0 B9R1.6 B(c1ccccc1)(O)O BC207007 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.6 B(c1ccccn1)(O)O BC210694 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.6 B(c1cccnc1)(O)O BC210695 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.6 B(c1ccncc1)(O)O BC208313 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,0,0,0,0,0|0,1,1]=2 5 B9R1.6 CC(=O)c1cccnc1 BC207736 [0,0,0,0,0,0|1,1,1]=3 6 B9R1.6 CC(=O)c1ccncc1 BC204635 [0,0,0,0,0,0|1,1,1]=3 7 B9R1.6 CC(=O)c1cncnc1 BC653324 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.6 CN(C)c1ccncc1 BC206167 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 CN(c1ccccc1)N BC677890 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 C[C@H](c1ccccc1)N BC226220 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [0,0,0,0,0,0|2,1,1]=4 14 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [0,0,0,0,0,0|2,1,1]=4 18 B9R1.6 c1cnccc1C(=N)N BC223492 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.2 C#Cc1ccccn1 BC225212 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.2 C#Cc1ccncc1 BC677907 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.2 C=Cc1cccnc1 BC675972 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.2 CCc1cccnc1 BC223674 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.2 COc1cccnc1 BC653137 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.2 c1c(cncn1)CBr BC678767 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 c1c(cncn1)CCl BC678766 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 c1c(cncn1)CO BC228080 [1,0,0,0,0,0|2,1,0]=4 28 B8R1.2 c1cc(cnc1)C=O BC221128 [1,0,0,0,0,0|1,1,1]=4 29 B8R1.2 c1cc(cnc1)CBr BC258182 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 c1cc(cnc1)CBr BC281217 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 c1cc(cnc1)CCl BC204269 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 c1cc(cnc1)CN BC205833 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 c1cc(cnc1)CO BC209311 [1,0,0,0,0,0|1,1,0]=3 34 B8R1.2 c1cc(cnc1)NN BC231979 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 c1cc(cnc1)NN BC686688 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 c1cc(cnc1)NN BC686691 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 c1ccc(cc1)CBr BC220250 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.2 c1ccc(cc1)CCl BC210975 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 c1ccc(cc1)CO BC222892 [1,0,0,0,0,0|0,1,0]=2 40 B8R1.2 c1ccc(cc1)N=O BC684726 [1,0,0,0,0,0|1,1,0]=3 41 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 c1ccnc(c1)CCl BC213218 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 c1ccnc(c1)CCl BC227992 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 c1cnc(nc1)CCl BC212037 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 c1cnc(nc1)CN BC671460 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 c1cncnc1CO BC228082 [1,0,0,0,0,0|2,1,0]=4 47 B10R1.13 B(c1ccc(cc1)Br)(O)O BC685826 [0,1,0,0,0,0|2,1,0]=4 48 B10R1.13 B(c1ccc(cc1)C)(O)O BC210678 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.13 B(c1ccc(cc1)Cl)(O)O BC677573 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.13 B(c1ccc(cc1)F)(O)O BC227618 [0,1,0,0,0,0|2,1,0]=4 51 B10R1.13 CC(=O)c1ccc(cc1)Br BC227589 [0,1,0,0,0,0|0,1,1]=3 52 B10R1.13 CC(=O)c1ccc(cc1)Cl BC676864 [0,1,0,0,0,0|0,1,1]=3 53 B10R1.13 CC(=O)c1ccc(cc1)F BC204121 [0,1,0,0,0,0|0,1,1]=3 54 B10R1.13 CC(=O)c1ccc(cc1)O BC675526 [0,1,0,0,0,0|0,1,1]=3 55 B10R1.13 CC(=O)c1ccc(cn1)Br BC655306 [0,1,0,0,0,0|1,1,1]=4 56 B10R1.13 CC(=O)c1ccc(nc1)Br BC225222 [0,1,0,0,0,0|1,1,1]=4 57 B10R1.13 CC(=O)c1ccc(nc1)Cl BC200352 [0,1,0,0,0,0|1,1,1]=4 58 B10R1.13 CC(C)c1ccc(cc1)Br BC213524 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.13 CC(C)c1ccc(cn1)N BC675244 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(c1ccc(cc1)Br)N BC204235 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 C[C@@H](c1ccc(cc1)Br)N BC216482 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 C[C@H](c1ccc(cc1)Br)N BC678930 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [0,1,0,0,0,0|1,1,1]=4 64 B10R1.13 Cc1ccc(cc1)C(C)C BC677632 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.13 Cc1ccc(cc1)N(C)C BC206482 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 Cc1ccc(cn1)C(=O)C BC678853 [0,1,0,0,0,0|1,1,1]=4 67 B10R1.13 Cc1ccc(cn1)C(C)O BC681105 [0,1,0,0,0,0|1,1,0]=3 68 B10R1.13 c1cc(ccc1C(=N)N)N BC213772 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 c1cc(ccc1C(=N)N)O BC223815 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 c1cc(ccc1C(=O)N)O BC219028 [0,1,0,0,0,0|1,1,1]=4 71 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [0,1,0,0,0,0|1,1,1]=4 72 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [0,1,0,0,0,0|1,1,1]=4 73 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [0,1,0,0,0,0|1,1,1]=4 74 B10R1.13 c1cc(ccc1F)S(=O)[O-] BC200582 [0,1,0,0,0,0|2,1,0]=4 75 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] BC203717 [0,1,0,0,0,0|2,1,0]=4 76 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,1,0,0,0,0|0,1,1]=3 77 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.15 COC(=O)c1ccncc1 BC205546 [0,1,0,0,0,0|1,1,1]=4 79 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [0,1,0,0,0,0|0,1,1]=3 80 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,1,0,0,0,0|0,1,0]=2 82 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [0,1,0,0,0,0|1,1,1]=4 84 B10R1.15 c1cnccc1C(=O)CBr BC677150 [0,1,0,0,0,0|1,1,1]=4 85 B10R1.28 CC(C)(c1ccccc1)S BC210351 [0,1,0,0,0,0|0,0,0]=1 86 B10R1.28 c1cc(cnc1)C(F)(F)F BC207146 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.28 c1ccc(cc1)C(F)(F)F BC204263 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl BC204660 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.61 B(c1ccccc1C)(O)O BC210677 [0,1,0,0,0,0|2,1,0]=4 90 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [0,1,0,0,0,0|1,1,1]=4 91 B10R1.61 CC(=O)c1ccccc1Br BC213650 [0,1,0,0,0,0|0,1,1]=3 92 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [0,1,0,0,0,0|0,1,1]=3 93 B10R1.61 CC(=O)c1ccccc1F BC227587 [0,1,0,0,0,0|0,1,1]=3 94 B10R1.61 CC(=O)c1cccnc1Cl BC204454 [0,1,0,0,0,0|1,1,1]=4 95 B10R1.61 CC(=O)c1cccnc1N BC200176 [0,1,0,0,0,0|1,1,1]=4 96 B10R1.61 CC(C)c1ccccc1Br BC213522 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.61 CC(C)c1ccccc1N BC222401 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [0,1,0,0,0,0|1,1,1]=4 99 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [0,1,0,0,0,0|1,1,1]=4 100 B10R1.61 Cc1ccccc1C(=O)O BC675262 [0,1,0,0,0,0|1,1,1]=4 101 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [0,1,0,0,0,0|1,1,1]=4 103 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl BC203433 [0,1,0,0,0,0|2,1,0]=4 104 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F BC675797 [0,1,0,0,0,0|2,1,0]=4 105 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S BC206397 [0,1,0,0,0,0|2,1,0]=4 106 B10R1.113 B(c1cccc(c1)C)(O)O BC219834 [0,1,0,0,0,0|2,1,0]=4 107 B10R1.113 B(c1cccc(c1)Cl)(O)O BC205354 [0,1,0,0,0,0|2,1,0]=4 108 B10R1.113 CC(=O)c1cc(cnc1)Br BC200353 [0,1,0,0,0,0|1,1,1]=4 109 B10R1.113 CC(=O)c1cccc(c1)Br BC217580 [0,1,0,0,0,0|0,1,1]=3 110 B10R1.113 CC(=O)c1cccc(n1)Br BC225218 [0,1,0,0,0,0|1,1,1]=4 111 B10R1.113 CC(C)c1cccc(c1)N BC202334 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.113 CC(C)c1cccc(n1)Cl BC222331 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [0,1,0,0,0,0|1,1,1]=4 114 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] BC228014 [0,1,0,0,0,0|2,1,0]=4 115 B10R1.113 c1cc(cc(c1)Cl)C(=O)O BC225403 [0,1,0,0,0,0|1,1,1]=4 116 B10R1.113 c1cc(cc(c1)O)C(=O)O BC676293 [0,1,0,0,0,0|1,1,1]=4 117 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,0,0,1,0,0|0,1,1]=3 118 B8R1.7 CC(C)n1ccnc1 BC222412 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,0,0,0,0,1|0,1,1]=3 120 B10R1.18 CC(C)Nc1ccccc1 BC208321 [0,0,0,0,0,1|1,0,0]=2 121 B10R1.18 c1ccc(cc1)C=C(Br)Br BC600066 [0,0,0,0,0,1|2,0,1]=4 122 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,0,1,0,0,0|1,0,0]=3 123 B7R1.3 Cc1cccnc1 BC228007 [2,0,0,0,0,0|1,0,0]=3 124 B7R1.3 c1cc(cnc1)Cl BC209276 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.3 c1cc(cnc1)I BC225230 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.3 c1cc(cnc1)S BC244412 [2,0,0,0,0,0|1,0,0]=3 127 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [2,0,0,0,0,0|1,1,0]=4 128 B7R1.3 c1ccnc(c1)Cl BC653330 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.3 c1cnc(nc1)S BC227980 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.3 c1cnccc1Br BC204910 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.3 c1cnccc1F BC219199 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.3 c1cnccc1F BC227092 [2,0,0,0,0,0|2,0,0]=4 133 B7R1.3 c1cnccc1I BC206126 [2,0,0,0,0,0|2,0,0]=4 134 B7R1.3 c1cnccc1N BC227053 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.1 C#Cc1ccc(cc1)F BC215301 [1,1,0,0,0,0|0,0,2]=4 136 B9R1.1 C#Cc1ccc(cc1)O BC671095 [1,1,0,0,0,0|0,0,2]=4 137 B9R1.1 C=Cc1ccc(cc1)F BC227580 [1,1,0,0,0,0|0,0,2]=4 138 B9R1.1 CCc1cnc(nc1)Cl BC227195 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.1 CNc1ccc(cc1)N BC220840 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.1 COc1cc[n+](cc1)[O-] BC209280 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.1 COc1ccc(cc1)Br BC676620 [1,1,0,0,0,0|1,0,0]=3 142 B9R1.1 COc1ccc(cc1)N BC206279 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.1 COc1ccc(cn1)F BC208854 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.1 COc1ccc(cn1)I BC228888 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.1 COc1ccc(cn1)N BC204592 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.1 COc1ccc(cn1)O BC678852 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.1 Cc1ccc(cc1)C#C BC213353 [1,1,0,0,0,0|0,0,2]=4 148 B9R1.1 Cc1ccc(cc1)C#N BC676397 [1,1,0,0,0,0|1,0,1]=4 149 B9R1.1 Cc1ccc(cc1)C=O BC211019 [1,1,0,0,0,0|0,1,1]=4 150 B9R1.1 Cc1ccc(cc1)CBr BC200614 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.1 Cc1ccc(cc1)CN BC211128 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.1 Cc1ccc(cc1)NN BC213413 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.1 Cc1ccc(cc1)NN BC216063 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.1 Cc1ccc(cn1)OC BC224186 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.1 c1cc(ccc1C#N)N BC226364 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.1 c1cc(ccc1C=O)Br BC213531 [1,1,0,0,0,0|0,1,1]=4 157 B9R1.1 c1cc(ccc1C=O)N BC204291 [1,1,0,0,0,0|0,1,1]=4 158 B9R1.1 c1cc(ccc1C=O)O BC227835 [1,1,0,0,0,0|0,1,1]=4 159 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [1,1,0,0,0,0|1,0,0]=3 160 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [1,1,0,0,0,0|1,0,0]=3 161 B9R1.1 c1cc(ccc1CN)N BC676433 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.1 c1cc(ccc1CN)O BC210625 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.1 c1cc(ccc1CO)I BC220492 [1,1,0,0,0,0|0,1,0]=3 164 B9R1.1 c1cc(ccc1CO)O BC227836 [1,1,0,0,0,0|0,1,0]=3 165 B9R1.1 c1cc(ccc1NN)Br BC213412 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.1 c1cc(ccc1NN)Cl BC675025 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.1 c1cc(ccc1NN)F BC206790 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.1 c1cc(ncc1Br)CO BC219783 [1,1,0,0,0,0|1,1,0]=4 169 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.1 c1cc(ncc1CO)F BC221862 [1,1,0,0,0,0|1,1,0]=4 171 B9R1.1 c1cc(ncc1CO)O BC228000 [1,1,0,0,0,0|1,1,0]=4 172 B9R1.2 C#Cc1cccc(c1)F BC215302 [1,1,0,0,0,0|0,0,2]=4 173 B9R1.2 C#Cc1cccc(c1)N BC677915 [1,1,0,0,0,0|0,0,2]=4 174 B9R1.2 CCc1cccc(c1)Br BC675848 [1,1,0,0,0,0|0,0,0]=2 175 B9R1.2 CCc1cccc(c1)N BC219618 [1,1,0,0,0,0|0,0,0]=2 176 B9R1.2 COc1cc(ccn1)I BC221863 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.2 COc1cc(cnc1)N BC678830 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.2 COc1cccc(c1)Br BC208526 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.2 COc1cccc(n1)N BC205868 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.2 COc1ccnc(c1)Cl BC201211 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.2 COc1ccnc(c1)N BC225237 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.2 CSc1cccc(c1)I BC210370 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.2 Cc1cccc(c1)C#C BC221826 [1,1,0,0,0,0|0,0,2]=4 184 B9R1.2 Cc1cccc(n1)CO BC225232 [1,1,0,0,0,0|1,1,0]=4 185 B9R1.2 Cc1cccc(n1)OC BC207375 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.2 c1c(cncc1Br)CCl BC200350 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.2 c1c(cncc1Br)CO BC207465 [1,1,0,0,0,0|1,1,0]=4 188 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [1,1,0,0,0,0|0,1,1]=4 189 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [1,1,0,0,0,0|0,1,1]=4 191 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [1,1,0,0,0,0|0,1,1]=4 194 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [1,1,0,0,0,0|1,1,0]=4 196 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [1,1,0,0,0,0|1,1,0]=4 197 B9R1.2 c1cnc(cc1Br)CO BC222259 [1,1,0,0,0,0|1,1,0]=4 198 B9R1.2 c1cnc(cc1CO)Br BC207432 [1,1,0,0,0,0|1,1,0]=4 199 B9R1.2 c1cnc(cc1CO)Cl BC208450 [1,1,0,0,0,0|1,1,0]=4 200 B9R1.2 c1cnc(cc1CO)N BC228974 [1,1,0,0,0,0|1,1,0]=4 201 B9R1.8 c1cc(cnc1)CCN BC226643 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.8 c1ccc(cc1)CC=O BC250050 [1,1,0,0,0,0|0,0,1]=3 203 B9R1.8 c1ccc(cc1)CCBr BC203736 [1,1,0,0,0,0|0,0,0]=2 204 B9R1.8 c1ccc(cc1)CCO BC213746 [1,1,0,0,0,0|0,0,0]=2 205 B9R1.8 c1ccc(cc1)CNN BC652179 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.8 c1ccc(cc1)CNN BC676720 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.8 c1ccnc(c1)CCBr BC216605 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.8 c1cnccc1CCBr BC683652 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.8 c1cnccc1CCO BC201212 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.15 C#Cc1ccccc1Br BC215310 [1,1,0,0,0,0|0,0,2]=4 211 B9R1.15 CC[n+]1ccccc1Br BC202357 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.15 CCc1c(nccn1)C BC210593 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.15 CCc1c(nccn1)Cl BC210275 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.15 CCc1ccccc1Br BC675847 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.15 CNc1ccccc1F BC206749 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.15 COc1c(cccn1)I BC216931 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.15 COc1ccc[nH]c1=O BC228848 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.15 COc1cccnc1Cl BC201214 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.15 Cc1ccccc1C#C BC251006 [1,1,0,0,0,0|0,0,2]=4 220 B9R1.15 Cc1ccccc1C#N BC675264 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.15 c1cc(c(nc1)N)CO BC208411 [1,1,0,0,0,0|1,1,0]=4 222 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [1,1,0,0,0,0|0,1,1]=4 226 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [1,1,0,0,0,0|1,0,0]=3 227 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [1,1,0,0,0,0|1,0,0]=3 228 B9R1.15 c1ccc(c(c1)CN)I BC227344 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [1,1,0,0,0,0|0,1,0]=3 230 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.15 c1cncc(c1CO)Cl BC256219 [1,1,0,0,0,0|1,1,0]=4 232 B9R1.15 c1cncc(c1Cl)CO BC679667 [1,1,0,0,0,0|1,1,0]=4 233 B9R1.15 c1cncc(c1N)CO BC208026 [1,1,0,0,0,0|1,1,0]=4 234 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [0,1,0,0,0,1|0,1,1]=4 235 B11R1.20 CC(=O)Nc1ccc(cc1)O BC204766 [0,1,0,0,0,1|0,1,1]=4 236 B11R1.20 CC(=O)Nc1ccc(cc1)S BC210348 [0,1,0,0,0,1|0,1,1]=4 237 B11R1.20 CC(C)Cc1ccc(cc1)Br BC214997 [0,1,0,0,0,1|1,0,0]=3 238 B11R1.20 c1cc(ccc1N)OC(F)F BC219657 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.36 CC(C(=O)c1ccccc1)Cl BC210300 [0,1,0,0,0,1|1,0,0]=3 240 B11R1.36 CC(C)C(=O)c1ccccc1 BC213596 [0,1,0,0,0,1|1,0,0]=3 241 B11R1.36 CC(C)[C@@H](c1ccccc1)N BC687879 [0,1,0,0,0,1|1,0,0]=3 242 B11R1.40 c1ccc(cc1)OC(=O)CBr BC200214 [0,1,0,0,0,1|0,1,1]=4 243 B11R1.86 CC(=O)Cc1ccccc1Br BC202120 [0,1,0,0,0,1|0,1,1]=4 244 B11R1.509 CC(C)(Cc1ccccc1)O BC677508 [0,1,0,0,0,1|0,1,0]=3 245 B11R1.509 C[N+](C)(C)Cc1ccccc1 BC216106 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.509 c1ccc(cc1)OC(Cl)(Cl)Cl BC221931 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.3 CN(C)c1ccc(cc1)CN BC620182 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.3 CN(C)c1ccc(cc1)OC BC214399 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.3 C[C@H](c1ccc(cc1)OC)N BC222031 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.19 CC(C)(C)c1ccc(cc1)Cl BC215389 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.19 CS(=O)(=O)c1ccc(cc1)N BC213367 [0,2,0,0,0,0|1,1,0]=4 252 B11R1.19 CS(=O)(=O)c1ccc(cc1)O BC214463 [0,2,0,0,0,0|1,1,0]=4 253 B11R1.19 c1cc(ccc1C(Cl)(Cl)Cl)Cl BC200587 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.19 c1cc(ccc1C(F)(F)F)Br BC226458 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.19 c1cc(ccc1C(F)(F)F)Cl BC226813 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.19 c1cc(ccc1C(F)(F)F)N BC226819 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.19 c1cc(ccc1C(F)(F)F)O BC226815 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br BC675515 [0,2,0,0,0,0|0,1,1]=4 259 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl BC200288 [0,2,0,0,0,0|0,1,1]=4 260 B11R1.21 CC(=O)c1ccc(c(c1)Br)F BC210238 [0,2,0,0,0,0|0,1,1]=4 261 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl BC677102 [0,2,0,0,0,0|0,1,1]=4 262 B11R1.21 CC(=O)c1ccc(c(c1)F)Br BC219905 [0,2,0,0,0,0|0,1,1]=4 263 B11R1.21 CC(=O)c1ccc(c(c1)F)F BC201362 [0,2,0,0,0,0|0,1,1]=4 264 B11R1.21 CC(=O)c1ccc(c(c1)F)O BC227598 [0,2,0,0,0,0|0,1,1]=4 265 B11R1.21 CC(=O)c1ccc(c(c1)N)F BC209409 [0,2,0,0,0,0|0,1,1]=4 266 B11R1.21 CC(=O)c1ccc(c(c1)O)O BC220893 [0,2,0,0,0,0|0,1,1]=4 267 B11R1.21 Cc1cc(ccc1Cl)[C@@H](C)N BC688026 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [0,2,0,0,0,0|0,1,0]=3 269 B11R1.22 CCC(=O)c1ccc(cc1)N BC210208 [0,2,0,0,0,0|0,1,1]=4 270 B11R1.22 CCC(=O)c1ccc(cc1)O BC227841 [0,2,0,0,0,0|0,1,1]=4 271 B11R1.22 CNC(=O)c1ccc(cc1)Br BC290335 [0,2,0,0,0,0|0,1,1]=4 272 B11R1.22 COC(=O)c1ccc(cc1)Br BC215377 [0,2,0,0,0,0|0,1,1]=4 273 B11R1.22 COC(=O)c1ccc(cc1)I BC213654 [0,2,0,0,0,0|0,1,1]=4 274 B11R1.22 COC(=O)c1ccc(cc1)[O-] BC209217 [0,2,0,0,0,0|0,1,1]=4 275 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [0,2,0,0,0,0|0,1,1]=4 276 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [0,2,0,0,0,0|0,1,0]=3 277 B11R1.22 c1cc(ccc1C(=O)CBr)N BC652867 [0,2,0,0,0,0|0,1,1]=4 278 B11R1.22 c1cc(ccc1C(=O)CBr)O BC685303 [0,2,0,0,0,0|0,1,1]=4 279 B11R1.22 c1cc(ccc1C(=O)CN)Br BC201169 [0,2,0,0,0,0|0,1,1]=4 280 B11R1.22 c1cc(ccc1C(=O)CN)Br BC253950 [0,2,0,0,0,0|0,1,1]=4 281 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [0,2,0,0,0,0|0,1,1]=4 282 B11R1.22 c1cc(ccc1C(=O)CN)F BC201168 [0,2,0,0,0,0|0,1,1]=4 283 B11R1.22 c1cc(ccc1C(=O)CN)F BC201440 [0,2,0,0,0,0|0,1,1]=4 284 B11R1.22 c1cc(ccc1C(CBr)Br)F BC203750 [0,2,0,0,0,0|1,0,0]=3 285 B11R1.166 CC(=O)c1ccc(cc1Br)Br BC220380 [0,2,0,0,0,0|0,1,1]=4 286 B11R1.166 CC(=O)c1ccc(cc1Br)Cl BC652621 [0,2,0,0,0,0|0,1,1]=4 287 B11R1.166 CC(=O)c1ccc(cc1Br)O BC210243 [0,2,0,0,0,0|0,1,1]=4 288 B11R1.166 CC(=O)c1ccc(cc1Cl)Br BC200637 [0,2,0,0,0,0|0,1,1]=4 289 B11R1.166 CC(=O)c1ccc(cc1Cl)N BC296971 [0,2,0,0,0,0|0,1,1]=4 290 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC209150 [0,2,0,0,0,0|0,1,1]=4 291 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC215805 [0,2,0,0,0,0|0,1,1]=4 292 B11R1.166 CC(=O)c1ccc(cc1F)Br BC658892 [0,2,0,0,0,0|0,1,1]=4 293 B11R1.166 CC(=O)c1ccc(cc1F)Cl BC686320 [0,2,0,0,0,0|0,1,1]=4 294 B11R1.166 CC(=O)c1ccc(cc1F)F BC200226 [0,2,0,0,0,0|0,1,1]=4 295 B11R1.166 CC(=O)c1ccc(cc1F)O BC208072 [0,2,0,0,0,0|0,1,1]=4 296 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,2,0,0,0,0|0,1,1]=4 297 B11R1.12 COC(c1ccccc1)OC BC214177 [0,2,0,0,0,0|0,1,0]=3 298 B11R1.12 c1ccc(cc1)C(C#N)C#N BC677798 [0,2,0,0,0,0|1,0,1]=4 299 B11R1.16 COCC(=O)c1ccccc1 BC644213 [0,2,0,0,0,0|0,1,1]=4 300 B11R1.16 c1ccc(cc1)C(=O)CCBr BC675527 [0,2,0,0,0,0|0,1,1]=4 301 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [0,2,0,0,0,0|0,1,0]=3 302 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [0,2,0,0,0,0|0,1,0]=3 303 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [0,2,0,0,0,0|1,0,0]=3 304 B11R1.23 CCC(=O)c1cccc(c1)Cl BC226916 [0,2,0,0,0,0|0,1,1]=4 305 B11R1.23 CCC(=O)c1cccc(c1)N BC210207 [0,2,0,0,0,0|0,1,1]=4 306 B11R1.23 CCC(=O)c1cccc(c1)O BC210632 [0,2,0,0,0,0|0,1,1]=4 307 B11R1.23 COC(=O)c1cccc(c1)O BC220614 [0,2,0,0,0,0|0,1,1]=4 308 B11R1.23 Cc1cccc(c1)C(=O)OC BC219811 [0,2,0,0,0,0|0,1,1]=4 309 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl BC219638 [0,2,0,0,0,0|0,1,1]=4 310 B11R1.23 c1cc(cc(c1)Cl)C(CN)O BC210180 [0,2,0,0,0,0|0,1,0]=3 311 B11R1.222 c1ccc(c(c1)C(=O)CN)Br BC201182 [0,2,0,0,0,0|0,1,1]=4 312 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl BC201181 [0,2,0,0,0,0|0,1,1]=4 313 B11R1.222 c1ccc(c(c1)C(=O)CN)F BC201180 [0,2,0,0,0,0|0,1,1]=4 314 B11R1.87 c1ccc(c(c1)C(F)(F)F)Br BC207204 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.87 c1ccc(c(c1)C(F)(F)F)O BC207157 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.155 CC(C)(C)c1cccc(c1)Br BC209659 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.155 CC(C)(C)c1cccc(c1)O BC678067 [0,2,0,0,0,0|1,0,0]=3 318 B11R1.155 CC(C)(c1cccc(c1)Br)O BC206378 [0,2,0,0,0,0|0,1,0]=3 319 B11R1.155 c1cc(cc(c1)Br)C(F)(F)F BC675327 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.155 c1cc(cc(c1)N)C(F)(F)F BC226814 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.53 CN(C)c1ccccc1C=O BC689400 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.156 CC(=O)c1c(cccc1Cl)F BC247111 [0,2,0,0,0,0|0,1,1]=4 323 B11R1.159 CC(=O)c1cccc(c1F)Br BC227617 [0,2,0,0,0,0|0,1,1]=4 324 B11R1.159 CC(=O)c1cccc(c1O)N BC216503 [0,2,0,0,0,0|0,1,1]=4 325 B11R1.159 C[C@@H](c1cccc(c1F)F)N BC256901 [0,2,0,0,0,0|1,0,0]=3 326 B11R1.159 C[C@@H](c1cccc(c1F)F)N BC687941 [0,2,0,0,0,0|1,0,0]=3 327 B11R1.159 Cc1cccc(c1N)C(=O)C BC649905 [0,2,0,0,0,0|0,1,1]=4 328 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl BC681076 [0,2,0,0,0,0|0,1,1]=4 329 B11R1.167 CC(=O)c1cc(ccc1Cl)F BC226693 [0,2,0,0,0,0|0,1,1]=4 330 B11R1.167 CC(=O)c1cc(ccc1I)F BC220376 [0,2,0,0,0,0|0,1,1]=4 331 B11R1.167 CC(=O)c1cc(ccc1O)Br BC209997 [0,2,0,0,0,0|0,1,1]=4 332 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C BC687883 [0,2,0,0,0,0|1,0,0]=3 333 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br BC201010 [0,2,0,0,0,0|0,1,1]=4 334 B11R1.74 CC(=O)c1cc(cc(c1)O)O BC201351 [0,2,0,0,0,0|0,1,1]=4 335 B11R1.266 CC(=O)c1cccc(c1)OC BC225925 [0,2,0,0,0,0|0,1,1]=4 336 B11R1.266 C[C@H](c1cccc(c1)OC)N BC205839 [0,2,0,0,0,0|1,0,0]=3 337 B9R2.50 c1ccc2c(c1)CC2 BC658499 [1,0,0,1,0,0|0,0,0]=2 338 B11R2.10 Cc1cc2ccccc2[nH]1 BC200996 [0,0,0,1,0,1|1,0,1]=4 339 B11R2.10 Cc1cc2ccccc2o1 BC600174 [0,0,0,1,0,1|0,1,1]=4 340 B11R2.10 Cc1cc2ccccc2o1 BC600186 [0,0,0,1,0,1|0,1,1]=4 341 B11R2.10 Cc1nc2cccnc2s1 BC600237 [0,0,0,1,0,1|1,0,1]=4 342 B11R2.10 c1ccc2c(c1)CC(=O)C2 BC214987 [0,0,0,1,0,1|0,1,1]=4 343 B11R2.10 c1ccc2c(c1)CC(C2)N BC214992 [0,0,0,1,0,1|1,0,0]=3 344 B11R2.10 c1ccc2c(c1)CC(C2)N BC645558 [0,0,0,1,0,1|1,0,0]=3 345 B11R2.10 c1ccc2c(c1)CC(C2)O BC214988 [0,0,0,1,0,1|0,1,0]=3 346 B11R2.10 c1ccc2c(c1)[nH]c(n2)S BC201300 [0,0,0,1,0,1|1,0,1]=4 347 B11R2.10 c1ccc2c(c1)nc(s2)S BC202804 [0,0,0,1,0,1|1,0,1]=4 348 B11R2.1 CC1=CCc2c1cccc2 BC600789 [0,1,0,1,0,0|1,0,1]=4 349 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [0,1,0,1,0,0|1,0,0]=3 350 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [0,1,0,1,0,0|0,1,1]=4 351 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [0,1,0,1,0,0|1,0,0]=3 352 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [0,1,0,1,0,0|1,0,0]=3 353 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [0,1,0,1,0,0|1,0,0]=3 354 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 BC210059 [0,1,0,1,0,0|1,0,1]=4 355 B11R2.1 c1ccc2c(c1)c(ns2)Cl BC207416 [0,1,0,1,0,0|1,0,1]=4 356 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [0,1,0,1,0,0|1,0,1]=4 357 B11R2.35 c1cc(cc(c1)Cl)[C@@H]2CO2 BC220567 [0,1,0,1,0,0|0,1,0]=3 358 B7R1.1 CCc1cccs1 BC210545 [1,0,0,0,1,0|1,0,0]=3 359 B7R1.1 c1cc([nH]c1)CN BC620340 [1,0,0,0,1,0|2,0,0]=4 360 B7R1.1 c1cscc1CN BC655305 [1,0,0,0,1,0|2,0,0]=4 361 B11R1.91 CC(CCc1ccccc1)N BC653661 [0,0,0,0,0,2|1,0,0]=3