0 B7R1.3 C1COC(=O)C=C1 WX685450 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 c1c(cncn1)N WX609156 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 c1c(cncn1)O WX645041 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 c1cc(cnc1)N WX609448 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 c1cc(cnc1)O WX649089 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 c1cc(nnc1)Br WX637045 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 c1cc(nnc1)Cl WX636063 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 c1cc(nnc1)N WX609159 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 c1ccc(cc1)O WX645078 [0,0,0,0,0,0|0,0,0]=0 9 B7R1.3 c1ccnc(c1)O WX649094 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 c1cnc(cn1)Cl WX636237 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 c1cnc(cn1)N WX609446 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 c1cnc(nc1)Cl WX636235 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 c1cnc(nc1)O WX649101 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 c1cnccc1O WX649100 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 c1cncnc1Cl WX636060 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 c1cncnc1Cl WX636232 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 c1cncnc1N WX609259 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 c1cncnc1O WX649099 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 C=Cc1cccnc1 WX685205 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.2 CNc1cccnc1 WX609454 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.2 CNc1ccncn1 WX606069 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.2 CNc1cnccn1 WX606056 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 c1cc(cnc1)CO WX640285 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.2 c1ccnc(c1)CO WX640282 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.2 c1ccnc(c1)NN WXC04165 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 c1cnc(cn1)C=O WX624187 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.2 c1cnc(cn1)CN WX603036 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.2 c1cnc(cn1)CO WX640335 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.2 c1cnc(nc1)CCl WX633047 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 c1cnc(nc1)CN WX603024 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 c1cnc(nc1)CN WX609048 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.2 c1cnc(nc1)CO WX640112 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.2 c1cnc(nc1)CO WXC04758 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 c1cnc(nc1)NN WX684208 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 c1cnc(nc1)NN WXC03177 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.2 c1cnccc1CO WX640289 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 c1cnccc1NN WX684229 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 c1cncnc1CO WX640254 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.3 Cc1ccc(cc1)O WX645079 [0,1,0,0,0,0|0,0,0]=1 40 B8R1.3 Cc1ccc(cn1)N WX609427 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.3 Cc1ccc(cn1)O WX649092 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.3 Cc1ccc(nc1)Br WX637311 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.3 Cc1ccc(nc1)O WX649096 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.3 Cc1cnc(cn1)Cl WX636238 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.3 Cc1cnc(cn1)N WX606073 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.3 Cc1cnc(cn1)N WX609221 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.3 Cc1cnc(nc1)O WX645028 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.3 Cc1ncc(cn1)Br WX637043 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.3 c1c(cnc(n1)Cl)Cl WX636236 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.3 c1c(cnc(n1)Cl)N WX609392 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.3 c1c(cnc(n1)Cl)O WX636062 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 c1c(ncc(n1)Br)O WX645031 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.3 c1cc(ncc1F)F WX639016 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.3 c1cc(nnc1Cl)I WX638010 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.3 c1cc(nnc1N)Cl WX609406 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.3 c1cc(nnc1N)I WXC01553 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.4 Cc1cc(ccn1)O WX645022 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.4 Cc1cc(cnc1)N WX609450 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.4 Cc1cc(cnc1)O WX649090 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.4 Cc1cc(ncn1)Cl WX636233 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.4 Cc1cc(ncn1)N WX609382 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.4 Cc1cc(ncn1)O WX645020 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 Cc1cccc(c1)O WX645080 [0,1,0,0,0,0|0,0,0]=1 64 B8R1.4 Cc1cccc(n1)Br WX637312 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.4 Cc1cccc(n1)O WX649098 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.4 Cc1ccnc(c1)Cl WX636229 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.4 Cc1ccnc(c1)O WX649095 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.4 Cc1ccnc(n1)Cl WX636093 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.4 Cc1ccnc(n1)O WX619017 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.4 Cc1cncc(n1)Cl WX636239 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.4 Cc1cncc(n1)N WX609148 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.4 Cc1nccc(n1)Cl WX636234 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.4 Cc1nccc(n1)N WX606010 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.4 Cc1nccc(n1)O WX645021 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.4 c1c(cn[nH]c1=O)Cl WX636243 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.4 c1c(cncc1F)O WX649045 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.4 c1c(cnnc1Cl)N WX609431 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.4 c1c(nc(cn1)Br)Cl WX637068 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.4 c1cc(=O)[nH]c(c1)Br WX637131 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.4 c1cc(c[n+](c1)[O-])Br WX637015 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [0,1,0,0,0,0|1,0,0]=2 82 B8R1.4 c1cnc(cc1Cl)O WX636064 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.4 c1cnc(cc1F)N WX609167 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.4 c1cnc(cc1I)F WX638043 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.5 Cc1c(cccn1)N WX609161 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.5 Cc1c(cccn1)O WX649093 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.5 Cc1ccccc1O WX645081 [0,1,0,0,0,0|0,0,0]=1 88 B8R1.5 Cc1cccnc1Cl WX636230 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.5 Cc1cccnc1O WX649097 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.5 Cc1ccncc1N WX609452 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.5 Cc1ccncc1O WX649091 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.5 Cc1cnccc1Br WX637039 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.5 Cc1cnccc1Cl WX609160 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.5 Cc1cnccc1O WX645018 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.5 Cc1cncnc1Cl WX636049 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.5 Cc1cncnc1Cl WX636091 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.5 Cc1cncnc1O WX649072 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.5 c1c(c(ncn1)N)Cl WX609456 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.5 c1cc(c(nc1)Br)F WX637049 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.5 c1cc(c(nc1)Cl)I WX636168 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.5 c1cc(c(nc1)F)I WX634015 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.5 c1cc(c(nc1)N)Cl WX609235 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.5 c1cc(c(nc1)N)I WX638018 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.5 c1cnc(c(n1)N)Cl WX609303 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.5 c1cncc(c1Br)F WX637048 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.5 c1cncc(c1Cl)I WX638003 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.5 c1cncc(c1I)N WX609215 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.5 c1cncc(c1N)I WX609341 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.5 c1cncc(c1N)O WX609099 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.5 c1cncc(c1O)N WX609105 [0,1,0,0,0,0|1,0,0]=2 111 B6R1.2 c1c([nH]cn1)F WX607151 [0,0,0,0,1,0|3,0,0]=4 112 B6R1.2 c1c(cn[nH]1)Br WX637010 [0,0,0,0,1,0|3,0,0]=4 113 B6R1.2 c1c(cn[nH]1)F WX639012 [0,0,0,0,1,0|3,0,0]=4 114 B6R1.2 c1c(cn[nH]1)N WX609205 [0,0,0,0,1,0|3,0,0]=4 115 B6R1.2 c1c(nc[nH]1)F WXC02154 [0,0,0,0,1,0|3,0,0]=4 116 B6R1.2 c1c(nc[nH]1)I WX638027 [0,0,0,0,1,0|3,0,0]=4 117 B6R1.2 c1c(scn1)Br WX637038 [0,0,0,0,1,0|3,0,0]=4 118 B6R1.2 c1c[nH]nc1Br WX637314 [0,0,0,0,1,0|3,0,0]=4 119 B6R1.2 c1c[nH]nc1I WX638030 [0,0,0,0,1,0|3,0,0]=4 120 B6R1.2 c1c[nH]nc1N WX609466 [0,0,0,0,1,0|3,0,0]=4 121 B6R1.2 c1cnc([nH]1)Br WX637273 [0,0,0,0,1,0|3,0,0]=4 122 B6R1.2 c1cnc([nH]1)Cl WX636123 [0,0,0,0,1,0|3,0,0]=4 123 B6R1.2 c1cnc([nH]1)I WX638033 [0,0,0,0,1,0|3,0,0]=4 124 B6R1.2 c1coc(n1)N WX609237 [0,0,0,0,1,0|3,0,0]=4 125 B6R1.2 c1conc1N WX609463 [0,0,0,0,1,0|3,0,0]=4 126 B6R1.2 c1csc(n1)Br WX637316 [0,0,0,0,1,0|3,0,0]=4 127 B6R1.2 c1csc(n1)Cl WX636067 [0,0,0,0,1,0|3,0,0]=4 128 B7R1.1 c1c([nH]cn1)CO WX640062 [0,1,0,0,1,0|2,0,0]=4 129 B7R1.1 c1c(cn[nH]1)CO WX640336 [0,1,0,0,1,0|2,0,0]=4 130 B7R1.1 c1c(nc[nH]1)CO WX640292 [0,1,0,0,1,0|2,0,0]=4 131 B7R1.1 c1c(nco1)CO WX640327 [0,1,0,0,1,0|2,0,0]=4 132 B7R1.1 c1c(ocn1)CO WX640330 [0,1,0,0,1,0|2,0,0]=4 133 B7R1.1 c1cc(sc1)CO WX640288 [0,1,0,0,1,0|1,0,0]=3 134 B7R1.1 c1cnc([nH]1)CO WXC03352 [0,1,0,0,1,0|2,0,0]=4 135 B7R1.1 c1csc(n1)CO WX640084 [0,1,0,0,1,0|2,0,0]=4 136 B9R1.1 CCc1ccc(nc1)Cl WX636306 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.1 CNc1ccc(cc1)Br WXC02256 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.1 COc1ccc(nc1)Cl WX636208 [0,2,0,0,0,0|1,0,0]=3 139 B9R1.1 COc1ccc(nn1)Cl WXC00277 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.1 COc1ccc(nn1)N WX609426 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.1 COc1ncc(cn1)Br WX637017 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.1 COc1ncc(cn1)I WXC02564 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.1 Cc1ccc(cc1)NN WX684225 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.1 Cc1ccc(cn1)CN WX603042 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.1 Cc1ccc(nc1)CN WX609025 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.1 Cc1ccc(nc1)CO WX640119 [0,2,0,0,0,0|1,0,0]=3 147 B9R1.1 Cc1cnc(nc1)CO WX640115 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.1 c1c(cnc(n1)CF)O WX649079 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.1 c1c(cnc(n1)CO)O WX640204 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.1 c1cc(ccc1CF)Br WX630205 [0,2,0,0,0,0|1,0,0]=3 151 B9R1.1 c1cc(ncc1Br)C=O WX624044 [0,2,0,0,0,0|1,0,1]=4 152 B9R1.1 c1cc(ncc1Br)CN WX603129 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.1 c1cc(ncc1Br)NN WX684207 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.1 c1cc(ncc1C=O)Cl WX624043 [0,2,0,0,0,0|1,0,1]=4 155 B9R1.1 c1cc(ncc1CO)Cl WX640287 [0,2,0,0,0,0|1,0,0]=3 156 B9R1.1 c1cc(ncc1Cl)C=O WX624172 [0,2,0,0,0,0|1,0,1]=4 157 B9R1.1 c1cc(ncc1N)CN WXC02330 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.1 c1cc(ncc1O)C#N WX683517 [0,2,0,0,0,0|1,0,0]=3 159 B9R1.2 C#Cc1cc(ccn1)N WX609329 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.2 CCc1nccc(n1)O WXC04103 [0,2,0,0,0,0|2,0,0]=4 161 B9R1.2 COc1cc(ccn1)Br WX637041 [0,2,0,0,0,0|1,0,0]=3 162 B9R1.2 COc1cc(ccn1)Cl WX636220 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.2 COc1cc(ccn1)O WX645099 [0,2,0,0,0,0|1,0,0]=3 164 B9R1.2 COc1cc(ncn1)Cl WX636065 [0,2,0,0,0,0|2,0,0]=4 165 B9R1.2 COc1cccc(n1)I WXC00054 [0,2,0,0,0,0|1,0,0]=3 166 B9R1.2 COc1ccnc(c1)N WX609515 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.2 COc1ccnc(n1)N WXC01071 [0,2,0,0,0,0|2,0,0]=4 168 B9R1.2 COc1nccc(n1)N WX609476 [0,2,0,0,0,0|2,0,0]=4 169 B9R1.2 CSc1cc(cnc1)Br WX637159 [0,2,0,0,0,0|1,1,0]=4 170 B9R1.2 Cc1cc(ccn1)C#N WX683552 [0,2,0,0,0,0|2,0,0]=4 171 B9R1.2 Cc1cc(ccn1)C=O WX624158 [0,2,0,0,0,0|1,0,1]=4 172 B9R1.2 Cc1cc(ccn1)CN WX609039 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.2 Cc1cc(cnc1)C#N WX683559 [0,2,0,0,0,0|2,0,0]=4 174 B9R1.2 Cc1cc(cnc1)CN WX603037 [0,2,0,0,0,0|2,0,0]=4 175 B9R1.2 Cc1cc(cnc1)CN WX603115 [0,2,0,0,0,0|2,0,0]=4 176 B9R1.2 Cc1cc(cnc1)CO WX640286 [0,2,0,0,0,0|1,0,0]=3 177 B9R1.2 Cc1cccc(n1)C=O WX624173 [0,2,0,0,0,0|1,0,1]=4 178 B9R1.2 Cc1cccc(n1)CCl WX630176 [0,2,0,0,0,0|2,0,0]=4 179 B9R1.2 Cc1cccc(n1)CN WX609028 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.2 Cc1cccc(n1)NN WXC01942 [0,2,0,0,0,0|2,0,0]=4 181 B9R1.2 Cc1ccnc(c1)C#N WX683538 [0,2,0,0,0,0|2,0,0]=4 182 B9R1.2 Cc1ccnc(c1)C=O WX624021 [0,2,0,0,0,0|1,0,1]=4 183 B9R1.2 Cc1ccnc(c1)CN WX603045 [0,2,0,0,0,0|2,0,0]=4 184 B9R1.2 Cc1ccnc(n1)CO WX640137 [0,2,0,0,0,0|2,0,0]=4 185 B9R1.2 c1c(cncc1Br)C#N WX637012 [0,2,0,0,0,0|2,0,0]=4 186 B9R1.2 c1c(cncc1Br)CO WX640147 [0,2,0,0,0,0|1,0,0]=3 187 B9R1.2 c1c(cncc1Cl)C=O WX624175 [0,2,0,0,0,0|1,0,1]=4 188 B9R1.2 c1c(cncc1Cl)CO WXC01376 [0,2,0,0,0,0|1,0,0]=3 189 B9R1.2 c1c(nc(cn1)Cl)CO WX636325 [0,2,0,0,0,0|2,0,0]=4 190 B9R1.2 c1cc(c[n+](c1)[O-])CN WXC04237 [0,2,0,0,0,0|1,0,1]=4 191 B9R1.2 c1cc(nc(c1)Br)C#N WX637370 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.2 c1cc(nc(c1)Br)CBr WX630170 [0,2,0,0,0,0|2,0,0]=4 193 B9R1.2 c1cc(nc(c1)Cl)C#N WX636061 [0,2,0,0,0,0|2,0,0]=4 194 B9R1.2 c1cnc(cc1Br)C#N WX637083 [0,2,0,0,0,0|2,0,0]=4 195 B9R1.2 c1cnc(cc1C#N)N WX602152 [0,2,0,0,0,0|2,0,0]=4 196 B9R1.2 c1cnc(cc1C#N)S WX687604 [0,2,0,0,0,0|1,1,0]=4 197 B9R1.2 c1cnc(cc1C=O)O WX624062 [0,2,0,0,0,0|1,0,0]=3 198 B9R1.2 c1cnc(cc1CBr)N WXC01190 [0,2,0,0,0,0|2,0,0]=4 199 B9R1.2 c1cnc(cc1CN)Cl WX603074 [0,2,0,0,0,0|2,0,0]=4 200 B9R1.2 c1cnc(cc1CO)Cl WX640039 [0,2,0,0,0,0|1,0,0]=3 201 B9R1.2 c1cnc(cc1Cl)CN WX603072 [0,2,0,0,0,0|2,0,0]=4 202 B9R1.2 c1cnc(cc1Cl)CO WX640283 [0,2,0,0,0,0|1,0,0]=3 203 B9R1.2 c1cnc(cc1I)NN WX684201 [0,2,0,0,0,0|2,0,0]=4 204 B9R1.2 c1cnc(cc1NN)Cl WX684211 [0,2,0,0,0,0|2,0,0]=4 205 B9R1.6 B(c1cccnc1)(O)O WX654050 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.6 B(c1ccncc1)(O)O WX654049 [0,2,0,0,0,0|1,0,0]=3 207 B9R1.6 B(c1cncnc1)(O)O WX654015 [0,2,0,0,0,0|2,0,0]=4 208 B9R1.6 CC(c1ccccn1)N WX609027 [0,2,0,0,0,0|2,0,0]=4 209 B9R1.6 CC(c1ccccn1)O WX642039 [0,2,0,0,0,0|1,0,0]=3 210 B9R1.6 CC(c1cccnc1)N WX609031 [0,2,0,0,0,0|2,0,0]=4 211 B9R1.6 CC(c1cccnc1)O WX642141 [0,2,0,0,0,0|1,0,0]=3 212 B9R1.6 CC(c1ccncc1)N WX609038 [0,2,0,0,0,0|2,0,0]=4 213 B9R1.6 CC(c1ccncc1)O WX642142 [0,2,0,0,0,0|1,0,0]=3 214 B9R1.6 CC(c1ncccn1)O WX642042 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.6 c1c(cncn1)C(=O)O WX614058 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.6 c1cc(cnc1)[N+](=O)[O-] WXC00124 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.6 c1cnc(nc1)C(=O)O WX614147 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.6 c1cnccc1C(=N)N WX619915 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.6 c1cncnc1C(=O)O WX614254 [0,2,0,0,0,0|2,0,0]=4 221 B9R1.8 CNCc1ccccn1 WX600188 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.8 CNCc1cccnc1 WX609032 [0,2,0,0,0,0|2,0,0]=4 223 B9R1.8 CNCc1ccncc1 WX603083 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.8 c1cc(cnc1)CC#N WX683086 [0,2,0,0,0,0|2,0,0]=4 225 B9R1.8 c1cc(cnc1)CNN WX684003 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.8 c1ccnc(c1)CCN WX600199 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.15 C#Cc1ccccc1F WX685202 [0,2,0,0,0,0|1,0,0]=3 228 B9R1.15 C#Cc1cccnc1N WX685203 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.15 CCc1c(cccn1)O WX649107 [0,2,0,0,0,0|1,0,0]=3 230 B9R1.15 CCc1cccnc1Cl WX636307 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.15 CNc1c(cccn1)N WX609203 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.15 CNc1c(cccn1)N WX609509 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.15 COc1c(cccn1)Br WX637046 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.15 COc1c(nccn1)Cl WX636117 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.15 COc1ccncc1Br WX637275 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.15 Cc1c(cccn1)CN WX603047 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.15 Cc1c(cccn1)CO WX640263 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.15 Cc1cccnc1C=O WX624058 [0,2,0,0,0,0|1,0,1]=4 239 B9R1.15 Cc1cccnc1CN WX609026 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.15 Cc1cccnc1CO WX640138 [0,2,0,0,0,0|1,0,0]=3 241 B9R1.15 Cc1cnccc1C#N WX683503 [0,2,0,0,0,0|2,0,0]=4 242 B9R1.15 Cc1cnccc1CN WX609037 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.15 Cc1cnccc1CO WX640116 [0,2,0,0,0,0|1,0,0]=3 244 B9R1.15 c1cc(c(=O)[nH]c1)C#N WX683511 [0,2,0,0,0,0|1,0,1]=4 245 B9R1.15 c1cc(c(nc1)Br)CO WXC02240 [0,2,0,0,0,0|1,0,0]=3 246 B9R1.15 c1cc(c(nc1)C#N)Br WX637042 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.15 c1cc(c(nc1)CN)F WXFC0141 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.15 c1cc(c(nc1)Cl)C=O WX624177 [0,2,0,0,0,0|1,0,1]=4 249 B9R1.15 c1cc(c(nc1)Cl)CCl WXC03068 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.15 c1cc(c(nc1)F)CBr WX630218 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.15 c1cc(c(nc1)N)C#N WX609343 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.15 c1cc(c(nc1)O)C#N WX683506 [0,2,0,0,0,0|1,0,0]=3 253 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [0,2,0,0,0,0|0,0,0]=2 254 B9R1.15 c1ccc(c(c1)CO)I WX640329 [0,2,0,0,0,0|0,0,0]=2 255 B9R1.15 c1cncc(c1Br)CO WX640177 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.15 c1cncc(c1C#N)Br WX637256 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.15 c1cncc(c1C#N)Cl WX683516 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.15 c1cncc(c1CCl)F WX630263 [0,2,0,0,0,0|2,0,0]=4 259 B9R1.15 c1cncc(c1CO)Br WX637213 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.15 c1cncc(c1CO)F WX640299 [0,2,0,0,0,0|1,0,0]=3 261 B9R1.15 c1cncc(c1Cl)C=O WX624176 [0,2,0,0,0,0|1,0,1]=4 262 B9R1.15 c1cncc(c1Cl)CN WX603073 [0,2,0,0,0,0|2,0,0]=4 263 B9R1.15 c1cncc(c1Cl)CO WX640034 [0,2,0,0,0,0|1,0,0]=3 264 B9R1.15 c1cncc(c1N)C=O WX624056 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.15 c1cncc(c1N)C=O WXC03252 [0,2,0,0,0,0|1,0,1]=4 266 B9R1.69 Cc1c(cc(cn1)Br)N WX609484 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.69 Cc1c(ccc(n1)Cl)Br WX637052 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.69 Cc1c(ccc(n1)N)Br WX637051 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.69 Cc1c(cnc(n1)C)O WX649102 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.69 Cc1cc(c(nc1)F)I WX638020 [0,2,0,0,0,0|2,0,0]=4 271 B9R1.69 Cc1cc(c(nc1)I)C WX638014 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.69 Cc1cc(cnc1N)O WX609496 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.69 Cc1cc(ncc1Br)Cl WX637053 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.69 Cc1cc(ncc1Br)N WX637054 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.69 Cc1cc(ncc1N)Br WXC01642 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [0,2,0,0,0,0|1,0,0]=3 277 B9R1.69 Cc1ccc(cc1Br)O WX633051 [0,2,0,0,0,0|0,0,0]=2 278 B9R1.69 Cc1cnc(cc1Br)N WX609326 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.69 Cc1cnc(cc1I)F WX638021 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.69 Cc1cnc(cc1I)N WX638022 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.69 Cc1ncc(c(n1)O)F WX619060 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.69 Cn1cc(ccc1=O)Br WX637374 [0,2,0,0,0,0|1,0,1]=4 283 B9R1.69 c1c(c(cnc1Cl)Cl)I WXC03706 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.69 c1c(c(cnc1Cl)I)F WXC02067 [0,2,0,0,0,0|2,0,0]=4 285 B9R1.69 c1c(c(cnc1Cl)I)N WX609125 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.69 c1c(c(cnc1Cl)O)I WXC03698 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.69 c1c(c(nc(n1)N)O)F WXFS0420 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.69 c1c(cnc(c1Br)F)N WX609473 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.69 c1c(cnc(c1Br)O)Br WX637354 [0,2,0,0,0,0|1,0,0]=3 290 B9R1.69 c1c(cnc(c1F)Cl)N WXC03109 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.69 c1c(cnc(c1I)Cl)Br WXC02307 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.69 c1c(cnc(c1I)N)Br WXC00998 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.69 c1c(cnc(c1I)O)Br WXC02306 [0,2,0,0,0,0|1,0,0]=3 294 B9R1.69 c1c(cnc(c1N)Br)Br WX637367 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.69 c1c(cnc(c1N)N)F WXC03337 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.69 c1c(cnc(c1O)N)Br WX609122 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.69 c1c(nc(c(n1)O)Br)Br WX637362 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.69 c1cc(c(cc1Br)N)I WX602197 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [0,2,0,0,0,0|0,0,0]=2 300 B9R1.69 c1cc(c(cc1I)F)N WXC01916 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.69 c1cc(c(cc1O)Br)F WX645040 [0,2,0,0,0,0|0,0,0]=2 302 B9R1.69 c1cc(c(cc1O)Cl)Br WX645074 [0,2,0,0,0,0|0,0,0]=2 303 B9R1.69 c1cc(c(cc1O)O)N WX602111 [0,2,0,0,0,0|0,0,0]=2 304 B9R1.69 c1cc(nc(c1Br)N)N WX609104 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.69 c1cc(nc(c1I)F)F WXC00406 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.69 c1cc(nc(c1I)N)N WX609118 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.69 c1cc(nc(c1N)Br)Cl WXC03009 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.69 c1cc(nc(c1N)Cl)Br WXC00315 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.69 c1cc(nc(c1O)Cl)I WX645091 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.69 c1cc(nc(c1O)N)Br WX609218 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.3 Cc1c(c(ncn1)O)Br WX637087 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.3 Cc1c(ccnc1Cl)I WX638072 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.3 Cc1ccc[n+](c1Br)[O-] WXC01652 [0,2,0,0,0,0|1,0,1]=4 314 B9R1.3 c1c(c(c(cn1)Br)Cl)F WXC04785 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.3 c1c(c(c(cn1)Br)N)Br WX609320 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.3 c1c(c(c(cn1)F)I)N WX609322 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.3 c1c(c(c(cn1)I)O)I WXC04111 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.3 c1cc(c(c(c1)Br)I)F WX634007 [0,2,0,0,0,0|1,0,0]=3 319 B9R1.3 c1cc(c(c(c1)Br)I)O WX645030 [0,2,0,0,0,0|0,0,0]=2 320 B9R1.3 c1cc(c(c(c1)Br)N)N WX602084 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.3 c1cnc(c(c1Cl)I)N WX609527 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.3 c1cnc(c(c1Cl)O)Br WXC01391 [0,2,0,0,0,0|1,0,0]=3 323 B9R1.3 c1cnc(c(c1F)I)Cl WXC02066 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.3 c1cnc(c(c1F)I)F WXC04286 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.3 c1cnc(c(c1I)Cl)Cl WX638035 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.3 c1cnc(c(c1I)Cl)F WXC01255 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.3 c1cnc(c(c1I)Cl)N WXC01256 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.3 c1cnc(c(c1N)I)Br WXC02473 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.3 c1cnc(c(c1N)I)Cl WX609403 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.3 c1nc(c(c(n1)O)F)O WX645043 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.34 Cc1cc(cc(=O)[nH]1)O WX649030 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.34 Cc1cc(cc(=O)o1)Br WXC01361 [0,2,0,0,0,0|1,0,1]=4 333 B9R1.34 Cc1cc(cc(=O)o1)N WXC01362 [0,2,0,0,0,0|1,0,1]=4 334 B9R1.34 Cc1cc(cc(=O)o1)N WXC01476 [0,2,0,0,0,0|1,0,1]=4 335 B9R1.34 c1c(c[n+](cc1Br)[O-])Br WXC00977 [0,2,0,0,0,0|1,0,1]=4 336 B9R1.34 c1c(cc(cc1Cl)Br)N WX602162 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.34 c1c(cc(nc1Br)Br)N WX609248 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.34 c1c(cc(nc1Cl)Cl)I WX636219 [0,2,0,0,0,0|2,0,0]=4