0 B8R1.11 Cc1c([nH]cn1)C=O WX624181 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.11 Cc1c(c[nH]n1)C=O WX624092 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 Cc1c(scn1)C=O WX624190 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.11 Cc1ccsc1CN WX609035 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.11 Cc1ccsc1CO WX640140 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.11 Cc1conc1C=O WX624031 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.11 Cn1c(ccn1)C#N WX683557 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.11 Cn1c(ccn1)C=O WX624182 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.11 Cn1c(ccn1)CN WX603006 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.11 Cn1c(ccn1)CO WX640357 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.11 Cn1cccc1C#N WX683514 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.11 Cn1cccc1CN WX607145 [0,0,0,0,0,0|1,0,1]=2 12 B8R1.11 Cn1ccnc1CN WX609047 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.11 Cn1cncc1C=O WX624180 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.11 Cn1cncc1CN WX603044 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.11 Cn1cncc1CO WX640128 [0,0,0,0,0,0|1,0,2]=3 16 B7R1.1 c1c([nH]cn1)C#N WXC03632 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.1 c1c([nH]cn1)CO WX640062 [1,0,0,0,0,0|1,0,2]=4 18 B7R1.1 c1c(cn[nH]1)C=O WX624203 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 c1c(nc[nH]1)C=O WX624178 [1,0,0,0,0,0|1,0,1]=3 20 B7R1.1 c1c(scn1)C=O WX624055 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 c1c[nH]nc1C=O WX624059 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.1 c1cc(sc1)CO WX640288 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.1 c1cnc([nH]1)CN WX609045 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 c1cnc([nH]1)CO WXC03352 [1,0,0,0,0,0|1,0,2]=4 25 B7R1.1 c1conc1C=O WX624030 [1,0,0,0,0,0|1,0,1]=3 26 B7R1.1 c1csc(n1)C=O WX624188 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.4 Cn1c(ccn1)Br WX637412 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.4 Cn1c(ccn1)I WX638001 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.4 Cn1c(ccn1)N WX609468 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.4 Cn1c(cnn1)I WX638049 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.4 Cn1c(ncn1)N WX606015 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.4 Cn1ccnc1Br WX637034 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.4 Cn1ccnc1I WX638056 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.4 Cn1cncc1Cl WX636231 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.4 Cn1cncc1I WX638026 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.14 CCn1ccnc1CO WXC03175 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.22 Cc1c(cn(n1)C)C=O WX624209 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.22 Cc1c(sc(n1)C)C=O WX624192 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.22 Cc1cc([nH]c1C=O)C WX624103 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.22 Cc1cc(n(n1)C)C#N WXC00831 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.22 Cc1cc(n(n1)C)C=O WX624210 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.22 Cc1cc(n(n1)C)CCl WX630293 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.22 Cc1cc(n(n1)C)NC WX607142 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.22 Cn1c(cc(n1)N)SC WXC00846 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.22 Cn1c(cc(n1)O)C#N WXC00842 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.27 Cn1c(c(cn1)Br)C=O WX624213 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.27 Cn1c(c(cn1)I)C#N WX638067 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.27 Cn1c(c(cn1)N)C#N WXC03210 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.33 Cn1ccnc1CNN WX684056 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.41 CC(=O)c1ccnn1C WX626017 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.41 Cc1c([nH]cn1)C(=O)O WX614250 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.41 Cc1c(c[nH]n1)C(=O)C WX626082 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.41 Cc1c(c[nH]n1)C(=O)O WX613012 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.41 Cc1c(cc[nH]1)C(=O)O WX614100 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.41 Cc1c(con1)C(=O)O WX614141 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.41 Cc1c(ocn1)C(=O)O WX614136 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 Cc1c[nH]cc1C(=O)O WX614124 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.41 Cc1cocc1C(=O)O WX613137 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.41 Cc1cscc1C(=O)O WX614279 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.41 Cn1c(ccn1)C(=O)O WX614032 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.41 Cn1ccnc1C(=O)O WX614056 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.41 Cn1cncc1C(=O)O WX614251 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.41 c1c(c(cs1)Br)C(=O)O WXC02715 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.41 c1coc(c1Br)C(=O)O WX614376 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.132 Cc1c(cnn1C)C=O WX624196 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 Cc1cc(ccn1)C=O WX624158 [0,0,0,0,0,1|2,0,0]=3 68 B9R1.2 Cc1cccc(n1)C=O WX624173 [0,0,0,0,0,1|1,0,0]=2 69 B9R1.2 Cc1cccc(n1)CCl WX630176 [0,0,0,0,0,1|2,0,1]=4 70 B9R1.2 Cc1cccc(n1)CN WX609028 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.2 Cc1cccc(n1)NN WXC01942 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.2 Cc1ccnc(c1)C=O WX624021 [0,0,0,0,0,1|2,0,0]=3 73 B9R1.2 Cc1cncc(n1)C=O WX624023 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.2 c1c(cncc1Cl)C=O WX624175 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.2 c1cnc(cc1C=O)O WX624062 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.15 Cc1c(cccn1)CN WX603047 [0,0,0,0,0,1|2,0,1]=4 77 B9R1.15 Cc1c(cccn1)CO WX640263 [0,0,0,0,0,1|1,0,2]=4 78 B9R1.15 Cc1cccnc1C=O WX624058 [0,0,0,0,0,1|1,0,0]=2 79 B9R1.15 Cc1cccnc1CN WX609026 [0,0,0,0,0,1|2,0,1]=4 80 B9R1.15 Cc1cccnc1CO WX640138 [0,0,0,0,0,1|1,0,2]=4 81 B9R1.15 Cc1cnccc1C#N WX683503 [0,0,0,0,0,1|2,0,1]=4 82 B9R1.15 Cc1cnccc1CN WX609037 [0,0,0,0,0,1|2,0,1]=4 83 B9R1.15 Cc1cnccc1CO WX640116 [0,0,0,0,0,1|1,0,2]=4 84 B9R1.15 c1cc(c(nc1)Cl)C=O WX624177 [0,0,0,0,0,1|2,0,0]=3 85 B9R1.15 c1cncc(c1Cl)C=O WX624176 [0,0,0,0,0,1|2,0,0]=3 86 B9R1.15 c1cncc(c1N)C=O WX624056 [0,0,0,0,0,1|2,0,0]=3 87 B9R1.15 c1cncc(c1N)C=O WXC03252 [0,0,0,0,0,1|2,0,0]=3 88 B6R1.2 Cn1cncn1 WX690050 [2,0,0,0,0,0|2,0,0]=4 89 B6R1.2 c1c([nH]cn1)F WX607151 [2,0,0,0,0,0|2,0,0]=4 90 B6R1.2 c1cnc([nH]1)Br WX637273 [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 c1cnc([nH]1)Cl WX636123 [2,0,0,0,0,0|2,0,0]=4 92 B6R1.2 c1cnc([nH]1)I WX638033 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.1 Cc1[nH]c(cn1)C=O WX624179 [1,1,0,0,0,0|1,0,0]=3 94 B8R1.1 Cc1cc([nH]n1)C=O WX624022 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.1 Cc1cc(no1)C=O WX624054 [1,1,0,0,0,0|1,0,1]=4 96 B8R1.1 Cc1cc(sc1)C=O WX624184 [1,1,0,0,0,0|1,0,0]=3 97 B8R1.1 Cc1ccc([nH]1)C=O WX624113 [1,1,0,0,0,0|0,0,0]=2 98 B8R1.1 Cc1ccc(s1)C=O WX624186 [1,1,0,0,0,0|1,0,0]=3 99 B8R1.1 Cc1csc(n1)C=O WX624189 [1,1,0,0,0,0|1,0,1]=4 100 B8R1.1 Cn1ccc(n1)C=O WX624063 [1,1,0,0,0,0|1,0,1]=4 101 B8R1.1 c1c(sc(n1)C=O)Cl WX624028 [1,1,0,0,0,0|1,0,1]=4 102 B8R1.1 c1c(sc(n1)Cl)C=O WX624029 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [1,1,0,0,0,0|1,0,1]=4 104 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [1,1,0,0,0,0|1,0,1]=4 105 B8R1.7 CC(=O)c1cncs1 WX626015 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.7 c1c(nc[nH]1)C(=O)O WX614057 [1,1,0,0,0,0|1,0,1]=4 107 B8R1.7 c1c(nco1)C(=O)O WX614087 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.7 c1c(ncs1)C(=O)N WX619024 [1,1,0,0,0,0|1,0,1]=4 109 B8R1.7 c1c(scn1)C(=O)O WX614255 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.7 c1c[nH]cc1C(=O)O WX614253 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.7 c1c[nH]nc1C(=O)O WX614216 [1,1,0,0,0,0|1,0,1]=4 112 B8R1.7 c1cn[nH]c1C(=O)O WX614248 [1,1,0,0,0,0|1,0,0]=3 113 B8R1.7 c1cnc([nH]1)C(=O)O WX614140 [1,1,0,0,0,0|1,0,0]=3 114 B8R1.7 c1cnn(c1)C(=O)Cl WX616007 [1,1,0,0,0,0|1,0,1]=4 115 B8R1.8 c1cc([nH]c1)\C=N\O WX690085 [1,1,0,0,0,0|0,0,1]=3 116 B8R1.18 Cc1cc(n(n1)C)I WX638066 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.18 Cc1cc(nn1C)N WX609107 [1,1,0,0,0,0|1,0,1]=4 118 B8R1.18 Cc1cn(c(n1)Br)C WX637337 [1,1,0,0,0,0|2,0,0]=4 119 B8R1.18 Cc1nc(cn1C)Br WX637065 [1,1,0,0,0,0|1,0,1]=4 120 B8R1.50 CN1C(=O)CNC1=O WX604660 [1,1,0,0,0,0|1,0,1]=4 121 B8R1.50 Cc1c(cnn1C)Br WX637332 [1,1,0,0,0,0|1,0,1]=4 122 B8R1.50 Cc1c(cnn1C)I WX638074 [1,1,0,0,0,0|1,0,1]=4 123 B8R1.50 Cc1c(cnn1C)N WX609482 [1,1,0,0,0,0|1,0,1]=4 124 B8R1.50 Cc1c(n(cn1)C)Br WX637338 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.50 Cc1ncc(n1C)Br WX637066 [1,1,0,0,0,0|1,0,1]=4 126 B8R1.50 Cn1c(c(cn1)Br)N WXC00586 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.50 Cn1c(c(cn1)N)N WXC02229 [1,1,0,0,0,0|2,0,0]=4 128 B8R1.50 Cn1cnc(c1Br)Br WX637014 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.50 Cn1cnc(c1Br)F WX637428 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.2 c1cc(c(c(c1)Br)F)C=O WXC01703 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.2 c1cc(c(c(c1)F)N)C=O WXC02100 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.30 Cc1ccc(c(c1)C=O)Br WX622040 [0,1,0,0,0,1|1,0,0]=3 133 B10R1.30 Cc1ccc(c(n1)C=O)O WXC01810 [0,1,0,0,0,1|1,0,0]=3 134 B10R1.30 c1cc(c(cc1Cl)C=O)Cl WXC00108 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.113 CC(=O)c1cccc(n1)Br WX624141 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.113 Cc1cc(cnc1)C(=O)N WX619274 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.113 Cc1cc(cnc1)C(=O)O WX614246 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.113 Cc1cccc(n1)C(=N)N WXC03164 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [0,1,0,0,0,1|1,0,0]=3 141 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.113 Cc1nccc(n1)C(=O)O WX614004 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.113 c1cc(nc(c1)Cl)C(=O)O WX614070 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.172 COc1cc(ccn1)C=O WX622010 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.172 COc1cc(cnc1)C=O WX624057 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.176 c1cc(c(cc1C=O)F)O WX624053 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.4 Cc1ccccc1NC=O WXC00961 [0,1,0,0,0,1|1,0,0]=3 149 B10R1.4 c1ccc(c(c1)NC=O)Br WXC04003 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.25 Cc1c(ccc(n1)Cl)C=O WX624065 [0,1,0,0,0,1|1,0,0]=3 151 B10R1.25 Cc1cc(ncc1C=O)Cl WX624064 [0,1,0,0,0,1|1,0,0]=3 152 B10R1.25 c1c(c(cnc1Cl)C=O)Cl WXC01807 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.25 c1cc(c(cc1O)Br)C=O WX622017 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.25 c1cc(nc(c1C=O)F)Cl WX636267 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.61 Cc1c(cccn1)C(=O)O WX614245 [0,1,0,0,0,1|1,0,0]=3 159 B10R1.61 Cc1cccnc1C(=O)O WX619068 [0,1,0,0,0,1|1,0,0]=3 160 B10R1.61 Cc1ccncc1C(=O)O WX614191 [0,1,0,0,0,1|1,0,0]=3 161 B10R1.61 Cc1cnccc1C(=O)O WX614130 [0,1,0,0,0,1|1,0,0]=3 162 B10R1.61 c1cncc(c1C(=O)O)F WX614062 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.245 c1cc(c(c(c1)Br)C=O)F WX642107 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.245 c1cnc(c(c1I)C=O)Cl WXC01649 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.245 c1cnc(c(c1I)C=O)F WX624106 [0,1,0,0,0,1|2,0,0]=4 166 B10R1.39 COc1cscc1C(=O)O WX614134 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.59 Cc1c(cc(s1)Br)C(=O)O WXC01808 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.59 Cn1cc(cc1C(=O)O)F WX613775 [0,2,0,0,0,0|0,0,0]=2 169 B10R1.192 Cc1c(n(cn1)C)C(=O)O WXC00488 [0,2,0,0,0,0|1,0,0]=3 170 B10R1.192 Cn1c(c(cn1)Br)C(=O)O WX637372 [0,2,0,0,0,0|1,0,0]=3 171 B10R1.192 Cn1c(c(cn1)I)C(=O)O WX634004 [0,2,0,0,0,0|1,0,0]=3 172 B10R1.149 Cc1cc[nH]c1C(=O)OC WX618007 [0,2,0,0,0,0|2,0,0]=4 173 B10R1.149 Cn1c(ccn1)C(=O)OC WX618160 [0,2,0,0,0,0|1,0,0]=3 174 B10R1.149 Cn1c(ncn1)C(=O)OC WXC00430 [0,2,0,0,0,0|2,0,0]=4 175 B10R1.149 Cn1cncc1C(=O)OC WX618385 [0,2,0,0,0,0|1,0,0]=3 176 B10R1.194 Cc1c(scc1C(=O)O)C WX614379 [0,2,0,0,0,0|2,0,0]=4 177 B10R1.194 Cc1ncc(n1C)C(=O)O WXC00772 [0,2,0,0,0,0|1,0,0]=3 178 B10R1.194 Cn1c(cnc1O)C(=O)O WXC01465 [0,2,0,0,0,0|1,0,0]=3 179 B10R1.194 Cn1c(cnc1S)C(=O)O WXC02108 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.2 CNc1cccnc1 WX609454 [0,0,1,1,0,0|2,0,0]=4 181 B8R1.2 CNc1ccncn1 WX606069 [0,0,1,1,0,0|2,0,0]=4 182 B8R1.2 CNc1cnccn1 WX606056 [0,0,1,1,0,0|2,0,0]=4 183 B8R1.2 c1ccnc(c1)NN WXC04165 [0,0,1,1,0,0|2,0,0]=4 184 B8R1.5 Cc1ccccc1O WX645081 [0,0,1,1,0,0|1,0,1]=4 185 B8R1.4 Cc1cccc(c1)O WX645080 [0,0,1,1,0,0|1,0,1]=4 186 B10R2.7 c1ccn2c(c1)ccn2 WX690056 [0,0,0,1,0,1|2,0,0]=4