0 B11R1.167 B(c1cc(ccc1C)C)(O)O AB10384 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.167 B(c1cc(ccc1Cl)C)(O)O AB26401 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.167 B(c1cc(ccc1F)C)(O)O AB15421 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.167 B(c1cc(ccc1O)Br)(O)O AB03340 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.167 CC(=O)c1c(ccc(n1)Br)N AB77136 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F AB74842 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.167 CC(=O)c1c(ccc(n1)Cl)N AB74616 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.167 CC(=O)c1c(ccc(n1)F)N AB77157 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.167 CC(=O)c1c(ncc(n1)Br)N AB72516 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.167 CC(=O)c1c(ncc(n1)Cl)Cl AB85729 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 CC(=O)c1c(ncc(n1)Cl)N AB72517 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.167 CC(=O)c1cc(cnc1Cl)Br PB27914 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.167 CC(=O)c1cc(cnc1Cl)F AB70474 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.167 CC(=O)c1cc(cnc1F)Br AB65212 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.167 CC(=O)c1cc(cnc1F)Cl AB71956 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.167 CC(=O)c1cc(cnc1N)Br AB69719 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.167 CC(=O)c1cc(cnc1N)Cl AB69717 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.167 CC(=O)c1cc(cnc1N)N AB83829 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.167 CC(=O)c1cc(ncc1F)Cl AB72293 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.167 CC(=O)c1cc(ncc1N)Br AB83784 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.167 CC(=O)c1cc(ncc1N)Cl AB76450 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.167 CC(=O)c1cc(ncc1N)N AB83787 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.167 CC(=O)c1cc(ncc1O)Br AB69693 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.167 CC(=O)c1cc(ncc1O)Cl AB69292 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.167 CC(=O)c1cc(ncc1O)N AB84159 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.167 CC(=O)c1cc(nnc1Cl)Cl AB76970 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.167 Cc1cc(c(cn1)N)C(=O)C AB83789 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,0,0,0,0,0|1,0,0]=1 65 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,0,0,0,0,0|2,0,0]=2 74 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.167 Cc1cc(c(nc1)N)[N+](=O)[O-] AB02050 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,0,0,0,0,0|1,0,0]=1 77 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.167 Cc1cc(c(nc1)O)[N+](=O)[O-] AB10657 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,0,0,0,0,0|1,0,0]=1 80 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [0,0,0,0,0,0|1,0,1]=2 81 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F AB00831 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N AB00900 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.167 Cc1ccc(c(n1)C(=O)C)N AB42557 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,0,0,0,0,0|1,0,0]=1 86 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.167 Cc1ccc(cc1C(=N)N)F AB18355 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [0,0,0,0,0,0|3,0,1]=4 93 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br AB01864 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.167 Cc1cnc(cc1C(=O)C)Cl AB75136 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.167 Cc1cnc(cc1C(=O)C)F AB82867 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br PB33896 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.167 c1c(c(nnc1Cl)O)C(=O)O AB66294 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,0,0,0,0,0|4,0,0]=4 133 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,0,0,0,0,0|4,0,0]=4 134 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,0,0,0,0,0|4,0,0]=4 135 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl AB03464 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)I PB17637 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.167 c1c(nc(c(n1)O)C(=O)N)F PB25591 [0,0,0,0,0,0|4,0,0]=4 141 B11R1.167 c1c(nc(c(n1)O)C(=O)O)Br AB72520 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.167 c1cc(c(cc1Br)C(=N)N)F AB18339 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.167 c1cc(c(cc1Cl)C(=N)N)F AB21302 [0,0,0,0,0,0|4,0,0]=4 146 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,0,0,0,0,0|3,0,0]=3 147 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])F MB00527 [0,0,0,0,0,0|4,0,0]=4 148 B11R1.167 c1cc(c(cc1F)C(=N)N)F AB18322 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,0,0,0,0,0|2,0,0]=2 153 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,0,0,0,0,0|3,0,0]=3 163 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [0,0,0,0,0,0|4,0,0]=4 165 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl PB16164 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br AB50069 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,0,0,0,0,0|1,0,1]=3 180 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,0,0,0,0,0|0,0,1]=2 181 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,0,0,0,0,0|1,0,1]=3 182 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,0,0,0,0,0|1,0,1]=3 183 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,0,0,0,0,0|1,0,1]=3 184 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.30 COc1cc(ccc1F)O MB08744 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.30 COc1cc(ccc1I)O MB29625 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.30 COc1cc(ccc1N)F MB00562 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.30 COc1cc(ccc1N)O MB01122 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.30 COc1cc(ccc1O)I MB05217 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.30 Cc1cc(c(cn1)Br)C=O AB68164 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.30 Cc1cc(c(cn1)C)C=O AB74126 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.30 Cc1cc(c(cn1)Cl)C=O AB68146 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.30 Cc1cc(c(cn1)N)C=O AB83642 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [1,0,0,0,0,0|1,0,0]=2 218 B10R1.30 Cc1cc(c(nc1)Br)C=O AB71097 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.30 Cc1cc(c(nc1)Cl)C=O AB41813 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.30 Cc1cc(c(nc1)F)C=O AB65261 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.30 Cc1cc(c(nc1)N)C=O AB51533 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.30 Cc1cc(c(nc1)O)C#N AB64064 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [1,0,0,0,0,0|1,0,0]=2 225 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [1,0,0,0,0,0|1,0,1]=3 226 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [1,0,0,0,0,0|1,0,0]=2 227 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,0,0,0,0,0|1,0,0]=2 228 B10R1.30 Cc1ccc(c(n1)C=O)Br AB68163 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.30 Cc1ccc(c(n1)C=O)Cl AB68143 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.30 Cc1ccc(c(n1)C=O)N AB76244 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [1,0,0,0,0,0|1,0,0]=2 232 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [1,0,0,0,0,0|2,0,0]=3 234 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.30 Cc1cnc(cc1C=O)Cl AB67498 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.30 Cc1cnc(cc1C=O)F AB71344 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.30 c1c(c(cnc1Br)Br)C=O AB56403 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.30 c1c(c(cnc1Br)Cl)C=O AB54689 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.30 c1c(c(cnc1Br)F)C=O AB52575 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.30 c1c(c(cnc1Br)N)C=O AB76683 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.30 c1c(c(cnc1Cl)Br)C=O PB13444 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.30 c1c(c(cnc1Cl)Cl)C=O AB24822 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.30 c1c(c(cnc1Cl)F)C=O AB20993 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.30 c1c(c(cnc1Cl)N)C=O AB64790 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.30 c1c(c(cnc1N)Br)C=O AB66638 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.30 c1c(c(cnc1N)Cl)C=O AB72352 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.30 c1c(c(cnc1N)F)C=O AB72351 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.30 c1c(c(cnc1N)N)C=O AB76707 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.30 c1c(cnc(c1C=O)Br)F AB70943 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.30 c1c(cnc(c1C=O)Cl)Br PB20287 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.30 c1c(cnc(c1C=O)Cl)F AB13605 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.30 c1c(cnc(c1C=O)F)Br PB29718 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.30 c1c(cnc(c1C=O)F)Cl AB20969 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.30 c1c(cnc(c1C=O)N)Br AB50973 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.30 c1c(cnc(c1C=O)N)Cl AB58421 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.30 c1c(cnc(c1C=O)N)F AB70294 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,0,0,0,0,0|2,0,1]=4 272 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,0,0,0,0,0|1,0,0]=2 273 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,0,0,0,0,0|2,0,1]=4 274 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [1,0,0,0,0,0|2,0,1]=4 275 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,0,0,0,0,0|2,0,1]=4 278 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,0,0,0,0,0|1,0,0]=2 282 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,0,0,0,0,0|2,0,1]=4 283 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [1,0,0,0,0,0|2,0,0]=3 287 B10R1.30 c1cc(nc(c1Br)C=O)Cl AB68225 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.30 c1cc(nc(c1Cl)C=O)Br AB68236 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.30 c1cc(nc(c1Cl)C=O)Cl AB66502 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.30 c1cc(nc(c1F)C=O)Br PB23527 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.30 c1cc(nc(c1F)C=O)Cl AB20968 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.30 c1cc(nc(c1N)C=O)Br AB83719 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.30 c1cc(nc(c1N)C=O)Cl AB76329 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.30 c1cc(nc(c1N)C=O)N AB83733 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.61 B(c1ccccc1O)(O)O AB08053 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.61 CC(=O)c1cccnc1Br AB18171 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.61 CC(=O)c1cccnc1F AB41104 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.61 CC(=O)c1cccnc1N AB11689 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.61 CC(=O)c1ccncc1Br PB12099 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.61 CC(=O)c1ccncc1F PB22036 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.61 CC(=O)c1ccncc1N AB41121 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.61 CC(=O)c1cnccc1Br AB64732 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.61 CC(=O)c1cnccc1F AB41107 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,0,0,0,0,0|2,0,1]=4 315 B10R1.61 CC(C)c1ccncc1O MB22678 [1,0,0,0,0,0|2,0,1]=4 316 B10R1.61 CC(C)c1cnccc1O MB22684 [1,0,0,0,0,0|2,0,1]=4 317 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.61 CN(C)c1ccccc1O MB08302 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.61 CN(C)c1ccncc1O MB24982 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.61 CN(C)c1cnccc1O MB24989 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.61 Cc1ccccc1C(=S)N AB16881 [1,0,0,0,0,0|2,1,0]=4 325 B10R1.61 Cc1cccnc1C(=O)O PB10121 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.61 Cc1ccncc1C(=O)C AB45306 [1,0,0,0,0,0|2,0,0]=3 327 B10R1.61 Cc1ccncc1C(=O)O PB17119 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.61 Cc1cnccc1C(=O)O PB12103 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [1,0,0,0,0,0|2,0,0]=3 339 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,0,0,0,0,0|2,0,0]=3 345 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [1,0,0,0,0,0|2,0,0]=3 346 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [1,0,0,0,0,0|2,1,0]=4 347 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [1,0,0,0,0,0|2,1,0]=4 348 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [1,0,0,0,0,0|2,1,0]=4 349 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [1,0,0,0,0,0|3,0,0]=4 352 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [1,0,0,0,0,0|2,0,0]=3 358 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [1,0,0,0,0,0|2,0,0]=3 364 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [1,0,0,0,0,0|2,0,0]=3 365 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [1,0,0,0,0,0|2,0,1]=4 368 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,0,0,0,0,0|2,0,0]=3 369 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,0,0,0,0,0|2,0,0]=3 370 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,0,0,0,0,0|2,0,0]=3 371 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [1,0,0,0,0,0|2,0,0]=3 384 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,0,0,0,0,0|2,0,1]=4 388 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,0,0,0,0,0|2,0,1]=4 389 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [1,0,0,0,0,0|1,0,0]=2 390 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [1,0,0,0,0,0|2,0,0]=3 391 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [1,0,0,0,0,0|2,0,0]=3 392 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [1,0,0,0,0,0|2,0,1]=4 393 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] PB24788 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,0,0,0,0,0|2,0,0]=3 395 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [1,0,0,0,0,0|2,0,0]=3 397 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [1,0,0,0,0,0|2,0,0]=3 399 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [1,0,0,0,0,0|1,1,0]=3 400 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,0,0,0,0,0|1,0,0]=2 401 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,0,0,0,0,0|1,0,0]=2 404 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,0,0,0,0,0|2,0,0]=3 405 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [1,0,0,0,0,0|2,0,0]=3 408 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [1,0,0,0,0,0|2,1,0]=4 416 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [1,0,0,0,0,0|2,1,0]=4 417 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [1,0,0,0,0,0|2,1,0]=4 419 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [1,0,0,0,0,0|2,1,0]=4 421 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [1,0,0,0,0,0|2,0,0]=3 423 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [1,0,0,0,0,0|3,0,0]=4 424 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,0,0,0,0,0|3,0,0]=4 425 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,0,0,0,0,0|3,0,0]=4 429 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [1,0,0,0,0,0|3,0,0]=4 438 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [1,0,0,0,0,0|3,0,0]=4 439 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [1,0,0,0,0,0|3,0,0]=4 440 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,0,0,0,0,0|3,0,0]=4 441 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,0,0,0,0,0|3,0,0]=4 442 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,0,0,0,0,0|3,0,0]=4 443 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,0,0,0,0,0|3,0,0]=4 449 B12R1.46 B(c1cc(ccc1OC)C)(O)O AB11186 [0,1,0,0,0,0|2,0,1]=4 450 B12R1.46 CC(=O)c1cc(ncc1OC)Br AB76400 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.46 CC(C)c1cc(ccc1OC)O MB02677 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.46 CC(c1cc(ccc1CO)O)N MB69420 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.46 CCc1ccc(cc1C(=O)N)O MB23932 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.46 CCc1ccc(cc1C(=O)O)O MB23934 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.46 CNc1ccc(cc1C(=O)O)O MB38292 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.46 COc1c(cc(cn1)Br)C(=O)O PB10367 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.46 COc1c(cc(cn1)F)C(=O)O AB20974 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.46 COc1ccc(cc1C(=O)N)O MB29478 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.46 COc1ccc(cc1C(=O)O)N AB50010 [0,1,0,0,0,0|2,0,0]=3 460 B12R1.46 COc1ccc(cc1C(=O)O)O MB08752 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.46 COc1cnc(cc1C(=O)O)Br AB74945 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.46 COc1cnc(cc1C(=O)O)Cl AB67550 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.46 CSc1ccc(cc1C(=O)N)O MB33145 [0,1,0,0,0,0|2,1,0]=4 464 B12R1.46 CSc1ccc(cc1C(=O)O)O MB30450 [0,1,0,0,0,0|2,1,0]=4 465 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [0,1,0,0,0,0|1,0,0]=2 466 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])C=O AB46097 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.46 Cc1ncc(c(n1)C(=O)O)OC PB26930 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.46 c1cc(c(cc1O)C(=O)N)C#N MB25527 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.46 c1cc(c(cc1O)C(=O)N)C=O MB26394 [0,1,0,0,0,0|2,0,1]=4 470 B12R1.46 c1cc(c(cc1O)C(=O)O)C#N MB34207 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.46 c1cc(c(cc1O)C(=O)O)C=O MB31349 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.46 c1cc(c(cc1O)C(=O)O)CN MB26977 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.128 CC(C)(C)c1cc(ccc1O)Br MB00881 [0,1,0,0,0,0|2,0,1]=4 474 B12R1.128 CC(C)(C)c1cc(ccc1O)Cl MB14957 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.128 CC(C)(C)c1cc(ccc1O)F MB14954 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.128 CC(C)(C)c1cc(ccc1O)I MB21704 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.128 CC(C)(C)c1cc(ccc1O)N MB21709 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.128 Cc1ccc(c(c1)C(F)(F)F)O MB23430 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)N)O MB06224 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.128 c1cc(c(cc1F)S(=O)(=O)N)O MB25651 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.128 c1cc(c(cc1I)S(=O)(=O)N)O MB33627 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.128 c1cc(c(cc1N)S(=O)(=O)N)O MB29734 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,1,0,0,0,0|1,0,0]=2 484 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,1,0,0,0,0|1,0,0]=2 485 B12R1.232 CC(C)c1cc(c(cc1O)O)Br MB19823 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O AB00226 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O AB01123 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.232 c1c(c(cc(c1F)F)O)[N+](=O)[O-] AB13308 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.232 c1c(c(cc(c1N)O)O)C(=O)O MB08936 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.354 CCC(=O)c1c(ncc(n1)C)C AB77041 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.354 CCC(=O)c1cc(ccc1F)Br MB09680 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.354 CNC(=O)c1cc(ccc1Br)O MB25272 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.354 CNC(=O)c1cc(ccc1Cl)O MB25276 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.354 CNC(=O)c1cc(ccc1F)O MB25242 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.354 CNC(=O)c1cc(ccc1I)O MB25246 [0,1,0,0,0,0|2,0,0]=3 496 B12R1.354 CNC(=O)c1cc(ccc1N)O MB25249 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,1,0,0,0,0|1,0,0]=2 498 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,1,0,0,0,0|1,0,0]=2 499 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,1,0,0,0,0|1,0,0]=2 500 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,1,0,0,0,0|1,0,0]=2 501 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,1,0,0,0,0|1,0,0]=2 502 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.354 COC(=O)c1cc(ccc1Br)F AB03201 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.354 COC(=O)c1cc(ccc1Br)N MB00599 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.354 COC(=O)c1cc(ncc1Br)Cl AB41198 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.354 COC(=O)c1cc(ncc1N)Br PB19740 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,1,0,0,0,0|0,0,0]=1 524 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [0,1,0,0,0,0|2,0,0]=3 527 B12R1.354 c1cc(c(cc1F)C(=O)C=O)F AB49787 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F AB20618 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.453 CC(=O)c1c(ccc(n1)C=O)N AB83845 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [0,1,0,0,0,0|1,0,1]=3 531 B12R1.453 CC(=O)c1c(ccc(n1)CCl)O AB84307 [0,1,0,0,0,0|1,0,0]=2 532 B12R1.453 CC(=O)c1c(ccc(n1)OC)N AB77145 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.453 CC(=O)c1c(ccc(n1)OC)O AB71440 [0,1,0,0,0,0|1,0,0]=2 534 B12R1.453 CC(=O)c1cc(cnc1F)OC AB72625 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.453 CC(=O)c1cc(cnc1N)C=O AB83834 [0,1,0,0,0,0|2,0,1]=4 536 B12R1.453 CC(=O)c1cc(cnc1N)OC AB75419 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [0,1,0,0,0,0|1,0,1]=3 538 B12R1.453 CC(=O)c1cc(cnc1O)CCl AB84269 [0,1,0,0,0,0|1,0,0]=2 539 B12R1.453 CC(=O)c1cc(cnc1O)OC AB84257 [0,1,0,0,0,0|1,0,0]=2 540 B12R1.453 CC(=O)c1cc(ncc1N)C=O AB83791 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.453 CC(=O)c1cc(ncc1N)OC AB83786 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.453 CC(=O)c1cc(ncc1O)C=O AB84161 [0,1,0,0,0,0|1,0,1]=3 543 B12R1.453 CC(=O)c1cc(ncc1O)CCl AB84166 [0,1,0,0,0,0|1,0,0]=2 544 B12R1.453 CC(=O)c1cc(ncc1O)OC AB69290 [0,1,0,0,0,0|1,0,0]=2 545 B12R1.453 CC(C)c1cc(ccc1O)C#N MB22341 [0,1,0,0,0,0|1,0,2]=4 546 B12R1.453 CC(C)c1cc(ccc1O)C=O MB22345 [0,1,0,0,0,0|1,0,2]=4 547 B12R1.453 CC(C)c1cc(ccc1O)CN MB37830 [0,1,0,0,0,0|1,0,1]=3 548 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [0,1,0,0,0,0|1,0,1]=3 549 B12R1.453 CCc1ccc(c(c1)C(=O)N)O MB23859 [0,1,0,0,0,0|1,0,0]=2 550 B12R1.453 CCc1ccc(c(c1)C(=O)O)O MB09459 [0,1,0,0,0,0|1,0,0]=2 551 B12R1.453 CCc1ccc(c(c1)C(C)C)O MB01995 [0,1,0,0,0,0|1,0,1]=3 552 B12R1.453 CCc1ccc(c(c1)N(C)C)O MB23877 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.453 CN(C)c1cc(ccc1O)C#N MB32754 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.453 CN(C)c1cc(ccc1O)C=O MB33544 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.453 CN(C)c1cc(ccc1O)CN MB32176 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.453 CN(C)c1cc(ccc1O)SC MB27336 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.453 CNc1ccc(c(c1)C(=O)N)O MB34583 [0,1,0,0,0,0|1,0,0]=2 559 B12R1.453 CNc1ccc(c(c1)C(=O)O)O MB36368 [0,1,0,0,0,0|1,0,0]=2 560 B12R1.453 CNc1ccc(c(c1)N(C)C)O MB27180 [0,1,0,0,0,0|2,0,0]=3 561 B12R1.453 COc1cc(c(cn1)Br)C(=O)O AB41196 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O AB41192 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.453 COc1cc(c(cn1)N)C(=O)O PB30757 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O PB25567 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.453 COc1cc(c(nc1)N)C(=O)O AB83489 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.453 COc1ccc(c(c1)C(=O)N)O MB00843 [0,1,0,0,0,0|1,0,0]=2 567 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br AB02121 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.453 COc1ccc(c(n1)C(=O)O)Br AB66791 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.453 COc1ccc(c(n1)C(=O)O)Cl AB62921 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.453 COc1ccc(c(n1)C(=O)O)N AB50525 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.453 CSc1ccc(c(c1)C(=O)N)O MB29871 [0,1,0,0,0,0|1,0,0]=2 572 B12R1.453 Cc1ccc(cc1C(=O)O)C#N AB68603 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.453 c1cc(c(cc1C#N)C(=O)N)O MB11926 [0,1,0,0,0,0|1,0,1]=3 574 B12R1.453 c1cc(c(cc1C#N)C(=O)O)I MB14468 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.453 c1cc(c(cc1C#N)C(=O)O)O MB25595 [0,1,0,0,0,0|1,0,1]=3 576 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [0,1,0,0,0,0|1,0,1]=3 577 B12R1.453 c1cc(c(cc1CN)C(=O)N)O MB35030 [0,1,0,0,0,0|1,0,0]=2 578 B12R1.453 c1cc(c(cc1CN)C(=O)O)O MB01553 [0,1,0,0,0,0|1,0,0]=2 579 B12R1.453 c1cc(c(nc1CCl)C(=O)O)N AB83539 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.511 Cc1cc(c(c(c1)Br)N)[N+](=O)[O-] AB04784 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.511 Cc1cc(c(c(c1)C(=O)N)N)C AB65887 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.511 Cc1cc(c(c(c1)O)C)C(=O)O AB24927 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.511 Cc1cc(cc(c1O)C(=O)O)Cl AB23162 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.511 Cc1cc(cc(c1O)[N+](=O)[O-])Br AB53057 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)Br AB21087 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.511 c1c(cc(c(c1C(=O)O)F)F)N AB21104 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.511 c1c(cc(c(c1C(=O)O)I)Cl)Cl MB03052 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.511 c1c(cc(c(c1C(=O)O)N)F)F AB09248 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.511 c1c(cc(c(c1C(=O)O)O)Br)Cl MB01635 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)Cl)Br AB53061 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.894 Cc1c(ccc(c1[N+](=O)[O-])O)Br PB11262 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.894 Cc1cnc(c(c1C)C(=O)O)N AB71822 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)Cl)Br PB33431 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.894 c1cc(c(c(c1Cl)Cl)C(=O)O)Br AB31659 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.894 c1cc(c(c(c1F)C(=O)O)N)F AB09251 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Br AB31662 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)Cl AB31668 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.894 c1cc(c(c(c1F)F)C(=O)O)I AB31665 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.894 c1cc(c(c(c1N)C(=O)O)Cl)Cl AB15584 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.894 c1cc(c(c(c1N)C(=O)O)F)F AB30448 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.894 c1cc(c(c(c1O)C(=O)O)F)F AB31839 [0,1,0,0,0,0|2,0,0]=3 602 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,0,0,1,0,0|3,0,0]=4 603 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,0,0,1,0,0|2,0,0]=3 604 B12R2.132 Cc1cc2c(cn1)CNC2=O AB76267 [0,0,0,1,0,0|3,0,0]=4 605 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,0,0,1,0,0|2,0,0]=3 606 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,0,0,1,0,0|2,0,1]=4 607 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,0,0,1,0,0|2,0,1]=4 608 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,0,0,1,0,0|2,0,1]=4 609 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,0,0,1,0,0|2,0,0]=3 610 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,0,0,1,0,0|3,0,0]=4 611 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,0,0,1,0,0|3,0,0]=4 612 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,0,0,1,0,0|2,0,0]=3 613 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,0,0,1,0,0|2,0,0]=3 614 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,0,0,1,0,0|3,0,0]=4 615 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,0,0,1,0,0|3,0,0]=4 616 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,0,0,1,0,0|3,0,0]=4 617 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,0,0,1,0,0|2,0,1]=4 618 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [0,0,0,1,0,0|3,0,0]=4 619 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [0,0,0,1,0,0|3,0,0]=4 620 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,0,0,1,0,0|2,0,0]=3 621 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,0,0,1,0,0|1,0,0]=2 622 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,0,0,1,0,0|3,0,0]=4 623 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,0,0,1,0,0|3,0,0]=4 624 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,0,0,1,0,0|2,0,1]=4 625 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,0,0,1,0,0|2,0,1]=4 626 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [0,0,0,1,0,0|3,0,0]=4 627 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,0,0,1,0,0|2,0,0]=3 628 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,0,0,1,0,0|3,0,0]=4 629 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,0,0,1,0,0|2,0,1]=4 630 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [0,0,0,1,0,0|3,0,0]=4 631 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,0,0,1,0,0|3,0,0]=4 632 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,0,0,1,0,0|3,0,0]=4 633 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,0,0,1,0,0|3,0,0]=4 634 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,0,0,1,0,0|3,0,0]=4 635 B10R1.59 Cc1c(cn(n1)C)C(=O)C AB06270 [0,0,0,0,1,0|3,0,0]=4 636 B10R1.59 Cc1cc(c(o1)C)C(=O)O AB03078 [0,0,0,0,1,0|3,0,0]=4 637 B10R1.59 Cc1cc(c(s1)N)C(=O)N AB03142 [0,0,0,0,1,0|3,0,0]=4 638 B10R1.59 Cc1cc(c(s1)N)C(=O)O AB22303 [0,0,0,0,1,0|3,0,0]=4 639 B10R1.59 Cc1cc(n(n1)C)C(=O)C AB20875 [0,0,0,0,1,0|3,0,0]=4 640 B10R1.192 CC1=NC=C(C1C(=O)C)N AB65787 [0,0,0,0,1,0|2,0,1]=4 641 B12R1.127 CC(=O)Nc1cc(cnc1Cl)Br AB40834 [0,0,0,0,0,1|3,0,0]=4 642 B12R1.127 CC(C)Oc1cc(ccc1O)Br MB22976 [0,0,0,0,0,1|2,0,1]=4 643 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [0,0,0,0,0,1|2,0,1]=4 644 B12R1.127 CC(C)Oc1cc(ccc1O)F MB22871 [0,0,0,0,0,1|2,0,1]=4 645 B12R1.127 CC(C)Oc1cc(ccc1O)I MB22873 [0,0,0,0,0,1|2,0,1]=4 646 B12R1.127 CC(C)Oc1cc(ccc1O)N MB22877 [0,0,0,0,0,1|2,0,1]=4 647 B12R1.127 Cc1ccc(c(c1)OC(C)C)O MB22829 [0,0,0,0,0,1|1,0,1]=3 648 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.2 Cc1cc(ccn1)C=O AB24827 [2,0,0,0,0,0|1,0,0]=3 650 B9R1.2 Cc1cc(cnc1)C=O PB18860 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.2 Cc1cccc(n1)C=O AB00683 [2,0,0,0,0,0|1,0,0]=3 653 B9R1.2 Cc1cccc(n1)NC AB60602 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.2 Cc1ccnc(n1)C=O PB28177 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.2 Cc1cncc(n1)C=O AB62637 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.2 Cc1nccc(n1)C=O AB52721 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.2 c1c(cncc1Br)C=O PB10234 [2,0,0,0,0,0|2,0,0]=4 658 B9R1.2 c1c(cncc1Cl)C=O PB29540 [2,0,0,0,0,0|2,0,0]=4 659 B9R1.2 c1c(cncc1F)C=O PB12469 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.2 c1c(cncc1I)C=O AB45533 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.2 c1c(cncc1N)C=O AB67741 [2,0,0,0,0,0|2,0,0]=4 662 B9R1.2 c1c(cncc1O)C=O AB67779 [2,0,0,0,0,0|2,0,0]=4 663 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.2 c1cnc(cc1Br)C=O PB10584 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.2 c1cnc(cc1C=O)Br AB17326 [2,0,0,0,0,0|2,0,0]=4 668 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [2,0,0,0,0,0|2,0,0]=4 669 B9R1.2 c1cnc(cc1C=O)F AB24818 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.2 c1cnc(cc1F)C=O AB68024 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.2 c1cnc(cc1N)C=O AB68102 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.2 c1cnc(cc1O)C=O AB68125 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|1,0,1]=4 675 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|1,0,1]=4 676 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|1,0,1]=4 677 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.15 COc1ccncc1O MB09117 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.15 COc1cnccc1O MB25455 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|2,0,0]=4 684 B9R1.15 CSc1ccncc1O MB25632 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.15 CSc1cnccc1O MB31499 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.15 Cc1c(cccn1)C=O PB27878 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.15 Cc1cccnc1C=O PB14292 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.15 Cc1ccncc1C=O PB23498 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.15 Cc1cnccc1C=O AB11481 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [2,0,0,0,0,0|1,0,0]=3 695 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [2,0,0,0,0,0|1,0,0]=3 699 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [2,0,0,0,0,0|1,0,0]=3 700 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|1,0,1]=4 701 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|1,0,1]=4 702 B9R1.15 c1cncc(c1Br)C=O AB25683 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.15 c1cncc(c1Br)C=O AB53933 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.15 c1cncc(c1C=O)Br PB17335 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.15 c1cncc(c1C=O)Cl AB23043 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.15 c1cncc(c1C=O)F PB32422 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.15 c1cncc(c1C=O)N PB20170 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.15 c1cncc(c1C=O)O AB08714 [2,0,0,0,0,0|1,0,0]=3 709 B9R1.15 c1cncc(c1Cl)C=O AB17590 [2,0,0,0,0,0|2,0,0]=4 710 B9R1.15 c1cncc(c1F)C=O AB32109 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.15 c1cncc(c1N)C=O AB12471 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.15 c1cncc(c1N)C=O PB27639 [2,0,0,0,0,0|2,0,0]=4 713 B9R1.15 c1cncc(c1O)C=O AB59870 [2,0,0,0,0,0|1,0,0]=3 714 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [2,0,0,0,0,0|2,0,0]=4 717 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [2,0,0,0,0,0|2,0,0]=4 718 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [2,0,0,0,0,0|2,0,0]=4 719 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [2,0,0,0,0,0|1,0,0]=3 720 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [2,0,0,0,0,0|2,0,0]=4 721 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [2,0,0,0,0,0|2,0,0]=4 722 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [2,0,0,0,0,0|2,0,0]=4 723 B9R1.69 Cc1cc(ccc1I)O MB06793 [2,0,0,0,0,0|2,0,0]=4 724 B9R1.69 Cc1cc(cnc1O)Br AB15087 [2,0,0,0,0,0|2,0,0]=4 725 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [2,0,0,0,0,0|2,0,0]=4 726 B9R1.69 Cc1cc(cnc1O)F AB82901 [2,0,0,0,0,0|2,0,0]=4 727 B9R1.69 Cc1cc(cnc1O)I CB10781 [2,0,0,0,0,0|2,0,0]=4 728 B9R1.69 Cc1cc(cnc1O)N AB41215 [2,0,0,0,0,0|2,0,0]=4 729 B9R1.69 Cc1cc(ncc1Br)C AB53714 [2,0,0,0,0,0|2,0,0]=4 730 B9R1.69 Cc1cc(ncc1N)C AB41994 [2,0,0,0,0,0|2,0,0]=4 731 B9R1.69 Cc1cc(ncc1O)C AB44457 [2,0,0,0,0,0|1,0,0]=3 732 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [2,0,0,0,0,0|2,0,0]=4 733 B9R1.69 Cc1cc(ncc1O)F AB71303 [2,0,0,0,0,0|2,0,0]=4 734 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [2,0,0,0,0,0|1,1,0]=4 735 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [2,0,0,0,0,0|1,0,0]=3 737 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [2,0,0,0,0,0|2,0,0]=4 738 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [2,0,0,0,0,0|1,0,1]=4 739 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [2,0,0,0,0,0|1,0,1]=4 740 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [2,0,0,0,0,0|1,0,1]=4 741 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [2,0,0,0,0,0|2,0,0]=4 743 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [2,0,0,0,0,0|2,0,0]=4 744 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [2,0,0,0,0,0|2,0,0]=4 746 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [2,0,0,0,0,0|2,0,0]=4 747 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [2,0,0,0,0,0|2,0,0]=4 748 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [2,0,0,0,0,0|2,0,0]=4 749 B9R1.69 c1cc(c(cc1F)I)O MB14767 [2,0,0,0,0,0|2,0,0]=4 750 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [2,0,0,0,0,0|2,0,0]=4 751 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [2,0,0,0,0,0|2,0,0]=4 752 B9R1.69 c1cc(c(cc1I)F)O MB09308 [2,0,0,0,0,0|2,0,0]=4 753 B9R1.69 c1cc(c(cc1I)I)O MB01999 [2,0,0,0,0,0|2,0,0]=4 754 B9R1.69 c1cc(c(cc1I)N)O MB14432 [2,0,0,0,0,0|2,0,0]=4 755 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|1,0,0]=3 756 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|1,0,0]=3 757 B9R1.6 CC(=O)c1cccnn1 PB16551 [2,0,0,0,0,0|2,0,0]=4 758 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|1,0,0]=3 759 B9R1.6 CC(=O)c1ccncn1 PB17606 [2,0,0,0,0,0|2,0,0]=4 760 B9R1.6 CC(=O)c1ccnnc1 PB26895 [2,0,0,0,0,0|2,0,0]=4 761 B9R1.6 CC(=O)c1cnccn1 AB00602 [2,0,0,0,0,0|2,0,0]=4 762 B9R1.6 CC(=O)c1cncnc1 PB20327 [2,0,0,0,0,0|2,0,0]=4 763 B9R1.6 CC(=O)c1ncccn1 PB34295 [2,0,0,0,0,0|2,0,0]=4 764 B9R1.6 CC(c1ccccc1)Cl AB01249 [2,0,0,0,0,0|1,0,1]=4 765 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 766 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|2,0,0]=4 767 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|2,0,0]=4 768 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br CB10011 [1,1,0,0,0,0|1,0,0]=3 770 B11R1.8 c1c(cc(c(c1C=O)O)F)Br AB16030 [1,1,0,0,0,0|1,0,0]=3 771 B11R1.37 CCc1cc(ccc1OC)O MB13572 [1,1,0,0,0,0|1,0,1]=4 772 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.37 CNc1cc(ccc1OC)O MB27280 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.37 CNc1ccc(cc1C=O)O MB25553 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.37 COc1c(cc(cn1)Br)C=O PB24869 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.37 COc1c(cc(cn1)F)C=O AB20973 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.37 COc1ccc(cc1C=O)I AB20799 [1,1,0,0,0,0|1,0,0]=3 778 B11R1.37 COc1ccc(cc1SC)O MB31332 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.37 COc1cnc(cc1C=O)Br AB75347 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.37 COc1cnc(cc1C=O)Cl AB67541 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.37 CSc1ccc(cc1C=O)O MB28246 [1,1,0,0,0,0|1,1,0]=4 782 B11R1.37 c1cc(c(cc1Cl)C=O)C#N MB08898 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.37 c1cc(c(cc1O)C=O)C=O MB33390 [1,1,0,0,0,0|1,0,1]=4 784 B11R1.37 c1cc(c(cc1O)C=O)CN MB26905 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.72 c1cc(c(c(c1F)C=O)O)F CB11113 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.72 c1cc(c(c(c1F)F)C=O)Br AB31733 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.72 c1cc(c(c(c1F)F)C=O)Cl AB31731 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.72 c1cc(c(c(c1F)F)C=O)I AB31730 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.72 c1cc(c(c(c1N)C=O)F)F AB31736 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.72 c1cc(c(c(c1O)F)C=O)Br MB07193 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.277 c1c(c(cc(c1O)O)F)C=O MB02740 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [1,1,0,0,0,0|0,0,2]=4 794 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [1,1,0,0,0,0|0,0,2]=4 795 B11R1.280 CCc1cc(ccc1O)CN MB23654 [1,1,0,0,0,0|0,0,1]=3 796 B11R1.280 CCc1cc(ccc1O)NC MB23664 [1,1,0,0,0,0|0,0,1]=3 797 B11R1.280 CCc1cc(ccc1O)OC MB23776 [1,1,0,0,0,0|0,0,1]=3 798 B11R1.280 CCc1cc(ccc1O)SC MB23777 [1,1,0,0,0,0|0,0,1]=3 799 B11R1.280 CCc1ccc(c(c1)C#N)O MB23858 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [1,1,0,0,0,0|0,0,1]=3 801 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [1,1,0,0,0,0|1,0,0]=3 804 B11R1.280 CNc1cc(ccc1F)CBr AB66016 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.280 CNc1cc(ccc1O)CN MB28730 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.280 CNc1cc(ccc1O)OC MB34517 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.280 CNc1cc(ccc1O)SC MB35888 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.280 CNc1ccc(c(c1)C#N)O MB38357 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [1,1,0,0,0,0|0,0,0]=2 812 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [1,1,0,0,0,0|1,0,0]=3 814 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.280 COc1cc(c(cn1)Br)C=O AB66667 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.280 COc1cc(c(cn1)Cl)C=O AB64857 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.280 COc1cc(c(cn1)N)C=O AB83631 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.280 COc1cc(c(cn1)O)C=O AB69287 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.280 COc1cc(c(nc1)F)C=O AB71336 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.280 COc1cc(c(nc1)N)C=O AB75279 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.280 COc1cc(c(nc1)O)C=O AB84508 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.280 COc1cc(ccc1N)CO AB44207 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,1,0,0,0,0|1,0,0]=3 825 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [1,1,0,0,0,0|1,0,1]=4 826 B11R1.280 COc1ccc(c(c1)C=O)N AB58425 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [1,1,0,0,0,0|1,0,1]=4 828 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,1,0,0,0,0|1,0,0]=3 829 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.280 COc1ccc(c(n1)C=O)Br AB69237 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.280 COc1ccc(c(n1)C=O)Cl AB68193 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.280 COc1ccc(c(n1)C=O)N AB83722 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.280 COc1ccc(c(n1)C=O)O AB71438 [1,1,0,0,0,0|1,0,0]=3 834 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [1,1,0,0,0,0|1,0,1]=4 835 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [1,1,0,0,0,0|1,0,1]=4 836 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [1,1,0,0,0,0|0,0,0]=2 837 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.280 c1c(c(cnc1C=O)O)C=O AB84406 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.280 c1c(cnc(c1C=O)O)C=O AB84515 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.280 c1c(cnc(c1C=O)O)CCl AB84522 [1,1,0,0,0,0|1,0,0]=3 842 B11R1.280 c1c(ncc(c1C=O)O)CCl AB84411 [1,1,0,0,0,0|1,0,0]=3 843 B11R1.280 c1cc(c(cc1C#N)C=O)F AB21508 [1,1,0,0,0,0|1,0,1]=4 844 B11R1.280 c1cc(c(cc1C#N)C=O)O MB07859 [1,1,0,0,0,0|0,0,1]=3 845 B11R1.280 c1cc(c(cc1CN)C#N)O MB33026 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [1,1,0,0,0,0|0,0,0]=2 847 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.280 c1cc(c(nc1C=O)C=O)O AB76119 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.280 c1cc(c(nc1CCl)C=O)O AB84569 [1,1,0,0,0,0|1,0,0]=3 850 B11R1.53 CC(=O)c1cccnc1OC AB64711 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.53 CC(=O)c1cnccc1OC AB67883 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.53 COc1ccccc1C(=N)N AB27551 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.53 COc1ccccc1C(=S)N AB21279 [1,1,0,0,0,0|1,1,0]=4 855 B11R1.53 COc1cccnc1C(=O)O MB04405 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.53 COc1ccncc1C(=O)O AB20474 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.53 COc1cnccc1C(=O)O AB32050 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.87 C[Si](C)(C)c1ccccc1O AB54787 [1,1,0,0,0,0|1,1,0]=4 860 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)N MB25652 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.156 CC(=O)c1c(ccnc1Br)N AB83821 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [1,1,0,0,0,0|1,0,0]=3 863 B11R1.156 CC(=O)c1c(ccnc1Cl)N AB83824 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.156 CC(=O)c1c(ccnc1F)Cl AB83199 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [1,1,0,0,0,0|1,0,0]=3 867 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [1,1,0,0,0,0|1,0,0]=3 868 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [1,1,0,0,0,0|1,0,0]=3 869 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.156 CC(=O)c1c(cncc1Br)N AB83766 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.156 CC(=O)c1c(cncc1Br)O AB84134 [1,1,0,0,0,0|1,0,0]=3 872 B11R1.156 CC(=O)c1c(cncc1Cl)F AB75073 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.156 CC(=O)c1c(cncc1Cl)N AB83767 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.156 CC(=O)c1c(cncc1Cl)O AB84135 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.156 CC(=O)c1c(cncc1N)N AB83770 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.156 CC(=O)c1c(cncc1O)N AB84138 [1,1,0,0,0,0|1,0,0]=3 877 B11R1.156 CC(C)c1c(cccc1Br)O MB22335 [1,1,0,0,0,0|1,0,1]=4 878 B11R1.156 CC(C)c1c(cccc1Cl)O MB22338 [1,1,0,0,0,0|1,0,1]=4 879 B11R1.156 CC(C)c1c(cccc1F)O MB22319 [1,1,0,0,0,0|1,0,1]=4 880 B11R1.156 CC(C)c1c(cccc1I)O MB22320 [1,1,0,0,0,0|1,0,1]=4 881 B11R1.156 CC(C)c1c(cccc1O)N MB22301 [1,1,0,0,0,0|1,0,1]=4 882 B11R1.156 CN(C)c1c(cccc1Br)O MB24668 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.156 CN(C)c1c(cccc1Cl)O MB24669 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.156 CN(C)c1c(cccc1F)O MB24657 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.156 CN(C)c1c(cccc1I)O MB24659 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.156 CN(C)c1c(cccc1O)N MB24642 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [1,1,0,0,0,0|1,0,0]=3 891 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [1,1,0,0,0,0|1,0,0]=3 893 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [1,1,0,0,0,0|1,0,0]=3 894 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.156 Cc1ccnc(c1C(=O)C)Cl AB83342 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.156 Cc1ccnc(c1C(=O)C)F AB41110 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.156 Cc1cncc(c1C(=O)C)C AB76702 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.156 Cc1cncc(c1C(=O)C)Cl AB75144 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.156 Cc1cncc(c1C(=O)C)F AB75182 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.156 Cc1cncc(c1C(=O)C)N AB83771 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [1,1,0,0,0,0|1,0,0]=3 911 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [1,1,0,0,0,0|1,0,0]=3 912 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [1,1,0,0,0,0|1,0,0]=3 913 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [1,1,0,0,0,0|1,0,0]=3 914 B11R1.159 CC(=O)c1c(c(ccn1)Br)N AB83862 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.159 CC(=O)c1c(c(ccn1)Cl)F AB83138 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.159 CC(=O)c1c(c(ccn1)Cl)N AB83864 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [1,1,0,0,0,0|1,0,0]=3 919 B11R1.159 CC(=O)c1c(c(ccn1)F)Cl AB83004 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [1,1,0,0,0,0|1,0,0]=3 921 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [1,1,0,0,0,0|0,0,0]=2 925 B11R1.159 CC(=O)c1ccnc(c1Cl)Cl AB69726 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.159 CC(=O)c1ccnc(c1Cl)F AB75067 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.159 CC(=O)c1ccnc(c1Cl)N AB83933 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.159 CC(=O)c1ccnc(c1Cl)O AB84065 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.159 CC(=O)c1ccnc(c1F)Cl AB75070 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.159 CC(=O)c1ccnc(c1N)Br AB83761 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.159 CC(=O)c1ccnc(c1N)Cl AB14188 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.159 CC(=O)c1ccnc(c1N)N AB83764 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [1,1,0,0,0,0|1,0,0]=3 934 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [1,1,0,0,0,0|1,0,0]=3 935 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [1,1,0,0,0,0|1,0,0]=3 936 B11R1.159 CC(=O)c1cncc(c1Cl)F AB83147 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.159 CC(=O)c1cncc(c1Cl)N AB83878 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.159 CC(=O)c1cncc(c1Cl)O AB83996 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.159 CC(=O)c1cncc(c1F)Cl AB82971 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.159 CC(=O)c1cncc(c1N)Br AB83798 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.159 CC(=O)c1cncc(c1N)Cl AB83801 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.159 CC(=O)c1cncc(c1N)N AB83806 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [1,1,0,0,0,0|1,0,0]=3 944 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [1,1,0,0,0,0|1,0,0]=3 945 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [1,1,0,0,0,0|1,0,0]=3 946 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [1,1,0,0,0,0|1,0,1]=4 947 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [1,1,0,0,0,0|1,0,1]=4 948 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [1,1,0,0,0,0|1,0,1]=4 949 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [1,1,0,0,0,0|1,0,1]=4 950 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [1,1,0,0,0,0|1,0,1]=4 951 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.159 Cc1c(ccnc1Cl)C(=O)C AB74659 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.159 Cc1c(ccnc1F)C(=O)C AB82852 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [1,1,0,0,0,0|1,0,0]=3 969 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [1,1,0,0,0,0|1,0,1]=4 970 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [1,1,0,0,0,0|1,0,0]=3 975 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [1,1,0,0,0,0|1,0,0]=3 980 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [1,1,0,0,0,0|1,0,0]=3 984 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [1,1,0,0,0,0|1,0,0]=3 988 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [1,1,0,0,0,0|1,0,0]=3 990 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [1,1,0,0,0,0|1,0,0]=3 991 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [1,1,0,0,0,0|1,0,0]=3 992 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [1,1,0,0,0,0|1,0,0]=3 993 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [1,1,0,0,0,0|1,0,0]=3 995 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.166 CC(=O)c1c(cc(cn1)Br)Br AB43404 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.166 CC(=O)c1c(cc(cn1)Br)N AB77139 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [1,1,0,0,0,0|2,0,0]=4 1011 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [1,1,0,0,0,0|1,0,0]=3 1012 B11R1.166 CC(=O)c1c(cc(cn1)F)Cl AB74653 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.166 CC(=O)c1c(cc(cn1)F)N AB77154 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.166 CC(=O)c1c(cc(cn1)N)N AB83853 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [1,1,0,0,0,0|1,0,0]=3 1016 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [1,1,0,0,0,0|1,0,0]=3 1017 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [1,1,0,0,0,0|1,0,0]=3 1018 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [1,1,0,0,0,0|0,0,0]=2 1019 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [1,1,0,0,0,0|1,0,0]=3 1026 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [1,1,0,0,0,0|1,0,0]=3 1027 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [1,1,0,0,0,0|1,0,0]=3 1028 B11R1.166 CC(=O)c1cnc(cc1Cl)Cl AB13863 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.166 CC(=O)c1cnc(cc1Cl)F AB71566 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.166 CC(=O)c1cnc(cc1N)Br AB63704 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.166 CC(=O)c1cnc(cc1N)Cl AB83812 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [1,1,0,0,0,0|1,0,0]=3 1033 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [1,1,0,0,0,0|1,0,0]=3 1034 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [1,1,0,0,0,0|1,0,0]=3 1035 B11R1.166 CC(=O)c1cnc(nc1O)Cl AB76992 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.166 CC(C)c1ccc(cc1O)Br MB22598 [1,1,0,0,0,0|1,0,1]=4 1037 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [1,1,0,0,0,0|1,0,1]=4 1038 B11R1.166 CC(C)c1ccc(cc1O)F MB22513 [1,1,0,0,0,0|1,0,1]=4 1039 B11R1.166 CC(C)c1ccc(cc1O)I MB22516 [1,1,0,0,0,0|1,0,1]=4 1040 B11R1.166 CC(C)c1ccc(cc1O)N MB22522 [1,1,0,0,0,0|1,0,1]=4 1041 B11R1.166 CN(C)c1ccc(cc1O)Br MB24904 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.166 CN(C)c1ccc(cc1O)F MB24817 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.166 CN(C)c1ccc(cc1O)I MB24820 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.166 CN(C)c1ccc(cc1O)N MB24828 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [1,1,0,0,0,0|1,0,0]=3 1051 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [1,1,0,0,0,0|1,0,0]=3 1057 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [1,1,0,0,0,0|1,0,0]=3 1064 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [1,1,0,0,0,0|1,0,1]=4 1065 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [1,1,0,0,0,0|1,0,0]=3 1069 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [1,1,0,0,0,0|1,0,0]=3 1076 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [1,1,0,0,0,0|1,0,0]=3 1078 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [1,1,0,0,0,0|1,0,0]=3 1081 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [1,1,0,0,0,0|1,0,0]=3 1083 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [1,1,0,0,0,0|1,0,0]=3 1084 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,1,0,0,0,0|1,0,0]=3 1092 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [1,1,0,0,0,0|1,0,0]=3 1093 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,1,0,0,0,0|0,0,0]=2 1094 B11R1.222 CNC(=O)c1ccncc1O MB25570 [1,1,0,0,0,0|1,0,0]=3 1095 B11R1.222 CNC(=O)c1cnccc1O MB38207 [1,1,0,0,0,0|1,0,0]=3 1096 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.222 COC(=N)c1ccccc1F AB60966 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,1,0,0,0,0|1,0,0]=3 1099 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.222 COC(=O)c1cccnc1Br AB31400 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,1,0,0,0,0|1,0,0]=3 1105 B11R1.222 COC(=O)c1ccncc1Br PB14358 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.222 COC(=O)c1ccncc1I PB10250 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.222 COC(=O)c1ccncc1N PB21166 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.222 COC(=O)c1cnccc1F AB70564 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.222 COC(=O)c1cnccc1N PB32232 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [1,1,0,0,0,0|1,0,0]=3 1112 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,1,0,0,0,0|1,0,0]=3 1113 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [1,1,0,0,0,0|1,0,1]=4 1117 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [1,1,0,0,0,0|1,0,1]=4 1118 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [1,1,0,0,0,0|1,0,1]=4 1119 B11R1.21 CC(=O)c1cc(c(cn1)Cl)Cl AB73180 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.21 CC(=O)c1cc(c(cn1)Cl)F AB82986 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.21 CC(=O)c1cc(c(cn1)Cl)N AB83914 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.21 CC(=O)c1cc(c(cn1)F)Cl AB83156 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.21 CC(=O)c1cc(c(cn1)N)Cl AB83892 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.21 CC(=O)c1ccc(c(n1)Cl)F AB75031 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.21 CC(=O)c1ccc(c(n1)Cl)N AB51559 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.21 CC(=O)c1ccc(c(n1)F)Cl AB72855 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.21 CC(=O)c1ccc(c(n1)N)Cl AB83957 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [1,1,0,0,0,0|1,0,0]=3 1143 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [1,1,0,0,0,0|1,0,0]=3 1144 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [1,1,0,0,0,0|1,0,0]=3 1148 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [1,1,0,0,0,0|1,0,1]=4 1149 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [1,1,0,0,0,0|1,0,0]=3 1152 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [1,1,0,0,0,0|1,0,0]=3 1154 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [1,1,0,0,0,0|1,0,0]=3 1156 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [1,1,0,0,0,0|1,0,0]=3 1159 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [1,1,0,0,0,0|1,0,0]=3 1161 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [1,1,0,0,0,0|1,1,0]=4 1165 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [1,1,0,0,0,0|1,0,0]=3 1167 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,0]=3 1198 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [1,1,0,0,0,0|1,0,0]=3 1215 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [1,1,0,0,0,0|1,0,0]=3 1224 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [1,1,0,0,0,0|1,0,0]=3 1225 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [1,1,0,0,0,0|1,0,1]=4 1227 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [1,1,0,0,0,0|1,0,1]=4 1228 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [1,1,0,0,0,0|1,0,1]=4 1229 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [1,1,0,0,0,0|1,0,1]=4 1230 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [1,1,0,0,0,0|1,0,1]=4 1231 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [1,1,0,0,0,0|1,0,0]=3 1232 B11R1.23 c1cnc(cc1C(=O)CBr)Cl AB51068 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AB03014 [1,1,0,0,0,0|1,0,0]=3 1234 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl AB68467 [1,1,0,0,0,0|1,0,0]=3 1235 B11R1.74 CC(=O)c1cc(cc(c1)Br)F AB64734 [1,1,0,0,0,0|1,0,0]=3 1236 B11R1.74 CC(=O)c1cc(cc(c1)Br)O AB77772 [1,1,0,0,0,0|1,0,0]=3 1237 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AB02007 [1,1,0,0,0,0|1,0,0]=3 1238 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AB20622 [1,1,0,0,0,0|1,0,0]=3 1239 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O AB66008 [1,1,0,0,0,0|1,0,0]=3 1240 B11R1.74 CC(=O)c1cc(cc(c1)F)F AB01921 [1,1,0,0,0,0|1,0,0]=3 1241 B11R1.74 CC(=O)c1cc(cc(c1)F)O AB70439 [1,1,0,0,0,0|1,0,0]=3 1242 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AB12532 [1,1,0,0,0,0|1,0,0]=3 1243 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl AB77751 [1,1,0,0,0,0|1,0,0]=3 1244 B11R1.74 CC(=O)c1cc(cc(c1)I)F AB77745 [1,1,0,0,0,0|1,0,0]=3 1245 B11R1.74 CC(=O)c1cc(cc(c1)I)I AB77773 [1,1,0,0,0,0|1,0,0]=3 1246 B11R1.74 CC(=O)c1cc(cc(c1)I)O AB77786 [1,1,0,0,0,0|1,0,0]=3 1247 B11R1.74 CC(=O)c1cc(cc(c1)O)O AB00220 [1,1,0,0,0,0|1,0,0]=3 1248 B11R1.74 CC(=O)c1cc(cc(n1)Br)Br AB68243 [1,1,0,0,0,0|2,0,0]=4 1249 B11R1.74 CC(=O)c1cc(cc(n1)Br)Cl AB68237 [1,1,0,0,0,0|2,0,0]=4 1250 B11R1.74 CC(=O)c1cc(cc(n1)Br)F AB79777 [1,1,0,0,0,0|2,0,0]=4 1251 B11R1.74 CC(=O)c1cc(cc(n1)Br)I AB79648 [1,1,0,0,0,0|2,0,0]=4 1252 B11R1.74 CC(=O)c1cc(cc(n1)Br)O AB79666 [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.74 CC(=O)c1cc(cc(n1)Cl)Br AB68228 [1,1,0,0,0,0|2,0,0]=4 1254 B11R1.74 CC(=O)c1cc(cc(n1)Cl)Cl AB62521 [1,1,0,0,0,0|2,0,0]=4 1255 B11R1.74 CC(=O)c1cc(cc(n1)Cl)F AB79774 [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.74 CC(=O)c1cc(cc(n1)Cl)I AB79638 [1,1,0,0,0,0|2,0,0]=4 1257 B11R1.74 CC(=O)c1cc(cc(n1)Cl)O AB74857 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.74 CC(=O)c1cc(cc(n1)F)Br AB79614 [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.74 CC(=O)c1cc(cc(n1)F)Cl AB79613 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.74 CC(=O)c1cc(cc(n1)F)F AB79610 [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.74 CC(=O)c1cc(cc(n1)F)I AB79616 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.74 CC(=O)c1cc(cc(n1)F)O AB79636 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.74 CC(=O)c1cc(cc(n1)I)Br AB79811 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.74 CC(=O)c1cc(cc(n1)I)Cl AB79804 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.74 CC(=O)c1cc(cc(n1)I)F AB79779 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.74 CC(=O)c1cc(cc(n1)I)O AB79689 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.74 CC(=O)c1cc(cc(n1)O)Br AB79829 [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.74 CC(=O)c1cc(cc(n1)O)Cl AB79810 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.74 CC(=O)c1cc(cc(n1)O)F AB79802 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.74 CC(=O)c1cc(cc(n1)O)I AB79848 [1,1,0,0,0,0|2,0,0]=4 1271 B11R1.74 CC(=O)c1cc(cc(n1)O)O AB79772 [1,1,0,0,0,0|2,0,0]=4 1272 B11R1.74 CC(=O)c1cc(nc(c1)Br)Br AB76676 [1,1,0,0,0,0|2,0,0]=4 1273 B11R1.74 CC(=O)c1cc(nc(c1)Br)Cl AB79921 [1,1,0,0,0,0|2,0,0]=4 1274 B11R1.74 CC(=O)c1cc(nc(c1)Br)F AB79906 [1,1,0,0,0,0|2,0,0]=4 1275 B11R1.74 CC(=O)c1cc(nc(c1)Br)O AB79941 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.74 CC(=O)c1cc(nc(c1)Cl)Cl AB64667 [1,1,0,0,0,0|2,0,0]=4 1277 B11R1.74 CC(=O)c1cc(nc(c1)Cl)F AB79904 [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.74 CC(=O)c1cc(nc(c1)Cl)N AB74571 [1,1,0,0,0,0|2,0,0]=4 1279 B11R1.74 CC(=O)c1cc(nc(c1)Cl)O AB79929 [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.74 CC(=O)c1cc(nc(c1)F)N AB79914 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.74 CC(=O)c1cc(nc(c1)F)O AB79919 [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.74 CC(=O)c1cc(nc(c1)I)Br AB79930 [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.74 CC(=O)c1cc(nc(c1)I)Cl AB79922 [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.74 CC(=O)c1cc(nc(c1)I)O AB79958 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.74 CC(=O)c1cc(nc(c1)O)O AB80025 [1,1,0,0,0,0|2,0,0]=4 1286 B11R1.74 Cc1cc(cc(c1)Br)C(=O)C AB76200 [1,1,0,0,0,0|0,0,0]=2 1287 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [1,1,0,0,0,0|1,0,0]=3 1288 B11R1.74 Cc1cc(cc(c1)Br)[N+](=O)[O-] AB26378 [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AB08165 [1,1,0,0,0,0|0,0,0]=2 1290 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [1,1,0,0,0,0|1,0,0]=3 1291 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)C AB64283 [1,1,0,0,0,0|0,0,0]=2 1292 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [1,1,0,0,0,0|1,0,0]=3 1293 B11R1.74 Cc1cc(cc(c1)F)C(=O)C AB20635 [1,1,0,0,0,0|0,0,0]=2 1294 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [1,1,0,0,0,0|1,0,0]=3 1295 B11R1.74 Cc1cc(cc(c1)I)C(=O)C AB71471 [1,1,0,0,0,0|0,0,0]=2 1296 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [1,1,0,0,0,0|1,0,0]=3 1297 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [1,1,0,0,0,0|1,0,0]=3 1298 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [1,1,0,0,0,0|0,0,0]=2 1299 B11R1.74 Cc1cc(cc(c1)O)C(=O)N MB23370 [1,1,0,0,0,0|1,0,0]=3 1300 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [1,1,0,0,0,0|1,0,0]=3 1301 B11R1.74 Cc1cc(cc(c1)O)N(C)C MB23375 [1,1,0,0,0,0|2,0,0]=4 1302 B11R1.74 Cc1cc(cc(n1)Br)C(=O)C AB79932 [1,1,0,0,0,0|1,0,0]=3 1303 B11R1.74 Cc1cc(cc(n1)Br)C(=O)O AB66859 [1,1,0,0,0,0|2,0,0]=4 1304 B11R1.74 Cc1cc(cc(n1)C(=O)C)Br AB68173 [1,1,0,0,0,0|1,0,0]=3 1305 B11R1.74 Cc1cc(cc(n1)C(=O)C)Cl AB66887 [1,1,0,0,0,0|1,0,0]=3 1306 B11R1.74 Cc1cc(cc(n1)C(=O)C)F AB79784 [1,1,0,0,0,0|1,0,0]=3 1307 B11R1.74 Cc1cc(cc(n1)C(=O)C)I AB79831 [1,1,0,0,0,0|1,0,0]=3 1308 B11R1.74 Cc1cc(cc(n1)C(=O)C)O AB79719 [1,1,0,0,0,0|1,0,0]=3 1309 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [1,1,0,0,0,0|2,0,0]=4 1312 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [1,1,0,0,0,0|2,0,0]=4 1313 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [1,1,0,0,0,0|2,0,0]=4 1314 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [1,1,0,0,0,0|2,0,0]=4 1315 B11R1.74 Cc1cc(cc(n1)C)C(=O)C AB31118 [1,1,0,0,0,0|1,0,0]=3 1316 B11R1.74 Cc1cc(cc(n1)C)C(=O)O AB15854 [1,1,0,0,0,0|2,0,0]=4 1317 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)C AB66888 [1,1,0,0,0,0|1,0,0]=3 1318 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O PB14103 [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.74 Cc1cc(cc(n1)F)C(=O)C AB79910 [1,1,0,0,0,0|1,0,0]=3 1320 B11R1.74 Cc1cc(cc(n1)F)C(=O)O AB66869 [1,1,0,0,0,0|2,0,0]=4 1321 B11R1.74 Cc1cc(cc(n1)I)C(=O)C AB79945 [1,1,0,0,0,0|1,0,0]=3 1322 B11R1.74 Cc1cc(cc(n1)I)C(=O)O AB79514 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.74 Cc1cc(cc(n1)N)C(=O)O PB20783 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.74 Cc1cc(cc(n1)O)C(=O)C AB79988 [1,1,0,0,0,0|1,0,0]=3 1325 B11R1.74 Cc1cc(cc(n1)O)C(=O)O AB12186 [1,1,0,0,0,0|2,0,0]=4 1326 B11R1.74 Cc1cc(nc(c1)Br)C(=O)C AB79653 [1,1,0,0,0,0|1,0,0]=3 1327 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.74 Cc1cc(nc(c1)C(=O)C)C AB31120 [1,1,0,0,0,0|1,0,0]=3 1329 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [1,1,0,0,0,0|2,0,0]=4 1330 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C AB75104 [1,1,0,0,0,0|1,0,0]=3 1331 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [1,1,0,0,0,0|2,0,0]=4 1332 B11R1.74 Cc1cc(nc(c1)F)C(=O)C AB79620 [1,1,0,0,0,0|1,0,0]=3 1333 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [1,1,0,0,0,0|2,0,0]=4 1334 B11R1.74 Cc1cc(nc(c1)I)C(=O)C AB79670 [1,1,0,0,0,0|1,0,0]=3 1335 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [1,1,0,0,0,0|2,0,0]=4 1336 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [1,1,0,0,0,0|1,0,0]=3 1338 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [1,1,0,0,0,0|2,0,0]=4 1339 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AB02139 [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AB04625 [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AB29578 [1,1,0,0,0,0|2,0,0]=4 1342 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AB00229 [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AB06860 [1,1,0,0,0,0|2,0,0]=4 1344 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AB09246 [1,1,0,0,0,0|2,0,0]=4 1345 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AB07872 [1,1,0,0,0,0|2,0,0]=4 1346 B11R1.74 c1c(cc(cc1F)F)C(=O)O AB01033 [1,1,0,0,0,0|2,0,0]=4 1347 B11R1.74 c1c(cc(cc1F)I)C(=O)O AB20696 [1,1,0,0,0,0|2,0,0]=4 1348 B11R1.74 c1c(cc(cc1I)I)C(=O)O AB06171 [1,1,0,0,0,0|2,0,0]=4 1349 B11R1.74 c1c(cc(cc1N)Br)C(=O)O AB04992 [1,1,0,0,0,0|2,0,0]=4 1350 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AB11542 [1,1,0,0,0,0|2,0,0]=4 1351 B11R1.74 c1c(cc(cc1N)F)C(=O)O AB42533 [1,1,0,0,0,0|2,0,0]=4 1352 B11R1.74 c1c(cc(cc1N)I)C(=O)O AB02789 [1,1,0,0,0,0|2,0,0]=4 1353 B11R1.74 c1c(cc(cc1N)N)C(=O)O AB00898 [1,1,0,0,0,0|2,0,0]=4 1354 B11R1.74 c1c(cc(cc1N)O)C(=O)N MB25638 [1,1,0,0,0,0|2,0,0]=4 1355 B11R1.74 c1c(cc(cc1N)O)C(=O)O AB29674 [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.74 c1c(cc(cc1O)Br)C(=O)N MB25408 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AB29744 [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O AB18080 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.74 c1c(cc(cc1O)F)C(=O)N MB34061 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.74 c1c(cc(cc1O)F)C(=O)O AB64637 [1,1,0,0,0,0|2,0,0]=4 1361 B11R1.74 c1c(cc(cc1O)I)C(=O)N MB13459 [1,1,0,0,0,0|2,0,0]=4 1362 B11R1.74 c1c(cc(cc1O)I)C(=O)O AB02791 [1,1,0,0,0,0|2,0,0]=4 1363 B11R1.74 c1c(cc(cc1O)O)C(=O)O AB00234 [1,1,0,0,0,0|2,0,0]=4 1364 B11R1.155 CS(=O)(=O)c1cccc(c1)I AB07764 [1,1,0,0,0,0|2,0,0]=4 1365 B11R1.155 Cc1cccc(c1)C(C)(C)N AB51569 [1,1,0,0,0,0|1,0,1]=4 1366 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl AB30050 [1,1,0,0,0,0|2,0,0]=4 1367 B11R1.266 CC(=O)c1cc(ccn1)C#N AB30645 [1,1,0,0,0,0|1,0,1]=4 1368 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [1,1,0,0,0,0|1,0,0]=3 1369 B11R1.266 CC(=O)c1cc(cnc1)C#N AB50231 [1,1,0,0,0,0|1,0,1]=4 1370 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [1,1,0,0,0,0|1,0,0]=3 1371 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [1,1,0,0,0,0|2,0,0]=4 1372 B11R1.266 CC(=O)c1cccc(c1)C#C AB21440 [1,1,0,0,0,0|0,0,1]=3 1373 B11R1.266 CC(=O)c1cccc(n1)C#N AB50229 [1,1,0,0,0,0|1,0,1]=4 1374 B11R1.266 CC(=O)c1cccc(n1)CBr AB60305 [1,1,0,0,0,0|1,0,0]=3 1375 B11R1.266 CC(=O)c1cccc(n1)CCl AB59962 [1,1,0,0,0,0|1,0,0]=3 1376 B11R1.266 CC(=O)c1cccc(n1)CO AB49267 [1,1,0,0,0,0|1,0,0]=3 1377 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [1,1,0,0,0,0|1,0,0]=3 1378 B11R1.266 CC(=O)c1ccnc(c1)C#N AB25373 [1,1,0,0,0,0|1,0,1]=4 1379 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [1,1,0,0,0,0|1,0,0]=3 1380 B11R1.266 CC(=O)c1ccnc(n1)OC AB76951 [1,1,0,0,0,0|2,0,0]=4 1381 B11R1.266 CCc1cccc(c1)C(=S)N AB26908 [1,1,0,0,0,0|1,1,0]=4 1382 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [1,1,0,0,0,0|2,0,0]=4 1383 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [1,1,0,0,0,0|2,0,0]=4 1384 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [1,1,0,0,0,0|2,0,0]=4 1385 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [1,1,0,0,0,0|1,1,0]=4 1386 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [1,1,0,0,0,0|2,0,0]=4 1387 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [1,1,0,0,0,0|2,0,0]=4 1388 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [1,1,0,0,0,0|2,0,0]=4 1389 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [1,1,0,0,0,0|2,0,0]=4 1390 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [1,1,0,0,0,0|2,0,0]=4 1391 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN AB14090 [1,1,0,0,0,0|2,0,0]=4 1392 B11R1.266 c1cc(nc(c1)C(=O)O)CN AB25598 [1,1,0,0,0,0|2,0,0]=4 1393 B11R1.266 c1cnc(cc1C(=O)Cl)CCl AB60021 [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [1,1,0,0,0,0|2,0,0]=4 1395 B11R1.225 COC(=O)c1c(cc(s1)Cl)O MB14682 [0,1,0,0,1,0|2,0,0]=4 1396 B11R1.225 Cc1cc(c(s1)C(=O)OC)N PB15649 [0,1,0,0,1,0|2,0,0]=4 1397 B11R1.225 Cc1cc(c(s1)C(=O)OC)O MB02072 [0,1,0,0,1,0|1,0,0]=3 1398 B13R1.97 CC(C)Oc1cc(ccc1O)CN MB31710 [0,1,0,0,0,1|1,0,1]=4 1399 B13R1.97 CC(C)Oc1cc(ccc1O)NC MB34529 [0,1,0,0,0,1|1,0,1]=4 1400 B13R1.97 CC(C)Oc1cc(ccc1O)SC MB32564 [0,1,0,0,0,1|1,0,1]=4 1401 B13R1.97 CCc1ccc(c(c1)OC(C)C)O MB23907 [0,1,0,0,0,1|1,0,1]=4 1402 B13R1.97 Cc1ccc(cc1NC(=O)C)C=O AB63910 [0,1,0,0,0,1|1,0,1]=4 1403 B13R1.97 Cc1ccc(cc1NC(=O)C)CO AB63908 [0,1,0,0,0,1|1,0,0]=3 1404 B13R1.894 CS(=O)(=O)Nc1cc(ccc1O)Br MB34240 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.894 CS(=O)(=O)Nc1cc(ccc1O)Cl MB00650 [0,1,0,0,0,1|2,0,0]=4 1406 B13R1.894 CS(=O)(=O)Nc1cc(ccc1O)F MB34614 [0,1,0,0,0,1|2,0,0]=4 1407 B13R1.894 CS(=O)(=O)Nc1cc(ccc1O)I MB31052 [0,1,0,0,0,1|2,0,0]=4 1408 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)O MB03672 [0,1,0,0,0,1|1,0,0]=3 1409 B13R1.894 Cc1ccc(c(c1)OC(C)(C)C)O MB23439 [0,1,0,0,0,1|1,0,1]=4 1410 B13R1.897 Cc1ccc(c(c1)C(=O)N(C)C)O MB09412 [0,1,0,0,0,1|2,0,0]=4 1411 B13R1.897 Cc1ccc(c(c1)C(C(=O)O)N)C AB24609 [0,1,0,0,0,1|2,0,0]=4 1412 B13R1.165 B(c1ccc(cc1C(=O)O)Cl)(O)O AB26513 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.165 B(c1ccc(cc1C(=O)O)F)(O)O AB43739 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.165 B(c1ccc(cc1[N+](=O)[O-])C)(O)O AB26400 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.165 c1cc(c(cc1O)C(=O)N)C(=O)O MB31234 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.2209 CCc1ccc(cc1C(=O)NC)O MB23920 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.2209 CNC(=O)c1cc(ccc1C#N)O MB25215 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.2209 CNC(=O)c1cc(ccc1C=O)O MB25236 [0,2,0,0,0,0|1,0,1]=4 1419 B13R1.2209 CNC(=O)c1cc(ccc1CN)O MB25239 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.2209 CNC(=O)c1cc(ccc1OC)O MB25257 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.2209 CNC(=O)c1cc(ccc1SC)O MB25271 [0,2,0,0,0,0|1,1,0]=4 1422 B13R1.2209 CNc1ccc(cc1C(=O)NC)O MB34187 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.2209 COC(=O)c1cc(ccc1C#N)Cl MB05674 [0,2,0,0,0,0|2,0,0]=4 1424 B13R1.2209 COC(=O)c1cc(ccc1C=O)F MB09773 [0,2,0,0,0,0|1,0,1]=4 1425 B13R1.2209 COC(=O)c1cc(ccc1CBr)Br AB64112 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.2209 COC(=O)c1cc(ccc1CBr)Cl AB30438 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.2209 COC(=O)c1cc(ccc1CBr)F AB18074 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.2209 COc1c(cc(cn1)Br)C(=O)OC PB25026 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.2209 COc1c(cc(cn1)Cl)C(=O)OC AB65269 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.2209 COc1c(cc(cn1)F)C(=O)OC AB70571 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.2209 COc1c(cc(cn1)N)C(=O)OC AB66534 [0,2,0,0,0,0|2,0,0]=4 1432 B13R1.2209 COc1ccc(cc1C(=O)OC)N AB45660 [0,2,0,0,0,0|1,0,0]=3 1433 B13R1.2209 Cc1cc(c(cn1)CBr)C(=O)OC AB74324 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.2209 Cc1cc(c(nc1)CBr)C(=O)OC AB74353 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.2209 Cc1ccc(c(c1)C(=O)OC)CBr AB74304 [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.2209 Cc1ccc(c(n1)C(=O)OC)CBr AB74358 [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.2398 COc1cc(c(cc1C(=O)O)S)N AB21385 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.2430 COc1ccc(cc1C(=O)O)NN AB44342 [0,2,0,0,0,0|2,0,0]=4 1439 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CBr AB16503 [0,2,0,0,0,0|2,0,0]=4 1440 B13R1.98 CC(C)(C)c1cc(ccc1O)CN MB26719 [0,2,0,0,0,0|1,0,1]=4 1441 B13R1.98 CC(C)(C)c1cc(ccc1O)NC MB34013 [0,2,0,0,0,0|1,0,1]=4 1442 B13R1.98 CCc1ccc(c(c1)S(=O)(=O)N)O MB06223 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.98 CNc1ccc(c(c1)S(=O)(=O)N)O MB31241 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.98 COc1ccc(c(c1)S(=O)(=O)N)O MB35822 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)N)O MB35988 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.651 COc1cc(c(cc1F)N)C(=O)O PB24212 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.1807 CCC(=O)c1cc(c(cc1Cl)Cl)F AB24990 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.446 CCOC(=O)c1c(ccc(n1)C)N PB24389 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.446 CCOC(=O)c1cc(ccc1N)F AB62852 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.446 CCOC(=O)c1cc(ccc1N)O MB09082 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.446 CCOC(=O)c1cc(ccc1O)N MB09086 [0,2,0,0,0,0|1,0,0]=3 1452 B13R1.446 CCOC(=O)c1cc(cnc1C)C AB70789 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.446 CCOC(=O)c1cc(cnc1N)C AB71290 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.446 CCOC(=O)c1cc(cnc1O)C AB71292 [0,2,0,0,0,0|1,0,0]=3 1455 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O MB23866 [0,2,0,0,0,0|0,0,0]=2 1456 B13R1.2431 CNC(=O)c1cc(ccc1O)C#N MB25119 [0,2,0,0,0,0|0,0,1]=3 1457 B13R1.2431 CNC(=O)c1cc(ccc1O)C=O MB25127 [0,2,0,0,0,0|0,0,1]=3 1458 B13R1.2431 CNC(=O)c1cc(ccc1O)CN MB25152 [0,2,0,0,0,0|0,0,0]=2 1459 B13R1.2431 CNC(=O)c1cc(ccc1O)OC MB10053 [0,2,0,0,0,0|0,0,0]=2 1460 B13R1.2431 CNC(=O)c1cc(ccc1O)SC MB25282 [0,2,0,0,0,0|0,0,0]=2 1461 B13R1.2431 CNc1ccc(c(c1)C(=O)NC)O MB37342 [0,2,0,0,0,0|0,0,0]=2 1462 B13R1.2431 COc1cc(c(cn1)Br)C(=O)OC AB41197 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.2431 COc1ccc(c(c1)C(=O)OC)N AB49551 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.4789 Cc1c(cc(cc1N)Br)C(=O)OC PB11867 [0,2,0,0,0,0|2,0,0]=4 1465 B13R1.13 B(c1cc(c(nc1)O)C(=O)C)(O)O AB84263 [0,2,0,0,0,0|2,0,0]=4 1466 B13R1.13 B(c1ccc(c(c1)C(=O)C)F)(O)O AB57823 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.13 CC(=O)c1c(ccc(n1)C(=O)O)O AB84305 [0,2,0,0,0,0|1,0,1]=4 1468 B13R1.13 CC(=O)c1cc(c(nc1)N)C(=O)C AB83835 [0,2,0,0,0,0|2,0,0]=4 1469 B13R1.13 CC(=O)c1cc(c(nc1)O)C(=O)C AB84266 [0,2,0,0,0,0|1,0,0]=3 1470 B13R1.13 CC(=O)c1cc(ccc1N)[N+](=O)[O-] CB10133 [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.13 CC(=O)c1cc(cnc1O)C(=O)O AB84268 [0,2,0,0,0,0|1,0,1]=4 1472 B13R1.13 CC(=O)c1cc(ncc1N)C(=O)C AB83794 [0,2,0,0,0,0|2,0,0]=4 1473 B13R1.13 CC(=O)c1cc(ncc1O)C(=O)C AB84163 [0,2,0,0,0,0|1,0,0]=3 1474 B13R1.13 CC(=O)c1cc(ncc1O)C(=O)O AB84164 [0,2,0,0,0,0|1,0,1]=4 1475 B13R1.13 CC(=O)c1ccc(c(n1)C(=O)C)N AB83847 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.13 CC(=O)c1ccc(c(n1)C(=O)C)O AB84302 [0,2,0,0,0,0|1,0,0]=3 1477 B13R1.13 CC(C)c1cc(ccc1O)N(C)C MB22362 [0,2,0,0,0,0|1,0,1]=4 1478 B13R1.13 CC(C)c1ccc(c(c1)C(=O)N)O MB11925 [0,2,0,0,0,0|1,0,0]=3 1479 B13R1.13 CC(C)c1ccc(c(c1)C(=O)O)O MB09461 [0,2,0,0,0,0|1,0,0]=3 1480 B13R1.13 CC(C)c1ccc(c(c1)N(C)C)O MB22534 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.13 CN(C)c1ccc(c(c1)C(=O)N)O MB24837 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.13 CN(C)c1ccc(c(c1)C(=O)O)O MB24841 [0,2,0,0,0,0|1,0,0]=3 1483 B13R1.13 CN(C)c1ccc(c(c1)N(C)C)O MB24844 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.13 c1cc(c(cc1C(=O)N)C(=O)O)O MB32738 [0,2,0,0,0,0|1,0,1]=4 1485 B13R1.13 c1cc(c(cc1C(=O)O)C(=O)N)O MB30981 [0,2,0,0,0,0|1,0,1]=4 1486 B13R1.3340 COc1c(ccc(c1C(=O)O)O)Cl CB11855 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,1,1,0,0|1,0,1]=4 1488 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,0,0,1,0,0|2,0,0]=4 1489 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,0,0,1,0,0|0,0,1]=3 1490 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [1,0,0,1,0,0|2,0,0]=4 1491 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|1,0,1]=4 1492 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|1,0,1]=4 1493 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [1,0,0,1,0,0|2,0,0]=4 1494 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,1,0,0|2,0,0]=4 1495 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,0,0,1,0,0|1,0,1]=4 1496 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,0,0,1,0,0|1,0,1]=4 1497 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,0,0,1,0,0|1,0,1]=4 1498 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,0,0,1,0,0|1,0,1]=4 1499 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,1,0,0|1,0,1]=4 1500 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,1,0,0|2,0,0]=4 1501 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [1,0,0,1,0,0|1,0,0]=3 1502 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|0,0,0]=2 1503 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,1,0,0|2,0,0]=4 1504 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [1,0,0,1,0,0|1,0,1]=4 1505 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,1,0,0|2,0,0]=4 1506 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [1,0,0,1,0,0|1,0,1]=4 1507 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [1,0,0,1,0,0|2,0,0]=4 1508 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,0,0,1,0,1|2,0,0]=4 1509 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,0,0,1,0,1|2,0,0]=4 1510 B13R2.155 Cc1ccc2c(c1)CC(CO2)N AB45770 [0,0,0,1,0,1|1,0,1]=4 1511 B13R2.155 Cc1ccc2c(c1)C[C@@H](CO2)N AB56592 [0,0,0,1,0,1|1,0,1]=4 1512 B13R2.155 Cc1ccc2c(c1)C[C@H](CO2)N AB56610 [0,0,0,1,0,1|1,0,1]=4 1513 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,0,0,1,0,1|0,0,0]=2 1514 B13R2.155 Cc1ccc2c(n1)NC(=O)CC2 AB70359 [0,0,0,1,0,1|2,0,0]=4 1515 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [0,0,0,1,0,1|1,0,1]=4 1516 B13R2.155 c1c(cnc2c1NC(=O)CO2)Br AB09637 [0,0,0,1,0,1|2,0,0]=4 1517 B13R2.155 c1cc(nc2c1OCC(=O)N2)Br AB63171 [0,0,0,1,0,1|2,0,0]=4 1518 B13R2.155 c1cc(nc2c1OCC(=O)N2)N AB55946 [0,0,0,1,0,1|2,0,0]=4 1519 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,0,0,1,0,1|2,0,0]=4 1520 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,0,0,1,0,1|1,0,0]=3 1521 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,0,0,1,0,1|1,0,0]=3 1522 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,0,0,1,0,1|2,0,0]=4 1523 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,0,0,1,0,1|1,0,0]=3 1524 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,0,0,1,0,1|1,0,0]=3 1525 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,0,0,1,0,1|2,0,0]=4 1526 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,0,0,1,0,1|1,0,0]=3 1527 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,0,0,1,0,1|1,0,0]=3 1528 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,0,0,1,0,1|1,0,0]=3 1529 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,0,0,1,0,1|2,0,0]=4 1530 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [0,0,0,1,0,1|2,0,0]=4 1531 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,0,0,1,0,1|2,0,0]=4 1532 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [0,0,0,1,0,1|2,0,0]=4 1533 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,0,0,1,0,1|1,0,0]=3 1534 B13R2.175 Cc1ccc(c(c1)CC2CC2)O MB23434 [0,0,0,1,0,1|1,0,1]=4 1535 B13R2.162 Cc1cc2c(cn1)CCNC2=O AB77243 [0,1,0,1,0,0|2,0,0]=4 1536 B13R2.162 Cc1cc2c(nc1)CCCC2=O AB08509 [0,1,0,1,0,0|2,0,0]=4 1537 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 MB00615 [0,1,0,1,0,0|1,0,0]=3 1538 B13R2.162 Cc1ccc2c(c1)C(=O)CCN2 AB06464 [0,1,0,1,0,0|1,0,0]=3 1539 B13R2.162 Cc1ccc2c(c1)C(=O)NCC2 AB19138 [0,1,0,1,0,0|1,0,0]=3 1540 B13R2.162 Cc1ccc2c(c1)C(CCO2)N AB32595 [0,1,0,1,0,0|1,0,1]=4 1541 B13R2.162 Cc1ccc2c(c1)[C@@H](CCO2)N AB38577 [0,1,0,1,0,0|1,0,1]=4 1542 B13R2.162 Cc1ccc2c(c1)[C@H](CCO2)N AB38580 [0,1,0,1,0,0|1,0,1]=4 1543 B13R2.162 Cc1ccc2c(n1)C(=O)NCC2 AB77456 [0,1,0,1,0,0|2,0,0]=4 1544 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [0,1,0,1,0,0|1,0,1]=4 1545 B13R2.162 c1c(cnc2c1C(=O)CCO2)Br AB68931 [0,1,0,1,0,0|2,0,0]=4 1546 B13R2.162 c1c(cnc2c1C(=O)CCO2)Cl AB68930 [0,1,0,1,0,0|2,0,0]=4 1547 B13R2.162 c1cc(nc2c1COCC2=O)Br AB74030 [0,1,0,1,0,0|2,0,0]=4 1548 B13R2.162 c1cc(nc2c1COCC2=O)Cl AB74028 [0,1,0,1,0,0|2,0,0]=4 1549 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 AB11079 [0,1,0,1,0,0|2,0,0]=4 1550 B13R2.162 c1cc2c(cc1Br)C(=O)CCN2 AB06523 [0,1,0,1,0,0|2,0,0]=4 1551 B13R2.162 c1cc2c(cc1Br)C(=O)CCO2 AB06437 [0,1,0,1,0,0|1,0,0]=3 1552 B13R2.162 c1cc2c(cc1Br)C(=O)NCC2 AB45191 [0,1,0,1,0,0|2,0,0]=4 1553 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 AB10540 [0,1,0,1,0,0|2,0,0]=4 1554 B13R2.162 c1cc2c(cc1Cl)C(=O)CCN2 AB52856 [0,1,0,1,0,0|2,0,0]=4 1555 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 AB01419 [0,1,0,1,0,0|1,0,0]=3 1556 B13R2.162 c1cc2c(cc1Cl)C(=O)NCC2 AB19145 [0,1,0,1,0,0|2,0,0]=4 1557 B13R2.162 c1cc2c(cc1F)C(=O)CCC2 AB41848 [0,1,0,1,0,0|2,0,0]=4 1558 B13R2.162 c1cc2c(cc1F)C(=O)CCN2 AB52852 [0,1,0,1,0,0|2,0,0]=4 1559 B13R2.162 c1cc2c(cc1F)C(=O)CCO2 AB01746 [0,1,0,1,0,0|1,0,0]=3 1560 B13R2.162 c1cc2c(cc1F)C(=O)NCC2 AB19156 [0,1,0,1,0,0|2,0,0]=4 1561 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 PB31146 [0,1,0,1,0,0|2,0,0]=4 1562 B13R2.162 c1cc2c(cc1I)C(=O)CCC2 MB05367 [0,1,0,1,0,0|2,0,0]=4 1563 B13R2.162 c1cc2c(cc1I)C(=O)CCN2 AB52855 [0,1,0,1,0,0|2,0,0]=4 1564 B13R2.162 c1cc2c(cc1I)C(=O)CCO2 AB08840 [0,1,0,1,0,0|1,0,0]=3 1565 B13R2.162 c1cc2c(cc1N)C(=O)CCC2 MB04515 [0,1,0,1,0,0|2,0,0]=4 1566 B13R2.162 c1cc2c(cc1N)C(=O)NCC2 AB45199 [0,1,0,1,0,0|2,0,0]=4 1567 B13R2.162 c1cc2c(cc1O)C(=O)CCC2 MB01768 [0,1,0,1,0,0|2,0,0]=4 1568 B13R2.162 c1cc2c(cc1O)C(=O)NCC2 AB19148 [0,1,0,1,0,0|2,0,0]=4 1569 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB12240 [0,1,0,1,0,0|2,0,0]=4 1570 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB14798 [0,1,0,1,0,0|2,0,0]=4 1571 B13R2.11634 c1c2c(cc(c1Br)N)C(=O)CC2 MB05913 [0,1,0,1,0,0|2,0,0]=4 1572 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 AB49372 [0,1,0,1,0,0|2,0,0]=4 1573 B13R2.11634 c1c2c(cc(c1Cl)F)C(=O)CC2 AB70079 [0,1,0,1,0,0|2,0,0]=4 1574 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 AB65643 [0,1,0,1,0,0|2,0,0]=4 1575 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 AB42242 [0,1,0,1,0,0|2,0,0]=4 1576 B13R2.2136 Cc1ccc2c(c1)c(co2)C=O MB10419 [0,1,0,1,0,0|0,0,1]=3 1577 B13R2.2136 c1cc2c(cc1Br)c(co2)C=O MB10418 [0,1,0,1,0,0|1,0,1]=4 1578 B13R2.3028 CC1Cc2ccc(cc2C1=O)F MB00358 [0,1,0,1,0,0|2,0,0]=4 1579 B13R2.3028 CN1Cc2ccc(cc2C1=O)N PB22663 [0,1,0,1,0,0|2,0,0]=4 1580 B13R2.5151 Cc1ccc(c2c1CNC2=O)N AB63855 [0,1,0,1,0,0|1,0,0]=3 1581 B13R2.5151 c1cc(c2c(c1F)CCC2=O)F AB42243 [0,1,0,1,0,0|2,0,0]=4 1582 B13R2.5151 c1cc(c2c(c1N)C(=O)NC2)Br AB63856 [0,1,0,1,0,0|2,0,0]=4 1583 B13R2.5151 c1cc(c2c(c1O)CCC2=O)Cl MB02134 [0,1,0,1,0,0|2,0,0]=4 1584 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,1,0,1,0,0|0,0,0]=2 1585 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [0,1,0,1,0,0|2,0,0]=4 1586 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [0,1,0,1,0,0|2,0,0]=4 1587 B13R2.669 COc1ccc2c(c1)C(CO2)N AB49134 [0,1,0,1,0,0|1,0,1]=4 1588 B13R2.669 COc1ccc2c(c1)c(no2)Cl AB72257 [0,1,0,1,0,0|2,0,0]=4 1589 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 AB44851 [0,1,0,1,0,0|1,0,0]=3 1590 B13R2.669 c1cc2c(cc1C#N)C(=O)CC2 MB02308 [0,1,0,1,0,0|1,0,1]=4 1591 B13R2.669 c1cc2c(cc1CN)C(=O)NC2 PB30477 [0,1,0,1,0,0|2,0,0]=4 1592 B13R2.3742 Cc1cc(cc2c1CCC2=O)F MB06887 [0,1,0,1,0,0|2,0,0]=4 1593 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Br)F MB06885 [0,1,0,1,0,0|2,0,0]=4 1594 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)Cl AB44852 [0,1,0,1,0,0|2,0,0]=4 1595 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)F AB49514 [0,1,0,1,0,0|2,0,0]=4 1596 B13R2.3742 c1c(cc(c2c1C(=O)CC2)F)Cl AB66378 [0,1,0,1,0,0|2,0,0]=4 1597 B13R2.3742 c1c(cc(c2c1C(=O)CC2)F)F AB21236 [0,1,0,1,0,0|2,0,0]=4 1598 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl MB06384 [0,1,0,1,0,0|1,0,0]=3 1599 B13R2.3742 c1c(cc(c2c1C(=O)CO2)F)F MB06390 [0,1,0,1,0,0|1,0,0]=3 1600 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [1,0,0,0,1,0|2,0,0]=4 1601 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [1,0,0,0,1,0|2,0,0]=4 1602 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [1,0,0,0,1,0|2,0,0]=4 1603 B9R1.41 CC(=O)c1ccsc1N AB71423 [1,0,0,0,1,0|2,0,0]=4 1604 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [1,0,0,0,1,0|2,0,0]=4 1605 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [1,0,0,0,1,0|2,0,0]=4 1606 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [1,0,0,0,1,0|2,0,0]=4 1607 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [1,0,0,0,1,0|2,0,0]=4 1608 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [1,0,0,0,1,0|2,0,0]=4 1609 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [1,0,0,0,1,0|2,0,0]=4 1610 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [1,0,0,0,1,0|2,0,0]=4 1611 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [1,0,0,0,1,0|2,0,0]=4 1612 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,0,0,0,1,0|2,0,0]=4 1613 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [1,0,0,0,1,0|1,0,0]=3 1614 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,0,0,0,1,0|2,0,0]=4 1615 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [1,0,0,0,1,0|2,0,0]=4 1616 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [1,0,0,0,0,1|2,0,0]=4 1617 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,0,0,0,0,1|1,0,0]=3 1618 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [1,0,0,0,0,1|2,0,0]=4 1619 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [1,0,0,0,0,1|2,0,0]=4 1620 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [1,0,0,0,0,1|1,0,0]=3 1621 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [1,0,0,0,0,1|2,0,0]=4 1622 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [1,0,0,0,0,1|1,0,1]=4 1623 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,0,0,0,0,1|0,0,0]=2 1624 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [1,0,0,0,0,1|1,0,0]=3 1625 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,0,0,0,0,1|2,0,0]=4 1626 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [1,0,0,0,0,1|2,0,0]=4 1627 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [1,0,0,0,0,1|2,0,0]=4 1628 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,0,0,0,0,1|2,0,0]=4