0 B10R1.13 B(c1ccc(cc1)Br)(O)O BC685826 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 B(c1ccc(cc1)C)(O)O BC210678 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 B(c1ccc(cc1)Cl)(O)O BC677573 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 B(c1ccc(cc1)F)(O)O BC227618 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 B(c1ccc(cn1)C)(O)O BC210680 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 B(c1ccc(nc1)Br)(O)O BC200364 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 B(c1ccc(nc1)C)(O)O BC656202 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 B(c1ccc(nc1)F)(O)O BC200359 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 B(c1ccc(nc1)N)(O)O BC686183 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC(=O)c1ccc(cc1)Br BC227589 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=O)c1ccc(cc1)Cl BC676864 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 CC(=O)c1ccc(cc1)F BC204121 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC(=O)c1ccc(cc1)O BC675526 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.13 CC(=O)c1ccc(cn1)Br BC655306 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 CC(=O)c1ccc(nc1)Br BC225222 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(=O)c1ccc(nc1)Cl BC200352 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 CC(C)c1ccc(cc1)Br BC213524 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC(c1ccc(cc1)Br)N BC204235 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 C[C@@H](c1ccc(cc1)Br)N BC216482 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 C[C@H](c1ccc(cc1)Br)N BC678930 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.13 Cc1ccc(cc1)C(C)C BC677632 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 Cc1ccc(cc1)N(C)C BC206482 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 Cc1ccc(cn1)C(=O)C BC678853 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 Cc1ccc(cn1)C(=O)O BC227043 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 Cc1ccc(cn1)C(C)O BC681105 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] BC207742 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 Cc1ccc(nc1)C(=O)O BC207540 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.13 Cc1cnc(cn1)C(=O)O BC675245 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 Cc1ncc(cn1)C(=O)O BC228072 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 c1c(cnc(n1)C(=O)O)Br BC222390 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] BC208272 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.13 c1c(ncc(n1)Cl)C(=O)O BC220986 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 c1c(ncc(n1)O)C(=O)O BC220987 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 c1cc(ccc1C(=N)N)N BC213772 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 c1cc(ccc1C(=N)N)O BC223815 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.13 c1cc(ccc1C(=O)N)O BC219028 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [0,0,0,0,0,0|0,0,0]=0 40 B10R1.13 c1cc(ccc1F)S(=O)[O-] BC200582 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] BC203717 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.13 c1cc(ncc1Br)C(=O)O BC213733 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.13 c1cc(ncc1C(=O)O)F BC214606 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.13 c1cc(ncc1C(=O)O)N BC213736 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.13 c1cc(ncc1C(=O)O)O BC215635 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.13 c1cc(ncc1Cl)C(=O)O BC224603 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.13 c1cc(ncc1F)C(=O)O BC224604 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.13 c1cc(ncc1N)C(=O)N BC228144 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 c1cc(ncc1N)C(=O)O BC210785 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.13 c1cc(ncc1O)C(=O)O BC224042 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.13 c1cc(ncc1[N+](=O)[O-])N BC227290 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.13 c1cc(nnc1C(=O)O)Cl BC686205 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.1 C#Cc1ccc(cc1)F BC215301 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 C#Cc1ccc(cc1)O BC671095 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.1 C=Cc1ccc(cc1)F BC227580 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 CNc1ccc(cc1)N BC220840 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 COc1ccc(cc1)Br BC676620 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 COc1ccc(cc1)N BC206279 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 COc1ccc(cn1)O BC678852 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 Cc1ccc(cc1)C#C BC213353 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 Cc1ccc(cc1)C#N BC676397 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 Cc1ccc(cc1)C=O BC211019 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.1 Cc1ccc(cc1)CBr BC200614 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 Cc1ccc(cc1)CN BC211128 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 Cc1ccc(cc1)NN BC213413 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 Cc1ccc(cc1)NN BC216063 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 Cc1ccc(cn1)C=C BC219567 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 Cc1ccc(nc1)C=C BC211746 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 Cc1ccc(nc1)C=O BC207526 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 Cc1ncc(cn1)C=O BC228073 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 c1cc(ccc1C#N)N BC226364 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.1 c1cc(ccc1C=O)Br BC213531 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.1 c1cc(ccc1C=O)N BC204291 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.1 c1cc(ccc1C=O)O BC227835 [1,0,0,0,0,0|0,0,0]=1 75 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 c1cc(ccc1CN)N BC676433 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.1 c1cc(ccc1CN)O BC210625 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.1 c1cc(ccc1CO)I BC220492 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.1 c1cc(ccc1CO)O BC227836 [1,0,0,0,0,0|0,0,1]=2 81 B9R1.1 c1cc(ccc1NN)Br BC213412 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 c1cc(ccc1NN)Cl BC675025 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 c1cc(ccc1NN)F BC206790 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 c1cc(ncc1Br)C=O BC225554 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 c1cc(ncc1Br)CO BC219783 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 c1cc(ncc1C=O)Cl BC226370 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.1 c1cc(ncc1C=O)F BC225548 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 c1cc(ncc1C=O)N BC262229 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.1 c1cc(ncc1C=O)O BC650796 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 c1cc(ncc1CO)F BC221862 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 c1cc(ncc1CO)O BC228000 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.1 c1cc(ncc1O)C#N BC208383 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.6 B(c1ccccc1)(O)O BC207007 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.6 B(c1ccccn1)(O)O BC210694 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.6 B(c1cccnc1)(O)O BC210695 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.6 B(c1ccncc1)(O)O BC208313 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.6 CC(=O)c1ccccc1 BC206207 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.6 CC(=O)c1cccnc1 BC207736 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.6 CC(=O)c1ccncc1 BC204635 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 CC(=O)c1cncnc1 BC653324 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.6 CN(c1ccccc1)N BC677890 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.6 C[C@H](c1ccccc1)N BC226220 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.6 c1c(cncn1)C(=O)O BC227972 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.6 c1c(cncn1)C(=O)O BC674875 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.6 c1cnc(cn1)C(=O)Cl BC223499 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.6 c1cnc(nc1)C(=O)O BC228091 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.6 c1cnccc1C(=N)N BC223492 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.6 c1cncnc1C(=O)O BC201449 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.6 c1cnncc1C(=O)O BC201463 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.3 B(c1ccc(cc1)C#N)(O)O BC205356 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.3 B(c1ccc(cc1)C=O)(O)O BC226078 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.3 B(c1ccc(cc1)CBr)(O)O BC221884 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.3 B(c1ccc(cc1)CO)(O)O BC200406 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.3 B(c1ccc(cc1)OC)(O)O BC298193 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.3 B(c1ccc(nc1)OC)(O)O BC200358 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.3 C=Cc1ccc(cc1)C(=O)O BC685896 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.3 CCc1ccc(cc1)C(=O)O BC250059 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.3 CN(C)c1ccc(cc1)OC BC214399 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.3 CNc1ccc(cc1)C(=O)O BC214404 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] BC646117 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.3 COc1ccc(cn1)C(=O)O BC681662 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.3 COc1ccc(nc1)C(=O)O BC650815 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.3 C[C@H](c1ccc(cc1)OC)N BC222031 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.3 c1cc(ccc1C#N)C(=O)Cl BC224844 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.3 c1cc(ccc1C#N)C(=O)O BC225817 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.3 c1cc(ccc1C(=O)O)NN BC685866 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.3 c1cc(ccc1C=O)C(=O)O BC203124 [0,1,0,0,0,0|0,0,1]=2 136 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] BC226826 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.3 c1cc(ccc1CBr)C(=O)O BC211697 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] BC228029 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.3 c1cc(ccc1CN)C(=O)O BC219606 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.3 c1cc(ccc1CO)C(=O)O BC215027 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.19 CS(=O)(=O)c1ccc(cc1)N BC213367 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.19 CS(=O)(=O)c1ccc(cc1)O BC214463 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl BC650741 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O BC203776 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O BC204518 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O BC244540 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] BC228060 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O BC677035 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.19 c1cc(ccc1C(F)(F)F)O BC226815 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.19 c1cc(ccc1F)S(=O)(=O)Cl BC203563 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.19 c1cc(ccc1N)S(=O)(=O)O BC204845 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.19 c1cc(ccc1N)[As](=O)(O)O BC203993 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.19 c1cc(ccc1O)S(=O)(=O)Cl BC224737 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.19 c1cc(ccc1O)S(=O)(=O)O BC652607 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Br BC213345 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.21 B(c1ccc(c(c1)C)O)(O)O BC684739 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br BC675515 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl BC200288 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.21 CC(=O)c1ccc(c(c1)Br)F BC210238 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl BC677102 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.21 CC(=O)c1ccc(c(c1)F)Br BC219905 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.21 CC(=O)c1ccc(c(c1)F)F BC201362 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.21 CC(=O)c1ccc(c(c1)F)O BC227598 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.21 CC(=O)c1ccc(c(c1)N)F BC209409 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.21 CC(=O)c1ccc(c(c1)O)O BC220893 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.21 Cc1cc(ncc1Br)C(=O)O BC298265 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.21 Cc1cc(ncc1Br)C(=O)O BC672119 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.21 Cc1ccc(cc1Br)C(=O)O BC203701 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.21 Cc1ccc(cc1C)C(=O)O BC215410 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.21 Cc1ccc(cc1I)C(=O)Cl BC261034 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.21 Cc1ccc(cc1I)C(=O)O BC207738 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.21 Cc1ccc(cc1N)C(=O)O BC201386 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.21 Cc1ccc(cc1O)C(=O)O BC676273 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O BC200650 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O BC220525 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O BC215634 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.21 c1c(cnc(c1Cl)O)[N+](=O)[O-] BC228845 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F BC227458 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.21 c1cc(c(cc1C(=O)O)F)N BC227466 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl BC683731 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.21 c1cc(c(cc1C(=O)O)N)N BC210311 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.21 c1cc(c(cc1C(=O)O)N)O BC226975 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl BC225280 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.21 c1cc(c(cc1C(=O)O)O)N BC225276 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)F BC207139 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.21 c1cc(c(cc1N(=O)=O)N)F BC207144 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.21 c1cc(c(cc1N(=O)=O)O)N BC225947 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N BC677934 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O BC214353 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br BC227786 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F BC679701 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.21 c1cc(nc(c1F)Br)C(=O)O BC297809 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.21 c1cc(nc(c1F)F)C(=O)O BC214611 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.22 CCC(=O)c1ccc(cc1)N BC210208 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.22 CCC(=O)c1ccc(cc1)O BC227841 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.22 CNC(=O)c1ccc(cc1)Br BC290335 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.22 COC(=O)c1ccc(cc1)Br BC215377 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.22 COC(=O)c1ccc(cc1)I BC213654 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.22 COC(=O)c1ccc(cc1)[O-] BC209217 [0,1,0,0,0,0|0,0,1]=2 201 B11R1.22 COC(=O)c1ccc(cn1)Br BC219158 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.22 COC(=O)c1ccc(cn1)O BC224006 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.22 COC(=O)c1ccc(nc1)Br BC219205 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.22 COC(=O)c1ccc(nc1)Cl BC219222 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.22 COC(=O)c1ccc(nc1)F BC219217 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.22 COC(=O)c1ccc(nc1)N BC227076 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.22 COC(=O)c1cnc(cn1)Cl BC208084 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.22 COC(=O)c1cnc(cn1)O BC219767 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.22 Cc1ccc(cn1)C(=O)OC BC207925 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.22 c1cc(ccc1C(=O)CBr)N BC652867 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.22 c1cc(ccc1C(=O)CBr)O BC685303 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.22 c1cc(ccc1C(=O)CN)Br BC201169 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.22 c1cc(ccc1C(=O)CN)Br BC253950 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.22 c1cc(ccc1C(=O)CN)F BC201168 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.22 c1cc(ccc1C(=O)CN)F BC201440 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.166 B(c1ccc(cc1C)O)(O)O BC678791 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.166 B(c1ccc(cc1Cl)O)(O)O BC210282 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.166 B(c1ccc(cc1F)Cl)(O)O BC250589 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.166 B(c1ccc(cc1F)F)(O)O BC208385 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.166 CC(=O)c1ccc(cc1Br)Br BC220380 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.166 CC(=O)c1ccc(cc1Br)Cl BC652621 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.166 CC(=O)c1ccc(cc1Br)O BC210243 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.166 CC(=O)c1ccc(cc1Cl)Br BC200637 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.166 CC(=O)c1ccc(cc1Cl)N BC296971 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC209150 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC215805 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.166 CC(=O)c1ccc(cc1F)Br BC658892 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.166 CC(=O)c1ccc(cc1F)Cl BC686320 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.166 CC(=O)c1ccc(cc1F)F BC200226 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.166 CC(=O)c1ccc(cc1F)O BC208072 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.166 Cc1c(ccc(n1)F)C(=O)O BC219214 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] BC219191 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.166 Cc1cc(c(cn1)C(=O)O)O BC216112 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F BC206757 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.166 Cc1cc(ncc1C(=O)O)N BC228733 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O BC204590 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O BC676276 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] BC678588 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.166 Cc1ccc(c(c1)F)C(=O)O BC225677 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] BC206758 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.166 Cc1ccc(c(c1)N)C(=O)N BC217679 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.166 Cc1ccc(c(c1)N)C(=O)O BC225271 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.166 Cc1ccc(c(c1)O)C(=O)N BC202384 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl BC201303 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl BC220335 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O BC676270 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.166 c1cc(c(cc1Br)F)C(=O)O BC206179 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.166 c1cc(c(cc1Br)N)C(=O)O BC227467 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O BC210276 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N BC620183 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.166 c1cc(c(cc1F)Br)C(=O)O BC206177 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] BC652333 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] BC226757 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.166 c1cc(c(cc1F)N)C(=O)O BC204309 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] BC206751 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.166 c1cc(c(cc1N)F)C(=O)O BC210195 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O BC219622 [0,1,0,0,0,0|0,0,0]=1 265 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] BC204313 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl BC218961 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,0,0,0,1,0|0,0,3]=4 268 B9R1.35 CC(=O)c1cc(cs1)Cl BC226225 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.35 Cc1[nH]cc(n1)C(=O)O BC679140 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.35 Cc1cc(no1)C(=O)O BC650587 [0,0,0,0,1,0|3,0,0]=4 271 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,0,0,0,1,0|3,0,0]=4 272 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,0,0,0,1,0|3,0,0]=4 273 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [0,0,0,0,1,0|2,0,0]=3 274 B9R1.35 Cc1cnc(s1)C(=O)O BC675563 [0,0,0,0,1,0|3,0,0]=4 275 B9R1.35 Cc1csc(n1)C(=O)O BC675561 [0,0,0,0,1,0|3,0,0]=4 276 B9R1.35 Cc1nc(co1)C(=O)O BC203608 [0,0,0,0,1,0|3,0,0]=4 277 B9R1.35 Cc1ncc(s1)C(=O)O BC681903 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.35 Cn1cc(nc1)C(=O)O BC219620 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.35 c1c(csc1C(=O)O)Br BC676028 [0,0,0,0,1,0|2,0,0]=3 280 B9R1.35 c1cc(sc1C(=O)O)Cl BC219931 [0,0,0,0,1,0|2,0,0]=3 281 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [0,0,0,0,0,1|1,0,0]=2 282 B11R1.20 CC(=O)Nc1ccc(cc1)O BC204766 [0,0,0,0,0,1|1,0,0]=2 283 B11R1.20 CC(=O)Nc1ccc(cc1)S BC210348 [0,0,0,0,0,1|1,1,0]=3 284 B11R1.20 c1cc(ccc1CC(=O)O)Br BC203407 [0,0,0,0,0,1|1,0,0]=2 285 B11R1.20 c1cc(ccc1CC(=O)O)O BC228201 [0,0,0,0,0,1|0,0,0]=1 286 B8R1.2 C=Cc1cccnc1 BC675972 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 c1c(cncn1)C=O BC200327 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 c1cc(cnc1)C=O BC221128 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 c1cc(cnc1)CO BC209311 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 c1cc(nnc1)C=O BC667339 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 c1ccc(cc1)CBr BC220250 [2,0,0,0,0,0|1,0,1]=4 293 B8R1.2 c1ccc(cc1)CCl BC210975 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.2 c1ccc(cc1)CO BC222892 [2,0,0,0,0,0|0,0,1]=3 295 B8R1.2 c1ccc(cc1)N=O BC684726 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 c1cnc(cn1)C=O BC681558 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 c1cnc(nc1)C=O BC228094 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 c1cncnc1C=O BC652156 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [2,0,0,0,0,0|0,0,1]=3 301 B8R1.3 Cc1ccc(cc1)I BC208320 [2,0,0,0,0,0|1,0,1]=4 302 B8R1.3 Cc1ccc(cn1)O BC213724 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.3 c1cc(ccc1Br)I BC206965 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.3 c1cc(ccc1Cl)Br BC207086 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.3 c1cc(ccc1Cl)I BC675841 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.3 c1cc(ccc1N)Br BC204243 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.3 c1cc(ccc1N)F BC226190 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.3 c1cc(ccc1N)O BC227837 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.3 c1cc(ccc1N)S BC676770 [2,0,0,0,0,0|1,1,0]=4 310 B8R1.3 c1cc(ccc1O)Br BC228016 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.3 c1cc(ccc1O)I BC226747 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.3 c1cc(ccc1O)O BC207641 [2,0,0,0,0,0|0,0,0]=2 313 B8R1.3 c1cc(ncc1Br)O BC219149 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 c1cc(ncc1F)O BC219174 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 c1cc(ncc1I)O BC228859 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 c1cc(ncc1N)O BC653280 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 c1cc(ncc1O)Br BC208384 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 c1cc(ncc1O)Cl BC208468 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 c1cc(ncc1O)F BC221861 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 c1cc(ncc1O)I BC200349 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 c1cc(ncc1O)N BC226650 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 c1cc(nnc1O)O BC225807 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.1 COCc1ccc(cc1)O BC674868 [1,1,0,0,0,0|0,0,1]=3 324 B10R1.1 c1cc(ccc1CCO)Br BC646236 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.1 c1cc(ccc1CCO)O BC676907 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.1 c1cc(ccc1N=C=O)F BC219243 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.1 c1cc(ccc1\C=N\O)F BC684728 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.3 C#Cc1ccc(cc1)CO BC686208 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.3 C=Cc1ccc(cc1)CCl BC214833 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.3 C=Cc1ccc(cc1)CO BC221109 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.3 COc1ccc(cc1)C#C BC215299 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.3 COc1ccc(cc1)CCl BC676749 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.3 COc1ccc(cc1)CN BC208901 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.3 COc1ccc(cc1)CS BC208815 [1,1,0,0,0,0|0,1,1]=4 335 B10R1.3 COc1ccc(cc1)NN BC206166 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.3 COc1ccc(cc1)[Mg]Br BC653679 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.3 COc1ncc(cn1)C=O BC200326 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.3 c1cc(ccc1C=O)C#N BC209249 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.3 c1cc(ccc1CO)CCl BC217419 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.25 C=Cc1ccc(cc1F)F BC227581 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.25 CCc1ccc(cc1O)O BC201065 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.25 Cc1cc(ccc1C=O)F BC211665 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.25 Cc1cc(ccc1C=O)O BC215465 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.25 c1cc(c(cc1Br)Cl)C=O BC227733 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.25 c1cc(c(cc1Br)F)C=O BC227694 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.25 c1cc(c(cc1Cl)Br)C=O BC658860 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.25 c1cc(c(cc1O)Cl)C=O BC676095 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [1,1,0,0,0,0|0,0,0]=2 356 B10R1.25 c1cc(nc(c1C=O)Cl)Cl BC227133 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.176 COc1ccc(c(c1)F)O BC255276 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.176 Cc1cc(ccc1O)C=O BC204612 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.176 Cc1ccc(cc1I)C=O BC218138 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.176 c1cc(c(cc1C#N)F)O BC226681 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.176 c1cc(c(cc1C#N)O)O BC220357 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.176 c1cc(c(cc1C=O)Br)Cl BC228158 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.176 c1cc(c(cc1C=O)Br)O BC205837 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.176 c1cc(c(cc1C=O)Cl)Cl BC204289 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.176 c1cc(c(cc1C=O)F)Br BC227697 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.176 c1cc(c(cc1C=O)F)Cl BC206745 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.176 c1cc(c(cc1C=O)F)F BC227722 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.15 C#CC(c1ccccc1)O BC218343 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.15 COC(=O)c1ccncc1 BC205546 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.15 COC(=O)c1cnccn1 BC205804 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.15 COC(=O)c1ncccn1 BC228090 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.15 c1cnccc1C(=O)CBr BC677150 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.15 c1cnccc1C(=O)NN BC204682 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.28 c1cc(cnc1)S(=O)(=O)O BC226070 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl BC204660 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.28 c1ccnc(c1)S(=O)(=O)O BC219768 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.61 B(c1ccccc1C)(O)O BC210677 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 CC(=O)c1ccccc1Br BC213650 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.61 CC(=O)c1ccccc1F BC227587 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.61 CC(=O)c1cccnc1Cl BC204454 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.61 CC(=O)c1cccnc1N BC200176 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.61 Cc1ccccc1C(=O)O BC675262 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.61 Cc1cccnc1C(=O)O BC207538 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.61 Cc1cnccc1C(=O)O BC222643 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.61 c1cc(c(nc1)C(=O)N)N BC653727 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl BC206498 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.61 c1cc(c(nc1)Cl)C(=O)O BC227088 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.61 c1cc(c(nc1)F)C(=O)O BC214598 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [1,1,0,0,0,0|0,0,0]=2 405 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl BC203433 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F BC675797 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S BC206397 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.61 c1cnc(c(n1)C(=O)O)Cl BC686579 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.61 c1cnc(c(n1)C(=O)O)N BC205346 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.61 c1cnc(c(n1)C(=O)O)O BC205347 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.61 c1cncc(c1Br)C(=O)O BC226654 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.61 c1cncc(c1C(=O)O)N BC208031 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.61 c1cncc(c1F)C(=O)O BC677128 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.61 c1cncc(c1N)C(=O)N BC227114 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.61 c1cncc(c1N)C(=O)O BC208030 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.61 c1cncc(c1O)C(=O)O BC222453 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.113 B(c1cccc(c1)C)(O)O BC219834 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.113 B(c1cccc(c1)Cl)(O)O BC205354 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.113 CC(=O)c1cc(cnc1)Br BC200353 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.113 CC(=O)c1cccc(c1)Br BC217580 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.113 CC(=O)c1cccc(n1)Br BC225218 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.113 C[n+]1cccc(c1)C(=O)N BC229164 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.113 Cc1cc(cnc1)C(=O)O BC212576 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.113 Cc1cccc(n1)C(=O)O BC210679 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.113 Cc1nccc(n1)C(=O)O BC684779 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.113 c1c(cncc1Br)C(=O)O BC213725 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.113 c1c(cncc1F)C(=O)O BC228161 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.113 c1c(cncc1N)C(=O)O BC207804 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.113 c1c(cncc1O)C(=O)O BC206883 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.113 c1c(nc(cn1)Cl)C(=O)O BC686580 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.113 c1c(ncnc1Cl)C(=O)O BC652478 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.113 c1c(ncnc1O)C(=O)O BC202213 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] BC228014 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.113 c1cc(cc(c1)Cl)C(=O)O BC225403 [1,1,0,0,0,0|0,0,0]=2 436 B10R1.113 c1cc(cc(c1)O)C(=O)O BC676293 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.113 c1cc(nc(c1)Br)C(=O)O BC207990 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.113 c1cc(nc(c1)Cl)C(=O)O BC213732 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.113 c1cc(nc(c1)N)C(=O)O BC220442 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.113 c1cnc(cc1Br)C(=O)O BC208210 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.113 c1cnc(cc1C(=O)O)Br BC207062 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.113 c1cnc(cc1C(=O)O)Cl BC209274 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.113 c1cnc(cc1C(=O)O)N BC220337 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.113 c1cnc(cc1Cl)C(=O)O BC202385 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.113 c1cnc(cc1N)C(=O)O BC651732 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.113 c1cnc(nc1C(=O)O)Cl BC266406 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.14 COC(=O)c1cc(cs1)N BC672043 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.14 COC(=O)c1ccc(s1)N BC645938 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.31 COc1cc(sc1)C(=O)Cl BC676009 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.31 c1c(csc1C(=O)O)C#N BC645474 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.31 c1cc(sc1C=O)C(=O)O BC685955 [0,1,0,0,1,0|1,0,1]=4 452 B12R1.4 CC(=O)Cc1ccc(cc1)OC BC204252 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.4 CC(=O)Oc1ccc(cc1)CBr BC600179 [0,1,0,0,0,1|2,0,0]=4 454 B12R1.4 COc1ccc(cc1)CC(=O)O BC675206 [0,1,0,0,0,1|0,0,0]=2 455 B12R1.4 c1cc(ccc1CC(=O)O)C#N BC228621 [0,1,0,0,0,1|1,0,0]=3 456 B12R1.4 c1cc(ccc1CC(=O)O)CBr BC219001 [0,1,0,0,0,1|1,0,0]=3 457 B12R1.4 c1cc(ccc1CC(=O)O)CCl BC211066 [0,1,0,0,0,1|1,0,0]=3 458 B12R1.4 c1cc(ccc1CC(=O)O)CN BC295594 [0,1,0,0,0,1|1,0,0]=3 459 B12R1.4 c1cc(ccc1CC(=O)O)CN BC656149 [0,1,0,0,0,1|1,0,0]=3 460 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl BC676800 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O BC206348 [0,1,0,0,0,1|0,0,0]=2 462 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O BC679793 [0,1,0,0,0,1|1,0,0]=3 463 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N BC215476 [0,1,0,0,0,1|1,0,0]=3 464 B12R1.20 Cc1ccc(cc1)C(C(=O)O)O BC215715 [0,1,0,0,0,1|1,0,0]=3 465 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl BC215712 [0,1,0,0,0,1|1,0,0]=3 466 B12R1.20 c1cc(ccc1C(C(=O)O)O)F BC215711 [0,1,0,0,0,1|1,0,0]=3 467 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O BC686216 [0,1,0,0,0,1|0,0,0]=2 468 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O BC205796 [0,1,0,0,0,1|0,0,0]=2 469 B12R1.49 COC(=O)Cc1ccc(cc1)Br BC207826 [0,1,0,0,0,1|1,0,0]=3 470 B12R1.49 COC(=O)Cc1ccc(cc1)O BC207602 [0,1,0,0,0,1|0,0,0]=2 471 B12R1.106 CS(=O)(=O)Oc1ccc(cc1)O BC200161 [0,1,0,0,0,1|1,0,1]=4 472 B12R1.233 Cc1cc(ccc1CC(=O)O)F BC676492 [0,1,0,0,0,1|1,0,0]=3 473 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O BC219231 [0,1,0,0,0,1|1,0,0]=3 474 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O BC219230 [0,1,0,0,0,1|1,0,0]=3 475 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O BC678373 [0,1,0,0,0,1|1,0,0]=3 476 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O BC219229 [0,1,0,0,0,1|1,0,0]=3 477 B12R1.233 c1cc(c(cc1N)F)CC(=O)O BC218636 [0,1,0,0,0,1|1,0,0]=3 478 B12R1.233 c1cc(c(cc1O)F)CC(=O)O BC676509 [0,1,0,0,0,1|0,0,0]=2 479 B12R1.5 COC(=O)c1ccc(cc1)C#N BC206382 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.5 COC(=O)c1ccc(cc1)C=O BC206269 [0,2,0,0,0,0|0,0,1]=3 481 B12R1.5 COC(=O)c1ccc(cc1)CBr BC204605 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.5 COC(=O)c1ccc(cc1)CCl BC206284 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.5 COC(=O)c1ccc(cc1)CO BC651940 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.5 COc1ccc(cc1)C(=O)CCl BC220494 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.5 COc1ccc(cc1)C(=O)CN BC201177 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.5 COc1ccc(cn1)C(=O)OC BC213243 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.5 c1cc(ccc1C#N)C(=O)C#N BC253992 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N BC679333 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.48 CCc1ccc(cc1N)C(=O)O BC201184 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.48 CCc1ccc(cc1O)C(=O)O BC222051 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.48 COc1ccc(cc1N)C(=O)O BC210201 [0,2,0,0,0,0|0,0,0]=2 492 B12R1.48 COc1ccc(cc1O)C(=O)O BC203589 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N BC220814 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.113 c1cc(ccc1CCO)C(=O)O BC224076 [0,2,0,0,0,0|0,0,0]=2 495 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O BC226845 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O BC213536 [0,2,0,0,0,0|0,0,1]=3 497 B12R1.256 CC(C)c1ccc(cc1)C(=O)O BC208085 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.256 CC(C)c1ccc(cn1)C(=O)O BC679125 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.256 c1c(ncc(n1)C(=O)O)C(=O)O BC223500 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.256 c1cc(ccc1C(=O)Cl)[N+](=O)[O-] BC225488 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.256 c1cc(ncc1[N+](=O)[O-])C(=O)O BC208361 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.452 B(c1ccc(cc1C)OC)(O)O BC210653 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.452 B(c1ccc(cc1F)OC)(O)O BC222052 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O BC225273 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl BC227434 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] BC671121 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.452 c1cc(c(cc1CO)F)N(=O)=O BC220991 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O BC228673 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.56 COc1cc(ccc1N)C(=O)O BC225277 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] BC652187 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O BC677931 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C=O)O BC200738 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.232 CC(=O)c1cc(c(cc1N)Br)F BC649921 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F BC676282 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O BC220174 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.232 Cc1cc(c(cc1O)C)C(=O)O BC600009 [0,2,0,0,0,0|0,0,0]=2 517 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O BC227472 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O BC676485 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O BC220227 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O BC676249 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O BC201128 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.367 COC(=O)c1ccc(c(c1)Br)I BC658830 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.367 COC(=O)c1ccc(c(c1)Br)O BC687332 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.367 COC(=O)c1ccc(c(c1)I)O BC687193 [0,2,0,0,0,0|0,0,0]=2 525 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl BC206643 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.367 COC(=O)c1ccc(c(c1)N)O BC681466 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.367 COC(=O)c1ccc(c(c1)O)N BC225285 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.367 Cc1cc(ccc1O)C(=O)OC BC205258 [0,2,0,0,0,0|0,0,0]=2 529 B12R1.367 Cc1ccc(cc1I)C(=O)OC BC687190 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.367 Cc1ccc(cc1O)C(=O)OC BC201412 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl BC677537 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O BC201244 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O BC680460 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O BC214608 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br BC208153 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I BC208155 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N BC208251 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)N BC676497 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.1005 Cc1c(cc(cc1O)C(=O)O)O BC203422 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)N BC676763 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O BC638985 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O BC676164 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.1005 c1c(cc(c(c1F)O)F)N(=O)=O BC222570 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.1005 c1c(cc(c(c1O)F)F)C(=O)O BC205328 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O BC200279 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.16 CCOC(=O)c1ccc(cc1)Br BC202043 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.16 CCOC(=O)c1ccc(cc1)I BC206124 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.16 CCOC(=O)c1ccc(cc1)N BC203342 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.16 CCOC(=O)c1ccc(nc1)N BC205872 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.16 CCOC(=O)c1ccc(nc1)O BC228001 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.16 CNCC(c1ccc(cc1)O)O BC678112 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.16 c1cc(ccc1C(=O)CC#N)F BC226160 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.16 c1cc(ccc1C(=O)CCCl)F BC200670 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.1703 COC(=O)c1ccc(cc1N)Br BC676481 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.1703 COC(=O)c1ccc(cc1O)O BC649964 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl BC677895 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.1703 Cc1cc(ccc1C(=O)OC)N BC676769 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC BC204333 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC BC220828 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN BC201179 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.1703 c1cc(c(cc1Cl)Cl)\C(=N\O)\N BC256318 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr BC224376 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.57 COc1cc(ccc1C(=O)O)O BC205210 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.57 c1cc(c(cc1Cl)NN)C(=O)O BC646048 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.57 c1cc(c(cc1O)C#N)[N+](=O)[O-] BC208106 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.1000 Cc1cc(cc(c1C(=O)C)O)O BC211153 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F BC658797 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl BC652434 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl BC678272 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br BC205490 [0,2,0,0,0,0|1,0,0]=3 571 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [1,0,0,1,0,0|1,0,0]=3 572 B12R2.606 Cc1cc2cc(ccc2[nH]1)O BC218989 [0,0,0,1,0,1|2,0,0]=4 573 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 BC220105 [0,0,0,1,0,1|2,0,0]=4 574 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl BC210022 [0,0,0,1,0,1|2,0,0]=4 575 B12R2.606 c1cc2c(cc1Cl)oc(n2)S BC202290 [0,0,0,1,0,1|1,1,0]=4 576 B12R2.606 c1cc2c(cc1Cl)sc(n2)O BC208542 [0,0,0,1,0,1|1,1,0]=4 577 B12R2.606 c1cc2c(cc1F)CC(=O)N2 BC220692 [0,0,0,1,0,1|2,0,0]=4 578 B12R2.606 c1cc2c(cc1N)CC(=O)N2 BC675051 [0,0,0,1,0,1|2,0,0]=4 579 B12R2.606 c1cc2c(cc1N)NC(=O)C2 BC682076 [0,0,0,1,0,1|2,0,0]=4 580 B12R2.606 c1cc2c(cc1O)CC(=O)N2 BC224138 [0,0,0,1,0,1|1,0,0]=3 581 B12R2.606 c1cc2c(cc1O)NC(=O)C2 BC682133 [0,0,0,1,0,1|1,0,0]=3 582 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 BC225110 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.612 Cc1ccc2c(c1)CCC2=O BC218986 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.612 c1cc2c(cc1Br)CCC2=O BC210245 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.612 c1cc2c(cc1Cl)CCC2=O BC200429 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.612 c1cc2c(cc1F)CCC2=O BC202173 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.612 c1cc2c(cc1N)CCC2=O BC219807 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.612 c1cc2c(cc1O)CCC2=O BC200684 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.1 Cc1cc(sc1)C=O BC645199 [1,0,0,0,1,0|2,0,0]=4 592 B8R1.1 c1c(coc1C=O)Br BC645867 [1,0,0,0,1,0|2,0,0]=4 593 B8R1.1 c1c(csc1C=O)Br BC678555 [1,0,0,0,1,0|2,0,0]=4 594 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [1,0,0,0,1,0|2,0,0]=4 595 B8R1.7 c1c(nco1)C(=O)O BC677324 [1,0,0,0,1,0|2,0,0]=4 596 B8R1.7 c1c(scn1)C(=O)O BC677323 [1,0,0,0,1,0|2,0,0]=4 597 B8R1.7 c1c[nH]nc1C(=O)O BC203654 [1,0,0,0,1,0|2,0,0]=4 598 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [1,0,0,0,1,0|1,0,0]=3 599 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [1,0,0,0,1,0|2,0,0]=4 600 B8R1.7 c1cnsc1C(=O)O BC202175 [1,0,0,0,1,0|2,0,0]=4 601 B8R1.7 c1cocc1C(=O)Cl BC650563 [1,0,0,0,1,0|2,0,0]=4 602 B8R1.7 c1conc1C(=O)O BC207645 [1,0,0,0,1,0|2,0,0]=4 603 B8R1.7 c1csc(n1)C(=O)O BC651955 [1,0,0,0,1,0|2,0,0]=4 604 B8R1.7 c1cscc1C(=O)Cl BC681079 [1,0,0,0,1,0|2,0,0]=4 605 B8R1.7 c1cscc1C(=O)O BC213229 [1,0,0,0,1,0|1,0,0]=3 606 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [1,0,0,0,0,1|1,0,0]=3 607 B10R1.18 c1c(cncn1)CC(=O)O BC228079 [1,0,0,0,0,1|2,0,0]=4 608 B10R1.18 c1cc(cnc1)CC(=O)O BC228147 [1,0,0,0,0,1|1,0,0]=3 609 B10R1.18 c1ccc(cc1)C=C(Br)Br BC600066 [1,0,0,0,0,1|2,0,0]=4 610 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [1,0,0,0,0,1|1,0,0]=3 611 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [1,0,0,0,0,1|1,0,0]=3 612 B10R1.18 c1cnccc1CC(=O)O BC220630 [1,0,0,0,0,1|1,0,0]=3 613 B12R1.21 c1cc(ccc1CCC(=O)O)O BC678073 [0,0,0,0,0,2|0,0,0]=2