0 B10R1.13 B(c1ccc(cc1)N)(O)O WX650024 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 B(c1ccc(nc1)C)(O)O WX654026 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 CC(=O)c1ccc(nc1)Cl WX626037 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)c1ccc(nn1)Cl WXC01382 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CN(C)c1ccc(cn1)Br WX637239 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CN(C)c1ccc(cn1)N WX606099 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 Cc1ccc(cn1)C(=O)O WX614214 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] WX609936 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 c1cc(ccc1C(=N)N)Br WX684427 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 c1cc(ccc1C(=N)N)Br WX690071 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.1 CCc1ccc(nc1)Cl WX636306 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.1 CNc1ccc(cc1)Br WXC02256 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 COc1ccc(nc1)Cl WX636208 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 Cc1ccc(cc1)NN WX684225 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 Cc1ccc(cn1)CN WX603042 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.1 Cc1ccc(nc1)CN WX609025 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 Cc1ccc(nc1)CO WX640119 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.1 c1cc(ccc1CF)Br WX630205 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.1 c1cc(ncc1Br)C=O WX624044 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 c1cc(ncc1C=O)Cl WX624043 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 c1cc(ncc1Cl)C=O WX624172 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 CC(c1ccccn1)N WX609027 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 CC(c1ccccn1)O WX642039 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 CC(c1cccnc1)N WX609031 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 CC(c1cccnc1)O WX642141 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 CC(c1ccncc1)N WX609038 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 CC(c1ccncc1)O WX642142 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 c1cnccc1C(=N)N WX619915 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.3 B(c1ccc(cc1)CBr)(O)O WX650074 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.3 CCc1ccc(cn1)C(=O)O WXC00284 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.3 CN(C)c1ccc(cc1)C=O WXC03610 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.3 C[C@H](c1ccc(cc1)C#N)N WX603055 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.3 c1cc(ccc1CBr)C(F)F WXFC0053 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.3 c1cc(ccc1CN)C(F)F WXFC0052 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.19 CS(=N)(=O)c1ccc(cc1)Br WXC00640 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.19 CS(=O)(=O)c1ccc(cc1)F WX682903 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WX604383 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WX604516 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WXC00719 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WXC00721 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.21 B(c1ccc(c(c1)C)C)(O)O WX650041 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N WX603189 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.21 c1cc(c(cc1C(=O)O)O)I WX612079 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.22 CNC(=O)c1ccc(cc1)N WX609521 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.22 COC(=O)c1ccc(cn1)N WX609344 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.22 COC(=O)c1ccc(nc1)Cl WXC00297 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.22 Cc1ccc(cc1)C(=S)NN WXC00707 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.22 Cc1ccc(cc1)\C(=N/O)\N WX690131 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.22 Cc1ccc(cn1)C(=O)OC WX618268 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.22 Cc1ccc(nc1)C(=O)OC WX618024 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.22 Cc1cnc(cn1)C(=O)OC WX618477 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.22 c1cc(ccc1C(=S)NN)Cl WXC00711 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.22 c1cc(ccc1C(=S)NN)F WXC00709 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.22 c1cc(ccc1C(CN)O)Br WX600145 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.22 c1cc(ccc1C(CO)N)F WX600173 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.22 c1cc(ccc1\C(=N\O)\N)O WX690142 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N WX632029 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 CC(=O)c1ccc(s1)Cl WXC03434 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.35 Cc1cc(c[nH]1)C(=O)O WX613080 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.35 Cc1cc(no1)C(=O)C WX626024 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.35 Cc1cc(sc1)C(=O)O WX614259 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.35 Cc1ccc(o1)C(=O)O WX614194 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.35 Cc1ccc(s1)C(=O)O WX614260 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.35 Cn1ccc(c1)C(=O)O WX614122 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.20 CC(=O)Oc1ccc(cc1)O WX645067 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.20 Cc1ccc(nc1)OC(C)C WXC04147 [0,0,0,0,0,1|1,0,2]=4 73 B8R1.2 C=Cc1cccnc1 WX685205 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 CNc1cccnc1 WX609454 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.3 Cc1ccc(cc1)O WX645079 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.3 Cc1ccc(cn1)N WX609427 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.3 Cc1ccc(cn1)O WX649092 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.3 Cc1ccc(nc1)Br WX637311 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.3 Cc1ccc(nc1)O WX649096 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.1 c1cc(ccc1\C=N\O)Cl WX632026 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.3 COc1ccc(cn1)C=O WX624042 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.3 c1cc(ccc1CBr)C=O WX622025 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.3 c1cc(ccc1CO)C=O WX640141 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.25 CNc1ccc(cc1Br)F WX633219 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.25 COc1ccc(cc1O)O WX645051 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.25 Cc1ccc(c(c1)F)C#N WX636059 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.25 c1cc(c(cc1O)Br)C=O WX622017 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.176 Cc1ccc(cc1C)CN WX603058 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.176 Cc1ccc(cc1C)CN WX603165 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.176 c1cc(c(cc1C=O)F)O WX624053 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.15 c1ccc(cc1)C(=S)NN WXC00705 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.15 c1ccc(cc1)\C(=N\O)\N WX690132 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.15 c1cnccc1C(=O)CBr WX631022 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.28 CC(C)(c1ccccc1)N WX600125 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.61 c1ccc(c(c1)C(=N)N)Cl WX619951 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 c1ccc(c(c1)C(=N)N)F WX619904 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 CC(=O)c1cc(ccn1)Br WXC02208 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 CC(=O)c1cc(ccn1)Cl WX636192 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 CC(=O)c1cc(cnc1)Br WX637241 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.113 CC(=O)c1cccc(n1)Br WX624141 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.113 CC(=O)c1ccnc(c1)Cl WX636120 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.113 c1cc(cc(c1)Cl)C(=S)N WX619930 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.4 COc1ccc(cc1)CC(=N)N WX619911 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.19 Cc1ccc(cc1N)OC(C)C WXC01431 [0,1,0,0,0,1|0,0,2]=4 118 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXC02742 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.49 c1cc(ccc1NC(=O)CCl)Br WXC00946 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.233 CC(=O)Nc1ccc(cc1I)Br WX634026 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl WXC00307 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C WXC01838 [0,1,0,0,0,1|1,0,0]=3 123 B12R1.5 CCC(=O)c1ccc(nc1)OC WXC02019 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.5 COc1ccc(cc1)C(=S)NN WXC00710 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.5 c1cc(ccc1C#N)C(=O)CBr WXC02924 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.6 CS(=O)(=O)c1ccc(cc1)CBr WX682904 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC WX626091 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.48 c1cc(c(cc1C(=O)O)F)CO WX612104 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.113 COCc1ccc(cc1)C(=O)O WX610232 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.113 c1cc(ccc1CCBr)C(=O)O WX612006 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC WX690048 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.367 COC(=O)c1ccc(c(c1)Br)I WX633161 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.367 COC(=O)c1ccc(c(c1)Cl)I WX634027 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.367 COC(=O)c1ccc(c(c1)F)Br WX633103 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.367 COC(=O)c1ccc(c(c1)F)N WXC01815 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.367 COC(=O)c1ccc(c(c1)F)O WXC02618 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl WX602014 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.367 COC(=O)c1ccc(c(c1)N)F WX602196 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.367 Cc1ccc(cc1C)\C(=N\O)\N WX690170 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.367 Cc1ccc(cc1Cl)\C(=N\O)\N WX690196 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.893 Cc1ccc(c(c1I)F)C(=O)O WXC02082 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.1703 CCC(=O)c1ccc(cc1F)Br WX633145 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.1703 COC(=O)c1ccc(cc1Br)Br WX633104 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.1703 COC(=O)c1ccc(cc1Cl)N WX602016 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.1703 COC(=O)c1ccc(cc1F)Br WX633100 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.1703 COC(=O)c1ccc(cc1N)F WXC00605 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.1703 COC(=O)c1ccc(cc1O)Cl WX618314 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br WX633105 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.1703 Cc1cc(ccc1C(=O)OC)O WXC01025 [0,2,0,0,0,0|2,0,0]=4 150 B12R2.606 Cc1[nH]c2ccc(cc2n1)Br WX637281 [0,0,0,1,0,1|2,0,0]=4 151 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)N WX609323 [0,0,0,1,0,1|2,0,0]=4 152 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N WX609210 [0,0,0,1,0,1|2,0,0]=4 153 B12R2.606 Cc1ccc2c(c1)nc(o2)S WX687603 [0,0,0,1,0,1|2,0,0]=4 154 B12R2.606 Cc1ccc2c(c1)nc(s2)Br WX637285 [0,0,0,1,0,1|2,0,0]=4 155 B12R2.606 Cc1ccc2c(c1)nc(s2)N WX609451 [0,0,0,1,0,1|2,0,0]=4 156 B12R2.606 Cc1ccc2c(c1)sc(n2)Br WX637286 [0,0,0,1,0,1|2,0,0]=4 157 B12R2.606 Cc1ccc2c(c1)sc(n2)Cl WX636159 [0,0,0,1,0,1|2,0,0]=4 158 B12R2.606 Cc1ccc2c(c1)sc(n2)N WX609453 [0,0,0,1,0,1|2,0,0]=4 159 B12R2.606 Cc1nc2cc(ccc2o1)N WXC04381 [0,0,0,1,0,1|2,0,0]=4 160 B12R2.606 Cc1nc2ccc(cc2s1)Br WX637353 [0,0,0,1,0,1|2,0,0]=4 161 B12R2.606 Cc1nc2ccc(cc2s1)N WX609414 [0,0,0,1,0,1|2,0,0]=4 162 B12R2.606 Cn1cc2cc(ccc2n1)Br WX637302 [0,0,0,1,0,1|2,0,0]=4 163 B12R2.606 Cn1cc2cc(ccc2n1)N WX609441 [0,0,0,1,0,1|2,0,0]=4 164 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 WX633120 [0,0,0,1,0,1|2,0,0]=4 165 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 WX633065 [0,0,0,1,0,1|2,0,0]=4 166 B12R2.606 c1cc2c(cc1F)CC(=O)N2 WX619027 [0,0,0,1,0,1|2,0,0]=4 167 B12R2.606 c1cc2c(cc1O)CC(=O)N2 WX649011 [0,0,0,1,0,1|2,0,0]=4 168 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br WX637351 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.612 Cc1c2ccc(cc2[nH]n1)O WX645011 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.612 Cc1ccc2c(c1)CCC2O WX642032 [0,1,0,1,0,0|1,0,1]=4 171 B12R2.612 Cc1ccc2c(c1)[nH]nc2I WX638053 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.612 Cc1ccc2c(c[nH]c2n1)Br WX637306 [0,1,0,1,0,0|2,0,0]=4 173 B12R2.612 Cc1ccn2c(c1)ncc2Br WXC04388 [0,1,0,1,0,0|2,0,0]=4 174 B12R2.612 Cn1c2ccc(cc2cn1)Br WX637303 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.612 Cn1c2ccc(cc2cn1)N WX609373 [0,1,0,1,0,0|2,0,0]=4 176 B12R2.612 Cn1cnc2c1ccc(c2)Br WX637114 [0,1,0,1,0,0|2,0,0]=4 177 B12R2.612 c1cc2c(cc1Br)CNC2=O WX633084 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.1 Cc1cc(sc1)C=O WX624184 [1,0,0,0,1,0|2,0,0]=4 179 B8R1.1 Cc1ccc([nH]1)C=O WX624113 [1,0,0,0,1,0|2,0,0]=4 180 B8R1.1 Cc1ccc(s1)C=O WX624186 [1,0,0,0,1,0|2,0,0]=4 181 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [1,0,0,0,0,1|2,0,0]=4 182 B10R1.18 c1ccc(cc1)NC(=N)N WX684412 [1,0,0,0,0,1|2,0,0]=4 183 B12R1.21 Cc1ccc(cc1)SCC(=O)O WX610177 [0,0,0,0,0,2|2,0,0]=4