0 B11R1.280 CCc1cc(ccc1Br)OC WX633194 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.30 CCc1cc(ccc1Br)O WX633044 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.30 CCc1cc(ccc1O)F WX645008 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.30 COc1c(ccc(n1)Br)N WX609220 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.30 COc1cc(cnc1Cl)Br WX637391 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.30 COc1cc(ncc1Br)N WXC01994 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 Cc1ccc(c(c1)OC)Cl WX632007 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.30 c1cc(c(cc1Br)CO)O WXC01146 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.172 COc1cc(ccn1)C#N WX683548 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.172 COc1cc(ccn1)C=O WX622010 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.172 COc1cc(ccn1)CN WX603011 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.172 COc1cc(ccn1)CO WX640064 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.172 COc1cc(cnc1)C=O WX624057 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.172 COc1cccc(c1)C#C WX685201 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.172 COc1cccc(n1)C#C WX686201 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.172 COc1ccnc(c1)C#N WX683556 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.176 Cc1ccc(cc1C)CN WX603058 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.176 Cc1ccc(cc1C)CN WX603165 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.176 c1cc(c(cc1C=O)F)O WX624053 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.56 COc1c(ccc(n1)C(=O)O)Br WXC02582 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.56 COc1cc(ccc1Cl)C(=O)O WX612010 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.56 COc1cc(cnc1I)C(=O)O WXC03747 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.56 COc1cc(cnc1O)[N+](=O)[O-] WX649073 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.78 CCc1cc(ccc1CO)C#N WX640155 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.78 COc1cc(cnc1OC)C=O WX624212 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.300 COc1cc(cc(c1O)F)C=O WX622089 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.449 COc1cc(c(cc1Cl)F)C=O WX622066 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.654 COc1c(ccc(c1F)C=O)Cl WX622071 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.44 c1cc2c(cc1C=O)CCC2 WX622062 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.44 c1cc2c(cc1CO)CCO2 WX640273 [0,0,0,1,0,0|2,0,1]=4 31 B12R2.44 c1cc2c(cc1CO)OCO2 WX640280 [0,0,0,1,0,0|1,0,1]=3 32 B9R1.2 COc1cc(ccn1)Br WX637041 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.2 COc1cc(ccn1)Cl WX636220 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.2 COc1cc(ccn1)O WX645099 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.2 COc1cccc(n1)I WXC00054 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.2 COc1ccnc(c1)N WX609515 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.2 Cc1cc(ccn1)C=O WX624158 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.2 Cc1cccc(n1)C=O WX624173 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.2 Cc1ccnc(c1)C=O WX624021 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.2 c1cnc(cc1C=O)O WX624062 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 CCc1c(cccn1)O WX649107 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 COc1c(cccn1)Br WX637046 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 COc1ccncc1Br WX637275 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.69 c1cc(c(cc1O)O)N WX602111 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.8 COc1cc(cc(c1N)Br)F WXC01320 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.8 Cc1cc(cc(c1I)OC)Cl WX634017 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.37 COc1cc(ccc1C#N)Br WX633093 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.37 COc1cc(ccc1SC)N WX602203 [1,1,0,0,0,0|1,1,0]=4 52 B11R1.37 COc1cc(cnc1OC)Br WX637392 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.37 COc1ccc(nc1OC)N WX609238 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.167 CC(C)c1cc(ccc1O)Br WX633226 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.267 COc1cccc(c1F)CBr WX630233 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.267 COc1cccc(c1I)OC WXC00986 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.267 Cc1c(cccc1OC)CO WX640354 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.21 c1cc(c(cc1C(=O)O)O)I WX612079 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.192 Cc1cc(ccc1O)SC#N WX690009 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.278 Cc1c(c(ccc1C#N)O)C WX683308 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.278 Cc1c(ccc(c1O)C=O)O WXC01854 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.279 Cc1cc(cnc1OC)C=O WX624205 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.49 CCc1cc(ccc1O)C(=O)OC WX645073 [0,2,0,0,0,0|1,0,1]=4 64 B13R1.49 COc1cc(ccc1N)C(=O)OC WXC01902 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.354 CCOc1cc(ccc1N)C(=O)N WX602124 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.434 COc1cc(cc(c1OC)Br)C=O WX622033 [0,2,0,0,0,0|1,0,0]=3 67 B13R1.434 COc1cc(cc(c1OC)F)C=O WXFC0166 [0,2,0,0,0,0|1,0,0]=3 68 B13R1.2200 COc1cc(c(cc1OC)OC)O WXC03699 [0,2,0,0,0,0|1,0,1]=4 69 B13R2.430 CC(c1ccc2c(c1)OCO2)O WX642068 [0,1,0,1,0,0|0,0,2]=4 70 B13R2.57 c1cc2c(cc1CN)OCCO2 WX609019 [0,1,0,1,0,0|1,0,1]=4 71 B13R2.57 c1cc2c(cc1CO)OCCO2 WX640375 [0,1,0,1,0,0|1,0,1]=4 72 B13R2.599 COc1cc2nccn2cc1Br WXC01995 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.599 c1c(c(cc2c1OCO2)Cl)CO WX640281 [0,1,0,1,0,0|1,0,1]=4 74 B13R2.654 c1c(cc(c2c1OCO2)Br)C=O WX622056 [0,1,0,1,0,0|1,0,0]=3 75 B13R2.654 c1c(cc(c2c1OCO2)Cl)CO WX640129 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.265 COc1c(ccnc1OC)O WX649117 [0,0,0,0,1,1|1,0,1]=4