0 B16R3.9 C1=CC2=CC=CNC2=C3NC=CC=C31 Amb20660522 [0,0,0,0,0,0|0,0,2]=2 1 B16R3.9 C1C=COc2ccc3ccccc3c21 Amb24729990 [0,0,0,0,0,0|3,0,0]=3 2 B16R3.9 C1C=Cc2c3ccccc3ccc2O1 Amb23441463 [0,0,0,0,0,0|3,0,1]=4 3 B16R3.9 C1C=Cc2ccc3ccccc3c2O1 Amb23441464 [0,0,0,0,0,0|2,0,1]=3 4 B16R3.9 C1CC=Cc2c3ccccc3ccc21 Amb24513593 [0,0,0,0,0,0|2,0,2]=4 5 B16R3.9 C1Cc2ccccc2-c3[n]c[n]cc31 Amb23401185 [0,0,0,0,0,0|2,0,2]=4 6 B16R3.9 C1Cc2ccccc2-c3ccccc13 Amb17672017 [0,0,0,0,0,0|2,0,2]=4 7 B16R3.9 C1Nc2ccc[n]c2-c3ccccc31 Amb25164406 [0,0,0,0,0,0|2,0,1]=3 8 B16R3.9 C1Oc2c3ccccc3ccc2C=[O+]1 Amb22485670 [0,0,0,0,0,0|3,0,1]=4 9 B16R3.9 C=1NC=CC2c3ccccc3C=CC21 Amb24726055 [0,0,0,0,0,0|3,0,1]=4 10 B16R3.9 N1C=CC=c2ccc3=CC=CNc3c12 Amb17912994 [0,0,0,0,0,0|0,0,2]=2 11 B16R3.9 [13cH]1[13cH][13cH][13c]2[13c]([13cH]1)[13c]3[13cH][13cH][13cH][13cH][13c]3[13cH][13cH]2 Amb17619231 [0,0,0,0,0,0|2,0,0]=2 12 B16R3.9 c1[14cH]c2ccccc2c3ccccc31 Amb22350229 [0,0,0,0,0,0|2,0,0]=2 13 B16R3.9 c1[n][n]c2c(c[n]c3ccccc32)[n]1 Amb22734776 [0,0,0,0,0,0|4,0,0]=4 14 B16R3.9 c1[n]c2[n]cccc2c3ccccc31 Amb24513591 [0,0,0,0,0,0|4,0,0]=4 15 B16R3.9 c1[n]c2ccccc2c3[n]cccc31 Amb23554924 [0,0,0,0,0,0|2,0,0]=2 16 B16R3.9 c1[n]ccc2c3[n]cc[n]c3ccc21 Amb24763772 [0,0,0,0,0,0|3,0,0]=3 17 B16R3.9 c1[n]ccc2c3[n]cccc3ccc21 Amb24678273 [0,0,0,0,0,0|2,0,0]=2 18 B16R3.9 c1[n]ccc2c3ccc[n]c3ccc21 Amb24740306 [0,0,0,0,0,0|4,0,0]=4 19 B16R3.9 c1[n]ccc2ccc3[n]cc[n]c3c21 Amb25727318 [0,0,0,0,0,0|3,0,0]=3 20 B16R3.9 c1[n]ccc2ccc3[n]cccc3c21 Amb24563549 [0,0,0,0,0,0|4,0,0]=4 21 B16R3.9 c1[n]ccc2ccc3ccccc3c21 Amb24655822 [0,0,0,0,0,0|3,0,0]=3 22 B16R3.9 c1c[n]c2c([n][n]c3ccccc32)[n]1 Amb25692585 [0,0,0,0,0,0|4,0,0]=4 23 B16R3.9 c1cc2ccc[nH+]c2c3[n]cccc31 Amb20661604 [0,0,0,0,0,0|0,0,1]=1 24 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb17933635 [0,0,0,0,0,0|0,0,0]=0 25 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22057283 [0,0,0,0,0,0|0,0,0]=0 26 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22336341 [0,0,0,0,0,0|0,0,0]=0 27 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22338222 [0,0,0,0,0,0|0,0,0]=0 28 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22338418 [0,0,0,0,0,0|0,0,0]=0 29 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22351448 [0,0,0,0,0,0|0,0,0]=0 30 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22353345 [0,0,0,0,0,0|0,0,0]=0 31 B16R3.9 c1cc2ccc[n]c2c3[n]cccc31 Amb22730733 [0,0,0,0,0,0|0,0,0]=0 32 B16R3.9 c1cc[n]c2c3[n]cccc3[n][n]c21 Amb25336338 [0,0,0,0,0,0|2,0,0]=2 33 B16R3.9 c1ccc2c([nH]1)c3[nH]cccc3cc2 Amb1199967 [0,0,0,0,0,0|0,0,2]=2 34 B16R3.9 c1ccc2c(c1)[13c]3[13cH][13cH][13cH][13cH][13c]3cc2 Amb17619230 [0,0,0,0,0,0|2,0,0]=2 35 B16R3.9 c1ccc2c(c1)c3ccccc3[13cH][13cH]2 Amb17619232 [0,0,0,0,0,0|2,0,0]=2 36 B16R3.9 c1ccc2c(n1)c3ncccc3cc2 Amb1196120 [0,0,0,0,0,0|0,0,0]=0 37 B16R3.9 c1ccc2c(n1)c3ncccc3cc2 Amb2384019 [0,0,0,0,0,0|0,0,0]=0 38 B16R3.9 c1ccc2c(n1)c3ncccc3cc2 Amb2384020 [0,0,0,0,0,0|0,0,0]=0 39 B16R3.9 c1ccc2c(n1)c3ncccc3cc2 Amb2384024 [0,0,0,0,0,0|0,0,0]=0 40 B16R3.9 c1ccc2c(n1)ccc3c2nccn3 Amb1079108 [0,0,0,0,0,0|3,0,0]=3 41 B16R3.9 c1cccc-2c1OPc3ccccc23 Amb25309398 [0,0,0,0,0,0|4,0,0]=4 42 B16R3.9 c1cnc2c(c1)c3cccnc3cc2 Amb1279990 [0,0,0,0,0,0|4,0,0]=4 43 B16R3.9 c1cnc2c(c1)ccc3c2[nH+]ccc3 Amb14805 [0,0,0,0,0,0|0,0,1]=1 44 B16R3.9 c1cnc2c(c1)ccc3c2[nH+]ccc3 Amb15740464 [0,0,0,0,0,0|0,0,1]=1 45 B16R3.9 c1cnc2c(c1)ccc3cccnc23 Amb17872165 [0,0,0,0,0,0|0,0,0]=0 46 B16R3.9 c1cnc2c(n1)c3nccnc3cc2 Amb10807497 [0,0,0,0,0,0|2,0,0]=2 47 B17R3.31 Brc1cc2ccc3ccc[n]c3c2[n]c1 Amb20620592 [0,1,0,0,0,0|0,0,0]=1 48 B17R3.31 Brc1ccc2c(c1)ccc3c2cccc3 Amb15692739 [0,1,0,0,0,0|2,0,0]=3 49 B17R3.31 Clc1cc2ccc3ccccc3c2[n][n]1 Amb20673068 [0,1,0,0,0,0|2,0,0]=3 50 B17R3.31 Clc1ccc2c(c1)ccc3c2cccc3 Amb15692736 [0,1,0,0,0,0|2,0,0]=3 51 B17R3.31 Ic1cc2ccc3ccccc3c2cc1 Amb21964754 [0,1,0,0,0,0|2,0,0]=3 52 B17R3.31 Nc1cc2[n]cc3ccccc3c2cc1 Amb24062186 [0,1,0,0,0,0|3,0,0]=4 53 B17R3.31 O=c1ccc2c3ccccc3ccc2o1 Amb24061954 [0,1,0,0,0,0|3,0,0]=4 54 B17R3.31 Oc1ccc2c(c1)ccc3c2cccc3 Amb15692738 [0,1,0,0,0,0|2,0,0]=3 55 B17R3.4465 Brc1cc[n]c2c3[n]cccc3ccc21 Amb24059677 [0,1,0,0,0,0|0,0,0]=1 56 B17R3.4465 C[n+]1cccc2c1ccc3c2nccc3 Amb10554499 [0,1,0,0,0,0|2,0,0]=3 57 B17R3.4465 Clc1[n]c[n]c2c3ccccc3ccc21 Amb24346214 [0,1,0,0,0,0|2,0,0]=3 58 B17R3.4465 Clc1[n]ccc2c3ccccc3ccc21 Amb22337049 [0,1,0,0,0,0|3,0,0]=4 59 B17R3.4465 Clc1cc[n]c2c3[n]cccc3ccc21 Amb22495608 [0,1,0,0,0,0|0,0,0]=1 60 B17R3.4465 Nc1cc[n]c2c3ccccc3ccc21 Amb19080023 [0,1,0,0,0,0|1,0,0]=2 61 B17R3.4465 O=c1[nH]ccc2c3ccccc3ccc21 Amb24074068 [0,1,0,0,0,0|3,0,0]=4 62 B17R3.4465 Oc1cccc2c1ccc3c2cccc3 Amb17619233 [0,1,0,0,0,0|2,0,0]=3 63 B17R3.4465 Oc1ccnc2c1ccc3c2nccc3 Amb10554102 [0,1,0,0,0,0|0,0,0]=1 64 B17R3.4465 [O-][n+]1cccc2c1ccc3c2cccc3 Amb2389831 [0,1,0,0,0,0|3,0,0]=4 65 B17R3.18998 Brc1cc2c3ccccc3ccc2[n]c1 Amb24065425 [0,1,0,0,0,0|3,0,0]=4 66 B17R3.18998 Brc1ccc2c(c1)c3ccccc3cc2 Amb13799001 [0,1,0,0,0,0|2,0,0]=3 67 B17R3.18998 Brc1ccc2c(n1)c3ncccc3cc2 Amb10602003 [0,1,0,0,0,0|0,0,0]=1 68 B17R3.18998 Cc1c[n]c2ccc3ccccc3[n+]2[n]1 Amb22432661 [0,1,0,0,0,0|3,0,0]=4 69 B17R3.18998 Cc1ccc2c(n1)c3ncccc3cc2 Amb2503786 [0,1,0,0,0,0|0,0,0]=1 70 B17R3.18998 Cc1ccc2ccc3ccccc3c2c1 Amb17673342 [0,1,0,0,0,0|2,0,0]=3 71 B17R3.18998 Clc1cc2c3ccccc3ccc2cc1 Amb21964024 [0,1,0,0,0,0|2,0,0]=3 72 B17R3.18998 Clc1ccc2ccc3ccccc3c2[n]1 Amb25081677 [0,1,0,0,0,0|1,0,0]=2 73 B17R3.18998 Fc1cc2c3ccccc3ccc2cc1 Amb22739738 [0,1,0,0,0,0|2,0,0]=3 74 B17R3.18998 Ic1cc2c3ccccc3ccc2cc1 Amb21964027 [0,1,0,0,0,0|2,0,0]=3 75 B17R3.18998 Nc1cc2c3ccccc3ccc2[n]c1 Amb24081117 [0,1,0,0,0,0|3,0,0]=4 76 B17R3.18998 Oc1ccc2c(c1)c3ccccc3cc2 Amb17619234 [0,1,0,0,0,0|2,0,0]=3 77 B17R3.50084 C[n+]1cccc2ccc3ccccc3c12 Amb23453337 [0,1,0,0,0,0|1,0,1]=3 78 B17R3.50084 C[n+]1cccc2ccc3ccccc3c12 Amb24121508 [0,1,0,0,0,0|1,0,1]=3 79 B17R3.50084 Cc1cccc2ccc3ccccc3c21 Amb22229852 [0,1,0,0,0,0|2,0,0]=3 80 B17R3.50084 O=C1C=COc2ccc3ccccc3c21 Amb18048606 [0,1,0,0,0,0|3,0,0]=4 81 B17R3.50084 O=C1C=CSc2ccc3ccccc3c21 Amb19202025 [0,1,0,0,0,0|3,0,0]=4 82 B17R3.50084 Oc1cccc2c1c3ccccc3cc2 Amb17619236 [0,1,0,0,0,0|2,0,0]=3 83 B17R3.54615 Brc1cc2ccc[n]c2c3[n]cccc31 Amb20620593 [0,1,0,0,0,0|0,0,0]=1 84 B17R3.54615 Cc1cc2cccnc2c3c1cccn3 Amb10603842 [0,1,0,0,0,0|0,0,0]=1 85 B17R3.54615 Nc1cc2ccc[n]c2c3[n]cccc31 Amb20621970 [0,1,0,0,0,0|0,0,0]=1 86 B17R3.54615 Nc1cc2ccccc2c3ccccc31 Amb22230195 [0,1,0,0,0,0|2,0,0]=3 87 B17R3.54615 O=C1N=C2C=CC=CN2c3[n]cccc31 Amb22488474 [0,1,0,0,0,0|3,0,0]=4 88 B17R3.54615 O=C1Nc2cccc[n+]2-c3[n]cccc31 Amb19906650 [0,1,0,0,0,0|3,0,0]=4 89 B17R3.54615 O=C1Nc2ccccc2-c3[n]c[n]cc31 Amb24119510 [0,1,0,0,0,0|3,0,0]=4 90 B17R3.54615 O=C1Nc2ccccc2-c3[n]cccc31 Amb22478454 [0,1,0,0,0,0|2,0,0]=3 91 B17R3.54615 O=C1Nc2ccccc2-c3ccccc31 Amb19063347 [0,1,0,0,0,0|3,0,0]=4 92 B17R3.54615 O=C1Oc2ccccc2-c3[n]cc[n]c31 Amb19519854 [0,1,0,0,0,0|3,0,0]=4 93 B17R3.54615 O=C1Oc2ccccc2-c3ccccc31 Amb19766528 [0,1,0,0,0,0|3,0,0]=4 94 B17R3.54615 Oc1cc2ccccc2c3ccccc13 Amb17689153 [0,1,0,0,0,0|2,0,0]=3 95 B17R3.54615 Oc1nc2ccccc2c3c1cccc3 Amb2575373 [0,1,0,0,0,0|3,0,0]=4 96 B17R3.54615 S=C1Nc2ccccc2-c3ccccc31 Amb21933605 [0,1,0,0,0,0|3,0,0]=4 97 B17R3.54615 Sc1nc2ccccc2c3c1cccc3 Amb2575376 [0,1,0,0,0,0|3,0,0]=4 98 B17R3.54615 [O-][n+]1cc2ccccc2c3ccccc13 Amb22468221 [0,1,0,0,0,0|3,0,0]=4 99 B15R2.21 C=Cc1ccccc1-c2[n]ccc[n]2 Amb24617567 [0,0,1,0,0,0|2,0,0]=3 100 B15R2.21 COc1ccc[n]c1-c2cccc[n]2 Amb24363707 [0,0,1,0,0,0|1,0,1]=3 101 B15R2.21 CSc1ccccc1-c2cccc[n]2 Amb24403284 [0,0,1,0,0,0|2,0,1]=4 102 B15R2.21 ClCc1ccc[n]c1-c2ccccc2 Amb24424522 [0,0,1,0,0,0|2,0,1]=4 103 B15R2.21 N#Cc1ccc[n]c1-c2cccc[n]2 Amb24687894 [0,0,1,0,0,0|1,0,1]=3 104 B15R2.21 NCc1c[n]c[n]c1-c2cccc[n]2 Amb25071428 [0,0,1,0,0,0|2,0,1]=4 105 B15R2.21 NCc1ccc[n]c1-c2ccccc2 Amb18909392 [0,0,1,0,0,0|2,0,1]=4 106 B15R2.21 NCc1ccccc1-c2cccc[n]2 Amb18909391 [0,0,1,0,0,0|2,0,1]=4 107 B15R2.21 NNc1[n]cc[n]c1-c2cccc[n]2 Amb24337141 [0,0,1,0,0,0|3,0,0]=4 108 B15R2.21 O=Cc1[n]cc[n]c1-c2ccccc2 Amb23598753 [0,0,1,0,0,0|3,0,0]=4 109 B15R2.21 O=Cc1[n]cccc1-c2cccc[n]2 Amb23402760 [0,0,1,0,0,0|3,0,0]=4 110 B15R2.21 O=Cc1c[n]c[n]c1-c2ccccc2 Amb25355329 [0,0,1,0,0,0|3,0,0]=4 111 B15R2.21 O=Cc1ccc[n]c1-c2c[n]ccc2 Amb18822970 [0,0,1,0,0,0|3,0,0]=4 112 B15R2.21 O=Cc1ccc[n]c1-c2cc[n]cc2 Amb18822971 [0,0,1,0,0,0|3,0,0]=4 113 B15R2.21 O=Cc1ccc[n]c1-c2ccccc2 Amb18129228 [0,0,1,0,0,0|2,0,0]=3 114 B15R2.21 O=Cc1ccccc1-c2c[n]cc[n]2 Amb24757267 [0,0,1,0,0,0|3,0,0]=4 115 B15R2.21 OCc1ccc[n]c1-c2ccccc2 Amb24415374 [0,0,1,0,0,0|2,0,1]=4 116 B15R2.21 OCc1ccccc1-c2cccc[n]2 Amb25299164 [0,0,1,0,0,0|2,0,1]=4 117 B15R2.352 BrC\C=C\c1cc2ccccc2cc1 Amb25193475 [0,0,1,0,0,0|2,0,1]=4 118 B15R2.352 NC\C=C\c1cc2ccccc2cc1 Amb25075783 [0,0,1,0,0,0|1,0,2]=4 119 B15R2.352 O=CC#Cc1cc2[n]cccc2cc1 Amb24679233 [0,0,1,0,0,0|1,0,2]=4 120 B15R2.352 O=CCCc1cc2[n]cccc2cc1 Amb25738385 [0,0,1,0,0,0|1,0,2]=4 121 B15R2.352 O=CNNc1cc2[n]cccc2cc1 Amb22448886 [0,0,1,0,0,0|3,0,0]=4 122 B15R2.352 O=C\C=C/c1cc2ccccc2cc1 Amb24686371 [0,0,1,0,0,0|2,0,0]=3 123 B15R2.352 O=C\C=C\c1cc2[n]cc[n]c2cc1 Amb25238885 [0,0,1,0,0,0|2,0,0]=3 124 B15R2.352 O=C\C=C\c1cc2[n]cccc2cc1 Amb24679232 [0,0,1,0,0,0|1,0,0]=2 125 B15R2.352 O=C\C=C\c1cc2ccccc2[n]c1 Amb24419768 [0,0,1,0,0,0|3,0,0]=4 126 B15R2.352 OC\C=C\c1cc2ccccc2cc1 Amb24498552 [0,0,1,0,0,0|2,0,1]=4 127 B15R2.555 Brc1ccc[n]c1-c2[n]cccc2Br Amb22752446 [0,0,1,0,0,0|2,0,0]=3 128 B15R2.555 Brc1ccc[n]c1-c2ccccc2Br Amb24320840 [0,0,1,0,0,0|3,0,0]=4 129 B15R2.555 Cc1ccc[n]c1-c2[n]cccc2C Amb17933245 [0,0,1,0,0,0|0,0,2]=3 130 B15R2.555 Cc1ccc[n]c1-c2ccccc2Br Amb24388524 [0,0,1,0,0,0|2,0,1]=4 131 B15R2.555 Cc1ccc[n]c1-c2ccccc2O Amb25331602 [0,0,1,0,0,0|2,0,1]=4 132 B15R2.555 Cc1ccccc1-c2[n]cccc2Br Amb24320701 [0,0,1,0,0,0|2,0,1]=4 133 B15R2.555 Cc1ccccc1-c2[n]cccc2O Amb24320702 [0,0,1,0,0,0|2,0,1]=4 134 B15R2.555 Clc1ccc[n]c1-c2[n]cccc2Cl Amb25819736 [0,0,1,0,0,0|2,0,0]=3 135 B15R2.555 Clc1ccccc1-c2[n]cccc2Br Amb24320733 [0,0,1,0,0,0|3,0,0]=4 136 B15R2.555 Fc1ccccc1-c2[n]cccc2Br Amb24320707 [0,0,1,0,0,0|3,0,0]=4 137 B15R2.555 Fc1ccccc1-c2[n]cccc2Cl Amb25696456 [0,0,1,0,0,0|3,0,0]=4 138 B15R2.555 Fc1ccccc1-c2[n]cccc2I Amb25073446 [0,0,1,0,0,0|3,0,0]=4 139 B15R2.555 NC/1=CC=CN\C1=C/2\N=CC=CC2=N Amb24692960 [0,0,1,0,0,0|2,0,1]=4 140 B15R2.555 Nc1ccc[n]c1-c2[n]cccc2Cl Amb24757640 [0,0,1,0,0,0|2,0,0]=3 141 B15R2.555 Nc1ccc[n]c1-c2[n]cccc2O Amb18649552 [0,0,1,0,0,0|2,0,0]=3 142 B15R2.555 Nc1ccc[n]c1-c2ccccc2Br Amb24320842 [0,0,1,0,0,0|3,0,0]=4 143 B15R2.555 Nc1ccc[n]c1-c2ccccc2Cl Amb18567172 [0,0,1,0,0,0|3,0,0]=4 144 B15R2.555 Nc1ccc[n]c1-c2ccccc2F Amb18191097 [0,0,1,0,0,0|3,0,0]=4 145 B15R2.555 Nc1ccc[n]c1-c2ccccc2N Amb24320728 [0,0,1,0,0,0|3,0,0]=4 146 B15R2.555 Nc1ccccc1-c2[n]cccc2Br Amb24320726 [0,0,1,0,0,0|3,0,0]=4 147 B15R2.555 Nc1ccccc1-c2[n]cccc2F Amb25855441 [0,0,1,0,0,0|3,0,0]=4 148 B15R2.555 OC/1=CC=CN\C1=C/2\N=CC=CC2=O Amb24382060 [0,0,1,0,0,0|2,0,1]=4 149 B15R2.555 Oc1ccc[n]c1-c2ccccc2Cl Amb24728231 [0,0,1,0,0,0|3,0,0]=4 150 B15R2.555 Oc1ccc[n]c1-c2ccccc2F Amb24320708 [0,0,1,0,0,0|3,0,0]=4 151 B15R2.2115 C=Cc1c(C=O)ccc2ccccc21 Amb25350485 [0,0,1,0,0,0|3,0,0]=4 152 B15R2.2115 C=Cc1c2[n]cccc2ccc1C#N Amb25224092 [0,0,1,0,0,0|2,0,1]=4 153 B15R2.2115 C=Cc1ccc2ccccc2c1C=O Amb25758735 [0,0,1,0,0,0|3,0,0]=4 154 B15R2.2115 COc1c(C=O)ccc2ccc[n]c21 Amb25735377 [0,0,1,0,0,0|2,0,1]=4 155 B15R2.2195 C(Nc1c[n]c[n]c1)c2c[n]ccc2 Amb18933247 [0,0,1,0,0,0|2,0,1]=4 156 B15R2.2195 C(Nc1c[n]ccc1)c2c[n]c[n]c2 Amb18996446 [0,0,1,0,0,0|2,0,1]=4 157 B15R2.2195 C(Nc1c[n]ccc1)c2c[n]cc[n]2 Amb18996395 [0,0,1,0,0,0|2,0,1]=4 158 B15R2.2195 C(Nc1ccc[n][n]1)c2c[n]ccc2 Amb18298693 [0,0,1,0,0,0|2,0,1]=4 159 B15R2.2195 C(Nc1ccc[n]c1)c2ccccc2 Amb22586367 [0,0,1,0,0,0|2,0,1]=4 160 B15R2.2195 C(Oc1c[n]ccc1)c2c[n]ccc2 Amb25340715 [0,0,1,0,0,0|1,0,1]=3 161 B15R2.2195 C(Oc1ccc[n]c1)c2ccccc2 Amb21927728 [0,0,1,0,0,0|2,0,1]=4 162 B15R2.2195 c1[n][n]ccc1C=Cc2ccccc2 Amb24087513 [0,0,1,0,0,0|2,0,0]=3 163 B15R2.2195 c1[n]cc[n]c1\C=C\c2ccccc2 Amb25367244 [0,0,1,0,0,0|2,0,0]=3 164 B15R2.2195 c1[n]cccc1C=Cc2cccc[n]2 Amb24060084 [0,0,1,0,0,0|2,0,0]=3 165 B15R2.2195 c1[n]cccc1SSc2c[n]ccc2 Amb22002419 [0,0,1,0,0,0|2,0,0]=3 166 B15R2.2195 c1[n]cccc1\C=C/c2ccccc2 Amb24104475 [0,0,1,0,0,0|1,0,0]=2 167 B15R2.2195 c1ccc(cc1)CNc2cccnc2 Amb2383000 [0,0,1,0,0,0|2,0,1]=4 168 B15R2.2195 c1ccc(cc1)SCc2cccnc2 Amb10632429 [0,0,1,0,0,0|2,0,1]=4 169 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 Amb16192901 [0,0,1,0,0,0|2,0,0]=3 170 B15R2.2195 c1ccc(cc1)\C=C\c2ccncc2 Amb2226978 [0,0,1,0,0,0|3,0,0]=4 171 B15R2.2195 c1ccc(cn1)C#Cc2cccnc2 Amb16192298 [0,0,1,0,0,0|0,0,2]=3 172 B15R2.2195 c1ccccc1\C=C\[n+]2ccccc2 Amb22442720 [0,0,1,0,0,0|3,0,0]=4 173 B15R2.2195 c1ccccc1\C=C\c2ccc[n][n]2 Amb24589878 [0,0,1,0,0,0|2,0,0]=3 174 B15R2.2195 c1ccccc1\C=C\c2ccccc2 Amb18511865 [0,0,1,0,0,0|2,0,0]=3 175 B15R2.2220 C=CCc1ccc2ccccc2c1F Amb24371373 [0,0,1,0,0,0|2,0,1]=4 176 B15R2.2220 C=CCc1ccc2ccccc2c1N Amb18129276 [0,0,1,0,0,0|1,0,2]=4 177 B15R2.2220 C=CCc1ccc2ccccc2c1O Amb19068714 [0,0,1,0,0,0|2,0,1]=4 178 B15R2.2220 C=CNc1ccc2ccccc2c1N Amb25800260 [0,0,1,0,0,0|2,0,1]=4 179 B15R2.2220 C\C=C\c1ccc2ccc[n]c2c1N Amb25301260 [0,0,1,0,0,0|0,0,2]=3 180 B15R2.2220 C\C=C\c1ccc2ccc[n]c2c1O Amb18649108 [0,0,1,0,0,0|1,0,1]=3 181 B15R2.2220 Cc1c(CC=C)ccc2ccccc21 Amb24583363 [0,0,1,0,0,0|2,0,1]=4 182 B15R2.2220 Nc1c2[n]cccc2ccc1\C=N\O Amb25066706 [0,0,1,0,0,0|2,0,1]=4 183 B15R2.2220 Oc1c2[n]cccc2ccc1\C=N\O Amb24698906 [0,0,1,0,0,0|3,0,0]=4 184 B15R2.9941 C=CCc1c(N)ccc2ccccc21 Amb25765770 [0,0,1,0,0,0|3,0,0]=4 185 B15R2.9941 Cc1ccc2ccc[n]c2c1N=[N+]=[N-] Amb25765857 [0,0,1,0,0,0|2,0,1]=4 186 B15R2.9941 Cc1ccc2ccc[n]c2c1NC=O Amb25664138 [0,0,1,0,0,0|1,0,2]=4 187 B15R2.18471 C=CCNc1c[n]cc2ccc[n]c21 Amb23592846 [0,0,1,0,0,0|1,0,2]=4 188 B15R2.18471 C=CCNc1cccc2c1cccc2 Amb17306967 [0,0,1,0,0,0|1,0,2]=4 189 B15R2.18471 C\C=C\Sc1cccc2ccc[n]c21 Amb25178814 [0,0,1,0,0,0|1,0,1]=3 190 B15R2.18471 N\C=C\Nc1cccc2ccccc21 Amb24553058 [0,0,1,0,0,0|2,0,1]=4 191 B15R2.18471 O=CCOc1cccc2ccc[n]c21 Amb18329489 [0,0,1,0,0,0|2,0,1]=4 192 B15R2.18471 O=C\C=C\c1cccc2ccc[n]c21 Amb25322803 [0,0,1,0,0,0|2,0,0]=3 193 B15R2.18471 O=C\C=N/c1cccc2ccc[n]c12 Amb25373121 [0,0,1,0,0,0|1,0,0]=2 194 B15R3.3 C1c2[n]cccc2-c3[n]cccc31 Amb24620430 [0,0,0,0,1,0|2,0,1]=4 195 B15R3.3 c1[n]ccc2[nH]c3ccc[n]c3c21 Amb22171204 [0,0,0,0,1,0|3,0,0]=4 196 B15R3.3 c1[n]ccc2oc3ccc[n]c3c21 Amb24698983 [0,0,0,0,1,0|3,0,0]=4 197 B15R3.3 c1c[n]c2[nH]c3ccccc3c2[n]1 Amb22372202 [0,0,0,0,1,0|3,0,0]=4 198 B15R3.3 c1cc[n][n]2c3[n]cccc3[n]c21 Amb25073450 [0,0,0,0,1,0|2,0,0]=3 199 B15R3.3 c1cc[n]c2[s]c3ccc[n]c3c21 Amb24640455 [0,0,0,0,1,0|3,0,0]=4 200 B15R3.3 c1cc[n]c2c3[n]ccc[n]3[n]c21 Amb24433256 [0,0,0,0,1,0|2,0,0]=3 201 B15R3.3 c1ccc2[n]c3ccccc3[n]2[n]1 Amb24082002 [0,0,0,0,1,0|3,0,0]=4 202 B15R3.3 c1ccc2c(c1)C[13c]3[13c]2[13cH][13cH][13cH][13cH]3 Amb17614359 [0,0,0,0,1,0|2,0,1]=4 203 B15R3.3 c1ccc2c(c1)Cc3c2nccc3 Amb1056107 [0,0,0,0,1,0|1,0,1]=3 204 B15R3.3 c1ccc2c(c1)[nH]c3c2cccc3 Amb1014005 [0,0,0,0,1,0|3,0,0]=4 205 B15R3.3 c1cccc2:[I+]:c3ccccc3:c21 Amb20662691 [0,0,0,0,1,0|3,0,0]=4 206 B15R3.3 c1cccc2:[I+]:c3ccccc3:c21 Amb22731765 [0,0,0,0,1,0|3,0,0]=4 207 B15R3.3 c1cccc2:c3ccccc3:[I+]:c21 Amb22731734 [0,0,0,0,1,0|3,0,0]=4 208 B15R3.3 c1cccc2[14CH2]c3ccccc3-c21 Amb22731868 [0,0,0,0,1,0|2,0,1]=4 209 B15R3.3 c1cccc2[n-]c3ccccc3c21 Amb22732472 [0,0,0,0,1,0|3,0,0]=4 210 B15R3.3 c1cccc2[pH]c3ccccc3c21 Amb24496398 [0,0,0,0,1,0|3,0,0]=4 211 B15R3.1739 C1C=COc2c1ccc3[s]c[n]c32 Amb25349500 [0,0,0,0,1,0|2,0,1]=4 212 B15R3.1739 C1C=COc2ccc3[s]c[n]c3c21 Amb24092379 [0,0,0,0,1,0|3,0,0]=4 213 B15R3.1739 C1C=Cc2c1ccc3[n]cc[n]c32 Amb24066293 [0,0,0,0,1,0|1,0,1]=3 214 B15R3.1739 C1C=Cc2c1ccc3ccccc32 Amb19887826 [0,0,0,0,1,0|1,0,1]=3 215 B15R3.1739 C1C=Nc2c3[n]c[s]c3ccc2S1 Amb24066309 [0,0,0,0,1,0|2,0,1]=4 216 B15R3.1739 C1N=C2c3[n]cccc3C=CC2=N1 Amb25830609 [0,0,0,0,1,0|1,0,1]=3 217 B15R3.1739 C1N=c2c3=NC=CSc3ccc2S1 Amb24061231 [0,0,0,0,1,0|2,0,1]=4 218 B15R3.1739 C1Nc2ccc[n]c2-[n]3cccc31 Amb24651132 [0,0,0,0,1,0|2,0,1]=4 219 B15R3.1739 C1Oc2ccc[n]c2-c3[n][nH]cc31 Amb24397145 [0,0,0,0,1,0|2,0,1]=4 220 B15R3.1739 c1[nH]c2c3[n]cc[n]c3ccc2[n]1 Amb23448621 [0,0,0,0,1,0|2,0,1]=4 221 B15R3.1739 c1[nH]c2ccc3ccc[n]c3c2[n]1 Amb25751999 [0,0,0,0,1,0|1,0,0]=2 222 B15R3.1739 c1[nH]c2ccccc2c3cccc31 Amb25738604 [0,0,0,0,1,0|2,0,0]=3 223 B15R3.1739 c1[nH]cc2c3ccccc3ccc21 Amb25160525 [0,0,0,0,1,0|2,0,0]=3 224 B15R3.1739 c1[n][nH]c2c3ccccc3ccc21 Amb25069907 [0,0,0,0,1,0|2,0,1]=4 225 B15R3.1739 c1[n][nH]c2ccc3ccccc3c21 Amb22495896 [0,0,0,0,1,0|3,0,0]=4 226 B15R3.1739 c1[n][n]2cc[n]c2c3ccccc31 Amb25254750 [0,0,0,0,1,0|3,0,0]=4 227 B15R3.1739 c1[n]c2[nH]c[n]c2c3[n]cccc31 Amb25060157 [0,0,0,0,1,0|2,0,0]=3 228 B15R3.1739 c1[n]c2[s]ccc2c3ccccc31 Amb25103729 [0,0,0,0,1,0|3,0,0]=4 229 B15R3.1739 c1[n]c2c3SC=CNc3ccc2[s]1 Amb24081704 [0,0,0,0,1,0|3,0,0]=4 230 B15R3.1739 c1[n]c2c3[n]cc[n]c3ccc2[s]1 Amb25142392 [0,0,0,0,1,0|2,0,0]=3 231 B15R3.1739 c1[n]c2c[n]c[n]c2[n]3cccc31 Amb25078166 [0,0,0,0,1,0|3,0,0]=4 232 B15R3.1739 c1[n]c2cc[nH]c2c3ccccc31 Amb24428915 [0,0,0,0,1,0|2,0,1]=4 233 B15R3.1739 c1[n]c2ccc[n]c2[n]3cccc31 Amb24446039 [0,0,0,0,1,0|2,0,0]=3 234 B15R3.1739 c1[n]c2ccc[n]c2c3[n]cc[n]31 Amb24606512 [0,0,0,0,1,0|2,0,0]=3 235 B15R3.1739 c1[n]c2ccccc2c3[nH]ccc31 Amb25780553 [0,0,0,0,1,0|2,0,1]=4 236 B15R3.1739 c1[n]c2ccccc2c3[n]cc[n]31 Amb24526748 [0,0,0,0,1,0|3,0,0]=4 237 B15R3.1739 c1[n]c2ccccc2c3ccoc31 Amb25742647 [0,0,0,0,1,0|3,0,0]=4 238 B15R3.1739 c1[n]c2ccccc2c3occc31 Amb25223051 [0,0,0,0,1,0|3,0,0]=4 239 B15R3.1739 c1[n]c2occc2c3ccccc31 Amb23437183 [0,0,0,0,1,0|3,0,0]=4 240 B15R3.1739 c1[n]c[n]2c3ccccc3ccc21 Amb24743187 [0,0,0,0,1,0|3,0,0]=4 241 B15R3.1739 c1[n]c[n]c2c3[nH]c[n]c3ccc21 Amb25667828 [0,0,0,0,1,0|2,0,1]=4 242 B15R3.1739 c1[n]cc2c3[nH]cc[n]c3ccc21 Amb25073917 [0,0,0,0,1,0|2,0,1]=4 243 B15R3.1739 c1[n]ccc2c3[nH]ccc3ccc21 Amb23555761 [0,0,0,0,1,0|2,0,1]=4 244 B15R3.1739 c1c[n]2[n]ccc2c3ccccc31 Amb25794093 [0,0,0,0,1,0|3,0,0]=4 245 B15R3.1739 c1c[n]2cc[n]c2c3[n]cc[n]c31 Amb24623130 [0,0,0,0,1,0|2,0,0]=3 246 B15R3.1739 c1c[n]c2c3[nH]cc[n]c3ccc21 Amb25087743 [0,0,0,0,1,0|1,0,1]=3 247 B15R3.1739 c1c[n]c2ccc3[n]ccc3c2[nH]1 Amb25793502 [0,0,0,0,1,0|2,0,1]=4 248 B15R3.1739 c1cc2[n]cc[n]2c3ccccc31 Amb24399471 [0,0,0,0,1,0|3,0,0]=4 249 B15R3.1739 c1cc2[n]cc[n]c2c3[n]o[n]c31 Amb25060059 [0,0,0,0,1,0|3,0,0]=4 250 B15R3.1739 c1cc2[n]o[n]c2c3[n][n]ccc31 Amb24672805 [0,0,0,0,1,0|3,0,0]=4 251 B15R3.1739 c1cc2c(ccc3ccccc23)s1 Amb17666938 [0,0,0,0,1,0|2,0,0]=3 252 B15R3.1739 c1cc2ccc3ccccc3c2s1 Amb17666939 [0,0,0,0,1,0|2,0,0]=3 253 B15R3.1739 c1cc[n]c2c3[n]cc[n]3ccc21 Amb25808624 [0,0,0,0,1,0|1,0,0]=2 254 B15R3.1739 c1cc[n]c2cc[n]3cc[n]c3c21 Amb25227391 [0,0,0,0,1,0|3,0,0]=4 255 B15R3.1739 c1ccc2c(c1)c3ncoc3cc2 Amb10559427 [0,0,0,0,1,0|2,0,0]=3 256 B15R3.1739 c1ccc2c(c1)c3nn[nH]c3cc2 Amb1783097 [0,0,0,0,1,0|3,0,0]=4 257 B15R3.1739 c1ccc2c(c1)c3scnc3cc2 Amb2540147 [0,0,0,0,1,0|3,0,0]=4 258 B15R3.1739 c1ccc2c(c1)n3nncc3cc2 Amb10071808 [0,0,0,0,1,0|3,0,0]=4 259 B15R3.1739 c1ccc2c(ccc3[s]ccc32)[n]1 Amb24714714 [0,0,0,0,1,0|3,0,0]=4 260 B15R3.1739 c1cccc2c3ccoc3ccc21 Amb25791543 [0,0,0,0,1,0|2,0,0]=3 261 B15R3.1739 c1o[n]c2ccc3[n]cc[n]c3c21 Amb25800836 [0,0,0,0,1,0|3,0,0]=4 262 B15R3.1739 c:1:[n]:[n]:c-2:c3ccccc3:o:c:c21 Amb19931186 [0,0,0,0,1,0|3,0,0]=4 263 B17R3.1830 C1Nc2ccc[n]c2Oc3ccccc31 Amb20283068 [0,0,0,0,0,1|2,0,1]=4 264 B17R3.1830 c1ccc2c(c1)C=Cc3c(C2)cccc3 Amb2387203 [0,0,0,0,0,1|2,0,0]=3 265 B17R3.1832 C1C2=CC=CC=C1c3ccccc3C=C2 Amb17778327 [0,0,0,0,0,1|2,0,0]=3 266 B14R2.24 Brc1c[n]c[n]c1-c2cccc[n]2 Amb18677129 [1,0,1,0,0,0|2,0,0]=4 267 B14R2.24 Brc1ccc[n]c1-c2cccc[n]2 Amb24320684 [1,0,1,0,0,0|1,0,0]=3 268 B14R2.24 Brc1ccc[n]c1-c2ccccc2 Amb19959355 [1,0,1,0,0,0|2,0,0]=4 269 B14R2.24 Brc1ccccc1-c2cccc[n]2 Amb22000997 [1,0,1,0,0,0|2,0,0]=4 270 B14R2.24 Cc1cccnc1c2ccccn2 Amb13890800 [1,0,1,0,0,0|0,0,1]=3 271 B14R2.24 Clc1ccc[n]c1-c2ccccc2 Amb24099912 [1,0,1,0,0,0|2,0,0]=4 272 B14R2.24 Clc1ccccc1-c2cccc[n]2 Amb24103829 [1,0,1,0,0,0|2,0,0]=4 273 B14R2.24 Fc1ccc[n]c1-c2cccc[n]2 Amb25777697 [1,0,1,0,0,0|1,0,0]=3 274 B14R2.24 Fc1ccccc1-c2cccc[n]2 Amb24096965 [1,0,1,0,0,0|2,0,0]=4 275 B14R2.24 Ic1ccc[n]c1-c2ccccc2 Amb25192176 [1,0,1,0,0,0|2,0,0]=4 276 B14R2.24 Ic1ccccc1-c2cccc[n]2 Amb24637860 [1,0,1,0,0,0|2,0,0]=4 277 B14R2.24 Nc1cccnc1c2ccccc2 Amb10070336 [1,0,1,0,0,0|2,0,0]=4 278 B14R2.24 Nc1cccnc1c2ccccn2 Amb16233861 [1,0,1,0,0,0|1,0,0]=3 279 B14R2.24 O=C1NC=CN=C1c2cccc[n]2 Amb24399201 [1,0,1,0,0,0|2,0,0]=4 280 B14R2.24 Oc1ccc[n]c1-c2[n]ccc[n]2 Amb18647715 [1,0,1,0,0,0|2,0,0]=4 281 B14R2.24 Oc1ccc[n]c1-c2cccc[n]2 Amb18647621 [1,0,1,0,0,0|1,0,0]=3 282 B14R2.24 Oc1ccccc1-c2cccc[n]2 Amb18647487 [1,0,1,0,0,0|2,0,0]=4 283 B14R2.24 S=C1NC=CN=C1c2cccc[n]2 Amb25718128 [1,0,1,0,0,0|2,0,0]=4 284 B14R2.24 [O-]c1ccccc1-c2cccc[n]2 Amb22739619 [1,0,1,0,0,0|2,0,0]=4 285 B14R2.112 C=CCc1ccc2ccc[n]c2[n]1 Amb25129079 [1,0,1,0,0,0|1,0,1]=4 286 B14R2.112 C=CCc1cnc2c(c1)nccc2 Amb13890077 [1,0,1,0,0,0|1,0,1]=4 287 B14R2.112 O=CCc1cc2[n]cccc2cc1 Amb24065247 [1,0,1,0,0,0|1,0,1]=4 288 B14R2.92 O=Cc1ccc2c(c1N)nccc2 Amb13883520 [1,0,1,0,0,0|1,0,1]=4 289 B14R2.92 O=Cc1ccc2ccc[n]c2c1Br Amb23441934 [1,0,1,0,0,0|2,0,0]=4 290 B14R2.92 Oc1c(C=O)ccc2ccc[n]c21 Amb17933803 [1,0,1,0,0,0|2,0,0]=4 291 B14R2.203 O=Cc1c(Br)ccc2ccc[n]c21 Amb22498508 [1,0,1,0,0,0|2,0,0]=4 292 B14R2.203 O=Cc1c(Cl)ccc2ccc[n]c21 Amb19373769 [1,0,1,0,0,0|2,0,0]=4 293 B14R2.203 O=Cc1c(F)ccc2ccc[n]c21 Amb22494979 [1,0,1,0,0,0|2,0,0]=4 294 B14R2.203 Oc1ccc2ccc[n]c2c1C=O Amb23504049 [1,0,1,0,0,0|2,0,0]=4 295 B14R2.7150 Cl\C=C\c1cccc2c1cccc2 Amb10572878 [1,0,1,0,0,0|2,0,0]=4 296 B14R2.7150 N\C=N\c1cccc2ccccc21 Amb25378160 [1,0,1,0,0,0|2,0,0]=4 297 B14R2.7150 O=C=Nc1cccc2ccc[n]c21 Amb18280681 [1,0,1,0,0,0|1,0,1]=4 298 B14R2.7150 O=CCc1cccc2ccc[n]c21 Amb24065248 [1,0,1,0,0,0|1,0,1]=4 299 B14R2.7150 O=COc1cccc2ccc[n]c21 Amb25092823 [1,0,1,0,0,0|2,0,0]=4 300 B14R2.7150 O\N=C\c1cccc2ccc[n]c21 Amb25677267 [1,0,1,0,0,0|2,0,0]=4 301 B16R2.26 Cc1ccc(cc1)-c2[n]cccc2C=O Amb18812467 [0,1,1,0,0,0|2,0,0]=4 302 B16R2.26 N#Cc1cccnc1c2ccc(cn2)Cl Amb10601482 [0,1,1,0,0,0|1,0,1]=4 303 B16R2.26 OCc1cccnc1c2ccc(cn2)Cl Amb10601484 [0,1,1,0,0,0|1,0,1]=4 304 B16R2.87 NC(=O)c1ccc[n]c1-c2ccccc2 Amb22478949 [0,1,1,0,0,0|2,0,0]=4 305 B16R2.87 OB(O)c1ccc[n]c1-c2cccc[n]2 Amb24313553 [0,1,1,0,0,0|2,0,0]=4 306 B16R2.87 OC(=O)c1ccccc1c2ccccn2 Amb17136670 [0,1,1,0,0,0|2,0,0]=4 307 B16R2.87 OC(=O)c1cccnc1c2ccccn2 Amb16230611 [0,1,1,0,0,0|1,0,0]=3 308 B16R2.87 [O-][N+](=O)c1cccnc1c2ccccn2 Amb16232471 [0,1,1,0,0,0|2,0,0]=4 309 B16R2.2245 Cc1cc(ccc1)-c2[n]cccc2C=O Amb18812469 [0,1,1,0,0,0|2,0,0]=4 310 B16R2.2245 N#Cc1cccnc1c2cccc(n2)Br Amb10598977 [0,1,1,0,0,0|1,0,1]=4 311 B16R2.2245 N#Cc1cccnc1c2nccc(c2)N Amb10601312 [0,1,1,0,0,0|1,0,1]=4 312 B16R2.2245 O=Cc1ccccc1-c2cccc(Br)[n]2 Amb19957448 [0,1,1,0,0,0|2,0,0]=4 313 B16R2.2245 OCc1cccnc1c2cccc(n2)Br Amb10598979 [0,1,1,0,0,0|1,0,1]=4 314 B16R2.2245 OCc1cccnc1c2nccc(c2)N Amb10601314 [0,1,1,0,0,0|1,0,1]=4 315 B16R2.2443 Cc1cc(c(C=O)cc1)-c2cccc[n]2 Amb25049109 [0,1,1,0,0,0|2,0,0]=4 316 B16R2.2443 N#Cc1ccc(Cl)[n]c1-c2cccc[n]2 Amb24071926 [0,1,1,0,0,0|1,0,1]=4 317 B16R2.2443 O=Cc1ccc(Cl)cc1-c2cccc[n]2 Amb25030409 [0,1,1,0,0,0|2,0,0]=4 318 B16R2.2443 O=Cc1ccc(F)cc1-c2cccc[n]2 Amb24442100 [0,1,1,0,0,0|2,0,0]=4 319 B16R2.2474 Cc1ccccc1-c2[n]cccc2C=O Amb18812468 [0,1,1,0,0,0|2,0,0]=4 320 B16R2.2602 O=Cc1c(F)cccc1-c2cccc[n]2 Amb24536593 [0,1,1,0,0,0|2,0,0]=4 321 B16R2.477 OB(O)\C=C\c1cc2[n]cccc2cc1 Amb24680447 [0,1,1,0,0,0|2,0,0]=4 322 B16R2.477 OC(=O)\C=C\c1cc2[n]cccc2cc1 Amb19107676 [0,1,1,0,0,0|1,0,0]=3 323 B16R2.477 OC(=O)\C=C\c1ccc2c(c1)cccc2 Amb1129250 [0,1,1,0,0,0|2,0,0]=4 324 B16R2.477 OC(=O)\C=C\c1ccc2ccc[n]c2[n]1 Amb23440631 [0,1,1,0,0,0|2,0,0]=4 325 B16R2.767 O=C\C=C(\Cl)/c1cc2ccccc2cc1 Amb24523365 [0,1,1,0,0,0|2,0,0]=4 326 B16R2.2441 ClCC\C=C\c1cc2[n]cccc2cc1 Amb25328161 [0,1,1,0,0,0|1,0,1]=4 327 B16R2.71 Brc1ncccc1OCc2cccnc2 Amb10601228 [0,1,1,0,0,0|1,0,1]=4 328 B16R2.71 Cc1ccccc1C=Cc2ccccc2 Amb24323237 [0,1,1,0,0,0|2,0,0]=4 329 B16R2.71 Clc1[n]cccc1OCc2c[n]ccc2 Amb24640023 [0,1,1,0,0,0|1,0,1]=4 330 B16R2.71 Fc1[n]cccc1OCc2c[n]ccc2 Amb24338189 [0,1,1,0,0,0|1,0,1]=4 331 B16R2.71 Nc1ccccc1\C=C\c2ccccc2 Amb21947815 [0,1,1,0,0,0|2,0,0]=4 332 B16R2.71 Nc1ncccc1\N=C\c2ccccc2 Amb16186861 [0,1,1,0,0,0|2,0,0]=4 333 B16R2.71 Oc1ccccc1/C=C/c2ccccc2 Amb17920449 [0,1,1,0,0,0|2,0,0]=4 334 B16R2.71 [NH3+]c1ccccc1/C=C/c2ccccc2 Amb17777295 [0,1,1,0,0,0|2,0,0]=4 335 B16R2.88 C\C(=C\c1ccccc1)\c2ccccc2 Amb22735201 [0,1,1,0,0,0|2,0,0]=4 336 B16R2.88 N=C(Nc1ccccc1)c2c[n]ccc2 Amb19560749 [0,1,1,0,0,0|2,0,0]=4 337 B16R2.88 O=C(Cc1c[n]ccc1)c2c[n][n]cc2 Amb25193685 [0,1,1,0,0,0|1,0,1]=4 338 B16R2.88 O=C(Cc1c[n]ccc1)c2c[n]c[n]c2 Amb19088832 [0,1,1,0,0,0|1,0,1]=4 339 B16R2.88 O=C(Cc1c[n]ccc1)c2c[n]ccc2 Amb19083420 [0,1,1,0,0,0|0,0,1]=3 340 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 Amb17689201 [0,1,1,0,0,0|1,0,1]=4 341 B16R2.88 O=C(Nc1ccccc1)c2c[n]ccc2 Amb22734245 [0,1,1,0,0,0|2,0,0]=4 342 B16R2.88 O=C(c1cccnc1)Nc2ccccc2 Amb1195992 [0,1,1,0,0,0|2,0,0]=4 343 B16R2.88 O\C(=C/c1ccccn1)\c2cccnc2 Amb10574078 [0,1,1,0,0,0|2,0,0]=4 344 B16R2.88 S=C(c1ccccc1)Nc2cccnc2 Amb10554147 [0,1,1,0,0,0|2,0,0]=4 345 B16R2.88 [O-]\[N+](=C/c1cccnc1)\c2ccccc2 Amb10575454 [0,1,1,0,0,0|2,0,0]=4 346 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 Amb24323238 [0,1,1,0,0,0|2,0,0]=4 347 B16R2.132 Clc1ccc(cc1)\C=C\c2ccccc2 Amb10568579 [0,1,1,0,0,0|2,0,0]=4 348 B16R2.132 Fc1ccc(c[n]1)OCc2c[n]ccc2 Amb24731519 [0,1,1,0,0,0|1,0,1]=4 349 B16R2.132 Oc1ccc(nn1)\C=C\c2ccccc2 Amb2406450 [0,1,1,0,0,0|2,0,0]=4 350 B16R2.252 Brc1cc(c[n]c1)NCc2c[n]ccc2 Amb24346029 [0,1,1,0,0,0|1,0,1]=4 351 B16R2.252 Brc1cc(c[n]c1)OCc2c[n]ccc2 Amb24584601 [0,1,1,0,0,0|1,0,1]=4 352 B16R2.252 Clc1cccc(c1)\C=C\c2ccccc2 Amb10554706 [0,1,1,0,0,0|2,0,0]=4 353 B16R2.252 Nc1cc(ccc1)\C=C\c2ccccc2 Amb18137668 [0,1,1,0,0,0|2,0,0]=4 354 B16R2.252 [O-][n+]1cccc(c1)\C=C\c2ccccc2 Amb10554501 [0,1,1,0,0,0|1,0,1]=4 355 B16R2.1229 C=CC(=O)c1ccc2ccccc2c1F Amb25172127 [0,1,1,0,0,0|2,0,0]=4 356 B16R2.1229 Cc1c2ccccc2ccc1C(=O)C=C Amb24515807 [0,1,1,0,0,0|2,0,0]=4 357 B16R2.21692 C=CCc1cc(Cl)c2ccc[n]c2c1O Amb22263883 [0,1,1,0,0,0|1,0,1]=4 358 B16R2.28224 Cc1ccc2ccc(CC=C)c(O)c2n1 Amb17836111 [0,1,1,0,0,0|1,0,1]=4 359 B16R2.12192 C=CCOc1ccc(N)c2ccc[n]c12 Amb18298743 [0,1,1,0,0,0|1,0,1]=4 360 B16R2.12192 O=C\C=C\c1ccc(Br)c2ccc[n]c21 Amb24503505 [0,1,1,0,0,0|2,0,0]=4 361 B16R2.12192 O=C\C=C\c1ccc(Cl)c2ccc[n]c21 Amb25365810 [0,1,1,0,0,0|2,0,0]=4 362 B16R2.170412 C=CC(=O)Cc1cccc2ccccc21 Amb24437270 [0,1,1,0,0,0|2,0,0]=4 363 B16R2.170412 C=CC(=O)Oc1cccc2ccc[n]c21 Amb21858906 [0,1,1,0,0,0|1,0,0]=3 364 B16R2.179941 CC(=O)\C=C\c1cccc2ccc[n]c12 Amb25126388 [0,1,1,0,0,0|1,0,1]=4 365 B16R2.179941 OC(=O)C=Cc1cccc2ccc[n]c12 Amb24094208 [0,1,1,0,0,0|2,0,0]=4 366 B16R3.2583 Brc1cc2c3[n]cccc3[nH]c2cc1 Amb24325010 [0,1,0,0,1,0|2,0,0]=4 367 B16R3.2583 Cc1ccc2[nH]c3ccccc3c2[n]1 Amb25365234 [0,1,0,0,1,0|2,0,0]=4 368 B16R3.2583 Nc1cc2c3[n]cccc3[s]c2cc1 Amb25783805 [0,1,0,0,1,0|2,0,0]=4 369 B16R3.2583 Nc1cc2c3[n]cccc3oc2cc1 Amb24665742 [0,1,0,0,1,0|2,0,0]=4 370 B16R3.2583 Nc1ccc2[s]c3[n]cc[n]c3c2[n]1 Amb25709670 [0,1,0,0,1,0|2,0,0]=4 371 B16R3.2583 Nc1ccc2cc3cccc[n]3c2[n]1 Amb25123381 [0,1,0,0,1,0|2,0,0]=4 372 B16R3.2637 Brc1c[n]c2c(c1)[s]c3ccccc32 Amb25292941 [0,1,0,0,1,0|2,0,0]=4 373 B16R3.2637 Brc1c[n]c2c(c1)oc3ccccc32 Amb25352050 [0,1,0,0,1,0|2,0,0]=4 374 B16R3.2637 Cc1cc2[nH]c3ccc[n]c3c2cc1 Amb25124784 [0,1,0,0,1,0|2,0,0]=4 375 B16R3.2637 Clc1cc2[nH]c3ccc[n]c3c2cc1 Amb24640247 [0,1,0,0,1,0|2,0,0]=4 376 B16R3.3329 Cc1cc[n]c2c1[nH]c3ccccc32 Amb25041129 [0,1,0,0,1,0|2,0,0]=4 377 B16R3.3329 O=C1NC=Nc2c1[nH]c3ccc[n]c32 Amb24336525 [0,1,0,0,1,0|2,0,0]=4 378 B16R3.20606 C=C1c2ccccc2c3c1cccc3 Amb10575214 [0,1,0,0,1,0|2,0,0]=4 379 B16R3.20606 NC1c2ccc[n]c2-c3ccccc31 Amb19106706 [0,1,0,0,1,0|1,0,1]=4 380 B16R3.20606 O=C1c2cc[n][n]c2-c3ccccc31 Amb24644136 [0,1,0,0,1,0|2,0,0]=4 381 B16R3.20606 O=C1c2ccccc2c3c1cccc3 Amb1021887 [0,1,0,0,1,0|2,0,0]=4 382 B16R3.20606 O=C1c2ccccc2c3c1cccn3 Amb1024671 [0,1,0,0,1,0|1,0,0]=3 383 B16R3.20606 O=C1c2ccccc2c3c1nccn3 Amb16759096 [0,1,0,0,1,0|2,0,0]=4 384 B16R3.20606 O=C1c2cccnc2c3c1cccn3 Amb1068282 [0,1,0,0,1,0|0,0,0]=2 385 B16R3.20606 OC1c2ccccc2c3c1cccn3 Amb2427405 [0,1,0,0,1,0|1,0,1]=4 386 B16R3.20606 S=C1c2ccccc2-c3ccccc31 Amb25808129 [0,1,0,0,1,0|2,0,0]=4 387 B16R3.27838 C[n]:1:c:c:c:c-2:[n]:c3ccc[n]c3:c12 Amb20662179 [0,1,0,0,1,0|1,0,1]=4 388 B16R3.335 Brc1[n]c2c3ccccc3ccc2o1 Amb24543737 [0,1,0,0,1,0|2,0,0]=4 389 B16R3.335 CC=1Cc2c3ccccc3ccc2C1 Amb19887824 [0,1,0,0,1,0|1,0,1]=4 390 B16R3.335 CC=1Cc2c3ccccc3ccc2C1 Amb24325360 [0,1,0,0,1,0|1,0,1]=4 391 B16R3.335 CC=1Cc2ccc3ccccc3c2C1 Amb21964649 [0,1,0,0,1,0|1,0,1]=4 392 B16R3.335 Cc1[nH]c2c3[n]cccc3ccc2[n]1 Amb25677774 [0,1,0,0,1,0|1,0,1]=4 393 B16R3.335 Cc1cc2c(ccc3ccccc23)[nH]1 Amb17939126 [0,1,0,0,1,0|2,0,0]=4 394 B16R3.335 Cc1cc2ccc3ccc[n]c3c2[nH]1 Amb25742994 [0,1,0,0,1,0|0,0,1]=3 395 B16R3.335 Cc1nc2c(s1)ccc3c2cccc3 Amb1151328 [0,1,0,0,1,0|2,0,0]=4 396 B16R3.335 Nc1[n]c2c3ccccc3ccc2o1 Amb23594666 [0,1,0,0,1,0|2,0,0]=4 397 B16R3.335 Nc1nc2c(s1)ccc3c2cccc3 Amb1103951 [0,1,0,0,1,0|2,0,0]=4 398 B16R3.335 O=C1C=C2c3ccccc3C=CC2=N1 Amb25727313 [0,1,0,0,1,0|2,0,0]=4 399 B16R3.335 O=C1Nc2ccc3ccc[n]c3c2O1 Amb25235238 [0,1,0,0,1,0|2,0,0]=4 400 B16R3.335 Sc1nc2c(o1)ccc3c2cccc3 Amb1107543 [0,1,0,0,1,0|2,0,0]=4 401 B16R3.2120 Brc1cc2ccc3[n]cc[n]3c2[n]c1 Amb21989400 [0,1,0,0,1,0|2,0,0]=4 402 B16R3.2120 Oc1cc2ccc3cc[s]c3c2cc1 Amb25759589 [0,1,0,0,1,0|2,0,0]=4 403 B16R3.2620 C[n]1c[n]c2c3[n]cc[n]c3ccc12 Amb24078892 [0,1,0,0,1,0|2,0,0]=4 404 B16R3.2620 C[n]1c[n]c2c3[n]cccc3ccc12 Amb24078895 [0,1,0,0,1,0|1,0,0]=3 405 B16R3.2620 C[n]1c[n]c2c3ccccc3ccc12 Amb24078953 [0,1,0,0,1,0|2,0,0]=4 406 B16R3.2620 Cc1[nH][n]c2c3ccccc3ccc21 Amb24568870 [0,1,0,0,1,0|2,0,0]=4 407 B16R3.2620 Cc1c[nH]c2c3ccccc3ccc21 Amb25301226 [0,1,0,0,1,0|1,0,1]=4 408 B16R3.2620 Cc1c[n]c2c3ccccc3cc[n]21 Amb25184037 [0,1,0,0,1,0|2,0,0]=4 409 B16R3.2620 Nc1c[n]c2c3ccccc3cc[n]21 Amb24432812 [0,1,0,0,1,0|2,0,0]=4 410 B16R3.2620 Nc1o[n]c2c3ccccc3ccc21 Amb25164394 [0,1,0,0,1,0|2,0,0]=4 411 B16R3.3350 Cc1cccc2c3cc[nH]c3ccc21 Amb25193184 [0,1,0,0,1,0|2,0,0]=4 412 B16R3.3350 Clc1cc[n]c2c3[n]c[nH]c3ccc21 Amb25278267 [0,1,0,0,1,0|1,0,0]=3 413 B16R3.3350 Clc1cccc2c3[s]ccc3ccc21 Amb22450913 [0,1,0,0,1,0|2,0,0]=4 414 B16R3.3350 Nc1cc[n]c2c3[nH]ccc3ccc21 Amb24365746 [0,1,0,0,1,0|0,0,1]=3 415 B16R3.3350 Nc1cccc2c1ccc3n2ccc3 Amb2423424 [0,1,0,0,1,0|2,0,0]=4 416 B16R3.3350 O=C1C=CNc2c3cc[nH]c3ccc21 Amb20247265 [0,1,0,0,1,0|1,0,1]=4 417 B16R3.3350 O=C1N=CN=C2C3=NC=NC3=CC=C21 Amb25818670 [0,1,0,0,1,0|2,0,0]=4 418 B16R3.3510 Cc1cc2ccccc2c3[n]c[nH]c31 Amb25275047 [0,1,0,0,1,0|2,0,0]=4 419 B16R3.3510 O=C1Nc2ccc[n]c2-c3cc[s]c31 Amb24669058 [0,1,0,0,1,0|2,0,0]=4 420 B16R3.3510 S=C1Nc2ccc[n]c2-c3cc[s]c31 Amb25183432 [0,1,0,0,1,0|2,0,0]=4 421 B16R3.11020 Cc1cc2c3CC=Cc3ccc2cc1 Amb24753249 [0,1,0,0,1,0|1,0,1]=4 422 B16R3.11020 Cc1cc2c3[n]c[nH]c3ccc2cc1 Amb24521899 [0,1,0,0,1,0|2,0,0]=4 423 B16R3.11020 Nc1[n]c2c3cc[nH]c3ccc2c[n]1 Amb24652336 [0,1,0,0,1,0|2,0,0]=4 424 B16R3.11020 O=C1C=Cc2ccc3[s]ccc3c2N1 Amb24681092 [0,1,0,0,1,0|1,0,1]=4 425 B16R3.11020 O=C1C=Cc2ccc3occc3c2O1 Amb19130532 [0,1,0,0,1,0|2,0,0]=4 426 B16R3.11020 Oc1cc2c3[n]c[nH]c3ccc2cc1 Amb24309330 [0,1,0,0,1,0|2,0,0]=4 427 B16R3.11020 Oc1cc2c3ccoc3ccc2cc1 Amb25713699 [0,1,0,0,1,0|2,0,0]=4 428 B16R3.13490 Clc1cc2cc[nH]c2c3ccccc31 Amb24521433 [0,1,0,0,1,0|1,0,1]=4 429 B16R3.13490 Clc1cc2ccoc2c3ccccc31 Amb25033387 [0,1,0,0,1,0|2,0,0]=4 430 B16R3.13490 O=C1Nc2ccc[n]2-c3[n]cccc31 Amb24680330 [0,1,0,0,1,0|2,0,0]=4 431 B16R3.17392 O=C1CCc2ccc3ccc[n]c3c21 Amb24426757 [0,1,0,0,1,0|0,0,2]=4 432 B18R3.4127 Cc1ccc2c(c1)C=Cc3c(N2)cccc3 Amb17617066 [0,1,0,0,0,1|2,0,0]=4 433 B18R3.4127 Clc1cc2C=Cc3ccccc3Oc2cc1 Amb22169720 [0,1,0,0,0,1|2,0,0]=4 434 B18R3.32275 Nc1ccc2c(c1)Oc3ccccc3C=C2 Amb1068333 [0,1,0,0,0,1|2,0,0]=4 435 B18R3.59194 ClC1c2ccccc2C=Cc3ccccc31 Amb22263633 [0,1,0,0,0,1|2,0,0]=4 436 B18R3.59194 NC1c2ccccc2C=Cc3ccccc31 Amb22456890 [0,1,0,0,0,1|2,0,0]=4 437 B18R3.59194 O=C1c2ccccc2C=Cc3ccccc31 Amb19886545 [0,1,0,0,0,1|2,0,0]=4 438 B18R3.59194 O=c1c2ccccc2ccc3ccccc13 Amb17750070 [0,1,0,0,0,1|2,0,0]=4 439 B18R3.92719 O=C1Nc2ccccc2Nc3ncccc13 Amb17835246 [0,1,0,0,0,1|2,0,0]=4 440 B18R3.92719 O=C1Nc2ccccc2Sc3[n]cccc31 Amb24274086 [0,1,0,0,0,1|2,0,0]=4 441 B18R3.92719 O=C1Nc2cccnc2Nc3ccccc13 Amb17774693 [0,1,0,0,0,1|2,0,0]=4 442 B18R3.92719 O=C1Nc2cccnc2Sc3c1cccc3 Amb10073587 [0,1,0,0,0,1|2,0,0]=4 443 B18R3.92719 S=C1Nc2cccnc2Nc3ccccc13 Amb17845255 [0,1,0,0,0,1|2,0,0]=4 444 B18R3.112707 O=C1C=Cc2ccccc2-c3ccccc31 Amb21948170 [0,1,0,0,0,1|2,0,0]=4 445 B18R3.28 COc1cc2ccc3ccccc3c2cc1 Amb22364379 [0,2,0,0,0,0|2,0,0]=4 446 B18R3.28 N#Cc1cc2ccc3ccccc3c2cc1 Amb22364380 [0,2,0,0,0,0|2,0,0]=4 447 B18R3.28 O=Cc1ccc2c(c1)ccc3c2cccc3 Amb16233108 [0,2,0,0,0,0|2,0,0]=4 448 B18R3.4232 Oc1cc2c(cc1)c3ccccc3cc2O Amb24060898 [0,2,0,0,0,0|2,0,0]=4 449 B18R3.9900 Cc1cc2ccc3cccc(C)c3c2cc1 Amb22731506 [0,2,0,0,0,0|2,0,0]=4 450 B18R3.34464 Brc1c[n]c2c3ccc(Br)[n]c3ccc2c1 Amb19515755 [0,2,0,0,0,0|2,0,0]=4 451 B18R3.34464 Brc1cc2ccc3cc(Br)ccc3c2cc1 Amb22002228 [0,2,0,0,0,0|2,0,0]=4 452 B18R3.34464 Brc1cnc2c(c1)ccc3c2ncc(c3)Br Amb10602204 [0,2,0,0,0,0|0,0,0]=2 453 B18R3.34464 Cc1cc2ccc3cc(C)ccc3c2cc1 Amb22364668 [0,2,0,0,0,0|2,0,0]=4 454 B18R3.9713 O=Cc1cc[n]c2c3[n]cccc3ccc21 Amb22495814 [0,2,0,0,0,0|0,0,0]=2 455 B18R3.89303 Clc1ccnc2c1ccc3c2c(O)ccn3 Amb10554098 [0,2,0,0,0,0|2,0,0]=4 456 B18R3.89303 Oc1ccnc2c1ccc3c2c(O)ccn3 Amb10554103 [0,2,0,0,0,0|2,0,0]=4 457 B18R3.89304 Brc1cc[n]c2c3[n]ccc(Br)c3ccc12 Amb20621133 [0,2,0,0,0,0|0,0,0]=2 458 B18R3.89304 Clc1cc[n]c2c3[n]ccc(Cl)c3ccc12 Amb22276899 [0,2,0,0,0,0|0,0,0]=2 459 B18R3.89304 Oc1cc[nH+]c2c1ccc3c2nccc3O Amb1806855 [0,2,0,0,0,0|0,0,1]=3 460 B18R3.89304 Oc1ccnc2c1ccc3c2nccc3O Amb1045785 [0,2,0,0,0,0|0,0,0]=2 461 B18R3.98509 Clc1cc[n+](c2c1c3ncccc3cc2)C Amb10554384 [0,2,0,0,0,0|2,0,0]=4 462 B18R3.98509 Ic1ccc(c2c1ccc3c2nccc3)O Amb10604373 [0,2,0,0,0,0|1,0,0]=3 463 B18R3.108725 CC1=CC(=O)Nc2c3ccccc3ccc21 Amb22359564 [0,2,0,0,0,0|1,0,1]=4 464 B18R3.108725 CC1=CC(=O)Oc2c3ccccc3ccc21 Amb19538283 [0,2,0,0,0,0|2,0,0]=4 465 B18R3.108725 CC1=CC(=O)c2ccc3ccccc3c2O1 Amb22462431 [0,2,0,0,0,0|2,0,0]=4 466 B18R3.108725 Cc1cc(C)[n+]2c(n1)c3ccccc3cc2 Amb2241429 [0,2,0,0,0,0|2,0,0]=4 467 B18R3.108725 Cc1cc(C)c2c(n1)c3ccccc3cc2 Amb1014518 [0,2,0,0,0,0|1,0,0]=3 468 B18R3.108725 Cc1cc(C)c2ccc3ccccc3c2[n]1 Amb22282355 [0,2,0,0,0,0|1,0,0]=3 469 B18R3.108725 Cc1cc(Cl)c2ccc3c[n]ccc3c2[n]1 Amb23536026 [0,2,0,0,0,0|2,0,0]=4 470 B18R3.108725 Cc1cc(O)c2c(n1)c3ccccc3cc2 Amb2567988 [0,2,0,0,0,0|1,0,0]=3 471 B18R3.108725 Cc1cc(O)c2ccc3c[n]ccc3c2[n]1 Amb23536027 [0,2,0,0,0,0|2,0,0]=4 472 B18R3.108725 Cc1cc(S)c2ccc3ccc[n]c3c2[n]1 Amb24120197 [0,2,0,0,0,0|0,0,0]=2 473 B18R3.108725 Cc1cc(S)c2ccc3ccccc3c2[n]1 Amb24120186 [0,2,0,0,0,0|1,0,0]=3 474 B18R3.108725 O=C1C=C(Cl)N=C2c3ccccc3C=CN21 Amb20247004 [0,2,0,0,0,0|2,0,0]=4 475 B18R3.108725 OC1=CC(=O)Oc2c3ccccc3ccc21 Amb24312119 [0,2,0,0,0,0|2,0,0]=4 476 B18R3.17013 BrCc1cc2c3ccccc3ccc2cc1 Amb22364381 [0,2,0,0,0,0|2,0,0]=4 477 B18R3.17013 CCc1ccc2c(c1)c3ccccc3cc2 Amb15692734 [0,2,0,0,0,0|2,0,0]=4 478 B18R3.17013 N#Cc1ccc2c(n1)c3ncccc3cc2 Amb16228684 [0,2,0,0,0,0|0,0,0]=2 479 B18R3.17013 N#Cc1ccc2ccc3ccc[n]c3c2[n]1 Amb22235995 [0,2,0,0,0,0|0,0,0]=2 480 B18R3.17013 O=Cc1ccc2ccc3ccccc3c2c1 Amb17689446 [0,2,0,0,0,0|2,0,0]=4 481 B18R3.32850 C[n+]1cccc2ccc3ccc(Cl)[n]c3c12 Amb23453333 [0,2,0,0,0,0|0,0,1]=3 482 B18R3.32850 C[n+]1cccc2ccc3ccc(Cl)[n]c3c12 Amb24121505 [0,2,0,0,0,0|0,0,1]=3 483 B18R3.32851 Brc1cc2c3cc(Br)ccc3ccc2cc1 Amb22301515 [0,2,0,0,0,0|2,0,0]=4 484 B18R3.32851 Brc1ccc2ccc3ccc(Br)[n]c3c2[n]1 Amb20620922 [0,2,0,0,0,0|0,0,0]=2 485 B18R3.32851 Cc1ccc2ccc3ccc(C)[n]c3c2[n]1 Amb21964441 [0,2,0,0,0,0|0,0,0]=2 486 B18R3.32867 CN1C(=O)C=Cc2ccc3ccc[n]c3c12 Amb22345410 [0,2,0,0,0,0|0,0,1]=3 487 B18R3.32867 CN1C(=O)C=Cc2ccc3ccccc3c12 Amb19770285 [0,2,0,0,0,0|1,0,1]=4 488 B18R3.32867 Cc1ccc2ccc3ccccc3c2[n+]1C Amb23453335 [0,2,0,0,0,0|1,0,1]=4 489 B18R3.32867 Cc1ccc2ccc3ccccc3c2[n+]1C Amb24121507 [0,2,0,0,0,0|1,0,1]=4 490 B18R3.93442 Cc1ccc2c(n1)c3ccccc3c(=O)o2 Amb10554371 [0,2,0,0,0,0|2,0,0]=4 491 B18R3.93442 Nc1cc2ccc(Cl)cc2c3ccccc31 Amb23560213 [0,2,0,0,0,0|2,0,0]=4 492 B18R3.99629 Oc1cc2c(cc1)c(O)cc3ccccc32 Amb24078659 [0,2,0,0,0,0|2,0,0]=4 493 B18R3.159486 C#Cc1cc2ccccc2c3ccccc31 Amb22230199 [0,2,0,0,0,0|2,0,0]=4 494 B18R3.159486 C=Cc1cc2ccccc2c3c1cccc3 Amb17621274 [0,2,0,0,0,0|2,0,0]=4 495 B18R3.159486 ClCc1cc2ccccc2c3c1cccc3 Amb17610986 [0,2,0,0,0,0|2,0,0]=4 496 B18R3.159486 I[Zn]c1cc2ccccc2c3ccccc31 Amb22000448 [0,2,0,0,0,0|2,0,0]=4 497 B18R3.159486 N#Cc1cc2cccnc2c3c1cccn3 Amb1971481 [0,2,0,0,0,0|0,0,0]=2 498 B18R3.159486 O=Cc1cc2ccc[n]c2c3[n]cccc31 Amb22002479 [0,2,0,0,0,0|0,0,0]=2 499 B18R3.159486 O=Cc1nc2ccccc2c3c1cccn3 Amb1270904 [0,2,0,0,0,0|2,0,0]=4 500 B18R3.159486 OCc1cc2ccccc2c3ccccc31 Amb20411494 [0,2,0,0,0,0|2,0,0]=4 501 B18R3.422788 Brc1c2ccc[n]c2c3[n]cccc3c1Br Amb22495602 [0,2,0,0,0,0|0,0,0]=2 502 B18R3.422788 Nc1c2ccc[n]c2c3[n]cccc3c1N Amb21962103 [0,2,0,0,0,0|0,0,0]=2 503 B18R3.422788 O=C1C(=O)c2ccccc2c3c1cccc3 Amb1016535 [0,2,0,0,0,0|2,0,0]=4 504 B18R3.422788 O=C1C(=O)c2cccnc2c3c1cccn3 Amb1058779 [0,2,0,0,0,0|0,0,0]=2 505 B18R3.422788 [2H]c1c2ccccc2c3ccccc3c1[2H] Amb22364670 [0,2,0,0,0,0|2,0,0]=4 506 B16R3.1720 C1c2[n]cccc2Nc3[n]cccc31 Amb25123225 [0,0,1,1,0,0|1,0,1]=4 507 B16R3.1720 c1c2[n]c[n]cc2cc3[n]c[n]cc31 Amb22494578 [0,0,1,1,0,0|2,0,0]=4 508 B16R3.1720 c1c2[n]cc[n]c2cc3ccccc31 Amb24325413 [0,0,1,1,0,0|2,0,0]=4 509 B16R3.1720 c1ccc2c(c1)c[13c]3[13c](c2)[13cH][13cH][13cH][13cH]3 Amb17608465 [0,0,1,1,0,0|2,0,0]=4 510 B16R3.1720 c1ccc2cc3ccccc3cc2c1 Amb17779281 [0,0,1,1,0,0|2,0,0]=4 511 B16R3.1720 c1cnc2c(c1)cc3c(c2)nccc3 Amb2385804 [0,0,1,1,0,0|2,0,0]=4 512 B16R3.1720 c1cnc2cc3cccnc3cc2c1 Amb17777513 [0,0,1,1,0,0|0,0,0]=2 513 B16R3.4911 c1ccc2C=CC=Cc3cccc1c32 Amb25831156 [0,0,1,1,0,0|2,0,0]=4 514 B18R4.13257 c1ccc2c(n1)c3ncccc3C4C2O4 Amb1395266 [0,0,0,1,0,1|0,0,2]=4 515 B18R4.923296 C1c2cccc3ccc4cccc1c4c32 Amb21520336 [0,1,0,1,0,0|2,0,0]=4 516 B14R2.14 C=Cc1[nH]ccc1-c2cccc[n]2 Amb24390261 [0,0,1,0,1,0|1,0,0]=3 517 B14R2.14 O=Cc1[s]ccc1-c2cccc[n]2 Amb18191064 [0,0,1,0,1,0|2,0,0]=4 518 B14R2.14 O=Cc1c[s]cc1-c2cccc[n]2 Amb18146158 [0,0,1,0,1,0|2,0,0]=4 519 B14R2.14 O=Cc1cc[n][n]1-c2cccc[n]2 Amb22494397 [0,0,1,0,1,0|2,0,0]=4 520 B14R2.14 O=Cc1cccn1c2ccccn2 Amb2234591 [0,0,1,0,1,0|2,0,0]=4 521 B14R2.14 O=Cc1occc1-c2cccc[n]2 Amb24415837 [0,0,1,0,1,0|2,0,0]=4 522 B14R2.98 O=Cc1ccc[n]c1-[n]2cccc2 Amb24721737 [0,0,1,0,1,0|2,0,0]=4 523 B14R2.98 O=Cc1ccc[n]c1-c2[nH]cc[n]2 Amb25060088 [0,0,1,0,1,0|2,0,0]=4 524 B14R2.98 O=Cc1ccc[n]c1-c2ccc[s]2 Amb18191057 [0,0,1,0,1,0|2,0,0]=4 525 B14R2.98 O=Cc1ccc[n]c1-c2ccco2 Amb18198102 [0,0,1,0,1,0|2,0,0]=4 526 B14R2.98 O=Cc1ccc[n]c1-c2cocc2 Amb24536084 [0,0,1,0,1,0|2,0,0]=4 527 B14R2.6 C(c1c[n]cc[n]1)c2c[n]ccc2 Amb22263115 [0,0,1,0,1,0|1,0,1]=4 528 B14R2.6 C(c1c[n]ccc1)c2c[n]ccc2 Amb21864899 [0,0,1,0,1,0|0,0,1]=3 529 B14R2.6 c1[n]cccc1Nc2c[n]c[n]c2 Amb18267815 [0,0,1,0,1,0|2,0,0]=4 530 B14R2.6 c1[n]cccc1Nc2c[n]ccc2 Amb18930867 [0,0,1,0,1,0|1,0,0]=3 531 B14R2.6 c1ccc(cc1)Sc2cccnc2 Amb10573261 [0,0,1,0,1,0|2,0,0]=4 532 B14R2.101 C/1=CC=N\C1=C/C=C\2/C=CC=CN2 Amb25804680 [0,0,1,0,1,0|2,0,0]=4 533 B14R2.101 c1[nH][n]cc1\C=C\c2c[n][n]cc2 Amb24749249 [0,0,1,0,1,0|2,0,0]=4 534 B14R2.101 c1[nH]c(c[n]1)\C=C\c2ccccc2 Amb25835258 [0,0,1,0,1,0|2,0,0]=4 535 B14R2.101 c1[n][n]ccc1\C=C\c2[nH]cc[n]2 Amb24386818 [0,0,1,0,1,0|2,0,0]=4 536 B14R2.101 c1[n][n]ccc1\C=C\c2[n]cc[s]2 Amb25270803 [0,0,1,0,1,0|2,0,0]=4 537 B14R2.101 c1[n][n]ccc1\C=C\c2c[s]cc2 Amb25091879 [0,0,1,0,1,0|2,0,0]=4 538 B14R2.101 c1[n][n]ccc1\C=C\c2ccc[s]2 Amb24386817 [0,0,1,0,1,0|2,0,0]=4 539 B14R2.101 c1[n][n]ccc1\C=C\c2coc[n]2 Amb25668723 [0,0,1,0,1,0|2,0,0]=4 540 B14R2.101 c1[n]cccc1\C=N\[n]2cccc2 Amb25333197 [0,0,1,0,1,0|2,0,0]=4 541 B14R2.101 c1[s]ccc1\C=C\c2ccc[n][n]2 Amb24380594 [0,0,1,0,1,0|2,0,0]=4 542 B14R2.101 c1ccc(\C=C\c2ccc[s]2)[n][n]1 Amb22442748 [0,0,1,0,1,0|2,0,0]=4 543 B14R2.101 c1ccc(cc1)\C=C\c2cccs2 Amb1060407 [0,0,1,0,1,0|2,0,0]=4 544 B14R2.101 c1ccc(cn1)\C=N\c2nccs2 Amb1003427 [0,0,1,0,1,0|2,0,0]=4 545 B14R2.101 c1ccccc1\C=C\c2[nH]cc[n]2 Amb22489715 [0,0,1,0,1,0|2,0,0]=4 546 B14R2.101 c1ccccc1\C=C\c2cc[nH][n]2 Amb24119917 [0,0,1,0,1,0|2,0,0]=4 547 B14R2.101 c1ccccc1\C=C\c2ccc[nH]2 Amb25799680 [0,0,1,0,1,0|1,0,1]=4 548 B14R3.2 c1ccc-2c(c1)-c3ccccc23 Amb17672015 [0,0,0,0,2,0|2,0,0]=4 549 B14R3.2 c1cnc-2c(c1)-c3cccnc23 Amb17842950 [0,0,0,0,2,0|0,0,0]=2 550 B14R3.49 C1C=CC=C2C=C3SC=CC3=C21 Amb24627566 [0,0,0,0,2,0|2,0,0]=4 551 B14R3.3046 C1=CC2=NC=CC2=C3C=CN=C31 Amb25769458 [0,0,0,0,2,0|2,0,0]=4 552 B14R3.3046 C1C=Cc2c1ccc3ccoc32 Amb24081694 [0,0,0,0,2,0|1,0,1]=4 553 B14R3.3046 C1C=Cc2ccc3ccoc3c21 Amb24066352 [0,0,0,0,2,0|1,0,1]=4 554 B14R3.3046 C1C=Cc2ccc3occc3c21 Amb24066353 [0,0,0,0,2,0|1,0,1]=4 555 B14R3.3046 C1C=c2ccc3=CC=Nc3c2O1 Amb24100763 [0,0,0,0,2,0|1,0,1]=4 556 B14R3.3046 C1N=c2c(ccc3C=CC=c32)O1 Amb24100781 [0,0,0,0,2,0|1,0,1]=4 557 B14R3.3046 C1N=c2c3=NC=Cc3ccc2O1 Amb24061215 [0,0,0,0,2,0|1,0,1]=4 558 B14R3.3046 C1N=c2c3=NC=Cc3ccc2S1 Amb24061214 [0,0,0,0,2,0|1,0,1]=4 559 B14R3.3046 c1[nH]oc2c3cccc3ccc21 Amb24100782 [0,0,0,0,2,0|2,0,0]=4 560 B14R3.3046 c1[n]c2c3[s]ccc3ccc2[s]1 Amb25817142 [0,0,0,0,2,0|2,0,0]=4 561 B14R3.3046 c1[n]c2c3cc[nH]c3ccc2[s]1 Amb24091711 [0,0,0,0,2,0|2,0,0]=4 562 B14R3.3046 c1[n]c2c3cc[nH]c3ccc2o1 Amb25700808 [0,0,0,0,2,0|2,0,0]=4 563 B14R3.3046 c1[n]c2c3cc[s]c3ccc2[s]1 Amb24371216 [0,0,0,0,2,0|2,0,0]=4 564 B14R3.3046 c1[s]cc2c3[n]c[s]c3ccc21 Amb24097181 [0,0,0,0,2,0|2,0,0]=4 565 B14R3.3046 c1[s]cc2c3c[s]cc3ccc21 Amb24066366 [0,0,0,0,2,0|2,0,0]=4 566 B14R3.3046 c1c[nH]c2c3ccoc3ccc21 Amb24088960 [0,0,0,0,2,0|1,0,1]=4 567 B14R3.3046 c1c[n]2cc[n]c2c3[n]cc[n]31 Amb25843706 [0,0,0,0,2,0|2,0,0]=4 568 B14R3.3046 c1c[n]2ccc3[s]ccc3c2[n]1 Amb24493219 [0,0,0,0,2,0|2,0,0]=4 569 B14R3.3046 c1c[s]c2c3[n]cc[n]3ccc21 Amb25036178 [0,0,0,0,2,0|2,0,0]=4 570 B14R3.3046 c1cc2[nH]ccc2c3cc[nH]c31 Amb24085584 [0,0,0,0,2,0|2,0,0]=4 571 B14R3.3046 c1cc2[s]ccc2c3cc[s]c31 Amb25856393 [0,0,0,0,2,0|2,0,0]=4 572 B14R3.3046 c1cc2c(ccc3[s]ccc32)[nH]1 Amb24484084 [0,0,0,0,2,0|2,0,0]=4 573 B14R3.3046 c1cc2c(ccc3occc32)[nH]1 Amb24081691 [0,0,0,0,2,0|2,0,0]=4 574 B14R3.3046 c1cc2c3[n]cc[n]3ccc2[nH]1 Amb25274013 [0,0,0,0,2,0|2,0,0]=4 575 B14R3.3046 c1cc2ccc3ccoc3c2[nH]1 Amb24066350 [0,0,0,0,2,0|1,0,1]=4 576 B14R3.3046 c1cc2occc2c3ccoc31 Amb24092823 [0,0,0,0,2,0|2,0,0]=4 577 B14R3.3046 c1coc2c3ccoc3ccc21 Amb24095682 [0,0,0,0,2,0|2,0,0]=4 578 B14R3.3046 c1occ2c3[n]c[s]c3ccc21 Amb24556110 [0,0,0,0,2,0|2,0,0]=4 579 B14R3.3046 c1occ2c3ccoc3ccc21 Amb24095688 [0,0,0,0,2,0|2,0,0]=4 580 B16R2.172 O=Cc1ccc[n]c1Cc2ccccc2 Amb18812470 [0,0,1,0,0,1|2,0,0]=4 581 B16R2.172 O=Cc1ccc[n]c1Oc2ccccc2 Amb18653007 [0,0,1,0,0,1|2,0,0]=4 582 B16R2.172 O=Cc1ccc[n]c1Sc2c[n]cc[n]2 Amb24384359 [0,0,1,0,0,1|2,0,0]=4 583 B16R2.172 O=Cc1ccccc1Sc2cccc[n]2 Amb25213791 [0,0,1,0,0,1|2,0,0]=4 584 B16R2.172 O=Cc1cccnc1Sc2ccccc2 Amb2421761 [0,0,1,0,0,1|2,0,0]=4 585 B16R2.4062 Cc1ccc[n]c1Sc2[n]cccc2Cl Amb24309120 [0,0,1,0,0,1|1,0,1]=4 586 B16R2.4062 Clc1ccc[n]c1Sc2[n]cccc2Br Amb24389939 [0,0,1,0,0,1|2,0,0]=4 587 B16R2.2256 C(/C=C/c1ccccc1)c2ccccc2 Amb17779632 [0,0,1,0,0,1|2,0,0]=4 588 B16R2.2256 c1[n]cccc1\N=N/Nc2c[n]ccc2 Amb24085413 [0,0,1,0,0,1|2,0,0]=4 589 B16R2.2256 c1ccc(cc1)C\N=C\c2cccnc2 Amb10559477 [0,0,1,0,0,1|1,0,1]=4 590 B18R3.13560 c1ccc/2c(c1)/C=C\c3ccccc3/C=C2 Amb17836865 [0,0,0,0,0,2|2,0,0]=4 591 B18R3.13560 c1cccc2C=Cc3ccccc3C=Cc21 Amb24325468 [0,0,0,0,0,2|2,0,0]=4 592 B18R3.2173 C1C=CCc2ccccc2-c3ccccc31 Amb22356733 [0,0,0,0,0,2|2,0,0]=4