0 B8R1.4 Cc1cc(ccn1)O WX645022 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.4 Cc1cc(cnc1)N WX609450 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 Cc1cc(cnc1)O WX649090 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 Cc1cc(ncn1)Cl WX636233 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.4 Cc1cc(ncn1)N WX609382 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.4 Cc1cc(ncn1)O WX645020 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 Cc1cccc(c1)O WX645080 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.4 Cc1cccc(n1)Br WX637312 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 Cc1cccc(n1)O WX649098 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 Cc1ccnc(c1)Cl WX636229 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 Cc1ccnc(c1)O WX649095 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.4 Cc1ccnc(n1)Cl WX636093 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.4 Cc1ccnc(n1)O WX619017 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 Cc1cncc(n1)Cl WX636239 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.4 Cc1cncc(n1)N WX609148 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 Cc1nccc(n1)Cl WX636234 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.4 Cc1nccc(n1)N WX606010 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.4 Cc1nccc(n1)O WX645021 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.4 c1c(cn[nH]c1=O)Cl WX636243 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.4 c1c(cncc1F)O WX649045 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 c1c(cnnc1Cl)N WX609431 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.4 c1c(nc(cn1)Br)Cl WX637068 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.4 c1cc(=O)[nH]c(c1)Br WX637131 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.4 c1cc(c[n+](c1)[O-])Br WX637015 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 c1cnc(cc1Cl)O WX636064 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.4 c1cnc(cc1F)N WX609167 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 c1cnc(cc1I)F WX638043 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 c1c(cncn1)N WX609156 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 c1c(cncn1)O WX645041 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 c1cc(cnc1)N WX609448 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 c1cc(cnc1)O WX649089 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 c1cc(nnc1)Br WX637045 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 c1cc(nnc1)Cl WX636063 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 c1cc(nnc1)N WX609159 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 c1ccc(cc1)O WX645078 [1,0,0,0,0,0|0,0,0]=1 36 B7R1.3 c1ccnc(c1)O WX649094 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 c1cnc(cn1)Cl WX636237 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 c1cnc(cn1)N WX609446 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 c1cnc(nc1)Cl WX636235 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 c1cnc(nc1)O WX649101 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 c1cnccc1O WX649100 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 c1cncnc1Cl WX636060 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 c1cncnc1Cl WX636232 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 c1cncnc1N WX609259 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 c1cncnc1O WX649099 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.2 C#Cc1cc(ccn1)N WX609329 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.2 CCc1nccc(n1)O WXC04103 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.2 COc1cc(ccn1)Br WX637041 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.2 COc1cc(ccn1)Cl WX636220 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.2 COc1cc(ccn1)O WX645099 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.2 COc1cc(ncn1)Cl WX636065 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.2 COc1cccc(n1)I WXC00054 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 COc1ccnc(c1)N WX609515 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.2 COc1ccnc(n1)N WXC01071 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.2 COc1nccc(n1)N WX609476 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 CSc1cc(cnc1)Br WX637159 [0,1,0,0,0,0|2,1,0]=4 57 B9R1.2 Cc1cc(ccn1)C#N WX683552 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.2 Cc1cc(ccn1)C=O WX624158 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.2 Cc1cc(ccn1)CN WX609039 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.2 Cc1cc(cnc1)C#N WX683559 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 Cc1cc(cnc1)CN WX603037 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.2 Cc1cc(cnc1)CN WX603115 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 Cc1cc(cnc1)CO WX640286 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.2 Cc1cccc(n1)C=O WX624173 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.2 Cc1cccc(n1)CCl WX630176 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.2 Cc1cccc(n1)CN WX609028 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 Cc1cccc(n1)NN WXC01942 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 Cc1ccnc(c1)C#N WX683538 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 Cc1ccnc(c1)C=O WX624021 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.2 Cc1ccnc(c1)CN WX603045 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 Cc1ccnc(n1)CO WX640137 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 c1c(cncc1Br)C#N WX637012 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 c1c(cncc1Br)CO WX640147 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 c1c(cncc1Cl)C=O WX624175 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.2 c1c(cncc1Cl)CO WXC01376 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 c1c(nc(cn1)Cl)CO WX636325 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 c1cc(c[n+](c1)[O-])CN WXC04237 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.2 c1cc(nc(c1)Br)C#N WX637370 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 c1cc(nc(c1)Br)CBr WX630170 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 c1cc(nc(c1)Cl)C#N WX636061 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 c1cnc(cc1Br)C#N WX637083 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 c1cnc(cc1C#N)N WX602152 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 c1cnc(cc1C#N)S WX687604 [0,1,0,0,0,0|2,1,0]=4 84 B9R1.2 c1cnc(cc1C=O)O WX624062 [0,1,0,0,0,0|1,0,1]=3 85 B9R1.2 c1cnc(cc1CBr)N WXC01190 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 c1cnc(cc1CN)Cl WX603074 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 c1cnc(cc1CO)Cl WX640039 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.2 c1cnc(cc1Cl)CN WX603072 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 c1cnc(cc1Cl)CO WX640283 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 c1cnc(cc1I)NN WX684201 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 c1cnc(cc1NN)Cl WX684211 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.3 Cc1c(c(ncn1)O)Br WX637087 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.3 Cc1c(ccnc1Cl)I WX638072 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.3 Cc1ccc[n+](c1Br)[O-] WXC01652 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.3 c1c(c(c(cn1)Br)Cl)F WXC04785 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.3 c1c(c(c(cn1)Br)N)Br WX609320 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.3 c1c(c(c(cn1)F)I)N WX609322 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.3 c1c(c(c(cn1)I)O)I WXC04111 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.3 c1cc(c(c(c1)Br)I)F WX634007 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.3 c1cc(c(c(c1)Br)I)O WX645030 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.3 c1cc(c(c(c1)Br)N)N WX602084 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.3 c1cnc(c(c1Cl)I)N WX609527 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.3 c1cnc(c(c1Cl)O)Br WXC01391 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.3 c1cnc(c(c1F)I)Cl WXC02066 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.3 c1cnc(c(c1F)I)F WXC04286 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.3 c1cnc(c(c1I)Cl)Cl WX638035 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.3 c1cnc(c(c1I)Cl)F WXC01255 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.3 c1cnc(c(c1I)Cl)N WXC01256 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.3 c1cnc(c(c1N)I)Br WXC02473 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 c1cnc(c(c1N)I)Cl WX609403 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.3 c1nc(c(c(n1)O)F)O WX645043 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.34 Cc1cc(cc(=O)[nH]1)O WX649030 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.34 Cc1cc(cc(=O)o1)Br WXC01361 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.34 Cc1cc(cc(=O)o1)N WXC01362 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.34 Cc1cc(cc(=O)o1)N WXC01476 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.34 c1c(c[n+](cc1Br)[O-])Br WXC00977 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.34 c1c(cc(cc1Cl)Br)N WX602162 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.34 c1c(cc(nc1Br)Br)N WX609248 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.34 c1c(cc(nc1Cl)Cl)I WX636219 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 Cc1c(cc(cn1)Br)N WX609484 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.69 Cc1c(ccc(n1)Cl)Br WX637052 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.69 Cc1c(ccc(n1)N)Br WX637051 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 Cc1cc(c(nc1)F)I WX638020 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 Cc1cc(c(nc1)I)C WX638014 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 Cc1cc(cnc1N)O WX609496 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.69 Cc1cc(ncc1Br)Cl WX637053 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 Cc1cc(ncc1Br)N WX637054 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 Cc1cc(ncc1N)Br WXC01642 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 Cc1ccc(cc1Br)O WX633051 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.69 Cc1cnc(cc1Br)N WX609326 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 Cc1cnc(cc1I)F WX638021 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.69 Cc1cnc(cc1I)N WX638022 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.69 Cc1ncc(c(n1)O)F WX619060 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.69 Cn1cc(ccc1=O)Br WX637374 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.69 c1c(c(cnc1Cl)Cl)I WXC03706 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 c1c(c(cnc1Cl)I)F WXC02067 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.69 c1c(c(cnc1Cl)I)N WX609125 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.69 c1c(c(cnc1Cl)O)I WXC03698 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.69 c1c(c(nc(n1)N)O)F WXFS0420 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.69 c1c(cnc(c1Br)F)N WX609473 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.69 c1c(cnc(c1Br)O)Br WX637354 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.69 c1c(cnc(c1F)Cl)N WXC03109 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.69 c1c(cnc(c1I)Cl)Br WXC02307 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.69 c1c(cnc(c1I)N)Br WXC00998 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 c1c(cnc(c1I)O)Br WXC02306 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 c1c(cnc(c1N)Br)Br WX637367 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 c1c(cnc(c1N)N)F WXC03337 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.69 c1c(cnc(c1O)N)Br WX609122 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 c1cc(c(cc1Br)N)I WX602197 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.69 c1cc(c(cc1I)F)N WXC01916 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.69 c1cc(c(cc1O)Br)F WX645040 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.69 c1cc(c(cc1O)Cl)Br WX645074 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.69 c1cc(c(cc1O)O)N WX602111 [0,1,0,0,0,0|0,0,0]=1 156 B9R1.69 c1cc(nc(c1Br)N)N WX609104 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 c1cc(nc(c1I)F)F WXC00406 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 c1cc(nc(c1I)N)N WX609118 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 c1cc(nc(c1N)Br)Cl WXC03009 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.69 c1cc(nc(c1N)Cl)Br WXC00315 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.69 c1cc(nc(c1O)Cl)I WX645091 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.69 c1cc(nc(c1O)N)Br WX609218 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [0,1,1,0,0,0|2,0,0]=4 164 B8R1.2 C=Cc1cccnc1 WX685205 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.2 CNc1cccnc1 WX609454 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.2 c1cc(cnc1)CO WX640285 [1,1,0,0,0,0|1,0,0]=3 167 B8R1.2 c1ccnc(c1)CO WX640282 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.2 c1ccnc(c1)NN WXC04165 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.2 c1cnc(cn1)CO WX640335 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.2 c1cnc(nc1)CO WX640112 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.2 c1cnc(nc1)CO WXC04758 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.2 c1cnccc1CO WX640289 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.2 c1cnccc1NN WX684229 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.2 c1cncnc1CO WX640254 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.3 Cc1ccc(cc1)O WX645079 [1,1,0,0,0,0|0,0,0]=2 176 B8R1.3 Cc1ccc(cn1)N WX609427 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.3 Cc1ccc(cn1)O WX649092 [1,1,0,0,0,0|1,0,0]=3 178 B8R1.3 Cc1ccc(nc1)Br WX637311 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.3 Cc1ccc(nc1)O WX649096 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.3 Cc1cnc(nc1)O WX645028 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.3 c1c(cnc(n1)Cl)O WX636062 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.3 c1c(ncc(n1)Br)O WX645031 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.3 c1cc(ncc1F)F WX639016 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.5 Cc1c(cccn1)N WX609161 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.5 Cc1c(cccn1)O WX649093 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.5 Cc1ccccc1O WX645081 [1,1,0,0,0,0|0,0,0]=2 187 B8R1.5 Cc1cccnc1Cl WX636230 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.5 Cc1cccnc1O WX649097 [1,1,0,0,0,0|1,0,0]=3 189 B8R1.5 Cc1ccncc1N WX609452 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.5 Cc1ccncc1O WX649091 [1,1,0,0,0,0|1,0,0]=3 191 B8R1.5 Cc1cnccc1Br WX637039 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.5 Cc1cnccc1Cl WX609160 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.5 Cc1cnccc1O WX645018 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.5 Cc1cncnc1O WX649072 [1,1,0,0,0,0|2,0,0]=4 195 B8R1.5 c1cc(c(nc1)Br)F WX637049 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.5 c1cc(c(nc1)Cl)I WX636168 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.5 c1cc(c(nc1)F)I WX634015 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.5 c1cc(c(nc1)N)Cl WX609235 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.5 c1cc(c(nc1)N)I WX638018 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.5 c1cncc(c1Br)F WX637048 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.5 c1cncc(c1Cl)I WX638003 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.5 c1cncc(c1I)N WX609215 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.5 c1cncc(c1N)I WX609341 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.5 c1cncc(c1N)O WX609099 [1,1,0,0,0,0|1,0,0]=3 205 B8R1.5 c1cncc(c1O)N WX609105 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.1 Cc1cc(sc1)CO WX640133 [0,1,0,0,1,0|2,0,0]=4 207 B8R1.1 Cc1ccc(s1)CO WX640089 [0,1,0,0,1,0|2,0,0]=4 208 B8R1.11 Cc1ccsc1CO WX640140 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.2 COc1cccc(c1O)F WX645094 [0,2,0,0,0,0|1,0,0]=3 210 B10R1.2 Cc1c(cccc1Br)CO WXC02559 [0,2,0,0,0,0|1,0,0]=3 211 B10R1.2 Cc1c(cncc1Br)CO WXC00312 [0,2,0,0,0,0|2,0,0]=4 212 B10R1.2 c1cc(c(c(c1)Br)F)C=O WXC01703 [0,2,0,0,0,0|1,0,1]=4 213 B10R1.2 c1cc(c(c(c1)Br)F)CO WXC00439 [0,2,0,0,0,0|1,0,0]=3 214 B10R1.2 c1cc(c(c(c1)F)N)C#N WX609168 [0,2,0,0,0,0|2,0,0]=4 215 B10R1.2 c1cc(c(c(c1)F)N)C=O WXC02100 [0,2,0,0,0,0|1,0,1]=4 216 B10R1.2 c1cc(c(c(c1)F)N)CO WXC02099 [0,2,0,0,0,0|1,0,0]=3 217 B10R1.8 C=Cc1cc(cc(c1)Br)F WXC04268 [0,2,0,0,0,0|2,0,0]=4 218 B10R1.8 c1c(cc(cc1Cl)Cl)CBr WX630055 [0,2,0,0,0,0|2,0,0]=4 219 B10R1.10 CCOc1cc(ccn1)Cl WXC04143 [0,2,0,0,0,0|2,0,0]=4 220 B10R1.10 CCOc1cccc(n1)Br WX633197 [0,2,0,0,0,0|2,0,0]=4 221 B10R1.10 CNCc1cccc(c1)O WX600071 [0,2,0,0,0,0|1,0,0]=3 222 B10R1.10 CSCc1cccc(c1)Br WX633087 [0,2,0,0,0,0|1,1,0]=4 223 B10R1.30 CCc1cc(ccc1Br)O WX633044 [0,2,0,0,0,0|1,0,0]=3 224 B10R1.30 CCc1cc(ccc1O)F WX645008 [0,2,0,0,0,0|2,0,0]=4 225 B10R1.30 COc1c(ccc(n1)Br)N WX609220 [0,2,0,0,0,0|2,0,0]=4 226 B10R1.30 COc1cc(cnc1Cl)Br WX637391 [0,2,0,0,0,0|2,0,0]=4 227 B10R1.30 COc1cc(ncc1Br)N WXC01994 [0,2,0,0,0,0|2,0,0]=4 228 B10R1.30 Cc1ccc(c(c1)C=O)Br WX622040 [0,2,0,0,0,0|1,0,1]=4 229 B10R1.30 Cc1ccc(c(c1)OC)Cl WX632007 [0,2,0,0,0,0|1,0,0]=3 230 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [0,2,0,0,0,0|2,0,0]=4 231 B10R1.30 Cc1ccc(cc1C#N)Br WX633119 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.30 c1c(c(cnc1O)F)CCl WXC02145 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.30 c1cc(c(cc1Br)CN)F WXC00357 [0,2,0,0,0,0|2,0,0]=4 234 B10R1.30 c1cc(c(cc1Br)CO)O WXC01146 [0,2,0,0,0,0|1,0,0]=3 235 B10R1.30 c1cc(c(cc1Cl)C=O)Cl WXC00108 [0,2,0,0,0,0|1,0,1]=4 236 B10R1.113 B(c1cc(cnc1)C)(O)O WX654007 [0,2,0,0,0,0|2,0,0]=4 237 B10R1.113 B(c1cc(cnc1)F)(O)O WX654011 [0,2,0,0,0,0|2,0,0]=4 238 B10R1.113 B(c1cccc(n1)Br)(O)O WX654047 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.113 B(c1ccnc(c1)C)(O)O WX654006 [0,2,0,0,0,0|2,0,0]=4 240 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [0,2,0,0,0,0|1,0,1]=4 241 B10R1.113 Cc1cc(cnc1)C(=O)O WX614246 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [0,2,0,0,0,0|1,0,0]=3 243 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [0,2,0,0,0,0|1,0,0]=3 244 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.113 c1c(cncc1Cl)C(=O)O WX614059 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.113 c1c(cncc1F)C(=O)O WX614202 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.113 c1c(ncnc1O)C(=O)O WX614294 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.113 c1cc(cc(c1)Cl)C(=S)N WX619930 [0,2,0,0,0,0|1,1,0]=4 250 B10R1.113 c1cc(cc(c1)I)C(F)F WXFC0039 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.113 c1cc(cc(c1)N)C(F)F WX602046 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.113 c1cc(cc(c1)O)C(F)F WXFC0040 [0,2,0,0,0,0|1,0,0]=3 253 B10R1.113 c1cc(nc(c1)Cl)C(=O)O WX614070 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.113 c1cnc(cc1Br)C(=O)O WX614145 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.113 c1cnc(cc1C(=O)O)F WX614285 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.172 COc1cc(ccn1)C#N WX683548 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.172 COc1cc(ccn1)C=O WX622010 [0,2,0,0,0,0|1,0,1]=4 258 B10R1.172 COc1cc(ccn1)CN WX603011 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.172 COc1cc(ccn1)CO WX640064 [0,2,0,0,0,0|1,0,0]=3 260 B10R1.172 COc1cc(cnc1)C=O WX624057 [0,2,0,0,0,0|1,0,1]=4 261 B10R1.172 COc1cccc(c1)C#C WX685201 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.172 COc1cccc(n1)C#C WX686201 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.172 COc1ccnc(c1)C#N WX683556 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.172 c1cc(cc(c1)C#N)CN WX603070 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.176 COc1cc(c(cn1)I)Cl WX638071 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.176 Cc1ccc(cc1C)CN WX603058 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.176 Cc1ccc(cc1C)CN WX603165 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.176 c1cc(c(cc1C=O)F)O WX624053 [0,2,0,0,0,0|1,0,1]=4 269 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [0,2,0,0,0,0|0,0,1]=3 270 B10R1.176 c1cc(c(cc1CN)F)Cl WX603025 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.22 Cc1c(cc(cc1N)Br)N WXC03172 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.22 Cc1cc(c(c(c1)O)I)O WX645086 [0,2,0,0,0,0|0,0,0]=2 273 B10R1.22 Cc1cc(cc(=O)n1C)O WX649032 [0,2,0,0,0,0|1,0,1]=4 274 B10R1.22 Cc1cc(cc(c1Br)O)O WX633179 [0,2,0,0,0,0|0,0,0]=2 275 B10R1.22 Cc1cc(cc(c1I)O)Cl WX645038 [0,2,0,0,0,0|1,0,0]=3 276 B10R1.22 Cc1cc(cc(c1N)Br)Br WX602211 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.22 c1c(cc(c(c1F)N)Cl)Cl WXC01539 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.245 COc1c(cccc1Br)O WXC02342 [0,2,0,0,0,0|1,0,0]=3 279 B10R1.245 COc1c(cccc1Cl)F WX633170 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.245 Cc1cccc(c1C#N)F WX683311 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.245 c1cc(c(c(c1)Br)C=O)F WX642107 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.245 c1cc(c(c(c1)Br)CN)F WXC04457 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.245 c1cc(c(c(c1)Br)CO)F WX640088 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.25 C#Cc1ccc(cc1Cl)Cl WX686206 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.25 CNc1ccc(cc1Br)F WX633219 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.25 COc1ccc(cc1O)O WX645051 [0,2,0,0,0,0|0,0,0]=2 287 B10R1.25 Cc1ccc(c(c1)F)C#N WX636059 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.25 c1cc(c(cc1Br)I)CBr WX630085 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.25 c1cc(c(cc1Br)O)CO WXC01145 [0,2,0,0,0,0|1,0,0]=3 291 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.25 c1cc(c(cc1O)Br)C=O WX622017 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.118 c1c(c(cc(c1I)Cl)F)N WX602121 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.118 c1c(c(nc(c1Cl)Cl)I)O WXC01201 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.8 c1cc([nH]c1)\C=N\O WX690085 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.8 c1cc(oc1)CCO WX640320 [0,0,1,1,0,0|0,0,2]=4