0 B10R1.4 BrCCc1ccccc1C PI-21423 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.4 BrCCc1ccccc1Cl PI-21413 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.4 BrCCc1ccccc1F PI-34239 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.4 C1=CC=C(C(=C1)N=C=S)Br PI-14504 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.4 C1=CC=C(C(=C1)N=C=S)F PI-19528 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.4 CCOC1=NC=CN=C1C PI-11922 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.4 CCOc1ccncc1N PI-33891 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.4 C[N+]1=CC=CC=C1C=NO PI-17371 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.4 N#CCc1ccccc1Cl PI-11829 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.4 N#CCc1ccccc1N PI-16130 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.4 NCCc1ccccc1Br PI-39292 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.4 NCCc1ccccc1Cl PI-20209 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.4 NCCc1ccccc1F PI-38584 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.4 NOCc1ccccc1Cl PI-39246 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.4 O=C=Nc1ccccc1F PI-26192 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|1,0,2]=4 54 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 BrCc1ccccc1Br PI-11809 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 BrCc1ccccc1I PI-29573 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.15 C1=CC(=C(N=C1)CBr)Br PI-47183 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 C1=CC(=C(N=C1)CO)Br PI-44198 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 C1=CC(=C(N=C1)Cl)CO PI-33153 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.15 C1=CN=CC(=C1Cl)CO PI-34716 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.15 CC1=C(N=CC=C1)C#N PI-16162 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.15 CC1=NC=CN=C1SC PI-11047 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.15 CCC1=NC=CN=C1C PI-11842 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.15 CC[N+]1=CC=CC=C1Br PI-14423 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.15 CCc1ccccc1C PI-36541 [1,0,0,0,0,0|0,0,0]=1 101 B9R1.15 CCc1nccnc1C PI-11841 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 CCc1ncncc1F PI-15252 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.15 CNc1cccnc1Cl PI-32645 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 COC1=C(C=CC=N1)Br PI-26112 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 COC1=C(C=CC=N1)N PI-24213 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 COC1=C(N=CC=C1)I PI-26982 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.15 COc1ccc[nH]c1=O PI-26288 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 COc1ccccc1S PI-21364 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.15 COc1cccnc1Br PI-26342 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 COc1cccnc1Cl PI-27671 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.15 COc1nccnc1C PI-11042 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 CSc1ccccc1I PI-13705 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,0,0,0,0,0|1,0,2]=4 125 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,0,0,0,0,0|1,0,2]=4 126 B9R1.15 N#Cc1ccccc1F PI-27555 [1,0,0,0,0,0|1,0,2]=4 127 B9R1.15 N#Cc1ccccc1N PI-11517 [1,0,0,0,0,0|1,0,2]=4 128 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,0,0,0,0|1,0,2]=4 129 B9R1.15 N#Cc1cnccc1C PI-16376 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.15 NC1=NC=CC=C1OC PI-39996 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 NCC1=NC=CN=C1Cl PI-42457 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.15 NCc1ccccc1Br PI-38543 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.15 NCc1ncccc1C PI-36263 [1,0,0,0,0,0|1,0,0]=2 134 B9R1.15 NNc1ccccc1C PI-29808 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.15 OCc1ccccc1F PI-28537 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.15 OCc1ccccc1O PI-36548 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.15 OCc1cccnc1N PI-33953 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.15 SCc1ccccc1F PI-23494 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,0,0,0,0,0|2,0,1]=4 143 B11R1.13 C1=CC(=C(C(=C1)Cl)Cl)CC#N PI-16138 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.13 C1=CC(=C(C(=C1)F)F)CC#N PI-33129 [0,1,0,0,0,0|1,0,2]=4 145 B11R1.13 CC1=C(C(=CC=C1)N=C=S)C PI-23926 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.13 CC1=C(C=CC=C1Cl)N=C=O PI-20174 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.13 CC1=C(C=CC=C1Cl)N=C=S PI-19267 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.13 CCOC1=C(C(=CC=C1)F)F PI-21166 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.13 Cc1c(cccc1F)N=C=S PI-23770 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.17 C1=CC=C(C(=C1)C#CCO)Br PI-14510 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.17 C1=CC=C(C(=C1)C#CCO)Cl PI-20216 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F PI-26108 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.17 C1=CC=C(C(=C1)CN=C=S)Cl PI-23616 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.17 C1=CC=C(C(=C1)CN=C=S)F PI-23491 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.17 CC1=CC=CC=C1CN=C=O PI-11437 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.17 OCCSc1ccccc1Br PI-22561 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.41 C1=CC=C(C(=C1)CCBr)C=O PI-32624 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.41 CCOc1ccccc1C#N PI-16029 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.41 COC1=CC=CC=C1CCN PI-31713 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.41 COC1=CC=CC=C1N=C=O PI-11426 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.41 O\N=C\c1ccccc1OC PI-27438 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CC#N PI-32218 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN PI-11209 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO PI-35237 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.81 C1=CC(=C(C=C1Cl)F)CC#N PI-35241 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.81 C1=CC(=C(C=C1F)Cl)CC#N PI-20106 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.81 C1=CC(=C(C=C1F)Cl)CCO PI-17322 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.81 C1=CC(=C(C=C1F)F)CC#N PI-28729 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.81 CC1=C(C=CC(=C1)Br)N=C=O PI-14478 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.81 CC1=C(C=CC(=C1)Br)N=C=S PI-14479 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.81 CC1=C(C=CC(=C1)F)N=C=S PI-23772 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [0,1,0,0,0,0|0,0,0]=1 174 B11R1.81 CC1=CC(=C(C=C1)N=C=S)C PI-23927 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.81 CC1=CC(=C(C=C1)NC=O)C PI-23924 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.81 CCCC1=C(C=C(C=C1)O)O PI-19259 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.81 CCNC1=C(C=C(C=C1)Cl)N PI-20049 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.81 N#CCc1ccc(Br)cc1F PI-35860 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.86 CC1=NC=CN=C1CC(C)C PI-48497 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.86 FC(F)Oc1ccccc1N PI-21174 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.86 FC(Oc1ccccc1Br)F PI-21192 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.182 C1=CC(=C(C=C1Cl)CC#N)Cl PI-35239 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.182 CC1=C(C=C(C=C1)Cl)N=C=O PI-24398 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.182 CC1=C(C=C(C=C1)F)N=C=S PI-23774 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.182 CC1=CC(=C(C=C1)C)CCN PI-23899 [0,1,0,0,0,0|0,0,0]=1 199 B11R1.182 CC1=CC(=C(C=C1)C)N=C=S PI-23928 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.182 CCOC1=C(C=CC(=C1)N)Br PI-16386 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.182 Cc1ccc(F)cc1CC#N PI-23764 [0,1,0,0,0,0|0,0,2]=3 202 B11R1.182 Cc1ccc(O)cc1NCC PI-11924 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.182 FC1=C(CC#N)C=C(Cl)C=C1 PI-40312 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.182 Fc1ccc(cc1CC#N)F PI-28764 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.605 C1=C(C(=C(C=C1)Cl)CC#N)F PI-28801 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.605 C1=CC(=C(C(=C1)Cl)CC#N)Cl PI-11764 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl PI-35238 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.605 CC1=C(C(=CC=C1)C)N=C=O PI-11412 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.605 CC1=C(C(=CC=C1)C)N=C=S PI-23929 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.605 CC1=C(C(=CC=C1)Cl)N=C=O PI-20173 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.605 CCCc1c(O)cccc1O PI-19109 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.605 N#CCc1c(F)cccc1F PI-28726 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.605 NCCc1c(F)cccc1Cl PI-17329 [0,1,0,0,0,0|1,0,0]=2 226 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,0,1,0,0,0|2,0,1]=4 227 B11R2.10 C1=CC2=NN(N=C2C=C1)N PI-17282 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.10 C1=CC=C2C(=C1)N=C(S2)N PI-45314 [0,0,0,1,0,0|2,0,1]=4 229 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,0,1,0,0|1,0,1]=3 230 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,0,1,0,0|1,0,0]=2 231 B11R2.10 C1C2=CC=CC=C2C=C1Br PI-24035 [0,0,0,1,0,0|1,0,2]=4 232 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,0,1,0,0|1,0,2]=4 233 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,0,1,0,0|2,0,0]=3 234 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,0,1,0,0|0,0,0]=1 236 B11R2.10 Nc1nc2c(s1)cccc2 PI-31667 [0,0,0,1,0,0|2,0,1]=4 237 B11R2.10 Nc1nc2ccccc2[nH]1 PI-31350 [0,0,0,1,0,0|2,0,1]=4 238 B11R2.10 Nc1nc2ccccc2o1 PI-17283 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.10 O=C1Cc2ccccc2O1 PI-18682 [0,0,0,1,0,0|2,0,1]=4 241 B11R2.20 C12=CN=CN=C1CCCC2 PI-46709 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,0,1,0,0|1,0,1]=3 243 B11R2.20 C1CC2=C(C=CC=N2)NC1 PI-47349 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.20 C1CC2=C(C=CN=C2)NC1 PI-47348 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.20 C1CCC2=NC=CN=C2C1 PI-48515 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [0,0,0,1,0,0|2,0,0]=3 247 B11R2.20 C1CCc2ccccc2N1 PI-32264 [0,0,0,1,0,0|2,0,0]=3 248 B11R2.20 C1CCc2cccnc2C1 PI-10313 [0,0,0,1,0,0|2,0,0]=3 249 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,0,0,1,0,0|0,0,2]=3 250 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [0,0,0,1,0,0|0,0,0]=1 251 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [0,0,0,1,0,0|0,0,0]=1 252 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.106 BrC1=CC=CC2=C1CC=C2 PI-40279 [0,0,0,1,0,0|2,0,1]=4 254 B11R2.106 Brc1cccc2CCNc12 PI-35985 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.106 Brc1cccc2[nH]ccc12 PI-10309 [0,0,0,1,0,0|1,0,2]=4 256 B11R2.106 Brc1cccc2[nH]ncc12 PI-34921 [0,0,0,1,0,0|2,0,1]=4 257 B11R2.106 C1=CC(=C2C=CNC2=C1)N PI-16825 [0,0,0,1,0,0|1,0,2]=4 258 B11R2.106 C1=CC2=C(C(=C1)N)C=N[NH]2 PI-34925 [0,0,0,1,0,0|2,0,1]=4 259 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl PI-16268 [0,0,0,1,0,0|1,0,2]=4 260 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F PI-16506 [0,0,0,1,0,0|1,0,2]=4 261 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl PI-34922 [0,0,0,1,0,0|2,0,1]=4 262 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F PI-34923 [0,0,0,1,0,0|2,0,1]=4 263 B11R2.106 C1=CC2=C(C=NN2)C(=C1)I PI-34924 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.106 C1=CC2=C(C=NN2)C(=C1)O PI-40522 [0,0,0,1,0,0|2,0,1]=4 265 B11R2.106 C1C2=C(CS1)C(=CC=C2)Br PI-48436 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.106 C1CNC2=C1C(=CC=C2)Br PI-36066 [0,0,0,1,0,0|1,0,0]=2 267 B11R2.106 C1CNC2=C1C(=CC=C2)Cl PI-11092 [0,0,0,1,0,0|1,0,0]=2 268 B11R2.106 CC1=C2C(=CC=C1)SC=N2 PI-45359 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.106 CC1=C2C=CNC2=CC=C1 PI-16828 [0,0,0,1,0,0|0,0,2]=3 270 B11R2.106 CC1=C2CNCC2=CC=C1 PI-36193 [0,0,0,1,0,0|2,0,0]=3 271 B11R2.106 CC1=NC=CC2=C1C=CN2 PI-36983 [0,0,0,1,0,0|1,0,2]=4 272 B11R2.106 Cc1cccc2c1NCC2 PI-38356 [0,0,0,1,0,0|2,0,0]=3 273 B11R2.106 Cc1cccc2c1[nH]cc2 PI-16266 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.106 Cc1cccc2c1[nH]cn2 PI-38923 [0,0,0,1,0,0|1,0,2]=4 275 B11R2.106 Ic1cccc2[nH]cnc12 PI-36396 [0,0,0,1,0,0|2,0,1]=4 276 B11R2.106 OC1=C2N=NNC2=CC=C1 PI-20735 [0,0,0,1,0,0|3,0,0]=4 277 B11R2.106 Oc1cccc2[nH]ccc12 PI-16269 [0,0,0,1,0,0|1,0,2]=4 278 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,0,1,0,0|1,0,0]=2 279 B9R1.33 Cc1ncsc1CCCl PI-38383 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.33 Cc1ncsc1CCCl PI-40766 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.33 Cc1ncsc1CCO PI-15832 [0,0,0,0,1,0|3,0,0]=4 282 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 284 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,0]=2 305 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,0]=3 307 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.2 NCc1ncccn1 PI-34855 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 NCc1ncccn1 PI-34856 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 317 B8R1.5 BrC1=NC=CC=C1N PI-28492 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.5 Brc1ccccc1Br PI-38145 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.5 Brc1cccnc1N PI-30126 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [2,0,0,0,0,0|1,0,0]=3 328 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.5 C1=CN=CC(=C1Cl)N PI-28262 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.5 CC1=CC=CC=C1I PI-10980 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.5 CC1=NC=CN=C1C PI-11734 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 Cc1ccccc1F PI-34118 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.5 Cc1cccnc1Br PI-28405 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.5 Cc1cccnc1Cl PI-33878 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 Cc1ccncc1Br PI-23509 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.5 Cc1ccncc1N PI-24336 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.5 Cc1cnccc1Br PI-33360 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.5 Cc1cnccc1O PI-38275 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 Clc1cccc[n+]1C PI-17309 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.5 Fc1ccccc1Br PI-33063 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.5 Fc1ccccc1F PI-11671 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.5 IC1=CC=CC=C1Br PI-21523 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.5 IC1=CC=CC=C1I PI-21274 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.5 Ic1cccnc1N PI-36512 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.5 NC1=C(C=NC=C1)F PI-40470 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.5 Nc1cccnc1C PI-13066 [2,0,0,0,0,0|1,0,0]=3 360 B8R1.5 Nc1cccnc1Cl PI-24529 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.5 Nc1cccnc1N PI-10159 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.5 Nc1ccncc1Br PI-16045 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.5 Nc1cnccc1I PI-36511 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.5 Nc1cnccc1N PI-16569 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.5 O=c1[nH]cccc1C PI-16687 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.5 O=c1ccccn1C PI-10985 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.5 Oc1ccccc1Br PI-10952 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.5 Oc1ccccc1O PI-31351 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.5 Oc1ccccc1S PI-20878 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.5 Oc1cccnc1C PI-13315 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.5 Oc1cccnc1N PI-16260 [2,0,0,0,0,0|2,0,0]=4 373 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|0,0,2]=4 379 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|0,0,0]=2 403 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|0,0,0]=2 410 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|0,0,2]=4 416 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|0,0,2]=4 417 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|0,0,2]=4 418 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|0,0,2]=4 422 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|0,0,0]=2 428 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|0,0,0]=2 436 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,1]=3 437 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,0]=2 438 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|0,0,2]=4 465 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|0,0,0]=2 466 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CBr PI-28865 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.2 C1=CC(=C(C(=C1)Cl)F)NN PI-10632 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr PI-28061 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.2 C1=CC(=C(C(=C1)F)F)CN PI-21148 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.2 C1=CC(=C(C(=C1)F)F)CO PI-21147 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.2 CC1=C(C(=CC=C1)CBr)F PI-23752 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.2 COc1cccc(O)c1Br PI-34766 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.2 COc1cccc(c1N)O PI-38206 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.2 FC1=C(Cl)C(CBr)=CC=C1 PI-39696 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.2 N#Cc1cccc(c1C)F PI-28230 [1,1,0,0,0,0|0,0,2]=4 502 B10R1.2 NCC1=CC=CC(F)=C1Br PI-46659 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.2 NCc1cccc(Cl)c1F PI-20073 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.2 NNC1=CC=CC(Cl)=C1Cl PI-21067 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.20 C#Cc1ccccc1OC PI-30918 [1,1,0,0,0,0|0,0,2]=4 506 B10R1.20 C1=CC=C(C(=C1)CBr)CBr PI-19978 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.20 C1=CC=C(C(=C1)CCl)C#N PI-11826 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [1,1,0,0,0,0|0,0,1]=3 510 B10R1.20 CCC1=CC=CC=C1NN PI-12293 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.20 CCC1=CC=CC=C1NN PI-50566 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.20 CCC1=NC=CN=C1CC PI-11049 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.20 CCC1=NC=CN=C1OC PI-11043 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.20 CCC1=NC=CN=C1SC PI-11923 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.20 CCc1ccccc1CC PI-38722 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.20 COC1=CC=CC=C1CN PI-31715 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.20 COC1=CC=CC=C1NN PI-29852 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.20 COC1=CC=CC=C1NN PI-50513 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.20 COC1=CC=CC=C1SC PI-11860 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.20 COc1ccccc1CCl PI-34182 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.20 COc1ncccc1OC PI-16034 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.20 N#Cc1ccccc1CBr PI-12730 [1,1,0,0,0,0|0,0,2]=4 524 B10R1.20 N#Cc1ccccc1CN PI-38828 [1,1,0,0,0,0|0,0,1]=3 525 B10R1.20 N#Cc1ccccc1CO PI-38221 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.20 N#Cc1ccccc1OC PI-11857 [1,1,0,0,0,0|0,0,2]=4 527 B10R1.25 BrCc1ccc(cc1F)F PI-28304 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.25 C1=CC(=C(C=C1Br)F)CBr PI-11844 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.25 C1=CC(=C(C=C1Br)F)CO PI-14434 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl PI-33404 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-11745 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-34158 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.25 C1=CC(=C(C=C1Cl)F)NN PI-50547 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.25 C1=CC(=C(C=C1F)Br)CBr PI-28684 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr PI-20076 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.25 C1=CC(=C(C=C1F)Cl)NN PI-50545 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.25 C1=CC(=C(C=C1F)F)NN PI-31217 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.25 C1=CC(=C(C=C1F)I)CBr PI-33648 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.25 CC1=C(C=CC(=C1)Br)C#N PI-22131 [1,1,0,0,0,0|0,0,2]=4 545 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [1,1,0,0,0,0|0,0,2]=4 549 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [1,1,0,0,0,0|0,0,2]=4 551 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.25 ClCc1ccc(cc1Cl)F PI-20080 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|0,0,0]=2 583 B10R1.25 NCc1ccc(cc1F)F PI-28783 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.25 NNc1ccc(cc1F)F PI-31187 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 OCc1ccc(F)cc1F PI-28645 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.25 OCc1ccc(cc1Br)F PI-39278 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.25 SCc1ccc(Br)cc1F PI-21443 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.30 BrCc1cc(Cl)ccc1Cl PI-38192 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.30 BrCc1cc(Cl)ccc1F PI-20079 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl PI-27419 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.30 C1=CC(=C(C=C1F)CBr)Br PI-14438 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl PI-34130 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.30 C1=CC(=C(C=C1F)CBr)F PI-13390 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.30 C1=CC(=C(C=C1F)NN)Cl PI-50546 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-10633 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-21223 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.30 CC1=C(C=C(C=C1)F)C#N PI-28817 [1,1,0,0,0,0|0,0,2]=4 618 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [1,1,0,0,0,0|0,0,2]=4 623 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.30 COc1cc(Br)ccc1F PI-34341 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,1,0,0,0,0|1,0,1]=4 649 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|0,0,1]=3 662 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.61 FC(F)c1ccccc1Br PI-21634 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.61 OB(c1ccccc1C)O PI-10305 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.245 BrCc1c(F)cccc1Cl PI-20077 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.245 BrCc1c(F)cccc1F PI-13392 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.245 C1=CC(=C(C(=C1)Br)CBr)Cl PI-20621 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)Cl PI-34227 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)F PI-33406 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)Cl PI-32223 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)F PI-28646 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.245 C1=CC(=C(C(=C1)Cl)NN)Cl PI-29641 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.245 C1=CC(=C(C(=C1)F)CN)F PI-31271 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.245 C1=CC(=C(C(=C1)F)CN)N PI-15923 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.245 C1=CC(=C(C(=C1)F)CO)F PI-28243 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.245 CC1=C(C(=CC=C1)C)C#N PI-29833 [1,1,0,0,0,0|0,0,2]=4 683 B10R1.245 CC1=C(C(=CC=C1)C)C=O PI-27082 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.245 CC1=C(C(=CC=C1)C)NN PI-50511 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.245 CC1=C(C(=O)C=CN1)OC PI-40244 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.245 COC1=C(C=CC=C1Br)F PI-10731 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.245 COC1=C(C=CC=C1I)F PI-10732 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.245 COC1=C(Cl)C=CC=C1Cl PI-42640 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.245 COc1c(Br)cccc1Br PI-36881 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.245 COc1c(F)cccc1F PI-28529 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.245 COc1c(N)cccc1F PI-34516 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.245 COc1c(O)ccnc1C PI-38274 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.245 ClCc1c(C)cccc1C PI-23826 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.245 ClCc1c(F)cccc1F PI-21149 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.245 N#Cc1c(C)cccc1F PI-34464 [1,1,0,0,0,0|0,0,2]=4 699 B10R1.245 N#Cc1c(C)cccc1N PI-30717 [1,1,0,0,0,0|0,0,2]=4 700 B10R1.245 NCc1c(C)cccc1C PI-39516 [1,1,0,0,0,0|0,0,0]=2 701 B10R1.245 NCc1c(Cl)cccc1Cl PI-11763 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.245 NCc1c(F)cccc1Cl PI-20072 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.245 NNc1c(F)cccc1F PI-10482 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.245 NNc1c(F)cccc1F PI-10634 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.245 SCc1c(F)cccc1Cl PI-20085 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.29 CC1=NC=CN1CCCN PI-45230 [0,1,0,0,1,0|2,0,0]=4 707 B12R1.24 CC1=C(C=CC=C1Br)C(=O)NN PI-50522 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.224 Cc1c(CC(=O)O)cccc1C PI-13241 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-11318 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-28739 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.69 OCCSc1ccc(C)cc1C PI-23963 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.121 BrCCOc1ccccc1CC PI-13475 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.121 C1=CC=C(C(=C1)C=O)OCCO PI-27349 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.121 COC1=CC=CC=C1OCCN PI-16392 [0,2,0,0,0,0|0,0,0]=2 715 B12R1.121 NCCOc1ccccc1OC PI-16391 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [0,2,0,0,0,0|1,0,1]=4 724 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.371 CC1=CC=CC=C1NC(=S)NN PI-29766 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.374 Cc1ccc(C)cc1SCCO PI-23964 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.1631 OCCSc1c(C)cccc1C PI-23965 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.75 C1=CC=C(C(=C1)CBr)OC(F)F PI-21189 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CCl PI-19992 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CN PI-30676 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.75 CC(N)CC1=CC=CC=C1OC PI-46622 [0,2,0,0,0,0|0,0,0]=2 735 B12R1.75 COc1ccccc1CC(=O)O PI-37988 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.75 NCc1ccccc1CC(=O)O PI-30588 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.77 BrCC(=O)c1ccccc1OC PI-21566 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.77 COC1=CC=CC=C1C(=O)CO PI-30335 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.77 N#CC(N)c1ccccc1OC PI-36098 [0,2,0,0,0,0|0,0,2]=4 741 B12R1.169 CCCC1=CC=CC=C1N=C=O PI-11413 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [0,2,0,0,0,0|0,0,0]=2 743 B12R1.283 B(C1=CC=CC=C1CCBr)(O)O PI-19945 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.283 C1=CC=C(C(=C1)CCO)[N+](=O)[O-] PI-48544 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.283 CCOC1=CC=CC=C1C(=O)C PI-22025 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.283 NNCc1ccccc1N(C)C PI-23375 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.233 CC1=CC(=C(C=C1)NC(=S)N)C PI-23969 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.1095 CC1=CC(=C(C(=C1)C)CC#N)C PI-29499 [0,2,0,0,0,0|0,0,2]=4 750 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|1,0,1]=4 751 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(CCl)O PI-42326 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O PI-49808 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.1703 C1=CC(=C(C=C1F)F)[C@@H](CCl)O PI-49821 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.1703 ClC1=CC=C([C@H](O)CCl)C(Cl)=C1 PI-42331 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.127 CC1=C(C=C(C=C1)F)NC(=S)N PI-29189 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,2,0,0,0,0|1,0,1]=4 759 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.127 Cc1ccc(C)cc1NC(=S)N PI-23971 [0,2,0,0,0,0|1,0,1]=4 761 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.151 CC1=CC=CC=C1SC(F)(F)F PI-19200 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.151 Cc1ccccc1CS(=O)(=O)Cl PI-24918 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=N)N)Cl PI-21062 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.1009 NC(=S)Nc1c(C)cccc1C PI-23970 [0,2,0,0,0,0|1,0,1]=4 766 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,0]=3 767 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,0]=3 768 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,0]=3 769 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 770 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|0,0,2]=4 771 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|2,0,0]=4 772 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|0,0,0]=2 773 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 774 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|1,0,1]=4 775 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 776 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,1]=4 777 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 778 B12R2.82 CC1=C(C=CC2=C1CNC2)Br PI-48340 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,1,0,1,0,0|1,0,1]=4 780 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,1,0,1,0,0|1,0,1]=4 781 B12R2.202 Nc1sc2c(n1)c(C)ccc2 PI-11118 [0,1,0,1,0,0|1,0,1]=4 782 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.1081 C1CC(C2=C(C1)C=CN=C2)N PI-48339 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,1,0,1,0,0|1,0,0]=3 785 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,1,0,1,0,0|1,0,0]=3 786 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44889 [0,1,0,1,0,0|1,0,0]=3 787 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44914 [0,1,0,1,0,0|1,0,0]=3 788 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|1,0,1]=4 789 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|0,0,1]=3 790 B12R2.1081 C1COC2=C(N1)C=CC=C2O PI-36585 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.1081 CC1=C2C(=CC=C1)CCCN2 PI-29657 [0,1,0,1,0,0|1,0,0]=3 792 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,1,0,1,0,0|1,0,0]=3 793 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,1,0,1,0,0|1,0,0]=3 796 B12R2.1081 Nc1cccc2c1CCNC2 PI-17677 [0,1,0,1,0,0|0,0,0]=2 797 B12R2.1081 Nc1cccc2c1OCCO2 PI-34758 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,1,0,1,0,0|0,0,0]=2 803 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,1,0,1,0,0|1,0,0]=3 804 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,1,0,1,0,0|0,0,0]=2 805 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,1,0,1,0,0|0,0,0]=2 806 B12R2.24 C1CN=CC2=C1C=CC(=C2)Cl PI-41043 [0,1,0,1,0,0|0,0,2]=4 807 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [0,1,0,1,0,0|0,0,0]=2 808 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|2,0,0]=4 809 B12R2.24 CC1=NC2=C(CCCC2)C=C1 PI-11111 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [0,1,0,1,0,0|0,0,0]=2 812 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [0,1,0,1,0,0|0,0,0]=2 813 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [0,1,0,1,0,0|0,0,0]=2 814 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [0,1,0,1,0,0|0,0,0]=2 815 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [0,1,0,1,0,0|0,0,0]=2 816 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,1,0,1,0,0|2,0,0]=4 819 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,1,0,1,0,0|1,0,1]=4 820 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CN PI-45223 [0,1,0,1,0,0|1,0,1]=4 823 B12R2.32 C1C(=NO)CC2=CC=CC=C21 PI-13702 [0,1,0,1,0,0|0,0,2]=4 824 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,1,0,1,0,0|0,0,0]=2 826 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,1,0,1,0,0|0,0,2]=4 827 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|1,0,0]=3 832 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|0,0,2]=4 834 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|1,0,1]=4 835 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,1,0,1,0,0|1,0,1]=4 839 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,1,0,1,0,0|1,0,0]=3 841 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,1,0,1,0,0|1,0,0]=3 842 B12R2.315 C1=CC(=C2C=CNC2=C1)CO PI-25038 [0,1,0,1,0,0|0,0,2]=4 843 B12R2.315 C1COC2=C1C=CC=C2CO PI-19152 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.315 C1COC2=CC=CC(=C21)C=O PI-41060 [0,1,0,1,0,0|1,0,1]=4 845 B12R2.315 C=CC1=C2CCOC2=CC=C1 PI-42311 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.315 COC1=CC=CC2=C1C=CN2 PI-16821 [0,1,0,1,0,0|0,0,2]=4 847 B12R2.315 COC1=CC=CC2=C1NCC2 PI-35812 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.246 Clc1cc(C)c2nc[nH]c2c1 PI-36369 [0,1,0,1,0,0|1,0,1]=4 849 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br PI-32762 [0,1,0,1,0,0|1,0,1]=4 850 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)F PI-32760 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.606 C1C(CC2=C1C=CC(=C2)Br)O PI-42084 [0,1,0,1,0,0|1,0,0]=3 852 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 PI-42264 [0,1,0,1,0,0|0,0,0]=2 853 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 PI-32761 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,0,0,0,1,0|2,0,0]=4 856 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|1,0,0]=3 857 B8R1.8 NCCc1nc[nH]c1 PI-27712 [1,0,0,0,1,0|2,0,0]=4 858 B8R1.8 NCCn1cncc1 PI-36110 [1,0,0,0,1,0|2,0,0]=4 859 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|2,0,0]=4 860 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|2,0,0]=4 861 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [1,0,0,0,1,0|2,0,0]=4 862 B8R1.11 CC1=C(C=CO1)SC PI-14230 [1,0,0,0,1,0|2,0,0]=4 863 B8R1.11 CCC1=CC=CN1N PI-40301 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.11 CN1N=CC=C1CC PI-39594 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.11 NCC1=CC=NN1C PI-40532 [1,0,0,0,1,0|2,0,0]=4 866 B8R1.11 NCc1nccn1C PI-38209 [1,0,0,0,1,0|2,0,0]=4