0 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 B(c1cccnc1)(O)O ACT01359 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 B(c1cncnc1)(O)O ACT05283 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)c1cnccn1 ACT06619 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)c1ncccn1 ACT09814 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,0,0,0,0,0|0,1,0]=1 13 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 c1cnccc1C(=O)O ACT11785 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.2 C#Cc1ccccc1 ACT08960 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 C#Cc1cccnc1 ACT01363 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 COc1cnccn1 ACT06613 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 CSc1cnccn1 ACT01756 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 c1cc(cnc1)C#N ACT05843 [1,0,0,0,0,0|0,0,2]=3 25 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,0,0,0,0,0|0,0,0]=1 26 B8R1.2 c1ccc(cc1)CS ACT06261 [1,0,0,0,0,0|1,1,1]=4 27 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 c1cnc(cn1)C#N ACT11023 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.2 c1cnc(cn1)CN ACT11863 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.2 c1cnc(cn1)NN ACT08309 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 c1cnccc1C=O ACT05935 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 B(c1ccc(nc1)Br)(O)O ACT05284 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.13 B(c1ccc(nc1)Cl)(O)O ACT05310 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.13 B(c1ccc(nc1)F)(O)O ACT01457 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] ACT11356 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.13 Cc1ncc(cn1)C(=O)O ACT03826 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 c1c(cnc(n1)N)[N+](=O)[O-] ACT10093 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 c1c(cnc(n1)N)[N+](=O)[O-] ACT10093 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.13 c1c(cnc(n1)O)[N+](=O)[O-] ACT06641 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.13 c1c(ncc(n1)Cl)C(=O)O ACT01751 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,1,0,0,0,0|1,1,0]=3 54 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [0,1,0,0,0,0|0,0,0]=1 58 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br ACT01535 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl ACT01504 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 c1cc(nnc1C(=O)O)Cl ACT01792 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.15 COC(=O)c1ccccn1 ACT11786 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.15 COC(=O)c1ccncc1 ACT11792 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [0,1,0,0,0,0|1,0,2]=4 72 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [0,1,0,0,0,0|1,0,1]=3 73 B10R1.28 CC(C)(c1cccnc1)N ACT10766 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl ACT09915 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl ACT08905 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl ACT05673 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.28 c1ccc(cc1)S(=O)(=O)N ACT05670 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] ACT10371 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.61 B(c1cccnc1F)(O)O ACT01447 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.61 B(c1cnccc1C)(O)O ACT11755 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.61 Cc1ccncc1[N+](=O)[O-] ACT01361 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br ACT07602 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.61 c1cnc(c(n1)C(=O)O)N ACT01758 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 c1cncc(c1O)[N+](=O)[O-] ACT07023 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.113 B(c1cc(cnc1)C)(O)O ACT11754 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.113 CC(=O)c1cccc(n1)Br ACT09764 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.113 c1c[nH]c(=O)cc1C(=O)O ACT06893 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] ACT03425 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.113 c1cc(cc(c1)I)C(=O)O ACT00798 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] ACT07619 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.113 c1cc(cc(c1)O)C(=O)O ACT11902 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.113 c1cnc(cc1C(=O)N)N ACT06896 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.113 c1cnc(cc1C(=O)O)Br ACT05488 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.113 c1cnc(cc1C(=O)O)Cl ACT02429 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.113 c1cnc(cc1C(=O)O)N ACT05487 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [0,0,0,0,1,0|2,0,0]=3 135 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [0,0,0,0,1,0|1,0,1]=3 136 B8R1.7 CC(=O)c1ccco1 ACT06495 [0,0,0,0,1,0|2,0,0]=3 137 B8R1.7 CC(=O)c1cccs1 ACT06591 [0,0,0,0,1,0|2,0,0]=3 138 B8R1.7 CC(=O)c1cnns1 ACT08408 [0,0,0,0,1,0|3,0,0]=4 139 B8R1.7 CC(=O)n1ccnc1 ACT07679 [0,0,0,0,1,0|2,0,0]=3 140 B8R1.7 c1c(cn[nH]1)C(=O)O ACT01768 [0,0,0,0,1,0|2,0,0]=3 141 B8R1.7 c1c[nH]cc1C(=O)O ACT03128 [0,0,0,0,1,0|1,0,1]=3 142 B8R1.7 c1csc(n1)C(=O)O ACT11265 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [0,0,0,0,0,1|1,0,0]=2 146 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [0,0,0,0,0,1|1,0,0]=2 147 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,0,0,0,0,1|3,0,0]=4 148 B7R0.1 CCC=CC=CC=O ACT06050 [1,0,1,0,0,0|1,0,1]=4 149 B7R1.3 Cc1cnccn1 ACT06608 [2,0,0,0,0,0|1,0,1]=4 150 B7R1.3 Cc1cncnc1 ACT01372 [2,0,0,0,0,0|1,0,1]=4 151 B7R1.3 c1c(cncn1)Br ACT01658 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.3 c1c(cncn1)Cl ACT01272 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [2,0,0,0,0,0|1,0,0]=3 154 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|1,0,0]=3 155 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|1,0,0]=3 156 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|1,0,0]=3 157 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|0,0,0]=2 158 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|0,0,1]=3 159 B7R1.3 c1ccc(cc1)Br ACT03428 [2,0,0,0,0,0|2,0,0]=4 160 B7R1.3 c1ccc(cc1)I ACT05473 [2,0,0,0,0,0|2,0,0]=4 161 B7R1.3 c1ccc(cc1)P ACT04087 [2,0,0,0,0,0|1,1,0]=4 162 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.3 c1cnc(cn1)Br ACT01757 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.3 c1cnc(cn1)Cl ACT11007 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.3 c1cnc(cn1)N ACT01748 [2,0,0,0,0,0|1,0,0]=3 166 B7R1.3 c1cnc(cn1)S ACT06620 [2,0,0,0,0,0|1,1,0]=4 167 B7R1.3 c1cnccc1N ACT05167 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [1,1,0,0,0,0|0,0,0]=2 171 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.1 c1cc(ccc1NN)Br ACT12528 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.1 c1cc(ccc1NN)F ACT08904 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [1,1,0,0,0,0|0,0,2]=4 177 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [1,1,0,0,0,0|0,0,2]=4 178 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [1,1,0,0,0,0|0,0,0]=2 179 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [1,1,0,0,0,0|0,0,0]=2 180 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [1,1,0,0,0,0|1,0,1]=4 181 B9R1.1 c1cc(ncc1CO)Br ACT07897 [1,1,0,0,0,0|0,0,2]=4 182 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [1,1,0,0,0,0|0,0,2]=4 183 B9R1.2 C#Cc1cc(cnc1)Cl ACT09548 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.2 COc1cc(cnc1)Br ACT10406 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.2 Cc1cccc(c1)NN ACT08527 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.2 Cc1cccc(n1)C=O ACT01662 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.2 c1c(cncc1Br)C=O ACT01654 [1,1,0,0,0,0|0,0,0]=2 189 B9R1.2 c1c(cncc1Br)CO ACT01585 [1,1,0,0,0,0|0,0,2]=4 190 B9R1.2 c1c(cncc1Cl)CO ACT07609 [1,1,0,0,0,0|0,0,2]=4 191 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [1,1,0,0,0,0|0,0,2]=4 192 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.2 c1cc(nc(c1)Br)C=O ACT01538 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.2 c1cc(nc(c1)Cl)C=O ACT11362 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.8 C=CCc1ccccc1 ACT11557 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.8 CNCc1ccccc1 ACT05529 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,1,0,0,0,0|0,0,1]=3 200 B9R1.15 Cc1ccccc1NN ACT08523 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [1,1,0,0,0,0|0,0,0]=2 202 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [1,1,0,0,0,0|0,0,1]=3 203 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [1,1,0,0,0,0|0,0,2]=4 204 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [1,1,0,0,0,0|0,0,0]=2 205 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [1,1,0,0,0,0|0,0,2]=4 206 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,1,0,0,0,0|1,0,1]=4 207 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.15 c1cncc(c1Cl)C#N ACT01618 [1,1,0,0,0,0|0,0,2]=4 212 B9R1.15 c1cncc(c1Cl)CO ACT07419 [1,1,0,0,0,0|0,0,2]=4 213 B9R1.11 COC(=O)c1cc[nH]c1 ACT01694 [0,1,0,0,1,0|1,0,1]=4 214 B9R1.11 COC(=O)c1cscn1 ACT08439 [0,1,0,0,1,0|2,0,0]=4 215 B9R1.11 COC(=O)c1nccs1 ACT11267 [0,1,0,0,1,0|2,0,0]=4 216 B9R1.19 c1cc(sc1)S(=O)(=O)N ACT04494 [0,1,0,0,1,0|2,0,0]=4 217 B9R1.35 CC(=O)c1ccc(s1)Br ACT09817 [0,1,0,0,1,0|2,0,0]=4 218 B9R1.35 Cc1cc([nH]c1)C(=O)O ACT09177 [0,1,0,0,1,0|1,0,1]=4 219 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,1,0,0,1,0|2,0,0]=4 220 B9R1.35 Cc1cnc(s1)C(=O)O ACT11263 [0,1,0,0,1,0|2,0,0]=4 221 B9R1.35 Cc1csc(n1)C(=O)O ACT11260 [0,1,0,0,1,0|2,0,0]=4 222 B9R1.35 Cn1cc(nc1)C(=O)N ACT07161 [0,1,0,0,1,0|1,0,0]=3 223 B9R1.35 c1c(nc([nH]1)C(=O)O)N ACT07266 [0,1,0,0,1,0|2,0,0]=4 224 B9R1.35 c1c(nc(s1)Br)C(=O)O ACT11286 [0,1,0,0,1,0|2,0,0]=4 225 B9R1.35 c1c(sc(n1)Br)C(=O)O ACT08284 [0,1,0,0,1,0|2,0,0]=4 226 B9R1.35 c1cc(oc1C(=O)O)Br ACT11324 [0,1,0,0,1,0|2,0,0]=4 227 B9R1.41 Cc1cc[nH]c1C(=O)O ACT10555 [0,1,0,0,1,0|1,0,1]=4 228 B9R1.41 Cn1ccnc1C(=O)O ACT07511 [0,1,0,0,1,0|2,0,0]=4 229 B9R1.41 Cn1cncc1C(=O)O ACT08098 [0,1,0,0,1,0|2,0,0]=4 230 B9R1.41 c1[nH]c(c(n1)C(=O)N)N ACT02020 [0,1,0,0,1,0|1,0,0]=3 231 B9R1.41 c1[nH]c(c(n1)C(=O)N)O ACT08382 [0,1,0,0,1,0|1,0,0]=3 232 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.20 CC(=O)Nc1ccc(cc1)F ACT09591 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.20 CC(=O)Nc1ccc(cc1)O ACT06727 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.20 c1cc(ccc1CC(=O)O)F ACT00993 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.20 c1cc(ncc1CC(=O)O)Cl ACT01506 [0,1,0,0,0,1|1,0,0]=3 237 B11R1.36 CC(c1ccccc1)C(=O)O ACT06839 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.36 C[C@H](c1ccccc1)C(=O)O ACT10302 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.36 c1ccc(cc1)C(C(=O)O)N ACT07739 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.36 c1ccc(cc1)C(C(=O)O)O ACT11898 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N ACT07779 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O ACT09906 [0,1,0,0,0,1|1,0,0]=3 243 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N ACT09874 [0,1,0,0,0,1|1,0,0]=3 244 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.3 c1cc(ccc1C(=O)N)NN ACT09689 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.3 c1cc(ccc1C(=O)O)NN ACT07676 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.3 c1cc(ncc1C(=O)O)C#N ACT11748 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N ACT05662 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.21 Cc1cc(ccc1F)C(=O)O ACT11820 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.21 Cc1cc(cnc1Br)[N+](=O)[O-] ACT05815 [0,2,0,0,0,0|2,0,0]=4 251 B11R1.21 Cc1cc(cnc1N)[N+](=O)[O-] ACT05817 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O ACT02447 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.21 c1c(cnc(c1Br)Cl)[N+](=O)[O-] ACT08317 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.21 c1c(cnc(c1Br)O)C(=O)O ACT02449 [0,2,0,0,0,0|1,0,0]=3 255 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O ACT02438 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O ACT02443 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N ACT04896 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.21 c1cc(c(cc1C(=O)O)F)O ACT11803 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.21 c1cc(c(cc1C(=O)O)I)N ACT05411 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.22 COC(=O)c1ccc(cc1)I ACT01140 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.22 COC(=O)c1ccc(nc1)N ACT11746 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.22 COC(=O)c1cnc(cn1)Cl ACT01750 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.22 COC(=O)c1cnc(cn1)O ACT11003 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.22 Cc1ccc(cn1)C(=O)OC ACT02408 [0,2,0,0,0,0|1,0,0]=3 265 B11R1.22 c1cc(ccc1C(=O)CBr)N ACT09355 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] ACT09122 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Br ACT01532 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] ACT08276 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])Cl ACT09736 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)Cl ACT04460 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)N ACT04462 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br ACT11215 [0,2,0,0,0,0|1,0,0]=3 280 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl ACT02420 [0,2,0,0,0,0|1,0,0]=3 281 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Cl)Cl ACT05525 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.16 CCOC(=O)c1cccnc1 ACT11796 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.23 CNC(=O)c1cc(ccn1)Cl ACT10128 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.23 COC(=O)c1cc(cnc1)O ACT06879 [0,2,0,0,0,0|1,0,0]=3 285 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO ACT00879 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.23 c1cc(cc(c1)Cl)\C(=N\O)\N ACT05185 [0,2,0,0,0,0|1,0,1]=4 287 B11R1.222 CCC(=O)c1ccccc1Cl ACT09952 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.222 COC(=O)c1c(nccn1)N ACT01741 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.222 COC(=O)c1ccccc1I ACT05425 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.222 COC(=O)c1cccnc1N ACT04509 [0,2,0,0,0,0|1,0,0]=3 291 B11R1.222 COC(=O)c1cnccc1O ACT06909 [0,2,0,0,0,0|1,0,0]=3 292 B11R1.222 Cc1ccncc1C(=O)OC ACT03786 [0,2,0,0,0,0|1,0,0]=3 293 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl ACT00383 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05663 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05667 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.53 CCc1ccccc1C(=O)O ACT08461 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.53 c1ccc(c(c1)C(=O)O)NN ACT08237 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl ACT11222 [0,2,0,0,0,0|1,0,0]=3 299 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl ACT11247 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl ACT11319 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.159 Cc1c(cccc1F)C(=O)O ACT11807 [0,2,0,0,0,0|2,0,0]=4 302 B11R1.159 Cc1cccc(c1F)C(=O)O ACT11815 [0,2,0,0,0,0|2,0,0]=4 303 B11R1.159 Cc1cccc(c1N)C(=O)O ACT12122 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O ACT04927 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O ACT11810 [0,2,0,0,0,0|2,0,0]=4 306 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O ACT00442 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O ACT09442 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.167 CC(=O)c1cc(ccc1O)Br ACT06775 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.167 CC(=O)c1cc(ccc1O)F ACT08250 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.167 CC(=O)c1cc(cnc1F)Br ACT07318 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br ACT11818 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Cl ACT11750 [0,2,0,0,0,0|0,0,0]=2 313 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br ACT04481 [0,2,0,0,0,0|1,0,0]=3 314 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl ACT02418 [0,2,0,0,0,0|1,0,0]=3 315 B11R1.167 c1c(cnc(c1C(=O)O)O)Br ACT04508 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl ACT04472 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Br ACT05332 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.167 c1cc(c(cc1Br)C(=O)O)I ACT12149 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.167 c1cc(c(cc1F)C(=O)O)Br ACT11942 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.167 c1cc(c(cc1F)C(=O)O)O ACT01103 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl ACT07777 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.167 c1cc(c(cc1I)C(=O)O)F ACT12020 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.167 c1cc(c(cc1I)C(=O)O)N ACT00517 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.167 c1cc(c(cc1O)C(=O)O)F ACT11811 [0,2,0,0,0,0|2,0,0]=4 325 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O ACT11806 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O ACT07345 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.74 c1c(cc(cc1N)N)C(=O)O ACT05330 [0,2,0,0,0,0|2,0,0]=4 328 B11R1.74 c1c(cc(cc1O)O)C(=O)N ACT05047 [0,2,0,0,0,0|1,0,0]=3 329 B11R1.266 CC(=O)c1cccc(c1)CCl ACT00880 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.266 c1cc(cc(c1)NN)C(=O)O ACT03011 [0,2,0,0,0,0|2,0,0]=4 331 B11R2.1 c1cc2c(c[nH]c2nc1)Br ACT06503 [0,1,0,1,0,0|1,0,0]=3 332 B11R2.1 c1cc2c(nc1)COC2=O ACT04440 [0,1,0,1,0,0|1,0,0]=3 333 B11R2.1 c1ccn2c(c1)n[nH]c2=O ACT03755 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [1,0,0,0,1,0|1,0,0]=3 335 B7R1.1 c1cc([nH]c1)C=O ACT05084 [1,0,0,0,1,0|0,0,1]=3 336 B7R1.1 c1cscc1C=O ACT02286 [1,0,0,0,1,0|1,0,0]=3 337 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACT07844 [0,0,0,0,0,2|1,0,0]=3 338 B11R1.91 c1ccc(cc1)COC(=O)Cl ACT05249 [0,0,0,0,0,2|2,0,0]=4