0 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 B(c1cccnc1)(O)O ACT01359 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 B(c1ccncc1)(O)O ACT04727 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 B(c1cncnc1)(O)O ACT05283 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C1CC(CC=C1)C(=O)O ACT12046 [0,0,0,0,0,0|0,0,4]=4 5 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)c1cnccn1 ACT06619 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(=O)c1ncccn1 ACT09814 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 c1cnccc1C(=O)O ACT11785 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,0,0,0,0,0|2,1,0]=3 23 B8R1.2 C#Cc1ccccc1 ACT08960 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.2 C#Cc1ccccn1 ACT09195 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 C#Cc1cccnc1 ACT01363 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.2 C#Cc1ccncc1 ACT01287 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 COc1ccccn1 ACT06584 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 COc1ccncc1 ACT01615 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 c1cc(cnc1)C#N ACT05843 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 c1ccc(cc1)CS ACT06261 [1,0,0,0,0,0|0,1,1]=3 32 B8R1.2 c1ccnc(c1)C#N ACT05842 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 c1cnccc1C#N ACT01368 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 c1cnccc1C=O ACT05935 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 c1cnccc1CO ACT05965 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.13 B(c1ccc(cc1)Br)(O)O ACT04758 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [0,1,0,0,0,0|1,0,1]=3 39 B10R1.13 B(c1ccc(cc1)F)(O)O ACT10993 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.13 B(c1ccc(cc1)N)(O)O ACT11284 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.13 B(c1ccc(cc1)S)(O)O ACT05122 [0,1,0,0,0,0|1,0,1]=3 42 B10R1.13 B(c1ccc(nc1)Br)(O)O ACT05284 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.13 B(c1ccc(nc1)Cl)(O)O ACT05310 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 B(c1ccc(nc1)F)(O)O ACT01457 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] ACT11356 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 Cc1ncc(cn1)C(=O)O ACT03826 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 c1c(ncc(n1)Cl)C(=O)O ACT01751 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,1,0,0,0,0|1,1,0]=3 63 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br ACT01535 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl ACT01504 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 c1cc(nnc1C(=O)O)Cl ACT01792 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.15 C#CC(c1ccccc1)O ACT09707 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.15 COC(=O)c1ccccn1 ACT11786 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.15 COC(=O)c1ccncc1 ACT11792 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl ACT09915 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl ACT08905 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl ACT05673 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.28 c1ccc(cc1)S(=O)(=O)N ACT05670 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] ACT10371 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.61 B(c1ccccc1Cl)(O)O ACT04751 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.61 B(c1ccccc1F)(O)O ACT02197 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.61 B(c1cccnc1F)(O)O ACT01447 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.61 B(c1cnccc1C)(O)O ACT11755 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.61 Cc1cccnc1[N+](=O)[O-] ACT04445 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.61 Cc1ccncc1[N+](=O)[O-] ACT01361 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 Cc1cnccc1[N+](=O)[O-] ACT04433 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br ACT07602 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.61 c1cnc(c(n1)C(=O)O)N ACT01758 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.61 c1cncc(c1O)[N+](=O)[O-] ACT07023 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.113 B(c1cc(cnc1)C)(O)O ACT11754 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.113 B(c1cccc(c1)Cl)(O)O ACT04994 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.113 B(c1cccc(c1)N)(O)O ACT07807 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.113 B(c1ccnc(c1)Cl)(O)O ACT05295 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.113 B(c1ccnc(c1)F)(O)O ACT01451 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.113 CC(=O)c1cccc(n1)Br ACT09764 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] ACT03630 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.113 c1c[nH]c(=O)cc1C(=O)O ACT06893 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] ACT03425 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.113 c1cc(cc(c1)I)C(=O)O ACT00798 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] ACT07619 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.113 c1cc(cc(c1)O)C(=O)O ACT11902 [0,1,0,0,0,0|0,0,0]=1 145 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.113 c1cnc(cc1C(=O)N)N ACT06896 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.113 c1cnc(cc1C(=O)O)Br ACT05488 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.113 c1cnc(cc1C(=O)O)Cl ACT02429 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.113 c1cnc(cc1C(=O)O)N ACT05487 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl ACT06961 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.7 B(c1ccco1)(O)O ACT08404 [0,0,0,0,1,0|2,0,1]=4 154 B8R1.7 B(c1cccs1)(O)O ACT02304 [0,0,0,0,1,0|2,0,1]=4 155 B8R1.7 B(c1ccsc1)(O)O ACT02269 [0,0,0,0,1,0|2,0,1]=4 156 B8R1.7 C1C=C[C@H](N1)C(=O)O ACT02240 [0,0,0,0,1,0|1,0,2]=4 157 B8R1.7 C1COC=C1C(=O)O ACT10735 [0,0,0,0,1,0|1,0,2]=4 158 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [0,0,0,0,1,0|3,0,0]=4 159 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.7 CC(=O)c1ccco1 ACT06495 [0,0,0,0,1,0|2,0,0]=3 161 B8R1.7 CC(=O)c1cccs1 ACT06591 [0,0,0,0,1,0|2,0,0]=3 162 B8R1.7 CC(=O)n1ccnc1 ACT07679 [0,0,0,0,1,0|3,0,0]=4 163 B8R1.7 c1c(cn[nH]1)C(=O)O ACT01768 [0,0,0,0,1,0|2,0,0]=3 164 B8R1.7 c1c[nH]cc1C(=O)O ACT03128 [0,0,0,0,1,0|1,0,0]=2 165 B8R1.7 c1csc(n1)C(=O)O ACT11265 [0,0,0,0,1,0|2,0,0]=3 166 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [0,0,0,0,0,1|1,0,0]=2 169 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [0,0,0,0,0,1|1,0,0]=2 170 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,0,0,0,0,1|1,0,0]=2 171 B7R0.1 CCC=CC=CC=O ACT06050 [1,0,1,0,0,0|0,0,2]=4 172 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|1,0,0]=3 178 B7R1.3 c1ccc(cc1)Br ACT03428 [2,0,0,0,0,0|1,0,0]=3 179 B7R1.3 c1ccc(cc1)I ACT05473 [2,0,0,0,0,0|1,0,0]=3 180 B7R1.3 c1ccc(cc1)P ACT04087 [2,0,0,0,0,0|1,0,0]=3 181 B7R1.3 c1ccnc(c1)Br ACT05539 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.3 c1ccnc(c1)F ACT01456 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 c1ccnc(c1)I ACT09780 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.3 c1ccnc(c1)O ACT08592 [2,0,0,0,0,0|1,0,0]=3 186 B7R1.3 c1ccnc(c1)S ACT05649 [2,0,0,0,0,0|1,1,0]=4 187 B7R1.3 c1cnccc1Br ACT03436 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.3 c1cnccc1Cl ACT01622 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.3 c1cnccc1N ACT05167 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.3 c1cnccc1O ACT05166 [2,0,0,0,0,0|1,0,0]=3 191 B7R1.3 c1cnccc1O ACT09926 [2,0,0,0,0,0|1,0,0]=3 192 B7R1.3 c1cnccc1S ACT05165 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.1 COc1ccc(cc1)Br ACT04984 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [1,1,0,0,0,0|1,0,1]=4 202 B9R1.1 c1cc(ccc1C#N)I ACT08158 [1,1,0,0,0,0|1,0,1]=4 203 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,1,0,0,0,0|0,0,0]=2 204 B9R1.1 c1cc(ccc1CO)N ACT00253 [1,1,0,0,0,0|0,0,1]=3 205 B9R1.1 c1cc(ccc1NN)Br ACT12528 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.1 c1cc(ccc1NN)F ACT08904 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.1 c1cc(ncc1CO)Br ACT07897 [1,1,0,0,0,0|1,0,1]=4 212 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [1,1,0,0,0,0|1,0,1]=4 213 B9R1.2 C#Cc1cccc(c1)N ACT00085 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.2 COc1cccc(c1)Br ACT04958 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.2 COc1cccc(c1)S ACT04985 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.2 Cc1cccc(c1)C#C ACT10255 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.2 Cc1cccc(c1)NN ACT08527 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.2 Cc1cccc(n1)C=O ACT01662 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.2 Cc1cccc(n1)CO ACT07360 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.2 c1c(cncc1Br)C=O ACT01654 [1,1,0,0,0,0|1,0,0]=3 222 B9R1.2 c1c(cncc1Br)CO ACT01585 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.2 c1c(cncc1Cl)CO ACT07609 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [1,1,0,0,0,0|0,0,1]=3 227 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.2 c1cc(nc(c1)Br)C=O ACT01538 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.2 c1cc(nc(c1)Cl)C=O ACT11362 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.2 c1cnc(cc1CO)Br ACT05523 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.8 C=CCc1ccccc1 ACT11557 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.8 CNCc1ccccc1 ACT05529 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.8 CSSc1ccccc1 ACT06218 [1,1,0,0,0,0|1,1,0]=4 241 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,1,0,0,0,0|1,0,1]=4 242 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,1,0,0,0,0|1,0,1]=4 243 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,1,0,0,0,0|0,1,1]=4 244 B9R1.8 c1cnccc1CCO ACT09815 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.15 C#Cc1ccccc1F ACT10250 [1,1,0,0,0,0|1,0,1]=4 246 B9R1.15 COc1ccccc1Br ACT04851 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.15 Cc1ccccc1C#C ACT10245 [1,1,0,0,0,0|1,0,1]=4 248 B9R1.15 Cc1ccccc1NN ACT08523 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,1,0,0,0,0|0,0,1]=3 259 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,1,0,0,0,0|0,0,1]=3 260 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [1,1,0,0,0,0|1,0,0]=3 264 B9R1.15 c1cncc(c1Cl)CO ACT07419 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.11 COC(=O)c1cc[nH]c1 ACT01694 [0,1,0,0,1,0|1,0,0]=3 266 B9R1.11 COC(=O)c1cscn1 ACT08439 [0,1,0,0,1,0|2,0,0]=4 267 B9R1.11 COC(=O)c1nccs1 ACT11267 [0,1,0,0,1,0|2,0,0]=4 268 B9R1.35 CC(=O)c1ccc(s1)Br ACT09817 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.35 Cc1cc([nH]c1)C(=O)O ACT09177 [0,1,0,0,1,0|1,0,0]=3 270 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,1,0,0,1,0|2,0,0]=4 271 B9R1.35 Cc1cnc(s1)C(=O)O ACT11263 [0,1,0,0,1,0|2,0,0]=4 272 B9R1.35 Cc1csc(n1)C(=O)O ACT11260 [0,1,0,0,1,0|2,0,0]=4 273 B9R1.35 c1c(nc([nH]1)C(=O)O)N ACT07266 [0,1,0,0,1,0|2,0,0]=4 274 B9R1.35 c1c(nc(s1)Br)C(=O)O ACT11286 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.35 c1c(sc(n1)Br)C(=O)O ACT08284 [0,1,0,0,1,0|2,0,0]=4 276 B9R1.35 c1cc(oc1C(=O)O)Br ACT11324 [0,1,0,0,1,0|1,0,0]=3 277 B9R1.41 Cc1cc[nH]c1C(=O)O ACT10555 [0,1,0,0,1,0|1,0,0]=3 278 B9R1.41 Cn1ccnc1C(=O)O ACT07511 [0,1,0,0,1,0|2,0,0]=4 279 B9R1.41 Cn1cncc1C(=O)O ACT08098 [0,1,0,0,1,0|2,0,0]=4 280 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,1,0,0,0,1|1,0,0]=3 281 B11R1.20 CC(=O)Nc1ccc(cc1)F ACT09591 [0,1,0,0,0,1|1,0,0]=3 282 B11R1.20 CC(=O)Nc1ccc(cc1)O ACT06727 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.20 c1cc(ccc1CC(=O)O)F ACT00993 [0,1,0,0,0,1|0,0,0]=2 284 B11R1.20 c1cc(ncc1CC(=O)O)Cl ACT01506 [0,1,0,0,0,1|1,0,0]=3 285 B11R1.36 CC(c1ccccc1)C(=O)O ACT06839 [0,1,0,0,0,1|0,0,0]=2 286 B11R1.36 C[C@H](c1ccccc1)C(=O)O ACT10302 [0,1,0,0,0,1|0,0,0]=2 287 B11R1.36 c1ccc(cc1)C(C(=O)O)N ACT07739 [0,1,0,0,0,1|0,0,0]=2 288 B11R1.36 c1ccc(cc1)C(C(=O)O)O ACT11898 [0,1,0,0,0,1|0,0,0]=2 289 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N ACT07779 [0,1,0,0,0,1|0,0,0]=2 290 B11R1.40 c1ccc(cc1)C[C@@H](CO)N ACT02363 [0,1,0,0,0,1|1,0,1]=4 291 B11R1.40 c1ccc(cc1)C[C@H](CO)N ACT03137 [0,1,0,0,0,1|1,0,1]=4 292 B11R1.86 Cc1cccnc1NC(=O)C ACT11134 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O ACT09906 [0,1,0,0,0,1|1,0,0]=3 294 B11R1.157 Cc1ccnc(c1)NC(=O)C ACT06900 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N ACT09874 [0,1,0,0,0,1|1,0,0]=3 296 B11R1.509 c1ccc(cc1)OP(=O)(Cl)Cl ACT03295 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.3 B(c1ccc(cc1)C#N)(O)O ACT11753 [0,2,0,0,0,0|1,0,1]=4 298 B11R1.3 B(c1ccc(cc1)C=O)(O)O ACT02218 [0,2,0,0,0,0|1,0,1]=4 299 B11R1.3 B(c1ccc(cc1)OC)(O)O ACT05293 [0,2,0,0,0,0|1,0,1]=4 300 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.3 c1cc(ccc1C(=O)N)NN ACT09689 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.3 c1cc(ccc1C(=O)O)NN ACT07676 [0,2,0,0,0,0|0,0,0]=2 303 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] ACT11889 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.3 c1cc(ncc1C(=O)O)C#N ACT11748 [0,2,0,0,0,0|1,0,0]=3 305 B11R1.19 CC(C)(c1ccc(cc1)Br)O ACT09221 [0,2,0,0,0,0|1,0,1]=4 306 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl ACT05655 [0,2,0,0,0,0|1,0,1]=4 307 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N ACT05662 [0,2,0,0,0,0|1,0,1]=4 308 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O ACT05254 [0,2,0,0,0,0|1,0,0]=3 309 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] ACT05685 [0,2,0,0,0,0|1,0,1]=4 310 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O ACT04734 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.21 Cc1cc(ccc1F)C(=O)O ACT11820 [0,2,0,0,0,0|0,0,0]=2 312 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] ACT07826 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] ACT06887 [0,2,0,0,0,0|1,0,1]=4 314 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] ACT13388 [0,2,0,0,0,0|1,0,1]=4 315 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O ACT02447 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.21 c1c(cnc(c1Br)O)C(=O)O ACT02449 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O ACT02438 [0,2,0,0,0,0|1,0,0]=3 318 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O ACT02443 [0,2,0,0,0,0|1,0,0]=3 319 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N ACT04896 [0,2,0,0,0,0|0,0,0]=2 320 B11R1.21 c1cc(c(cc1C(=O)O)F)O ACT11803 [0,2,0,0,0,0|0,0,0]=2 321 B11R1.21 c1cc(c(cc1C(=O)O)I)N ACT05411 [0,2,0,0,0,0|0,0,0]=2 322 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F ACT00913 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O ACT03841 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O ACT00645 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Br ACT12593 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F ACT00585 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.22 COC(=O)c1ccc(cc1)I ACT01140 [0,2,0,0,0,0|0,0,0]=2 328 B11R1.22 COC(=O)c1ccc(cn1)Br ACT11225 [0,2,0,0,0,0|1,0,0]=3 329 B11R1.22 COC(=O)c1ccc(cn1)Cl ACT11226 [0,2,0,0,0,0|1,0,0]=3 330 B11R1.22 COC(=O)c1ccc(nc1)N ACT11746 [0,2,0,0,0,0|1,0,0]=3 331 B11R1.22 COC(=O)c1cnc(cn1)Cl ACT01750 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.22 COC(=O)c1cnc(cn1)O ACT11003 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.22 Cc1ccc(cn1)C(=O)OC ACT02408 [0,2,0,0,0,0|1,0,0]=3 334 B11R1.22 c1cc(ccc1C(=O)CBr)N ACT09355 [0,2,0,0,0,0|1,0,0]=3 335 B11R1.22 c1cc(ccc1C(CO)O)Br ACT11166 [0,2,0,0,0,0|0,0,2]=4 336 B11R1.166 B(c1ccc(cc1C)C)(O)O ACT11760 [0,2,0,0,0,0|1,0,1]=4 337 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O ACT11757 [0,2,0,0,0,0|1,0,1]=4 338 B11R1.166 B(c1ccc(cc1Cl)F)(O)O ACT07841 [0,2,0,0,0,0|1,0,1]=4 339 B11R1.166 B(c1ccc(cc1F)Cl)(O)O ACT07306 [0,2,0,0,0,0|1,0,1]=4 340 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [0,2,0,0,0,0|1,0,0]=3 342 B11R1.166 Cc1cc(cnc1C(=O)O)Br ACT11061 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,2,0,0,0,0|0,0,0]=2 344 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] ACT13391 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O ACT06647 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O ACT06647 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [0,2,0,0,0,0|0,0,0]=2 348 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [0,2,0,0,0,0|0,0,0]=2 349 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] ACT00711 [0,2,0,0,0,0|1,0,1]=4 350 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,2,0,0,0,0|0,0,0]=2 351 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [0,2,0,0,0,0|0,0,0]=2 352 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br ACT11215 [0,2,0,0,0,0|1,0,0]=3 353 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl ACT02420 [0,2,0,0,0,0|1,0,0]=3 354 B11R1.7 C=CS(=O)(=O)c1ccccc1 ACT02701 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.7 CC(C#C)(c1ccccc1)O ACT08085 [0,2,0,0,0,0|1,0,1]=4 356 B11R1.16 CCOC(=O)c1ccccn1 ACT11795 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.16 CCOC(=O)c1cccnc1 ACT11796 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.16 CCOC(=O)c1ccncc1 ACT11797 [0,2,0,0,0,0|1,0,0]=3 359 B11R1.16 c1ccc(cc1)C(CCCl)O ACT09179 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.23 CNC(=O)c1cc(ccn1)Cl ACT10128 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.23 COC(=O)c1cc(ccn1)Cl ACT01621 [0,2,0,0,0,0|1,0,0]=3 362 B11R1.23 COC(=O)c1cc(cnc1)O ACT06879 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.23 COC(=O)c1cccc(n1)Cl ACT03638 [0,2,0,0,0,0|1,0,0]=3 364 B11R1.23 COC(=O)c1ccnc(c1)N ACT02424 [0,2,0,0,0,0|1,0,0]=3 365 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO ACT00879 [0,2,0,0,0,0|0,0,0]=2 366 B11R1.23 c1cc(cc(c1)Cl)\C(=N\O)\N ACT05185 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.222 CCC(=O)c1ccccc1Cl ACT09952 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.222 COC(=O)c1c(nccn1)N ACT01741 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.222 COC(=O)c1ccccc1I ACT05425 [0,2,0,0,0,0|0,0,0]=2 370 B11R1.222 COC(=O)c1cccnc1N ACT04509 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.222 COC(=O)c1ccncc1I ACT11933 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.222 COC(=O)c1ccncc1N ACT02409 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.222 COC(=O)c1ccncc1O ACT11741 [0,2,0,0,0,0|1,0,0]=3 374 B11R1.222 COC(=O)c1cnccc1O ACT06909 [0,2,0,0,0,0|1,0,0]=3 375 B11R1.222 Cc1ccncc1C(=O)OC ACT03786 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl ACT00383 [0,2,0,0,0,0|1,0,0]=3 377 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05663 [0,2,0,0,0,0|1,0,1]=4 378 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05667 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.53 B(c1ccccc1C=O)(O)O ACT04732 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.53 CCc1ccccc1C(=O)O ACT08461 [0,2,0,0,0,0|0,0,0]=2 381 B11R1.53 COc1ccccc1[N+](=O)[O-] ACT10571 [0,2,0,0,0,0|1,0,1]=4 382 B11R1.53 COc1cnccc1C(=O)O ACT01562 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.53 c1ccc(c(c1)C(=O)O)NN ACT08237 [0,2,0,0,0,0|0,0,0]=2 384 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl ACT04607 [0,2,0,0,0,0|1,0,1]=4 385 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)Cl ACT11249 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.156 c1c(c(c(cn1)F)C(=O)O)F ACT11246 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])F ACT00337 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl ACT11222 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl ACT11247 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl ACT11319 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.159 Cc1c(cccc1F)C(=O)O ACT11807 [0,2,0,0,0,0|0,0,0]=2 392 B11R1.159 Cc1cccc(c1F)C(=O)O ACT11815 [0,2,0,0,0,0|0,0,0]=2 393 B11R1.159 Cc1cccc(c1N)C(=O)O ACT12122 [0,2,0,0,0,0|0,0,0]=2 394 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] ACT05413 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O ACT04927 [0,2,0,0,0,0|0,0,0]=2 396 B11R1.159 c1cc(c(c(c1)F)Br)[N+](=O)[O-] ACT00699 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O ACT11810 [0,2,0,0,0,0|0,0,0]=2 398 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O ACT00442 [0,2,0,0,0,0|0,0,0]=2 399 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O ACT09442 [0,2,0,0,0,0|0,0,0]=2 400 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl ACT11231 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.159 c1cnc(c(c1C(=O)O)F)F ACT11232 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.167 B(c1cc(ccc1Cl)F)(O)O ACT11075 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.167 B(c1cc(ccc1F)Cl)(O)O ACT07952 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.167 CC(=O)c1cc(ccc1O)Br ACT06775 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.167 CC(=O)c1cc(ccc1O)F ACT08250 [0,2,0,0,0,0|1,0,0]=3 406 B11R1.167 CC(=O)c1cc(cnc1F)Br ACT07318 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br ACT11818 [0,2,0,0,0,0|0,0,0]=2 408 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F ACT13393 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O ACT07487 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O ACT05336 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Cl ACT11750 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br ACT04481 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl ACT02418 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.167 c1c(cnc(c1C(=O)O)O)Br ACT04508 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl ACT04472 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.167 c1cc(c(cc1Br)C(=O)O)I ACT12149 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F ACT00335 [0,2,0,0,0,0|1,0,1]=4 418 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N ACT00158 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O ACT04605 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.167 c1cc(c(cc1F)C(=O)O)Br ACT11942 [0,2,0,0,0,0|0,0,0]=2 421 B11R1.167 c1cc(c(cc1F)C(=O)O)O ACT01103 [0,2,0,0,0,0|0,0,0]=2 422 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Br ACT07607 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl ACT07777 [0,2,0,0,0,0|0,0,0]=2 424 B11R1.167 c1cc(c(cc1I)C(=O)O)F ACT12020 [0,2,0,0,0,0|0,0,0]=2 425 B11R1.167 c1cc(c(cc1I)C(=O)O)N ACT00517 [0,2,0,0,0,0|0,0,0]=2 426 B11R1.167 c1cc(c(cc1O)C(=O)O)F ACT11811 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N ACT07484 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.74 B(c1cc(cc(c1)Cl)Cl)(O)O ACT11040 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O ACT11806 [0,2,0,0,0,0|0,0,0]=2 430 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O ACT11217 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O ACT07345 [0,2,0,0,0,0|0,0,0]=2 432 B11R1.74 c1c(cc(cc1F)Br)[N+](=O)[O-] ACT04620 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.74 c1c(cc(cc1N)N)C(=O)O ACT05330 [0,2,0,0,0,0|0,0,0]=2 434 B11R1.74 c1c(cc(cc1O)O)C(=O)N ACT05047 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl ACT05036 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O ACT02421 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.74 c1c(cc(nc1O)O)C(=O)O ACT11903 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.266 B(c1cccc(c1)C=O)(O)O ACT04731 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.266 B(c1cccc(c1)OC)(O)O ACT05028 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.266 CC(=O)c1cccc(c1)CCl ACT00880 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.266 CC(=O)c1cccc(n1)OC ACT09231 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.266 COc1cc(ccn1)C(=O)O ACT02425 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.266 COc1cccc(n1)C(=O)O ACT11350 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.266 c1cc(cc(c1)NN)C(=O)O ACT03011 [0,2,0,0,0,0|0,0,0]=2 445 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN ACT03971 [0,2,0,0,0,0|1,0,1]=4 446 B11R1.266 c1cnc(cc1C(=O)O)C#N ACT11016 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.13 c1c[nH]cc1CC(=O)O ACT10465 [0,0,1,1,0,0|1,0,1]=4 448 B11R2.10 CC1Cc2ccccc2O1 ACT04628 [0,0,0,1,0,1|1,0,1]=4 449 B11R2.10 c1ccc2c(c1)CC(=C2)Br ACT10966 [0,0,0,1,0,1|2,0,0]=4 450 B11R2.34 c1cc(ccc1C2CO2)Br ACT09536 [0,1,0,1,0,0|1,0,1]=4 451 B11R2.1 c1cc2c(nc1)COC2=O ACT04440 [0,1,0,1,0,0|1,0,0]=3 452 B11R2.1 c1ccc2c(c1)nnn2O ACT09417 [0,1,0,1,0,0|2,0,0]=4 453 B11R2.1 c1ccn2c(c1)n[nH]c2=O ACT03755 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [1,0,0,0,1,0|2,0,0]=4 455 B7R1.1 c1cc([nH]c1)C=O ACT05084 [1,0,0,0,1,0|1,0,0]=3 456 B7R1.1 c1cc(oc1)CO ACT06575 [1,0,0,0,1,0|1,0,1]=4 457 B7R1.1 c1cscc1C=O ACT02286 [1,0,0,0,1,0|1,0,0]=3 458 B7R1.1 c1cscc1CO ACT10114 [1,0,0,0,1,0|1,0,1]=4 459 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACT07844 [0,0,0,0,0,2|1,0,0]=3 460 B11R1.91 c1ccc(cc1)COC(=O)Cl ACT05249 [0,0,0,0,0,2|1,0,0]=3