0 B10R1.61 B(c1c(cccn1)O)(O)O AB48454 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 B(c1cccnc1O)(O)O AB59785 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 B(c1ccncc1O)(O)O AB67807 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 B(c1cnccc1O)(O)O AB59789 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 CC(C)c1ccncc1O MB22678 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.61 CC(C)c1cnccc1O MB22684 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.61 CC(C)c1cncnc1Cl AB55647 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.61 CN(C)c1ccccc1O MB08302 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.61 CN(C)c1ccncc1O MB24982 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 CN(C)c1cnccc1O MB24989 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 CC(c1ccncc1)N AB11609 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 CC(c1ccncn1)N PB34498 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 CC(c1ccnnc1)N PB22705 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.6 CC(c1cncnc1)N PB22435 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.6 CC(c1ncccn1)N AB59468 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.6 CN(C)c1ncccn1 AB64628 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 c1cc(cnc1)C(F)F AB64034 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.6 c1ccnc(c1)C(F)F AB64042 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 C#Cc1ccccc1Br AB10375 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.15 C#Cc1cccnc1O AB69073 [1,0,0,0,0,0|1,0,2]=4 86 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.15 CCc1c(cncn1)F PB21906 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 CCc1ccncc1O MB12325 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.15 CCc1cnccc1Br PB37149 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.15 CCc1cnccc1O MB24095 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.15 CCc1cncnc1Cl AB62552 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 CNc1cccnc1Br AB39252 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 CNc1ccncc1O MB27525 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.15 CNc1cnccc1O MB29366 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.15 COc1c(cccn1)Br PB20024 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 COc1c(cccn1)Cl AB13603 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 COc1c(cccn1)F AB13397 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 COc1c(cccn1)I AB13400 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 COc1c(cccn1)N AB07386 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 COc1cccnc1Br PB29151 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 COc1cccnc1Cl AB14749 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 COc1cccnc1I AB05182 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 COc1cccnc1N AB40614 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.15 COc1ccncc1Br AB22230 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 COc1ccncc1Cl AB51203 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 COc1ccncc1F AB66775 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 COc1ccncc1I AB09106 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 COc1ccncc1N AB40817 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 COc1ccncc1O MB09117 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.15 COc1cnccc1Br AB43705 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 COc1cnccc1Br MB09674 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 COc1cnccc1Cl AB66368 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.15 COc1cnccc1F AB66590 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 COc1cnccc1N AB55709 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.15 COc1cnccc1O MB25455 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.15 CSc1cccnc1Br MB13966 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 CSc1ccncc1O MB25632 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 CSc1cnccc1O MB31499 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.15 Cc1c(cccn1)CN AB14093 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.15 Cc1c(cccn1)OC AB03569 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.15 Cc1cccnc1CN AB20671 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.15 Cc1cccnc1OC AB31414 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.15 Cc1ccncc1CCl PB22427 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 Cc1ccncc1CN PB14440 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.15 Cc1ccncc1CO PB21746 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 Cc1cnccc1CCl PB24122 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 Cc1cnccc1CN AB17090 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.15 Cc1cnccc1CO PB32359 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,0,0,0,0|1,0,0]=2 171 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.15 c1cncc(c1Br)CN AB67954 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.15 c1cncc(c1C#N)O MB12322 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.15 c1cncc(c1C=O)O AB08714 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.15 c1cncc(c1CCl)Br AB67648 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.15 c1cncc(c1CCl)Cl AB67608 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.15 c1cncc(c1CCl)F AB67665 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.15 c1cncc(c1CN)Br AB63141 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 c1cncc(c1CN)Cl AB63139 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 c1cncc(c1CN)F AB63136 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 c1cncc(c1CN)N AB49287 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 c1cncc(c1CN)O MB09249 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.15 c1cncc(c1CO)Br PB19192 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 c1cncc(c1CO)F PB29849 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 c1cncc(c1CO)N AB25787 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 c1cncc(c1F)CCl AB68054 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 c1cncc(c1F)CN AB68023 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 c1cncc(c1N)CCl AB31893 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.15 c1cncc(c1N)CO PB14435 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.15 c1cncc(c1O)C#N MB01597 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.15 c1cncc(c1O)CN MB35531 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.53 CC(C)c1cccnc1C=O AB65916 [0,1,0,0,0,0|1,0,1]=3 200 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.53 CC(c1cnccc1OC)N AB67900 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.53 COc1ccccc1C(=S)N AB21279 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.87 CC(C)(C)c1c(cccn1)O MB01150 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.87 CC(C)(C)c1c(nccn1)Cl MB13968 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.87 CC(C)(C)c1ccccc1N MB00719 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.87 CC(C)(C)c1ccncc1O MB21867 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.87 CC(C)(C)c1cnccc1O MB21874 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.87 CC(C)(c1ccccc1Br)N AB63424 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.87 CC(C)(c1ccccc1Cl)N AB64318 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.87 CC(C)(c1cccnc1Cl)N AB67370 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.87 C[Si](C)(C)c1c(cccn1)Cl AB43520 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.87 C[Si](C)(C)c1ccccc1O AB54787 [0,1,0,0,0,0|0,1,0]=2 215 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.87 [B-](c1ccccc1O)(F)(F)F AB42650 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.87 c1cc(c(nc1)C(F)(F)F)O AB66785 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.87 c1cc(c(nc1)O)C(F)(F)F AB04092 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)N MB25652 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.87 c1cncc(c1C(F)(F)F)O MB09036 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.87 c1cncc(c1O)C(F)(F)F MB13374 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.156 CC(=O)c1c(cncc1Br)O AB84134 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.156 CC(=O)c1c(cncc1Cl)O AB84135 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.156 CC(=O)c1c(cncc1O)N AB84138 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.156 CC(C)c1c(cccc1Br)O MB22335 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.156 CC(C)c1c(cccc1Cl)O MB22338 [0,1,0,0,0,0|0,0,0]=1 233 B11R1.156 CC(C)c1c(cccc1F)O MB22319 [0,1,0,0,0,0|0,0,0]=1 234 B11R1.156 CC(C)c1c(cccc1I)O MB22320 [0,1,0,0,0,0|0,0,0]=1 235 B11R1.156 CC(C)c1c(cccc1O)N MB22301 [0,1,0,0,0,0|0,0,0]=1 236 B11R1.156 CN(C)c1c(cccc1Br)O MB24668 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.156 CN(C)c1c(cccc1Cl)O MB24669 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.156 CN(C)c1c(cccc1F)O MB24657 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.156 CN(C)c1c(cccc1I)O MB24659 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.156 CN(C)c1c(cccc1O)N MB24642 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [0,1,0,0,0,0|0,0,0]=1 245 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.159 B(c1cccc(c1O)Cl)(O)O AB48275 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.159 B(c1cccc(c1O)F)(O)O AB42638 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.159 CC(C)c1c(c(ncn1)Cl)Cl AB54893 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.159 CC(C)c1c(c(ncn1)N)Cl AB54963 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.159 CC(C)c1c(c(ncn1)O)Cl AB54889 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,1,0,0,0,0|0,0,0]=1 279 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,1,0,0,0,0|0,0,0]=1 280 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,1,0,0,0,0|0,0,0]=1 281 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,1,0,0,0,0|0,0,0]=1 282 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,1,0,0,0,0|0,0,0]=1 283 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,1,0,0,0,0|0,0,0]=1 298 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,1,0,0,0,0|2,0,1]=4 302 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.166 B(c1ccc(cc1O)F)(O)O AB20352 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,1,0,0,0,0|2,0,1]=4 314 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,1,0,0,0,0|1,0,1]=3 318 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.166 CC(C)c1ccc(cc1Br)O MB22589 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.166 CC(C)c1ccc(cc1Cl)O MB22592 [0,1,0,0,0,0|1,0,0]=2 326 B11R1.166 CC(C)c1ccc(cc1F)O MB22574 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.166 CC(C)c1ccc(cc1I)O MB22578 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.166 CC(C)c1ccc(cc1O)Br MB22598 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,1,0,0,0,0|0,0,0]=1 330 B11R1.166 CC(C)c1ccc(cc1O)F MB22513 [0,1,0,0,0,0|0,0,0]=1 331 B11R1.166 CC(C)c1ccc(cc1O)I MB22516 [0,1,0,0,0,0|0,0,0]=1 332 B11R1.166 CC(C)c1ccc(cc1O)N MB22522 [0,1,0,0,0,0|0,0,0]=1 333 B11R1.166 CN(C)c1ccc(cc1Br)O MB24896 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.166 CN(C)c1ccc(cc1Cl)O MB24897 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.166 CN(C)c1ccc(cc1F)O MB24879 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.166 CN(C)c1ccc(cc1I)O MB24881 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.166 CN(C)c1ccc(cc1N)O MB24885 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.166 CN(C)c1ccc(cc1O)Br MB24904 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.166 CN(C)c1ccc(cc1O)F MB24817 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.166 CN(C)c1ccc(cc1O)I MB24820 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.166 CN(C)c1ccc(cc1O)N MB24828 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.166 Cc1cc(ccc1N(C)C)Br AB31930 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.166 Cc1cc(ccc1N(C)C)O MB08301 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,1,0,0,0,0|0,0,0]=1 349 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.167 B(c1cc(ccc1O)Br)(O)O AB03340 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.167 CC(=O)c1cc(ncc1O)Br AB69693 [0,1,0,0,0,0|2,0,1]=4 371 B11R1.167 CC(=O)c1cc(ncc1O)Cl AB69292 [0,1,0,0,0,0|2,0,1]=4 372 B11R1.167 CC(=O)c1cc(ncc1O)N AB84159 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [0,1,0,0,0,0|1,0,0]=2 374 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [0,1,0,0,0,0|0,0,0]=1 379 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [0,1,0,0,0,0|0,0,0]=1 380 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [0,1,0,0,0,0|0,0,0]=1 381 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [0,1,0,0,0,0|0,0,0]=1 382 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [0,1,0,0,0,0|0,0,0]=1 383 B11R1.167 CC(C)c1cc(nnc1Cl)Cl AB73251 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [0,1,0,0,0,0|1,0,0]=2 390 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [0,1,0,0,0,0|0,0,0]=1 398 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,0|1,0,1]=3 408 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,0,0|1,0,1]=3 413 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,0|2,0,1]=4 416 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|2,0,1]=4 417 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|2,0,0]=3 418 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,1,0,0|3,0,0]=4 419 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|3,0,0]=4 420 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,1,0,0|2,0,1]=4 421 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,1,0,0|2,0,0]=3 422 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|1,0,1]=3 423 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|1,0,0]=2 424 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,0,0,1,0,0|3,0,0]=4 425 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|2,0,0]=3 426 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|3,0,0]=4 427 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|2,0,0]=3 428 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|2,0,0]=3 429 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,1,0,0|1,0,2]=4 430 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,0,0,1,0,0|2,0,1]=4 431 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,0,0,1,0,0|2,0,0]=3 432 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,0,0,1,0,0|3,0,0]=4 433 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,0,0,0,0,1|1,0,1]=3 434 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,0,0,0,0,1|2,0,0]=3 435 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,0,0,0,0,1|1,0,0]=2 436 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.86 CC(C)Oc1ccncc1O MB23246 [0,0,0,0,0,1|1,0,0]=2 438 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,0,0,0,0,1|1,0,0]=2 439 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,0,0,0,0,1|2,0,0]=3 440 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,0,0,0,0,1|2,0,0]=3 441 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,0,0,0,0,1|2,0,0]=3 442 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,0,0,0,0,1|2,0,0]=3 443 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,0,0,0,0,1|2,0,0]=3 444 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|1,0,0]=3 458 B8R1.5 Cc1c(nccn1)O PB12942 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.5 Cc1cccnc1Br AB05448 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.5 Cc1cccnc1Cl AB05179 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.5 Cc1cccnc1N AB17908 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|1,0,0]=3 463 B8R1.5 Cc1ccncc1Br AB03104 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.5 Cc1ccncc1Cl AB18019 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.5 Cc1ccncc1F AB18002 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.5 Cc1ccncc1N PB14127 [2,0,0,0,0,0|2,0,0]=4 467 B8R1.5 Cc1ccncc1O PB23391 [2,0,0,0,0,0|1,0,0]=3 468 B8R1.5 Cc1cnccc1Br AB20846 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.5 Cc1cnccc1Br PB23248 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.5 Cc1cnccc1Cl AB11511 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.5 Cc1cnccc1F AB18013 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.5 Cc1cnccc1N PB17234 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.5 Cc1cncnc1O AB09558 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.5 c1cc(c(nc1)Br)O PB28951 [2,0,0,0,0,0|2,0,0]=4 475 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.5 c1cc(c(nc1)I)O MB00322 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.5 c1cc(c(nc1)N)O AB00700 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.5 c1cc(c(nc1)N)O AB17906 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.5 c1cc(c(nc1)O)Br PB12284 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.5 c1cc(c(nc1)O)F AB13427 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.5 c1cc(c(nc1)O)I AB53303 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.5 c1cc(c(nc1)O)N PB30752 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.5 c1cncc(c1Br)O AB13187 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.5 c1cncc(c1Cl)O AB12281 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.5 c1cncc(c1F)O AB64515 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.5 c1cncc(c1I)O MB06807 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.5 c1cncc(c1O)Br AB09574 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.5 c1cncc(c1O)F AB18011 [2,0,0,0,0,0|2,0,0]=4 489 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.13 CC(C)c1ccc(nn1)Cl MB11649 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.13 CC(C)c1ncc(cn1)Br PB22629 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.13 CC(C)c1ncc(cn1)Cl AB59147 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.13 CC(C)c1ncc(cn1)N AB58991 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.13 CN(C)c1ccc(cn1)Br AB03372 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.13 CN(C)c1ccc(cn1)Cl AB67483 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.13 CN(C)c1ccc(cn1)N PB31328 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.15 CC(c1cccnc1)NC CB11165 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.28 CC(C)(c1ccccn1)N AB48746 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.28 CC(C)(c1cccnc1)N AB48740 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.28 CC(C)(c1ccncc1)N AB48742 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.113 CC(C)c1cc(ncn1)Br MB09511 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.113 CC(C)c1cc(ncn1)Cl AB51366 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.113 CC(C)c1cc(ncn1)N AB54959 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.113 CC(C)c1cc(ncn1)O AB54885 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.113 CC(C)c1nccc(n1)Br AB63999 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.113 CC(C)c1nccc(n1)Cl AB51255 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.113 CN(C)c1cccc(n1)Br AB54123 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.113 CN(C)c1ccnc(c1)Br CB11468 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.113 CN(C)c1ccnc(c1)Cl MB06813 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.2 CCc1cccc(c1Br)O MB24080 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.2 CCc1cccc(c1C)O MB24030 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.2 CCc1cccc(c1Cl)O MB24081 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.2 CCc1cccc(c1F)O MB24054 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.2 CCc1cccc(c1I)O MB24055 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.2 CCc1cccc(c1N)O MB24059 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,1,0,0,0,0|0,0,0]=2 561 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,1,0,0,0,0|0,0,0]=2 562 B10R1.2 CCc1cccc(c1O)F MB24014 [1,1,0,0,0,0|0,0,0]=2 563 B10R1.2 CCc1cccc(c1O)I MB24016 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.2 CCc1cccc(c1O)N MB24022 [1,1,0,0,0,0|0,0,0]=2 565 B10R1.2 CNc1cccc(c1Br)O MB28270 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.2 CNc1cccc(c1Cl)O MB26964 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.2 CNc1cccc(c1F)O MB34647 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.2 CNc1cccc(c1I)O MB29498 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.2 CNc1cccc(c1N)O MB33054 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.2 CNc1cccc(c1O)F MB28274 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.2 CNc1cccc(c1O)I MB32214 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.2 CNc1cccc(c1O)N MB33525 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.2 COc1cccc(c1Br)O MB06929 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.2 COc1cccc(c1Cl)N PB11874 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.2 COc1cccc(c1Cl)O MB06074 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.2 COc1cccc(c1F)O MB09318 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.2 COc1cccc(c1I)O MB14766 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.2 COc1cccc(c1N)O MB12204 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.2 COc1cccc(c1O)Br PB18847 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.2 COc1cccc(c1O)I MB09225 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.2 COc1cccc(c1O)N MB25613 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.2 COc1ccnc(c1O)Cl AB71167 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.2 COc1cncc(c1O)Cl AB75737 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.2 CSc1cccc(c1Br)O MB26789 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.2 CSc1cccc(c1Cl)O MB33312 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.2 CSc1cccc(c1F)O MB25404 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.2 CSc1cccc(c1I)O MB31760 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.2 CSc1cccc(c1N)O MB32351 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.2 CSc1cccc(c1O)F MB25614 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.2 CSc1cccc(c1O)I MB28360 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.2 CSc1cccc(c1O)N MB28757 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.2 Cc1c(cccc1O)NC MB37053 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.2 Cc1c(cccc1OC)O MB09432 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.2 Cc1cccc(c1N)CN MB08906 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.2 Cc1cccc(c1N)OC AB02877 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.2 Cc1cccc(c1O)C#N MB07838 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.2 Cc1cccc(c1O)CN MB05058 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|0,0,0]=2 655 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.20 COc1c(cccn1)CCl AB54482 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.20 COc1c(cccn1)CN PB10680 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.20 COc1c(cccn1)CN PB15194 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.20 COc1c(cccn1)CO PB20446 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.20 COc1ccccc1C#N AB00156 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.20 COc1ccccc1C=O AB00311 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.20 COc1cccnc1CCl AB60052 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.20 COc1cccnc1CN AB40619 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.20 COc1cccnc1CO MB05449 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.20 COc1cccnc1OC AB13430 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.20 COc1ccncc1CCl AB68800 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.20 COc1ccncc1CN AB67859 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.20 COc1cnccc1CCl AB67554 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.20 COc1cnccc1CN AB63142 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.20 CSc1c(cccn1)CO MB07043 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|0,0,0]=2 686 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|0,0,0]=2 687 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|0,0,0]=2 688 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|0,0,0]=2 689 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|0,0,0]=2 690 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.25 CCn1ccc(cc1=O)N PB23013 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.25 COc1cnc(cc1O)Cl AB69306 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [1,1,0,0,0,0|1,0,1]=4 731 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|0,0,0]=2 749 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|0,0,0]=2 750 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|0,0,0]=2 751 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|0,0,0]=2 752 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|0,0,0]=2 753 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.30 COc1cc(ccc1F)O MB08744 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.30 COc1cc(ccc1I)O MB29625 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.30 COc1cc(ccc1N)F MB00562 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.30 COc1cc(ccc1N)O MB01122 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.30 COc1cc(ccc1O)I MB05217 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.30 Cc1ccc(cc1CN)O MB26411 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.245 CCc1c(cccc1Br)O MB23614 [1,1,0,0,0,0|0,0,0]=2 812 B10R1.245 CCc1c(cccc1Cl)O MB23615 [1,1,0,0,0,0|0,0,0]=2 813 B10R1.245 CCc1c(cccc1F)O MB23585 [1,1,0,0,0,0|0,0,0]=2 814 B10R1.245 CCc1c(cccc1I)O MB23587 [1,1,0,0,0,0|0,0,0]=2 815 B10R1.245 CCc1c(cccc1O)C MB23554 [1,1,0,0,0,0|0,0,0]=2 816 B10R1.245 CCc1c(cccc1O)N MB23558 [1,1,0,0,0,0|0,0,0]=2 817 B10R1.245 CNc1c(cccc1Br)O MB31500 [1,1,0,0,0,0|1,0,0]=3 818 B10R1.245 CNc1c(cccc1Cl)O MB33359 [1,1,0,0,0,0|1,0,0]=3 819 B10R1.245 CNc1c(cccc1F)O MB29137 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.245 CNc1c(cccc1I)O MB30346 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.245 CNc1c(cccc1O)N MB01610 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.245 COc1c(cccc1Br)F AB21504 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.245 COc1c(cccc1Br)O MB09199 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.245 COc1c(cccc1Cl)O MB34190 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.245 COc1c(cccc1F)N MB00204 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.245 COc1c(cccc1I)O MB33689 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.245 COc1c(cccc1O)N MB14425 [1,1,0,0,0,0|1,0,0]=3 828 B10R1.245 CSc1c(cccc1Br)O MB32344 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.245 CSc1c(cccc1Cl)O MB25403 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.245 CSc1c(cccc1I)O MB36697 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.245 CSc1c(cccc1O)N MB26572 [1,1,0,0,0,0|1,0,0]=3 832 B10R1.245 Cc1cccc(c1C#N)O MB02406 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.245 Cc1cccc(c1C=O)O MB14829 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.245 Cc1cccc(c1CCl)C AB08451 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.245 Cc1cccc(c1CN)O MB25667 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.245 Cc1cccc(c1CO)C AB03562 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.245 Cc1cccc(c1OC)O MB33579 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.245 Cc1cccc(c1SC)O MB08534 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [1,1,0,0,0,0|1,0,1]=4 845 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [1,1,0,0,0,0|1,0,1]=4 847 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [1,1,0,0,0,0|1,0,1]=4 850 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [1,1,0,0,0,0|1,0,1]=4 852 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [1,1,0,0,0,0|1,0,1]=4 853 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [1,1,0,0,0,0|1,0,0]=3 854 B12R1.75 CC(C)Oc1c(cccn1)C=O AB30397 [0,1,0,0,0,1|1,0,1]=4 855 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,1,0,0,0,1|1,0,0]=3 856 B12R1.124 CN(C)C(=O)c1c(cccn1)O MB12021 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [0,1,0,0,0,1|1,0,0]=3 858 B12R1.124 CN(C)C(=O)c1ccncc1O MB24543 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.127 CC(C)Oc1cc(ccc1Br)O MB22969 [0,1,0,0,0,1|1,0,0]=3 861 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,1,0,0,0,1|1,0,0]=3 862 B12R1.127 CC(C)Oc1cc(ccc1F)O MB22948 [0,1,0,0,0,1|1,0,0]=3 863 B12R1.127 CC(C)Oc1cc(ccc1I)O MB22951 [0,1,0,0,0,1|1,0,0]=3 864 B12R1.127 CC(C)Oc1cc(ccc1N)F AB09449 [0,1,0,0,0,1|1,0,0]=3 865 B12R1.127 CC(C)Oc1cc(ccc1N)O MB22955 [0,1,0,0,0,1|1,0,0]=3 866 B12R1.127 CC(C)Oc1cc(ccc1O)Br MB22976 [0,1,0,0,0,1|0,0,0]=2 867 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [0,1,0,0,0,1|0,0,0]=2 868 B12R1.127 CC(C)Oc1cc(ccc1O)F MB22871 [0,1,0,0,0,1|0,0,0]=2 869 B12R1.127 CC(C)Oc1cc(ccc1O)I MB22873 [0,1,0,0,0,1|0,0,0]=2 870 B12R1.127 CC(C)Oc1cc(ccc1O)N MB22877 [0,1,0,0,0,1|0,0,0]=2 871 B12R1.127 CN(C)Cc1cc(ccc1Br)O AB25672 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.127 Cc1ccc(c(c1)OC(C)C)O MB22829 [0,1,0,0,0,1|0,0,0]=2 873 B12R1.127 Cc1ccc(cc1OC(C)C)O MB22921 [0,1,0,0,0,1|1,0,0]=3 874 B12R1.151 CC(C)(C)Oc1c(cccn1)O MB22208 [0,1,0,0,0,1|1,0,0]=3 875 B12R1.151 CC(C)(C)Oc1ccccc1O MB22200 [0,1,0,0,0,1|0,0,0]=2 876 B12R1.151 CC(C)(C)Oc1cccnc1Br MB20008 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.151 CC(C)(C)Oc1cccnc1Cl MB20010 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.151 CC(C)(C)Oc1ccncc1O MB22204 [0,1,0,0,0,1|1,0,0]=3 879 B12R1.151 CC(C)(C)Oc1cnccc1Br MB20009 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.151 CC(C)(C)Oc1cnccc1Cl MB20014 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.151 CC(C)(C)Oc1cnccc1O MB22206 [0,1,0,0,0,1|1,0,0]=3 882 B12R1.151 CC(C)(C)Sc1cccnc1N PB18676 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.151 CC(C)(C)Sc1cnccc1N AB25863 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.151 CC(C)(Cc1ccccc1Br)N AB64466 [0,1,0,0,0,1|1,0,0]=3 885 B12R1.151 CC(C)(Cc1ccccc1Cl)N AB07476 [0,1,0,0,0,1|1,0,0]=3 886 B12R1.151 CC(C)(Cc1ccccc1F)N AB54578 [0,1,0,0,0,1|1,0,0]=3 887 B12R1.151 CC(C)(Cc1ccccc1N)N AB68846 [0,1,0,0,0,1|1,0,0]=3 888 B12R1.224 CC(C)Oc1cccc(c1Br)O MB23236 [0,1,0,0,0,1|1,0,0]=3 889 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,1,0,0,0,1|1,0,0]=3 890 B12R1.224 CC(C)Oc1cccc(c1F)O MB23211 [0,1,0,0,0,1|1,0,0]=3 891 B12R1.224 CC(C)Oc1cccc(c1I)O MB23215 [0,1,0,0,0,1|1,0,0]=3 892 B12R1.224 CC(C)Oc1cccc(c1N)O MB23219 [0,1,0,0,0,1|1,0,0]=3 893 B12R1.224 CC(C)Oc1cccc(c1O)Br MB04729 [0,1,0,0,0,1|0,0,0]=2 894 B12R1.224 CC(C)Oc1cccc(c1O)Cl MB23245 [0,1,0,0,0,1|0,0,0]=2 895 B12R1.224 CC(C)Oc1cccc(c1O)F MB23178 [0,1,0,0,0,1|0,0,0]=2 896 B12R1.224 CC(C)Oc1cccc(c1O)I MB23180 [0,1,0,0,0,1|0,0,0]=2 897 B12R1.224 CC(C)Oc1cccc(c1O)N MB23185 [0,1,0,0,0,1|0,0,0]=2 898 B12R1.224 Cc1c(cccc1OC(C)C)O MB09429 [0,1,0,0,0,1|1,0,0]=3 899 B12R1.224 Cc1cccc(c1O)OC(C)C MB23167 [0,1,0,0,0,1|0,0,0]=2 900 B12R1.233 CC(C)Oc1c(cc(cn1)Br)I AB31061 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,1,0,0,0,1|1,0,0]=3 902 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,1,0,0,0,1|1,0,0]=3 903 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,1,0,0,0,1|1,0,0]=3 904 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,1,0,0,0,1|1,0,0]=3 905 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,1,0,0,0,1|0,0,0]=2 907 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,1,0,0,0,1|0,0,0]=2 908 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,1,0,0,0,1|0,0,0]=2 909 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,1,0,0,0,1|0,0,0]=2 910 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,1,0,0,0,1|0,0,0]=2 911 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,1,0,0,0,1|1,0,0]=3 912 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,1,0,0,0,1|0,0,0]=2 913 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,1,0,0,0,1|1,0,0]=3 914 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,1,0,0,0,1|1,0,0]=3 915 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,1,0,0,0,1|1,0,0]=3 916 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,1,0,0,0,1|1,0,0]=3 917 B12R1.1009 CC(C)Oc1c(cccc1Br)O MB12055 [0,1,0,0,0,1|0,0,0]=2 918 B12R1.1009 CC(C)Oc1c(cccc1Cl)O MB22820 [0,1,0,0,0,1|0,0,0]=2 919 B12R1.1009 CC(C)Oc1c(cccc1F)O MB22807 [0,1,0,0,0,1|0,0,0]=2 920 B12R1.1009 CC(C)Oc1c(cccc1I)O MB22810 [0,1,0,0,0,1|0,0,0]=2 921 B12R1.1009 CC(C)Oc1c(cccc1O)N MB22781 [0,1,0,0,0,1|0,0,0]=2 922 B12R1.1009 Cc1cccc(c1OC(C)C)O MB22780 [0,1,0,0,0,1|0,0,0]=2 923 B12R1.46 CC(C)c1cc(ccc1C#N)O MB22429 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.46 CC(C)c1cc(ccc1C=O)O MB22442 [0,2,0,0,0,0|0,0,1]=3 925 B12R1.46 CC(C)c1cc(ccc1CN)O MB37989 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.46 CC(C)c1cc(ccc1NC)O MB36853 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.46 CC(C)c1cc(ccc1OC)O MB02677 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.46 CC(c1cc(ccc1CO)O)N MB69420 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.46 CCc1ccc(cc1C(C)C)O MB23928 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.46 CCc1ccc(cc1N(C)C)O MB08304 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.46 CN(C)c1cc(ccc1C#N)O MB35525 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.46 CN(C)c1cc(ccc1C=O)O MB36667 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.46 CN(C)c1cc(ccc1CN)O MB30053 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.46 CN(C)c1cc(ccc1SC)O MB27113 [0,2,0,0,0,0|1,1,0]=4 935 B12R1.46 CNc1ccc(cc1N(C)C)O MB32726 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.57 CC(C)c1ccc(cc1C#N)O MB22554 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.57 CC(C)c1ccc(cc1C=O)O MB22572 [0,2,0,0,0,0|0,0,1]=3 938 B12R1.57 CC(C)c1ccc(cc1CN)O MB38827 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.57 CC(C)c1ccc(cc1NC)O MB35650 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.57 CC(C)c1ccc(cc1OC)O MB33914 [0,2,0,0,0,0|0,0,0]=2 941 B12R1.57 CC(C)c1ccc(cc1SC)O MB30926 [0,2,0,0,0,0|0,1,0]=3 942 B12R1.57 CCc1cc(ccc1C(C)C)O MB23739 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.57 CCc1cc(ccc1N(C)C)O MB23760 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.57 CN(C)c1ccc(cc1C=O)O MB34074 [0,2,0,0,0,0|1,0,1]=4 945 B12R1.57 CN(C)c1ccc(cc1CN)O MB35314 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.57 CN(C)c1ccc(cc1OC)O MB25710 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.57 CN(C)c1ccc(cc1SC)O MB32058 [0,2,0,0,0,0|1,1,0]=4 948 B12R1.57 CNc1cc(ccc1N(C)C)O MB34495 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.76 CC(C)(c1ccccc1OC)N AB54647 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.76 CC(C)(c1cccnc1OC)N AB67115 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.87 CC(C)c1cccc(c1C#N)O MB22628 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.87 CC(C)c1cccc(c1C=O)O MB22645 [0,2,0,0,0,0|0,0,1]=3 954 B12R1.87 CC(C)c1cccc(c1CN)O MB34002 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.87 CC(C)c1cccc(c1NC)O MB36681 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.87 CC(C)c1cccc(c1OC)N CB11258 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.87 CC(C)c1cccc(c1OC)O MB07580 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.87 CC(C)c1cccc(c1SC)O MB32342 [0,2,0,0,0,0|0,1,0]=3 959 B12R1.87 CC(C)c1ccnc(c1C=O)N AB76611 [0,2,0,0,0,0|1,0,1]=4 960 B12R1.87 CCc1c(cccc1O)C(C)C MB23571 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.87 CCc1c(cccc1O)N(C)C MB23589 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.87 CN(C)c1cccc(c1C#N)O MB24941 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.87 CN(C)c1cccc(c1C=O)O MB24956 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.87 CN(C)c1cccc(c1CN)O MB35363 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.87 CN(C)c1cccc(c1OC)O MB35089 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.87 CNc1c(cccc1O)N(C)C MB27511 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.261 B(c1ccccc1C(=O)C)(O)O AB09053 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.261 B(c1ccccc1C(C)C)(O)O AB14291 [0,2,0,0,0,0|0,0,0]=2 969 B12R1.261 B(c1ccccc1N(C)C)(O)O AB08809 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.261 B(c1ccccc1N(C)C)(O)O AB30922 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.261 B(c1ccccc1S(=O)C)(O)O AB13630 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.261 B(c1cccnc1N(C)C)(O)O AB67492 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.261 B(c1cncnc1C(C)C)(O)O MB05965 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.437 CC(C)c1c(cccc1O)C#N MB22302 [0,2,0,0,0,0|0,0,0]=2 975 B12R1.437 CC(C)c1c(cccc1O)C=O MB22317 [0,2,0,0,0,0|0,0,0]=2 976 B12R1.437 CC(C)c1c(cccc1O)CN MB26454 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.437 CC(C)c1c(cccc1O)NC MB36253 [0,2,0,0,0,0|0,0,0]=2 978 B12R1.437 CC(C)c1c(cccc1OC)O MB31009 [0,2,0,0,0,0|0,0,0]=2 979 B12R1.437 CC(C)c1c(cccc1SC)O MB26199 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.437 CCc1cccc(c1C(C)C)O MB24041 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.437 CCc1cccc(c1N(C)C)O MB24061 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.437 CN(C)c1c(cccc1O)C#N MB29747 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.437 CN(C)c1c(cccc1O)C=O MB33964 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.437 CN(C)c1c(cccc1O)CN MB28790 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.437 CN(C)c1c(cccc1OC)O MB27761 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.437 CN(C)c1c(cccc1SC)O MB27708 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.437 CNc1cccc(c1N(C)C)O MB29049 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.126 CC(C)(C)c1ccc(cc1Br)O MB21813 [0,2,0,0,0,0|1,0,0]=3 989 B12R1.126 CC(C)(C)c1ccc(cc1Cl)O MB21815 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.126 CC(C)(C)c1ccc(cc1F)O MB21800 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.126 CC(C)(C)c1ccc(cc1I)O MB21801 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.126 CC(C)(C)c1ccc(cc1N)O MB21802 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.126 CC(C)(C)c1ccc(cc1O)Br MB09250 [0,2,0,0,0,0|0,0,0]=2 994 B12R1.126 CC(C)(C)c1ccc(cc1O)Cl MB21821 [0,2,0,0,0,0|0,0,0]=2 995 B12R1.126 CC(C)(C)c1ccc(cc1O)F MB21768 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.126 CC(C)(C)c1ccc(cc1O)I MB21772 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.126 CC(C)(C)c1ccc(cc1O)N MB21780 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.126 Cc1cc(ccc1C(C)(C)C)O MB23393 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.126 Cc1ccc(c(c1)O)C(F)(F)F MB23404 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.126 c1cc(c(cc1Br)O)C(F)(F)F MB05099 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.126 c1cc(c(cc1Cl)O)C(F)(F)F MB09933 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.126 c1cc(c(cc1I)O)C(F)(F)F MB34436 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.128 CC(C)(C)c1cc(ccc1Br)O MB14750 [0,2,0,0,0,0|1,0,0]=3 1004 B12R1.128 CC(C)(C)c1cc(ccc1Cl)O MB21750 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.128 CC(C)(C)c1cc(ccc1F)O MB21745 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.128 CC(C)(C)c1cc(ccc1I)O MB14753 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.128 CC(C)(C)c1cc(ccc1N)O MB07925 [0,2,0,0,0,0|1,0,0]=3 1008 B12R1.128 CC(C)(C)c1cc(ccc1O)Br MB00881 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.128 CC(C)(C)c1cc(ccc1O)Cl MB14957 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.128 CC(C)(C)c1cc(ccc1O)F MB14954 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.128 CC(C)(C)c1cc(ccc1O)I MB21704 [0,2,0,0,0,0|0,0,0]=2 1012 B12R1.128 CC(C)(C)c1cc(ccc1O)N MB21709 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.128 Cc1ccc(c(c1)C(F)(F)F)O MB23430 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.128 Cc1ccc(cc1C(C)(C)C)O MB23454 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.128 c1cc(c(cc1Cl)C(F)(F)F)O MB00505 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.128 c1cc(c(cc1I)C(F)(F)F)O MB14861 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.128 c1cc(c(cc1N)C(F)(F)F)O MB02120 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.228 CC(C)(C)c1cccc(c1Br)O MB21854 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.228 CC(C)(C)c1cccc(c1Cl)O MB21857 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.228 CC(C)(C)c1cccc(c1F)O MB21845 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.228 CC(C)(C)c1cccc(c1I)O MB21848 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.228 CC(C)(C)c1cccc(c1N)O MB21849 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.228 CC(C)(C)c1cccc(c1O)Br MB21859 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.228 CC(C)(C)c1cccc(c1O)Cl MB21863 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.228 CC(C)(C)c1cccc(c1O)F PB18187 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.228 CC(C)(C)c1cccc(c1O)I MB21830 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.228 CC(C)(C)c1cccc(c1O)N MB21833 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.228 Cc1c(cccc1O)C(C)(C)C MB23341 [0,2,0,0,0,0|1,0,0]=3 1029 B12R1.228 Cc1cccc(c1O)C(F)(F)F MB23468 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.228 c1cc(c(c(c1)Br)O)C(F)(F)F MB13480 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.228 c1cc(c(c(c1)Cl)O)C(F)(F)F MB01403 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.228 c1cc(c(c(c1)I)O)C(F)(F)F MB25561 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.1010 CC(C)(C)c1c(cccc1Br)O MB21684 [0,2,0,0,0,0|0,0,0]=2 1034 B12R1.1010 CC(C)(C)c1c(cccc1Cl)O MB21687 [0,2,0,0,0,0|0,0,0]=2 1035 B12R1.1010 CC(C)(C)c1c(cccc1F)O MB21672 [0,2,0,0,0,0|0,0,0]=2 1036 B12R1.1010 CC(C)(C)c1c(cccc1I)O MB21674 [0,2,0,0,0,0|0,0,0]=2 1037 B12R1.1010 CC(C)(C)c1c(cccc1O)N MB21666 [0,2,0,0,0,0|0,0,0]=2 1038 B12R1.1010 CC(C)(c1c(cccc1Cl)Cl)N AB65057 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.1010 Cc1cccc(c1C(C)(C)C)O MB23479 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.1010 Cc1cccc(c1C(F)(F)F)O MB23482 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.1010 c1cc(c(c(c1)Br)C(F)(F)F)O MB13478 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.1010 c1cc(c(c(c1)Cl)C(F)(F)F)O MB25586 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.1010 c1cc(c(c(c1)I)C(F)(F)F)O MB34816 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.1010 c1cc(c(c(c1)O)C(F)(F)F)N MB25681 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [0,2,0,0,0,0|1,0,1]=4 1046 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [0,2,0,0,0,0|1,0,1]=4 1049 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [0,2,0,0,0,0|1,0,1]=4 1052 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [0,2,0,0,0,0|1,0,1]=4 1053 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [0,2,0,0,0,0|1,0,1]=4 1054 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [0,2,0,0,0,0|1,0,1]=4 1055 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [0,2,0,0,0,0|1,0,1]=4 1056 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [0,2,0,0,0,0|1,0,1]=4 1058 B12R1.440 CC(C)c1cccc(c1O)C#N MB22603 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.440 CC(C)c1cccc(c1O)C=O MB09057 [0,2,0,0,0,0|0,0,0]=2 1060 B12R1.440 CC(C)c1cccc(c1O)CN MB29361 [0,2,0,0,0,0|0,0,0]=2 1061 B12R1.440 CC(C)c1cccc(c1O)OC MB14725 [0,2,0,0,0,0|0,0,0]=2 1062 B12R1.440 CCc1cccc(c1O)C(C)C MB01991 [0,2,0,0,0,0|0,0,0]=2 1063 B12R1.440 CCc1cccc(c1O)N(C)C MB24019 [0,2,0,0,0,0|1,0,0]=3 1064 B12R1.440 CN(C)c1cccc(c1O)C#N MB35412 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.440 CN(C)c1cccc(c1O)C=O MB27297 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.440 CN(C)c1cccc(c1O)CN MB33151 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.440 CN(C)c1cccc(c1O)OC MB34320 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.440 CNc1cccc(c1O)N(C)C MB27155 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,2,0,0,0,0|1,0,1]=4 1070 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,2,0,0,0,0|1,0,1]=4 1071 B12R1.232 CC(C)c1cc(c(cc1O)O)Br MB19823 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.452 CC(C)c1ccc(cc1F)OC PB12327 [0,2,0,0,0,0|1,0,0]=3 1073 B12R1.452 CC(C)c1ccc(cc1O)C#N MB22460 [0,2,0,0,0,0|0,0,0]=2 1074 B12R1.452 CC(C)c1ccc(cc1O)C=O MB22475 [0,2,0,0,0,0|0,0,0]=2 1075 B12R1.452 CC(C)c1ccc(cc1O)CN MB36998 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.452 CC(C)c1ccc(cc1O)NC MB35415 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.452 CC(C)c1ccc(cc1O)OC MB37919 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.452 CC(C)c1ccc(cc1O)SC MB37763 [0,2,0,0,0,0|0,0,0]=2 1079 B12R1.452 CCc1ccc(c(c1)O)C(C)C MB23788 [0,2,0,0,0,0|0,0,0]=2 1080 B12R1.452 CCc1ccc(c(c1)O)N(C)C MB23848 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.452 CN(C)c1ccc(cc1O)C#N MB29438 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.452 CN(C)c1ccc(cc1O)C=O MB35354 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.452 CN(C)c1ccc(cc1O)CN MB38570 [0,2,0,0,0,0|1,0,0]=3 1084 B12R1.452 CN(C)c1ccc(cc1O)OC MB27728 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.452 CN(C)c1ccc(cc1O)SC MB28789 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.452 CNc1ccc(c(c1)O)N(C)C MB30484 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.452 Cc1cc(ccc1N(C)C)C=O CB10492 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,2,0,0,0,0|1,0,1]=4 1089 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,2,0,0,0,0|1,0,1]=4 1090 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,2,0,0,0,0|1,0,1]=4 1091 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,2,0,0,0,0|1,0,1]=4 1093 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,2,0,0,0,0|1,0,1]=4 1094 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,2,0,0,0,0|1,0,1]=4 1095 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,2,0,0,0,0|1,0,1]=4 1096 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,2,0,0,0,0|1,0,1]=4 1097 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,2,0,0,0,0|1,0,1]=4 1098 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,2,0,0,0,0|1,0,1]=4 1099 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,2,0,0,0,0|1,0,1]=4 1100 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,2,0,0,0,0|1,0,1]=4 1101 B12R1.453 CC(C)c1cc(ccc1O)C#N MB22341 [0,2,0,0,0,0|0,0,0]=2 1102 B12R1.453 CC(C)c1cc(ccc1O)C=O MB22345 [0,2,0,0,0,0|0,0,0]=2 1103 B12R1.453 CC(C)c1cc(ccc1O)CN MB37830 [0,2,0,0,0,0|0,0,0]=2 1104 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [0,2,0,0,0,0|0,0,0]=2 1105 B12R1.453 CCc1ccc(c(c1)C(C)C)O MB01995 [0,2,0,0,0,0|0,0,0]=2 1106 B12R1.453 CCc1ccc(c(c1)N(C)C)O MB23877 [0,2,0,0,0,0|1,0,0]=3 1107 B12R1.453 CN(C)c1cc(ccc1O)C#N MB32754 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.453 CN(C)c1cc(ccc1O)C=O MB33544 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.453 CN(C)c1cc(ccc1O)CN MB32176 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.453 CN(C)c1cc(ccc1O)SC MB27336 [0,2,0,0,0,0|1,0,0]=3 1112 B12R1.453 CNc1ccc(c(c1)N(C)C)O MB27180 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,2,0,0,0,0|2,0,0]=4 1114 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,1,1,0,0|2,0,0]=4 1115 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [1,0,0,1,0,0|2,0,0]=4 1116 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 1117 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 1118 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 1119 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,1|1,0,0]=3 1120 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,1|0,0,0]=2 1121 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,1|2,0,0]=4 1122 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,1|2,0,0]=4 1123 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,1|1,0,0]=3 1124 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,1|1,1,0]=4 1125 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,1|2,0,0]=4 1126 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,1|1,0,0]=3 1127 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,1|1,0,0]=3 1128 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,1|1,0,1]=4 1129 B12R2.95 CC1(Cc2ccccc2N1)C AB70011 [0,0,0,1,0,1|1,0,0]=3 1130 B12R2.202 CN1Cc2cccc(c2C1)N MB08489 [0,0,0,1,0,1|2,0,0]=4 1131 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,0,0,1,0,1|1,0,1]=4 1132 B12R2.202 c1cc2c(c(c1)Br)CC(C2)N AB69977 [0,0,0,1,0,1|2,0,0]=4 1133 B12R2.202 c1cc2c(c(c1)Cl)CC(C2)N AB69973 [0,0,0,1,0,1|2,0,0]=4 1134 B12R2.225 Cc1c(cccn1)OC2CC2 MB33626 [0,0,0,1,0,1|2,0,0]=4 1135 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,0,0,1,0,1|1,0,0]=3 1136 B12R2.225 Cc1ccncc1OC2CC2 MB48423 [0,0,0,1,0,1|2,0,0]=4 1137 B12R2.225 Cc1cnccc1OC2CC2 MB36199 [0,0,0,1,0,1|2,0,0]=4 1138 B12R2.225 Cn/1cccc\c1=N/C2CC2 MB69394 [0,0,0,1,0,1|2,0,0]=4 1139 B12R2.225 c1cc(c(nc1)Br)OC2CC2 MB19988 [0,0,0,1,0,1|2,0,0]=4 1140 B12R2.225 c1cc(c(nc1)Cl)OC2CC2 MB19980 [0,0,0,1,0,1|2,0,0]=4 1141 B12R2.225 c1cc(c(nc1)F)OC2CC2 MB36392 [0,0,0,1,0,1|2,0,0]=4 1142 B12R2.225 c1cc(c(nc1)I)OC2CC2 MB26956 [0,0,0,1,0,1|2,0,0]=4 1143 B12R2.225 c1cc(c(nc1)N)OC2CC2 MB48639 [0,0,0,1,0,1|2,0,0]=4 1144 B12R2.225 c1cc(c(nc1)OC2CC2)Br MB19973 [0,0,0,1,0,1|2,0,0]=4 1145 B12R2.225 c1cc(c(nc1)OC2CC2)Cl MB19962 [0,0,0,1,0,1|2,0,0]=4 1146 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,0,0,1,0,1|1,0,0]=3 1147 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,0,0,1,0,1|0,0,0]=2 1148 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,0,0,1,0,1|1,0,0]=3 1149 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,0,0,1,0,1|1,0,0]=3 1150 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,0,0,1,0,1|1,0,0]=3 1151 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,0,0,1,0,1|1,0,0]=3 1152 B12R2.225 c1cncc(c1Br)OC2CC2 MB34228 [0,0,0,1,0,1|2,0,0]=4 1153 B12R2.225 c1cncc(c1Cl)OC2CC2 MB29114 [0,0,0,1,0,1|2,0,0]=4 1154 B12R2.225 c1cncc(c1F)OC2CC2 MB36152 [0,0,0,1,0,1|2,0,0]=4 1155 B12R2.225 c1cncc(c1I)OC2CC2 MB47997 [0,0,0,1,0,1|2,0,0]=4 1156 B12R2.225 c1cncc(c1N)OC2CC2 MB33178 [0,0,0,1,0,1|2,0,0]=4 1157 B12R2.225 c1cncc(c1OC2CC2)Br MB20003 [0,0,0,1,0,1|2,0,0]=4 1158 B12R2.225 c1cncc(c1OC2CC2)Cl MB19997 [0,0,0,1,0,1|2,0,0]=4 1159 B12R2.225 c1cncc(c1OC2CC2)F MB33780 [0,0,0,1,0,1|2,0,0]=4 1160 B12R2.225 c1cncc(c1OC2CC2)I MB32942 [0,0,0,1,0,1|2,0,0]=4 1161 B12R2.225 c1cncc(c1OC2CC2)N MB38861 [0,0,0,1,0,1|2,0,0]=4 1162 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|1,0,0]=3 1163 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|1,0,1]=4 1165 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|1,0,1]=4 1170 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|1,0,0]=3 1171 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|1,0,0]=3 1172 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|1,0,0]=3 1173 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|1,0,0]=3 1174 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|1,0,1]=4 1175 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,1,0,0|1,0,0]=3 1177 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,1,0,0|1,0,0]=3 1178 B12R2.88 Cc1c(cccn1)C2(CC2)N AB66896 [0,1,0,1,0,0|2,0,0]=4 1179 B12R2.88 Cc1ccccc1C2(CC2)N AB39542 [0,1,0,1,0,0|1,0,0]=3 1180 B12R2.88 Cc1ccncc1C2(CC2)N AB67830 [0,1,0,1,0,0|2,0,0]=4 1181 B12R2.88 c1cc(c(nc1)Br)C2(CC2)N AB67280 [0,1,0,1,0,0|2,0,0]=4 1182 B12R2.88 c1cc(c(nc1)Cl)C2(CC2)N AB67320 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br AB39532 [0,1,0,1,0,0|1,0,0]=3 1184 B12R2.88 c1ccc(c(c1)C2(CC2)N)Cl AB39536 [0,1,0,1,0,0|1,0,0]=3 1185 B12R2.88 c1ccc(c(c1)C2(CC2)N)F AB39534 [0,1,0,1,0,0|1,0,0]=3 1186 B12R2.88 c1cncc(c1Cl)C2(CC2)N AB67986 [0,1,0,1,0,0|2,0,0]=4 1187 B12R2.88 c1cncc(c1F)C2(CC2)N AB68063 [0,1,0,1,0,0|2,0,0]=4 1188 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|1,0,1]=4 1189 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|2,0,0]=4 1191 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|2,0,0]=4 1193 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|2,0,0]=4 1199 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,1,0,0|1,0,1]=4 1202 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|2,0,0]=4 1203 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,1,0,0|2,0,0]=4 1206 B12R2.612 c1cc(nc2c1C(CO2)N)Cl AB70110 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,1,0,0|2,0,0]=4 1208 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,1,0,0|2,0,0]=4 1209 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,1,0,0|2,0,0]=4 1210 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,1,0,1,0,0|1,0,1]=4 1212 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|1,0,0]=3 1213 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,1,0,0|2,0,0]=4 1215 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,1,0,0|1,0,1]=4 1217 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|1,0,0]=3 1218 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,1,0,0|2,0,0]=4 1221 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,1,0,1,0,0|1,0,1]=4 1222 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|1,0,0]=3 1223 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.1317 c1cn(c(=O)cc1Br)C2CC2 MB19872 [0,1,0,1,0,0|1,0,1]=4 1225 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|1,0,1]=4 1226 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|2,0,0]=4 1227 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,1,0,0|1,0,1]=4 1228 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,1,0,0|2,0,0]=4 1230 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,1,0,0|2,0,0]=4 1231 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|0,0,2]=4 1232 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,1,0,0|2,0,0]=4 1233 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|1,0,0]=3 1234 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,1,0,0|2,0,0]=4 1235 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|1,0,1]=4 1237 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,1,0,0|2,0,0]=4 1238 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|1,0,0]=3 1239 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|1,0,0]=3 1243 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,1,0,0|2,0,0]=4 1244 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,1,0,0|2,0,0]=4 1245 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,1,0,0|2,0,0]=4 1246 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.1316 c1cc(=O)n(cc1Br)C2CC2 MB19871 [0,1,0,1,0,0|1,0,1]=4 1248 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,1,0,0|1,0,0]=3 1249 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,1,0,0|1,0,0]=3 1251 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|0,0,0]=2 1252 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,1,0,0|1,0,1]=4 1253 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|1,0,0]=3 1254 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|2,0,0]=4 1255 B8R1.7 CC(c1ccoc1)N AB27902 [1,0,0,0,1,0|2,0,0]=4 1256 B8R1.7 CC(c1ccoc1)N AB66830 [1,0,0,0,1,0|2,0,0]=4 1257 B12R1.125 CC(C)COc1c(cccn1)Br AB68532 [0,0,0,0,0,2|2,0,0]=4