0 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,0,0,0,0,0|0,0,2]=3 3 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 CC(CN)c1ccccc1 LS10637 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 CC(CN)c1ccccc1 LS10638 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,0,0,0,0,0|1,0,2]=4 36 B12R2.612 CC1c2ccc(cc2CN1)Br LS40061 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 CCc1ccc(cn1)Br LS21179 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 COc1ccc(cc1)S LS11831 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 Cc1ccc(cc1)C#C LS10578 [2,0,0,0,0,0|0,0,2]=4 44 B9R1.1 Cc1ccc(cc1)CBr LS11264 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 Cc1ccc(cc1)CN LS11220 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.1 Cc1ccc(cc1)CO LS11273 [2,0,0,0,0,0|0,0,1]=3 47 B9R1.1 Cc1ccc(nc1)OC LS20323 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 c1cc(ccc1CBr)Br LS11427 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.1 c1cc(ccc1CBr)F LS10228 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 c1cc(ccc1CBr)I LS11269 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|1,0,1]=4 55 B9R1.1 c1cc(ncc1Br)C=O LS20518 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 c1cc(ncc1C=O)Br LS20544 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 c1cc(cnc1)CC=O LS21221 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 c1ccc(cc1)CCN LS10634 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.8 c1ccc(cc1)CCN LS10635 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.8 c1ccc(cc1)CNO LS11836 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.8 c1ccc(cc1)CNO LS40338 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.8 c1ccc(cc1)CON LS40003 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 CC(=O)c1cccnc1 LS20960 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.6 C[C@H](c1ccccc1)N LS30099 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [1,1,0,0,0,0|0,0,0]=2 74 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [1,1,0,0,0,0|0,0,1]=3 79 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.19 CC(C)(C)c1ccc(cc1)Br LS11196 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.19 CC(C)(c1ccc(cc1)Br)O LS11332 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30073 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30074 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] LS40936 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] LS10327 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] LS10437 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.12 CN[C@@H](CO)c1ccccc1 LS30211 [1,1,0,0,0,0|0,0,2]=4 104 B11R1.12 CN[C@H](CO)c1ccccc1 LS30210 [1,1,0,0,0,0|0,0,2]=4 105 B11R1.16 C[C@@H](c1ccccc1)N=C=O LS30276 [1,1,0,0,0,0|0,0,1]=3 106 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [1,1,0,0,0,0|0,0,0]=2 107 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [1,1,0,0,0,0|0,0,0]=2 108 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,1,0,0,0,1|1,0,0]=3 110 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br LS30159 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br LS30158 [0,1,0,0,0,1|2,0,0]=4 112 B13R1.36 COc1ccc(cc1)C(C(=O)O)O LS11566 [0,2,0,0,0,0|1,0,0]=3