0 B11R2.1 CC1=CCc2c1cccc2 BC600789 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 c1cc2c(c[nH]c2nc1)Br BC683973 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 c1ccc2c(c1)C=CC2=O BC264695 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 BC210059 [0,0,0,0,0,0|0,1,2]=3 9 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br BC220142 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.1 c1ccc2c(c1)c(c[nH]2)Cl BC678897 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br BC203656 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.1 c1ccc2c(c1)c(n[nH]2)I BC205463 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.1 c1ccc2c(c1)c(ns2)Cl BC207416 [0,0,0,0,0,0|1,1,0]=2 15 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [0,0,0,0,0,0|1,1,0]=2 16 B11R2.1 c1ccc2c(c1)nnn2O BC204387 [0,0,0,0,0,0|2,0,0]=2 17 B11R2.1 c1ccc2c(c1)nnn2O BC675286 [0,0,0,0,0,0|2,0,0]=2 18 B11R2.1 c1ccn2c(c1)c(cn2)Br BC280819 [0,0,0,0,0,0|4,0,0]=4 19 B10R2.7 c1c[nH]c2c1ccnc2 BC213329 [1,0,0,0,0,0|3,0,0]=4 20 B10R2.7 c1c[nH]c2c1cncc2 BC208309 [1,0,0,0,0,0|3,0,0]=4 21 B10R2.7 c1cc2c(cc[nH]2)nc1 BC213328 [1,0,0,0,0,0|3,0,0]=4 22 B10R2.7 c1cc2cc[nH]c2nc1 BC213330 [1,0,0,0,0,0|3,0,0]=4 23 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [1,0,0,0,0,0|2,0,0]=3 24 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [1,0,0,0,0,0|2,0,1]=4 25 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [1,0,0,0,0,0|1,0,1]=3 26 B10R2.7 c1ccc2c(c1)CNC2 BC217544 [1,0,0,0,0,0|1,0,2]=4 27 B10R2.7 c1ccc2c(c1)CNC2 BC682033 [1,0,0,0,0,0|1,0,2]=4 28 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [1,0,0,0,0,0|2,0,0]=3 29 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [1,0,0,0,0,0|1,0,0]=2 30 B10R2.7 c1ccc2c(c1)nco2 BC200554 [1,0,0,0,0,0|2,0,0]=3 31 B10R2.7 c1ccn2ccnc2c1 BC228042 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O BC220141 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO BC226969 [0,1,0,0,0,0|2,0,0]=3 34 B12R2.1 c1ccc2c(c1)c(cs2)C=O BC220800 [0,1,0,0,0,0|1,1,1]=4 35 B12R2.1 c1ccc2c(c1)c(cs2)CN BC682052 [0,1,0,0,0,0|2,1,0]=4 36 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O BC205422 [0,1,0,0,0,0|1,0,1]=3 37 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 BC679623 [0,1,0,0,0,0|2,0,1]=4 38 B12R2.18 c1ccc2c(c1)CC(C2=O)Br BC218981 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.18 c1ccc2c(c1)CC(C2O)Br BC676562 [0,1,0,0,0,0|2,0,1]=4 40 B12R2.132 Cc1c2cc(ccc2[nH]n1)O BC649960 [0,1,0,0,0,0|2,0,0]=3 41 B12R2.132 Cc1c[nH]c2c1cc(cc2)F BC220635 [0,1,0,0,0,0|3,0,0]=4 42 B12R2.132 Cn1c2cc(ccc2nn1)Br BC682159 [0,1,0,0,0,0|3,0,0]=4 43 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 BC219907 [0,1,0,0,0,0|2,0,1]=4 44 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)N BC675748 [0,1,0,0,0,0|3,0,0]=4 45 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N BC210277 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.132 c1cc2c(cc1F)C(=O)CC2 BC218979 [0,1,0,0,0,0|2,0,1]=4 47 B12R2.132 c1cc2c(cc1O)C(=O)CC2 BC218980 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.132 c1cc2c(cc1S)C(=O)NC2 BC655032 [0,1,0,0,0,0|1,0,2]=4 49 B12R2.196 Cc1c2cccc(c2[nH]n1)O BC649961 [0,1,0,0,0,0|2,0,0]=3 50 B12R2.196 c1cc2c(c(c1)Br)CCC2=O BC677084 [0,1,0,0,0,0|2,0,1]=4 51 B12R2.196 c1cc2c(c(c1)Br)CNC2=O BC682229 [0,1,0,0,0,0|1,0,2]=4 52 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O BC676446 [0,1,0,0,0,0|2,0,1]=4 53 B12R2.196 c1cc2c(c(c1)O)CCC2=O BC687631 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.203 Cc1cccc2c1C(=O)CC2 BC688379 [0,1,0,0,0,0|2,0,1]=4 55 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 BC652362 [0,1,0,0,0,0|2,0,1]=4 56 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 BC677426 [0,1,0,0,0,0|2,0,1]=4 57 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N BC280504 [0,1,0,0,0,0|2,0,0]=3 58 B12R2.203 c1cc2c(c(c1)I)c(n[nH]2)N BC655431 [0,1,0,0,0,0|2,0,0]=3 59 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 BC687634 [0,1,0,0,0,0|2,0,1]=4 60 B12R2.612 Cc1ccc2c(c1)CCC2=O BC218986 [0,1,0,0,0,0|2,0,1]=4 61 B12R2.612 Cn1c2ccc(cc2cn1)N BC674825 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.612 c1cc2c(cc1Br)CCC2=O BC210245 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [0,1,0,0,0,0|1,0,1]=3 64 B12R2.612 c1cc2c(cc1Cl)CCC2=O BC200429 [0,1,0,0,0,0|2,0,1]=4 65 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [0,1,0,0,0,0|1,0,1]=3 66 B12R2.612 c1cc2c(cc1Cl)[nH]nc2Br BC682147 [0,1,0,0,0,0|2,0,0]=3 67 B12R2.612 c1cc2c(cc1F)CCC2=O BC202173 [0,1,0,0,0,0|2,0,1]=4 68 B12R2.612 c1cc2c(cc1N)CCC2=O BC219807 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.612 c1cc2c(cc1O)CCC2=O BC200684 [0,1,0,0,0,0|2,0,1]=4 70 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O BC226331 [0,1,0,0,0,0|1,0,2]=4 71 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O BC225493 [0,1,0,0,0,0|1,0,2]=4 72 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br BC220361 [0,1,0,0,0,0|2,0,1]=4 73 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl BC222347 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,0,1,0,0,0|2,0,1]=4 75 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [0,0,1,0,0,0|2,0,1]=4 76 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,0,1,0,0,0|2,0,1]=4 77 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,0,1,0,0,0|2,0,1]=4 78 B10R1.17 c1ccc(cc1)C#CCO BC222107 [0,0,1,0,0,0|2,0,1]=4 79 B10R1.17 c1ccc(cc1)OCCBr BC209483 [0,0,1,0,0,0|2,0,1]=4 80 B10R1.17 c1ccc(cc1)OCCO BC208517 [0,0,1,0,0,0|1,0,1]=3 81 B10R1.20 COc1ccccc1CCl BC250917 [0,0,1,0,0,0|2,0,1]=4 82 B10R1.20 COc1cccnc1C=O BC208209 [0,0,1,0,0,0|2,0,1]=4 83 B10R1.61 B(c1ccccc1C)(O)O BC210677 [0,0,1,0,0,0|3,0,0]=4 84 B10R1.61 CC(=O)c1ccccc1Br BC213650 [0,0,1,0,0,0|2,0,1]=4 85 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [0,0,1,0,0,0|2,0,1]=4 86 B10R1.61 CC(=O)c1ccccc1F BC227587 [0,0,1,0,0,0|2,0,1]=4 87 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [0,0,1,0,0,0|3,0,0]=4 88 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [0,0,1,0,0,0|2,0,1]=4 89 B10R1.61 Cc1ccccc1C(=O)O BC675262 [0,0,1,0,0,0|2,0,0]=3 90 B10R1.61 Cc1cccnc1C(=O)O BC207538 [0,0,1,0,0,0|3,0,0]=4 91 B10R1.61 Cc1cnccc1C(=O)O BC222643 [0,0,1,0,0,0|3,0,0]=4 92 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [0,0,1,0,0,0|3,0,0]=4 93 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [0,0,1,0,0,0|3,0,0]=4 94 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [0,0,1,0,0,0|3,0,0]=4 95 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [0,0,1,0,0,0|3,0,0]=4 96 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [0,0,1,0,0,0|2,0,0]=3 97 B10R1.61 c1cc(c(nc1)Cl)C(=O)O BC227088 [0,0,1,0,0,0|3,0,0]=4 98 B10R1.61 c1cc(c(nc1)F)C(=O)O BC214598 [0,0,1,0,0,0|3,0,0]=4 99 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [0,0,1,0,0,0|1,0,0]=2 100 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [0,0,1,0,0,0|1,0,0]=2 101 B10R1.61 c1cnc(c(n1)C(=O)O)O BC205347 [0,0,1,0,0,0|3,0,0]=4 102 B10R1.61 c1cncc(c1Br)C(=O)O BC226654 [0,0,1,0,0,0|3,0,0]=4 103 B10R1.61 c1cncc(c1C(=O)O)N BC208031 [0,0,1,0,0,0|3,0,0]=4 104 B10R1.61 c1cncc(c1F)C(=O)O BC677128 [0,0,1,0,0,0|3,0,0]=4 105 B10R1.61 c1cncc(c1N)C(=O)O BC208030 [0,0,1,0,0,0|3,0,0]=4 106 B10R1.61 c1cncc(c1O)C(=O)O BC222453 [0,0,1,0,0,0|2,0,0]=3 107 B12R3.12 c1ccc2c(c1)CC3C2O3 BC200720 [0,0,0,1,0,0|2,0,1]=4 108 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,0,0,0,1,0|1,0,1]=3 109 B12R2.24 Cc1cc2ccccc2cn1 BC225244 [0,0,0,0,0,1|2,0,0]=3 110 B12R2.24 Cc1ccc2ccccc2c1 BC208431 [0,0,0,0,0,1|3,0,0]=4 111 B12R2.24 c1cc(cc2c1ccnc2)O BC652998 [0,0,0,0,0,1|3,0,0]=4 112 B12R2.24 c1cc2ccc(cc2nc1)O BC224179 [0,0,0,0,0,1|3,0,0]=4 113 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 BC681993 [0,0,0,0,0,1|2,0,1]=4 114 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 BC211913 [0,0,0,0,0,1|2,0,1]=4 115 B12R2.24 c1ccc2c(c1)ccc(n2)N BC205864 [0,0,0,0,0,1|3,0,0]=4 116 B12R2.24 c1ccc2c(c1)ncc(n2)Br BC208014 [0,0,0,0,0,1|3,0,0]=4 117 B12R2.24 c1ccc2c(c1)ncc(n2)N BC682114 [0,0,0,0,0,1|3,0,0]=4 118 B12R2.24 c1ccc2cc(ccc2c1)Br BC228013 [0,0,0,0,0,1|3,0,0]=4 119 B12R2.24 c1ccc2cc(ccc2c1)Cl BC205581 [0,0,0,0,0,1|3,0,0]=4 120 B12R2.24 c1ccc2cc(ccc2c1)O BC676809 [0,0,0,0,0,1|2,0,0]=3 121 B12R2.24 c1ccc2cnc(cc2c1)Br BC679495 [0,0,0,0,0,1|2,0,0]=3 122 B12R2.1081 Cc1c2ccccc2ccn1 BC225242 [0,0,0,0,0,1|2,0,0]=3 123 B12R2.1081 c1cc2c(c(ccn2)O)nc1 BC678023 [0,0,0,0,0,1|3,0,0]=4 124 B12R2.1081 c1cc2c(cccn2)c(c1)O BC676970 [0,0,0,0,0,1|3,0,0]=4 125 B12R2.1081 c1cc2cccnc2c(c1)O BC207913 [0,0,0,0,0,1|3,0,0]=4 126 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 BC208640 [0,0,0,0,0,1|1,0,1]=3 127 B12R2.1081 c1ccc2c(c1)C(CCN2)O BC600011 [0,0,0,0,0,1|2,0,1]=4 128 B12R2.1081 c1ccc2c(c1)CCNC2=O BC213850 [0,0,0,0,0,1|1,0,2]=4 129 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl BC211343 [0,0,0,0,0,1|3,0,0]=4 130 B12R2.1081 c1ccc2c(c1)c(ccn2)N BC211344 [0,0,0,0,0,1|3,0,0]=4 131 B12R2.1081 c1ccc2c(c1)c(ccn2)O BC201034 [0,0,0,0,0,1|2,0,0]=3 132 B12R2.1081 c1ccc2c(c1)c(cnn2)N BC208429 [0,0,0,0,0,1|2,0,0]=3 133 B12R2.1081 c1ccc2c(c1)cccc2Br BC201275 [0,0,0,0,0,1|3,0,0]=4 134 B12R2.1081 c1ccc2c(c1)cccc2Cl BC643966 [0,0,0,0,0,1|3,0,0]=4 135 B12R2.1081 c1ccc2c(c1)cccc2N BC676845 [0,0,0,0,0,1|3,0,0]=4 136 B12R2.1081 c1ccc2c(c1)cccc2O BC219532 [0,0,0,0,0,1|2,0,0]=3 137 B12R2.1081 c1ccc2c(c1)ccnc2Br BC676850 [0,0,0,0,0,1|2,0,0]=3 138 B12R2.1081 c1ccc2c(c1)ccnc2Cl BC212515 [0,0,0,0,0,1|2,0,0]=3 139 B12R2.1081 c1ccc2c(c1)ccnc2O BC206114 [0,0,0,0,0,1|1,0,0]=2 140 B12R2.1081 c1ccc2c(c1)cncc2F BC227747 [0,0,0,0,0,1|2,0,0]=3 141 B12R2.1081 c1ccc2c(c1)cncc2N BC675984 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.6 B(c1ccccc1)(O)O BC207007 [1,0,1,0,0,0|1,0,0]=3 143 B9R1.6 B(c1ccccn1)(O)O BC210694 [1,0,1,0,0,0|2,0,0]=4 144 B9R1.6 B(c1cccnc1)(O)O BC210695 [1,0,1,0,0,0|2,0,0]=4 145 B9R1.6 B(c1ccncc1)(O)O BC208313 [1,0,1,0,0,0|2,0,0]=4 146 B9R1.6 CC(=O)c1ccccc1 BC206207 [1,0,1,0,0,0|1,0,1]=4 147 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [1,0,1,0,0,0|1,0,0]=3 148 B9R1.6 c1cnccc1C(=N)N BC223492 [1,0,1,0,0,0|2,0,0]=4 149 B9R1.8 c1ccc(cc1)CC=O BC250050 [1,0,1,0,0,0|1,0,1]=4 150 B9R1.8 c1ccc(cc1)CCO BC213746 [1,0,1,0,0,0|1,0,1]=4 151 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [1,0,1,0,0,0|1,0,1]=4 152 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [1,0,1,0,0,0|0,0,2]=4 153 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [1,0,1,0,0,0|1,0,1]=4 154 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [1,0,1,0,0,0|1,0,1]=4 155 B11R1.16 COCC(=O)c1ccccc1 BC644213 [0,1,1,0,0,0|1,0,1]=4 156 B11R1.16 c1ccc(cc1)C(=O)N=C=S BC685804 [0,1,1,0,0,0|0,1,1]=4 157 B11R1.36 C=C(c1ccccc1)C(=O)O BC653116 [0,1,1,0,0,0|2,0,0]=4 158 B11R1.36 c1ccc(cc1)C(=O)C(=O)O BC215722 [0,1,1,0,0,0|1,0,1]=4 159 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [0,1,1,0,0,0|1,0,1]=4 160 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [0,1,1,0,0,0|1,0,1]=4 161 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [0,1,1,0,0,0|1,0,1]=4 162 B11R1.28 c1ccc(cc1)COCC=O BC269066 [0,1,1,0,0,0|1,0,1]=4 163 B11R1.91 c1ccnc(c1)OCC(=O)O BC682036 [0,1,1,0,0,0|2,0,0]=4 164 B11R1.37 COc1cc(ccc1C=O)F BC227711 [0,1,1,0,0,0|1,0,1]=4 165 B11R1.37 COc1ccc(cc1CO)F BC679466 [0,1,1,0,0,0|1,0,1]=4 166 B11R1.37 Cc1ccc(c(c1)OC)C=O BC682025 [0,1,1,0,0,0|1,0,1]=4 167 B11R1.53 B(c1ccccc1OC)(O)O BC210656 [0,1,1,0,0,0|2,0,0]=4 168 B11R1.53 c1ccc(c(c1)C(=O)O)NN BC215554 [0,1,1,0,0,0|1,0,1]=4 169 B11R1.53 c1ccc(c(c1)CBr)C(=O)O BC207323 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.53 c1ccc(c(c1)CCl)C(=O)O BC211063 [0,1,1,0,0,0|2,0,0]=4 171 B11R1.265 COc1cccc(c1C=O)O BC219778 [0,1,1,0,0,0|1,0,1]=4 172 B11R1.156 Cc1cccc(c1C(=O)O)C BC227495 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.156 Cc1cccc(c1C(=O)O)F BC220222 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.156 Cc1cccc(c1C(=O)O)N BC203569 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F BC220215 [0,1,1,0,0,0|2,0,0]=4 176 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N BC651950 [0,1,1,0,0,0|2,0,0]=4 177 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N BC215415 [0,1,1,0,0,0|2,0,0]=4 178 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O BC208246 [0,1,1,0,0,0|1,0,0]=3 179 B11R1.159 CC(=O)c1cccc(c1O)N BC216503 [0,1,1,0,0,0|1,0,1]=4 180 B11R1.159 Cc1c(cccc1F)C(=O)O BC206740 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.159 Cc1c(cccc1O)C(=O)O BC201893 [0,1,1,0,0,0|2,0,0]=4 182 B11R1.159 Cc1cccc(c1Br)C(=O)O BC202429 [0,1,1,0,0,0|2,0,0]=4 183 B11R1.159 Cc1cccc(c1F)C(=O)O BC220220 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.159 Cc1cccc(c1N)C(=O)O BC210202 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O BC201159 [0,1,1,0,0,0|2,0,0]=4 186 B11R1.159 c1cc(c(c(c1)Cl)Br)C(=O)O BC666464 [0,1,1,0,0,0|2,0,0]=4 187 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O BC206796 [0,1,1,0,0,0|2,0,0]=4 188 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O BC220217 [0,1,1,0,0,0|2,0,0]=4 189 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O BC227455 [0,1,1,0,0,0|2,0,0]=4 190 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O BC227465 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O BC206752 [0,1,1,0,0,0|2,0,0]=4 192 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O BC676253 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O BC225268 [0,1,1,0,0,0|2,0,0]=4 194 B11R1.159 c1cc(n(c(=O)c1)O)C(=O)O BC281774 [0,1,1,0,0,0|2,0,0]=4 195 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,1,1,0,0,0|1,0,1]=4 196 B11R1.166 Cc1cc(c(cn1)C(=O)O)O BC216112 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [0,1,1,0,0,0|2,0,0]=4 198 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O BC676276 [0,1,1,0,0,0|2,0,0]=4 199 B11R1.166 Cc1ccc(c(c1)F)C(=O)O BC225677 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.166 Cc1ccc(c(c1)N)C(=O)O BC225271 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.166 Cc1ccc(c(c1)O)C(=O)N BC202384 [0,1,1,0,0,0|0,0,2]=4 202 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O BC676270 [0,1,1,0,0,0|2,0,0]=4 203 B11R1.166 c1cc(c(cc1Br)F)C(=O)O BC206179 [0,1,1,0,0,0|2,0,0]=4 204 B11R1.166 c1cc(c(cc1Br)N)C(=O)O BC227467 [0,1,1,0,0,0|2,0,0]=4 205 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O BC210276 [0,1,1,0,0,0|2,0,0]=4 206 B11R1.166 c1cc(c(cc1F)Br)C(=O)O BC206177 [0,1,1,0,0,0|2,0,0]=4 207 B11R1.166 c1cc(c(cc1F)N)C(=O)O BC204309 [0,1,1,0,0,0|2,0,0]=4 208 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [0,1,1,0,0,0|1,0,0]=3 209 B11R1.166 c1cc(c(cc1N)F)C(=O)O BC210195 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [0,1,1,0,0,0|1,0,0]=3 211 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O BC219622 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.167 B(c1cc(ccc1O)Cl)(O)O BC670614 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.167 B(c1cc(ccc1O)F)(O)O BC210598 [0,1,1,0,0,0|2,0,0]=4 214 B11R1.167 CC(=O)c1cc(ccc1O)Br BC209997 [0,1,1,0,0,0|1,0,1]=4 215 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br BC676166 [0,1,1,0,0,0|2,0,0]=4 216 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl BC207064 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.167 Cc1ccc(c(c1)C(=O)O)F BC220223 [0,1,1,0,0,0|2,0,0]=4 218 B11R1.167 Cc1ccc(c(c1)C(=O)O)I BC676196 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.167 Cc1ccc(cc1C(=O)O)Br BC222446 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.167 Cc1ccc(cc1C(=O)O)I BC219784 [0,1,1,0,0,0|2,0,0]=4 221 B11R1.167 Cc1ccc(cc1C(=O)O)N BC202438 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.167 Cc1ccc(cc1C(=O)O)O BC202426 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.167 c1c(cnc(c1C(=O)O)O)Br BC209271 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.167 c1c(cnc(c1C(=O)O)O)F BC219212 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br BC201121 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl BC226435 [0,1,1,0,0,0|2,0,0]=4 227 B11R1.167 c1cc(c(cc1Br)C(=O)O)F BC206180 [0,1,1,0,0,0|2,0,0]=4 228 B11R1.167 c1cc(c(cc1F)C(=O)O)Br BC206178 [0,1,1,0,0,0|2,0,0]=4 229 B11R1.167 c1cc(c(cc1I)C(=O)O)I BC676267 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.167 c1cc(c(cc1O)C(=O)O)F BC227490 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.167 c1cc(c(cc1O)C(=O)O)N BC214917 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O BC215928 [0,1,1,0,0,0|1,0,1]=4 233 B11R2.10 Cc1cc2ccccc2[nH]1 BC200996 [1,1,0,0,0,0|2,0,0]=4 234 B11R2.10 Cc1cc2ccccc2o1 BC600174 [1,1,0,0,0,0|1,0,0]=3 235 B11R2.10 Cc1cc2ccccc2o1 BC600186 [1,1,0,0,0,0|1,0,0]=3 236 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 BC200827 [1,1,0,0,0,0|2,0,0]=4 237 B11R2.36 Cc1ccc2c(c1)nn[n-]2 BC210127 [1,1,0,0,0,0|2,0,0]=4 238 B11R2.36 c1cc(cc2c1cc[nH]2)Br BC207398 [1,1,0,0,0,0|2,0,0]=4 239 B11R2.36 c1cc(cc2c1cc[nH]2)F BC214939 [1,1,0,0,0,0|2,0,0]=4 240 B11R2.36 c1cc(cc2c1cc[nH]2)N BC201232 [1,1,0,0,0,0|2,0,0]=4 241 B11R2.36 c1cc(cc2c1cc[nH]2)O BC213327 [1,1,0,0,0,0|2,0,0]=4 242 B11R2.36 c1cc(nc2c1cn[nH]2)Cl BC681968 [1,1,0,0,0,0|2,0,0]=4 243 B11R2.36 c1cc2c(cc1Br)OCO2 BC210789 [1,1,0,0,0,0|2,0,0]=4 244 B11R2.36 c1cc2c(cc1Br)cn[nH]2 BC205731 [1,1,0,0,0,0|1,0,0]=3 245 B11R2.36 c1cc2c(cc1Br)nco2 BC221842 [1,1,0,0,0,0|2,0,0]=4 246 B11R2.36 c1cc2c(cc1F)cn[nH]2 BC682098 [1,1,0,0,0,0|1,0,0]=3 247 B11R2.36 c1cc2c(cc1I)cn[nH]2 BC657844 [1,1,0,0,0,0|1,0,0]=3 248 B11R2.36 c1cc2c(cc1N)cn[nH]2 BC207407 [1,1,0,0,0,0|1,0,0]=3 249 B11R2.36 c1cc2c(cc1O)cn[nH]2 BC225431 [1,1,0,0,0,0|1,0,0]=3 250 B11R2.36 c1cc2c(cc[nH]2)cc1Br BC200873 [1,1,0,0,0,0|2,0,0]=4 251 B11R2.36 c1cc2c(cc[nH]2)cc1F BC200753 [1,1,0,0,0,0|2,0,0]=4 252 B11R2.36 c1cc2c(cc[nH]2)cc1N BC204540 [1,1,0,0,0,0|2,0,0]=4 253 B11R2.36 c1cc2c(cc[nH]2)cc1O BC201869 [1,1,0,0,0,0|2,0,0]=4 254 B11R2.36 c1cc2c(cco2)cc1Br BC677388 [1,1,0,0,0,0|1,0,0]=3 255 B11R2.36 c1cc2c(ccs2)cc1Br BC222298 [1,1,0,0,0,0|1,1,0]=4 256 B11R2.36 c1cc2cn[nH]c2cc1Br BC203592 [1,1,0,0,0,0|1,0,0]=3 257 B11R2.36 c1cc2cn[nH]c2cc1F BC682097 [1,1,0,0,0,0|1,0,0]=3 258 B11R2.36 c1cc2cn[nH]c2cc1I BC244510 [1,1,0,0,0,0|1,0,0]=3 259 B11R2.36 c1cc2cn[nH]c2cc1N BC207405 [1,1,0,0,0,0|1,0,0]=3 260 B11R2.106 Cc1cccc2c1C=CC2 BC600102 [1,1,0,0,0,0|2,0,0]=4 261 B11R2.106 Cc1cccc2c1cc[nH]2 BC220885 [1,1,0,0,0,0|2,0,0]=4 262 B11R2.106 c1cc(c2c(c1)OCO2)N BC653970 [1,1,0,0,0,0|2,0,0]=4 263 B11R2.106 c1cc2c(c(c1)Br)CC=C2 BC600259 [1,1,0,0,0,0|2,0,0]=4 264 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br BC205338 [1,1,0,0,0,0|2,0,0]=4 265 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl BC215880 [1,1,0,0,0,0|2,0,0]=4 266 B11R2.106 c1cc2c(cc[nH]2)c(c1)O BC202321 [1,1,0,0,0,0|2,0,0]=4 267 B11R2.106 c1cc2c(ccs2)c(c1)Br BC645851 [1,1,0,0,0,0|1,1,0]=4 268 B11R2.106 c1cc2c(ccs2)c(c1)Cl BC206324 [1,1,0,0,0,0|1,1,0]=4 269 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br BC681123 [1,1,0,0,0,0|1,0,0]=3 270 B11R2.106 c1cc2cc[nH]c2c(c1)F BC214940 [1,1,0,0,0,0|2,0,0]=4 271 B11R2.106 c1cnc2c(c1I)cn[nH]2 BC620496 [1,1,0,0,0,0|2,0,0]=4 272 B13R2.32 c1ccc2c(c1)ccc(c2Br)O BC675519 [0,1,0,0,0,1|2,0,0]=4 273 B13R2.57 COc1ccc2ccccc2n1 BC262285 [0,1,0,0,0,1|2,0,0]=4 274 B13R2.57 c1ccc2c(c1)OCC(O2)CO BC225814 [0,1,0,0,0,1|1,0,1]=4 275 B13R2.57 c1ccc2cnc(cc2c1)C#N BC225245 [0,1,0,0,0,1|2,0,0]=4 276 B13R2.162 c1cc2ccc(cc2c(c1)N)O BC204478 [0,1,0,0,0,1|2,0,0]=4 277 B13R2.162 c1cc2ccc(nc2c(c1)O)O BC215774 [0,1,0,0,0,1|2,0,0]=4 278 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl BC216435 [0,1,0,0,0,1|2,0,0]=4 279 B13R2.369 c1ccc2cc(c(cc2c1)O)O BC213423 [0,1,0,0,0,1|2,0,0]=4 280 B13R2.3683 c1cc(cc2c1cc(cc2)O)O BC205136 [0,1,0,0,0,1|2,0,0]=4 281 B13R2.3683 c1cc(cc2c1cc(nn2)Br)Cl BC682165 [0,1,0,0,0,1|2,0,0]=4 282 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl BC682146 [0,1,0,0,0,1|2,0,0]=4 283 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N BC208171 [0,1,0,0,0,1|2,0,0]=4 284 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N BC681081 [0,1,0,0,0,1|2,0,0]=4 285 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)O BC202271 [0,1,0,0,0,1|2,0,0]=4 286 B13R2.5179 c1cc2c(c(c1)Br)OCC(C2)O BC600056 [0,1,0,0,0,1|1,0,1]=4 287 B13R2.5179 c1cc2c(ccc(n2)O)c(c1)O BC256294 [0,1,0,0,0,1|2,0,0]=4 288 B13R2.5179 c1cc2cc(ccc2c(c1)O)O BC204477 [0,1,0,0,0,1|2,0,0]=4 289 B13R2.342 c1cc2c(cccc2O)c(c1)N BC204471 [0,1,0,0,0,1|2,0,0]=4 290 B13R2.342 c1cc2c(cccc2O)c(c1)O BC203267 [0,1,0,0,0,1|2,0,0]=4 291 B13R2.342 c1cc2c(ccnc2O)c(c1)O BC200203 [0,1,0,0,0,1|1,0,0]=3 292 B13R2.1613 COc1ccnc2c1cccc2 BC222673 [0,1,0,0,0,1|2,0,0]=4 293 B13R2.1613 c1ccc2c(c1)cccc2CO BC201264 [0,1,0,0,0,1|2,0,0]=4 294 B13R2.1613 c1ccc2c(c1)cncc2C=O BC679504 [0,1,0,0,0,1|1,0,1]=4 295 B13R2.4818 c1cc2cccc(c2c(c1)O)O BC205105 [0,1,0,0,0,1|2,0,0]=4 296 B13R2.72 B(c1c2ccccc2[nH]n1)(O)O BC207794 [0,2,0,0,0,0|1,0,0]=3 297 B13R2.72 B(c1c[nH]c2c1cccc2)(O)O BC682419 [0,2,0,0,0,0|2,0,0]=4 298 B13R2.72 CC(=O)c1c2ccccc2[nH]n1 BC649944 [0,2,0,0,0,0|1,0,1]=4 299 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O BC203227 [0,2,0,0,0,0|2,0,0]=4 300 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O BC222299 [0,2,0,0,0,0|1,1,0]=4 301 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O BC205473 [0,2,0,0,0,0|1,0,0]=3 302 B13R2.72 c1cncc2c1[nH]nc2C(=O)O BC681978 [0,2,0,0,0,0|2,0,0]=4 303 B13R2.662 CCc1c2ccc(cc2[nH]n1)Br BC682088 [0,2,0,0,0,0|2,0,0]=4 304 B13R2.2091 c1cc2c(c(c1)Br)c(n[nH]2)C#N BC600283 [0,2,0,0,0,0|2,0,0]=4 305 B13R2.2136 c1cc2c(cc1Cl)c(n[nH]2)C=O BC208487 [0,2,0,0,0,0|1,0,1]=4 306 B13R2.2136 c1cc2c(cc1F)c(n[nH]2)C=O BC208486 [0,2,0,0,0,0|1,0,1]=4 307 B13R2.2130 COc1ccc2c(c1)[nH]nc2O BC600083 [0,2,0,0,0,0|1,0,0]=3 308 B9R2.50 c1ccc2c(c1)CC2 BC658499 [1,0,0,0,1,0|1,0,1]=4 309 B11R1.86 c1ccc(c(c1)CC(=O)O)Br BC210254 [0,0,1,0,0,1|2,0,0]=4 310 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl BC675213 [0,0,1,0,0,1|2,0,0]=4