ccccc1CC2CC2 Amb24117001 [0,1,0,1,0,0|1,0,0]=3 17918 B12R2.225 Nc1ccccc1NC2CC2 Amb28960308 [0,1,0,1,0,0|2,0,0]=4 17919 B12R2.225 Nc1ccccc1NC2CC2 Amb9205213 [0,1,0,1,0,0|2,0,0]=4 17920 B12R2.225 Nc1ccccc1OC2CC2 Amb26322391 [0,1,0,1,0,0|2,0,0]=4 17921 B12R2.225 Nc1ccccc1SC2CC2 Amb25302953 [0,1,0,1,0,0|2,0,0]=4 17922 B12R2.225 Nc1ccncc1CC2CC2 Amb27448590 [0,1,0,1,0,0|2,0,0]=4 17923 B12R2.225 O=C1C=CC=NN1CC2CO2 Amb18179414 [0,1,0,1,0,0|2,0,0]=4 17924 B12R2.225 O=C1C=CN=CN1C[C@H]2CO2 Amb27752600 [0,1,0,1,0,0|2,0,0]=4 17925 B12R2.225 O=C1N=CC=CN1CC2CO2 Amb18181707 [0,1,0,1,0,0|2,0,0]=4 17926 B12R2.225 O=C1N=CC=CN1C[C@@H]2CO2 Amb27494233 [0,1,0,1,0,0|2,0,0]=4 17927 B12R2.225 Oc1ccccc1CC2CC2 Amb22752448 [0,1,0,1,0,0|1,0,0]=3 17928 B12R2.225 Oc1ccccc1OC2CC2 Amb8390104 [0,1,0,1,0,0|2,0,0]=4 17929 B12R2.306 N#CC1Cc2c(Cl)cccc21 Amb27210977 [0,1,0,1,0,0|1,0,1]=4 17930 B12R2.306 N#CC1Cc2c(F)cccc21 Amb27840369 [0,1,0,1,0,0|1,0,1]=4 17931 B12R2.517 Brc1ccccc1C2CCC2 Amb20617096 [0,1,0,1,0,0|1,0,0]=3 17932 B12R2.517 Brc1ccccc1C2CCN2 Amb27871922 [0,1,0,1,0,0|1,0,0]=3 17933 B12R2.517 Brc1ccccc1C2CCO2 Amb32992865 [0,1,0,1,0,0|0,0,0]=2 17934 B12R2.517 Brc1ccccc1C2CNC2 Amb27441459 [0,1,0,1,0,0|2,0,0]=4 17935 B12R2.517 Brc1ccccc1C2CNC2 Amb27614578 [0,1,0,1,0,0|2,0,0]=4 17936 B12R2.517 Brc1ccccc1C2COC2 Amb28348738 [0,1,0,1,0,0|2,0,0]=4 17937 B12R2.517 Brc1cccnc1C2CCN2 Amb25890769 [0,1,0,1,0,0|2,0,0]=4 17938 B12R2.517 Brc1ccncc1C2CCC2 Amb20617516 [0,1,0,1,0,0|2,0,0]=4 17939 B12R2.517 Brc1ccncc1C2CCN2 Amb27393487 [0,1,0,1,0,0|2,0,0]=4 17940 B12R2.517 Brc1cnccc1C2CCN2 Amb25103778 [0,1,0,1,0,0|2,0,0]=4 17941 B12R2.517 Brc1cnccc1C2CCO2 Amb25891761 [0,1,0,1,0,0|1,0,0]=3 17942 B12R2.517 Brc1cnccc1[C@@H]2CCN2 Amb27605977 [0,1,0,1,0,0|2,0,0]=4 17943 B12R2.517 Brc1ncccc1C2CCC2 Amb24319276 [0,1,0,1,0,0|2,0,0]=4 17944 B12R2.517 Brc1ncccc1C2CCN2 Amb24663934 [0,1,0,1,0,0|2,0,0]=4 17945 B12R2.517 Cc1ccccc1C2CCN2 Amb26505394 [0,1,0,1,0,0|1,0,0]=3 17946 B12R2.517 Cc1ccccc1C2CNC2 Amb18065237 [0,1,0,1,0,0|2,0,0]=4 17947 B12R2.517 Cc1ccccc1C2COC2 Amb28070666 [0,1,0,1,0,0|2,0,0]=4 17948 B12R2.517 Cc1cccnc1C2CCN2 Amb24715730 [0,1,0,1,0,0|2,0,0]=4 17949 B12R2.517 Cc1cccnc1[C@H]2CCN2 Amb27473271 [0,1,0,1,0,0|2,0,0]=4 17950 B12R2.517 Cc1ccncc1C2CCN2 Amb24597648 [0,1,0,1,0,0|2,0,0]=4 17951 B12R2.517 Cc1ccncc1[C@@H]2CCN2 Amb27202731 [0,1,0,1,0,0|2,0,0]=4 17952 B12R2.517 Cc1ccncc1[C@H]2CCN2 Amb27759925 [0,1,0,1,0,0|2,0,0]=4 17953 B12R2.517 Cc1cnccc1C2CCN2 Amb28289806 [0,1,0,1,0,0|2,0,0]=4 17954 B12R2.517 Cc1cnccc1[C@@H]2CCN2 Amb28423437 [0,1,0,1,0,0|2,0,0]=4 17955 B12R2.517 Cc1ncccc1C2CCN2 Amb27168693 [0,1,0,1,0,0|2,0,0]=4 17956 B12R2.517 Cc1ncccc1[C@H]2CCN2 Amb28285338 [0,1,0,1,0,0|2,0,0]=4 17957 B12R2.517 Clc1ccccc1C2CCN2 Amb23555564 [0,1,0,1,0,0|1,0,0]=3 17958 B12R2.517 Clc1ccccc1C2CNC2 Amb18563825 [0,1,0,1,0,0|2,0,0]=4 17959 B12R2.517 Clc1ccccc1C2CNC2 Amb30588621 [0,1,0,1,0,0|2,0,0]=4 17960 B12R2.517 Clc1ccccc1[C@H]2CCN2 Amb27975768 [0,1,0,1,0,0|1,0,0]=3 17961 B12R2.517 Clc1cccnc1C2CCC2 Amb24082820 [0,1,0,1,0,0|2,0,0]=4 17962 B12R2.517 Clc1cccnc1C2CCN2 Amb28456491 [0,1,0,1,0,0|2,0,0]=4 17963 B12R2.517 Clc1cccnc1[C@H]2CCN2 Amb27655620 [0,1,0,1,0,0|2,0,0]=4 17964 B12R2.517 Clc1cnccc1C2CCN2 Amb28197720 [0,1,0,1,0,0|2,0,0]=4 17965 B12R2.517 Clc1ncccc1C2CCC2 Amb24319277 [0,1,0,1,0,0|2,0,0]=4 17966 B12R2.517 Clc1ncccc1C2CCN2 Amb25118003 [0,1,0,1,0,0|2,0,0]=4 17967 B12R2.517 Clc1ncccc1[C@@H]2CCN2 Amb27975682 [0,1,0,1,0,0|2,0,0]=4 17968 B12R2.517 Fc1ccccc1C2CCN2 Amb20623300 [0,1,0,1,0,0|1,0,0]=3 17969 B12R2.517 Fc1ccccc1C2CCN2 Amb22059455 [0,1,0,1,0,0|1,0,0]=3 17970 B12R2.517 Fc1ccccc1C2CNC2 Amb18065350 [0,1,0,1,0,0|2,0,0]=4 17971 B12R2.517 Fc1ccccc1C2CNC2 Amb32661026 [0,1,0,1,0,0|2,0,0]=4 17972 B12R2.517 Fc1ccccc1C2CNC2 Amb33552598 [0,1,0,1,0,0|2,0,0]=4 17973 B12R2.517 Fc1ccccc1[C@H]2CCN2 Amb28072859 [0,1,0,1,0,0|1,0,0]=3 17974 B12R2.517 Fc1cccnc1C2CCN2 Amb25151355 [0,1,0,1,0,0|2,0,0]=4 17975 B12R2.517 Fc1cccnc1[C@@H]2CCN2 Amb27630652 [0,1,0,1,0,0|2,0,0]=4 17976 B12R2.517 Fc1cnccc1C2CCN2 Amb26918101 [0,1,0,1,0,0|2,0,0]=4 17977 B12R2.517 Fc1ncccc1C2CCN2 Amb25694371 [0,1,0,1,0,0|2,0,0]=4 17978 B12R2.517 Fc1ncccc1[C@@H]2CCN2 Amb27873994 [0,1,0,1,0,0|2,0,0]=4 17979 B12R2.517 Ic1ccccc1C2CCN2 Amb25047375 [0,1,0,1,0,0|1,0,0]=3 17980 B12R2.517 Ic1ccccc1C2COC2 Amb25871542 [0,1,0,1,0,0|2,0,0]=4 17981 B12R2.517 Nc1ccccc1C2CCC2 Amb20617097 [0,1,0,1,0,0|1,0,0]=3 17982 B12R2.517 Nc1ccccc1C2CCC2 Amb31156619 [0,1,0,1,0,0|1,0,0]=3 17983 B12R2.517 Nc1ccccc1C2CCN2 Amb24484457 [0,1,0,1,0,0|1,0,0]=3 17984 B12R2.517 Nc1cccnc1C2CCC2 Amb22737142 [0,1,0,1,0,0|2,0,0]=4 17985 B12R2.517 Nc1ccncc1C2CCN2 Amb27222281 [0,1,0,1,0,0|2,0,0]=4 17986 B12R2.517 Nc1ccncc1[C@H]2CCN2 Amb27249538 [0,1,0,1,0,0|2,0,0]=4 17987 B12R2.517 Nc1ncccc1C2CCC2 Amb24319278 [0,1,0,1,0,0|2,0,0]=4 17988 B12R2.517 Nc1ncccc1C2CCN2 Amb27222346 [0,1,0,1,0,0|2,0,0]=4 17989 B12R2.517 Nc1ncccc1[C@@H]2CCN2 Amb27985267 [0,1,0,1,0,0|2,0,0]=4 17990 B12R2.517 Oc1ccccc1C2CCC2 Amb20617098 [0,1,0,1,0,0|1,0,0]=3 17991 B12R2.517 Oc1ccccc1C2CCN2 Amb24715881 [0,1,0,1,0,0|1,0,0]=3 17992 B12R2.517 Oc1ccccc1C2CCO2 Amb32641912 [0,1,0,1,0,0|0,0,0]=2 17993 B12R2.517 Oc1ccccc1C2CNC2 Amb22228635 [0,1,0,1,0,0|2,0,0]=4 17994 B12R2.517 Oc1ccccc1C2COC2 Amb22737352 [0,1,0,1,0,0|2,0,0]=4 17995 B12R2.517 Oc1cccnc1[C@@H]2CCN2 Amb28046893 [0,1,0,1,0,0|2,0,0]=4 17996 B12R2.517 Sc1ccccc1C2CCN2 Amb27948429 [0,1,0,1,0,0|1,0,0]=3 17997 B12R2.517 Sc1ccccc1C2CNC2 Amb27862428 [0,1,0,1,0,0|2,0,0]=4 17998 B12R2.80 Brc1cncc(C2CC2Br)c1 Amb29854061 [0,1,0,1,0,0|2,0,0]=4 17999 B12R2.80 Brc1cncc([C@@H]2C[C@H]2Br)c1 Amb29854016 [0,1,0,1,0,0|2,0,0]=4 18000 B12R2.80 CC1OC1c2cccc(Cl)c2 Amb1138203 [0,1,0,1,0,0|2,0,0]=4 18001 B12R2.80 C[C@@H]1C[C@H]1c2cccc(F)c2 Amb27423866 [0,1,0,1,0,0|1,0,0]=3 18002 B12R2.80 C[C@@H]1O[C@H]1c2cccc(Cl)c2 Amb32667301 [0,1,0,1,0,0|2,0,0]=4 18003 B12R2.80 Cc1cc(C2CC2N)ccn1 Amb33475162 [0,1,0,1,0,0|2,0,0]=4 18004 B12R2.80 Cc1cc([C@@H]2C[C@H]2N)ccn1 Amb33268212 [0,1,0,1,0,0|2,0,0]=4 18005 B12R2.80 Cc1cccc(C2CC2N)c1 Amb9677177 [0,1,0,1,0,0|1,0,0]=3 18006 B12R2.80 Cc1cccc(C2CC2N)n1 Amb33079883 [0,1,0,1,0,0|2,0,0]=4 18007 B12R2.80 Cc1cccc(C2CC2O)c1 Amb27225134 [0,1,0,1,0,0|0,0,0]=2 18008 B12R2.80 Cc1cccc([C@@H]2C[C@H]2Br)c1 Amb27478672 [0,1,0,1,0,0|1,0,0]=3 18009 B12R2.80 Cc1cccc([C@@H]2C[C@H]2N)c1 Amb24100230 [0,1,0,1,0,0|1,0,0]=3 18010 B12R2.80 Cc1cccc([C@@H]2C[C@H]2N)n1 Amb33199980 [0,1,0,1,0,0|2,0,0]=4 18011 B12R2.80 Cc1ccnc(C2CC2N)c1 Amb33224289 [0,1,0,1,0,0|2,0,0]=4 18012 B12R2.80 Cc1ccnc([C@@H]2C[C@H]2N)c1 Amb33318399 [0,1,0,1,0,0|2,0,0]=4 18013 B12R2.80 Cc1cncc(C2CC2N)c1 Amb33172509 [0,1,0,1,0,0|2,0,0]=4 18014 B12R2.80 Cc1cncc([C@@H]2C[C@H]2N)c1 Amb33318315 [0,1,0,1,0,0|2,0,0]=4 18015 B12R2.80 Clc1cccc(C2CC2Cl)c1 Amb27237656 [0,1,0,1,0,0|1,0,0]=3 18016 B12R2.80 Clc1cccc([C@@H]2C[C@H]2Br)c1 Amb27220998 [0,1,0,1,0,0|1,0,0]=3 18017 B12R2.80 Fc1cccc(C2CC2Br)c1 Amb23454927 [0,1,0,1,0,0|1,0,0]=3 18018 B12R2.80 Fc1cccc([C@@H]2C[C@H]2Br)c1 Amb26438558 [0,1,0,1,0,0|1,0,0]=3 18019 B12R2.80 Fc1cncc([C@@H]2C[C@H]2Br)c1 Amb27975607 [0,1,0,1,0,0|2,0,0]=4 18020 B12R2.80 NC1CC1c2cc(Cl)ccn2 Amb33261412 [0,1,0,1,0,0|2,0,0]=4 18021 B12R2.80 NC1CC1c2cc(F)ccn2 Amb33414592 [0,1,0,1,0,0|2,0,0]=4 18022 B12R2.80 NC1CC1c2cccc(Br)c2 Amb19346489 [0,1,0,1,0,0|1,0,0]=3 18023 B12R2.80 NC1CC1c2cccc(Br)c2 Amb9677218 [0,1,0,1,0,0|1,0,0]=3 18024 B12R2.80 NC1CC1c2cccc(Br)n2 Amb33432780 [0,1,0,1,0,0|2,0,0]=4 18025 B12R2.80 NC1CC1c2cccc(Cl)c2 Amb19374842 [0,1,0,1,0,0|1,0,0]=3 18026 B12R2.80 NC1CC1c2cccc(Cl)c2 Amb8389498 [0,1,0,1,0,0|1,0,0]=3 18027 B12R2.80 NC1CC1c2cccc(Cl)n2 Amb33220766 [0,1,0,1,0,0|2,0,0]=4 18028 B12R2.80 NC1CC1c2cccc(F)c2 Amb19514818 [0,1,0,1,0,0|1,0,0]=3 18029 B12R2.80 NC1CC1c2cccc(F)c2 Amb9677176 [0,1,0,1,0,0|1,0,0]=3 18030 B12R2.80 NC1CC1c2cccc(O)c2 Amb17568188 [0,1,0,1,0,0|1,0,0]=3 18031 B12R2.80 NC1CC1c2ccnc(Cl)c2 Amb33390716 [0,1,0,1,0,0|2,0,0]=4 18032 B12R2.80 NC1CC1c2cncc(Br)c2 Amb26558277 [0,1,0,1,0,0|2,0,0]=4 18033 B12R2.80 NC1CC1c2cncc(F)c2 Amb33474362 [0,1,0,1,0,0|2,0,0]=4 18034 B12R2.80 N[C@@H]1C[C@@H]1c2cccc(Cl)c2 Amb34915313 [0,1,0,1,0,0|1,0,0]=3 18035 B12R2.80 N[C@@H]1C[C@@H]1c2cccc(F)c2 Amb34916532 [0,1,0,1,0,0|1,0,0]=3 18036 B12R2.80 N[C@@H]1C[C@H]1c2cc(F)ccn2 Amb33414597 [0,1,0,1,0,0|2,0,0]=4 18037 B12R2.80 N[C@@H]1C[C@H]1c2cccc(Br)c2 Amb25307909 [0,1,0,1,0,0|1,0,0]=3 18038 B12R2.80 N[C@@H]1C[C@H]1c2cccc(Br)c2 Amb32663465 [0,1,0,1,0,0|1,0,0]=3 18039 B12R2.80 N[C@@H]1C[C@H]1c2cccc(Br)n2 Amb33432777 [0,1,0,1,0,0|2,0,0]=4 18040 B12R2.80 N[C@@H]1C[C@H]1c2cccc(Cl)c2 Amb25683521 [0,1,0,1,0,0|1,0,0]=3 18041 B12R2.80 N[C@@H]1C[C@H]1c2cccc(Cl)c2 Amb33032246 [0,1,0,1,0,0|1,0,0]=3 18042 B12R2.80 N[C@@H]1C[C@H]1c2cccc(Cl)n2 Amb33223322 [0,1,0,1,0,0|2,0,0]=4 18043 B12R2.80 N[C@@H]1C[C@H]1c2cccc(F)c2 Amb24100228 [0,1,0,1,0,0|1,0,0]=3 18044 B12R2.80 N[C@@H]1C[C@H]1c2cccc(F)c2 Amb33313468 [0,1,0,1,0,0|1,0,0]=3 18045 B12R2.80 N[C@@H]1C[C@H]1c2cccc(O)c2 Amb27196217 [0,1,0,1,0,0|1,0,0]=3 18046 B12R2.80 N[C@@H]1C[C@H]1c2cncc(Br)c2 Amb33389102 [0,1,0,1,0,0|2,0,0]=4 18047 B12R2.80 N[C@@H]1C[C@H]1c2cncc(F)c2 Amb33196676 [0,1,0,1,0,0|2,0,0]=4 18048 B12R2.80 OC1CC1c2cccc(Cl)c2 Amb27965819 [0,1,0,1,0,0|0,0,0]=2 18049 B12R2.203 CC1CNc2cccc(Cl)c21 Amb28286836 [0,1,0,1,0,0|2,0,0]=4 18050 B12R2.203 CC1NCc2cccc(F)c21 Amb27960934 [0,1,0,1,0,0|2,0,0]=4 18051 B12R2.203 CC1NCc2cccc(I)c21 Amb27447843 [0,1,0,1,0,0|2,0,0]=4 18052 B12R2.203 CN1CCc2cccc(Br)c21 Amb18770838 [0,1,0,1,0,0|2,0,0]=4 18053 B12R2.203 CN1CCc2cccc(Cl)c21 Amb27946984 [0,1,0,1,0,0|2,0,0]=4 18054 B12R2.203 CN1CCc2cccc(N)c21 Amb18202211 [0,1,0,1,0,0|2,0,0]=4 18055 B12R2.203 C[C@@H]1NCc2cccc(Br)c21 Amb27248669 [0,1,0,1,0,0|2,0,0]=4 18056 B12R2.203 C[C@@H]1NCc2cccc(O)c21 Amb27264570 [0,1,0,1,0,0|2,0,0]=4 18057 B12R2.203 Cc1cccc2c1B(O)OC2 Amb25726432 [0,1,0,1,0,0|2,0,0]=4 18058 B12R2.203 Cc1cccc2c1C(=O)CC2 Amb16232631 [0,1,0,1,0,0|0,0,2]=4 18059 B12R2.203 Cc1cccc2c1C(N)CC2 Amb26554001 [0,1,0,1,0,0|1,0,0]=3 18060 B12R2.203 Cc1cccc2c1C(O)CC2 Amb22886909 [0,1,0,1,0,0|0,0,0]=2 18061 B12R2.203 Cc1cccc2c1N(N)CC2 Amb27966297 [0,1,0,1,0,0|2,0,0]=4 18062 B12R2.203 Cc1cccc2c1[C@H](N)CC2 Amb24398373 [0,1,0,1,0,0|1,0,0]=3 18063 B12R2.203 FC1CCc2cccc(Br)c21 Amb27816661 [0,1,0,1,0,0|1,0,0]=3 18064 B12R2.203 NC1CCc2cccc(Br)c21 Amb24667972 [0,1,0,1,0,0|1,0,0]=3 18065 B12R2.203 NC1CCc2cccc(Br)c21 Amb30869304 [0,1,0,1,0,0|1,0,0]=3 18066 B12R2.203 NC1CCc2cccc(Cl)c21 Amb26980827 [0,1,0,1,0,0|1,0,0]=3 18067 B12R2.203 NC1CCc2cccc(F)c21 Amb25279315 [0,1,0,1,0,0|1,0,0]=3 18068 B12R2.203 NC1CCc2cccc(I)c21 Amb27167666 [0,1,0,1,0,0|1,0,0]=3 18069 B12R2.203 NC1CCc2cccc(O)c21 Amb25800015 [0,1,0,1,0,0|1,0,0]=3 18070 B12R2.203 NC1COc2cccc(Br)c21 Amb24428244 [0,1,0,1,0,0|2,0,0]=4 18071 B12R2.203 NC1COc2cccc(Cl)c21 Amb26033515 [0,1,0,1,0,0|2,0,0]=4 18072 B12R2.203 NC1COc2cccc(Cl)c21 Amb28872333 [0,1,0,1,0,0|2,0,0]=4 18073 B12R2.203 NC1COc2cccc(F)c21 Amb27657791 [0,1,0,1,0,0|2,0,0]=4 18074 B12R2.203 NC1COc2cccc(F)c21 Amb31291603 [0,1,0,1,0,0|2,0,0]=4 18075 B12R2.203 NC1COc2cccc(I)c21 Amb27202715 [0,1,0,1,0,0|2,0,0]=4 18076 B12R2.203 NC1COc2cccc(O)c21 Amb27426677 [0,1,0,1,0,0|2,0,0]=4 18077 B12R2.203 N[C@@H]1CCc2cccc(Br)c21 Amb27945487 [0,1,0,1,0,0|1,0,0]=3 18078 B12R2.203 N[C@@H]1CCc2cccc(F)c21 Amb26872264 [0,1,0,1,0,0|1,0,0]=3 18079 B12R2.203 N[C@@H]1CCc2cccc(O)c21 Amb24700449 [0,1,0,1,0,0|1,0,0]=3 18080 B12R2.203 N[C@@H]1COc2cccc(Br)c21 Amb27259296 [0,1,0,1,0,0|2,0,0]=4 18081 B12R2.203 N[C@@H]1COc2cccc(Cl)c21 Amb25335511 [0,1,0,1,0,0|2,0,0]=4 18082 B12R2.203 N[C@@H]1COc2cccc(F)c21 Amb24377677 [0,1,0,1,0,0|2,0,0]=4 18083 B12R2.203 N[C@@H]1COc2cccc(O)c21 Amb27860300 [0,1,0,1,0,0|2,0,0]=4 18084 B12R2.203 N[C@H]1CCc2cccc(F)c21 Amb25861404 [0,1,0,1,0,0|1,0,0]=3 18085 B12R2.203 N[C@H]1CCc2cccc(F)c21 Amb33872248 [0,1,0,1,0,0|1,0,0]=3 18086 B12R2.203 N[C@H]1CCc2cccc(O)c21 Amb25068419 [0,1,0,1,0,0|1,0,0]=3 18087 B12R2.203 N[C@H]1COc2cccc(Br)c21 Amb25322414 [0,1,0,1,0,0|2,0,0]=4 18088 B12R2.203 N[C@H]1COc2cccc(Cl)c21 Amb25923232 [0,1,0,1,0,0|2,0,0]=4 18089 B12R2.203 N[C@H]1COc2cccc(Cl)c21 Amb33872074 [0,1,0,1,0,0|2,0,0]=4 18090 B12R2.203 N[C@H]1COc2cccc(F)c21 Amb28291445 [0,1,0,1,0,0|2,0,0]=4 18091 B12R2.203 N[C@H]1COc2cccc(F)c21 Amb33872072 [0,1,0,1,0,0|2,0,0]=4 18092 B12R2.203 Nc1cccc2c1B(O)OC2 Amb26326569 [0,1,0,1,0,0|2,0,0]=4 18093 B12R2.203 Nc1cccc2c1C(=O)CC2 Amb10603890 [0,1,0,1,0,0|0,0,2]=4 18094 B12R2.203 Nc1cccc2c1C(F)CC2 Amb27229221 [0,1,0,1,0,0|1,0,0]=3 18095 B12R2.203 Nc1cccc2c1C(O)CC2 Amb28364281 [0,1,0,1,0,0|0,0,0]=2 18096 B12R2.203 Nc1cccc2c1[C@@H](N)CO2 Amb27644692 [0,1,0,1,0,0|2,0,0]=4 18097 B12R2.203 Nc1nccc2c1C(N)CC2 Amb33715212 [0,1,0,1,0,0|2,0,0]=4 18098 B12R2.203 O=C1CCc2cccc(Br)c21 Amb16232616 [0,1,0,1,0,0|0,0,2]=4 18099 B12R2.203 O=C1CCc2cccc(Cl)c21 Amb6296539 [0,1,0,1,0,0|0,0,2]=4 18100 B12R2.203 O=C1CCc2cccc(F)c21 Amb10603926 [0,1,0,1,0,0|0,0,2]=4 18101 B12R2.203 O=C1CCc2cccc(O)c21 Amb6296368 [0,1,0,1,0,0|0,0,2]=4 18102 B12R2.203 O=C1CCc2cccc(S)c21 Amb27949135 [0,1,0,1,0,0|0,0,2]=4 18103 B12R2.203 OB1OCc2cccc(F)c21 Amb26858878 [0,1,0,1,0,0|2,0,0]=4 18104 B12R2.203 OB1OCc2cccc(O)c21 Amb24396270 [0,1,0,1,0,0|2,0,0]=4 18105 B12R2.203 OC1CCc2cccc(Br)c21 Amb24439435 [0,1,0,1,0,0|0,0,0]=2 18106 B12R2.203 OC1CCc2cccc(Cl)c21 Amb27243919 [0,1,0,1,0,0|0,0,0]=2 18107 B12R2.203 OC1CCc2cccc(F)c21 Amb27953673 [0,1,0,1,0,0|0,0,0]=2 18108 B12R2.203 OC1CSc2cccc(Br)c21 Amb27977724 [0,1,0,1,0,0|1,0,0]=3 18109 B12R2.203 OC1OCc2cccc(F)c21 Amb27766595 [0,1,0,1,0,0|1,0,0]=3 18110 B12R2.203 Oc1cccc2c1C(S)CC2 Amb32788786 [0,1,0,1,0,0|0,1,0]=3 18111 B12R2.612 C=C1CCc2cc(Br)ccc21 Amb22229945 [0,1,0,1,0,0|1,0,1]=4 18112 B12R2.612 C=C1CCc2cc(Cl)ccc21 Amb24369315 [0,1,0,1,0,0|1,0,1]=4 18113 B12R2.612 C=C1CCc2cc(O)ccc21 Amb26965176 [0,1,0,1,0,0|1,0,1]=4 18114 B12R2.612 CC1CNc2cc(Br)ccc21 Amb25103823 [0,1,0,1,0,0|2,0,0]=4 18115 B12R2.612 CC1CNc2cc(N)ccc21 Amb28397894 [0,1,0,1,0,0|2,0,0]=4 18116 B12R2.612 CC1NCc2cc(Br)ccc21 Amb19516198 [0,1,0,1,0,0|2,0,0]=4 18117 B12R2.612 CC1NCc2cc(Br)ccc21 Amb20242991 [0,1,0,1,0,0|2,0,0]=4 18118 B12R2.612 CN1CCc2cc(Br)ccc21 Amb6572183 [0,1,0,1,0,0|2,0,0]=4 18119 B12R2.612 CN1CCc2cc(Cl)ccc21 Amb28365676 [0,1,0,1,0,0|2,0,0]=4 18120 B12R2.612 CN1CCc2cc(F)ccc21 Amb27158016 [0,1,0,1,0,0|2,0,0]=4 18121 B12R2.612 CN1CCc2cc(I)ccc21 Amb28410463 [0,1,0,1,0,0|2,0,0]=4 18122 B12R2.612 CN1CCc2cc(N)ccc21 Amb13952548 [0,1,0,1,0,0|2,0,0]=4 18123 B12R2.612 CN1CCc2cc(N)ccc21 Amb6572184 [0,1,0,1,0,0|2,0,0]=4 18124 B12R2.612 CN1CCc2cc(O)ccc21 Amb24606547 [0,1,0,1,0,0|2,0,0]=4 18125 B12R2.612 CN1CCc2cc(O)ccc21 Amb30584782 [0,1,0,1,0,0|2,0,0]=4 18126 B12R2.612 CN1CCc2cc(S)ccc21 Amb33224927 [0,1,0,1,0,0|2,0,0]=4 18127 B12R2.612 C[C@@H]1NCc2cc(Br)ccc21 Amb24561131 [0,1,0,1,0,0|2,0,0]=4 18128 B12R2.612 C[C@@H]1NCc2cc(F)ccc21 Amb27405980 [0,1,0,1,0,0|2,0,0]=4 18129 B12R2.612 C[C@H]1NCc2cc(Br)ccc21 Amb20242968 [0,1,0,1,0,0|2,0,0]=4 18130 B12R2.612 Cc1cc2c(cn1)C(N)CC2 Amb28131714 [0,1,0,1,0,0|2,0,0]=4 18131 B12R2.612 Cc1cc2c(cn1)C(N)CC2 Amb30647390 [0,1,0,1,0,0|2,0,0]=4 18132 B12R2.612 Cc1cc2c(cn1)[C@@H](N)CC2 Amb28142270 [0,1,0,1,0,0|2,0,0]=4 18133 B12R2.612 Cc1ccc2c(c1)CCC2=O Amb6667023 [0,1,0,1,0,0|0,0,2]=4 18134 B12R2.612 Cc1ccc2c(c1)CCC2Br Amb27841519 [0,1,0,1,0,0|1,0,0]=3 18135 B12R2.612 Cc1ccc2c(c1)CCC2F Amb27958885 [0,1,0,1,0,0|1,0,0]=3 18136 B12R2.612 Cc1ccc2c(c1)CCC2N Amb10609950 [0,1,0,1,0,0|1,0,0]=3 18137 B12R2.612 Cc1ccc2c(c1)CCC2N Amb6667024 [0,1,0,1,0,0|1,0,0]=3 18138 B12R2.612 Cc1ccc2c(c1)CCC2O Amb21964865 [0,1,0,1,0,0|0,0,0]=2 18139 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2O Amb25892517 [0,1,0,1,0,0|0,0,0]=2 18140 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N Amb26346414 [0,1,0,1,0,0|1,0,0]=3 18141 B12R2.612 Cc1ccc2c(c1)CC[C@H]2O Amb27668855 [0,1,0,1,0,0|0,0,0]=2 18142 B12R2.612 Cc1ccc2c(c1)CN[C@H]2C Amb27219153 [0,1,0,1,0,0|2,0,0]=4 18143 B12R2.612 Cc1ccc2c(c1)COB2O Amb25771094 [0,1,0,1,0,0|2,0,0]=4 18144 B12R2.612 Cc1ccc2c(c1)NCC2C Amb27760208 [0,1,0,1,0,0|2,0,0]=4 18145 B12R2.612 Cc1ccc2c(c1)OCC2N Amb27630034 [0,1,0,1,0,0|2,0,0]=4 18146 B12R2.612 Cc1ccc2c(c1)OC[C@@H]2N Amb25335510 [0,1,0,1,0,0|2,0,0]=4 18147 B12R2.612 Cc1ccc2c(n1)CCC2N Amb27851730 [0,1,0,1,0,0|2,0,0]=4 18148 B12R2.612 Cc1ccc2c(n1)CC[C@@H]2N Amb28143149 [0,1,0,1,0,0|2,0,0]=4 18149 B12R2.612 Cc1ccc2c(n1)OCC2O Amb27607216 [0,1,0,1,0,0|2,0,0]=4 18150 B12R2.612 ClC1CCc2cc(Br)ccc21 Amb22001687 [0,1,0,1,0,0|1,0,0]=3 18151 B12R2.612 ClC1CCc2nc(Br)ccc21 Amb27808514 [0,1,0,1,0,0|2,0,0]=4 18152 B12R2.612 Clc1ccc2c(c1)CCC2Br Amb25890551 [0,1,0,1,0,0|1,0,0]=3 18153 B12R2.612 Clc1ccc2c(c1)CCC2Cl Amb25351129 [0,1,0,1,0,0|1,0,0]=3 18154 B12R2.612 FC1CCc2cc(Br)ccc21 Amb27873591 [0,1,0,1,0,0|1,0,0]=3 18155 B12R2.612 Fc1ccc2c(c1)CCC2F Amb27229156 [0,1,0,1,0,0|1,0,0]=3 18156 B12R2.612 Fc1ccc2c(c1)CCC2S Amb27783747 [0,1,0,1,0,0|0,1,0]=3 18157 B12R2.612 NC1CCc2cc(Br)ccc21 Amb10609946 [0,1,0,1,0,0|1,0,0]=3 18158 B12R2.612 NC1CCc2cc(Br)ccc21 Amb9721669 [0,1,0,1,0,0|1,0,0]=3 18159 B12R2.612 NC1CCc2cc(Br)cnc21 Amb25923177 [0,1,0,1,0,0|2,0,0]=4 18160 B12R2.612 NC1CCc2cc(Br)cnc21 Amb32663742 [0,1,0,1,0,0|2,0,0]=4 18161 B12R2.612 NC1CCc2cc(Br)cnc21 Amb32683315 [0,1,0,1,0,0|2,0,0]=4 18162 B12R2.612 NC1CCc2cc(Cl)ccc21 Amb10609861 [0,1,0,1,0,0|1,0,0]=3 18163 B12R2.612 NC1CCc2cc(Cl)ccc21 Amb9720607 [0,1,0,1,0,0|1,0,0]=3 18164 B12R2.612 NC1CCc2cc(Cl)cnc21 Amb27405136 [0,1,0,1,0,0|2,0,0]=4 18165 B12R2.612 NC1CCc2cc(F)ccc21 Amb10609896 [0,1,0,1,0,0|1,0,0]=3 18166 B12R2.612 NC1CCc2cc(F)ccc21 Amb9720606 [0,1,0,1,0,0|1,0,0]=3 18167 B12R2.612 NC1CNc2cc(Cl)ccc21 Amb27634347 [0,1,0,1,0,0|2,0,0]=4 18168 B12R2.612 NC1CNc2cc(F)ccc21 Amb27193911 [0,1,0,1,0,0|2,0,0]=4 18169 B12R2.612 NC1COc2cc(Br)ccc21 Amb19516088 [0,1,0,1,0,0|2,0,0]=4 18170 B12R2.612 NC1COc2cc(Br)ccc21 Amb21962144 [0,1,0,1,0,0|2,0,0]=4 18171 B12R2.612 NC1COc2cc(Cl)ccc21 Amb27812386 [0,1,0,1,0,0|2,0,0]=4 18172 B12R2.612 NC1COc2cc(Cl)ccc21 Amb31291604 [0,1,0,1,0,0|2,0,0]=4 18173 B12R2.612 NC1COc2cc(F)ccc21 Amb26356952 [0,1,0,1,0,0|2,0,0]=4 18174 B12R2.612 NC1COc2cc(F)ccc21 Amb30584660 [0,1,0,1,0,0|2,0,0]=4 18175 B12R2.612 NC1COc2cc(O)ccc21 Amb1131908 [0,1,0,1,0,0|2,0,0]=4 18176 B12R2.612 NN1CCc2cc(Br)ccc21 Amb27642736 [0,1,0,1,0,0|2,0,0]=4 18177 B12R2.612 NN1CCc2cc(Cl)ccc21 Amb27762701 [0,1,0,1,0,0|2,0,0]=4 18178 B12R2.612 N[C@@H]1CCc2cc(Br)ccc21 Amb22745142 [0,1,0,1,0,0|1,0,0]=3 18179 B12R2.612 N[C@@H]1CCc2cc(Br)ccc21 Amb22745143 [0,1,0,1,0,0|1,0,0]=3 18180 B12R2.612 N[C@@H]1CCc2cc(Cl)ccc21 Amb13953032 [0,1,0,1,0,0|1,0,0]=3 18181 B12R2.612 N[C@@H]1CCc2cc(Cl)ccc21 Amb30634245 [0,1,0,1,0,0|1,0,0]=3 18182 B12R2.612 N[C@@H]1CCc2cc(F)ccc21 Amb22288667 [0,1,0,1,0,0|1,0,0]=3 18183 B12R2.612 N[C@@H]1COc2cc(Br)ccc21 Amb24462735 [0,1,0,1,0,0|2,0,0]=4 18184 B12R2.612 N[C@@H]1COc2cc(F)ccc21 Amb26888783 [0,1,0,1,0,0|2,0,0]=4 18185 B12R2.612 N[C@H]1CCc2cc(Br)ccc21 Amb27828530 [0,1,0,1,0,0|1,0,0]=3 18186 B12R2.612 N[C@H]1CCc2cc(Br)ccc21 Amb33801825 [0,1,0,1,0,0|1,0,0]=3 18187 B12R2.612 N[C@H]1CCc2cc(Cl)ccc21 Amb13953031 [0,1,0,1,0,0|1,0,0]=3 18188 B12R2.612 N[C@H]1CCc2cc(Cl)ccc21 Amb33813741 [0,1,0,1,0,0|1,0,0]=3 18189 B12R2.612 N[C@H]1CCc2cc(F)ccc21 Amb13953037 [0,1,0,1,0,0|1,0,0]=3 18190 B12R2.612 N[C@H]1CCc2cc(F)ccc21 Amb22270166 [0,1,0,1,0,0|1,0,0]=3 18191 B12R2.612 N[C@H]1CCc2cc(O)ccc21 Amb27780089 [0,1,0,1,0,0|1,0,0]=3 18192 B12R2.612 N[C@H]1CCc2cc(S)ccc21 Amb27251554 [0,1,0,1,0,0|1,0,0]=3 18193 B12R2.612 N[C@H]1COc2cc(Br)ccc21 Amb26020084 [0,1,0,1,0,0|2,0,0]=4 18194 B12R2.612 N[C@H]1COc2cc(Cl)ccc21 Amb28043128 [0,1,0,1,0,0|2,0,0]=4 18195 B12R2.612 N[C@H]1COc2cc(Cl)ccc21 Amb33872209 [0,1,0,1,0,0|2,0,0]=4 18196 B12R2.612 N[C@H]1COc2cc(F)ccc21 Amb26912168 [0,1,0,1,0,0|2,0,0]=4 18197 B12R2.612 N[C@H]1COc2cc(F)ccc21 Amb33872210 [0,1,0,1,0,0|2,0,0]=4 18198 B12R2.612 Nc1cc2c(cn1)C(N)CC2 Amb33715211 [0,1,0,1,0,0|2,0,0]=4 18199 B12R2.612 Nc1ccc2c(c1)CCC2=O Amb1348304 [0,1,0,1,0,0|0,0,2]=4 18200 B12R2.612 Nc1ccc2c(c1)CCC2N Amb13952222 [0,1,0,1,0,0|1,0,0]=3 18201 B12R2.612 Nc1ccc2c(c1)CCC2N Amb28652833 [0,1,0,1,0,0|1,0,0]=3 18202 B12R2.612 Nc1ccc2c(c1)CCC2S Amb32788307 [0,1,0,1,0,0|0,1,0]=3 18203 B12R2.612 Nc1ccc2c(c1)CC[C@@H]2N Amb28437314 [0,1,0,1,0,0|1,0,0]=3 18204 B12R2.612 Nc1ccc2c(c1)COB2O Amb26860830 [0,1,0,1,0,0|2,0,0]=4 18205 B12R2.612 Nc1ccc2c(n1)CC[C@@H]2N Amb33715206 [0,1,0,1,0,0|2,0,0]=4 18206 B12R2.612 O=C1CCc2cc(Br)ccc21 Amb2685276 [0,1,0,1,0,0|0,0,2]=4 18207 B12R2.612 O=C1CCc2cc(Cl)ccc21 Amb2686124 [0,1,0,1,0,0|0,0,2]=4 18208 B12R2.612 O=C1CCc2cc(F)ccc21 Amb2688113 [0,1,0,1,0,0|0,0,2]=4 18209 B12R2.612 O=C1CCc2cc(I)ccc21 Amb10602519 [0,1,0,1,0,0|0,0,2]=4 18210 B12R2.612 O=C1CCc2cc(O)ccc21 Amb2610677 [0,1,0,1,0,0|0,0,2]=4 18211 B12R2.612 O=C1CCc2cc(S)ccc21 Amb24458838 [0,1,0,1,0,0|0,0,2]=4 18212 B12R2.612 OB1OCc2cc(Cl)ccc21 Amb24271171 [0,1,0,1,0,0|2,0,0]=4 18213 B12R2.612 OB1OCc2cc(F)ccc21 Amb33544070 [0,1,0,1,0,0|2,0,0]=4 18214 B12R2.612 OB1OCc2cc(O)ccc21 Amb24665939 [0,1,0,1,0,0|2,0,0]=4 18215 B12R2.612 OC1CCc2cc(Br)ccc21 Amb7990025 [0,1,0,1,0,0|0,0,0]=2 18216 B12R2.612 OC1CCc2cc(Br)cnc21 Amb24451685 [0,1,0,1,0,0|1,0,0]=3 18217 B12R2.612 OC1CCc2cc(Cl)ccc21 Amb22001631 [0,1,0,1,0,0|0,0,0]=2 18218 B12R2.612 OC1CCc2cc(Cl)cnc21 Amb28203716 [0,1,0,1,0,0|1,0,0]=3 18219 B12R2.612 OC1CCc2cc(F)ccc21 Amb22756387 [0,1,0,1,0,0|0,0,0]=2 18220 B12R2.612 OC1COc2cc(Br)ccc21 Amb22751582 [0,1,0,1,0,0|1,0,0]=3 18221 B12R2.612 OC1COc2cc(Cl)ccc21 Amb33550780 [0,1,0,1,0,0|1,0,0]=3 18222 B12R2.612 OC1COc2cc(F)ccc21 Amb26371144 [0,1,0,1,0,0|1,0,0]=3 18223 B12R2.612 OC1OCc2cc(Cl)ccc21 Amb22751579 [0,1,0,1,0,0|1,0,0]=3 18224 B12R2.612 O[C@@H]1CCc2cc(Br)ccc21 Amb22886733 [0,1,0,1,0,0|0,0,0]=2 18225 B12R2.612 O[C@@H]1CCc2cc(Cl)ccc21 Amb13953029 [0,1,0,1,0,0|0,0,0]=2 18226 B12R2.612 O[C@@H]1CCc2cc(F)ccc21 Amb13953035 [0,1,0,1,0,0|0,0,0]=2 18227 B12R2.612 O[C@@H]1CCc2cc(I)ccc21 Amb25969174 [0,1,0,1,0,0|0,0,0]=2 18228 B12R2.612 O[C@H]1CCc2cc(Br)ccc21 Amb24420879 [0,1,0,1,0,0|0,0,0]=2 18229 B12R2.612 O[C@H]1CCc2cc(Cl)ccc21 Amb13953030 [0,1,0,1,0,0|0,0,0]=2 18230 B12R2.612 O[C@H]1CCc2cc(F)ccc21 Amb13953033 [0,1,0,1,0,0|0,0,0]=2 18231 B12R2.612 O[C@H]1CCc2cc(I)ccc21 Amb27649441 [0,1,0,1,0,0|0,0,0]=2 18232 B12R2.612 Oc1ccc2c(c1)CCC2S Amb32788820 [0,1,0,1,0,0|0,1,0]=3 18233 B12R2.612 Oc1ccc2c(c1)CC[C@@H]2O Amb28045712 [0,1,0,1,0,0|0,0,0]=2 18234 B12R2.612 Oc1ccc2c(c1)CC[C@H]2O Amb28292539 [0,1,0,1,0,0|0,0,0]=2 18235 B12R2.612 Oc1ccc2c(c1)OCC2O Amb9748288 [0,1,0,1,0,0|1,0,0]=3 18236 B12R2.612 Oc1ccc2c(c1)OCC2S Amb7784688 [0,1,0,1,0,0|1,1,0]=4 18237 B12R2.612 SC1CCc2cc(Br)ccc21 Amb25821808 [0,1,0,1,0,0|0,1,0]=3 18238 B12R2.612 SC1CCc2cc(Cl)ccc21 Amb24639650 [0,1,0,1,0,0|0,1,0]=3 18239 B12R2.1020 O=C1C=C2CCCCC(=C1)C2 Amb28202329 [0,1,0,1,0,0|1,0,1]=4 18240 B12R2.1286 Brc1cccc(CC2CO2)c1 Amb29880791 [0,1,0,1,0,0|0,0,0]=2 18241 B12R2.1286 Brc1cccc(CC2CO2)n1 Amb33433194 [0,1,0,1,0,0|1,0,0]=3 18242 B12R2.1286 Brc1cccc(NC2CC2)c1 Amb24622562 [0,1,0,1,0,0|2,0,0]=4 18243 B12R2.1286 Brc1cccc(OC2CC2)c1 Amb22057669 [0,1,0,1,0,0|2,0,0]=4 18244 B12R2.1286 Brc1cccc(SC2CC2)c1 Amb22831516 [0,1,0,1,0,0|2,0,0]=4 18245 B12R2.1286 Brc1cncc(CC2CO2)c1 Amb33389115 [0,1,0,1,0,0|1,0,0]=3 18246 B12R2.1286 Cc1cc(CC2CO2)ccn1 Amb32732932 [0,1,0,1,0,0|1,0,0]=3 18247 B12R2.1286 Cc1cccc(CC2CO2)c1 Amb27812633 [0,1,0,1,0,0|0,0,0]=2 18248 B12R2.1286 Cc1cccc(CC2CO2)n1 Amb33199921 [0,1,0,1,0,0|1,0,0]=3 18249 B12R2.1286 Cc1ccnc(CC2CO2)c1 Amb33318097 [0,1,0,1,0,0|1,0,0]=3 18250 B12R2.1286 Cc1cncc(CC2CO2)c1 Amb27666800 [0,1,0,1,0,0|1,0,0]=3 18251 B12R2.1286 Clc1cccc(CC2CO2)c1 Amb27839788 [0,1,0,1,0,0|0,0,0]=2 18252 B12R2.1286 Clc1cccc(CC2CO2)n1 Amb33222675 [0,1,0,1,0,0|1,0,0]=3 18253 B12R2.1286 Clc1cccc(NC2CC2)c1 Amb18930890 [0,1,0,1,0,0|2,0,0]=4 18254 B12R2.1286 Clc1cccc(OC2CC2)c1 Amb27861916 [0,1,0,1,0,0|2,0,0]=4 18255 B12R2.1286 Fc1cccc(CC2CO2)c1 Amb24558530 [0,1,0,1,0,0|0,0,0]=2 18256 B12R2.1286 Fc1cccc(NC2CC2)c1 Amb18270328 [0,1,0,1,0,0|2,0,0]=4 18257 B12R2.1286 Fc1cccc(OC2CC2)c1 Amb25798491 [0,1,0,1,0,0|2,0,0]=4 18258 B12R2.1286 Fc1ccnc(CC2CO2)c1 Amb33320272 [0,1,0,1,0,0|1,0,0]=3 18259 B12R2.1286 Fc1cncc(CC2CO2)c1 Amb25211203 [0,1,0,1,0,0|1,0,0]=3 18260 B12R2.1286 Ic1cccc(OC2CC2)c1 Amb26006862 [0,1,0,1,0,0|2,0,0]=4 18261 B12R2.1286 Nc1cccc(NC2CC2)c1 Amb33533212 [0,1,0,1,0,0|2,0,0]=4 18262 B12R2.1286 Nc1cccc(OC2CC2)c1 Amb22011837 [0,1,0,1,0,0|2,0,0]=4 18263 B12R2.1286 Nc1cccc(OC2CC2)c1 Amb33738815 [0,1,0,1,0,0|2,0,0]=4 18264 B12R2.1286 Nc1cccc(SC2CC2)c1 Amb27270830 [0,1,0,1,0,0|2,0,0]=4 18265 B12R2.1286 Oc1cccc(NC2CC2)c1 Amb24464849 [0,1,0,1,0,0|2,0,0]=4 18266 B12R2.1286 Oc1cccc(OC2CC2)c1 Amb24085348 [0,1,0,1,0,0|2,0,0]=4 18267 B12R2.1783 CNC1Cc2cccc(F)c21 Amb32721659 [0,1,0,1,0,0|2,0,0]=4 18268 B12R2.1783 N#CC1Cc2cccc(Br)c21 Amb33456123 [0,1,0,1,0,0|1,0,1]=4 18269 B12R2.1783 N#CC1Cc2cccc(F)c21 Amb25681332 [0,1,0,1,0,0|1,0,1]=4 18270 B12R2.1783 N#CC1Cc2cccc(O)c21 Amb28062034 [0,1,0,1,0,0|1,0,1]=4 18271 B12R2.2038 N#CC1Cc2cc(F)ccc21 Amb32679455 [0,1,0,1,0,0|1,0,1]=4 18272 B12R2.2038 N#CC1Cc2cc(N)ccc21 Amb27494062 [0,1,0,1,0,0|1,0,1]=4 18273 B12R2.2038 N#CC1Cc2cc(O)ccc21 Amb27256355 [0,1,0,1,0,0|1,0,1]=4 18274 B12R2.2038 NCC1Cc2cc(O)ccc21 Amb27468578 [0,1,0,1,0,0|1,0,0]=3 18275 B12R2.2313 Brc1cc(C2CCC2)ccn1 Amb10599981 [0,1,0,1,0,0|2,0,0]=4 18276 B12R2.2313 Brc1cc(C2CCN2)ccn1 Amb27167515 [0,1,0,1,0,0|2,0,0]=4 18277 B12R2.2313 Brc1cccc(C2CCC2)c1 Amb20617094 [0,1,0,1,0,0|1,0,0]=3 18278 B12R2.2313 Brc1cccc(C2CCC2)n1 Amb10599978 [0,1,0,1,0,0|2,0,0]=4 18279 B12R2.2313 Brc1cccc(C2CCN2)c1 Amb26655898 [0,1,0,1,0,0|1,0,0]=3 18280 B12R2.2313 Brc1cccc(C2CCN2)c1 Amb32718720 [0,1,0,1,0,0|1,0,0]=3 18281 B12R2.2313 Brc1cccc(C2CCN2)n1 Amb26631642 [0,1,0,1,0,0|2,0,0]=4 18282 B12R2.2313 Brc1cccc(C2CCO2)c1 Amb32641928 [0,1,0,1,0,0|0,0,0]=2 18283 B12R2.2313 Brc1cccc(C2CNC2)c1 Amb18066357 [0,1,0,1,0,0|2,0,0]=4 18284 B12R2.2313 Brc1cccc(C2CNC2)c1 Amb30588622 [0,1,0,1,0,0|2,0,0]=4 18285 B12R2.2313 Brc1cccc(C2COC2)c1 Amb22737351 [0,1,0,1,0,0|2,0,0]=4 18286 B12R2.2313 Brc1cccc(N2CCC2)c1 Amb28068951 [0,1,0,1,0,0|2,0,0]=4 18287 B12R2.2313 Brc1ccnc(C2CCC2)c1 Amb10599776 [0,1,0,1,0,0|2,0,0]=4 18288 B12R2.2313 Brc1ccnc(C2CCN2)c1 Amb27400545 [0,1,0,1,0,0|2,0,0]=4 18289 B12R2.2313 Brc1ccnc([C@H]2CCN2)c1 Amb27592806 [0,1,0,1,0,0|2,0,0]=4 18290 B12R2.2313 Brc1cncc(C2CCC2)c1 Amb20617714 [0,1,0,1,0,0|2,0,0]=4 18291 B12R2.2313 Brc1cncc(C2CCN2)c1 Amb26918266 [0,1,0,1,0,0|2,0,0]=4 18292 B12R2.2313 Brc1cncc(C2CCO2)c1 Amb28286965 [0,1,0,1,0,0|1,0,0]=3 18293 B12R2.2313 Cc1cc(C2CCN2)ccn1 Amb25041966 [0,1,0,1,0,0|2,0,0]=4 18294 B12R2.2313 Cc1cccc(C2CCN2)c1 Amb26857229 [0,1,0,1,0,0|1,0,0]=3 18295 B12R2.2313 Cc1cccc(C2CCN2)n1 Amb28250845 [0,1,0,1,0,0|2,0,0]=4 18296 B12R2.2313 Cc1cccc(C2CNC2)c1 Amb18065251 [0,1,0,1,0,0|2,0,0]=4 18297 B12R2.2313 Cc1cccc(C2COC2)c1 Amb28205440 [0,1,0,1,0,0|2,0,0]=4 18298 B12R2.2313 Cc1cccc([C@H]2CCN2)c1 Amb27391622 [0,1,0,1,0,0|1,0,0]=3 18299 B12R2.2313 Cc1ccnc(C2CCN2)c1 Amb26509203 [0,1,0,1,0,0|2,0,0]=4 18300 B12R2.2313 Cc1cncc(C2CCN2)c1 Amb27258757 [0,1,0,1,0,0|2,0,0]=4 18301 B12R2.2313 Clc1cc([C@@H]2CCN2)ccn1 Amb27473256 [0,1,0,1,0,0|2,0,0]=4 18302 B12R2.2313 Clc1cccc(C2CCC2)c1 Amb35718450 [0,1,0,1,0,0|1,0,0]=3 18303 B12R2.2313 Clc1cccc(C2CCN2)c1 Amb27431952 [0,1,0,1,0,0|1,0,0]=3 18304 B12R2.2313 Clc1cccc(C2CCN2)n1 Amb24484519 [0,1,0,1,0,0|2,0,0]=4 18305 B12R2.2313 Clc1cccc(C2CNC2)c1 Amb18563826 [0,1,0,1,0,0|2,0,0]=4 18306 B12R2.2313 Clc1cccc(C2CNC2)c1 Amb32662938 [0,1,0,1,0,0|2,0,0]=4 18307 B12R2.2313 Clc1cccc(C2COC2)c1 Amb24739899 [0,1,0,1,0,0|2,0,0]=4 18308 B12R2.2313 Clc1cccc([C@H]2CCN2)c1 Amb27655566 [0,1,0,1,0,0|1,0,0]=3 18309 B12R2.2313 Clc1ccnc(C2CCN2)c1 Amb27251979 [0,1,0,1,0,0|2,0,0]=4 18310 B12R2.2313 Clc1cncc(C2CCN2)c1 Amb28457269 [0,1,0,1,0,0|2,0,0]=4 18311 B12R2.2313 Fc1cccc(C2CCC2)n1 Amb24319187 [0,1,0,1,0,0|2,0,0]=4 18312 B12R2.2313 Fc1cccc(C2CCN2)c1 Amb19375411 [0,1,0,1,0,0|1,0,0]=3 18313 B12R2.2313 Fc1cccc(C2CCN2)c1 Amb25273667 [0,1,0,1,0,0|1,0,0]=3 18314 B12R2.2313 Fc1cccc(C2CNC2)c1 Amb20669554 [0,1,0,1,0,0|2,0,0]=4 18315 B12R2.2313 Fc1cccc(C2CNC2)c1 Amb22055311 [0,1,0,1,0,0|2,0,0]=4 18316 B12R2.2313 Fc1cccc([C@H]2CCN2)c1 Amb27815082 [0,1,0,1,0,0|1,0,0]=3 18317 B12R2.2313 Fc1ccnc(C2CCC2)c1 Amb24319239 [0,1,0,1,0,0|2,0,0]=4 18318 B12R2.2313 Fc1ccnc(C2CCN2)c1 Amb33414565 [0,1,0,1,0,0|2,0,0]=4 18319 B12R2.2313 Fc1cncc(C2CCN2)c1 Amb26413877 [0,1,0,1,0,0|2,0,0]=4 18320 B12R2.2313 Ic1cccc(C2CCC2)c1 Amb35718451 [0,1,0,1,0,0|1,0,0]=3 18321 B12R2.2313 Nc1cc(C2CCC2)ccn1 Amb10599982 [0,1,0,1,0,0|2,0,0]=4 18322 B12R2.2313 Nc1cccc(C2CCC2)c1 Amb20617095 [0,1,0,1,0,0|1,0,0]=3 18323 B12R2.2313 Nc1cccc(C2CCC2)n1 Amb10599979 [0,1,0,1,0,0|2,0,0]=4 18324 B12R2.2313 Nc1cccc(C2CCN2)c1 Amb25980808 [0,1,0,1,0,0|1,0,0]=3 18325 B12R2.2313 Nc1cccc(C2CNC2)c1 Amb25292216 [0,1,0,1,0,0|2,0,0]=4 18326 B12R2.2313 Nc1cccc(C2COC2)c1 Amb27481244 [0,1,0,1,0,0|2,0,0]=4 18327 B12R2.2313 Nc1cccc(N2CCC2)c1 Amb27402439 [0,1,0,1,0,0|2,0,0]=4 18328 B12R2.2313 Nc1ccnc(C2CCC2)c1 Amb10599777 [0,1,0,1,0,0|2,0,0]=4 18329 B12R2.2313 Nc1cncc(C2CCC2)c1 Amb20617715 [0,1,0,1,0,0|2,0,0]=4 18330 B12R2.2313 Oc1cc(C2CCC2)ccn1 Amb10599983 [0,1,0,1,0,0|2,0,0]=4 18331 B12R2.2313 Oc1cccc(C2CCC2)c1 Amb20617090 [0,1,0,1,0,0|1,0,0]=3 18332 B12R2.2313 Oc1cccc(C2CCC2)n1 Amb10599980 [0,1,0,1,0,0|2,0,0]=4 18333 B12R2.2313 Oc1cccc(C2CCN2)c1 Amb24085164 [0,1,0,1,0,0|1,0,0]=3 18334 B12R2.2313 Oc1cccc(C2CCN2)n1 Amb27404524 [0,1,0,1,0,0|2,0,0]=4 18335 B12R2.2313 Oc1cccc(C2CCO2)c1 Amb32641927 [0,1,0,1,0,0|0,0,0]=2 18336 B12R2.2313 Oc1cccc(C2CNC2)c1 Amb26647787 [0,1,0,1,0,0|2,0,0]=4 18337 B12R2.2313 Oc1cccc(C2COC2)c1 Amb27946997 [0,1,0,1,0,0|2,0,0]=4 18338 B12R2.2313 Oc1cccc([C@H]2CCN2)c1 Amb27593889 [0,1,0,1,0,0|1,0,0]=3 18339 B12R2.2313 Oc1cccc([C@H]2CCN2)n1 Amb27607167 [0,1,0,1,0,0|2,0,0]=4 18340 B12R2.2313 Oc1ccnc(C2CCC2)c1 Amb10599778 [0,1,0,1,0,0|2,0,0]=4 18341 B12R2.2313 Oc1cncc(C2CCC2)c1 Amb20617716 [0,1,0,1,0,0|2,0,0]=4 18342 B12R2.2313 Sc1cccc([C@H]2CCN2)c1 Amb27453457 [0,1,0,1,0,0|1,0,0]=3 18343 B12R2.1 BrCC1CCc2ccccc21 Amb22500999 [0,1,0,1,0,0|1,0,0]=3 18344 B12R2.1 BrCC1COc2ccccc21 Amb25063018 [0,1,0,1,0,0|1,0,0]=3 18345 B12R2.1 C#CC1CCc2ccccc21 Amb28203681 [0,1,0,1,0,0|1,0,0]=3 18346 B12R2.1 C#CC1CCc2cccnc21 Amb27823603 [0,1,0,1,0,0|2,0,0]=4 18347 B12R2.1 C#CC1CSc2ccccc21 Amb27823678 [0,1,0,1,0,0|1,0,1]=4 18348 B12R2.1 C=CC1CCc2ccccc21 Amb33145111 [0,1,0,1,0,0|1,0,0]=3 18349 B12R2.1 C=CC1OCc2ccccc21 Amb8392579 [0,1,0,1,0,0|1,0,1]=4 18350 B12R2.1 C=CN1CCc2ccccc21 Amb28323569 [0,1,0,1,0,0|1,0,1]=4 18351 B12R2.1 CCC1=CCc2ccccc21 Amb27227340 [0,1,0,1,0,0|1,0,1]=4 18352 B12R2.1 CCC1CNc2ccccc21 Amb32661135 [0,1,0,1,0,0|1,0,0]=3 18353 B12R2.1 CCC1CNc2ccccc21 Amb9776196 [0,1,0,1,0,0|1,0,0]=3 18354 B12R2.1 CCC1NCc2ccccc21 Amb24377125 [0,1,0,1,0,0|1,0,0]=3 18355 B12R2.1 CCC1NCc2ccccc21 Amb30584702 [0,1,0,1,0,0|1,0,0]=3 18356 B12R2.1 CNC1CCc2ccccc21 Amb9705483 [0,1,0,1,0,0|1,0,0]=3 18357 B12R2.1 CNC1CCc2ncccc21 Amb27453553 [0,1,0,1,0,0|2,0,0]=4 18358 B12R2.1 CNC1CNc2ccccc21 Amb28125195 [0,1,0,1,0,0|2,0,0]=4 18359 B12R2.1 CNC1CSc2ccccc21 Amb9401070 [0,1,0,1,0,0|2,0,0]=4 18360 B12R2.1 COC1=CCc2ccccc21 Amb17778910 [0,1,0,1,0,0|0,0,2]=4 18361 B12R2.1 COC1CCc2ccccc21 Amb25880282 [0,1,0,1,0,0|0,0,0]=2 18362 B12R2.1 COC1CNc2ccccc21 Amb27863100 [0,1,0,1,0,0|1,0,0]=3 18363 B12R2.1 COC1OCc2ccccc21 Amb24323529 [0,1,0,1,0,0|1,0,0]=3 18364 B12R2.1 CSC1CNc2ccccc21 Amb28423543 [0,1,0,1,0,0|1,1,0]=4 18365 B12R2.1 ClCC1CCc2ccccc21 Amb22500998 [0,1,0,1,0,0|1,0,0]=3 18366 B12R2.1 ClCC1CSc2ccccc21 Amb27853344 [0,1,0,1,0,0|1,0,0]=3 18367 B12R2.1 FCC1NCc2ccccc21 Amb27211089 [0,1,0,1,0,0|1,0,0]=3 18368 B12R2.1 N#CC1CCc2ccccc21 Amb33528298 [0,1,0,1,0,0|1,0,0]=3 18369 B12R2.1 N#CC1CCc2cccnc21 Amb26880266 [0,1,0,1,0,0|2,0,0]=4 18370 B12R2.1 N#CC1CCc2ncccc21 Amb27437044 [0,1,0,1,0,0|2,0,0]=4 18371 B12R2.1 N#CC1CNc2ccccc21 Amb18063484 [0,1,0,1,0,0|1,0,1]=4 18372 B12R2.1 N#CC1COc2ccccc21 Amb23586274 [0,1,0,1,0,0|1,0,1]=4 18373 B12R2.1 N#CC1CSc2ccccc21 Amb18126297 [0,1,0,1,0,0|1,0,1]=4 18374 B12R2.1 N#CN1CCc2ccccc21 Amb24484539 [0,1,0,1,0,0|1,0,1]=4 18375 B12R2.1 NCC1=CCc2ccccc21 Amb18560208 [0,1,0,1,0,0|1,0,1]=4 18376 B12R2.1 NCC1C=Cc2ccccc21 Amb17470375 [0,1,0,1,0,0|1,0,1]=4 18377 B12R2.1 NCC1CCc2ccccc21 Amb22500956 [0,1,0,1,0,0|1,0,0]=3 18378 B12R2.1 NCC1CCc2ccccc21 Amb8950115 [0,1,0,1,0,0|1,0,0]=3 18379 B12R2.1 NCC1CCc2cccnc21 Amb24561429 [0,1,0,1,0,0|2,0,0]=4 18380 B12R2.1 NCC1CCc2cccnc21 Amb28872310 [0,1,0,1,0,0|2,0,0]=4 18381 B12R2.1 NCC1CCc2ccncc21 Amb27463542 [0,1,0,1,0,0|2,0,0]=4 18382 B12R2.1 NCC1CCc2ncccc21 Amb27642010 [0,1,0,1,0,0|2,0,0]=4 18383 B12R2.1 NCC1CNc2ccccc21 Amb18063038 [0,1,0,1,0,0|1,0,0]=3 18384 B12R2.1 NCC1CNc2ccccc21 Amb30588549 [0,1,0,1,0,0|1,0,0]=3 18385 B12R2.1 NCC1COc2ccccc21 Amb33545318 [0,1,0,1,0,0|1,0,0]=3 18386 B12R2.1 NCC1COc2ccccc21 Amb33549495 [0,1,0,1,0,0|1,0,0]=3 18387 B12R2.1 NCC1COc2cnccc21 Amb22756834 [0,1,0,1,0,0|2,0,0]=4 18388 B12R2.1 NCC1CSc2ccccc21 Amb26624065 [0,1,0,1,0,0|1,0,0]=3 18389 B12R2.1 NCC1OCc2ccccc21 Amb28067348 [0,1,0,1,0,0|1,0,0]=3 18390 B12R2.1 NCC1OCc2ccccc21 Amb28872331 [0,1,0,1,0,0|1,0,0]=3 18391 B12R2.1 NC[C@H]1COc2ccccc21 Amb28289255 [0,1,0,1,0,0|1,0,0]=3 18392 B12R2.1 NNC1CCc2ccccc21 Amb6250083 [0,1,0,1,0,0|1,0,0]=3 18393 B12R2.1 NNC1CCc2ncccc21 Amb24453229 [0,1,0,1,0,0|2,0,0]=4 18394 B12R2.1 N\N=C1/CCc2ccccc21 Amb33734274 [0,1,0,1,0,0|1,0,1]=4 18395 B12R2.1 N\N=C1\CCc2ccccc21 Amb2384463 [0,1,0,1,0,0|1,0,1]=4 18396 B12R2.1 O=CC1CCc2ccccc21 Amb18644272 [0,1,0,1,0,0|0,0,1]=3 18397 B12R2.1 O=CC1CCc2ncccc21 Amb27620030 [0,1,0,1,0,0|1,0,1]=4 18398 B12R2.1 O=CC1CSc2ccccc21 Amb27456947 [0,1,0,1,0,0|0,0,2]=4 18399 B12R2.1 O=CC1OCc2ccccc21 Amb27225913 [0,1,0,1,0,0|0,0,2]=4 18400 B12R2.1 O=C[C@@H]1CCc2ccccc21 Amb28319720 [0,1,0,1,0,0|0,0,1]=3 18401 B12R2.1 O=C[C@H]1CCc2ccccc21 Amb27164668 [0,1,0,1,0,0|0,0,1]=3 18402 B12R2.1 O=NN1CCc2ccccc21 Amb17689298 [0,1,0,1,0,0|1,0,1]=4 18403 B12R2.1 OCC1CCc2ccccc21 Amb19329220 [0,1,0,1,0,0|0,0,0]=2 18404 B12R2.1 OCC1CCc2cccnc21 Amb26853721 [0,1,0,1,0,0|1,0,0]=3 18405 B12R2.1 OCC1CNc2ccccc21 Amb18063448 [0,1,0,1,0,0|0,0,0]=2 18406 B12R2.1 OCC1CNc2ccccc21 Amb28652884 [0,1,0,1,0,0|0,0,0]=2 18407 B12R2.1 OCC1COc2ccccc21 Amb22224879 [0,1,0,1,0,0|0,0,0]=2 18408 B12R2.1 OCC1COc2cnccc21 Amb26498941 [0,1,0,1,0,0|1,0,0]=3 18409 B12R2.1 OCC1CSc2ccccc21 Amb24615579 [0,1,0,1,0,0|0,0,0]=2 18410 B12R2.1 OCC1NCc2ccccc21 Amb25736151 [0,1,0,1,0,0|0,0,0]=2 18411 B12R2.1 OCc1coc2ccccc12 Amb10572402 [0,1,0,1,0,0|0,0,2]=4 18412 B12R2.1 OCc1csc2ccccc12 Amb2723182 [0,1,0,1,0,0|0,0,2]=4 18413 B12R2.1 OCc1noc2ccccc12 Amb22498744 [0,1,0,1,0,0|1,0,1]=4 18414 B12R2.1 OCc1occ2ccccc12 Amb28345290 [0,1,0,1,0,0|0,0,2]=4 18415 B12R2.1 OCc1onc2ccccc12 Amb35781902 [0,1,0,1,0,0|1,0,1]=4 18416 B12R2.1 OCc1snc2ccccc12 Amb27839871 [0,1,0,1,0,0|1,0,1]=4 18417 B12R2.1 OCn1cnc2ccccc21 Amb1151978 [0,1,0,1,0,0|1,0,1]=4 18418 B12R2.1 OCn1ncc2ccccc21 Amb23441644 [0,1,0,1,0,0|1,0,1]=4 18419 B12R2.1 OCn1nnc2ccccc21 Amb1350546 [0,1,0,1,0,0|2,0,0]=4 18420 B12R2.1 ONC1CSc2ccccc21 Amb27223274 [0,1,0,1,0,0|1,0,0]=3 18421 B12R2.1 O\N=C1/CCc2ccccc21 Amb4016236 [0,1,0,1,0,0|0,0,1]=3 18422 B12R2.1 O\N=C1/COc2ccccc21 Amb19650724 [0,1,0,1,0,0|1,0,1]=4 18423 B12R2.1 O\N=C1/NCc2ccccc21 Amb24746464 [0,1,0,1,0,0|1,0,1]=4 18424 B12R2.1 O\N=C1\COc2ccccc21 Amb27840218 [0,1,0,1,0,0|1,0,1]=4 18425 B12R2.1 SCC1CCc2ccccc21 Amb33144588 [0,1,0,1,0,0|0,1,0]=3 18426 B12R2.1 SCC1COc2ccccc21 Amb27397263 [0,1,0,1,0,0|0,1,0]=3 18427 B12R2.1 [C-]#[N+]C1CCc2ccccc21 Amb2688965 [0,1,0,1,0,0|1,0,0]=3 18428 B12R2.1 [C-]#[N+][C@@H]1CCc2ccccc21 Amb2688966 [0,1,0,1,0,0|1,0,0]=3 18429 B12R2.11 BrC1CC1Cc2ccccc2 Amb27176533 [0,1,0,1,0,0|1,0,0]=3 18430 B12R2.11 Br[C@H]1C[C@@H]1Cc2ccccc2 Amb28287700 [0,1,0,1,0,0|1,0,0]=3 18431 B12R2.11 CC1CC1Nc2ccccc2 Amb24743217 [0,1,0,1,0,0|1,0,0]=3 18432 B12R2.11 C[C@@H]1C[C@@H]1Nc2ccccc2 Amb28059383 [0,1,0,1,0,0|1,0,0]=3 18433 B12R2.11 C[C@@H]1C[C@H]1Nc2ccncc2 Amb27420857 [0,1,0,1,0,0|2,0,0]=4 18434 B12R2.11 Cl[C@@H]1C[C@@H]1Cc2ccccc2 Amb27640652 [0,1,0,1,0,0|1,0,0]=3 18435 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [0,1,0,1,0,0|1,0,0]=3 18436 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [0,1,0,1,0,0|1,0,0]=3 18437 B12R2.11 NC1CC1Nc2ccccn2 Amb9462376 [0,1,0,1,0,0|2,0,0]=4 18438 B12R2.11 N[C@@H]1C[C@H]1Cc2ccccc2 Amb32953150 [0,1,0,1,0,0|1,0,0]=3 18439 B12R2.11 N[C@@H]1C[C@H]1Oc2ccccc2 Amb33347106 [0,1,0,1,0,0|1,0,0]=3 18440 B12R2.11 N[C@@H]1C[C@H]1Oc2cccnc2 Amb33347059 [0,1,0,1,0,0|2,0,0]=4 18441 B12R2.11 N[C@H]1C[C@@H]1Oc2ccccc2 Amb27494042 [0,1,0,1,0,0|1,0,0]=3 18442 B12R2.11 OC1O\C1=C/c2ccccc2 Amb27589709 [0,1,0,1,0,0|0,0,2]=4 18443 B12R2.23 CC1CCN1c2ccccc2 Amb28312828 [0,1,0,1,0,0|1,0,0]=3 18444 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [0,1,0,1,0,0|1,0,0]=3 18445 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [0,1,0,1,0,0|1,0,0]=3 18446 B12R2.23 CN1CCC1c2cccnc2 Amb27792386 [0,1,0,1,0,0|2,0,0]=4 18447 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [0,1,0,1,0,0|1,0,0]=3 18448 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [0,1,0,1,0,0|1,0,0]=3 18449 B12R2.23 NC1CCC1c2ccccn2 Amb27430527 [0,1,0,1,0,0|2,0,0]=4 18450 B12R2.23 NC1CCC1c2ccncc2 Amb28055952 [0,1,0,1,0,0|2,0,0]=4 18451 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb28594309 [0,1,0,1,0,0|1,0,0]=3 18452 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb32665507 [0,1,0,1,0,0|1,0,0]=3 18453 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [0,1,0,1,0,0|1,0,0]=3 18454 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb33447016 [0,1,0,1,0,0|1,0,0]=3 18455 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 Amb32685232 [0,1,0,1,0,0|0,0,0]=2 18456 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 Amb32685233 [0,1,0,1,0,0|0,0,0]=2 18457 B12R2.23 N[C@H]1CC[C@H]1c2ccccc2 Amb27789894 [0,1,0,1,0,0|1,0,0]=3 18458 B12R2.23 N[C@H]1CS[C@@H]1c2ccccc2 Amb28245857 [0,1,0,1,0,0|0,1,0]=3 18459 B12R2.23 O=C1CCC1c2ccccc2 Amb19515483 [0,1,0,1,0,0|0,0,1]=3 18460 B12R2.23 O=C1CCC1c2ccccn2 Amb28050845 [0,1,0,1,0,0|1,0,1]=4 18461 B12R2.23 O=C1CCC1c2ccncc2 Amb27470068 [0,1,0,1,0,0|1,0,1]=4 18462 B12R2.23 O=C1CCN1c2ccccc2 Amb16191926 [0,1,0,1,0,0|0,0,2]=4 18463 B12R2.23 O=C1CC[C@H]1c2ccccc2 Amb28253765 [0,1,0,1,0,0|0,0,1]=3 18464 B12R2.23 O=C1COC1c2ccccc2 Amb23456091 [0,1,0,1,0,0|0,0,1]=3 18465 B12R2.23 O=C1NCC1c2ccccc2 Amb614326 [0,1,0,1,0,0|0,0,2]=4 18466 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [0,1,0,1,0,0|0,0,0]=2 18467 B12R2.23 OC1CCC1c2cccnc2 Amb25997850 [0,1,0,1,0,0|1,0,0]=3 18468 B12R2.23 OC1CCC1c2cnccn2 Amb32944849 [0,1,0,1,0,0|2,0,0]=4 18469 B12R2.23 OC1CCC1c2cncnc2 Amb32951048 [0,1,0,1,0,0|2,0,0]=4 18470 B12R2.23 OC1CNC1c2ccccc2 Amb25680030 [0,1,0,1,0,0|0,0,0]=2 18471 B12R2.23 OC1CNC1c2cccnc2 Amb25145873 [0,1,0,1,0,0|1,0,0]=3 18472 B12R2.23 OC1COC1c2ccccc2 Amb26336587 [0,1,0,1,0,0|0,0,0]=2 18473 B12R2.23 OC1CSC1c2ccccc2 Amb27396136 [0,1,0,1,0,0|0,0,0]=2 18474 B12R2.23 O[C@@H]1CO[C@@H]1c2ccccc2 Amb32679855 [0,1,0,1,0,0|0,0,0]=2 18475 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 Amb32679869 [0,1,0,1,0,0|0,0,0]=2 18476 B12R2.23 O[C@H]1CC[C@H]1c2ccccc2 Amb27816201 [0,1,0,1,0,0|0,0,0]=2 18477 B12R2.23 O[C@H]1CO[C@H]1c2ccccc2 Amb28345399 [0,1,0,1,0,0|0,0,0]=2 18478 B12R2.23 S=C1CCN1c2ccccc2 Amb24709242 [0,1,0,1,0,0|0,1,1]=4 18479 B12R2.2057 C(#CC1CO1)c2ccccc2 Amb25309852 [0,1,0,1,0,0|0,0,1]=3 18480 B12R2.2057 C(=C\C1CO1)/c2ccccc2 Amb32954418 [0,1,0,1,0,0|0,0,1]=3 18481 B12R2.2057 C(=C\C1CO1)/c2ccncc2 Amb27818057 [0,1,0,1,0,0|1,0,1]=4 18482 B12R2.2057 C(=C\[C@@H]1CO1)/c2ccccc2 Amb33081122 [0,1,0,1,0,0|0,0,1]=3 18483 B12R2.2057 C(=C\[C@H]1CO1)/c2ccccc2 Amb33081121 [0,1,0,1,0,0|0,0,1]=3 18484 B12R2.2057 c1cc(CNC2CC2)ccn1 Amb22587107 [0,1,0,1,0,0|2,0,0]=4 18485 B12R2.2057 c1cc(CNC2CC2)ccn1 Amb6356063 [0,1,0,1,0,0|2,0,0]=4 18486 B12R2.2057 c1cc(NCC2CC2)ccn1 Amb2383010 [0,1,0,1,0,0|2,0,0]=4 18487 B12R2.2057 c1cc(SCC2CC2)ccn1 Amb27979300 [0,1,0,1,0,0|2,0,0]=4 18488 B12R2.2057 c1cc(SC[C@@H]2CO2)ccn1 Amb27425165 [0,1,0,1,0,0|1,0,0]=3 18489 B12R2.2057 c1cc(SC[C@H]2CO2)ccn1 Amb27589852 [0,1,0,1,0,0|1,0,0]=3 18490 B12R2.2057 c1ccc(CCC2CO2)cc1 Amb33540498 [0,1,0,1,0,0|0,0,0]=2 18491 B12R2.2057 c1ccc(CC[C@@H]2CO2)cc1 Amb32951908 [0,1,0,1,0,0|0,0,0]=2 18492 B12R2.2057 c1ccc(CC[C@H]2CO2)cc1 Amb33082099 [0,1,0,1,0,0|0,0,0]=2 18493 B12R2.2057 c1ccc(CNC2CC2)cc1 Amb19515725 [0,1,0,1,0,0|1,0,0]=3 18494 B12R2.2057 c1ccc(CNC2CC2)cc1 Amb6662862 [0,1,0,1,0,0|1,0,0]=3 18495 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb6356061 [0,1,0,1,0,0|2,0,0]=4 18496 B12R2.2057 c1ccc(CNC2CC2)nc1 Amb8469754 [0,1,0,1,0,0|2,0,0]=4 18497 B12R2.2057 c1ccc(COC2CC2)cc1 Amb27481431 [0,1,0,1,0,0|1,0,0]=3 18498 B12R2.2057 c1ccc(COC2CO2)cc1 Amb26064453 [0,1,0,1,0,0|0,0,0]=2 18499 B12R2.2057 c1ccc(NCC2CC2)cc1 Amb2383311 [0,1,0,1,0,0|1,0,0]=3 18500 B12R2.2057 c1ccc(NCC2CO2)cc1 Amb27413107 [0,1,0,1,0,0|0,0,0]=2 18501 B12R2.2057 c1ccc(NCC2CO2)nc1 Amb28343184 [0,1,0,1,0,0|1,0,0]=3 18502 B12R2.2057 c1ccc(OCC2CC2)cc1 Amb22752457 [0,1,0,1,0,0|1,0,0]=3 18503 B12R2.2057 c1ccc(OCC2CC2)nc1 Amb24725808 [0,1,0,1,0,0|2,0,0]=4 18504 B12R2.2057 c1ccc(OCC2CO2)cc1 Amb9722480 [0,1,0,1,0,0|0,0,0]=2 18505 B12R2.2057 c1ccc(OC[C@@H]2CO2)cc1 Amb8389341 [0,1,0,1,0,0|0,0,0]=2 18506 B12R2.2057 c1ccc(SCC2CC2)cc1 Amb27485492 [0,1,0,1,0,0|1,0,0]=3 18507 B12R2.2057 c1ccc(SCC2CO2)cc1 Amb33534075 [0,1,0,1,0,0|0,0,0]=2 18508 B12R2.2057 c1ccc(SC[C@@H]2CO2)nc1 Amb27208275 [0,1,0,1,0,0|1,0,0]=3 18509 B12R2.2057 c1ccc(SC[C@H]2CO2)cc1 Amb27775617 [0,1,0,1,0,0|0,0,0]=2 18510 B12R2.2057 c1ccc(SC[C@H]2CO2)nc1 Amb28453705 [0,1,0,1,0,0|1,0,0]=3 18511 B12R2.2057 c1cnc(SC[C@H]2CO2)nc1 Amb27768550 [0,1,0,1,0,0|2,0,0]=4 18512 B12R2.2057 c1cncc(CNC2CC2)c1 Amb22587112 [0,1,0,1,0,0|2,0,0]=4 18513 B12R2.2057 c1cncc(CNC2CC2)c1 Amb6356062 [0,1,0,1,0,0|2,0,0]=4 18514 B12R2.2057 c1cncc(CNC2CC2)c1 Amb6797221 [0,1,0,1,0,0|2,0,0]=4 18515 B12R2.2057 c1cncc(NCC2CC2)c1 Amb2382997 [0,1,0,1,0,0|2,0,0]=4 18516 B12R2.2057 c1cncc(NCC2CO2)c1 Amb27483153 [0,1,0,1,0,0|1,0,0]=3 18517 B12R2.2057 c1cncc(OCC2CO2)c1 Amb27233095 [0,1,0,1,0,0|1,0,0]=3 18518 B12R2.2058 B1CC(Cc2ccccc2)C1 Amb25243383 [0,1,0,1,0,0|1,0,0]=3 18519 B12R2.2058 c1cc(CC2CNC2)ccn1 Amb23598871 [0,1,0,1,0,0|2,0,0]=4 18520 B12R2.2058 c1cc(CC2CNC2)ccn1 Amb35746796 [0,1,0,1,0,0|2,0,0]=4 18521 B12R2.2058 c1cc(CC2COC2)ccn1 Amb32456061 [0,1,0,1,0,0|1,0,0]=3 18522 B12R2.2058 c1cc(NC2CCC2)ccn1 Amb18285881 [0,1,0,1,0,0|2,0,0]=4 18523 B12R2.2058 c1cc(OC2COC2)ccn1 Amb34931990 [0,1,0,1,0,0|2,0,0]=4 18524 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb33552346 [0,1,0,1,0,0|1,0,0]=3 18525 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb7808794 [0,1,0,1,0,0|1,0,0]=3 18526 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb1123190 [0,1,0,1,0,0|1,0,0]=3 18527 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb19373673 [0,1,0,1,0,0|1,0,0]=3 18528 B12R2.2058 c1ccc(CC2CNC2)nc1 Amb23598870 [0,1,0,1,0,0|2,0,0]=4 18529 B12R2.2058 c1ccc(CC2COC2)cc1 Amb27602505 [0,1,0,1,0,0|0,0,0]=2 18530 B12R2.2058 c1ccc(CN2CCC2)cc1 Amb27391196 [0,1,0,1,0,0|1,0,0]=3 18531 B12R2.2058 c1ccc(CN2CCC2)nc1 Amb28197112 [0,1,0,1,0,0|2,0,0]=4 18532 B12R2.2058 c1ccc(NC2CCC2)cc1 Amb18283820 [0,1,0,1,0,0|1,0,0]=3 18533 B12R2.2058 c1ccc(NC2CCC2)nc1 Amb18285901 [0,1,0,1,0,0|2,0,0]=4 18534 B12R2.2058 c1ccc(NC2CNC2)cc1 Amb27252900 [0,1,0,1,0,0|2,0,0]=4 18535 B12R2.2058 c1ccc(NC2CNC2)cc1 Amb32686264 [0,1,0,1,0,0|2,0,0]=4 18536 B12R2.2058 c1ccc(NC2COC2)cc1 Amb33538163 [0,1,0,1,0,0|1,0,0]=3 18537 B12R2.2058 c1ccc(OC2CNC2)cc1 Amb15701497 [0,1,0,1,0,0|2,0,0]=4 18538 B12R2.2058 c1ccc(OC2CNC2)cc1 Amb19312256 [0,1,0,1,0,0|2,0,0]=4 18539 B12R2.2058 c1ccc(OC2COC2)nc1 Amb33609828 [0,1,0,1,0,0|2,0,0]=4 18540 B12R2.2058 c1ccc(SC2CCC2)cc1 Amb10976023 [0,1,0,1,0,0|1,0,0]=3 18541 B12R2.2058 c1ccc(SC2CNC2)cc1 Amb18798478 [0,1,0,1,0,0|2,0,0]=4 18542 B12R2.2058 c1ccc(SC2COC2)cc1 Amb25145934 [0,1,0,1,0,0|1,0,0]=3 18543 B12R2.2058 c1cncc(CC2CNC2)c1 Amb23598850 [0,1,0,1,0,0|2,0,0]=4 18544 B12R2.2058 c1cncc(CC2COC2)c1 Amb32456059 [0,1,0,1,0,0|1,0,0]=3 18545 B12R2.2058 c1cncc(CN2CCC2)c1 Amb28046964 [0,1,0,1,0,0|2,0,0]=4 18546 B12R2.2058 c1cncc(NC2CCC2)c1 Amb18957036 [0,1,0,1,0,0|2,0,0]=4 18547 B12R2.2058 c1cncc(NC2COC2)c1 Amb27209461 [0,1,0,1,0,0|2,0,0]=4 18548 B12R2.18 BN1c2ccccc2CC1C Amb27445828 [0,1,0,1,0,0|2,0,0]=4 18549 B12R2.18 C=C1Cc2ccccc2C1C Amb30007059 [0,1,0,1,0,0|1,0,1]=4 18550 B12R2.18 CC1=Cc2ccccc2C1O Amb17778950 [0,1,0,1,0,0|0,0,2]=4 18551 B12R2.18 CC1=Cc2ccccc2[C@H]1O Amb28319957 [0,1,0,1,0,0|0,0,2]=4 18552 B12R2.18 CC1C(=O)Cc2ccccc21 Amb20622460 [0,1,0,1,0,0|1,0,1]=4 18553 B12R2.18 CC1Cc2ccccc2C1=O Amb2724364 [0,1,0,1,0,0|0,0,2]=4 18554 B12R2.18 CC1Cc2ccccc2C1Cl Amb18183547 [0,1,0,1,0,0|1,0,0]=3 18555 B12R2.18 CC1Cc2ccccc2C1N Amb17232033 [0,1,0,1,0,0|1,0,0]=3 18556 B12R2.18 CC1Cc2ccccc2C1N Amb19373701 [0,1,0,1,0,0|1,0,0]=3 18557 B12R2.18 CC1Cc2ccccc2C1O Amb27228534 [0,1,0,1,0,0|0,0,0]=2 18558 B12R2.18 CC1Cc2ccccc2N1C Amb5718020 [0,1,0,1,0,0|2,0,0]=4 18559 B12R2.18 CC1Cc2ccccc2N1N Amb6298689 [0,1,0,1,0,0|2,0,0]=4 18560 B12R2.18 CC1Cc2ccccc2N1N Amb8629624 [0,1,0,1,0,0|2,0,0]=4 18561 B12R2.18 CC1Nc2ccccc2C1C Amb17593676 [0,1,0,1,0,0|2,0,0]=4 18562 B12R2.18 CC1Nc2ccccc2C1O Amb28076897 [0,1,0,1,0,0|1,0,0]=3 18563 B12R2.18 CC1Nc2ccccc2[C@H]1C Amb28341472 [0,1,0,1,0,0|2,0,0]=4 18564 B12R2.18 CC1Oc2ccccc2C1N Amb18943788 [0,1,0,1,0,0|2,0,0]=4 18565 B12R2.18 CC1Oc2ccccc2C1N Amb28974067 [0,1,0,1,0,0|2,0,0]=4 18566 B12R2.18 CC1Oc2cccnc2C1O Amb28141839 [0,1,0,1,0,0|2,0,0]=4 18567 B12R2.18 CC1Oc2cnccc2C1O Amb27764814 [0,1,0,1,0,0|2,0,0]=4 18568 B12R2.18 CC1Oc2ncccc2C1O Amb22372218 [0,1,0,1,0,0|2,0,0]=4 18569 B12R2.18 CC1c2ccccc2CC1Br Amb29887209 [0,1,0,1,0,0|1,0,0]=3 18570 B12R2.18 CC1c2ccccc2CC1Cl Amb29887229 [0,1,0,1,0,0|1,0,0]=3 18571 B12R2.18 CC1c2ccccc2CC1N Amb18124847 [0,1,0,1,0,0|1,0,0]=3 18572 B12R2.18 CC1c2ccccc2CC1N Amb32666792 [0,1,0,1,0,0|1,0,0]=3 18573 B12R2.18 CC1c2ccccc2CC1O Amb20622729 [0,1,0,1,0,0|1,0,0]=3 18574 B12R2.18 CC1c2ccccc2CC1S Amb30007058 [0,1,0,1,0,0|1,0,0]=3 18575 B12R2.18 CC1c2ccccc2CN1O Amb28399442 [0,1,0,1,0,0|2,0,0]=4 18576 B12R2.18 C[C@@H]1Cc2ccccc2[C@@H]1O Amb27663152 [0,1,0,1,0,0|0,0,0]=2 18577 B12R2.18 C[C@@H]1Cc2ccccc2[C@H]1N Amb27440506 [0,1,0,1,0,0|1,0,0]=3 18578 B12R2.18 C[C@@H]1Nc2ccccc2[C@H]1C Amb27205062 [0,1,0,1,0,0|2,0,0]=4 18579 B12R2.18 C[C@@H]1Oc2ccccc2[C@@H]1N Amb28325929 [0,1,0,1,0,0|2,0,0]=4 18580 B12R2.18 C[C@@H]1Oc2cccnc2[C@@H]1O Amb28401114 [0,1,0,1,0,0|2,0,0]=4 18581 B12R2.18 C[C@@H]1c2ccccc2C[C@H]1N Amb27817400 [0,1,0,1,0,0|1,0,0]=3 18582 B12R2.18 C[C@H]1Cc2ccccc2[C@@H]1N Amb27850448 [0,1,0,1,0,0|1,0,0]=3 18583 B12R2.18 C[C@H]1Oc2cccnc2[C@@H]1O Amb28064079 [0,1,0,1,0,0|2,0,0]=4 18584 B12R2.18 C[C@H]1Oc2cnccc2[C@@H]1O Amb27430760 [0,1,0,1,0,0|2,0,0]=4 18585 B12R2.18 C[C@H]1c2ccccc2C[C@H]1N Amb28723654 [0,1,0,1,0,0|1,0,0]=3 18586 B12R2.18 C[C@H]1c2ccccc2C[C@H]1N Amb32666899 [0,1,0,1,0,0|1,0,0]=3 18587 B12R2.18 C[C@H]1c2cnccc2C[C@H]1O Amb23604478 [0,1,0,1,0,0|2,0,0]=4 18588 B12R2.18 F[C@H]1Oc2ccccc2[C@@H]1Cl Amb28385762 [0,1,0,1,0,0|2,0,0]=4 18589 B12R2.18 F[C@H]1c2ccccc2C[C@@H]1Br Amb27268524 [0,1,0,1,0,0|1,0,0]=3 18590 B12R2.18 F[C@H]1c2ccccc2C[C@H]1Br Amb28130458 [0,1,0,1,0,0|1,0,0]=3 18591 B12R2.18 NC1C(=O)Cc2ccccc21 Amb25949607 [0,1,0,1,0,0|1,0,1]=4 18592 B12R2.18 NC1C(=O)Cc2ccccc21 Amb35788430 [0,1,0,1,0,0|1,0,1]=4 18593 B12R2.18 NC1Cc2ccccc2C1=O Amb17470380 [0,1,0,1,0,0|0,0,2]=4 18594 B12R2.18 NC1Cc2ccccc2C1=O Amb33548490 [0,1,0,1,0,0|0,0,2]=4 18595 B12R2.18 NC1Cc2ccccc2C1N Amb13953204 [0,1,0,1,0,0|1,0,0]=3 18596 B12R2.18 NC1Cc2ccccc2C1O Amb20623676 [0,1,0,1,0,0|0,0,0]=2 18597 B12R2.18 NC1Cc2ccccc2C1O Amb2383051 [0,1,0,1,0,0|0,0,0]=2 18598 B12R2.18 NC1c2ccccc2CC1Cl Amb4021194 [0,1,0,1,0,0|1,0,0]=3 18599 B12R2.18 NC1c2ccccc2CC1F Amb24459876 [0,1,0,1,0,0|1,0,0]=3 18600 B12R2.18 NC1c2ccccc2CC1F Amb32664161 [0,1,0,1,0,0|1,0,0]=3 18601 B12R2.18 NC1c2ccccc2CC1O Amb9781652 [0,1,0,1,0,0|1,0,0]=3 18602 B12R2.18 N[C@@H]1C(=O)Cc2ccccc21 Amb27202727 [0,1,0,1,0,0|1,0,1]=4 18603 B12R2.18 N[C@@H]1Cc2ccccc2[C@@H]1O Amb24501357 [0,1,0,1,0,0|0,0,0]=2 18604 B12R2.18 N[C@@H]1Cc2ccccc2[C@H]1F Amb27493415 [0,1,0,1,0,0|1,0,0]=3 18605 B12R2.18 N[C@@H]1Cc2ccccc2[C@H]1N Amb25911961 [0,1,0,1,0,0|1,0,0]=3 18606 B12R2.18 N[C@@H]1Cc2ccccc2[C@H]1O Amb22388538 [0,1,0,1,0,0|0,0,0]=2 18607 B12R2.18 N[C@@H]1Cc2ccccc2[C@H]1O Amb25379044 [0,1,0,1,0,0|0,0,0]=2 18608 B12R2.18 N[C@@H]1c2ccccc2C[C@@H]1O Amb2720522 [0,1,0,1,0,0|1,0,0]=3 18609 B12R2.18 N[C@@H]1c2ccccc2C[C@H]1O Amb10842210 [0,1,0,1,0,0|1,0,0]=3 18610 B12R2.18 N[C@@H]1c2ccccc2C[C@H]1O Amb32665023 [0,1,0,1,0,0|1,0,0]=3 18611 B12R2.18 N[C@H]1Cc2ccccc2[C@H]1N Amb27881687 [0,1,0,1,0,0|1,0,0]=3 18612 B12R2.18 N[C@H]1Cc2ccccc2[C@H]1O Amb24540566 [0,1,0,1,0,0|0,0,0]=2 18613 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O Amb10842191 [0,1,0,1,0,0|1,0,0]=3 18614 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O Amb32665024 [0,1,0,1,0,0|1,0,0]=3 18615 B12R2.18 N[C@H]1c2ccccc2C[C@H]1F Amb32664629 [0,1,0,1,0,0|1,0,0]=3 18616 B12R2.18 N[C@H]1c2ccccc2C[C@H]1F Amb32664630 [0,1,0,1,0,0|1,0,0]=3 18617 B12R2.18 N[C@H]1c2ccccc2C[C@H]1N Amb22745804 [0,1,0,1,0,0|1,0,0]=3 18618 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O Amb17779311 [0,1,0,1,0,0|1,0,0]=3 18619 B12R2.18 N[C@H]1c2ccccc2N[C@H]1O Amb27198050 [0,1,0,1,0,0|2,0,0]=4 18620 B12R2.18 O=C1Cc2ccccc2C1Br Amb21987890 [0,1,0,1,0,0|1,0,1]=4 18621 B12R2.18 O=C1Cc2ccccc2C1Cl Amb27159145 [0,1,0,1,0,0|1,0,1]=4 18622 B12R2.18 O=C1Cc2ccccc2N1O Amb17940424 [0,1,0,1,0,0|1,0,1]=4 18623 B12R2.18 O=C1Nc2ccccc2C1O Amb9748239 [0,1,0,1,0,0|1,0,1]=4 18624 B12R2.18 O=C1Sc2ccccc2C1O Amb27636570 [0,1,0,1,0,0|1,0,1]=4 18625 B12R2.18 O=C1c2ccccc2CC1Br Amb2724122 [0,1,0,1,0,0|0,0,2]=4 18626 B12R2.18 O=C1c2ccccc2CC1Cl Amb4402396 [0,1,0,1,0,0|0,0,2]=4 18627 B12R2.18 O=C1c2ccccc2CC1F Amb17593723 [0,1,0,1,0,0|0,0,2]=4 18628 B12R2.18 O=C1c2ccccc2CC1O Amb25342077 [0,1,0,1,0,0|0,0,2]=4 18629 B12R2.18 OC1Cc2ccccc2C1O Amb24323306 [0,1,0,1,0,0|0,0,0]=2 18630 B12R2.18 OC1Cc2ccncc2C1O Amb27425157 [0,1,0,1,0,0|1,0,0]=3 18631 B12R2.18 OC1Oc2ccccc2C1O Amb27945780 [0,1,0,1,0,0|1,0,0]=3 18632 B12R2.18 OC1Sc2ccccc2C1O Amb27853727 [0,1,0,1,0,0|1,0,0]=3 18633 B12R2.18 OC1c2ccccc2CC1Br Amb1159074 [0,1,0,1,0,0|0,0,0]=2 18634 B12R2.18 OC1c2ccccc2CC1F Amb24423988 [0,1,0,1,0,0|0,0,0]=2 18635 B12R2.18 OC1c2ccccc2CC1S Amb27397064 [0,1,0,1,0,0|0,0,0]=2 18636 B12R2.18 O[C@@H]1Cc2ccccc2[C@@H]1F Amb27428306 [0,1,0,1,0,0|1,0,0]=3 18637 B12R2.18 O[C@@H]1Cc2ccccc2[C@H]1O Amb10982589 [0,1,0,1,0,0|0,0,0]=2 18638 B12R2.18 O[C@@H]1Sc2ccccc2[C@H]1O Amb28344973 [0,1,0,1,0,0|1,0,0]=3 18639 B12R2.18 O[C@@H]1c2ccccc2CC1Br Amb27176336 [0,1,0,1,0,0|0,0,0]=2 18640 B12R2.18 O[C@@H]1c2ccccc2C[C@@H]1Cl Amb8394042 [0,1,0,1,0,0|0,0,0]=2 18641 B12R2.18 O[C@@H]1c2ccccc2C[C@H]1Br Amb28053369 [0,1,0,1,0,0|0,0,0]=2 18642 B12R2.18 O[C@@H]1c2ccccc2C[C@H]1Cl Amb24519428 [0,1,0,1,0,0|0,0,0]=2 18643 B12R2.18 O[C@@H]1c2ccccc2C[C@H]1F Amb27228144 [0,1,0,1,0,0|0,0,0]=2 18644 B12R2.18 O[C@H]1Cc2ccccc2[C@@H]1Cl Amb28052052 [0,1,0,1,0,0|1,0,0]=3 18645 B12R2.18 O[C@H]1Cc2ccccc2[C@@H]1O Amb27427979 [0,1,0,1,0,0|0,0,0]=2 18646 B12R2.18 O[C@H]1Oc2ccccc2[C@H]1O Amb27782441 [0,1,0,1,0,0|1,0,0]=3 18647 B12R2.18 O[C@H]1c2ccccc2CC1Br Amb25061997 [0,1,0,1,0,0|0,0,0]=2 18648 B12R2.18 O[C@H]1c2ccccc2C[C@@H]1Br Amb8629277 [0,1,0,1,0,0|0,0,0]=2 18649 B12R2.18 O[C@H]1c2ccccc2C[C@@H]1Cl Amb26565760 [0,1,0,1,0,0|0,0,0]=2 18650 B12R2.18 O[C@H]1c2ccccc2C[C@H]1Br Amb27446678 [0,1,0,1,0,0|0,0,0]=2 18651 B12R2.18 O[C@H]1c2ccccc2C[C@H]1Cl Amb2609427 [0,1,0,1,0,0|0,0,0]=2 18652 B12R2.18 O[C@H]1c2ccccc2C[C@H]1F Amb25176954 [0,1,0,1,0,0|0,0,0]=2 18653 B12R2.18 [NH3+]C1c2ccccc2CC1O Amb33512943 [0,1,0,1,0,0|1,0,0]=3 18654 B12R2.37 CC1C(=O)C1c2ccccc2 Amb28324419 [0,1,0,1,0,0|0,0,2]=4 18655 B12R2.37 CC1C(N)C1c2ccccc2 Amb26503439 [0,1,0,1,0,0|1,0,0]=3 18656 B12R2.37 CC1C(N)C1c2ccccc2 Amb35751900 [0,1,0,1,0,0|1,0,0]=3 18657 B12R2.37 CC1C(c2ccccc2)N1C Amb29838148 [0,1,0,1,0,0|2,0,0]=4 18658 B12R2.37 NC1C(N)C1c2ccccc2 Amb27791909 [0,1,0,1,0,0|1,0,0]=3 18659 B12R2.94 CC1(Cc2ccccc2)CO1 Amb26023524 [0,1,0,1,0,0|0,0,0]=2 18660 B12R2.94 CC1(Cc2ccccn2)CO1 Amb27749783 [0,1,0,1,0,0|1,0,0]=3 18661 B12R2.94 CC1(Nc2ccccc2)CC1 Amb27176430 [0,1,0,1,0,0|2,0,0]=4 18662 B12R2.94 ClC1(Sc2ccccc2)CC1 Amb27948044 [0,1,0,1,0,0|2,0,0]=4 18663 B12R2.94 FC1(Cc2ccccc2)CC1 Amb28326343 [0,1,0,1,0,0|1,0,0]=3 18664 B12R2.94 FC1(Cc2ccccc2)N=N1 Amb24425472 [0,1,0,1,0,0|2,0,0]=4 18665 B12R2.94 NC1(Cc2ccccc2)CC1 Amb22587208 [0,1,0,1,0,0|1,0,0]=3 18666 B12R2.94 NC1(Cc2ccccc2)CC1 Amb2607807 [0,1,0,1,0,0|1,0,0]=3 18667 B12R2.94 NC1(Cc2ccccc2)CC1 Amb2721362 [0,1,0,1,0,0|1,0,0]=3 18668 B12R2.94 NC1(Cc2ccccn2)CC1 Amb18963284 [0,1,0,1,0,0|2,0,0]=4 18669 B12R2.94 NC1(Cc2cccnc2)CC1 Amb18286910 [0,1,0,1,0,0|2,0,0]=4 18670 B12R2.94 NC1(Cc2ccncc2)CC1 Amb18286716 [0,1,0,1,0,0|2,0,0]=4 18671 B12R2.94 OC1(Cc2ccccc2)CC1 Amb19374431 [0,1,0,1,0,0|1,0,0]=3 18672 B12R2.94 OC1(Cc2ccccn2)CC1 Amb33360132 [0,1,0,1,0,0|2,0,0]=4 18673 B12R2.94 OC1(Cc2cccnc2)CC1 Amb27207956 [0,1,0,1,0,0|2,0,0]=4 18674 B12R2.94 OC1(Cc2ccncc2)CC1 Amb25768733 [0,1,0,1,0,0|2,0,0]=4 18675 B12R2.2051 C=CC1(C)Cc2ccccc21 Amb17778871 [0,1,0,1,0,0|1,0,1]=4 18676 B12R2.92 BrC1(Br)CC1c2ccccc2 Amb22363907 [0,1,0,1,0,0|1,0,0]=3 18677 B12R2.92 CC1(C)CC1c2ccccc2 Amb22052702 [0,1,0,1,0,0|1,0,0]=3 18678 B12R2.92 CC1(C)NC1c2ccccc2 Amb24056776 [0,1,0,1,0,0|2,0,0]=4 18679 B12R2.92 CC1(C)OC1c2ccccc2 Amb21964286 [0,1,0,1,0,0|2,0,0]=4 18680 B12R2.92 CC1(N)CC1c2ccccc2 Amb26359436 [0,1,0,1,0,0|1,0,0]=3 18681 B12R2.92 CC1(N)CC1c2ccccc2 Amb32661502 [0,1,0,1,0,0|1,0,0]=3 18682 B12R2.92 CC1(O)OC1c2ccccc2 Amb24353312 [0,1,0,1,0,0|1,0,0]=3 18683 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 Amb25378765 [0,1,0,1,0,0|1,0,0]=3 18684 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 Amb28641944 [0,1,0,1,0,0|1,0,0]=3 18685 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 Amb33743331 [0,1,0,1,0,0|0,0,0]=2 18686 B12R2.92 ClC1(Cl)CC1c2ccccc2 Amb2686915 [0,1,0,1,0,0|1,0,0]=3 18687 B12R2.92 FC1(F)CC1c2ccccc2 Amb22227684 [0,1,0,1,0,0|1,0,0]=3 18688 B12R2.2403 CC1(C)CCc2ccccc21 Amb24657207 [0,1,0,1,0,0|1,0,0]=3 18689 B12R2.2403 CC1(C)CNc2ccccc21 Amb17232031 [0,1,0,1,0,0|2,0,0]=4 18690 B12R2.2403 CC1(C)CNc2ccccc21 Amb20630653 [0,1,0,1,0,0|2,0,0]=4 18691 B12R2.2403 CC1(C)COc2ccccc21 Amb26005281 [0,1,0,1,0,0|2,0,0]=4 18692 B12R2.2403 CC1(C)CSc2ccccc21 Amb27765267 [0,1,0,1,0,0|2,0,0]=4 18693 B12R2.2403 CC1(C)NCc2ccccc21 Amb23439228 [0,1,0,1,0,0|2,0,0]=4 18694 B12R2.2403 CC1(C)OCc2ccccc21 Amb23558274 [0,1,0,1,0,0|2,0,0]=4 18695 B12R2.2403 CC1(F)CCc2ccccc21 Amb27958822 [0,1,0,1,0,0|1,0,0]=3 18696 B12R2.2403 CC1(N)CCc2ccccc21 Amb32664163 [0,1,0,1,0,0|1,0,0]=3 18697 B12R2.2403 CC1(N)CCc2ccccc21 Amb9676193 [0,1,0,1,0,0|1,0,0]=3 18698 B12R2.2403 CC1(O)CCc2ccccc21 Amb9676017 [0,1,0,1,0,0|0,0,0]=2 18699 B12R2.2403 CC1(O)COc2ncccc21 Amb27803802 [0,1,0,1,0,0|2,0,0]=4 18700 B12R2.2403 FC1(F)CCc2ccccc21 Amb28434831 [0,1,0,1,0,0|1,0,0]=3 18701 B12R2.2403 FC1(F)CNc2ccccc21 Amb26606151 [0,1,0,1,0,0|2,0,0]=4 18702 B12R2.2403 N=S1(=O)CCc2ccccc21 Amb32666887 [0,1,0,1,0,0|1,0,1]=4 18703 B12R2.2403 NC1(O)CCc2ccccc21 Amb2699122 [0,1,0,1,0,0|0,0,0]=2 18704 B12R2.2403 N[C@@]1(O)CCc2ccccc21 Amb28072855 [0,1,0,1,0,0|0,0,0]=2 18705 B12R2.2403 O=S1(=O)CCc2ccccc21 Amb5719001 [0,1,0,1,0,0|1,0,1]=4 18706 B12R2.3190 CC(=O)C1Cc2ccccc21 Amb28066759 [0,1,0,1,0,0|0,0,2]=4 18707 B12R2.3190 CC(N)C1Cc2ccccc21 Amb33527560 [0,1,0,1,0,0|1,0,0]=3 18708 B12R2.3190 N=C(N)C1Cc2ccccc21 Amb28652925 [0,1,0,1,0,0|1,0,1]=4 18709 B12R2.3190 NC(=O)C1Cc2ccccc21 Amb25064297 [0,1,0,1,0,0|0,0,2]=4 18710 B12R2.3190 O=C(Cl)C1Cc2ccccc21 Amb24745572 [0,1,0,1,0,0|0,0,2]=4 18711 B12R2.3190 O=C(O)C1Cc2ccccc21 Amb4017188 [0,1,0,1,0,0|0,0,1]=3 18712 B12R3.12 c1ccc2c(c1)CC3OC23 Amb1131588 [0,0,0,2,0,0|0,0,0]=2 18713 B12R3.12 c1ccc2c(c1)C[C@@H]3O[C@H]23 Amb6893758 [0,0,0,2,0,0|0,0,0]=2 18714 B12R3.1604 C1=CN2C=C3OCC(=C13)C2 Amb24100739 [0,0,0,2,0,0|1,0,1]=4 18715 B8R1.8 BrCCc1ccco1 Amb22752866 [1,0,0,0,1,0|2,0,0]=4 18716 B8R1.8 BrCCc1cccs1 Amb16234134 [1,0,0,0,1,0|2,0,0]=4 18717 B8R1.8 BrCCc1ccoc1 Amb19374721 [1,0,0,0,1,0|2,0,0]=4 18718 B8R1.8 BrCCc1ccsc1 Amb18325324 [1,0,0,0,1,0|2,0,0]=4 18719 B8R1.8 BrCCn1cccc1 Amb17933298 [1,0,0,0,1,0|2,0,0]=4 18720 B8R1.8 CCCc1ccco1 Amb10070288 [1,0,0,0,1,0|1,0,0]=3 18721 B8R1.8 CCCc1cccs1 Amb2690417 [1,0,0,0,1,0|1,0,0]=3 18722 B8R1.8 CCCc1ccsc1 Amb17689448 [1,0,0,0,1,0|1,0,0]=3 18723 B8R1.8 CCCc1cnco1 Amb35647887 [1,0,0,0,1,0|2,0,0]=4 18724 B8R1.8 CCCc1cncs1 Amb27954740 [1,0,0,0,1,0|2,0,0]=4 18725 B8R1.8 CCCc1cscn1 Amb13884094 [1,0,0,0,1,0|2,0,0]=4 18726 B8R1.8 CCCc1nccs1 Amb2725496 [1,0,0,0,1,0|2,0,0]=4 18727 B8R1.8 CCCn1cccn1 Amb6889733 [1,0,0,0,1,0|2,0,0]=4 18728 B8R1.8 CCCn1ccnc1 Amb8390623 [1,0,0,0,1,0|2,0,0]=4 18729 B8R1.8 CCNc1ccco1 Amb27593280 [1,0,0,0,1,0|2,0,0]=4 18730 B8R1.8 CCSc1ccco1 Amb27667158 [1,0,0,0,1,0|2,0,0]=4 18731 B8R1.8 CCSc1cccs1 Amb17845323 [1,0,0,0,1,0|2,0,0]=4 18732 B8R1.8 CCSc1ccsc1 Amb27797484 [1,0,0,0,1,0|2,0,0]=4 18733 B8R1.8 CNCc1ccco1 Amb1153202 [1,0,0,0,1,0|2,0,0]=4 18734 B8R1.8 CNCc1ccco1 Amb7172520 [1,0,0,0,1,0|2,0,0]=4 18735 B8R1.8 CNCc1cccs1 Amb1152299 [1,0,0,0,1,0|2,0,0]=4 18736 B8R1.8 CNCc1cccs1 Amb6344856 [1,0,0,0,1,0|2,0,0]=4 18737 B8R1.8 CNCc1ccoc1 Amb2237058 [1,0,0,0,1,0|2,0,0]=4 18738 B8R1.8 CNCc1ccsc1 Amb1154137 [1,0,0,0,1,0|2,0,0]=4 18739 B8R1.8 CNCc1ccsc1 Amb6344857 [1,0,0,0,1,0|2,0,0]=4 18740 B8R1.8 COCc1ccco1 Amb24116969 [1,0,0,0,1,0|2,0,0]=4 18741 B8R1.8 COCc1cccs1 Amb25169518 [1,0,0,0,1,0|2,0,0]=4 18742 B8R1.8 COCc1ccsc1 Amb28051701 [1,0,0,0,1,0|2,0,0]=4 18743 B8R1.8 COCn1cccc1 Amb23401113 [1,0,0,0,1,0|2,0,0]=4 18744 B8R1.8 CSCc1ccco1 Amb8393158 [1,0,0,0,1,0|2,0,0]=4 18745 B8R1.8 CSCc1ccsc1 Amb27267899 [1,0,0,0,1,0|2,0,0]=4 18746 B8R1.8 ClCCc1cccs1 Amb9004334 [1,0,0,0,1,0|2,0,0]=4 18747 B8R1.8 ClCCc1ccoc1 Amb28381646 [1,0,0,0,1,0|2,0,0]=4 18748 B8R1.8 ClCCn1cccc1 Amb19944678 [1,0,0,0,1,0|2,0,0]=4 18749 B8R1.8 FCCn1cccc1 Amb27758353 [1,0,0,0,1,0|2,0,0]=4 18750 B8R1.8 ICCc1ccco1 Amb27224391 [1,0,0,0,1,0|2,0,0]=4 18751 B8R1.8 ICCn1cccc1 Amb9174999 [1,0,0,0,1,0|2,0,0]=4 18752 B8R1.8 NCCC1=CC=CC1 Amb27975816 [1,0,0,0,1,0|1,0,1]=4 18753 B8R1.8 NCCC1C=CC=C1 Amb27596137 [1,0,0,0,1,0|1,0,1]=4 18754 B8R1.8 NCC[c-]1cccc1 Amb28341069 [1,0,0,0,1,0|1,0,1]=4 18755 B8R1.8 NCCc1ccco1 Amb1080943 [1,0,0,0,1,0|2,0,0]=4 18756 B8R1.8 NCCc1ccco1 Amb22587649 [1,0,0,0,1,0|2,0,0]=4 18757 B8R1.8 NCCc1cccs1 Amb1073690 [1,0,0,0,1,0|2,0,0]=4 18758 B8R1.8 NCCc1cccs1 Amb6858256 [1,0,0,0,1,0|2,0,0]=4 18759 B8R1.8 NCCc1ccoc1 Amb18833105 [1,0,0,0,1,0|2,0,0]=4 18760 B8R1.8 NCCc1ccoc1 Amb31146576 [1,0,0,0,1,0|2,0,0]=4 18761 B8R1.8 NCCc1ccsc1 Amb2236392 [1,0,0,0,1,0|2,0,0]=4 18762 B8R1.8 NCCc1ccsc1 Amb8631337 [1,0,0,0,1,0|2,0,0]=4 18763 B8R1.8 NCCn1cccc1 Amb2422800 [1,0,0,0,1,0|2,0,0]=4 18764 B8R1.8 OCC=C1C=CC=C1 Amb27662404 [1,0,0,0,1,0|0,0,1]=3 18765 B8R1.8 OCC[n+]1ccsc1 Amb24518966 [1,0,0,0,1,0|2,0,0]=4 18766 B8R1.8 OCCc1ccco1 Amb17089516 [1,0,0,0,1,0|1,0,0]=3 18767 B8R1.8 OCCc1cccs1 Amb2099445 [1,0,0,0,1,0|1,0,0]=3 18768 B8R1.8 OCCc1ccno1 Amb27164449 [1,0,0,0,1,0|2,0,0]=4 18769 B8R1.8 OCCc1ccns1 Amb23441022 [1,0,0,0,1,0|2,0,0]=4 18770 B8R1.8 OCCc1ccoc1 Amb25802261 [1,0,0,0,1,0|1,0,0]=3 18771 B8R1.8 OCCc1ccon1 Amb33198329 [1,0,0,0,1,0|2,0,0]=4 18772 B8R1.8 OCCc1ccsc1 Amb3939119 [1,0,0,0,1,0|1,0,0]=3 18773 B8R1.8 OCCc1ccsn1 Amb28453528 [1,0,0,0,1,0|2,0,0]=4 18774 B8R1.8 OCCc1cnco1 Amb33474917 [1,0,0,0,1,0|2,0,0]=4 18775 B8R1.8 OCCc1cncs1 Amb33544209 [1,0,0,0,1,0|2,0,0]=4 18776 B8R1.8 OCCc1cnoc1 Amb1971497 [1,0,0,0,1,0|2,0,0]=4 18777 B8R1.8 OCCc1cnsc1 Amb32945188 [1,0,0,0,1,0|2,0,0]=4 18778 B8R1.8 OCCc1cocn1 Amb17399797 [1,0,0,0,1,0|2,0,0]=4 18779 B8R1.8 OCCc1cscn1 Amb33548480 [1,0,0,0,1,0|2,0,0]=4 18780 B8R1.8 OCCc1ncco1 Amb27495611 [1,0,0,0,1,0|2,0,0]=4 18781 B8R1.8 OCCc1nccs1 Amb33547163 [1,0,0,0,1,0|2,0,0]=4 18782 B8R1.8 OCCn1cccc1 Amb9174997 [1,0,0,0,1,0|1,0,0]=3 18783 B8R1.8 OCCn1cccn1 Amb6382238 [1,0,0,0,1,0|2,0,0]=4 18784 B8R1.8 OCCn1ccnc1 Amb2688741 [1,0,0,0,1,0|2,0,0]=4 18785 B8R1.8 ONCc1ccco1 Amb23449450 [1,0,0,0,1,0|2,0,0]=4 18786 B8R1.8 ONCc1cccs1 Amb23449451 [1,0,0,0,1,0|2,0,0]=4 18787 B8R1.8 ONCc1ccoc1 Amb28059138 [1,0,0,0,1,0|2,0,0]=4 18788 B8R1.8 ONCc1ccsc1 Amb25994264 [1,0,0,0,1,0|2,0,0]=4 18789 B8R1.8 SCCc1ccco1 Amb24511324 [1,0,0,0,1,0|1,1,0]=4 18790 B8R1.8 SCCc1cccs1 Amb17399886 [1,0,0,0,1,0|1,1,0]=4 18791 B8R1.8 SCCc1ccoc1 Amb33360331 [1,0,0,0,1,0|1,1,0]=4 18792 B8R1.8 SCCc1ccsc1 Amb25300451 [1,0,0,0,1,0|1,1,0]=4 18793 B12R1.329 NCCCC1=CC=CC=CC=C1 Amb26874815 [0,0,0,0,0,2|1,0,0]=3 18794 B12R1.329 OC\C=C\C1=CC=CC=CC=C1 Amb27980523 [0,0,0,0,0,2|0,0,2]=4