0 B11R1.279 COc1cc(c(cn1)C#N)Cl WX636316 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.279 COc1ccc(c(c1)F)CBr WX630050 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.279 CSc1ncc(c(n1)N)C=O WXC01636 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.3 COc1ccc(cn1)C=O WX624042 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.3 COc1ccc(nc1)C#N WX683549 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.3 c1cc(ccc1CBr)C=O WX622025 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.3 c1cc(ccc1CO)C=O WX640141 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.25 COc1ccc(cc1O)O WX645051 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.25 Cc1c(ccc(n1)Cl)C=O WX624065 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.25 Cc1cc(ncc1C=O)Cl WX624064 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.25 Cc1ccc(c(c1)F)C#N WX636059 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.25 c1c(c(cnc1Cl)C=O)Cl WXC01807 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.25 c1cc(c(cc1Br)O)CO WXC01145 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.25 c1cc(c(cc1O)Br)C=O WX622017 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.25 c1cc(nc(c1C=O)F)Cl WX636267 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.176 COc1cc(c(cn1)I)Cl WX638071 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O WXC02421 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.452 c1cc(c(cc1C#N)O)[N+](=O)[O-] WXC01128 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.44 CCc1ccc2cc[nH]c2c1 WX690029 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.44 COc1ccc2cc[nH]c2c1 WX690013 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.1 CNc1ccc(cc1)Br WXC02256 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 COc1ccc(nc1)Cl WX636208 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 Cc1ccc(cc1)NN WX684225 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.1 c1cc(ncc1Br)C=O WX624044 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 c1cc(ncc1C=O)Cl WX624043 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 c1cc(ncc1Cl)C=O WX624172 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 Cc1cccnc1C=O WX624058 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 c1cc(c(nc1)Cl)C=O WX624177 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.15 c1cncc(c1Cl)C=O WX624176 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 c1cncc(c1N)C=O WX624056 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 c1cncc(c1N)C=O WXC03252 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.69 Cc1ccc(cc1Br)O WX633051 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.69 c1cc(c(cc1O)Br)F WX645040 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.69 c1cc(c(cc1O)Cl)Br WX645074 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 c1cc(c(cc1O)O)N WX602111 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.2 COc1cc(ccn1)Br WX637041 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.2 COc1cc(ccn1)Cl WX636220 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.2 COc1cc(ccn1)O WX645099 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.2 COc1cccc(n1)I WXC00054 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 COc1ccnc(c1)N WX609515 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.3 CCc1ccc(cn1)C(=O)O WXC00284 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.3 CN(C)c1ccc(cc1)C=O WXC03610 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.3 COc1cnc(nc1)C(=O)O WX614312 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.37 COc1c(ccc(n1)Cl)C=O WXC01981 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N WX632029 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] WX645001 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.277 Cc1cc(c(nc1C)Cl)C=O WXC03004 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.277 c1c(c(cc(c1Br)F)F)C=O WX622095 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.278 Cc1c(ccc(c1O)C=O)O WXC01854 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.278 c1cc(c(c(c1C=O)N)F)F WXC02105 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.464 Cc1cc(cc(c1C=O)O)O WX622084 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.464 c1c(cc(c(c1Br)C=O)Br)F WXFC0162 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.464 c1c(cc(c(c1F)C=O)Br)Br WXFC0136 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.464 c1c(cc(c(c1F)C=O)Cl)F WXC00369 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.280 CCc1cc(ccc1Br)OC WX633194 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.280 COc1cc(c(cn1)F)CO WXC02146 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.280 COc1ccc(c(c1)C=O)Cl WX622079 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.280 COc1ccc(c(c1)CBr)Cl WX630237 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.280 COc1ccc(c(c1)CBr)F WX630203 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])Br WXC04139 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F WXC00507 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.99 CCc1ccc(c(c1)CC)C(=O)O WXC02640 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.434 COc1cc(c(c(c1)Br)C=O)OC WX622091 [0,2,0,0,0,0|0,0,0]=2 71 B13R1.2200 COc1cc(c(cc1OC)OC)O WXC03699 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.95 CCC(=O)c1ccc(cc1C)OC WX626032 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.265 COc1cccc(c1C=O)O WX622081 [0,0,1,1,0,0|0,0,2]=4 74 B11R1.159 Cn1cccc(c1=O)C(=O)O WX614268 [0,0,1,1,0,0|2,0,0]=4 75 B11R2.36 Cc1ccc2cc[nH]c2c1 WX690210 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.2130 COc1ccc2c(c1)CCC2=O WX626038 [0,1,0,1,0,0|1,0,0]=3 77 B13R2.2130 Cc1c2ccc(cc2[nH]n1)OC WX690025 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.2121 COc1ccc2c(c1)nc([nH]2)N WX606106 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.22 Cc1cc([nH]c1C=O)C WX624103 [1,0,0,0,1,0|2,0,0]=4 80 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [1,0,0,0,1,0|2,0,0]=4