0 B8R1.11 Cc1c([nH]cn1)C=O WX624181 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.11 Cc1c(c[nH]n1)C=O WX624092 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 Cc1c(con1)CN WX603010 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.11 Cc1c(nc[nH]1)CO WX640293 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.11 Cc1c(scn1)C=O WX624190 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.11 Cc1c(scn1)CN WX609043 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.11 Cc1c(scn1)CO WXC00854 [0,0,0,0,0,0|1,0,1]=2 7 B8R1.11 Cc1c(snn1)CO WX641001 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.11 Cc1ccsc1CN WX609035 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.11 Cc1ccsc1CO WX640140 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.11 Cc1conc1C=O WX624031 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.11 Cn1c(ccn1)C#N WX683557 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.11 Cn1c(ccn1)C=O WX624182 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.11 Cn1c(ccn1)CN WX603006 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.11 Cn1c(ccn1)CO WX640357 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.1 CNc1nncs1 WX607061 [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=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|2,0,1]=4 20 B7R1.1 c1c(ocn1)CO WX640330 [1,0,0,0,0,0|1,1,1]=4 21 B7R1.1 c1c(scn1)C=O WX624055 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.1 c1c(scn1)CCl WXC04167 [1,0,0,0,0,0|1,0,1]=3 23 B7R1.1 c1c(scn1)CN WX609040 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.1 c1cc(sc1)CO WX640288 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 c1csc(n1)C=O WX624188 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.4 Cc1c(nc[nH]1)Br WX637071 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.4 Cn1c(ccn1)Br WX637412 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.4 Cn1c(ccn1)I WX638001 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.4 Cn1c(ccn1)N WX609468 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.4 Cn1c(ncn1)N WX606015 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.4 c1[nH]c(c(n1)F)Br WX637418 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.22 C(c1c(nc(s1)Br)Br)O WX690251 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.22 Cc1c(cn(n1)C)C=O WX624209 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.22 Cc1c(sc(n1)C)C=O WX624192 [0,1,0,0,0,0|1,0,0]=2 35 B9R1.22 Cc1c(sc(n1)C)CN WX603014 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.22 Cc1c(sc(n1)C)CO WX640322 [0,1,0,0,0,0|1,0,1]=3 37 B9R1.22 Cc1cc([nH]c1C=O)C WX624103 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.22 Cc1cc(n(n1)C)C=O WX624210 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.27 Cn1c(c(cn1)Br)C=O WX624213 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.41 B(c1c(ccs1)C)(O)O WX654054 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.41 CC(=O)c1ccnn1C WX626017 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.41 Cc1c([nH]cn1)C(=O)O WX614250 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.41 Cc1c([nH]cn1)[N+](=O)[O-] WXC01262 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.41 Cc1c(c[nH]n1)C(=O)C WX626082 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.41 Cc1c(c[nH]n1)C(=O)O WX613012 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.41 Cc1c(cc[nH]1)C(=O)O WX614100 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.41 Cc1c(con1)C(=O)O WX614141 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.41 Cc1c(n[nH]n1)C(=O)O WX613767 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.41 Cc1c(ocn1)C(=O)O WX614136 [0,1,0,0,0,0|1,1,0]=3 50 B9R1.41 Cc1c(snn1)C(=O)O WX613776 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.41 Cn1c(ccn1)C(=O)O WX614032 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.2 Cc1cc(ccn1)C#N WX683552 [0,0,0,0,0,1|2,0,1]=4 54 B9R1.2 Cc1cc(ccn1)C=O WX624158 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.2 Cc1cc(ccn1)CN WX609039 [0,0,0,0,0,1|2,0,1]=4 56 B9R1.2 Cc1cccc(n1)C=O WX624173 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.2 Cc1ccnc(c1)C=O WX624021 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.2 c1cnc(cc1C=O)O WX624062 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.15 Cc1c(cccn1)CN WX603047 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.15 Cc1c(cccn1)CO WX640263 [0,0,0,0,0,1|2,0,1]=4 61 B9R1.15 Cc1cccnc1C=O WX624058 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.15 Cc1cnccc1C#N WX683503 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.15 Cc1cnccc1CN WX609037 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.15 Cc1cnccc1CO WX640116 [0,0,0,0,0,1|2,0,1]=4 65 B9R1.15 c1cc(c(nc1)Cl)C=O WX624177 [0,0,0,0,0,1|3,0,0]=4 66 B6R1.2 Cn1cncn1 WX690050 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 c1c([nH]cn1)F WX607151 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 c1c(nc[nH]1)F WXC02154 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 c1c(nc[nH]1)I WX638027 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 c1c(scn1)Br WX637038 [2,0,0,0,0,0|1,0,0]=3 71 B6R1.2 c1nnc(s1)Br WX637044 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.1 Cc1[nH]c(cn1)C=O WX624179 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 Cc1cc(sc1)C=O WX624184 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 Cc1ccc(s1)C=O WX624186 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 Cc1ncc(s1)CCl WX630056 [1,1,0,0,0,0|1,0,1]=4 76 B8R1.1 Cc1ncc(s1)CN WX609044 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.1 Cc1ncc(s1)CO WX640102 [1,1,0,0,0,0|1,0,1]=4 78 B8R1.1 c1c(sc(n1)Br)C#N WX637270 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.1 c1c(sc(n1)Cl)C=O WX624029 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.1 c1c(sc(n1)Cl)CN WX600148 [1,1,0,0,0,0|1,0,1]=4 81 B8R1.7 CC(=O)c1cncs1 WX626015 [1,1,0,0,0,0|0,0,1]=3 82 B8R1.7 CC(c1cncs1)N WX609041 [1,1,0,0,0,0|0,0,2]=4 83 B8R1.7 c1c(scn1)C(=O)O WX614255 [1,1,0,0,0,0|1,0,0]=3 84 B8R1.8 CNCc1cncs1 WX609042 [1,1,0,0,0,0|0,0,2]=4 85 B8R1.18 Cc1c(sc(n1)N)C WX606003 [1,1,0,0,0,0|0,0,1]=3 86 B8R1.50 Cc1c(n(cn1)C)Br WX637338 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.113 Cc1nccc(n1)C(=O)O WX614004 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.172 COc1cc(ccn1)C=O WX622010 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.25 Cc1c(ccc(n1)Cl)C=O WX624065 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.61 Cc1c(cccn1)C(=O)O WX614245 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.61 Cc1cnccc1C(=O)O WX614130 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.59 Cc1c(sc(n1)Br)C(=O)O WX614187 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.59 Cc1c(sc(n1)C)C(=O)O WX614269 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.59 c1(c(nc(s1)Br)Br)C(=O)O WX614075 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.192 Cc1c(n(cn1)C)C(=O)O WXC00488 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.5 Cc1c(cccn1)N WX609161 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.5 Cc1c(cccn1)O WX649093 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.4 Cc1cc(ccn1)O WX645022 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.4 Cc1cc(ncn1)Cl WX636233 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.4 Cc1cc(ncn1)N WX609382 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.4 Cc1cc(ncn1)O WX645020 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.4 Cc1cccc(c1)O WX645080 [0,0,1,1,0,0|1,1,0]=4 103 B8R1.4 Cc1cccc(n1)Br WX637312 [0,0,1,1,0,0|1,0,0]=3 104 B8R1.4 Cc1cccc(n1)O WX649098 [0,0,1,1,0,0|0,1,0]=3 105 B8R1.4 Cc1ccnc(n1)Cl WX636093 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.4 Cc1ccnc(n1)O WX619017 [0,0,1,1,0,0|1,1,0]=4 107 B8R1.4 Cc1cncc(n1)Cl WX636239 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.4 Cc1cncc(n1)N WX609148 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.4 Cc1nccc(n1)Cl WX636234 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.4 Cc1nccc(n1)N WX606010 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.4 Cc1nccc(n1)O WX645021 [0,0,1,1,0,0|1,1,0]=4 112 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [0,0,1,1,0,0|1,1,0]=4 113 B10R2.7 c1c[nH]c2c1ccnc2 WX690125 [0,0,0,1,0,1|2,0,0]=4 114 B10R2.7 c1c[nH]c2c1cncn2 WXC02447 [0,0,0,1,0,1|2,0,0]=4 115 B10R2.2 C1Cc2c(sc(n2)N)C1 WX609531 [0,1,0,1,0,0|0,0,2]=4