0 B8R1.7 B(c1cccs1)(O)O AS06041 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 CC(C)c1cnc[nH]1 AS07134 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 c1nc([nH]n1)C(=O)O AS00569 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 c1cc([nH]c1)C=O AS06197 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.11 COC(=O)c1c[nH]nc1 AS07234 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [0,0,0,0,0,1|2,0,1]=4 6 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [0,0,0,0,0,1|2,0,0]=3 7 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,0,0,0,0,1|2,0,0]=3 8 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [0,0,0,0,0,1|2,0,0]=3 9 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [0,0,0,0,0,1|3,0,0]=4 10 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [0,0,0,0,0,1|2,0,1]=4 11 B8R1.8 c1cc(sc1)C=NO AS06778 [1,1,0,0,0,0|1,0,1]=4 12 B8R1.11 c1csc(c1C=O)Br AS06533 [1,1,0,0,0,0|2,0,0]=4 13 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [0,1,0,0,0,1|2,0,0]=4 14 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [0,1,0,0,0,1|1,0,0]=3 15 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [0,1,0,0,0,1|1,0,0]=3 16 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [0,1,0,0,0,1|1,0,0]=3 17 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [0,1,0,0,0,1|1,0,0]=3 18 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [0,1,0,0,0,1|1,0,0]=3 19 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [0,1,0,0,0,1|1,0,0]=3 20 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,1,0,0,0,1|0,0,1]=3 21 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,1,0,0,0,1|0,0,1]=3 22 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [0,1,0,0,0,1|1,0,0]=3 23 B10R1.13 Cc1ccc(cc1)C(=O)Cl AS00020 [0,1,0,0,0,1|2,0,0]=4 24 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [0,1,0,0,0,1|2,0,0]=4 25 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [0,1,0,0,0,1|2,0,0]=4 26 B10R1.13 c1cc(ccc1C(=O)Cl)I AS00009 [0,1,0,0,0,1|2,0,0]=4 27 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [0,1,0,0,0,1|2,0,0]=4 28 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.13 c1cc(ccc1C(=O)[O-])F AS00778 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.13 c1cc(ncc1C(=O)O)F AS04828 [0,1,0,0,0,1|1,0,1]=4 37 B10R1.13 c1cc(ncc1Cl)C(=O)O AS04938 [0,1,0,0,0,1|1,0,1]=4 38 B10R1.13 c1cc(ncc1F)C(=O)O AS04870 [0,1,0,0,0,1|1,0,1]=4 39 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [0,1,0,0,0,1|1,0,1]=4 40 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,1,0,0,0,1|1,0,0]=3 41 B10R1.15 c1ccc(cc1)C(=O)C#N AS04664 [0,1,0,0,0,1|1,0,1]=4 42 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [0,1,0,0,0,1|1,0,0]=3 44 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.61 CC(=O)c1c(cccn1)F AS04769 [0,1,0,0,0,1|0,0,1]=3 46 B10R1.61 CC(=O)c1ccccc1Br AS01164 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.61 CC(=O)c1ccccc1Cl AS01142 [0,1,0,0,0,1|1,0,0]=3 48 B10R1.61 CC(=O)c1ccccc1F AS01129 [0,1,0,0,0,1|1,0,0]=3 49 B10R1.61 CC(=O)c1ccccc1I AS03911 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.61 CC(=O)c1ccccc1O AS01159 [0,1,0,0,0,1|1,0,0]=3 51 B10R1.61 c1cc(c(nc1)F)C(=O)O AS04848 [0,1,0,0,0,1|1,0,1]=4 52 B10R1.61 c1ccc(c(c1)C(=O)Cl)I AS00019 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.61 c1ccc(c(c1)C(=O)N)Br AS00918 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.61 c1ccc(c(c1)C(=O)N)Cl AS02678 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.61 c1ccc(c(c1)C(=O)N)F AS00829 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.61 c1ccc(c(c1)C(=O)N)I AS02212 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.61 c1ccc(c(c1)C(=O)O)Br AS00760 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.61 c1ccc(c(c1)C(=O)O)Cl AS00802 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.61 c1ccc(c(c1)C(=O)O)F AS00814 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.61 c1ccc(c(c1)C(=O)O)I AS02216 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.61 c1ccc(c(c1)C(=O)[O-])F AS00773 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.113 CC(=O)c1cccc(c1)Br AS01168 [0,1,0,0,0,1|1,0,0]=3 63 B10R1.113 CC(=O)c1cccc(c1)Cl AS03831 [0,1,0,0,0,1|1,0,0]=3 64 B10R1.113 CC(=O)c1cccc(c1)F AS01151 [0,1,0,0,0,1|1,0,0]=3 65 B10R1.113 CC(=O)c1cccc(c1)I AS04040 [0,1,0,0,0,1|1,0,0]=3 66 B10R1.113 CC(=O)c1cccc(c1)O AS01139 [0,1,0,0,0,1|1,0,0]=3 67 B10R1.113 Cc1cccc(c1)C(=O)C AS04042 [0,1,0,0,0,1|1,0,0]=3 68 B10R1.113 Cc1cccc(c1)C(=O)Cl AS01364 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.113 Cc1cccc(c1)C(=O)O AS00863 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.113 c1c(cncc1F)C(=O)O AS04871 [0,1,0,0,0,1|1,0,1]=4 71 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl AS00012 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.113 c1cc(cc(c1)Br)C(=O)N AS00919 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.113 c1cc(cc(c1)Br)C(=O)O AS01127 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl AS00014 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.113 c1cc(cc(c1)Cl)C(=O)N AS02679 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.113 c1cc(cc(c1)Cl)C(=O)O AS00810 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.113 c1cc(cc(c1)F)C(=O)N AS00830 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.113 c1cc(cc(c1)F)C(=O)O AS00742 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.113 c1cc(cc(c1)F)C(=O)O AS01279 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] AS00777 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.113 c1cc(cc(c1)I)C(=O)Cl AS00024 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.113 c1cc(cc(c1)I)C(=O)N AS02213 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.113 c1cc(cc(c1)I)C(=O)O AS02217 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.113 c1cc(cc(c1)N)C(=O)N AS05882 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.113 c1cc(cc(c1)N)C(=O)O AS00862 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AS04933 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.113 c1cc(nc(c1)F)C(=O)O AS04829 [0,1,0,0,0,1|1,0,1]=4 88 B10R1.113 c1cnc(cc1C(=O)O)F AS04827 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.14 COC(=O)c1cc(sc1)Br AS06561 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.4 Cc1cccc(c1)Br AS03472 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.4 Cc1cccc(c1)Cl AS02842 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.4 Cc1cccc(c1)F AS06924 [0,0,1,1,0,0|2,0,0]=4 93 B8R1.4 Cc1cccc(c1)I AS02293 [0,0,1,1,0,0|2,0,0]=4 94 B8R1.4 Cc1cccc(c1)N AS06930 [0,0,1,1,0,0|1,0,0]=3 95 B8R1.4 Cc1cccc(c1)S AS00077 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.4 Cc1cccc(n1)Br AS04907 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.4 Cc1cccc(n1)C AS04947 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.4 Cc1cccc(n1)F AS04851 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.4 c1cc(cc(c1)Br)N AS00407 [0,0,1,1,0,0|1,0,1]=4 100 B8R1.4 c1cc(cc(c1)Cl)N AS04638 [0,0,1,1,0,0|1,0,1]=4 101 B8R1.4 c1cc(cc(c1)F)N AS00826 [0,0,1,1,0,0|1,0,1]=4 102 B8R1.4 c1cc(cc(c1)F)N AS06739 [0,0,1,1,0,0|1,0,1]=4 103 B8R1.4 c1cc(cc(c1)I)N AS00421 [0,0,1,1,0,0|1,0,1]=4 104 B8R1.4 c1cc(cc(c1)N)N AS06865 [0,0,1,1,0,0|1,0,1]=4 105 B8R1.4 c1cc(cc(c1)O)N AS00213 [0,0,1,1,0,0|0,0,2]=4 106 B8R1.5 Cc1c(cccn1)Br AS04917 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.5 Cc1c(cccn1)N AS04896 [0,0,1,1,0,0|1,0,0]=3 108 B8R1.5 Cc1ccccc1Br AS03471 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.5 Cc1ccccc1F AS00300 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.5 Cc1ccccc1I AS02292 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.5 Cc1ccccc1N AS01510 [0,0,1,1,0,0|1,0,0]=3 112 B8R1.5 Cc1ccccc1O AS00217 [0,0,1,1,0,0|2,0,0]=4 113 B8R1.5 c1cc(c(nc1)Br)N AS04696 [0,0,1,1,0,0|2,0,0]=4 114 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [0,0,1,1,0,0|2,0,0]=4 115 B8R1.5 c1cc(c(nc1)F)N AS04774 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.5 c1ccc(c(c1)N)Br AS00913 [0,0,1,1,0,0|1,0,1]=4 117 B8R1.5 c1ccc(c(c1)N)F AS00827 [0,0,1,1,0,0|1,0,1]=4 118 B8R1.5 c1ccc(c(c1)N)F AS01506 [0,0,1,1,0,0|1,0,1]=4 119 B8R1.5 c1ccc(c(c1)N)I AS00404 [0,0,1,1,0,0|1,0,1]=4 120 B8R1.5 c1ccc(c(c1)N)O AS00211 [0,0,1,1,0,0|0,0,2]=4 121 B8R1.2 COc1ccccc1 AS04310 [1,0,0,0,0,1|2,0,0]=4 122 B8R1.2 COc1ccccc1 AS06877 [1,0,0,0,0,1|2,0,0]=4 123 B8R1.2 COc1ccccn1 AS01009 [1,0,0,0,0,1|1,0,1]=4 124 B8R1.2 COc1cccnc1 AS01010 [1,0,0,0,0,1|1,0,1]=4 125 B8R1.2 COc1ccncc1 AS04953 [1,0,0,0,0,1|2,0,0]=4 126 B8R1.2 CSc1ccccc1 AS04279 [1,0,0,0,0,1|2,0,0]=4 127 B8R1.2 c1ccc(cc1)N=O AS01444 [1,0,0,0,0,1|2,0,0]=4 128 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [0,0,0,0,0,2|2,0,0]=4