0 B13R1.3090 C=Cc1ccc(cc1C(C)(C)C)O 271570a_100011290941_200010201835 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.3090 CC(C)(C)c1cc(ccc1C#N)O 271570a_203496583355_100015698581 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.3090 CC(C)(C)c1cc(ccc1N[13CH3])Br 2230a_100010286096_200025704644 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.3090 CC(C)(C)c1cc(ccc1N[13CH3])Br 34a_100010286096_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.3090 CC(C)(C)c1cc(ccc1N[13CH3])Br 7a_100010286096_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Br 34a_100000704011_200025704644 [0,0,0,0,0,0|1,0,0]=1 6 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Br 7a_100000704011_200025704644 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Cl 34a_100012180897_200025704644 [0,0,0,0,0,0|1,0,0]=1 8 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Cl 7a_100012180897_200025704644 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.3090 CC(C)(C)c1cc(ccc1S[13CH3])O 62a_200010201835_200025704644 [0,0,0,0,0,0|0,1,0]=1 10 B13R1.3090 CC(C)(C)c1cc(ccc1S[13CH3])O 62a_200025704644_200010201835 [0,0,0,0,0,0|0,1,0]=1 11 B13R1.3090 CNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.3090 CNc1ccc(cc1C(C)(C)C)Br 34a_100010286096_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.3090 CNc1ccc(cc1C(C)(C)C)Br 7a_100010286096_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.3090 CNc1ccc(cc1C(F)(F)F)O 271570a_203496583355_200020629673 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.3090 CNc1ccc(cc1C(F)(F)F)O 34a_100011269838_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.3090 CNc1ccc(cc1C(F)(F)F)O 7a_100011269838_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.3090 CNc1ccc(cc1P(=O)(C)C)C 2230a_202126155009_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.3090 CNc1ccc(cc1P(=O)(C)C)C 34a_202126155009_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.3090 CNc1ccc(cc1P(=O)(C)C)C 7a_202126155009_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.3090 COc1ccc(cc1C(C)(C)C)Br 34a_100000704011_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B13R1.3090 COc1ccc(cc1C(C)(C)C)Br 7a_100000704011_200000210301 [0,0,0,0,0,0|1,0,0]=1 22 B13R1.3090 COc1ccc(cc1C(C)(C)C)C 34a_100000211090_200000210301 [0,0,0,0,0,0|1,0,0]=1 23 B13R1.3090 COc1ccc(cc1C(C)(C)C)C 7a_100000211090_200000210301 [0,0,0,0,0,0|1,0,0]=1 24 B13R1.3090 COc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_200000210301 [0,0,0,0,0,0|1,0,0]=1 25 B13R1.3090 COc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_200000210301 [0,0,0,0,0,0|1,0,0]=1 26 B13R1.3090 COc1ccc(cc1C(F)(F)F)Br 34a_100000693511_200000210301 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.3090 COc1ccc(cc1C(F)(F)F)Br 7a_100000693511_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.3090 COc1ccc(cc1C(F)(F)F)Cl 34a_100000697227_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.3090 COc1ccc(cc1C(F)(F)F)Cl 7a_100000697227_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.3090 COc1ccc(cc1C(F)(F)F)F 34a_100000036800_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.3090 COc1ccc(cc1C(F)(F)F)F 7a_100000036800_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.3090 COc1ccc(cc1C(F)(F)F)N 34a_100000686436_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.3090 COc1ccc(cc1C(F)(F)F)N 7a_100000686436_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.3090 COc1ccc(cc1C(F)(F)F)O 271570a_203496583355_100009813749 [0,0,0,0,0,0|3,0,0]=3 35 B13R1.3090 COc1ccc(cc1S(=O)(=O)C)Br 34a_200015712519_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.3090 COc1ccc(cc1S(=O)(=O)C)Br 7a_200015712519_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.3090 COc1ccc(cc1S(=O)(=O)N)O 271570a_203496583355_100000164584 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.3090 COc1ncc(cc1C(F)(F)F)O 271570a_203496583355_100010172922 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.3090 CS(=O)(=O)c1cc(ccc1O[13CH3])Br 34a_200015712519_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.3090 CS(=O)(=O)c1cc(ccc1O[13CH3])Br 7a_200015712519_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.3090 CSc1ccc(cc1C(C)(C)C)O 62a_200000210301_200010201835 [0,0,0,0,0,0|0,1,0]=1 42 B13R1.3090 CSc1ccc(cc1C(C)(C)C)O 62a_200010201835_200000210301 [0,0,0,0,0,0|0,1,0]=1 43 B13R1.3090 CSc1ccc(cc1C(F)(F)F)O 62a_100011934338_200000210301 [0,0,0,0,0,0|3,1,0]=4 44 B13R1.3090 CSc1ccc(cc1C(F)(F)F)O 62a_200000210301_100011934338 [0,0,0,0,0,0|3,1,0]=4 45 B13R1.3090 Cc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211090_200025704644 [0,0,0,0,0,0|1,0,0]=1 46 B13R1.3090 Cc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211090_200025704644 [0,0,0,0,0,0|1,0,0]=1 47 B13R1.3090 Cc1ccc(c(c1)P(=O)(C)C)N[13CH3] 2230a_202126155009_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.3090 Cc1ccc(c(c1)P(=O)(C)C)N[13CH3] 34a_202126155009_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.3090 Cc1ccc(c(c1)P(=O)(C)C)N[13CH3] 7a_202126155009_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.3090 [13CH3]Nc1ccc(cc1C(F)(F)F)O 34a_100011269838_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B13R1.3090 [13CH3]Nc1ccc(cc1C(F)(F)F)O 7a_100011269838_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)Br 34a_100000693511_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)Br 7a_100000693511_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)Cl 34a_100000697227_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)Cl 7a_100000697227_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)F 34a_100000036800_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)F 7a_100000036800_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)N 34a_100000686436_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.3090 [13CH3]Oc1ccc(cc1C(F)(F)F)N 7a_100000686436_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.3090 [13CH3]Sc1ccc(cc1C(F)(F)F)O 62a_100011934338_200025704644 [0,0,0,0,0,0|3,1,0]=4 61 B13R1.3090 [13CH3]Sc1ccc(cc1C(F)(F)F)O 62a_200025704644_100011934338 [0,0,0,0,0,0|3,1,0]=4 62 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [1,0,0,0,0,0|1,0,2]=4 63 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [1,0,0,0,0,0|1,0,2]=4 64 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [1,0,0,0,0,0|1,0,2]=4 65 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [1,0,0,0,0,0|1,0,2]=4 66 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [1,0,0,0,0,0|1,0,2]=4 67 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [1,0,0,0,0,0|0,0,2]=3 68 B12R1.46 C=Cc1ccc(cc1C(C)C)Br 271570a_100011290941_100010244561 [1,0,0,0,0,0|2,0,1]=4 69 B12R1.46 C=Cc1ccc(cc1N(C)C)O 271570a_100011290941_200010083878 [1,0,0,0,0,0|2,0,1]=4 70 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [1,0,0,0,0,0|2,0,1]=4 73 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [1,0,0,0,0,0|2,0,1]=4 74 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [1,0,0,0,0,0|2,0,1]=4 75 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [1,0,0,0,0,0|2,0,1]=4 76 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [1,0,0,0,0,0|2,0,1]=4 77 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [1,0,0,0,0,0|2,0,1]=4 78 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 2230a_100000694223_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 34a_100000694223_200025704644 [1,0,0,0,0,0|2,0,0]=3 81 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 7a_100000694223_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 2230a_100011941472_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 34a_100011941472_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 7a_100011941472_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [1,0,0,0,0,0|1,0,0]=2 86 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [1,0,0,0,0,0|1,0,0]=2 87 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_100010244561_200025704644 [1,0,0,0,0,0|1,1,0]=3 88 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_200025704644_100010244561 [1,0,0,0,0,0|1,1,0]=3 89 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_100012343209_200025704644 [1,0,0,0,0,0|2,1,0]=4 90 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_200025704644_100012343209 [1,0,0,0,0,0|2,1,0]=4 91 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [1,0,0,0,0,0|2,0,0]=3 92 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [1,0,0,0,0,0|2,0,0]=3 93 B12R1.46 CN(C)c1cc(ccc1S[13CH3])O 62a_200025704644_200010083878 [1,0,0,0,0,0|1,1,0]=3 94 B12R1.46 CNc1ccc(cc1C(C)C)Br 2230a_100000694223_200000210301 [1,0,0,0,0,0|2,0,0]=3 95 B12R1.46 CNc1ccc(cc1C(C)C)Br 34a_100000694223_200000210301 [1,0,0,0,0,0|2,0,0]=3 96 B12R1.46 CNc1ccc(cc1C(C)C)Br 7a_100000694223_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B12R1.46 CNc1ccc(cc1C(C)C)F 2230a_100011941472_200000210301 [1,0,0,0,0,0|2,0,0]=3 98 B12R1.46 CNc1ccc(cc1C(C)C)F 34a_100011941472_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B12R1.46 CNc1ccc(cc1C(C)C)F 7a_100011941472_200000210301 [1,0,0,0,0,0|2,0,0]=3 100 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [1,0,0,0,0,0|2,0,1]=4 102 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [1,0,0,0,0,0|2,0,1]=4 103 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [1,0,0,0,0,0|2,0,1]=4 104 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [1,0,0,0,0,0|2,0,1]=4 105 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [1,0,0,0,0,0|2,0,1]=4 106 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [1,0,0,0,0,0|2,0,1]=4 110 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [1,0,0,0,0,0|2,0,1]=4 113 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [1,0,0,0,0,0|1,0,1]=3 116 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [1,0,0,0,0,0|1,0,1]=3 117 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [1,0,0,0,0,0|2,0,1]=4 118 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [1,0,0,0,0,0|2,0,1]=4 119 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [1,0,0,0,0,0|2,0,1]=4 120 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [1,0,0,0,0,0|2,0,1]=4 121 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [1,0,0,0,0,0|1,0,1]=3 123 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [1,0,0,0,0,0|1,0,0]=2 124 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [1,0,0,0,0,0|1,0,0]=2 125 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [1,0,0,0,0,0|2,0,0]=3 127 B12R1.46 COc1ccc(cc1C(F)F)O 271570a_203496583355_100010146105 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [1,0,0,0,0,0|2,0,1]=4 133 B12R1.46 COc1ncc(cc1C(F)F)O 271570a_203496583355_100010751526 [1,0,0,0,0,0|3,0,0]=4 134 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_100010244561_200000210301 [1,0,0,0,0,0|1,1,0]=3 135 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_200000210301_100010244561 [1,0,0,0,0,0|1,1,0]=3 136 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_100012343209_200000210301 [1,0,0,0,0,0|2,1,0]=4 137 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_200000210301_100012343209 [1,0,0,0,0,0|2,1,0]=4 138 B12R1.46 CSc1ccc(cc1N(C)C)O 62a_200000210301_200010083878 [1,0,0,0,0,0|1,1,0]=3 139 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_100134768474_200000210301 [1,0,0,0,0,0|2,1,0]=4 140 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_200000210301_100134768474 [1,0,0,0,0,0|2,1,0]=4 141 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [1,0,0,0,0,0|2,0,0]=3 142 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [1,0,0,0,0,0|2,0,0]=3 143 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [1,0,0,0,0,0|2,0,0]=3 144 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [1,0,0,0,0,0|2,0,0]=3 145 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_100134768474_200025704644 [1,0,0,0,0,0|2,1,0]=4 146 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_200025704644_100134768474 [1,0,0,0,0,0|2,1,0]=4 147 B12R1.76 C=Cc1ccccc1C(C)(C)C 271570a_100011290941_100012339570 [1,0,0,0,0,0|1,0,1]=3 148 B12R1.76 C=Cc1ccccc1C(C)(C)N 271570a_100011290941_100020606264 [1,0,0,0,0,0|2,0,1]=4 149 B12R1.76 C=Cc1ccccc1C(C)(C)O 271570a_100011290941_100011346021 [1,0,0,0,0,0|2,0,1]=4 150 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 2230a_100000211005_200025704644 [1,0,0,0,0,0|1,0,0]=2 151 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 34a_100000211005_200025704644 [1,0,0,0,0,0|1,0,0]=2 152 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 7a_100000211005_200025704644 [1,0,0,0,0,0|1,0,0]=2 153 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [1,0,0,0,0,0|0,0,0]=1 154 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [1,0,0,0,0,0|0,0,0]=1 155 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_100012339570_200025704644 [1,0,0,0,0,0|0,1,0]=2 156 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_200025704644_100012339570 [1,0,0,0,0,0|0,1,0]=2 157 B12R1.76 CC(C)(C)c1ncncc1S[13CH3] 62a_200010089871_200025704644 [1,0,0,0,0,0|2,1,0]=4 158 B12R1.76 CC(C)(C)c1ncncc1S[13CH3] 62a_200025704644_200010089871 [1,0,0,0,0,0|2,1,0]=4 159 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_100020606264_200025704644 [1,0,0,0,0,0|1,1,0]=3 160 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_200025704644_100020606264 [1,0,0,0,0,0|1,1,0]=3 161 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 34a_100000081495_200025704644 [1,0,0,0,0,0|2,0,0]=3 162 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 7a_100000081495_200025704644 [1,0,0,0,0,0|2,0,0]=3 163 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_100011346021_200025704644 [1,0,0,0,0,0|1,1,0]=3 164 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_200025704644_100011346021 [1,0,0,0,0,0|1,1,0]=3 165 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_100010080783_200025704644 [1,0,0,0,0,0|2,1,0]=4 166 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_200025704644_100010080783 [1,0,0,0,0,0|2,1,0]=4 167 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200010080787_200025704644 [1,0,0,0,0,0|2,1,0]=4 168 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200025704644_200010080787 [1,0,0,0,0,0|2,1,0]=4 169 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_100010220483_200025704644 [1,0,0,0,0,0|2,1,0]=4 170 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_200025704644_100010220483 [1,0,0,0,0,0|2,1,0]=4 171 B12R1.76 CNc1ccccc1C(C)(C)C 2230a_100000211005_200000210301 [1,0,0,0,0,0|1,0,0]=2 172 B12R1.76 CNc1ccccc1C(C)(C)C 34a_100000211005_200000210301 [1,0,0,0,0,0|1,0,0]=2 173 B12R1.76 CNc1ccccc1C(C)(C)C 7a_100000211005_200000210301 [1,0,0,0,0,0|1,0,0]=2 174 B12R1.76 CNc1ccccc1C(C)(C)O 34a_100000081495_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B12R1.76 CNc1ccccc1C(C)(C)O 7a_100000081495_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B12R1.76 CNc1ccccc1P(=O)(C)C 2230a_100010749338_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.76 CNc1ccccc1P(=O)(C)C 34a_100010749338_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.76 CNc1cncnc1C(C)(C)C 27a_100102657272_200010089871 [1,0,0,0,0,0|3,0,0]=4 179 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [1,0,0,0,0,0|0,0,0]=1 180 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [1,0,0,0,0,0|0,0,0]=1 181 B12R1.76 COc1ccccc1C(F)(F)F 34a_100000236976_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B12R1.76 COc1ccccc1C(F)(F)F 7a_100000236976_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B12R1.76 COc1ccccc1[Si](C)(C)C 7a_100000095915_200000210301 [1,0,0,0,0,0|0,1,0]=2 186 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 2230a_100010749338_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 34a_100010749338_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B12R1.76 CSc1ccccc1C(C)(C)C 62a_100012339570_200000210301 [1,0,0,0,0,0|0,1,0]=2 191 B12R1.76 CSc1ccccc1C(C)(C)C 62a_200000210301_100012339570 [1,0,0,0,0,0|0,1,0]=2 192 B12R1.76 CSc1ccccc1C(C)(C)N 62a_100020606264_200000210301 [1,0,0,0,0,0|1,1,0]=3 193 B12R1.76 CSc1ccccc1C(C)(C)N 62a_200000210301_100020606264 [1,0,0,0,0,0|1,1,0]=3 194 B12R1.76 CSc1ccccc1C(C)(C)O 62a_100011346021_200000210301 [1,0,0,0,0,0|1,1,0]=3 195 B12R1.76 CSc1ccccc1C(C)(C)O 62a_200000210301_100011346021 [1,0,0,0,0,0|1,1,0]=3 196 B12R1.76 CSc1ccccc1C(C)(F)F 62a_100010220483_200000210301 [1,0,0,0,0,0|2,1,0]=4 197 B12R1.76 CSc1ccccc1C(C)(F)F 62a_200000210301_100010220483 [1,0,0,0,0,0|2,1,0]=4 198 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200000210301_200010080787 [1,0,0,0,0,0|2,1,0]=4 199 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200010080787_200000210301 [1,0,0,0,0,0|2,1,0]=4 200 B12R1.76 CSc1cncnc1C(C)(C)C 62a_200000210301_200010089871 [1,0,0,0,0,0|2,1,0]=4 201 B12R1.76 CSc1cncnc1C(C)(C)C 62a_200010089871_200000210301 [1,0,0,0,0,0|2,1,0]=4 202 B12R1.76 CSc1ncccc1C(C)(C)O 62a_100010080783_200000210301 [1,0,0,0,0,0|2,1,0]=4 203 B12R1.76 CSc1ncccc1C(C)(C)O 62a_200000210301_100010080783 [1,0,0,0,0,0|2,1,0]=4 204 B12R1.76 C[Si](C)(C)c1ccccc1O[13CH3] 7a_100000095915_200025704644 [1,0,0,0,0,0|0,1,0]=2 205 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 34a_100000236976_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 7a_100000236976_200025704644 [1,0,0,0,0,0|3,0,0]=4 207 B12R1.128 CC(C)(C)c1cc(ccc1N)O 271570a_203496583355_100010286096 [1,0,0,0,0,0|1,0,0]=2 208 B12R1.128 CC(C)(C)c1cc(ccc1O)O 271570a_203496583355_100000704011 [1,0,0,0,0,0|0,0,0]=1 209 B12R1.128 CC(C)(C)c1cc(ccc1O)O 271570a_203496583355_200010201835 [1,0,0,0,0,0|0,0,0]=1 210 B12R1.128 CC(C)(O)c1cc(ccc1F)O 271570a_203496583355_100012636306 [1,0,0,0,0,0|2,0,0]=3 211 B12R1.128 CC(F)(F)c1cc(ccc1F)O 271570a_203496583355_100011004755 [1,0,0,0,0,0|3,0,0]=4 212 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [1,0,0,0,0,0|3,0,0]=4 213 B12R1.128 Cc1ccc(cc1C(F)(F)F)O 271570a_203496583355_100011217407 [1,0,0,0,0,0|3,0,0]=4 214 B12R1.128 Cc1ccc(cc1S(=O)(=O)C)O 271570a_203496583355_100009814363 [1,0,0,0,0,0|3,0,0]=4 215 B12R1.128 Oc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100000693511 [1,0,0,0,0,0|3,0,0]=4 216 B12R1.128 Oc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100011934338 [1,0,0,0,0,0|3,0,0]=4 217 B14R1.2291 COc1cc(c(cc1C(F)(F)F)O)N 271570a_203496583355_100010984153 [0,1,0,0,0,0|3,0,0]=4 218 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)O 271570a_203496583355_200000165164 [0,1,0,0,0,0|3,0,0]=4 219 B14R1.3720 C=Cc1ccc(c(c1)C(C)(C)C)C#N 271570a_100011290941_100015698581 [0,1,0,0,0,0|3,0,0]=4 220 B14R1.3720 C=Cc1ccc(cc1C(C)(C)C)C#N 271570a_100011290941_100032085006 [0,1,0,0,0,0|2,0,1]=4 221 B14R1.3720 CC(C)(C)c1cc(ccc1C#N)S[13CH3] 62a_200025704644_100015698581 [0,1,0,0,0,0|2,1,0]=4 222 B14R1.3720 CC(C)(C)c1cc(ccc1N[13CH3])C#N 34a_100009981211_200025704644 [0,1,0,0,0,0|2,0,0]=3 223 B14R1.3720 CC(C)(C)c1cc(ccc1N[13CH3])C#N 7a_100009981211_200025704644 [0,1,0,0,0,0|2,0,0]=3 224 B14R1.3720 CC(C)(C)c1cc(ccc1O[13CH3])C#N 34a_100009855163_200025704644 [0,1,0,0,0,0|1,0,0]=2 225 B14R1.3720 CC(C)(C)c1cc(ccc1O[13CH3])C#N 7a_100009855163_200025704644 [0,1,0,0,0,0|1,0,0]=2 226 B14R1.3720 CC(C)(C)c1cc(ccc1S[13CH3])C#N 62a_200025704644_100032085006 [0,1,0,0,0,0|1,1,0]=3 227 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)OC 34a_100000211512_200000210301 [0,1,0,0,0,0|1,0,0]=2 228 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)OC 7a_100000211512_200000210301 [0,1,0,0,0,0|1,0,0]=2 229 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211512_200025704644 [0,1,0,0,0,0|1,0,0]=2 230 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211512_200025704644 [0,1,0,0,0,0|1,0,0]=2 231 B14R1.3720 CNc1ccc(c(c1)C(C)(C)C)C#N 27a_100102657272_100015698581 [0,1,0,0,0,0|3,0,0]=4 232 B14R1.3720 CNc1ccc(cc1C(C)(C)C)C#N 34a_100009981211_200000210301 [0,1,0,0,0,0|2,0,0]=3 233 B14R1.3720 CNc1ccc(cc1C(C)(C)C)C#N 7a_100009981211_200000210301 [0,1,0,0,0,0|2,0,0]=3 234 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 34a_100000074442_200000210301 [0,1,0,0,0,0|0,0,0]=1 235 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 34a_100000211501_200000210301 [0,1,0,0,0,0|0,0,0]=1 236 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 7a_100000074442_200000210301 [0,1,0,0,0,0|0,0,0]=1 237 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 7a_100000211501_200000210301 [0,1,0,0,0,0|0,0,0]=1 238 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211501_200025704644 [0,1,0,0,0,0|0,0,0]=1 239 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211501_200025704644 [0,1,0,0,0,0|0,0,0]=1 240 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 34a_100000094057_200000210301 [0,1,0,0,0,0|3,0,0]=4 241 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 34a_100009851142_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 7a_100000094057_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 7a_100009851142_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)O[13CH3] 34a_100009851142_200025704644 [0,1,0,0,0,0|3,0,0]=4 245 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)O[13CH3] 7a_100009851142_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B14R1.3720 COc1ccc(cc1C(C)(C)C)C#N 34a_100009855163_200000210301 [0,1,0,0,0,0|1,0,0]=2 247 B14R1.3720 COc1ccc(cc1C(C)(C)C)C#N 7a_100009855163_200000210301 [0,1,0,0,0,0|1,0,0]=2 248 B14R1.3720 COc1ccc(cc1C(C)(C)C)O[13CH3] 34a_100000074442_200025704644 [0,1,0,0,0,0|0,0,0]=1 249 B14R1.3720 COc1ccc(cc1C(C)(C)C)O[13CH3] 7a_100000074442_200025704644 [0,1,0,0,0,0|0,0,0]=1 250 B14R1.3720 COc1ccc(cc1C(F)(F)F)O[13CH3] 34a_100000094057_200025704644 [0,1,0,0,0,0|3,0,0]=4 251 B14R1.3720 COc1ccc(cc1C(F)(F)F)O[13CH3] 7a_100000094057_200025704644 [0,1,0,0,0,0|3,0,0]=4 252 B14R1.3720 CSc1ccc(c(c1)C(C)(C)C)C#N 62a_200000210301_100015698581 [0,1,0,0,0,0|2,1,0]=4 253 B14R1.3720 CSc1ccc(cc1C(C)(C)C)C#N 62a_200000210301_100032085006 [0,1,0,0,0,0|1,1,0]=3 254 B14R1.6044 C=C(C)c1ccc(cc1C(C)(C)C)O 271570a_100000694244_200010201835 [0,1,0,0,0,0|1,0,0]=2 255 B14R1.6722 C=C=Cc1ccc(cc1C(C)(C)C)O 271570a_100015277604_200010201835 [0,1,0,0,0,0|1,0,1]=3 256 B14R1.6722 CC(C)(C)c1cc(ccc1NCF)Br 34a_100010286096_100015361967 [0,1,0,0,0,0|2,0,0]=3 257 B14R1.6722 CC(C)(C)c1cc(ccc1NCF)Br 7a_100010286096_100015361967 [0,1,0,0,0,0|2,0,0]=3 258 B14R1.6722 CC(C)(C)c1cc(ccc1OCF)Br 34a_100000704011_100015361967 [0,1,0,0,0,0|1,0,0]=2 259 B14R1.6722 CC(C)(C)c1cc(ccc1OCF)Br 7a_100000704011_100015361967 [0,1,0,0,0,0|1,0,0]=2 260 B14R1.6722 CC(C)(C)c1cc(ccc1OCF)Cl 34a_100012180897_100015361967 [0,1,0,0,0,0|1,0,0]=2 261 B14R1.6722 CC(C)(C)c1cc(ccc1OCF)Cl 7a_100012180897_100015361967 [0,1,0,0,0,0|1,0,0]=2 262 B14R1.6722 CC(C)(C)c1cc(ccc1SCF)O 62a_100015361967_200010201835 [0,1,0,0,0,0|0,1,0]=2 263 B14R1.6722 CC(C)(C)c1cc(ccc1SCF)O 62a_200010201835_100015361967 [0,1,0,0,0,0|0,1,0]=2 264 B14R1.6722 CC=Cc1ccc(cc1C(C)(C)C)O 271570a_100016259895_200010201835 [0,1,0,0,0,0|1,0,0]=2 265 B14R1.6722 CCNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100000210202 [0,1,0,0,0,0|2,0,0]=3 266 B14R1.6722 CCNc1ccc(cc1C(C)(C)C)Br 34a_100010286096_100000210202 [0,1,0,0,0,0|2,0,0]=3 267 B14R1.6722 CCNc1ccc(cc1C(C)(C)C)Br 7a_100010286096_100000210202 [0,1,0,0,0,0|2,0,0]=3 268 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100000210202 [0,1,0,0,0,0|1,0,0]=2 269 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Br 7a_100000704011_100000210202 [0,1,0,0,0,0|1,0,0]=2 270 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)C 34a_100000211090_100000210202 [0,1,0,0,0,0|1,0,0]=2 271 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)C 7a_100000211090_100000210202 [0,1,0,0,0,0|1,0,0]=2 272 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100000210202 [0,1,0,0,0,0|1,0,0]=2 273 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_100000210202 [0,1,0,0,0,0|1,0,0]=2 274 B14R1.6722 CCOc1ccc(cc1C(F)(F)F)O 271570a_203496583355_100010187424 [0,1,0,0,0,0|3,0,0]=4 275 B14R1.6722 CCSc1ccc(cc1C(C)(C)C)O 62a_100000210202_200010201835 [0,1,0,0,0,0|0,1,0]=2 276 B14R1.6722 CCSc1ccc(cc1C(C)(C)C)O 62a_200010201835_100000210202 [0,1,0,0,0,0|0,1,0]=2 277 B14R1.6722 CNCc1ccc(cc1C(C)(C)C)Br 26a_100102657272_100000704011 [0,1,0,0,0,0|2,0,0]=3 278 B14R1.6722 CNCc1ccc(cc1C(C)(C)C)C 26a_100102657272_100000211090 [0,1,0,0,0,0|2,0,0]=3 279 B14R1.6722 CNCc1ccc(cc1C(C)(C)C)Cl 26a_100102657272_100012180897 [0,1,0,0,0,0|2,0,0]=3 280 B14R1.6722 Cc1ccc(c(c1)C(C)(C)C)OCF 34a_100000211090_100015361967 [0,1,0,0,0,0|1,0,0]=2 281 B14R1.6722 Cc1ccc(c(c1)C(C)(C)C)OCF 7a_100000211090_100015361967 [0,1,0,0,0,0|1,0,0]=2 282 B14R1.12511 CC(C)(C)c1cc(cc(c1N[13CH3])Br)Br 34a_100010291532_200025704644 [0,1,0,0,0,0|2,0,0]=3 283 B14R1.12511 CC(C)(C)c1cc(cc(c1N[13CH3])Br)Br 7a_100010291532_200025704644 [0,1,0,0,0,0|2,0,0]=3 284 B14R1.12511 CNc1c(cc(cc1C(C)(C)C)Br)Br 34a_100010291532_200000210301 [0,1,0,0,0,0|2,0,0]=3 285 B14R1.12511 CNc1c(cc(cc1C(C)(C)C)Br)Br 7a_100010291532_200000210301 [0,1,0,0,0,0|2,0,0]=3 286 B14R1.12511 COc1c(cc(cc1C(C)(C)C)C)C 34a_100000034471_200000210301 [0,1,0,0,0,0|1,0,0]=2 287 B14R1.12511 COc1c(cc(cc1C(C)(C)C)C)C 7a_100000034471_200000210301 [0,1,0,0,0,0|1,0,0]=2 288 B14R1.12511 Cc1cc(c(c(c1)C(C)(C)C)O[13CH3])C 34a_100000034471_200025704644 [0,1,0,0,0,0|1,0,0]=2 289 B14R1.12511 Cc1cc(c(c(c1)C(C)(C)C)O[13CH3])C 7a_100000034471_200025704644 [0,1,0,0,0,0|1,0,0]=2 290 B14R2.4536 CC1(CCNc2c1cc(cc2)O)C 271570a_203496583355_100016987449 [0,0,0,1,0,0|1,0,0]=2 291 B14R2.4536 CC1(CCSc2c1cc(cc2)O)C 271570a_203496583355_100010194334 [0,0,0,1,0,0|0,1,0]=2 292 B14R2.8732 CC1(CC(=O)c2c1cc(cc2)O)C 271570a_203496583355_100010990682 [0,0,0,1,0,0|2,0,0]=3 293 B12R1.67 CC(C)(C)n1nc(cc1O[13CH3])N 34a_100010286382_200025704644 [0,0,0,0,1,0|3,0,0]=4 294 B12R1.67 COc1cc(nn1C(C)(C)C)N 34a_100010286382_200000210301 [0,0,0,0,1,0|3,0,0]=4 295 B14R1.1866 C=Cc1ccc(cc1SC(C)(C)C)F 62a_100000211941_100012354420 [0,0,0,0,0,1|2,0,1]=4 296 B14R1.1866 C=Cc1ccc(cc1SC(C)(C)C)F 62a_100012354420_100000211941 [0,0,0,0,0,1|2,0,1]=4 297 B14R1.1866 CC(C)(C)Nc1cc(ccc1C#N)Cl 34a_100000211392_100000210625 [0,0,0,0,0,1|3,0,0]=4 298 B14R1.1866 CC(C)(C)Nc1cc(ccc1C#N)F 34a_100011935279_100000210625 [0,0,0,0,0,1|3,0,0]=4 299 B14R1.1866 CC(C)(C)Nc1cc(ccc1CO)Br 34a_100000718831_100000210625 [0,0,0,0,0,1|3,0,0]=4 300 B14R1.1866 CC(C)(C)Nc1cc(ccc1CO)Cl 34a_100000238622_100000210625 [0,0,0,0,0,1|3,0,0]=4 301 B14R1.1866 CC(C)(C)Nc1cc(ccc1CO)F 34a_100011996588_100000210625 [0,0,0,0,0,1|3,0,0]=4 302 B14R1.1866 CC(C)(C)Oc1cc(ccc1C#N)Br 34a_100011934713_100000210625 [0,0,0,0,0,1|3,0,0]=4 303 B14R1.1866 CC(C)(C)Oc1cc(ccc1C#N)Cl 34a_100000688488_100000210625 [0,0,0,0,0,1|3,0,0]=4 304 B14R1.1866 CC(C)(C)Oc1cc(ccc1C#N)F 34a_100012185923_100000210625 [0,0,0,0,0,1|3,0,0]=4 305 B14R1.1866 CC(C)(C)Oc1cc(ccc1C#N)N 34a_100000094571_100000210625 [0,0,0,0,0,1|3,0,0]=4 306 B14R1.1866 CC(C)(C)Oc1cc(ccc1CO)Br 34a_100000071718_100000210625 [0,0,0,0,0,1|3,0,0]=4 307 B14R1.1866 CC(C)(C)Sc1cc(ccc1C#N)Br 62a_100000211941_100010214477 [0,0,0,0,0,1|3,0,0]=4 308 B14R1.1866 CC(C)(C)Sc1cc(ccc1C#N)Cl 62a_100000211941_100012355178 [0,0,0,0,0,1|3,0,0]=4 309 B14R1.1866 CC(C)(C)Sc1cc(ccc1C#N)F 62a_100000211941_100011935285 [0,0,0,0,0,1|3,0,0]=4 310 B14R1.1866 CC(C)(C)Sc1cc(ccc1C#N)N 62a_100000211941_100000689153 [0,0,0,0,0,1|3,0,0]=4 311 B14R1.1866 CC(C)(C)Sc1cc(ccc1C#N)O 62a_100000211941_100012184851 [0,0,0,0,0,1|2,0,0]=3 312 B14R1.1866 CC(C)(C)Sc1cc(ccc1C=O)Br 62a_100000211941_100010146562 [0,0,0,0,0,1|3,0,0]=4 313 B14R1.1866 CC(C)(C)Sc1cc(ccc1C=O)Br 62a_100010146562_100000211941 [0,0,0,0,0,1|3,0,0]=4 314 B14R1.1866 CC(C)(C)Sc1cc(ccc1C=O)F 62a_100000211941_100000752949 [0,0,0,0,0,1|3,0,0]=4 315 B14R1.1866 CC(C)(C)Sc1cc(ccc1C=O)F 62a_100000752949_100000211941 [0,0,0,0,0,1|3,0,0]=4 316 B14R1.1866 CC(C)(C)Sc1cc(ccc1C=O)O 62a_100000211941_100011236494 [0,0,0,0,0,1|2,0,0]=3 317 B14R1.1866 CC(C)(C)Sc1cc(ccc1C=O)O 62a_100011236494_100000211941 [0,0,0,0,0,1|2,0,0]=3 318 B14R1.1866 CC(C)(C)Sc1cc(ccc1CN)F 62a_100000211941_100000708791 [0,0,0,0,0,1|3,0,0]=4 319 B14R1.1866 CC(C)(C)Sc1cc(ccc1CN)F 62a_100000708791_100000211941 [0,0,0,0,0,1|3,0,0]=4 320 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)Br 62a_100000211941_100010146605 [0,0,0,0,0,1|3,0,0]=4 321 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)Br 62a_100010146605_100000211941 [0,0,0,0,0,1|3,0,0]=4 322 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)Cl 62a_100000211941_100000722340 [0,0,0,0,0,1|3,0,0]=4 323 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)Cl 62a_100000722340_100000211941 [0,0,0,0,0,1|3,0,0]=4 324 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)F 62a_100000211941_100000744086 [0,0,0,0,0,1|3,0,0]=4 325 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)F 62a_100000744086_100000211941 [0,0,0,0,0,1|3,0,0]=4 326 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)O 62a_100000211941_100010146404 [0,0,0,0,0,1|2,0,0]=3 327 B14R1.1866 CC(C)(C)Sc1cc(ccc1CO)O 62a_100010146404_100000211941 [0,0,0,0,0,1|2,0,0]=3 328 B14R1.1866 CC(C)(C)Sc1cc(cnc1C#N)O 62a_100000211941_200015293162 [0,0,0,0,0,1|3,0,0]=4 329 B14R1.1866 CCc1ccc(cc1NC(C)(C)C)Br 34a_100012354963_100000210625 [0,0,0,0,0,1|2,0,0]=3 330 B14R1.1866 CCc1ccc(cc1NC(C)(C)C)Cl 34a_200012281948_100000210625 [0,0,0,0,0,1|2,0,0]=3 331 B14R1.1866 CCc1cnc(cc1SC(C)(C)C)C 62a_100000211941_100010291839 [0,0,0,0,0,1|3,0,0]=4 332 B14R1.1866 CCc1cnc(cc1SC(C)(C)C)C 62a_100010291839_100000211941 [0,0,0,0,0,1|3,0,0]=4 333 B14R1.1866 CCc1ncc(cc1SC(C)(C)C)N 62a_100000211941_100013085292 [0,0,0,0,0,1|3,0,0]=4 334 B14R1.1866 CCc1ncc(cc1SC(C)(C)C)N 62a_100013085292_100000211941 [0,0,0,0,0,1|3,0,0]=4 335 B14R1.1866 CNc1ccc(cc1SC(C)(C)C)C 62a_100000211941_100000221369 [0,0,0,0,0,1|2,0,0]=3 336 B14R1.1866 CNc1ccc(cc1SC(C)(C)C)C 62a_100000221369_100000211941 [0,0,0,0,0,1|2,0,0]=3 337 B14R1.1866 CNc1ccc(cc1SC(C)(C)C)F 62a_100000211941_100011246292 [0,0,0,0,0,1|2,0,0]=3 338 B14R1.1866 CNc1ccc(cc1SC(C)(C)C)F 62a_100011246292_100000211941 [0,0,0,0,0,1|2,0,0]=3 339 B14R1.1866 COc1c[nH]c(=O)cc1SC(C)(C)C 62a_100000211941_100121573661 [0,0,0,0,0,1|1,0,1]=3 340 B14R1.1866 COc1c[nH]c(=O)cc1SC(C)(C)C 62a_100121573661_100000211941 [0,0,0,0,0,1|1,0,1]=3 341 B14R1.1866 COc1ccc(cc1NC(C)(C)C)Br 34a_100000743470_100000210625 [0,0,0,0,0,1|1,0,0]=2 342 B14R1.1866 COc1ccc(cc1NC(C)(C)C)C 34a_100000210980_100000210625 [0,0,0,0,0,1|1,0,0]=2 343 B14R1.1866 COc1ccc(cc1NC(C)(C)C)Cl 34a_100000182114_100000210625 [0,0,0,0,0,1|1,0,0]=2 344 B14R1.1866 COc1ccc(cc1NC(C)(C)C)F 34a_100000757179_100000210625 [0,0,0,0,0,1|1,0,0]=2 345 B14R1.1866 COc1ccc(cc1OC(C)(C)C)Br 34a_100009816560_100000210625 [0,0,0,0,0,1|1,0,0]=2 346 B14R1.1866 COc1ccc(cc1OC(C)(C)C)C 34a_100011216497_100000210625 [0,0,0,0,0,1|1,0,0]=2 347 B14R1.1866 COc1ccc(cc1OC(C)(C)C)Cl 34a_100000101779_100000210625 [0,0,0,0,0,1|1,0,0]=2 348 B14R1.1866 COc1ccc(cc1OC(C)(C)C)F 34a_100000034962_100000210625 [0,0,0,0,0,1|1,0,0]=2 349 B14R1.1866 COc1ccc(cc1OC(C)(C)C)N 34a_100000211920_100000210625 [0,0,0,0,0,1|1,0,0]=2 350 B14R1.1866 COc1ccc(cc1OC(F)(F)F)O 271570a_203496583355_100009815864 [0,0,0,0,0,1|3,0,0]=4 351 B14R1.1866 COc1ccc(cc1OS(=O)(=O)C)O 271570a_203496583355_200010212295 [0,0,0,0,0,1|3,0,0]=4 352 B14R1.1866 COc1ccc(cc1SC(C)(C)C)Br 62a_100000211941_100012351588 [0,0,0,0,0,1|1,0,0]=2 353 B14R1.1866 COc1ccc(cc1SC(C)(C)C)Br 62a_100012351588_100000211941 [0,0,0,0,0,1|1,0,0]=2 354 B14R1.1866 COc1ccc(cc1SC(C)(C)C)C 62a_100000186399_100000211941 [0,0,0,0,0,1|1,0,0]=2 355 B14R1.1866 COc1ccc(cc1SC(C)(C)C)C 62a_100000211941_100000186399 [0,0,0,0,0,1|1,0,0]=2 356 B14R1.1866 COc1ccc(cc1SC(C)(C)C)Cl 62a_100000211941_100011215930 [0,0,0,0,0,1|1,0,0]=2 357 B14R1.1866 COc1ccc(cc1SC(C)(C)C)Cl 62a_100011215930_100000211941 [0,0,0,0,0,1|1,0,0]=2 358 B14R1.1866 COc1ccc(cc1SC(C)(C)C)F 62a_100000171694_100000211941 [0,0,0,0,0,1|1,0,0]=2 359 B14R1.1866 COc1ccc(cc1SC(C)(C)C)F 62a_100000211941_100000171694 [0,0,0,0,0,1|1,0,0]=2 360 B14R1.1866 COc1ccc(cc1SC(C)(C)C)N 62a_100000211941_100011356947 [0,0,0,0,0,1|1,0,0]=2 361 B14R1.1866 COc1ccc(cc1SC(C)(C)C)N 62a_100011356947_100000211941 [0,0,0,0,0,1|1,0,0]=2 362 B14R1.1866 COc1ccc(cc1SC(C)(C)C)O 62a_100000211941_100010234764 [0,0,0,0,0,1|0,0,0]=1 363 B14R1.1866 COc1ccc(cc1SC(C)(C)C)O 62a_100010234764_100000211941 [0,0,0,0,0,1|0,0,0]=1 364 B14R1.1866 COc1ccc(cc1SC(F)(F)F)O 62a_100010234764_200103152311 [0,0,0,0,0,1|3,0,0]=4 365 B14R1.1866 COc1ccc(cc1SC(F)(F)F)O 62a_200000243211_100010234764 [0,0,0,0,0,1|3,0,0]=4 366 B14R1.1866 COc1ccc(nc1SC(C)(C)C)C 62a_100000211941_100009820875 [0,0,0,0,0,1|2,0,0]=3 367 B14R1.1866 COc1ccc(nc1SC(C)(C)C)C 62a_100009820875_100000211941 [0,0,0,0,0,1|2,0,0]=3 368 B14R1.1866 COc1ccc(nc1SC(C)(C)C)N 62a_100000211941_100010172607 [0,0,0,0,0,1|2,0,0]=3 369 B14R1.1866 COc1ccc(nc1SC(C)(C)C)N 62a_100010172607_100000211941 [0,0,0,0,0,1|2,0,0]=3 370 B14R1.1866 COc1cnc(cc1OC(C)(C)C)Br 34a_100010264082_100000210625 [0,0,0,0,0,1|2,0,0]=3 371 B14R1.1866 COc1cnc(cc1OC(C)(C)C)Cl 34a_100009849459_100000210625 [0,0,0,0,0,1|2,0,0]=3 372 B14R1.1866 COc1cnc(cc1SC(C)(C)C)C 62a_100000211941_100010109759 [0,0,0,0,0,1|2,0,0]=3 373 B14R1.1866 COc1cnc(cc1SC(C)(C)C)C 62a_100010109759_100000211941 [0,0,0,0,0,1|2,0,0]=3 374 B14R1.1866 COc1ncc(cc1OC(C)(C)C)Br 34a_100010135713_100000210625 [0,0,0,0,0,1|2,0,0]=3 375 B14R1.1866 COc1ncc(cc1SC(C)(C)C)Br 62a_100000211941_100009814608 [0,0,0,0,0,1|2,0,0]=3 376 B14R1.1866 COc1ncc(cc1SC(C)(C)C)Br 62a_100009814608_100000211941 [0,0,0,0,0,1|2,0,0]=3 377 B14R1.1866 COc1ncc(cc1SC(C)(C)C)C 62a_100000211941_100012353929 [0,0,0,0,0,1|2,0,0]=3 378 B14R1.1866 COc1ncc(cc1SC(C)(C)C)C 62a_100012353929_100000211941 [0,0,0,0,0,1|2,0,0]=3 379 B14R1.1866 COc1ncc(cc1SC(C)(C)C)F 62a_100000211941_100009828472 [0,0,0,0,0,1|2,0,0]=3 380 B14R1.1866 COc1ncc(cc1SC(C)(C)C)F 62a_100009828472_100000211941 [0,0,0,0,0,1|2,0,0]=3 381 B14R1.1866 COc1ncc(cc1SC(C)(C)C)N 62a_100000211941_100012351452 [0,0,0,0,0,1|2,0,0]=3 382 B14R1.1866 COc1ncc(cc1SC(C)(C)C)N 62a_100012351452_100000211941 [0,0,0,0,0,1|2,0,0]=3 383 B14R1.1866 COc1nnc(cc1SC(C)(C)C)Cl 62a_100000211941_100000725446 [0,0,0,0,0,1|3,0,0]=4 384 B14R1.1866 COc1nnc(cc1SC(C)(C)C)Cl 62a_100000725446_100000211941 [0,0,0,0,0,1|3,0,0]=4 385 B14R1.1866 CSc1ccc(cc1NC(C)(C)C)Cl 34a_100000745667_100000210625 [0,0,0,0,0,1|1,1,0]=3 386 B14R1.1866 CSc1ccc(cc1SC(C)(C)C)C 62a_100000211941_200010201864 [0,0,0,0,0,1|1,1,0]=3 387 B14R1.1866 CSc1ccc(cc1SC(C)(C)C)C 62a_200010201864_100000211941 [0,0,0,0,0,1|1,1,0]=3 388 B14R1.1866 CSc1ccc(cc1SC(C)(C)C)F 62a_100000211941_100009817003 [0,0,0,0,0,1|1,1,0]=3 389 B14R1.1866 CSc1ccc(cc1SC(C)(C)C)F 62a_100009817003_100000211941 [0,0,0,0,0,1|1,1,0]=3 390 B14R1.1866 Cc1ccc(c(c1)NC(C)(C)C)C#N 34a_100011218341_100000210625 [0,0,0,0,0,1|3,0,0]=4 391 B14R1.1866 Cc1ccc(c(c1)NC(C)(C)C)CO 34a_100000087799_100000210625 [0,0,0,0,0,1|3,0,0]=4 392 B14R1.1866 Cc1ccc(c(c1)OC(C)(C)C)C#N 34a_100011640519_100000210625 [0,0,0,0,0,1|3,0,0]=4 393 B14R1.1866 Cc1ccc(c(c1)SC(C)(C)C)C#N 62a_100000211941_100000693804 [0,0,0,0,0,1|3,0,0]=4 394 B14R1.1866 Cc1ccc(c(c1)SC(C)(C)C)C=O 62a_100000211941_100011935181 [0,0,0,0,0,1|3,0,0]=4 395 B14R1.1866 Cc1ccc(c(c1)SC(C)(C)C)C=O 62a_100011935181_100000211941 [0,0,0,0,0,1|3,0,0]=4 396 B14R1.1866 Cc1ccc(c(c1)SC(C)(C)C)NN 62a_100000211941_100016996181 [0,0,0,0,0,1|3,0,0]=4 397 B14R1.1866 Cc1ccc(c(c1)SC(C)(C)C)NN 62a_100016996181_100000211941 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [2,0,0,0,0,0|0,0,2]=4 399 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [2,0,0,0,0,0|2,0,0]=4 400 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [2,0,0,0,0,0|2,0,0]=4 401 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [2,0,0,0,0,0|2,0,0]=4 402 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [2,0,0,0,0,0|2,0,0]=4 403 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [2,0,0,0,0,0|2,0,0]=4 404 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [2,0,0,0,0,0|2,0,0]=4 405 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [2,0,0,0,0,0|2,0,0]=4 406 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [2,0,0,0,0,0|2,0,0]=4 407 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [2,0,0,0,0,0|2,0,0]=4 408 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [2,0,0,0,0,0|2,0,0]=4 409 B11R1.37 CCc1cc(ccc1NN)O 271570a_203496583355_100000700371 [2,0,0,0,0,0|2,0,0]=4 410 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [2,0,0,0,0,0|2,0,0]=4 411 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [2,0,0,0,0,0|2,0,0]=4 412 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [2,0,0,0,0,0|2,0,0]=4 413 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [2,0,0,0,0,0|2,0,0]=4 414 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [2,0,0,0,0,0|2,0,0]=4 415 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [2,0,0,0,0,0|2,0,0]=4 416 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [2,0,0,0,0,0|2,0,0]=4 417 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [2,0,0,0,0,0|2,0,0]=4 418 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [2,0,0,0,0,0|2,0,0]=4 419 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [2,0,0,0,0,0|1,0,0]=3 420 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [2,0,0,0,0,0|1,0,0]=3 421 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [2,0,0,0,0,0|1,0,0]=3 422 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [2,0,0,0,0,0|1,0,0]=3 423 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [2,0,0,0,0,0|1,0,0]=3 424 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [2,0,0,0,0,0|1,0,0]=3 425 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [2,0,0,0,0,0|0,0,0]=2 426 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [2,0,0,0,0,0|1,0,0]=3 427 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [2,0,0,0,0,0|1,0,0]=3 428 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [2,0,0,0,0,0|1,0,0]=3 429 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [2,0,0,0,0,0|1,0,0]=3 430 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [2,0,0,0,0,0|1,0,0]=3 431 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [2,0,0,0,0,0|1,0,0]=3 432 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [2,0,0,0,0,0|1,1,0]=4 433 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [2,0,0,0,0,0|1,1,0]=4 434 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [2,0,0,0,0,0|1,1,0]=4 435 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [2,0,0,0,0,0|1,1,0]=4 436 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [2,0,0,0,0,0|1,1,0]=4 437 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [2,0,0,0,0,0|1,1,0]=4 438 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [2,0,0,0,0,0|1,1,0]=4 439 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [2,0,0,0,0,0|1,1,0]=4 440 B11R1.37 CCc1ccc(cc1CO)O 271570a_203496583355_100010766240 [2,0,0,0,0,0|2,0,0]=4 441 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [2,0,0,0,0,0|2,0,0]=4 442 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [2,0,0,0,0,0|2,0,0]=4 443 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [2,0,0,0,0,0|2,0,0]=4 444 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [2,0,0,0,0,0|2,0,0]=4 445 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [2,0,0,0,0,0|2,0,0]=4 446 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [2,0,0,0,0,0|2,0,0]=4 447 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [2,0,0,0,0,0|2,0,0]=4 448 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [2,0,0,0,0,0|2,0,0]=4 449 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [2,0,0,0,0,0|2,0,0]=4 450 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [2,0,0,0,0,0|2,0,0]=4 451 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [2,0,0,0,0,0|2,0,0]=4 452 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [2,0,0,0,0,0|2,0,0]=4 453 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [2,0,0,0,0,0|2,0,0]=4 454 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [2,0,0,0,0,0|2,0,0]=4 455 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [2,0,0,0,0,0|2,0,0]=4 456 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [2,0,0,0,0,0|2,0,0]=4 457 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [2,0,0,0,0,0|2,0,0]=4 458 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [2,0,0,0,0,0|2,0,0]=4 459 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [2,0,0,0,0,0|2,0,0]=4 460 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [2,0,0,0,0,0|2,0,0]=4 461 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [2,0,0,0,0,0|1,1,0]=4 462 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [2,0,0,0,0,0|1,1,0]=4 463 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [2,0,0,0,0,0|1,1,0]=4 464 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [2,0,0,0,0,0|2,0,0]=4 465 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [2,0,0,0,0,0|1,0,1]=4 466 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [2,0,0,0,0,0|1,0,1]=4 467 B11R1.37 COc1ccc(cc1CBr)F 34a_100010161318_200000210301 [2,0,0,0,0,0|2,0,0]=4 468 B11R1.37 COc1ccc(cc1CBr)F 7a_100010161318_200000210301 [2,0,0,0,0,0|2,0,0]=4 469 B11R1.37 COc1ccc(cc1CN)Br 34a_100000730032_200000210301 [2,0,0,0,0,0|2,0,0]=4 470 B11R1.37 COc1ccc(cc1CN)Cl 34a_100000238540_200000210301 [2,0,0,0,0,0|2,0,0]=4 471 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [2,0,0,0,0,0|1,0,0]=3 472 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [2,0,0,0,0,0|2,0,0]=4 473 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [2,0,0,0,0,0|2,0,0]=4 474 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [2,0,0,0,0,0|2,0,0]=4 475 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [2,0,0,0,0,0|2,0,0]=4 476 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [2,0,0,0,0,0|2,0,0]=4 477 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [2,0,0,0,0,0|2,0,0]=4 478 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [2,0,0,0,0,0|2,0,0]=4 479 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [2,0,0,0,0,0|2,0,0]=4 480 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [2,0,0,0,0,0|2,0,0]=4 481 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [2,0,0,0,0,0|2,0,0]=4 482 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [2,0,0,0,0,0|1,0,0]=3 483 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [2,0,0,0,0,0|2,0,0]=4 484 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [2,0,0,0,0,0|2,0,0]=4 485 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [2,0,0,0,0,0|2,0,0]=4 486 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [2,0,0,0,0,0|2,0,0]=4 487 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [2,0,0,0,0,0|2,0,0]=4 488 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [2,0,0,0,0,0|2,0,0]=4 489 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [2,0,0,0,0,0|2,0,0]=4 490 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [2,0,0,0,0,0|2,0,0]=4 491 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [2,0,0,0,0,0|2,0,0]=4 492 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [2,0,0,0,0,0|2,0,0]=4 493 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [2,0,0,0,0,0|2,0,0]=4 494 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [2,0,0,0,0,0|2,0,0]=4 495 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [2,0,0,0,0,0|2,0,0]=4 496 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [2,0,0,0,0,0|2,0,0]=4 497 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [2,0,0,0,0,0|2,0,0]=4 498 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [2,0,0,0,0,0|2,0,0]=4 499 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [2,0,0,0,0,0|2,0,0]=4 500 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [2,0,0,0,0,0|2,0,0]=4 501 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [2,0,0,0,0,0|2,0,0]=4 502 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [2,0,0,0,0,0|2,0,0]=4 503 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [2,0,0,0,0,0|2,0,0]=4 504 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [2,0,0,0,0,0|2,0,0]=4 505 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [2,0,0,0,0,0|1,0,0]=3 506 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [2,0,0,0,0,0|2,0,0]=4 507 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [2,0,0,0,0,0|2,0,0]=4 508 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [2,0,0,0,0,0|2,0,0]=4 509 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [2,0,0,0,0,0|2,0,0]=4 510 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [2,0,0,0,0,0|2,0,0]=4 511 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [2,0,0,0,0,0|2,0,0]=4 512 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [2,0,0,0,0,0|2,0,0]=4 513 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [2,0,0,0,0,0|2,0,0]=4 514 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [2,0,0,0,0,0|2,0,0]=4 515 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [2,0,0,0,0,0|2,0,0]=4 516 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [2,0,0,0,0,0|2,0,0]=4 517 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [2,0,0,0,0,0|2,0,0]=4 518 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [2,0,0,0,0,0|2,0,0]=4 519 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [2,0,0,0,0,0|2,0,0]=4 520 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [2,0,0,0,0,0|2,0,0]=4 521 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [2,0,0,0,0,0|2,0,0]=4 522 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [2,0,0,0,0,0|2,0,0]=4 523 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [2,0,0,0,0,0|2,0,0]=4 524 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [2,0,0,0,0,0|2,0,0]=4 525 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [2,0,0,0,0,0|1,0,0]=3 526 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [2,0,0,0,0,0|1,0,0]=3 527 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [2,0,0,0,0,0|1,0,0]=3 528 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [2,0,0,0,0,0|2,0,0]=4 529 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [2,0,0,0,0,0|2,0,0]=4 530 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [2,0,0,0,0,0|2,0,0]=4 531 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [2,0,0,0,0,0|2,0,0]=4 532 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [2,0,0,0,0,0|2,0,0]=4 533 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [2,0,0,0,0,0|2,0,0]=4 534 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [2,0,0,0,0,0|2,0,0]=4 535 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [2,0,0,0,0,0|2,0,0]=4 536 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [2,0,0,0,0,0|2,0,0]=4 537 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [2,0,0,0,0,0|2,0,0]=4 538 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [2,0,0,0,0,0|1,0,0]=3 539 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [2,0,0,0,0,0|1,0,0]=3 540 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [2,0,0,0,0,0|2,0,0]=4 541 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [2,0,0,0,0,0|2,0,0]=4 542 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [2,0,0,0,0,0|1,1,0]=4 543 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [2,0,0,0,0,0|1,1,0]=4 544 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [2,0,0,0,0,0|2,0,0]=4 545 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [2,0,0,0,0,0|2,0,0]=4 546 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 34a_100010161318_200025704644 [2,0,0,0,0,0|2,0,0]=4 547 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 7a_100010161318_200025704644 [2,0,0,0,0,0|2,0,0]=4 548 B11R1.37 [13CH3]Oc1ccc(cc1CN)Br 34a_100000730032_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B11R1.37 [13CH3]Oc1ccc(cc1CN)Cl 34a_100000238540_200025704644 [2,0,0,0,0,0|2,0,0]=4 550 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [2,0,0,0,0,0|2,0,0]=4 551 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [2,0,0,0,0,0|2,0,0]=4 552 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [2,0,0,0,0,0|2,0,0]=4 553 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [2,0,0,0,0,0|2,0,0]=4 554 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [2,0,0,0,0,0|2,0,0]=4 555 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [2,0,0,0,0,0|2,0,0]=4 556 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [2,0,0,0,0,0|2,0,0]=4 557 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [2,0,0,0,0,0|2,0,0]=4 558 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [2,0,0,0,0,0|1,1,0]=4 559 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [2,0,0,0,0,0|1,1,0]=4 560 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [2,0,0,0,0,0|0,0,2]=4 561 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [2,0,0,0,0,0|1,0,1]=4 562 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [2,0,0,0,0,0|1,0,0]=3 563 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [2,0,0,0,0,0|1,0,0]=3 564 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [2,0,0,0,0,0|1,0,0]=3 565 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [2,0,0,0,0,0|0,0,0]=2 566 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [2,0,0,0,0,0|0,0,0]=2 567 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [2,0,0,0,0,0|0,1,0]=3 568 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [2,0,0,0,0,0|0,1,0]=3 569 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [2,0,0,0,0,0|1,1,0]=4 570 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [2,0,0,0,0,0|1,1,0]=4 571 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [2,0,0,0,0,0|1,0,0]=3 572 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [2,0,0,0,0,0|1,0,0]=3 573 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [2,0,0,0,0,0|1,1,0]=4 574 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [2,0,0,0,0,0|1,1,0]=4 575 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [2,0,0,0,0,0|2,0,0]=4 576 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [2,0,0,0,0,0|1,0,0]=3 577 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [2,0,0,0,0,0|1,0,0]=3 578 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [2,0,0,0,0,0|1,1,0]=4 579 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [2,0,0,0,0,0|1,1,0]=4 580 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [2,0,0,0,0,0|1,1,0]=4 581 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [2,0,0,0,0,0|1,1,0]=4 582 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [2,0,0,0,0,0|1,0,0]=3 583 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [2,0,0,0,0,0|1,0,0]=3 584 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [2,0,0,0,0,0|1,0,0]=3 585 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [2,0,0,0,0,0|2,0,0]=4 586 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [2,0,0,0,0,0|1,0,1]=4 587 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [2,0,0,0,0,0|1,0,1]=4 588 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [2,0,0,0,0,0|0,0,0]=2 589 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [2,0,0,0,0,0|0,0,0]=2 590 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [2,0,0,0,0,0|1,0,0]=3 591 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [2,0,0,0,0,0|1,0,0]=3 592 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [2,0,0,0,0,0|1,0,0]=3 593 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [2,0,0,0,0,0|1,0,0]=3 594 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [2,0,0,0,0,0|1,0,0]=3 595 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [2,0,0,0,0,0|1,0,0]=3 596 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [2,0,0,0,0,0|1,0,0]=3 597 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [2,0,0,0,0,0|1,0,0]=3 598 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [2,0,0,0,0,0|1,0,0]=3 599 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [2,0,0,0,0,0|1,0,0]=3 600 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [2,0,0,0,0,0|1,0,0]=3 601 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [2,0,0,0,0,0|0,1,0]=3 602 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [2,0,0,0,0,0|0,1,0]=3 603 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [2,0,0,0,0,0|1,1,0]=4 604 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [2,0,0,0,0,0|1,1,0]=4 605 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [2,0,0,0,0,0|1,1,0]=4 606 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [2,0,0,0,0,0|1,1,0]=4 607 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [2,0,0,0,0,0|1,1,0]=4 608 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [2,0,0,0,0,0|1,1,0]=4 609 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [2,0,0,0,0,0|1,1,0]=4 610 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [2,0,0,0,0,0|1,1,0]=4 611 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [2,0,0,0,0,0|1,0,0]=3 612 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [2,0,0,0,0,0|0,0,2]=4 613 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [2,0,0,0,0,0|0,0,2]=4 614 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [2,0,0,0,0,0|1,0,1]=4 615 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [2,0,0,0,0,0|1,0,1]=4 616 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [2,0,0,0,0,0|1,0,1]=4 617 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [2,0,0,0,0,0|1,0,1]=4 618 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [2,0,0,0,0,0|1,0,0]=3 619 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [2,0,0,0,0,0|1,0,0]=3 620 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [2,0,0,0,0,0|1,0,0]=3 621 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [2,0,0,0,0,0|0,0,0]=2 622 B11R1.167 CC(C)n1cc(ccc1=O)O 271570a_203496583355_100016995121 [2,0,0,0,0,0|1,0,1]=4 623 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [2,0,0,0,0,0|2,0,0]=4 624 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [2,0,0,0,0,0|2,0,0]=4 625 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [2,0,0,0,0,0|2,0,0]=4 626 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [2,0,0,0,0,0|1,0,0]=3 627 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [2,0,0,0,0,0|2,0,0]=4 628 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [2,0,0,0,0,0|1,0,1]=4 629 B11R1.167 Cc1ccc(cc1N(C)C)Br 2230a_100020629602_200000210301 [2,0,0,0,0,0|2,0,0]=4 630 B11R1.167 Cc1ccc(cc1N(C)C)Br 269982a_100020629602_200000210301 [2,0,0,0,0,0|2,0,0]=4 631 B11R1.167 Cc1ccc(cc1N(C)C)Br 34a_100020629602_200000210301 [2,0,0,0,0,0|2,0,0]=4 632 B11R1.167 Cc1ccc(cc1N(C)C)Br 38a_100020629602_200000210301 [2,0,0,0,0,0|2,0,0]=4 633 B11R1.167 Cc1ccc(cc1N(C)C)Cl 2230a_100000221440_200000210301 [2,0,0,0,0,0|2,0,0]=4 634 B11R1.167 Cc1ccc(cc1N(C)C)Cl 269982a_100000221440_200000210301 [2,0,0,0,0,0|2,0,0]=4 635 B11R1.167 Cc1ccc(cc1N(C)C)Cl 34a_100000221440_200000210301 [2,0,0,0,0,0|2,0,0]=4 636 B11R1.167 Cc1ccc(cc1N(C)C)Cl 38a_100000221440_200000210301 [2,0,0,0,0,0|2,0,0]=4 637 B11R1.167 Cc1ccc(cc1N(C)C)F 2230a_114849113390_200000210301 [2,0,0,0,0,0|2,0,0]=4 638 B11R1.167 Cc1ccc(cc1N(C)C)F 269982a_114849113390_200000210301 [2,0,0,0,0,0|2,0,0]=4 639 B11R1.167 Cc1ccc(cc1N(C)C)F 34a_114849113390_200000210301 [2,0,0,0,0,0|2,0,0]=4 640 B11R1.167 Cc1ccc(cc1N(C)C)F 38a_114849113390_200000210301 [2,0,0,0,0,0|2,0,0]=4 641 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 2230a_100020629602_200025704644 [2,0,0,0,0,0|2,0,0]=4 642 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 269982a_100020629602_200025704644 [2,0,0,0,0,0|2,0,0]=4 643 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 34a_100020629602_200025704644 [2,0,0,0,0,0|2,0,0]=4 644 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 38a_100020629602_200025704644 [2,0,0,0,0,0|2,0,0]=4 645 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 2230a_100000221440_200025704644 [2,0,0,0,0,0|2,0,0]=4 646 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 269982a_100000221440_200025704644 [2,0,0,0,0,0|2,0,0]=4 647 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 34a_100000221440_200025704644 [2,0,0,0,0,0|2,0,0]=4 648 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 38a_100000221440_200025704644 [2,0,0,0,0,0|2,0,0]=4 649 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 2230a_114849113390_200025704644 [2,0,0,0,0,0|2,0,0]=4 650 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 269982a_114849113390_200025704644 [2,0,0,0,0,0|2,0,0]=4 651 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 34a_114849113390_200025704644 [2,0,0,0,0,0|2,0,0]=4 652 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 38a_114849113390_200025704644 [2,0,0,0,0,0|2,0,0]=4 653 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [2,0,0,0,0,0|1,0,1]=4 654 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [2,0,0,0,0,0|0,0,0]=2 655 B11R1.87 CC(C)(C)c1ncncc1O 271570a_203496583355_200010089871 [2,0,0,0,0,0|2,0,0]=4 656 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [2,0,0,0,0,0|1,0,0]=3 657 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [2,0,0,0,0,0|1,0,0]=3 658 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [2,0,0,0,0,0|2,0,0]=4 659 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [2,0,0,0,0,0|2,0,0]=4 660 B11R1.87 CC(F)(F)c1ccccc1O 271570a_203496583355_100010220483 [2,0,0,0,0,0|2,0,0]=4 661 B11R1.155 CC(C)(C)c1cc(ccn1)O 271570a_203496583355_100010237918 [2,0,0,0,0,0|1,0,0]=3 662 B11R1.155 CC(C)(C)c1cccc(c1)O 271570a_203496583355_100009816526 [2,0,0,0,0,0|0,0,0]=2 663 B11R1.155 CC(C)(C)c1cccc(n1)O 271570a_203496583355_100010205033 [2,0,0,0,0,0|1,0,0]=3 664 B11R1.155 CC(C)(C)c1ccnc(c1)O 271570a_203496583355_100009878675 [2,0,0,0,0,0|1,0,0]=3 665 B11R1.155 CC(C)(C)c1ccnc(n1)O 271570a_203496583355_100009856131 [2,0,0,0,0,0|2,0,0]=4 666 B11R1.155 CC(C)(C)c1cncc(c1)O 271570a_203496583355_100010191215 [2,0,0,0,0,0|1,0,0]=3 667 B11R1.155 CC(C)(C)c1nccc(n1)O 271570a_203496583355_100000764180 [2,0,0,0,0,0|2,0,0]=4 668 B11R1.155 CC(C)(F)c1cc(ccn1)O 271570a_203496583355_100015973028 [2,0,0,0,0,0|2,0,0]=4 669 B11R1.155 CC(C)(N)c1cccc(c1)O 271570a_203496583355_100016995529 [2,0,0,0,0,0|1,0,0]=3 670 B11R1.155 CC(C)(O)c1cc(ccn1)O 271570a_203496583355_100010174121 [2,0,0,0,0,0|2,0,0]=4 671 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [2,0,0,0,0,0|1,0,0]=3 672 B11R1.155 CC(C)(O)c1cccc(n1)O 271570a_203496583355_100010074359 [2,0,0,0,0,0|2,0,0]=4 673 B11R1.155 CC(C)(O)c1cncc(c1)O 271570a_203496583355_100010080784 [2,0,0,0,0,0|2,0,0]=4 674 B11R1.155 CC(F)(F)c1cccc(c1)O 271570a_203496583355_100010232180 [2,0,0,0,0,0|2,0,0]=4 675 B11R1.155 C[Si](C)(C)c1cccc(c1)O 271570a_203496583355_100009816414 [2,0,0,0,0,0|0,1,0]=3 676 B13R1.141 CC(C)c1cc(ccc1NCF)Br 34a_100000694223_100015361967 [1,1,0,0,0,0|2,0,0]=4 677 B13R1.141 CC(C)c1cc(ccc1NCF)Br 7a_100000694223_100015361967 [1,1,0,0,0,0|2,0,0]=4 678 B13R1.141 CC(C)c1cc(ccc1NCF)F 34a_100011941472_100015361967 [1,1,0,0,0,0|2,0,0]=4 679 B13R1.141 CC(C)c1cc(ccc1NCF)F 7a_100011941472_100015361967 [1,1,0,0,0,0|2,0,0]=4 680 B13R1.141 CC(C)c1cc(ccc1OCF)Br 34a_100000691460_100015361967 [1,1,0,0,0,0|1,0,0]=3 681 B13R1.141 CC(C)c1cc(ccc1OCF)Br 7a_100000691460_100015361967 [1,1,0,0,0,0|1,0,0]=3 682 B13R1.141 CC(C)c1cc(ccc1SCF)Br 62a_100010244561_100015361967 [1,1,0,0,0,0|1,1,0]=4 683 B13R1.141 CC(C)c1cc(ccc1SCF)Br 62a_100015361967_100010244561 [1,1,0,0,0,0|1,1,0]=4 684 B13R1.141 CC(O)c1cc(ccc1OCF)F 34a_200011305312_100015361967 [1,1,0,0,0,0|2,0,0]=4 685 B13R1.141 CC(O)c1cc(ccc1OCF)F 7a_200011305312_100015361967 [1,1,0,0,0,0|2,0,0]=4 686 B13R1.141 CC=Cc1ccc(cc1C(C)C)Br 271570a_100016259895_100010244561 [1,1,0,0,0,0|2,0,0]=4 687 B13R1.141 CC=Cc1ccc(cc1N(C)C)O 271570a_100016259895_200010083878 [1,1,0,0,0,0|2,0,0]=4 688 B13R1.141 CCNc1ccc(cc1C(C)C)Br 2230a_100000694223_100000210202 [1,1,0,0,0,0|2,0,0]=4 689 B13R1.141 CCNc1ccc(cc1C(C)C)Br 34a_100000694223_100000210202 [1,1,0,0,0,0|2,0,0]=4 690 B13R1.141 CCNc1ccc(cc1C(C)C)Br 7a_100000694223_100000210202 [1,1,0,0,0,0|2,0,0]=4 691 B13R1.141 CCNc1ccc(cc1C(C)C)F 2230a_100011941472_100000210202 [1,1,0,0,0,0|2,0,0]=4 692 B13R1.141 CCNc1ccc(cc1C(C)C)F 34a_100011941472_100000210202 [1,1,0,0,0,0|2,0,0]=4 693 B13R1.141 CCNc1ccc(cc1C(C)C)F 7a_100011941472_100000210202 [1,1,0,0,0,0|2,0,0]=4 694 B13R1.141 CCOc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173016 [1,1,0,0,0,0|1,0,1]=4 695 B13R1.141 CCOc1ccc(cc1C(C)C)Br 34a_100000691460_100000210202 [1,1,0,0,0,0|1,0,0]=3 696 B13R1.141 CCOc1ccc(cc1C(C)C)Br 7a_100000691460_100000210202 [1,1,0,0,0,0|1,0,0]=3 697 B13R1.141 CCOc1ccc(cc1C(C)O)F 34a_200011305312_100000210202 [1,1,0,0,0,0|2,0,0]=4 698 B13R1.141 CCOc1ccc(cc1C(C)O)F 7a_200011305312_100000210202 [1,1,0,0,0,0|2,0,0]=4 699 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000210202 [1,1,0,0,0,0|2,0,0]=4 700 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000210202 [1,1,0,0,0,0|2,0,0]=4 701 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000210202 [1,1,0,0,0,0|2,0,0]=4 702 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000210202 [1,1,0,0,0,0|2,0,0]=4 703 B13R1.141 CCSc1ccc(cc1C(C)C)Br 62a_100000210202_100010244561 [1,1,0,0,0,0|1,1,0]=4 704 B13R1.141 CCSc1ccc(cc1C(C)C)Br 62a_100010244561_100000210202 [1,1,0,0,0,0|1,1,0]=4 705 B13R1.141 CCSc1ccc(cc1N(C)C)O 62a_100000210202_200010083878 [1,1,0,0,0,0|1,1,0]=4 706 B13R1.141 CN(C)c1cc(ccc1SCF)O 62a_100015361967_200010083878 [1,1,0,0,0,0|1,1,0]=4 707 B13R1.141 CNCc1ccc(cc1C(C)C)Br 26a_100102657272_100000691460 [1,1,0,0,0,0|2,0,0]=4 708 B13R1.141 C[C@@H](N)c1cc(ccc1OCF)Cl 34a_100011853016_100015361967 [1,1,0,0,0,0|2,0,0]=4 709 B13R1.141 C[C@@H](N)c1cc(ccc1OCF)Cl 7a_100011853016_100015361967 [1,1,0,0,0,0|2,0,0]=4 710 B13R1.141 C[C@H](N)c1cc(ccc1OCF)F 34a_100160469477_100015361967 [1,1,0,0,0,0|2,0,0]=4 711 B13R1.141 C[C@H](N)c1cc(ccc1OCF)F 7a_100160469477_100015361967 [1,1,0,0,0,0|2,0,0]=4 712 B13R1.165 C=C(C)c1ccc(cc1C(C)C)Br 271570a_100000694244_100010244561 [1,1,0,0,0,0|2,0,0]=4 713 B13R1.165 C=C(C)c1ccc(cc1N(C)C)O 271570a_100000694244_200010083878 [1,1,0,0,0,0|2,0,0]=4 714 B13R1.165 CC(C)c1cc(ccc1B(O)O)O 271570a_203496583355_100010732586 [1,1,0,0,0,0|2,0,0]=4 715 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [1,1,0,0,0,0|1,0,1]=4 716 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 240690a_100102657272_200000100057 [1,1,0,0,0,0|1,0,1]=4 717 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 527a_100102657272_200000100057 [1,1,0,0,0,0|1,0,1]=4 718 B13R1.2209 CNC(C)c1cc(ccc1OC)Br 269862a_106832991636_100000173343 [1,1,0,0,0,0|1,0,0]=3 719 B13R1.2209 CNC(C)c1cc(ccc1OC)C 269862a_106832991636_100000212259 [1,1,0,0,0,0|1,0,0]=3 720 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 2230a_100011217627_200000210301 [1,1,0,0,0,0|1,0,0]=3 721 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 269862a_106832991636_100000173345 [1,1,0,0,0,0|1,0,0]=3 722 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 34a_100011217627_200000210301 [1,1,0,0,0,0|1,0,0]=3 723 B13R1.2209 CNC(C)c1cc(ccc1OC)F 269862a_106832991636_100000173341 [1,1,0,0,0,0|1,0,0]=3 724 B13R1.2209 CNC(C)c1cc(cnc1OC)Br 269862a_106832991636_100010135678 [1,1,0,0,0,0|2,0,0]=4 725 B13R1.2209 COC(=O)c1cc(ccc1OC)O 271570a_203496583355_100012047238 [1,1,0,0,0,0|1,0,1]=4 726 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [1,1,0,0,0,0|1,0,1]=4 727 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 2230a_100011217627_200025704644 [1,1,0,0,0,0|1,0,0]=3 728 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 34a_100011217627_200025704644 [1,1,0,0,0,0|1,0,0]=3 729 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 34a_100011598618_200000210301 [1,1,0,0,0,0|1,0,0]=3 730 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 7a_100011598618_200000210301 [1,1,0,0,0,0|1,0,0]=3 731 B13R1.2209 COc1ccc(cc1C(C)OC)F 34a_100011305292_200000210301 [1,1,0,0,0,0|1,0,0]=3 732 B13R1.2209 COc1ccc(cc1C(C)OC)F 7a_100011305292_200000210301 [1,1,0,0,0,0|1,0,0]=3 733 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 34a_100011598618_200025704644 [1,1,0,0,0,0|1,0,0]=3 734 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 7a_100011598618_200025704644 [1,1,0,0,0,0|1,0,0]=3 735 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 34a_100011305292_200025704644 [1,1,0,0,0,0|1,0,0]=3 736 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 7a_100011305292_200025704644 [1,1,0,0,0,0|1,0,0]=3 737 B13R1.2398 COc1cc(c(cc1C(C)C)Cl)C 34a_100000211603_200000210301 [1,1,0,0,0,0|1,0,0]=3 738 B13R1.2398 COc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_200000210301 [1,1,0,0,0,0|1,0,0]=3 739 B13R1.2398 COc1cc(c(cc1C(C)C)N)C 34a_100000686282_200000210301 [1,1,0,0,0,0|1,0,0]=3 740 B13R1.2398 COc1cc(c(cc1C(C)C)N)C 7a_100000686282_200000210301 [1,1,0,0,0,0|1,0,0]=3 741 B13R1.2398 Cc1cc(c(cc1Cl)C(C)C)O[13CH3] 34a_100000211603_200025704644 [1,1,0,0,0,0|1,0,0]=3 742 B13R1.2398 Cc1cc(c(cc1Cl)C(C)C)O[13CH3] 7a_100000211603_200025704644 [1,1,0,0,0,0|1,0,0]=3 743 B13R1.2398 Cc1cc(c(cc1N)C(C)C)O[13CH3] 34a_100000686282_200025704644 [1,1,0,0,0,0|1,0,0]=3 744 B13R1.2398 Cc1cc(c(cc1N)C(C)C)O[13CH3] 7a_100000686282_200025704644 [1,1,0,0,0,0|1,0,0]=3 745 B13R1.2430 C=C(C)c1cc(ccc1OC)CO 271570a_100000694244_100000246451 [1,1,0,0,0,0|0,0,2]=4 746 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [1,1,0,0,0,0|0,0,2]=4 747 B13R1.2430 CC(C)c1cc(ccc1S[13CH3])C#N 62a_200025704644_100021510006 [1,1,0,0,0,0|1,1,0]=4 748 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_200000210301 [1,1,0,0,0,0|1,0,0]=3 749 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_200000210301 [1,1,0,0,0,0|1,0,0]=3 750 B13R1.2430 CNc1ccc(cc1C(C)C)C#N 27a_100102657272_100021510006 [1,1,0,0,0,0|2,0,0]=4 751 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [1,1,0,0,0,0|1,0,1]=4 752 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [1,1,0,0,0,0|1,0,1]=4 753 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [1,1,0,0,0,0|1,0,1]=4 754 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [1,1,0,0,0,0|1,0,1]=4 755 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [1,1,0,0,0,0|1,0,1]=4 756 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [1,1,0,0,0,0|1,0,1]=4 757 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [1,1,0,0,0,0|1,0,1]=4 758 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [1,1,0,0,0,0|1,0,1]=4 759 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 34a_100011998526_200000210301 [1,1,0,0,0,0|0,0,0]=2 760 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 7a_100011998526_200000210301 [1,1,0,0,0,0|0,0,0]=2 761 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 34a_100011998526_200025704644 [1,1,0,0,0,0|0,0,0]=2 762 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 7a_100011998526_200025704644 [1,1,0,0,0,0|0,0,0]=2 763 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 2230a_100000221073_200000210301 [1,1,0,0,0,0|1,0,0]=3 764 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 269982a_100000221073_200000210301 [1,1,0,0,0,0|1,0,0]=3 765 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 34a_100000221073_200000210301 [1,1,0,0,0,0|1,0,0]=3 766 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 2230a_100000221073_200025704644 [1,1,0,0,0,0|1,0,0]=3 767 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 269982a_100000221073_200025704644 [1,1,0,0,0,0|1,0,0]=3 768 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 34a_100000221073_200025704644 [1,1,0,0,0,0|1,0,0]=3 769 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200000210301_200015425320 [1,1,0,0,0,0|1,1,0]=4 770 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200015425320_200000210301 [1,1,0,0,0,0|1,1,0]=4 771 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200015425320_200025704644 [1,1,0,0,0,0|1,1,0]=4 772 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200025704644_200015425320 [1,1,0,0,0,0|1,1,0]=4 773 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [1,1,0,0,0,0|1,0,1]=4 774 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [1,1,0,0,0,0|1,0,1]=4 775 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 2230a_100025764739_200025704644 [1,1,0,0,0,0|1,0,0]=3 776 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 34a_100025764739_200025704644 [1,1,0,0,0,0|1,0,0]=3 777 B13R1.2430 CSc1ccc(cc1C(C)C)C#N 62a_200000210301_100021510006 [1,1,0,0,0,0|1,1,0]=4 778 B13R1.3255 CC(C)c1cc(cc(c1N[13CH3])Br)Br 34a_200010244484_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B13R1.3255 CC(C)c1cc(cc(c1N[13CH3])Br)Br 7a_200010244484_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B13R1.3255 CC(C)c1cc(cc(c1N[13CH3])Br)F 34a_202125602415_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B13R1.3255 CC(C)c1cc(cc(c1N[13CH3])Br)F 7a_202125602415_200025704644 [1,1,0,0,0,0|2,0,0]=4 782 B13R1.3255 CNc1c(cc(cc1C(C)C)Br)Br 34a_200010244484_200000210301 [1,1,0,0,0,0|2,0,0]=4 783 B13R1.3255 CNc1c(cc(cc1C(C)C)Br)Br 7a_200010244484_200000210301 [1,1,0,0,0,0|2,0,0]=4 784 B13R1.3255 CNc1c(cc(cc1C(C)C)F)Br 34a_202125602415_200000210301 [1,1,0,0,0,0|2,0,0]=4 785 B13R1.3255 CNc1c(cc(cc1C(C)C)F)Br 7a_202125602415_200000210301 [1,1,0,0,0,0|2,0,0]=4 786 B13R1.53 C=Cc1cc(ccc1C(C)(C)C)N 271570a_100011290941_100010219255 [1,1,0,0,0,0|1,0,1]=4 787 B13R1.53 CC(C)(C)c1ccc(cc1N[13CH3])Cl 34a_100000728049_200025704644 [1,1,0,0,0,0|1,0,0]=3 788 B13R1.53 CC(C)(C)c1ccc(cc1N[13CH3])Cl 7a_100000728049_200025704644 [1,1,0,0,0,0|1,0,0]=3 789 B13R1.53 CC(C)(C)c1ccc(cc1S[13CH3])N 62a_100010219255_200025704644 [1,1,0,0,0,0|0,1,0]=3 790 B13R1.53 CC(C)(C)c1ccc(cc1S[13CH3])N 62a_200025704644_100010219255 [1,1,0,0,0,0|0,1,0]=3 791 B13R1.53 CNc1cc(ccc1C(C)(C)C)Cl 34a_100000728049_200000210301 [1,1,0,0,0,0|1,0,0]=3 792 B13R1.53 CNc1cc(ccc1C(C)(C)C)Cl 7a_100000728049_200000210301 [1,1,0,0,0,0|1,0,0]=3 793 B13R1.53 COc1cc(ccc1C(C)(C)C)C 34a_100000212021_200000210301 [1,1,0,0,0,0|0,0,0]=2 794 B13R1.53 COc1cc(ccc1C(C)(C)C)C 7a_100000212021_200000210301 [1,1,0,0,0,0|0,0,0]=2 795 B13R1.53 CSc1cc(ccc1C(C)(C)C)N 62a_100010219255_200000210301 [1,1,0,0,0,0|0,1,0]=3 796 B13R1.53 CSc1cc(ccc1C(C)(C)C)N 62a_200000210301_100010219255 [1,1,0,0,0,0|0,1,0]=3 797 B13R1.53 Cc1ccc(c(c1)O[13CH3])C(C)(C)C 34a_100000212021_200025704644 [1,1,0,0,0,0|0,0,0]=2 798 B13R1.53 Cc1ccc(c(c1)O[13CH3])C(C)(C)C 7a_100000212021_200025704644 [1,1,0,0,0,0|0,0,0]=2 799 B13R1.108 CC(C)(C)c1cccc(c1O[13CH3])Br 34a_100010083445_200025704644 [1,1,0,0,0,0|0,0,0]=2 800 B13R1.108 CC(C)(C)c1cccc(c1O[13CH3])Br 7a_100010083445_200025704644 [1,1,0,0,0,0|0,0,0]=2 801 B13R1.108 CNc1c(cccc1C(C)(C)C)C 2230a_200000034881_200000210301 [1,1,0,0,0,0|1,0,0]=3 802 B13R1.108 CNc1c(cccc1C(C)(C)C)C 34a_200000034881_200000210301 [1,1,0,0,0,0|1,0,0]=3 803 B13R1.108 CNc1c(cccc1C(C)(C)C)C 7a_200000034881_200000210301 [1,1,0,0,0,0|1,0,0]=3 804 B13R1.108 COc1c(cccc1C(C)(C)C)Br 34a_100010083445_200000210301 [1,1,0,0,0,0|0,0,0]=2 805 B13R1.108 COc1c(cccc1C(C)(C)C)Br 7a_100010083445_200000210301 [1,1,0,0,0,0|0,0,0]=2 806 B13R1.108 COc1c(cccc1C(C)(C)C)C 34a_100000039572_200000210301 [1,1,0,0,0,0|0,0,0]=2 807 B13R1.108 COc1c(cccc1C(C)(C)C)C 7a_100000039572_200000210301 [1,1,0,0,0,0|0,0,0]=2 808 B13R1.108 COc1c(cccc1C(C)(C)C)O 271570a_203496583355_200010759305 [1,1,0,0,0,0|0,0,0]=2 809 B13R1.108 Cc1cccc(c1N[13CH3])C(C)(C)C 2230a_200000034881_200025704644 [1,1,0,0,0,0|1,0,0]=3 810 B13R1.108 Cc1cccc(c1N[13CH3])C(C)(C)C 34a_200000034881_200025704644 [1,1,0,0,0,0|1,0,0]=3 811 B13R1.108 Cc1cccc(c1N[13CH3])C(C)(C)C 7a_200000034881_200025704644 [1,1,0,0,0,0|1,0,0]=3 812 B13R1.108 Cc1cccc(c1O[13CH3])C(C)(C)C 34a_100000039572_200025704644 [1,1,0,0,0,0|0,0,0]=2 813 B13R1.108 Cc1cccc(c1O[13CH3])C(C)(C)C 7a_100000039572_200025704644 [1,1,0,0,0,0|0,0,0]=2 814 B13R1.349 C=C(C)c1ccccc1C(C)(C)C 271570a_100000694244_100012339570 [1,1,0,0,0,0|1,0,0]=3 815 B13R1.349 C=C(C)c1ccccc1C(C)(C)N 271570a_100000694244_100020606264 [1,1,0,0,0,0|2,0,0]=4 816 B13R1.349 C=C(C)c1ccccc1C(C)(C)O 271570a_100000694244_100011346021 [1,1,0,0,0,0|2,0,0]=4 817 B13R1.349 CC(=O)c1ccccc1C(C)(C)C 1458a_100000690655_200000210301 [1,1,0,0,0,0|1,0,0]=3 818 B13R1.349 CC(C)(C)c1ccccc1C(=O)[13CH3] 1458a_100000690655_200025704644 [1,1,0,0,0,0|1,0,0]=3 819 B13R1.381 C=C=Cc1ccccc1C(C)(C)C 271570a_100015277604_100012339570 [1,1,0,0,0,0|1,0,1]=4 820 B13R1.381 CC(C)(C)c1ccccc1NCF 34a_100000211005_100015361967 [1,1,0,0,0,0|1,0,0]=3 821 B13R1.381 CC(C)(C)c1ccccc1NCF 7a_100000211005_100015361967 [1,1,0,0,0,0|1,0,0]=3 822 B13R1.381 CC(C)(C)c1ccccc1OCF 34a_100000211619_100015361967 [1,1,0,0,0,0|0,0,0]=2 823 B13R1.381 CC(C)(C)c1ccccc1OCF 7a_100000211619_100015361967 [1,1,0,0,0,0|0,0,0]=2 824 B13R1.381 CC(C)(C)c1ccccc1SCF 62a_100012339570_100015361967 [1,1,0,0,0,0|0,1,0]=3 825 B13R1.381 CC(C)(C)c1ccccc1SCF 62a_100015361967_100012339570 [1,1,0,0,0,0|0,1,0]=3 826 B13R1.381 CC(C)(N)c1ccccc1SCF 62a_100015361967_100020606264 [1,1,0,0,0,0|1,1,0]=4 827 B13R1.381 CC(C)(N)c1ccccc1SCF 62a_100020606264_100015361967 [1,1,0,0,0,0|1,1,0]=4 828 B13R1.381 CC(C)(O)c1ccccc1NCF 34a_100000081495_100015361967 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.381 CC(C)(O)c1ccccc1NCF 7a_100000081495_100015361967 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.381 CC(C)(O)c1ccccc1SCF 62a_100011346021_100015361967 [1,1,0,0,0,0|1,1,0]=4 831 B13R1.381 CC(C)(O)c1ccccc1SCF 62a_100015361967_100011346021 [1,1,0,0,0,0|1,1,0]=4 832 B13R1.381 CC=Cc1ccccc1C(C)(C)C 271570a_100016259895_100012339570 [1,1,0,0,0,0|1,0,0]=3 833 B13R1.381 CC=Cc1ccccc1C(C)(C)N 271570a_100016259895_100020606264 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.381 CC=Cc1ccccc1C(C)(C)O 271570a_100016259895_100011346021 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.381 CCNc1ccccc1C(C)(C)C 2230a_100000211005_100000210202 [1,1,0,0,0,0|1,0,0]=3 836 B13R1.381 CCNc1ccccc1C(C)(C)C 34a_100000211005_100000210202 [1,1,0,0,0,0|1,0,0]=3 837 B13R1.381 CCNc1ccccc1C(C)(C)C 7a_100000211005_100000210202 [1,1,0,0,0,0|1,0,0]=3 838 B13R1.381 CCNc1ccccc1C(C)(C)O 34a_100000081495_100000210202 [1,1,0,0,0,0|2,0,0]=4 839 B13R1.381 CCNc1ccccc1C(C)(C)O 7a_100000081495_100000210202 [1,1,0,0,0,0|2,0,0]=4 840 B13R1.381 CCOc1ccccc1C(C)(C)C 34a_100000211619_100000210202 [1,1,0,0,0,0|0,0,0]=2 841 B13R1.381 CCOc1ccccc1C(C)(C)C 7a_100000211619_100000210202 [1,1,0,0,0,0|0,0,0]=2 842 B13R1.381 CCOc1ccccc1[Si](C)(C)C 7a_100000095915_100000210202 [1,1,0,0,0,0|0,1,0]=3 843 B13R1.381 CCSc1ccccc1C(C)(C)C 62a_100000210202_100012339570 [1,1,0,0,0,0|0,1,0]=3 844 B13R1.381 CCSc1ccccc1C(C)(C)C 62a_100012339570_100000210202 [1,1,0,0,0,0|0,1,0]=3 845 B13R1.381 CCSc1ccccc1C(C)(C)N 62a_100000210202_100020606264 [1,1,0,0,0,0|1,1,0]=4 846 B13R1.381 CCSc1ccccc1C(C)(C)N 62a_100020606264_100000210202 [1,1,0,0,0,0|1,1,0]=4 847 B13R1.381 CCSc1ccccc1C(C)(C)O 62a_100000210202_100011346021 [1,1,0,0,0,0|1,1,0]=4 848 B13R1.381 CCSc1ccccc1C(C)(C)O 62a_100011346021_100000210202 [1,1,0,0,0,0|1,1,0]=4 849 B13R1.381 CNCc1ccccc1C(C)(C)C 26a_100102657272_100000211619 [1,1,0,0,0,0|1,0,0]=3 850 B13R1.381 CNCc1ccccc1[Si](C)(C)C 26a_100102657272_100000095915 [1,1,0,0,0,0|1,1,0]=4 851 B13R1.381 C[Si](C)(C)c1ccccc1OCF 7a_100000095915_100015361967 [1,1,0,0,0,0|0,1,0]=3 852 B13R1.2129 CC(C)(C#N)c1ccccc1S[13CH3] 62a_100000716882_200025704644 [1,1,0,0,0,0|0,1,1]=4 853 B13R1.2129 CC(C)(C#N)c1ccccc1S[13CH3] 62a_200025704644_100000716882 [1,1,0,0,0,0|0,1,1]=4 854 B13R1.2129 CCC(C)(C)c1ccccc1OC 7a_100000065868_200000210301 [1,1,0,0,0,0|0,0,0]=2 855 B13R1.2129 CCC(C)(C)c1ccccc1O[13CH3] 7a_100000065868_200025704644 [1,1,0,0,0,0|0,0,0]=2 856 B13R1.2129 CSc1ccccc1C(C)(C)C#N 62a_100000716882_200000210301 [1,1,0,0,0,0|0,1,1]=4 857 B13R1.2129 CSc1ccccc1C(C)(C)C#N 62a_200000210301_100000716882 [1,1,0,0,0,0|0,1,1]=4 858 B13R1.98 C=Cc1ccc(c(c1)C(C)(C)C)N 271570a_100011290941_100010286096 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.98 C=Cc1ccc(c(c1)C(C)(C)C)O 271570a_100011290941_100000704011 [1,1,0,0,0,0|1,0,0]=3 860 B13R1.98 CC(C)(C)c1cc(ccc1Br)O[13CH3] 34a_200010201835_200025704644 [1,1,0,0,0,0|1,0,0]=3 861 B13R1.98 CC(C)(C)c1cc(ccc1Br)O[13CH3] 7a_200010201835_200025704644 [1,1,0,0,0,0|1,0,0]=3 862 B13R1.98 CC(C)(C)c1cc(ccc1N)S[13CH3] 62a_100010286096_200025704644 [1,1,0,0,0,0|1,1,0]=4 863 B13R1.98 CC(C)(C)c1cc(ccc1N)S[13CH3] 62a_200025704644_100010286096 [1,1,0,0,0,0|1,1,0]=4 864 B13R1.98 CC(C)(C)c1cc(ccc1O)C#N 271570a_203496583355_100032085006 [1,1,0,0,0,0|1,0,0]=3 865 B13R1.98 CC(C)(C)c1cc(ccc1O)S[13CH3] 62a_100000704011_200025704644 [1,1,0,0,0,0|0,1,0]=3 866 B13R1.98 CC(C)(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000704011 [1,1,0,0,0,0|0,1,0]=3 867 B13R1.98 COc1ccc(c(c1)C(C)(C)C)Br 34a_200010201835_200000210301 [1,1,0,0,0,0|1,0,0]=3 868 B13R1.98 COc1ccc(c(c1)C(C)(C)C)Br 7a_200010201835_200000210301 [1,1,0,0,0,0|1,0,0]=3 869 B13R1.98 CSc1ccc(c(c1)C(C)(C)C)N 62a_100010286096_200000210301 [1,1,0,0,0,0|1,1,0]=4 870 B13R1.98 CSc1ccc(c(c1)C(C)(C)C)N 62a_200000210301_100010286096 [1,1,0,0,0,0|1,1,0]=4 871 B13R1.98 CSc1ccc(c(c1)C(C)(C)C)O 62a_100000704011_200000210301 [1,1,0,0,0,0|0,1,0]=3 872 B13R1.98 CSc1ccc(c(c1)C(C)(C)C)O 62a_200000210301_100000704011 [1,1,0,0,0,0|0,1,0]=3 873 B13R1.257 CC(C)(O[13CH3])c1cc(ccc1Cl)Br 34a_100010993422_200025704644 [1,1,0,0,0,0|2,0,0]=4 874 B13R1.257 CC(C)(O[13CH3])c1cc(ccc1Cl)Br 7a_100010993422_200025704644 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.257 CC(C)(O[13CH3])c1cc(ccc1F)Br 34a_100012636306_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B13R1.257 CC(C)(O[13CH3])c1cc(ccc1F)Br 7a_100012636306_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B13R1.257 COC(C)(C)c1cc(ccc1Cl)Br 34a_100010993422_200000210301 [1,1,0,0,0,0|2,0,0]=4 878 B13R1.257 COC(C)(C)c1cc(ccc1Cl)Br 7a_100010993422_200000210301 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.257 COC(C)(C)c1cc(ccc1F)Br 34a_100012636306_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.257 COC(C)(C)c1cc(ccc1F)Br 7a_100012636306_200000210301 [1,1,0,0,0,0|2,0,0]=4 881 B15R1.134 CC(=O)c1ccc(cc1OC(C)(C)C)C 34a_100000234885_100000210625 [0,1,0,0,0,1|2,0,0]=4 882 B15R1.134 CC(=O)c1ccc(cc1OC(C)(C)C)Cl 34a_100000061402_100000210625 [0,1,0,0,0,1|2,0,0]=4 883 B15R1.134 CC(=O)c1ccc(cc1SC(C)(C)C)C 62a_100000211941_100012353930 [0,1,0,0,0,1|2,0,0]=4 884 B15R1.134 CC(=O)c1ccc(cc1SC(C)(C)C)C 62a_100012353930_100000211941 [0,1,0,0,0,1|2,0,0]=4 885 B15R1.134 CC(=O)c1ccc(cc1SC(C)(C)C)F 62a_100000686192_100000211941 [0,1,0,0,0,1|2,0,0]=4 886 B15R1.134 CC(=O)c1ccc(cc1SC(C)(C)C)O 62a_100012340537_100000211941 [0,1,0,0,0,1|1,0,0]=3 887 B15R1.134 CC(C)c1ccc(cc1NC(C)(C)C)F 34a_100012283353_100000210625 [0,1,0,0,0,1|2,0,0]=4 888 B15R1.134 CN(C)c1ccc(cc1SC(C)(C)C)F 62a_100000211941_100012349029 [0,1,0,0,0,1|2,0,0]=4 889 B15R1.134 CN(C)c1ccc(cc1SC(C)(C)C)F 62a_100012349029_100000211941 [0,1,0,0,0,1|2,0,0]=4 890 B15R1.134 CN(C)c1ccc(cc1SC(C)(C)C)N 62a_100000211941_100011534197 [0,1,0,0,0,1|2,0,0]=4 891 B15R1.134 CN(C)c1ccc(cc1SC(C)(C)C)N 62a_100011534197_100000211941 [0,1,0,0,0,1|2,0,0]=4 892 B15R1.134 C[C@@H](N)c1ccc(cc1SC(C)(C)C)F 62a_100000211941_100025704064 [0,1,0,0,0,1|2,0,0]=4 893 B15R1.134 C[C@@H](N)c1ccc(cc1SC(C)(C)C)F 62a_100025704064_100000211941 [0,1,0,0,0,1|2,0,0]=4 894 B15R1.134 Cc1ccc(c(c1)OC(C)(C)C)C(C)C 34a_100000185798_100000210625 [0,1,0,0,0,1|2,0,0]=4 895 B15R1.134 Cc1ccc(c(c1)SC(C)(C)C)N(C)C 62a_100000211941_100012353700 [0,1,0,0,0,1|2,0,0]=4 896 B15R1.134 Cc1ccc(c(c1)SC(C)(C)C)N(C)C 62a_100012353700_100000211941 [0,1,0,0,0,1|2,0,0]=4 897 B15R1.1824 CCc1cc(c(cc1NC(C)(C)C)F)F 34a_200013084838_100000210625 [0,1,0,0,0,1|2,0,0]=4 898 B15R1.1824 CCc1cc(c(cc1SC(C)(C)C)F)O 62a_100000211941_100011156610 [0,1,0,0,0,1|2,0,0]=4 899 B15R1.1824 CCc1cc(c(cc1SC(C)(C)C)F)O 62a_100011156610_100000211941 [0,1,0,0,0,1|2,0,0]=4 900 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)Br)Cl 34a_100010380671_100000210625 [0,1,0,0,0,1|1,0,0]=3 901 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)Br)F 34a_100012361397_100000210625 [0,1,0,0,0,1|1,0,0]=3 902 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)C)Br 34a_100010141321_100000210625 [0,1,0,0,0,1|1,0,0]=3 903 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)C)Cl 34a_100000211396_100000210625 [0,1,0,0,0,1|1,0,0]=3 904 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)Cl)Br 34a_100010212225_100000210625 [0,1,0,0,0,1|1,0,0]=3 905 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)Cl)C 34a_100009868623_100000210625 [0,1,0,0,0,1|1,0,0]=3 906 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)Cl)F 34a_100012186795_100000210625 [0,1,0,0,0,1|1,0,0]=3 907 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)F)Br 34a_100012766639_100000210625 [0,1,0,0,0,1|1,0,0]=3 908 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)F)F 34a_100000732608_100000210625 [0,1,0,0,0,1|1,0,0]=3 909 B15R1.1824 COc1cc(c(cc1NC(C)(C)C)I)Cl 34a_100011011177_100000210625 [0,1,0,0,0,1|1,0,0]=3 910 B15R1.1824 COc1cc(c(cc1OC(C)(C)C)F)Br 34a_100010189133_100000210625 [0,1,0,0,0,1|1,0,0]=3 911 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)C)F 62a_100000211941_100010201977 [0,1,0,0,0,1|1,0,0]=3 912 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)C)F 62a_100010201977_100000211941 [0,1,0,0,0,1|1,0,0]=3 913 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)C)N 62a_100000211941_100010232211 [0,1,0,0,0,1|1,0,0]=3 914 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)C)N 62a_100010232211_100000211941 [0,1,0,0,0,1|1,0,0]=3 915 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)F)F 62a_100000211941_100009813744 [0,1,0,0,0,1|1,0,0]=3 916 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)F)F 62a_100009813744_100000211941 [0,1,0,0,0,1|1,0,0]=3 917 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)N)C 62a_100000211941_106657271712 [0,1,0,0,0,1|1,0,0]=3 918 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)N)C 62a_106657271712_100000211941 [0,1,0,0,0,1|1,0,0]=3 919 B15R1.1824 COc1cc(c(cc1SC(C)(C)C)N)N 62a_100012769537_100000211941 [0,1,0,0,0,1|1,0,0]=3 920 B15R1.4599 CC(C)(C)Oc1cc(ccc1CO)CO 34a_200010669990_100000210625 [0,1,0,0,0,1|2,0,0]=4 921 B15R1.4599 CC(C)(C)Sc1cc(ccc1C#N)CO 62a_100000211941_100009876504 [0,1,0,0,0,1|2,0,0]=4 922 B15R1.4599 CC(C)(C)Sc1cc(ccc1CO)CO 62a_100000211941_100010881536 [0,1,0,0,0,1|2,0,0]=4 923 B15R1.4599 CC(C)(C)Sc1cc(ccc1CO)CO 62a_100010881536_100000211941 [0,1,0,0,0,1|2,0,0]=4 924 B15R1.4599 CCc1ccc(c(c1)NC(C)(C)C)OC 34a_100012035449_100000210625 [0,1,0,0,0,1|1,0,0]=3 925 B15R1.4599 CCc1ccc(c(c1)OC(C)(C)C)OC 34a_100009844796_100000210625 [0,1,0,0,0,1|1,0,0]=3 926 B15R1.4599 CCc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_100010062400 [0,1,0,0,0,1|1,0,0]=3 927 B15R1.4599 CCc1ccc(c(c1)SC(C)(C)C)OC 62a_100010062400_100000211941 [0,1,0,0,0,1|1,0,0]=3 928 B15R1.4599 CNc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_114948341033 [0,1,0,0,0,1|1,0,0]=3 929 B15R1.4599 CNc1ccc(c(c1)SC(C)(C)C)OC 62a_114948341033_100000211941 [0,1,0,0,0,1|1,0,0]=3 930 B15R1.4599 CNc1ccc(cc1SC(C)(C)C)C#N 62a_100000211941_200020994358 [0,1,0,0,0,1|2,0,0]=4 931 B15R1.4599 CNc1ccc(cc1SC(C)(C)C)C=O 62a_100000211941_200010290468 [0,1,0,0,0,1|1,0,1]=4 932 B15R1.4599 CNc1ccc(cc1SC(C)(C)C)C=O 62a_200010290468_100000211941 [0,1,0,0,0,1|1,0,1]=4 933 B15R1.4599 COc1cc(c(nn1)OC)OC(C)(C)C 34a_200010760773_100000210625 [0,1,0,0,0,1|2,0,0]=4 934 B15R1.4599 COc1ccc(c(c1)NC(C)(C)C)C#N 34a_100000687564_100000210625 [0,1,0,0,0,1|2,0,0]=4 935 B15R1.4599 COc1ccc(c(c1)NC(C)(C)C)CO 34a_100011998734_100000210625 [0,1,0,0,0,1|2,0,0]=4 936 B15R1.4599 COc1ccc(c(c1)NC(C)(C)C)OC 34a_100000184736_100000210625 [0,1,0,0,0,1|0,0,0]=2 937 B15R1.4599 COc1ccc(c(c1)OC(C)(C)C)C#N 34a_100011999188_100000210625 [0,1,0,0,0,1|2,0,0]=4 938 B15R1.4599 COc1ccc(c(c1)OC(C)(C)C)N=O 34a_200010658452_100000210625 [0,1,0,0,0,1|2,0,0]=4 939 B15R1.4599 COc1ccc(c(c1)OC(C)(C)C)OC 34a_100000074795_100000210625 [0,1,0,0,0,1|0,0,0]=2 940 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)C#N 62a_100000211941_100012355471 [0,1,0,0,0,1|2,0,0]=4 941 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)C=O 62a_100000211941_100000723261 [0,1,0,0,0,1|2,0,0]=4 942 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)C=O 62a_100000723261_100000211941 [0,1,0,0,0,1|2,0,0]=4 943 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)CO 62a_100000211941_100011982768 [0,1,0,0,0,1|2,0,0]=4 944 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)CO 62a_100011982768_100000211941 [0,1,0,0,0,1|2,0,0]=4 945 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)OC 62a_100000211941_100011215452 [0,1,0,0,0,1|0,0,0]=2 946 B15R1.4599 COc1ccc(c(c1)SC(C)(C)C)OC 62a_100011215452_100000211941 [0,1,0,0,0,1|0,0,0]=2 947 B15R1.4599 COc1ccc(cc1NC(C)(C)C)C#N 34a_100000747721_100000210625 [0,1,0,0,0,1|1,0,0]=3 948 B15R1.4599 COc1ccc(cc1NC(C)(C)C)CO 34a_100011269841_100000210625 [0,1,0,0,0,1|0,0,0]=2 949 B15R1.4599 COc1ccc(cc1OC(C)(C)C)C#N 34a_100000188611_100000210625 [0,1,0,0,0,1|1,0,0]=3 950 B15R1.4599 COc1ccc(cc1OC(C)(C)C)CN 34a_100000740000_100000210625 [0,1,0,0,0,1|1,0,0]=3 951 B15R1.4599 COc1ccc(cc1OC(C)(C)C)CO 34a_100011215239_100000210625 [0,1,0,0,0,1|0,0,0]=2 952 B15R1.4599 COc1ccc(cc1SC(C)(C)C)C#N 62a_100000211941_100000188253 [0,1,0,0,0,1|1,0,0]=3 953 B15R1.4599 COc1ccc(cc1SC(C)(C)C)C=O 62a_100000173361_100000211941 [0,1,0,0,0,1|0,0,1]=3 954 B15R1.4599 COc1ccc(cc1SC(C)(C)C)C=O 62a_100000211941_100000173361 [0,1,0,0,0,1|0,0,1]=3 955 B15R1.4599 COc1ccc(cc1SC(C)(C)C)CN 62a_100000211941_100159240714 [0,1,0,0,0,1|1,0,0]=3 956 B15R1.4599 COc1ccc(cc1SC(C)(C)C)CN 62a_100159240714_100000211941 [0,1,0,0,0,1|1,0,0]=3 957 B15R1.4599 COc1ccc(cc1SC(C)(C)C)CO 62a_100000211941_100000246451 [0,1,0,0,0,1|0,0,0]=2 958 B15R1.4599 COc1ccc(cc1SC(C)(C)C)CO 62a_100000246451_100000211941 [0,1,0,0,0,1|0,0,0]=2 959 B15R1.4599 COc1ccc(nc1SC(C)(C)C)C=O 62a_100000211941_100010174741 [0,1,0,0,0,1|1,0,1]=4 960 B15R1.4599 COc1ccc(nc1SC(C)(C)C)C=O 62a_100010174741_100000211941 [0,1,0,0,0,1|1,0,1]=4 961 B15R1.4599 COc1ccc(nc1SC(C)(C)C)CO 62a_100000211941_100009842956 [0,1,0,0,0,1|1,0,0]=3 962 B15R1.4599 COc1ccc(nc1SC(C)(C)C)CO 62a_100009842956_100000211941 [0,1,0,0,0,1|1,0,0]=3 963 B15R1.4599 COc1cnc(cc1SC(C)(C)C)C=O 62a_100000211941_100010893078 [0,1,0,0,0,1|1,0,1]=4 964 B15R1.4599 COc1cnc(cc1SC(C)(C)C)C=O 62a_100010893078_100000211941 [0,1,0,0,0,1|1,0,1]=4 965 B15R1.4599 COc1ncc(cc1SC(C)(C)C)C=O 62a_100000211941_200010064893 [0,1,0,0,0,1|1,0,1]=4 966 B15R1.4599 COc1ncc(cc1SC(C)(C)C)C=O 62a_200010064893_100000211941 [0,1,0,0,0,1|1,0,1]=4 967 B15R1.7063 CCOc1ccc(cc1NC(C)(C)C)Br 34a_100000751366_100000210625 [0,1,0,0,0,1|1,0,0]=3 968 B15R1.7063 CCOc1ccc(cc1NC(C)(C)C)C 34a_100011202655_100000210625 [0,1,0,0,0,1|1,0,0]=3 969 B15R1.7063 CCOc1ccc(cc1NC(C)(C)C)Cl 34a_100000742605_100000210625 [0,1,0,0,0,1|1,0,0]=3 970 B15R1.7063 CCOc1ccc(cc1SC(C)(C)C)C 62a_100000211941_200000230997 [0,1,0,0,0,1|1,0,0]=3 971 B15R1.7063 CCOc1ccc(cc1SC(C)(C)C)C 62a_200000230997_100000211941 [0,1,0,0,0,1|1,0,0]=3 972 B15R1.7063 CCOc1ccc(cc1SC(C)(C)C)F 62a_100000171695_100000211941 [0,1,0,0,0,1|1,0,0]=3 973 B15R1.7063 CCOc1ccc(cc1SC(C)(C)C)F 62a_100000211941_100000171695 [0,1,0,0,0,1|1,0,0]=3 974 B15R1.7063 CCOc1ncc(cc1SC(C)(C)C)Br 62a_100000211941_200010177599 [0,1,0,0,0,1|2,0,0]=4 975 B15R1.7063 CCOc1ncc(cc1SC(C)(C)C)Br 62a_200010177599_100000211941 [0,1,0,0,0,1|2,0,0]=4 976 B15R1.7063 CCSc1ccc(cc1NC(C)(C)C)Cl 34a_100000752208_100000210625 [0,1,0,0,0,1|1,1,0]=4 977 B15R1.7063 CNCc1ccc(cc1SC(C)(C)C)F 62a_100000211941_200011192132 [0,1,0,0,0,1|2,0,0]=4 978 B15R1.7063 CNCc1ccc(cc1SC(C)(C)C)F 62a_200011192132_100000211941 [0,1,0,0,0,1|2,0,0]=4 979 B15R1.7063 COCc1ccc(cc1NC(C)(C)C)Br 34a_100013084866_100000210625 [0,1,0,0,0,1|1,0,0]=3 980 B15R1.20670 CNc1c(cc(cc1SC(C)(C)C)F)N 62a_100000211941_114929179422 [0,1,0,0,0,1|2,0,0]=4 981 B15R1.20670 CNc1c(cc(cc1SC(C)(C)C)F)N 62a_114929179422_100000211941 [0,1,0,0,0,1|2,0,0]=4 982 B15R1.20670 COc1c(cc(cc1NC(C)(C)C)Br)F 34a_200010245146_100000210625 [0,1,0,0,0,1|1,0,0]=3 983 B15R1.20670 COc1c(cc(cc1NC(C)(C)C)C)F 34a_100009958095_100000210625 [0,1,0,0,0,1|1,0,0]=3 984 B15R1.20670 COc1c(cc(cc1NC(C)(C)C)Cl)Br 34a_100000243884_100000210625 [0,1,0,0,0,1|1,0,0]=3 985 B15R1.20670 COc1c(cc(cc1NC(C)(C)C)Cl)Cl 34a_100009871722_100000210625 [0,1,0,0,0,1|1,0,0]=3 986 B15R1.20670 COc1c(cc(cc1NC(C)(C)C)F)Br 34a_100011190657_100000210625 [0,1,0,0,0,1|1,0,0]=3 987 B15R1.20670 COc1c(cc(cc1NC(C)(C)C)F)F 34a_100000061580_100000210625 [0,1,0,0,0,1|1,0,0]=3 988 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)Br)N 62a_100000211941_100015658936 [0,1,0,0,0,1|1,0,0]=3 989 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)Br)N 62a_100015658936_100000211941 [0,1,0,0,0,1|1,0,0]=3 990 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)C)F 62a_100000211941_200010713180 [0,1,0,0,0,1|1,0,0]=3 991 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)C)F 62a_200010713180_100000211941 [0,1,0,0,0,1|1,0,0]=3 992 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)F)F 62a_100000211941_100009813607 [0,1,0,0,0,1|1,0,0]=3 993 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)F)F 62a_100009813607_100000211941 [0,1,0,0,0,1|1,0,0]=3 994 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)F)N 62a_100000211941_100011190657 [0,1,0,0,0,1|1,0,0]=3 995 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)F)N 62a_100011190657_100000211941 [0,1,0,0,0,1|1,0,0]=3 996 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)N)C 62a_100000211941_100010071304 [0,1,0,0,0,1|1,0,0]=3 997 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)N)C 62a_100010071304_100000211941 [0,1,0,0,0,1|1,0,0]=3 998 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)N)F 62a_100000211941_200009816006 [0,1,0,0,0,1|1,0,0]=3 999 B15R1.20670 COc1c(cc(cc1SC(C)(C)C)N)F 62a_200009816006_100000211941 [0,1,0,0,0,1|1,0,0]=3 1000 B15R1.20670 CSc1c(cc(cc1SC(C)(C)C)C)F 62a_100000211941_202125771776 [0,1,0,0,0,1|1,1,0]=4 1001 B15R1.20670 CSc1c(cc(cc1SC(C)(C)C)C)F 62a_202125771776_100000211941 [0,1,0,0,0,1|1,1,0]=4 1002 B15R1.43320 C#CC(C)(C)Nc1cc(ccc1OC)Br 34a_100000743470_100000038118 [0,1,0,0,0,1|1,0,1]=4 1003 B15R1.43320 C#CC(C)(C)Nc1cc(ccc1OC)C 34a_100000210980_100000038118 [0,1,0,0,0,1|1,0,1]=4 1004 B15R1.43320 C#CC(C)(C)Nc1cc(ccc1OC)Cl 34a_100000182114_100000038118 [0,1,0,0,0,1|1,0,1]=4 1005 B15R1.43320 C#CC(C)(C)Nc1cc(ccc1OC)F 34a_100000757179_100000038118 [0,1,0,0,0,1|1,0,1]=4 1006 B15R1.43320 C#CC(C)(C)Oc1cc(ccc1OC)Br 34a_100009816560_100000038118 [0,1,0,0,0,1|1,0,1]=4 1007 B15R1.43320 C#CC(C)(C)Oc1cc(ccc1OC)C 34a_100011216497_100000038118 [0,1,0,0,0,1|1,0,1]=4 1008 B15R1.43320 C#CC(C)(C)Oc1cc(ccc1OC)Cl 34a_100000101779_100000038118 [0,1,0,0,0,1|1,0,1]=4 1009 B15R1.43320 C#CC(C)(C)Oc1cc(ccc1OC)F 34a_100000034962_100000038118 [0,1,0,0,0,1|1,0,1]=4 1010 B15R1.43320 C#CC(C)(C)Oc1cc(ccc1OC)N 34a_100000211920_100000038118 [0,1,0,0,0,1|1,0,1]=4 1011 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)Br 62a_100000038118_100012351588 [0,1,0,0,0,1|1,0,1]=4 1012 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)Br 62a_100012351588_100000038118 [0,1,0,0,0,1|1,0,1]=4 1013 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)C 62a_100000038118_100000186399 [0,1,0,0,0,1|1,0,1]=4 1014 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)C 62a_100000186399_100000038118 [0,1,0,0,0,1|1,0,1]=4 1015 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)Cl 62a_100000038118_100011215930 [0,1,0,0,0,1|1,0,1]=4 1016 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)Cl 62a_100011215930_100000038118 [0,1,0,0,0,1|1,0,1]=4 1017 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)F 62a_100000038118_100000171694 [0,1,0,0,0,1|1,0,1]=4 1018 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)F 62a_100000171694_100000038118 [0,1,0,0,0,1|1,0,1]=4 1019 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)N 62a_100000038118_100011356947 [0,1,0,0,0,1|1,0,1]=4 1020 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)N 62a_100011356947_100000038118 [0,1,0,0,0,1|1,0,1]=4 1021 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)O 62a_100000038118_100010234764 [0,1,0,0,0,1|0,0,1]=3 1022 B15R1.43320 C#CC(C)(C)Sc1cc(ccc1OC)O 62a_100010234764_100000038118 [0,1,0,0,0,1|0,0,1]=3 1023 B15R1.43320 CCC(C)(C)Oc1cc(ccc1OC)Br 7a_100009816560_100000210677 [0,1,0,0,0,1|1,0,0]=3 1024 B15R1.43320 CCC(C)(C)Oc1cc(ccc1OC)C 7a_100011216497_100000210677 [0,1,0,0,0,1|1,0,0]=3 1025 B15R1.43320 CCC(C)(C)Oc1cc(ccc1OC)Cl 7a_100000101779_100000210677 [0,1,0,0,0,1|1,0,0]=3 1026 B15R1.43320 CCC(C)(C)Oc1cc(ccc1OC)F 7a_100000034962_100000210677 [0,1,0,0,0,1|1,0,0]=3 1027 B15R1.43320 CCC(C)(C)Sc1cc(=O)[nH]cc1OC 62a_100000032637_100121573661 [0,1,0,0,0,1|1,0,1]=4 1028 B15R1.43320 CCC(C)(C)Sc1cc(=O)[nH]cc1OC 62a_100121573661_100000032637 [0,1,0,0,0,1|1,0,1]=4 1029 B15R1.43320 CCC(C)(C)Sc1cc(ccc1C#N)O 62a_100000032637_100012184851 [0,1,0,0,0,1|2,0,0]=4 1030 B15R1.43320 CCC(C)(C)Sc1cc(ccc1C=O)O 62a_100000032637_100011236494 [0,1,0,0,0,1|2,0,0]=4 1031 B15R1.43320 CCC(C)(C)Sc1cc(ccc1C=O)O 62a_100011236494_100000032637 [0,1,0,0,0,1|2,0,0]=4 1032 B15R1.43320 CCC(C)(C)Sc1cc(ccc1CO)O 62a_100000032637_100010146404 [0,1,0,0,0,1|2,0,0]=4 1033 B15R1.43320 CCC(C)(C)Sc1cc(ccc1CO)O 62a_100010146404_100000032637 [0,1,0,0,0,1|2,0,0]=4 1034 B15R1.43320 CCC(C)(C)Sc1cc(ccc1NC)C 62a_100000032637_100000221369 [0,1,0,0,0,1|2,0,0]=4 1035 B15R1.43320 CCC(C)(C)Sc1cc(ccc1NC)C 62a_100000221369_100000032637 [0,1,0,0,0,1|2,0,0]=4 1036 B15R1.43320 CCC(C)(C)Sc1cc(ccc1NC)F 62a_100000032637_100011246292 [0,1,0,0,0,1|2,0,0]=4 1037 B15R1.43320 CCC(C)(C)Sc1cc(ccc1NC)F 62a_100011246292_100000032637 [0,1,0,0,0,1|2,0,0]=4 1038 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)Br 62a_100000032637_100012351588 [0,1,0,0,0,1|1,0,0]=3 1039 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)Br 62a_100012351588_100000032637 [0,1,0,0,0,1|1,0,0]=3 1040 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)C 62a_100000032637_100000186399 [0,1,0,0,0,1|1,0,0]=3 1041 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)C 62a_100000186399_100000032637 [0,1,0,0,0,1|1,0,0]=3 1042 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)Cl 62a_100000032637_100011215930 [0,1,0,0,0,1|1,0,0]=3 1043 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)Cl 62a_100011215930_100000032637 [0,1,0,0,0,1|1,0,0]=3 1044 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)F 62a_100000032637_100000171694 [0,1,0,0,0,1|1,0,0]=3 1045 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)F 62a_100000171694_100000032637 [0,1,0,0,0,1|1,0,0]=3 1046 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)N 62a_100000032637_100011356947 [0,1,0,0,0,1|1,0,0]=3 1047 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)N 62a_100011356947_100000032637 [0,1,0,0,0,1|1,0,0]=3 1048 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)O 62a_100000032637_100010234764 [0,1,0,0,0,1|0,0,0]=2 1049 B15R1.43320 CCC(C)(C)Sc1cc(ccc1OC)O 62a_100010234764_100000032637 [0,1,0,0,0,1|0,0,0]=2 1050 B15R1.43320 CCC(C)(C)Sc1cc(ccc1SC)C 62a_100000032637_200010201864 [0,1,0,0,0,1|1,1,0]=4 1051 B15R1.43320 CCC(C)(C)Sc1cc(ccc1SC)C 62a_200010201864_100000032637 [0,1,0,0,0,1|1,1,0]=4 1052 B15R1.43320 CCC(C)(C)Sc1cc(ccc1SC)F 62a_100000032637_100009817003 [0,1,0,0,0,1|1,1,0]=4 1053 B15R1.43320 CCC(C)(C)Sc1cc(ccc1SC)F 62a_100009817003_100000032637 [0,1,0,0,0,1|1,1,0]=4 1054 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)Br 62a_100000032637_100009814608 [0,1,0,0,0,1|2,0,0]=4 1055 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)Br 62a_100009814608_100000032637 [0,1,0,0,0,1|2,0,0]=4 1056 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)C 62a_100000032637_100012353929 [0,1,0,0,0,1|2,0,0]=4 1057 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)C 62a_100012353929_100000032637 [0,1,0,0,0,1|2,0,0]=4 1058 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)F 62a_100000032637_100009828472 [0,1,0,0,0,1|2,0,0]=4 1059 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)F 62a_100009828472_100000032637 [0,1,0,0,0,1|2,0,0]=4 1060 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)N 62a_100000032637_100012351452 [0,1,0,0,0,1|2,0,0]=4 1061 B15R1.43320 CCC(C)(C)Sc1cc(cnc1OC)N 62a_100012351452_100000032637 [0,1,0,0,0,1|2,0,0]=4 1062 B15R1.43320 CCC(C)(C)Sc1cc(ncc1OC)C 62a_100000032637_100010109759 [0,1,0,0,0,1|2,0,0]=4 1063 B15R1.43320 CCC(C)(C)Sc1cc(ncc1OC)C 62a_100010109759_100000032637 [0,1,0,0,0,1|2,0,0]=4 1064 B15R1.43320 CCC(C)(C)Sc1nc(ccc1OC)C 62a_100000032637_100009820875 [0,1,0,0,0,1|2,0,0]=4 1065 B15R1.43320 CCC(C)(C)Sc1nc(ccc1OC)C 62a_100009820875_100000032637 [0,1,0,0,0,1|2,0,0]=4 1066 B15R1.43320 CCC(C)(C)Sc1nc(ccc1OC)N 62a_100000032637_100010172607 [0,1,0,0,0,1|2,0,0]=4 1067 B15R1.43320 CCC(C)(C)Sc1nc(ccc1OC)N 62a_100010172607_100000032637 [0,1,0,0,0,1|2,0,0]=4 1068 B15R1.43320 CCc1ccc(cc1NC(C)(C)CC)Br 7a_100012354963_100000210677 [0,1,0,0,0,1|2,0,0]=4 1069 B15R1.43320 CCc1ccc(cc1NC(C)(C)CC)Cl 7a_200012281948_100000210677 [0,1,0,0,0,1|2,0,0]=4 1070 B15R1.43320 COc1ccc(cc1NC(C)(C)C#N)Br 34a_100000743470_100011162410 [0,1,0,0,0,1|1,0,1]=4 1071 B15R1.43320 COc1ccc(cc1NC(C)(C)C#N)C 34a_100000210980_100011162410 [0,1,0,0,0,1|1,0,1]=4 1072 B15R1.43320 COc1ccc(cc1NC(C)(C)C#N)Cl 34a_100000182114_100011162410 [0,1,0,0,0,1|1,0,1]=4 1073 B15R1.43320 COc1ccc(cc1NC(C)(C)C#N)F 34a_100000757179_100011162410 [0,1,0,0,0,1|1,0,1]=4 1074 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)Br 34a_100009816560_100011162410 [0,1,0,0,0,1|1,0,1]=4 1075 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)Br 7a_100009816560_100011162410 [0,1,0,0,0,1|1,0,1]=4 1076 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)C 34a_100011216497_100011162410 [0,1,0,0,0,1|1,0,1]=4 1077 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)C 7a_100011216497_100011162410 [0,1,0,0,0,1|1,0,1]=4 1078 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)Cl 34a_100000101779_100011162410 [0,1,0,0,0,1|1,0,1]=4 1079 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)Cl 7a_100000101779_100011162410 [0,1,0,0,0,1|1,0,1]=4 1080 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)F 34a_100000034962_100011162410 [0,1,0,0,0,1|1,0,1]=4 1081 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)F 7a_100000034962_100011162410 [0,1,0,0,0,1|1,0,1]=4 1082 B15R1.43320 COc1ccc(cc1OC(C)(C)C#N)N 34a_100000211920_100011162410 [0,1,0,0,0,1|1,0,1]=4 1083 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)Br 62a_100011162410_100012351588 [0,1,0,0,0,1|1,0,1]=4 1084 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)Br 62a_100012351588_100011162410 [0,1,0,0,0,1|1,0,1]=4 1085 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)C 62a_100000186399_100011162410 [0,1,0,0,0,1|1,0,1]=4 1086 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)C 62a_100011162410_100000186399 [0,1,0,0,0,1|1,0,1]=4 1087 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)Cl 62a_100011162410_100011215930 [0,1,0,0,0,1|1,0,1]=4 1088 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)Cl 62a_100011215930_100011162410 [0,1,0,0,0,1|1,0,1]=4 1089 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)F 62a_100000171694_100011162410 [0,1,0,0,0,1|1,0,1]=4 1090 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)F 62a_100011162410_100000171694 [0,1,0,0,0,1|1,0,1]=4 1091 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)N 62a_100011162410_100011356947 [0,1,0,0,0,1|1,0,1]=4 1092 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)N 62a_100011356947_100011162410 [0,1,0,0,0,1|1,0,1]=4 1093 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)O 62a_100010234764_100011162410 [0,1,0,0,0,1|0,0,1]=3 1094 B15R1.43320 COc1ccc(cc1SC(C)(C)C#N)O 62a_100011162410_100010234764 [0,1,0,0,0,1|0,0,1]=3 1095 B15R1.43320 COc1ccc(cc1SC(F)(F)CO)O 62a_100010234764_100011217949 [0,1,0,0,0,1|2,0,0]=4 1096 B15R1.43320 COc1ccc(cc1SC(F)(F)CO)O 62a_100011217949_100010234764 [0,1,0,0,0,1|2,0,0]=4 1097 B15R1.43734 CC(C)(C)Sc1c(ccc(c1O)O)C=O 62a_100000211941_200010659824 [0,1,0,0,0,1|2,0,0]=4 1098 B15R1.43734 COc1ccc(c(c1NC(C)(C)C)F)F 34a_100000061648_100000210625 [0,1,0,0,0,1|1,0,0]=3 1099 B15R1.43734 COc1ccc(c(c1OC(C)(C)C)F)F 34a_100000062125_100000210625 [0,1,0,0,0,1|1,0,0]=3 1100 B15R1.43734 COc1ccc(c(c1SC(C)(C)C)F)F 62a_100000211941_100010204329 [0,1,0,0,0,1|1,0,0]=3 1101 B15R1.43734 COc1ccc(c(c1SC(C)(C)C)F)F 62a_100010204329_100000211941 [0,1,0,0,0,1|1,0,0]=3 1102 B15R1.25 CC(C)(C)c1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100011996386_200025704644 [0,2,0,0,0,0|0,0,1]=3 1103 B15R1.25 CC(C)(C)c1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100011996386_200025704644 [0,2,0,0,0,0|0,0,1]=3 1104 B15R1.25 COc1ccc(cc1C(C)(C)C)C(=O)C 1458a_100010225071_200000210301 [0,2,0,0,0,0|0,0,1]=3 1105 B15R1.25 COc1ccc(cc1C(C)(C)C)C(=O)[13CH3] 1458a_100010225071_200025704644 [0,2,0,0,0,0|0,0,1]=3 1106 B15R1.25 COc1ccc(cc1C(C)(C)C)[N+](=O)[O-] 34a_100011996386_200000210301 [0,2,0,0,0,0|0,0,1]=3 1107 B15R1.25 COc1ccc(cc1C(C)(C)C)[N+](=O)[O-] 7a_100011996386_200000210301 [0,2,0,0,0,0|0,0,1]=3 1108 B15R1.1842 C=C(C)c1ccc(cc1C(C)(C)C)C#N 271570a_100000694244_100032085006 [0,2,0,0,0,0|2,0,0]=4 1109 B15R1.5651 CC(C)(C)c1cc(ccc1NCF)C#N 34a_100009981211_100015361967 [0,2,0,0,0,0|2,0,0]=4 1110 B15R1.5651 CC(C)(C)c1cc(ccc1NCF)C#N 7a_100009981211_100015361967 [0,2,0,0,0,0|2,0,0]=4 1111 B15R1.5651 CC(C)(C)c1cc(ccc1OCF)C#N 34a_100009855163_100015361967 [0,2,0,0,0,0|1,0,0]=3 1112 B15R1.5651 CC(C)(C)c1cc(ccc1OCF)C#N 7a_100009855163_100015361967 [0,2,0,0,0,0|1,0,0]=3 1113 B15R1.5651 CC(C)(C)c1cc(ccc1SCF)C#N 62a_100015361967_100032085006 [0,2,0,0,0,0|1,1,0]=4 1114 B15R1.5651 CC=Cc1ccc(cc1C(C)(C)C)C#N 271570a_100016259895_100032085006 [0,2,0,0,0,0|2,0,0]=4 1115 B15R1.5651 CCNc1ccc(cc1C(C)(C)C)C#N 34a_100009981211_100000210202 [0,2,0,0,0,0|2,0,0]=4 1116 B15R1.5651 CCNc1ccc(cc1C(C)(C)C)C#N 7a_100009981211_100000210202 [0,2,0,0,0,0|2,0,0]=4 1117 B15R1.5651 CCOc1ccc(cc1C(C)(C)C)C#N 34a_100009855163_100000210202 [0,2,0,0,0,0|1,0,0]=3 1118 B15R1.5651 CCOc1ccc(cc1C(C)(C)C)C#N 7a_100009855163_100000210202 [0,2,0,0,0,0|1,0,0]=3 1119 B15R1.5651 CCOc1ccc(cc1C(C)(C)C)CC 34a_100000211512_100000210202 [0,2,0,0,0,0|1,0,0]=3 1120 B15R1.5651 CCOc1ccc(cc1C(C)(C)C)CC 7a_100000211512_100000210202 [0,2,0,0,0,0|1,0,0]=3 1121 B15R1.5651 CCOc1ccc(cc1C(C)(C)C)OC 34a_100000211501_100000210202 [0,2,0,0,0,0|0,0,0]=2 1122 B15R1.5651 CCOc1ccc(cc1C(C)(C)C)OC 7a_100000211501_100000210202 [0,2,0,0,0,0|0,0,0]=2 1123 B15R1.5651 CCSc1ccc(cc1C(C)(C)C)C#N 62a_100000210202_100032085006 [0,2,0,0,0,0|1,1,0]=4 1124 B15R1.5651 CCc1ccc(c(c1)C(C)(C)C)CNC 26a_100102657272_100000211512 [0,2,0,0,0,0|2,0,0]=4 1125 B15R1.5651 CCc1ccc(c(c1)C(C)(C)C)OCF 34a_100000211512_100015361967 [0,2,0,0,0,0|1,0,0]=3 1126 B15R1.5651 CCc1ccc(c(c1)C(C)(C)C)OCF 7a_100000211512_100015361967 [0,2,0,0,0,0|1,0,0]=3 1127 B15R1.5651 CNCc1ccc(cc1C(C)(C)C)C#N 26a_100102657272_100009855163 [0,2,0,0,0,0|2,0,0]=4 1128 B15R1.5651 CNCc1ccc(cc1C(C)(C)C)OC 26a_100102657272_100000211501 [0,2,0,0,0,0|1,0,0]=3 1129 B15R1.5651 COc1ccc(c(c1)C(C)(C)C)OCF 34a_100000211501_100015361967 [0,2,0,0,0,0|0,0,0]=2 1130 B15R1.5651 COc1ccc(c(c1)C(C)(C)C)OCF 7a_100000211501_100015361967 [0,2,0,0,0,0|0,0,0]=2 1131 B15R1.9652 CCOc1ccc(c(c1)C(C)(C)C)OC 34a_100000074442_100000210202 [0,2,0,0,0,0|0,0,0]=2 1132 B15R1.9652 CCOc1ccc(c(c1)C(C)(C)C)OC 7a_100000074442_100000210202 [0,2,0,0,0,0|0,0,0]=2 1133 B15R1.9652 CNCc1ccc(c(c1)C(C)(C)C)OC 26a_100102657272_100000074442 [0,2,0,0,0,0|1,0,0]=3 1134 B15R1.9652 COc1ccc(cc1C(C)(C)C)OCF 34a_100000074442_100015361967 [0,2,0,0,0,0|0,0,0]=2 1135 B15R1.9652 COc1ccc(cc1C(C)(C)C)OCF 7a_100000074442_100015361967 [0,2,0,0,0,0|0,0,0]=2 1136 B15R1.5832 CC(=Cc1ccc(cc1C(C)(C)C)O)C 271570a_100102525489_200010201835 [0,2,0,0,0,0|1,0,0]=3 1137 B15R1.5832 CC(=O)Nc1ccc(cc1C(C)(C)C)Br 11a_100010286096_100015343762 [0,2,0,0,0,0|2,0,0]=4 1138 B15R1.5832 CC(=O)Nc1ccc(cc1C(C)(C)C)Br 1626a_100010286096_100015343762 [0,2,0,0,0,0|2,0,0]=4 1139 B15R1.5832 CC(=O)Nc1ccc(cc1C(C)(C)C)Br 22a_100010286096_100000070787 [0,2,0,0,0,0|2,0,0]=4 1140 B15R1.5832 CC(=O)Nc1ccc(cc1C(C)(C)C)O 271570a_203496583355_100000718808 [0,2,0,0,0,0|1,0,0]=3 1141 B15R1.5832 CC(C)Nc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100000210206 [0,2,0,0,0,0|2,0,0]=4 1142 B15R1.5832 CC(C)Nc1ccc(cc1C(C)(C)C)Br 34a_100010286096_100000210206 [0,2,0,0,0,0|2,0,0]=4 1143 B15R1.5832 CC(C)Nc1ccc(cc1C(C)(C)C)Br 7a_100010286096_100000210206 [0,2,0,0,0,0|2,0,0]=4 1144 B15R1.5832 CC(C)Oc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100000210206 [0,2,0,0,0,0|1,0,0]=3 1145 B15R1.5832 CC(C)Oc1ccc(cc1C(C)(C)C)Br 7a_100000704011_100000210206 [0,2,0,0,0,0|1,0,0]=3 1146 B15R1.5832 CC(C)Oc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100000210206 [0,2,0,0,0,0|1,0,0]=3 1147 B15R1.5832 CC(C)Oc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_100000210206 [0,2,0,0,0,0|1,0,0]=3 1148 B15R1.5832 CC(C)Sc1ccc(cc1C(C)(C)C)O 62a_100000210206_200010201835 [0,2,0,0,0,0|0,1,0]=3 1149 B15R1.5832 CC(C)Sc1ccc(cc1C(C)(C)C)O 62a_200010201835_100000210206 [0,2,0,0,0,0|0,1,0]=3 1150 B15R1.5832 Cc1ccc(c(c1)C(C)(C)C)OC(C)C 34a_100000211090_100000210206 [0,2,0,0,0,0|1,0,0]=3 1151 B15R1.5832 Cc1ccc(c(c1)C(C)(C)C)OC(C)C 7a_100000211090_100000210206 [0,2,0,0,0,0|1,0,0]=3 1152 B15R1.12063 C#CCNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100000038162 [0,2,0,0,0,0|2,0,0]=4 1153 B15R1.12063 C#CCNc1ccc(cc1C(C)(C)C)Br 34a_100010286096_100000184674 [0,2,0,0,0,0|2,0,0]=4 1154 B15R1.12063 C#CCNc1ccc(cc1C(C)(C)C)Br 7a_100010286096_100000038162 [0,2,0,0,0,0|2,0,0]=4 1155 B15R1.12063 C#CCOc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100000184674 [0,2,0,0,0,0|1,0,0]=3 1156 B15R1.12063 C#CCOc1ccc(cc1C(C)(C)C)Br 7a_100000704011_100000038162 [0,2,0,0,0,0|1,0,0]=3 1157 B15R1.12063 C#CCOc1ccc(cc1C(C)(C)C)C 34a_100000211090_100000184674 [0,2,0,0,0,0|1,0,0]=3 1158 B15R1.12063 C#CCOc1ccc(cc1C(C)(C)C)C 7a_100000211090_100000038162 [0,2,0,0,0,0|1,0,0]=3 1159 B15R1.12063 C#CCOc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100000184674 [0,2,0,0,0,0|1,0,0]=3 1160 B15R1.12063 C#CCOc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_100000038162 [0,2,0,0,0,0|1,0,0]=3 1161 B15R1.12063 C#CCSc1ccc(cc1C(C)(C)C)O 62a_100000038162_200010201835 [0,2,0,0,0,0|0,1,0]=3 1162 B15R1.12063 C=CCNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100000210623 [0,2,0,0,0,0|2,0,0]=4 1163 B15R1.12063 C=CCNc1ccc(cc1C(C)(C)C)Br 34a_100010286096_100015514636 [0,2,0,0,0,0|2,0,0]=4 1164 B15R1.12063 C=CCNc1ccc(cc1C(C)(C)C)Br 7a_100010286096_100015514636 [0,2,0,0,0,0|2,0,0]=4 1165 B15R1.12063 C=CCOc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100015514636 [0,2,0,0,0,0|1,0,0]=3 1166 B15R1.12063 C=CCOc1ccc(cc1C(C)(C)C)Br 7a_100000704011_100015514636 [0,2,0,0,0,0|1,0,0]=3 1167 B15R1.12063 C=CCOc1ccc(cc1C(C)(C)C)C 34a_100000211090_100015514636 [0,2,0,0,0,0|1,0,0]=3 1168 B15R1.12063 C=CCOc1ccc(cc1C(C)(C)C)C 7a_100000211090_100015514636 [0,2,0,0,0,0|1,0,0]=3 1169 B15R1.12063 C=CCOc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100015514636 [0,2,0,0,0,0|1,0,0]=3 1170 B15R1.12063 C=CCOc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_100015514636 [0,2,0,0,0,0|1,0,0]=3 1171 B15R1.12063 C=CCSc1ccc(cc1C(C)(C)C)O 62a_100000210623_200010201835 [0,2,0,0,0,0|0,1,0]=3 1172 B15R1.12063 C=CCSc1ccc(cc1C(C)(C)C)O 62a_200010201835_100000210623 [0,2,0,0,0,0|0,1,0]=3 1173 B15R1.12063 CC(C)(C)c1cc(ccc1NCC#N)Br 2230a_100010286096_100011215382 [0,2,0,0,0,0|2,0,0]=4 1174 B15R1.12063 CC(C)(C)c1cc(ccc1NCC#N)Br 7a_100010286096_100011215382 [0,2,0,0,0,0|2,0,0]=4 1175 B15R1.12063 CC(C)(C)c1cc(ccc1NCC=O)Br 2230a_100010286096_200015260668 [0,2,0,0,0,0|2,0,0]=4 1176 B15R1.12063 CC(C)(C)c1cc(ccc1NCC=O)Br 34a_100010286096_200009817547 [0,2,0,0,0,0|2,0,0]=4 1177 B15R1.12063 CC(C)(C)c1cc(ccc1NCC=O)Br 7a_100010286096_200015260668 [0,2,0,0,0,0|2,0,0]=4 1178 B15R1.12063 CC(C)(C)c1cc(ccc1NCCF)Br 2230a_100010286096_100011217306 [0,2,0,0,0,0|2,0,0]=4 1179 B15R1.12063 CC(C)(C)c1cc(ccc1NCCF)Br 34a_100010286096_100011217306 [0,2,0,0,0,0|2,0,0]=4 1180 B15R1.12063 CC(C)(C)c1cc(ccc1NCCF)Br 7a_100010286096_100011217306 [0,2,0,0,0,0|2,0,0]=4 1181 B15R1.12063 CC(C)(C)c1cc(ccc1NCCO)Br 2230a_100010286096_100000211926 [0,2,0,0,0,0|2,0,0]=4 1182 B15R1.12063 CC(C)(C)c1cc(ccc1NCCO)Br 34a_100010286096_100000211926 [0,2,0,0,0,0|2,0,0]=4 1183 B15R1.12063 CC(C)(C)c1cc(ccc1NCCO)Br 7a_100010286096_100000211926 [0,2,0,0,0,0|2,0,0]=4 1184 B15R1.12063 CC(C)(C)c1cc(ccc1OCC#N)Br 7a_100000704011_100011215382 [0,2,0,0,0,0|1,0,0]=3 1185 B15R1.12063 CC(C)(C)c1cc(ccc1OCC#N)Cl 7a_100012180897_100011215382 [0,2,0,0,0,0|1,0,0]=3 1186 B15R1.12063 CC(C)(C)c1cc(ccc1OCC=O)Br 34a_100000704011_200009817547 [0,2,0,0,0,0|1,0,0]=3 1187 B15R1.12063 CC(C)(C)c1cc(ccc1OCC=O)Br 7a_100000704011_200015260668 [0,2,0,0,0,0|1,0,0]=3 1188 B15R1.12063 CC(C)(C)c1cc(ccc1OCC=O)Cl 34a_100012180897_200009817547 [0,2,0,0,0,0|1,0,0]=3 1189 B15R1.12063 CC(C)(C)c1cc(ccc1OCC=O)Cl 7a_100012180897_200015260668 [0,2,0,0,0,0|1,0,0]=3 1190 B15R1.12063 CC(C)(C)c1cc(ccc1OCCF)Br 34a_100000704011_100011217306 [0,2,0,0,0,0|1,0,0]=3 1191 B15R1.12063 CC(C)(C)c1cc(ccc1OCCF)Br 7a_100000704011_100011217306 [0,2,0,0,0,0|1,0,0]=3 1192 B15R1.12063 CC(C)(C)c1cc(ccc1OCCF)Cl 34a_100012180897_100011217306 [0,2,0,0,0,0|1,0,0]=3 1193 B15R1.12063 CC(C)(C)c1cc(ccc1OCCF)Cl 7a_100012180897_100011217306 [0,2,0,0,0,0|1,0,0]=3 1194 B15R1.12063 CC(C)(C)c1cc(ccc1OCCO)Br 34a_100000704011_100000211926 [0,2,0,0,0,0|1,0,0]=3 1195 B15R1.12063 CC(C)(C)c1cc(ccc1OCCO)Br 7a_100000704011_100000211926 [0,2,0,0,0,0|1,0,0]=3 1196 B15R1.12063 CC(C)(C)c1cc(ccc1OCCO)Cl 34a_100012180897_100000211926 [0,2,0,0,0,0|1,0,0]=3 1197 B15R1.12063 CC(C)(C)c1cc(ccc1OCCO)Cl 7a_100012180897_100000211926 [0,2,0,0,0,0|1,0,0]=3 1198 B15R1.12063 CC(C)(C)c1cc(ccc1SCC#N)O 62a_100011215382_200010201835 [0,2,0,0,0,0|0,1,0]=3 1199 B15R1.12063 CC(C)(C)c1cc(ccc1SCC#N)O 62a_200010201835_100011215382 [0,2,0,0,0,0|0,1,0]=3 1200 B15R1.12063 CC(C)(C)c1cc(ccc1SCC=O)O 62a_200010201835_200015260668 [0,2,0,0,0,0|0,1,0]=3 1201 B15R1.12063 CC(C)(C)c1cc(ccc1SCC=O)O 62a_200015260668_200010201835 [0,2,0,0,0,0|0,1,0]=3 1202 B15R1.12063 CC(C)(C)c1cc(ccc1SCCF)O 62a_100011217306_200010201835 [0,2,0,0,0,0|0,1,0]=3 1203 B15R1.12063 CC(C)(C)c1cc(ccc1SCCF)O 62a_200010201835_100011217306 [0,2,0,0,0,0|0,1,0]=3 1204 B15R1.12063 CC(C)(C)c1cc(ccc1SCCO)O 62a_100000211926_200010201835 [0,2,0,0,0,0|0,1,0]=3 1205 B15R1.12063 CC(C)(C)c1cc(ccc1SCCO)O 62a_200010201835_100000211926 [0,2,0,0,0,0|0,1,0]=3 1206 B15R1.12063 CCCCc1ccc(cc1C(C)(C)C)O 271570a_100020621405_200010201835 [0,2,0,0,0,0|1,0,0]=3 1207 B15R1.12063 CCCNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100000210303 [0,2,0,0,0,0|2,0,0]=4 1208 B15R1.12063 CCCNc1ccc(cc1C(C)(C)C)Br 34a_100010286096_100000210303 [0,2,0,0,0,0|2,0,0]=4 1209 B15R1.12063 CCCNc1ccc(cc1C(C)(C)C)Br 7a_100010286096_100000210303 [0,2,0,0,0,0|2,0,0]=4 1210 B15R1.12063 CCCOc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100000210303 [0,2,0,0,0,0|1,0,0]=3 1211 B15R1.12063 CCCOc1ccc(cc1C(C)(C)C)Br 7a_100000704011_100000210303 [0,2,0,0,0,0|1,0,0]=3 1212 B15R1.12063 CCCOc1ccc(cc1C(C)(C)C)C 34a_100000211090_100000210303 [0,2,0,0,0,0|1,0,0]=3 1213 B15R1.12063 CCCOc1ccc(cc1C(C)(C)C)C 7a_100000211090_100000210303 [0,2,0,0,0,0|1,0,0]=3 1214 B15R1.12063 CCCOc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100000210303 [0,2,0,0,0,0|1,0,0]=3 1215 B15R1.12063 CCCOc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_100000210303 [0,2,0,0,0,0|1,0,0]=3 1216 B15R1.12063 CCCSc1ccc(cc1C(C)(C)C)O 62a_100000210303_200010201835 [0,2,0,0,0,0|0,1,0]=3 1217 B15R1.12063 CCCSc1ccc(cc1C(C)(C)C)O 62a_200010201835_100000210303 [0,2,0,0,0,0|0,1,0]=3 1218 B15R1.12063 COCNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100000766300 [0,2,0,0,0,0|1,0,0]=3 1219 B15R1.12063 COCSc1ccc(cc1C(C)(C)C)O 62a_100000766300_200010201835 [0,2,0,0,0,0|0,0,0]=2 1220 B15R1.12063 COCSc1ccc(cc1C(C)(C)C)O 62a_200010201835_100000766300 [0,2,0,0,0,0|0,0,0]=2 1221 B15R1.12063 CSCNc1ccc(cc1C(C)(C)C)Br 2230a_100010286096_100011218213 [0,2,0,0,0,0|1,1,0]=4 1222 B15R1.12063 CSCNc1ccc(cc1C(C)(C)C)Br 34a_100010286096_100011218213 [0,2,0,0,0,0|1,1,0]=4 1223 B15R1.12063 CSCOc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100011218213 [0,2,0,0,0,0|1,0,0]=3 1224 B15R1.12063 CSCOc1ccc(cc1C(C)(C)C)C 34a_100000211090_100011218213 [0,2,0,0,0,0|1,0,0]=3 1225 B15R1.12063 CSCOc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100011218213 [0,2,0,0,0,0|1,0,0]=3 1226 B15R1.12063 CSCSc1ccc(cc1C(C)(C)C)O 62a_100011218213_200010201835 [0,2,0,0,0,0|0,1,0]=3 1227 B15R1.12063 CSCSc1ccc(cc1C(C)(C)C)O 62a_200010201835_100011218213 [0,2,0,0,0,0|0,1,0]=3 1228 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCC#N 7a_100000211090_100011215382 [0,2,0,0,0,0|1,0,0]=3 1229 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCC=O 34a_100000211090_200009817547 [0,2,0,0,0,0|1,0,0]=3 1230 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCC=O 7a_100000211090_200015260668 [0,2,0,0,0,0|1,0,0]=3 1231 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCCF 34a_100000211090_100011217306 [0,2,0,0,0,0|1,0,0]=3 1232 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCCF 7a_100000211090_100011217306 [0,2,0,0,0,0|1,0,0]=3 1233 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCCO 34a_100000211090_100000211926 [0,2,0,0,0,0|1,0,0]=3 1234 B15R1.12063 Cc1ccc(c(c1)C(C)(C)C)OCCO 7a_100000211090_100000211926 [0,2,0,0,0,0|1,0,0]=3 1235 B15R1.26735 CC(C)(C)c1cc(cc(c1NCF)Br)Br 34a_100010291532_100015361967 [0,2,0,0,0,0|2,0,0]=4 1236 B15R1.26735 CC(C)(C)c1cc(cc(c1NCF)Br)Br 7a_100010291532_100015361967 [0,2,0,0,0,0|2,0,0]=4 1237 B15R1.26735 CCNc1c(cc(cc1C(C)(C)C)Br)Br 34a_100010291532_100000210202 [0,2,0,0,0,0|2,0,0]=4 1238 B15R1.26735 CCNc1c(cc(cc1C(C)(C)C)Br)Br 7a_100010291532_100000210202 [0,2,0,0,0,0|2,0,0]=4 1239 B15R1.26735 CCOc1c(cc(cc1C(C)(C)C)C)C 34a_100000034471_100000210202 [0,2,0,0,0,0|1,0,0]=3 1240 B15R1.26735 CCOc1c(cc(cc1C(C)(C)C)C)C 7a_100000034471_100000210202 [0,2,0,0,0,0|1,0,0]=3 1241 B15R1.26735 Cc1cc(c(c(c1)C(C)(C)C)OCF)C 34a_100000034471_100015361967 [0,2,0,0,0,0|1,0,0]=3 1242 B15R1.26735 Cc1cc(c(c(c1)C(C)(C)C)OCF)C 7a_100000034471_100015361967 [0,2,0,0,0,0|1,0,0]=3 1243 B13R1.57 C=Cc1cc(cc(c1)C(C)(C)C)C 271570a_100011290941_200009817001 [0,0,1,1,0,0|2,0,0]=4 1244 B13R1.883 Cc1cc(ccc1NC(C)(C)C)O 34a_100000756630_100000210625 [0,0,1,1,0,0|2,0,0]=4 1245 B13R1.883 Cc1cc(ccc1SC(C)(C)C)O 62a_100000211941_100000690111 [0,0,1,1,0,0|2,0,0]=4 1246 B13R1.838 C[n+]1cccc(c1)C=CC(C)(C)C 271570a_100102527731_100009996589 [0,0,1,1,0,0|2,0,0]=4 1247 B13R1.838 Cc1cccc(c1)C=CC(C)(C)C 271570a_100102527731_100011215228 [0,0,1,1,0,0|2,0,0]=4 1248 B13R1.838 Cc1cccc(n1)C=CC(C)(C)C 271570a_100102527731_100000742759 [0,0,1,1,0,0|2,0,0]=4 1249 B13R1.2955 CC(C)(C)C=Cc1ccc(o1)C#N 271570a_100102527731_100000764468 [0,0,1,1,0,0|2,0,0]=4 1250 B13R1.2955 CC(C)(C)C=Cc1ccc(o1)C=O 271570a_100102527731_100000185145 [0,0,1,1,0,0|2,0,0]=4 1251 B13R1.2955 CC(C)(C)C=Cc1ccc(o1)CN 271570a_100102527731_100000708654 [0,0,1,1,0,0|2,0,0]=4 1252 B13R1.2955 CC(C)(C)C=Cc1ccc(o1)CO 271570a_100102527731_100000246276 [0,0,1,1,0,0|2,0,0]=4 1253 B13R1.2955 CCc1ccc(s1)C=CC(C)(C)C 271570a_100102527731_100009844052 [0,0,1,1,0,0|1,1,0]=4 1254 B13R1.2955 COc1nc(cs1)C=CC(C)(C)C 271570a_100102527731_100000727839 [0,0,1,1,0,0|2,0,0]=4 1255 B13R1.2955 COc1ncc(s1)C=CC(C)(C)C 271570a_100102527731_100000729428 [0,0,1,1,0,0|1,1,0]=4 1256 B13R1.3788 Cc1cccc(c1NC(C)(C)C)O 34a_100000743429_100000210625 [0,0,1,1,0,0|2,0,0]=4 1257 B13R1.3788 Cc1cccc(c1SC(C)(C)C)O 62a_100000211941_100000686692 [0,0,1,1,0,0|2,0,0]=4 1258 B13R1.3788 Cc1cccc(c1SC(C)(C)C)O 62a_100000686692_100000211941 [0,0,1,1,0,0|2,0,0]=4 1259 B13R2.66 CNc1ccc(cc1C2CC2)C 271570a_100011220607_100000221369 [1,0,0,1,0,0|2,0,0]=4 1260 B13R2.66 CNc1ccc(cc1C2CC2)F 271570a_100011220607_100011246292 [1,0,0,1,0,0|2,0,0]=4 1261 B13R2.66 CNc1ccc(cc1C2CC2)I 34a_100010997530_200000210301 [1,0,0,1,0,0|2,0,0]=4 1262 B13R2.66 CNc1ccc(cc1C2CC2)I 7a_100010997530_200000210301 [1,0,0,1,0,0|2,0,0]=4 1263 B13R2.66 COc1c[nH]c(=O)cc1C2CC2 271570a_100011220607_100121573661 [1,0,0,1,0,0|1,0,1]=4 1264 B13R2.66 COc1ccc(cc1C2CC2)Br 271570a_100011220607_100012351588 [1,0,0,1,0,0|1,0,0]=3 1265 B13R2.66 COc1ccc(cc1C2CC2)C 271570a_100011220607_100000186399 [1,0,0,1,0,0|1,0,0]=3 1266 B13R2.66 COc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011215930 [1,0,0,1,0,0|1,0,0]=3 1267 B13R2.66 COc1ccc(cc1C2CC2)F 271570a_100011220607_100000171694 [1,0,0,1,0,0|1,0,0]=3 1268 B13R2.66 COc1ccc(cc1C2CC2)N 271570a_100011220607_100000187427 [1,0,0,1,0,0|1,0,0]=3 1269 B13R2.66 COc1ccc(cc1C2CC2)O 271570a_100011220607_100010084122 [1,0,0,1,0,0|0,0,0]=2 1270 B13R2.66 COc1ccc(nc1C2CC2)C 271570a_100011220607_100009820875 [1,0,0,1,0,0|2,0,0]=4 1271 B13R2.66 COc1ccc(nc1C2CC2)N 271570a_100011220607_100010172607 [1,0,0,1,0,0|2,0,0]=4 1272 B13R2.66 COc1cnc(cc1C2CC2)C 271570a_100011220607_100010109759 [1,0,0,1,0,0|2,0,0]=4 1273 B13R2.66 COc1ncc(cc1C2CC2)Br 271570a_100011220607_100009814608 [1,0,0,1,0,0|2,0,0]=4 1274 B13R2.66 COc1ncc(cc1C2CC2)C 271570a_100011220607_100012353929 [1,0,0,1,0,0|2,0,0]=4 1275 B13R2.66 COc1ncc(cc1C2CC2)F 271570a_100011220607_100009828472 [1,0,0,1,0,0|2,0,0]=4 1276 B13R2.66 COc1ncc(cc1C2CC2)N 271570a_100011220607_100012351452 [1,0,0,1,0,0|2,0,0]=4 1277 B13R2.66 CSc1ccc(cc1C2CC2)C 271570a_100011220607_200010201864 [1,0,0,1,0,0|1,1,0]=4 1278 B13R2.66 CSc1ccc(cc1C2CC2)F 271570a_100011220607_100009817003 [1,0,0,1,0,0|1,1,0]=4 1279 B13R2.66 CSc1ccc(cc1C2CC2)N 62a_100010281208_200000210301 [1,0,0,1,0,0|1,1,0]=4 1280 B13R2.66 CSc1ccc(cc1C2CC2)N 62a_200000210301_100010281208 [1,0,0,1,0,0|1,1,0]=4 1281 B13R2.66 N#Cc1ccc(cc1C2CC2)O 271570a_100011220607_100012184851 [1,0,0,1,0,0|2,0,0]=4 1282 B13R2.66 O=Cc1ccc(cc1C2CC2)O 271570a_100011220607_100011236494 [1,0,0,1,0,0|2,0,0]=4 1283 B13R2.66 OCc1ccc(cc1C2CC2)O 271570a_100011220607_100010146404 [1,0,0,1,0,0|2,0,0]=4 1284 B13R2.66 [13CH3]Nc1ccc(cc1C2CC2)I 34a_100010997530_200025704644 [1,0,0,1,0,0|2,0,0]=4 1285 B13R2.66 [13CH3]Nc1ccc(cc1C2CC2)I 7a_100010997530_200025704644 [1,0,0,1,0,0|2,0,0]=4 1286 B13R2.66 [13CH3]Sc1ccc(cc1C2CC2)N 62a_100010281208_200025704644 [1,0,0,1,0,0|1,1,0]=4 1287 B13R2.66 [13CH3]Sc1ccc(cc1C2CC2)N 62a_200025704644_100010281208 [1,0,0,1,0,0|1,1,0]=4 1288 B13R2.162 CC1CCNc2c1cc(cc2)O 271570a_203496583355_200013856564 [1,0,0,1,0,0|1,0,0]=3 1289 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [1,0,0,1,0,0|2,0,0]=4 1290 B13R2.162 NC1CCSc2c1cc(cc2)O 271570a_203496583355_100000744474 [1,0,0,1,0,0|1,1,0]=4 1291 B13R2.162 N[C@H]1CCOc2c1cc(cc2)O 271570a_203496583355_100020639276 [1,0,0,1,0,0|1,0,0]=3 1292 B13R2.162 O=C1CCOc2c1cc(cc2)O 271570a_203496583355_100000243215 [1,0,0,1,0,0|1,0,1]=4 1293 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [1,0,0,1,0,0|2,0,0]=4 1294 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [1,0,0,1,0,0|1,0,0]=3 1295 B13R2.3791 CC1(CNc2c1cc(cc2)O)C 271570a_203496583355_100000756796 [1,0,0,1,0,0|1,0,0]=3 1296 B13R2.91 CSc1ccccc1C2(CC2)N 62a_200000210301_200000691159 [1,0,0,1,0,0|1,1,0]=4 1297 B13R2.91 CSc1ccccc1C2(CC2)N 62a_200000691159_200000210301 [1,0,0,1,0,0|1,1,0]=4 1298 B13R2.91 [13CH3]Sc1ccccc1C2(CC2)N 62a_200000691159_200025704644 [1,0,0,1,0,0|1,1,0]=4 1299 B13R2.91 [13CH3]Sc1ccccc1C2(CC2)N 62a_200025704644_200000691159 [1,0,0,1,0,0|1,1,0]=4 1300 B15R2.63911 CC1(CC(=O)c2ccc(cc2O1)O)C 271570a_203496583355_100012351679 [0,0,0,1,0,1|2,0,0]=4 1301 B15R2.4845 C=Cc1ccc2c(c1)C(CCN2)(C)C 271570a_100011290941_100016987449 [0,1,0,1,0,0|2,0,0]=4 1302 B15R2.4845 C=Cc1ccc2c(c1)C(CCS2)(C)C 271570a_100011290941_100010194334 [0,1,0,1,0,0|1,1,0]=4 1303 B15R2.4845 CC1(CCNc2c1cc(cc2)S[13CH3])C 62a_100016987449_200025704644 [0,1,0,1,0,0|1,1,0]=4 1304 B15R2.4845 CC1(CCNc2c1cc(cc2)S[13CH3])C 62a_200025704644_100016987449 [0,1,0,1,0,0|1,1,0]=4 1305 B15R2.4845 CC1(CCSc2c1cc(cc2)S[13CH3])C 62a_100010194334_200025704644 [0,1,0,1,0,0|0,2,0]=4 1306 B15R2.4845 CC1(CCSc2c1cc(cc2)S[13CH3])C 62a_200025704644_100010194334 [0,1,0,1,0,0|0,2,0]=4 1307 B15R2.4845 CSc1ccc2c(c1)C(CCN2)(C)C 62a_100016987449_200000210301 [0,1,0,1,0,0|1,1,0]=4 1308 B15R2.4845 CSc1ccc2c(c1)C(CCN2)(C)C 62a_200000210301_100016987449 [0,1,0,1,0,0|1,1,0]=4 1309 B15R2.4845 CSc1ccc2c(c1)C(CCS2)(C)C 62a_100010194334_200000210301 [0,1,0,1,0,0|0,2,0]=4 1310 B15R2.4845 CSc1ccc2c(c1)C(CCS2)(C)C 62a_200000210301_100010194334 [0,1,0,1,0,0|0,2,0]=4 1311 B15R2.7562 CC(C)(C)c1cc(ccc1C2CC2)O 271570a_100011220607_200010201835 [0,1,0,1,0,0|1,0,0]=3 1312 B15R2.13973 CC1(CC(=O)Nc2c1cc(cc2)O)C 271570a_203496583355_100009997882 [0,1,0,1,0,0|1,0,1]=4 1313 B15R2.39202 CNC1CC(c2c1ccc(c2)Br)(C)C 269862a_106832991636_100010990682 [0,1,0,1,0,0|2,0,0]=4 1314 B13R1.3089 CC(C)Oc1cc(ccc1N[13CH3])F 2230a_100000698198_200025704644 [1,0,0,0,0,1|2,0,0]=4 1315 B13R1.3089 CC(C)Oc1cc(ccc1N[13CH3])F 34a_100000698198_200025704644 [1,0,0,0,0,1|2,0,0]=4 1316 B13R1.3089 CC(C)Oc1cc(ccc1N[13CH3])F 7a_100000698198_200025704644 [1,0,0,0,0,1|2,0,0]=4 1317 B13R1.3089 CC(C)Oc1cc(ccc1S[13CH3])F 62a_200012359391_200025704644 [1,0,0,0,0,1|1,1,0]=4 1318 B13R1.3089 CC(C)Oc1cc(ccc1S[13CH3])F 62a_200025704644_200012359391 [1,0,0,0,0,1|1,1,0]=4 1319 B13R1.3089 CC(C)Sc1cc(ccc1C#N)O 62a_100000210206_100012184851 [1,0,0,0,0,1|2,0,0]=4 1320 B13R1.3089 CC(C)Sc1cc(ccc1C=O)O 62a_100000210206_100011236494 [1,0,0,0,0,1|2,0,0]=4 1321 B13R1.3089 CC(C)Sc1cc(ccc1C=O)O 62a_100011236494_100000210206 [1,0,0,0,0,1|2,0,0]=4 1322 B13R1.3089 CC(C)Sc1cc(ccc1CO)O 62a_100000210206_100010146404 [1,0,0,0,0,1|2,0,0]=4 1323 B13R1.3089 CC(C)Sc1cc(ccc1CO)O 62a_100010146404_100000210206 [1,0,0,0,0,1|2,0,0]=4 1324 B13R1.3089 CCc1ccc(cc1NC(C)C)Br 2230a_100012354963_100000210206 [1,0,0,0,0,1|2,0,0]=4 1325 B13R1.3089 CCc1ccc(cc1NC(C)C)Br 34a_100012354963_100000210206 [1,0,0,0,0,1|2,0,0]=4 1326 B13R1.3089 CCc1ccc(cc1NC(C)C)Br 7a_100012354963_100000210206 [1,0,0,0,0,1|2,0,0]=4 1327 B13R1.3089 CCc1ccc(cc1NC(C)C)Cl 2230a_200012281948_100000210206 [1,0,0,0,0,1|2,0,0]=4 1328 B13R1.3089 CCc1ccc(cc1NC(C)C)Cl 34a_200012281948_100000210206 [1,0,0,0,0,1|2,0,0]=4 1329 B13R1.3089 CCc1ccc(cc1NC(C)C)Cl 7a_200012281948_100000210206 [1,0,0,0,0,1|2,0,0]=4 1330 B13R1.3089 CN(C)Cc1cc(ccc1S[13CH3])O 62a_100011934597_200025704644 [1,0,0,0,0,1|1,1,0]=4 1331 B13R1.3089 CN(C)Cc1cc(ccc1S[13CH3])O 62a_200025704644_100011934597 [1,0,0,0,0,1|1,1,0]=4 1332 B13R1.3089 CNc1ccc(cc1OC(C)C)F 2230a_100000698198_200000210301 [1,0,0,0,0,1|2,0,0]=4 1333 B13R1.3089 CNc1ccc(cc1OC(C)C)F 34a_100000698198_200000210301 [1,0,0,0,0,1|2,0,0]=4 1334 B13R1.3089 CNc1ccc(cc1OC(C)C)F 7a_100000698198_200000210301 [1,0,0,0,0,1|2,0,0]=4 1335 B13R1.3089 CNc1ccc(cc1SC(C)C)C 62a_100000210206_100000221369 [1,0,0,0,0,1|2,0,0]=4 1336 B13R1.3089 CNc1ccc(cc1SC(C)C)C 62a_100000221369_100000210206 [1,0,0,0,0,1|2,0,0]=4 1337 B13R1.3089 CNc1ccc(cc1SC(C)C)F 62a_100000210206_100011246292 [1,0,0,0,0,1|2,0,0]=4 1338 B13R1.3089 CNc1ccc(cc1SC(C)C)F 62a_100011246292_100000210206 [1,0,0,0,0,1|2,0,0]=4 1339 B13R1.3089 COc1c[nH]c(=O)cc1SC(C)C 62a_100000210206_100121573661 [1,0,0,0,0,1|1,0,1]=4 1340 B13R1.3089 COc1c[nH]c(=O)cc1SC(C)C 62a_100121573661_100000210206 [1,0,0,0,0,1|1,0,1]=4 1341 B13R1.3089 COc1ccc(cc1C=C(C)C)Br 271570a_100102525489_100012351588 [1,0,0,0,0,1|1,0,1]=4 1342 B13R1.3089 COc1ccc(cc1C=C(C)C)C 271570a_100102525489_100000186399 [1,0,0,0,0,1|1,0,1]=4 1343 B13R1.3089 COc1ccc(cc1C=C(C)C)Cl 271570a_100102525489_100011215930 [1,0,0,0,0,1|1,0,1]=4 1344 B13R1.3089 COc1ccc(cc1C=C(C)C)F 271570a_100102525489_100000171694 [1,0,0,0,0,1|1,0,1]=4 1345 B13R1.3089 COc1ccc(cc1C=C(C)C)N 271570a_100102525489_100000187427 [1,0,0,0,0,1|1,0,1]=4 1346 B13R1.3089 COc1ccc(cc1C=C(C)C)O 271570a_100102525489_100010084122 [1,0,0,0,0,1|0,0,1]=3 1347 B13R1.3089 COc1ccc(cc1CC(=O)C)O 271570a_203496583355_200011493461 [1,0,0,0,0,1|1,0,1]=4 1348 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100000690607_200000210301 [1,0,0,0,0,1|2,0,0]=4 1349 B13R1.3089 COc1ccc(cc1CN(C)C)Br 2230a_100102631434_100000204665 [1,0,0,0,0,1|2,0,0]=4 1350 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100000690607_200000210301 [1,0,0,0,0,1|2,0,0]=4 1351 B13R1.3089 COc1ccc(cc1CN(C)C)Br 269982a_100102631434_100000204665 [1,0,0,0,0,1|2,0,0]=4 1352 B13R1.3089 COc1ccc(cc1CN(C)C)Br 270004a_100102631434_100000170026 [1,0,0,0,0,1|2,0,0]=4 1353 B13R1.3089 COc1ccc(cc1CN(C)C)C 2230a_100102631434_100000199068 [1,0,0,0,0,1|2,0,0]=4 1354 B13R1.3089 COc1ccc(cc1CN(C)C)C 269982a_100102631434_100000199068 [1,0,0,0,0,1|2,0,0]=4 1355 B13R1.3089 COc1ccc(cc1CN(C)C)C 270004a_100102631434_100000203738 [1,0,0,0,0,1|2,0,0]=4 1356 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100000737271_200000210301 [1,0,0,0,0,1|2,0,0]=4 1357 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100000209806 [1,0,0,0,0,1|2,0,0]=4 1358 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100000737271_200000210301 [1,0,0,0,0,1|2,0,0]=4 1359 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100000209806 [1,0,0,0,0,1|2,0,0]=4 1360 B13R1.3089 COc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100000188328 [1,0,0,0,0,1|2,0,0]=4 1361 B13R1.3089 COc1ccc(cc1CN(C)C)F 2230a_100102631434_100011830354 [1,0,0,0,0,1|2,0,0]=4 1362 B13R1.3089 COc1ccc(cc1CN(C)C)F 269982a_100102631434_100011830354 [1,0,0,0,0,1|2,0,0]=4 1363 B13R1.3089 COc1ccc(cc1CN(C)C)F 270004a_100102631434_100000722865 [1,0,0,0,0,1|2,0,0]=4 1364 B13R1.3089 COc1ccc(cc1CN(C)C)I 270004a_100102631434_100011266407 [1,0,0,0,0,1|2,0,0]=4 1365 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 2230a_100000690607_200025704644 [1,0,0,0,0,1|2,0,0]=4 1366 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Br 269982a_100000690607_200025704644 [1,0,0,0,0,1|2,0,0]=4 1367 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 2230a_100000737271_200025704644 [1,0,0,0,0,1|2,0,0]=4 1368 B13R1.3089 COc1ccc(cc1CN(C)[13CH3])Cl 269982a_100000737271_200025704644 [1,0,0,0,0,1|2,0,0]=4 1369 B13R1.3089 COc1ccc(cc1NC(=O)C)O 271570a_203496583355_200011407902 [1,0,0,0,0,1|1,0,1]=4 1370 B13R1.3089 COc1ccc(cc1NC(C)C)Br 34a_100000743470_100000210206 [1,0,0,0,0,1|1,0,0]=3 1371 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [1,0,0,0,0,1|1,0,0]=3 1372 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [1,0,0,0,0,1|1,0,0]=3 1373 B13R1.3089 COc1ccc(cc1NC(C)C)Cl 34a_100000182114_100000210206 [1,0,0,0,0,1|1,0,0]=3 1374 B13R1.3089 COc1ccc(cc1NC(C)C)F 34a_100000757179_100000210206 [1,0,0,0,0,1|1,0,0]=3 1375 B13R1.3089 COc1ccc(cc1OC(=O)C)O 271570a_203496583355_200011016479 [1,0,0,0,0,1|1,0,1]=4 1376 B13R1.3089 COc1ccc(cc1OC(C)C)Br 34a_100009816560_100000210206 [1,0,0,0,0,1|1,0,0]=3 1377 B13R1.3089 COc1ccc(cc1OC(C)C)Br 7a_100009816560_100000210206 [1,0,0,0,0,1|1,0,0]=3 1378 B13R1.3089 COc1ccc(cc1OC(C)C)C 34a_100011216497_100000210206 [1,0,0,0,0,1|1,0,0]=3 1379 B13R1.3089 COc1ccc(cc1OC(C)C)C 7a_100011216497_100000210206 [1,0,0,0,0,1|1,0,0]=3 1380 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 34a_100000101779_100000210206 [1,0,0,0,0,1|1,0,0]=3 1381 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 7a_100000101779_100000210206 [1,0,0,0,0,1|1,0,0]=3 1382 B13R1.3089 COc1ccc(cc1OC(C)C)F 34a_100000034962_100000210206 [1,0,0,0,0,1|1,0,0]=3 1383 B13R1.3089 COc1ccc(cc1OC(C)C)F 7a_100000034962_100000210206 [1,0,0,0,0,1|1,0,0]=3 1384 B13R1.3089 COc1ccc(cc1OC(C)C)N 34a_100000211920_100000210206 [1,0,0,0,0,1|1,0,0]=3 1385 B13R1.3089 COc1ccc(cc1OC(C)C)O 271570a_203496583355_200010232110 [1,0,0,0,0,1|0,0,0]=2 1386 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100000210206_100012351588 [1,0,0,0,0,1|1,0,0]=3 1387 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100012351588_100000210206 [1,0,0,0,0,1|1,0,0]=3 1388 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000186399_100000210206 [1,0,0,0,0,1|1,0,0]=3 1389 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000210206_100000186399 [1,0,0,0,0,1|1,0,0]=3 1390 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011215930 [1,0,0,0,0,1|1,0,0]=3 1391 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100011215930_100000210206 [1,0,0,0,0,1|1,0,0]=3 1392 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000171694_100000210206 [1,0,0,0,0,1|1,0,0]=3 1393 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000210206_100000171694 [1,0,0,0,0,1|1,0,0]=3 1394 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100000210206_100011356947 [1,0,0,0,0,1|1,0,0]=3 1395 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100011356947_100000210206 [1,0,0,0,0,1|1,0,0]=3 1396 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100000210206_100010234764 [1,0,0,0,0,1|0,0,0]=2 1397 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100010234764_100000210206 [1,0,0,0,0,1|0,0,0]=2 1398 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100000210206_100009820875 [1,0,0,0,0,1|2,0,0]=4 1399 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100009820875_100000210206 [1,0,0,0,0,1|2,0,0]=4 1400 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100000210206_100010172607 [1,0,0,0,0,1|2,0,0]=4 1401 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100010172607_100000210206 [1,0,0,0,0,1|2,0,0]=4 1402 B13R1.3089 COc1cnc(cc1OC(C)C)Br 34a_100010264082_100000210206 [1,0,0,0,0,1|2,0,0]=4 1403 B13R1.3089 COc1cnc(cc1OC(C)C)Cl 34a_100009849459_100000210206 [1,0,0,0,0,1|2,0,0]=4 1404 B13R1.3089 COc1cnc(cc1SC(C)C)C 62a_100000210206_100010109759 [1,0,0,0,0,1|2,0,0]=4 1405 B13R1.3089 COc1cnc(cc1SC(C)C)C 62a_100010109759_100000210206 [1,0,0,0,0,1|2,0,0]=4 1406 B13R1.3089 COc1ncc(cc1OC(C)C)Br 34a_100010135713_100000210206 [1,0,0,0,0,1|2,0,0]=4 1407 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100000210206_100009814608 [1,0,0,0,0,1|2,0,0]=4 1408 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100009814608_100000210206 [1,0,0,0,0,1|2,0,0]=4 1409 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100000210206_100012353929 [1,0,0,0,0,1|2,0,0]=4 1410 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100012353929_100000210206 [1,0,0,0,0,1|2,0,0]=4 1411 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100000210206_100009828472 [1,0,0,0,0,1|2,0,0]=4 1412 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100009828472_100000210206 [1,0,0,0,0,1|2,0,0]=4 1413 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100000210206_100012351452 [1,0,0,0,0,1|2,0,0]=4 1414 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100012351452_100000210206 [1,0,0,0,0,1|2,0,0]=4 1415 B13R1.3089 CSc1ccc(cc1CN(C)C)O 62a_100011934597_200000210301 [1,0,0,0,0,1|1,1,0]=4 1416 B13R1.3089 CSc1ccc(cc1CN(C)C)O 62a_200000210301_100011934597 [1,0,0,0,0,1|1,1,0]=4 1417 B13R1.3089 CSc1ccc(cc1NC(C)C)Cl 34a_100000745667_100000210206 [1,0,0,0,0,1|1,1,0]=4 1418 B13R1.3089 CSc1ccc(cc1OC(C)C)F 62a_200000210301_200012359391 [1,0,0,0,0,1|1,1,0]=4 1419 B13R1.3089 CSc1ccc(cc1OC(C)C)F 62a_200012359391_200000210301 [1,0,0,0,0,1|1,1,0]=4 1420 B13R1.3089 CSc1ccc(cc1SC(C)C)C 62a_100000210206_200010201864 [1,0,0,0,0,1|1,1,0]=4 1421 B13R1.3089 CSc1ccc(cc1SC(C)C)C 62a_200010201864_100000210206 [1,0,0,0,0,1|1,1,0]=4 1422 B13R1.3089 CSc1ccc(cc1SC(C)C)F 62a_100000210206_100009817003 [1,0,0,0,0,1|1,1,0]=4 1423 B13R1.3089 CSc1ccc(cc1SC(C)C)F 62a_100009817003_100000210206 [1,0,0,0,0,1|1,1,0]=4 1424 B13R1.622 C#Cc1ccccc1NC(C)(C)C 34a_100011470550_100000210625 [1,0,0,0,0,1|1,0,1]=4 1425 B13R1.622 C#Cc1ccccc1OC(C)(C)C 34a_200011470546_100000210625 [1,0,0,0,0,1|1,0,1]=4 1426 B13R1.622 C=Cc1ccccc1NC(C)(C)C 34a_100012022501_100000210625 [1,0,0,0,0,1|1,0,1]=4 1427 B13R1.622 C=Cc1ccccc1OC(C)(C)C 271570a_100011290941_100010078496 [1,0,0,0,0,1|1,0,1]=4 1428 B13R1.622 C=Cc1ccccc1SC(C)(C)C 62a_100000211941_100011218376 [1,0,0,0,0,1|1,0,1]=4 1429 B13R1.622 C=Cc1ccccc1SC(C)(C)C 62a_100011218376_100000211941 [1,0,0,0,0,1|1,0,1]=4 1430 B13R1.622 CC(C)(C)Nc1ccccc1C#N 34a_100000211148_100000210625 [1,0,0,0,0,1|2,0,0]=4 1431 B13R1.622 CC(C)(C)Nc1ccccc1CO 34a_100000212039_100000210625 [1,0,0,0,0,1|2,0,0]=4 1432 B13R1.622 CC(C)(C)Oc1ccccc1C#N 34a_100000211048_100000210625 [1,0,0,0,0,1|2,0,0]=4 1433 B13R1.622 CC(C)(C)Oc1ccccc1CN 34a_100000185550_100000210625 [1,0,0,0,0,1|2,0,0]=4 1434 B13R1.622 CC(C)(C)Oc1ccccc1CO 34a_100011216872_100000210625 [1,0,0,0,0,1|2,0,0]=4 1435 B13R1.622 CC(C)(C)Oc1ccccc1S[13CH3] 62a_100010078496_200025704644 [1,0,0,0,0,1|0,1,0]=3 1436 B13R1.622 CC(C)(C)Oc1ccccc1S[13CH3] 62a_200025704644_100010078496 [1,0,0,0,0,1|0,1,0]=3 1437 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_100011465193_200025704644 [1,0,0,0,0,1|1,1,0]=4 1438 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_200025704644_100011465193 [1,0,0,0,0,1|1,1,0]=4 1439 B13R1.622 CC(C)(C)Sc1ccccc1C#N 62a_100000211941_100000188569 [1,0,0,0,0,1|2,0,0]=4 1440 B13R1.622 CC(C)(C)Sc1ccccc1C=O 62a_100000210073_100000211941 [1,0,0,0,0,1|2,0,0]=4 1441 B13R1.622 CC(C)(C)Sc1ccccc1C=O 62a_100000211941_100000210073 [1,0,0,0,0,1|2,0,0]=4 1442 B13R1.622 CC(C)(C)Sc1ccccc1CN 62a_100000211941_100000689332 [1,0,0,0,0,1|2,0,0]=4 1443 B13R1.622 CC(C)(C)Sc1ccccc1CN 62a_100000689332_100000211941 [1,0,0,0,0,1|2,0,0]=4 1444 B13R1.622 CC(C)(C)Sc1ccccc1CO 62a_100000187465_100000211941 [1,0,0,0,0,1|2,0,0]=4 1445 B13R1.622 CC(C)(C)Sc1ccccc1CO 62a_100000211941_100000187465 [1,0,0,0,0,1|2,0,0]=4 1446 B13R1.622 CC(C)(C)Sc1ccccc1NN 62a_100000211941_100000241748 [1,0,0,0,0,1|2,0,0]=4 1447 B13R1.622 CC(C)(C)Sc1ccccc1NN 62a_100000241748_100000211941 [1,0,0,0,0,1|2,0,0]=4 1448 B13R1.622 CC(C)(C)Sc1ccccc1N[13CH3] 34a_100011229668_200025704644 [1,0,0,0,0,1|1,0,0]=3 1449 B13R1.622 CC(C)(C)Sc1ccccc1N[13CH3] 7a_100011229668_200025704644 [1,0,0,0,0,1|1,0,0]=3 1450 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_100161000475_200025704644 [1,0,0,0,0,1|1,1,0]=4 1451 B13R1.622 CC(C)(N)Cc1ccccc1S[13CH3] 62a_200025704644_100161000475 [1,0,0,0,0,1|1,1,0]=4 1452 B13R1.622 CCc1ccccc1NC(C)(C)C 34a_100000212081_100000210625 [1,0,0,0,0,1|1,0,0]=3 1453 B13R1.622 CCc1ccccc1OC(C)(C)C 34a_100000210936_100000210625 [1,0,0,0,0,1|1,0,0]=3 1454 B13R1.622 CCc1ccccc1SC(C)(C)C 62a_100000211941_100011215823 [1,0,0,0,0,1|1,0,0]=3 1455 B13R1.622 CCc1ccccc1SC(C)(C)C 62a_100011215823_100000211941 [1,0,0,0,0,1|1,0,0]=3 1456 B13R1.622 CCc1ccncc1SC(C)(C)C 62a_100000211941_100009819861 [1,0,0,0,0,1|2,0,0]=4 1457 B13R1.622 CCc1ccncc1SC(C)(C)C 62a_100009819861_100000211941 [1,0,0,0,0,1|2,0,0]=4 1458 B13R1.622 CCc1cnccc1SC(C)(C)C 62a_100000211941_100025704421 [1,0,0,0,0,1|2,0,0]=4 1459 B13R1.622 CCc1cnccc1SC(C)(C)C 62a_100025704421_100000211941 [1,0,0,0,0,1|2,0,0]=4 1460 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100000211941_100009877225 [1,0,0,0,0,1|2,0,0]=4 1461 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100009877225_100000211941 [1,0,0,0,0,1|2,0,0]=4 1462 B13R1.622 CNc1ccccc1OC(C)(C)C 34a_100000033821_100000210625 [1,0,0,0,0,1|1,0,0]=3 1463 B13R1.622 CNc1ccccc1SC(C)(C)C 34a_100011229668_200000210301 [1,0,0,0,0,1|1,0,0]=3 1464 B13R1.622 CNc1ccccc1SC(C)(C)C 62a_100000211941_100020606079 [1,0,0,0,0,1|1,0,0]=3 1465 B13R1.622 CNc1ccccc1SC(C)(C)C 62a_100020606079_100000211941 [1,0,0,0,0,1|1,0,0]=3 1466 B13R1.622 CNc1ccccc1SC(C)(C)C 7a_100011229668_200000210301 [1,0,0,0,0,1|1,0,0]=3 1467 B13R1.622 CNc1cccnc1SC(C)(C)C 62a_100000211941_200011806188 [1,0,0,0,0,1|2,0,0]=4 1468 B13R1.622 CNc1ccncc1SC(C)(C)C 62a_100000211941_100010069531 [1,0,0,0,0,1|2,0,0]=4 1469 B13R1.622 CNc1ccncc1SC(C)(C)C 62a_100010069531_100000211941 [1,0,0,0,0,1|2,0,0]=4 1470 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000211941_100000700899 [1,0,0,0,0,1|2,0,0]=4 1471 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000700899_100000211941 [1,0,0,0,0,1|2,0,0]=4 1472 B13R1.622 COc1ccccc1NC(C)(C)C 34a_100000210025_100000210625 [1,0,0,0,0,1|0,0,0]=2 1473 B13R1.622 COc1ccccc1OC(C)(C)C 34a_100000210385_100000210625 [1,0,0,0,0,1|0,0,0]=2 1474 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000210334_100000211941 [1,0,0,0,0,1|0,0,0]=2 1475 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000211941_100000210334 [1,0,0,0,0,1|0,0,0]=2 1476 B13R1.622 COc1cccnc1OC(C)(C)C 34a_100025773188_100000210625 [1,0,0,0,0,1|1,0,0]=3 1477 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000211941_100000690851 [1,0,0,0,0,1|1,0,0]=3 1478 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000767102_100000211941 [1,0,0,0,0,1|1,0,0]=3 1479 B13R1.622 COc1ccncc1OC(C)(C)C 34a_100000101186_100000210625 [1,0,0,0,0,1|1,0,0]=3 1480 B13R1.622 COc1ccncc1SC(C)(C)C 62a_100000211941_100011997281 [1,0,0,0,0,1|1,0,0]=3 1481 B13R1.622 COc1ccncc1SC(C)(C)C 62a_100011997281_100000211941 [1,0,0,0,0,1|1,0,0]=3 1482 B13R1.622 COc1cnccc1SC(C)(C)C 62a_100000211941_100016988167 [1,0,0,0,0,1|1,0,0]=3 1483 B13R1.622 COc1cnccc1SC(C)(C)C 62a_100016988167_100000211941 [1,0,0,0,0,1|1,0,0]=3 1484 B13R1.622 COc1cncnc1SC(C)(C)C 62a_100000211941_100012001275 [1,0,0,0,0,1|2,0,0]=4 1485 B13R1.622 COc1cncnc1SC(C)(C)C 62a_100012001275_100000211941 [1,0,0,0,0,1|2,0,0]=4 1486 B13R1.622 COc1ncccc1OC(C)(C)C 34a_100000698397_100000210625 [1,0,0,0,0,1|1,0,0]=3 1487 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000047025_100000211941 [1,0,0,0,0,1|1,0,0]=3 1488 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000211941_100000047025 [1,0,0,0,0,1|1,0,0]=3 1489 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100000211941_100000749998 [1,0,0,0,0,1|2,0,0]=4 1490 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100009858322_100000211941 [1,0,0,0,0,1|2,0,0]=4 1491 B13R1.622 COc1ncncc1SC(C)(C)C 62a_100000211941_100000719902 [1,0,0,0,0,1|2,0,0]=4 1492 B13R1.622 COc1ncncc1SC(C)(C)C 62a_100000719902_100000211941 [1,0,0,0,0,1|2,0,0]=4 1493 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_100161000475_200000210301 [1,0,0,0,0,1|1,1,0]=4 1494 B13R1.622 CSc1ccccc1CC(C)(C)N 62a_200000210301_100161000475 [1,0,0,0,0,1|1,1,0]=4 1495 B13R1.622 CSc1ccccc1NC(C)(C)C 34a_100000211160_100000210625 [1,0,0,0,0,1|0,1,0]=3 1496 B13R1.622 CSc1ccccc1OC(C)(C)C 34a_100011216402_100000210625 [1,0,0,0,0,1|0,1,0]=3 1497 B13R1.622 CSc1ccccc1OC(C)(C)C 62a_100010078496_200000210301 [1,0,0,0,0,1|0,1,0]=3 1498 B13R1.622 CSc1ccccc1OC(C)(C)C 62a_200000210301_100010078496 [1,0,0,0,0,1|0,1,0]=3 1499 B13R1.622 CSc1ccccc1SC(C)(C)C 62a_100000211941_100011217816 [1,0,0,0,0,1|0,1,0]=3 1500 B13R1.622 CSc1ccccc1SC(C)(C)C 62a_100011217816_100000211941 [1,0,0,0,0,1|0,1,0]=3 1501 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_100011465193_200000210301 [1,0,0,0,0,1|1,1,0]=4 1502 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_200000210301_100011465193 [1,0,0,0,0,1|1,1,0]=4 1503 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100000211941_100011465278 [1,0,0,0,0,1|1,1,0]=4 1504 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100011465278_100000211941 [1,0,0,0,0,1|1,1,0]=4 1505 B13R1.894 CC(C)(C)Nc1cc(ccc1Br)Br 34a_100000737762_100000210625 [1,0,0,0,0,1|2,0,0]=4 1506 B13R1.894 CC(C)(C)Nc1cc(ccc1Br)Cl 34a_100000687073_100000210625 [1,0,0,0,0,1|2,0,0]=4 1507 B13R1.894 CC(C)(C)Nc1cc(ccc1Br)F 34a_100000687223_100000210625 [1,0,0,0,0,1|2,0,0]=4 1508 B13R1.894 CC(C)(C)Nc1cc(ccc1Br)O 34a_100011999798_100000210625 [1,0,0,0,0,1|1,0,0]=3 1509 B13R1.894 CC(C)(C)Nc1cc(ccc1Cl)Br 34a_100000750497_100000210625 [1,0,0,0,0,1|2,0,0]=4 1510 B13R1.894 CC(C)(C)Nc1cc(ccc1Cl)Cl 34a_100000184485_100000210625 [1,0,0,0,0,1|2,0,0]=4 1511 B13R1.894 CC(C)(C)Nc1cc(ccc1Cl)F 34a_100000751338_100000210625 [1,0,0,0,0,1|2,0,0]=4 1512 B13R1.894 CC(C)(C)Nc1cc(ccc1Cl)I 34a_200000761891_100000210625 [1,0,0,0,0,1|2,0,0]=4 1513 B13R1.894 CC(C)(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000210625 [1,0,0,0,0,1|1,0,0]=3 1514 B13R1.894 CC(C)(C)Nc1cc(ccc1F)Br 34a_100000740924_100000210625 [1,0,0,0,0,1|2,0,0]=4 1515 B13R1.894 CC(C)(C)Nc1cc(ccc1F)Cl 34a_100000212115_100000210625 [1,0,0,0,0,1|2,0,0]=4 1516 B13R1.894 CC(C)(C)Nc1cc(ccc1F)F 34a_100000210742_100000210625 [1,0,0,0,0,1|2,0,0]=4 1517 B13R1.894 CC(C)(C)Nc1cc(ccc1F)I 34a_100011464823_100000210625 [1,0,0,0,0,1|2,0,0]=4 1518 B13R1.894 CC(C)(C)Nc1cc(ccc1F)O 34a_100012017239_100000210625 [1,0,0,0,0,1|1,0,0]=3 1519 B13R1.894 CC(C)(C)Nc1cc(ccc1I)Br 34a_100000743836_100000210625 [1,0,0,0,0,1|2,0,0]=4 1520 B13R1.894 CC(C)(C)Nc1cc(ccc1I)Cl 34a_100000761886_100000210625 [1,0,0,0,0,1|2,0,0]=4 1521 B13R1.894 CC(C)(C)Nc1cc(ccc1I)F 34a_100011218093_100000210625 [1,0,0,0,0,1|2,0,0]=4 1522 B13R1.894 CC(C)(C)Nc1cc(ccc1O)Br 34a_100000752626_100000210625 [1,0,0,0,0,1|1,0,0]=3 1523 B13R1.894 CC(C)(C)Nc1cc(ccc1O)Cl 34a_100000210500_100000210625 [1,0,0,0,0,1|1,0,0]=3 1524 B13R1.894 CC(C)(C)Nc1cc(ccc1O)F 34a_100000759472_100000210625 [1,0,0,0,0,1|1,0,0]=3 1525 B13R1.894 CC(C)(C)Oc1cc(ccc1Br)Br 34a_100011220040_100000210625 [1,0,0,0,0,1|2,0,0]=4 1526 B13R1.894 CC(C)(C)Oc1cc(ccc1Br)Cl 34a_100012339455_100000210625 [1,0,0,0,0,1|2,0,0]=4 1527 B13R1.894 CC(C)(C)Oc1cc(ccc1Br)F 34a_100000690578_100000210625 [1,0,0,0,0,1|2,0,0]=4 1528 B13R1.894 CC(C)(C)Oc1cc(ccc1Br)I 34a_100012356990_100000210625 [1,0,0,0,0,1|2,0,0]=4 1529 B13R1.894 CC(C)(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100000210625 [1,0,0,0,0,1|2,0,0]=4 1530 B13R1.894 CC(C)(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100000210625 [1,0,0,0,0,1|2,0,0]=4 1531 B13R1.894 CC(C)(C)Oc1cc(ccc1Cl)F 34a_100000692107_100000210625 [1,0,0,0,0,1|2,0,0]=4 1532 B13R1.894 CC(C)(C)Oc1cc(ccc1Cl)I 34a_100011356854_100000210625 [1,0,0,0,0,1|2,0,0]=4 1533 B13R1.894 CC(C)(C)Oc1cc(ccc1Cl)N 34a_100011934209_100000210625 [1,0,0,0,0,1|2,0,0]=4 1534 B13R1.894 CC(C)(C)Oc1cc(ccc1F)Br 34a_100000686035_100000210625 [1,0,0,0,0,1|2,0,0]=4 1535 B13R1.894 CC(C)(C)Oc1cc(ccc1F)Cl 34a_100000757397_100000210625 [1,0,0,0,0,1|2,0,0]=4 1536 B13R1.894 CC(C)(C)Oc1cc(ccc1F)F 34a_100000752141_100000210625 [1,0,0,0,0,1|2,0,0]=4 1537 B13R1.894 CC(C)(C)Oc1cc(ccc1F)I 34a_100009958187_100000210625 [1,0,0,0,0,1|2,0,0]=4 1538 B13R1.894 CC(C)(C)Oc1cc(ccc1F)N 34a_100012017398_100000210625 [1,0,0,0,0,1|2,0,0]=4 1539 B13R1.894 CC(C)(C)Oc1cc(ccc1I)Br 34a_100012344904_100000210625 [1,0,0,0,0,1|2,0,0]=4 1540 B13R1.894 CC(C)(C)Oc1cc(ccc1I)Cl 34a_100000050036_100000210625 [1,0,0,0,0,1|2,0,0]=4 1541 B13R1.894 CC(C)(C)Oc1cc(ccc1I)F 34a_100010084537_100000210625 [1,0,0,0,0,1|2,0,0]=4 1542 B13R1.894 CC(C)(C)Oc1cc(ccc1N)Br 34a_100000739049_100000210625 [1,0,0,0,0,1|2,0,0]=4 1543 B13R1.894 CC(C)(C)Oc1cc(ccc1N)Cl 34a_100000185728_100000210625 [1,0,0,0,0,1|2,0,0]=4 1544 B13R1.894 CC(C)(C)Oc1cc(ccc1N)F 34a_100000753323_100000210625 [1,0,0,0,0,1|2,0,0]=4 1545 B13R1.894 CC(C)(C)Oc1cc(ccc1N)I 34a_100000057187_100000210625 [1,0,0,0,0,1|2,0,0]=4 1546 B13R1.894 CC(C)(C)Oc1cc(ccc1N)N 34a_100025717382_100000210625 [1,0,0,0,0,1|2,0,0]=4 1547 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)Br 62a_100000211941_100011483371 [1,0,0,0,0,1|2,0,0]=4 1548 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)Br 62a_100011483371_100000211941 [1,0,0,0,0,1|2,0,0]=4 1549 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)Cl 62a_100000211941_100012339723 [1,0,0,0,0,1|2,0,0]=4 1550 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)Cl 62a_100012339723_100000211941 [1,0,0,0,0,1|2,0,0]=4 1551 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)F 62a_100000211941_100011217576 [1,0,0,0,0,1|2,0,0]=4 1552 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)F 62a_100011217576_100000211941 [1,0,0,0,0,1|2,0,0]=4 1553 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)N 62a_100000211941_100000750459 [1,0,0,0,0,1|2,0,0]=4 1554 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)N 62a_100000750459_100000211941 [1,0,0,0,0,1|2,0,0]=4 1555 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)O 62a_100000211941_100012339312 [1,0,0,0,0,1|1,0,0]=3 1556 B13R1.894 CC(C)(C)Sc1cc(ccc1Br)O 62a_100012339312_100000211941 [1,0,0,0,0,1|1,0,0]=3 1557 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)Br 62a_100000211941_100011772130 [1,0,0,0,0,1|2,0,0]=4 1558 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100000211941 [1,0,0,0,0,1|2,0,0]=4 1559 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)Cl 62a_100000211941_100000707729 [1,0,0,0,0,1|2,0,0]=4 1560 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100000211941 [1,0,0,0,0,1|2,0,0]=4 1561 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)F 62a_100000211941_100011217299 [1,0,0,0,0,1|2,0,0]=4 1562 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)F 62a_100011217299_100000211941 [1,0,0,0,0,1|2,0,0]=4 1563 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)N 62a_100000211941_100012360549 [1,0,0,0,0,1|2,0,0]=4 1564 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)N 62a_100012360549_100000211941 [1,0,0,0,0,1|2,0,0]=4 1565 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000211941 [1,0,0,0,0,1|1,0,0]=3 1566 B13R1.894 CC(C)(C)Sc1cc(ccc1Cl)O 62a_100000211941_100000049588 [1,0,0,0,0,1|1,0,0]=3 1567 B13R1.894 CC(C)(C)Sc1cc(ccc1F)Br 62a_100000211941_100011217312 [1,0,0,0,0,1|2,0,0]=4 1568 B13R1.894 CC(C)(C)Sc1cc(ccc1F)Br 62a_100011217312_100000211941 [1,0,0,0,0,1|2,0,0]=4 1569 B13R1.894 CC(C)(C)Sc1cc(ccc1F)Cl 62a_100000211941_100011218116 [1,0,0,0,0,1|2,0,0]=4 1570 B13R1.894 CC(C)(C)Sc1cc(ccc1F)Cl 62a_100011218116_100000211941 [1,0,0,0,0,1|2,0,0]=4 1571 B13R1.894 CC(C)(C)Sc1cc(ccc1F)F 62a_100000211941_100011219198 [1,0,0,0,0,1|2,0,0]=4 1572 B13R1.894 CC(C)(C)Sc1cc(ccc1F)F 62a_100011219198_100000211941 [1,0,0,0,0,1|2,0,0]=4 1573 B13R1.894 CC(C)(C)Sc1cc(ccc1F)N 62a_100000211941_100000760356 [1,0,0,0,0,1|2,0,0]=4 1574 B13R1.894 CC(C)(C)Sc1cc(ccc1F)N 62a_100000760356_100000211941 [1,0,0,0,0,1|2,0,0]=4 1575 B13R1.894 CC(C)(C)Sc1cc(ccc1F)O 62a_100000211941_100000693481 [1,0,0,0,0,1|1,0,0]=3 1576 B13R1.894 CC(C)(C)Sc1cc(ccc1F)O 62a_100000693481_100000211941 [1,0,0,0,0,1|1,0,0]=3 1577 B13R1.894 CC(C)(C)Sc1cc(ccc1N)Br 62a_100000187925_100000211941 [1,0,0,0,0,1|2,0,0]=4 1578 B13R1.894 CC(C)(C)Sc1cc(ccc1N)Br 62a_100000211941_100000187925 [1,0,0,0,0,1|2,0,0]=4 1579 B13R1.894 CC(C)(C)Sc1cc(ccc1N)Cl 62a_100000211941_100000761889 [1,0,0,0,0,1|2,0,0]=4 1580 B13R1.894 CC(C)(C)Sc1cc(ccc1N)Cl 62a_100000761889_100000211941 [1,0,0,0,0,1|2,0,0]=4 1581 B13R1.894 CC(C)(C)Sc1cc(ccc1N)F 62a_100000211941_100000760547 [1,0,0,0,0,1|2,0,0]=4 1582 B13R1.894 CC(C)(C)Sc1cc(ccc1N)F 62a_100000760547_100000211941 [1,0,0,0,0,1|2,0,0]=4 1583 B13R1.894 CC(C)(C)Sc1cc(ccc1N)N 62a_100000211941_100011534242 [1,0,0,0,0,1|2,0,0]=4 1584 B13R1.894 CC(C)(C)Sc1cc(ccc1N)N 62a_100011534242_100000211941 [1,0,0,0,0,1|2,0,0]=4 1585 B13R1.894 CC(C)(C)Sc1cc(ccc1N)O 62a_100000211941_100012001276 [1,0,0,0,0,1|1,0,0]=3 1586 B13R1.894 CC(C)(C)Sc1cc(ccc1N)O 62a_100012001276_100000211941 [1,0,0,0,0,1|1,0,0]=3 1587 B13R1.894 CC(C)(C)Sc1cc(ccc1O)Br 62a_100000211941_100012355227 [1,0,0,0,0,1|1,0,0]=3 1588 B13R1.894 CC(C)(C)Sc1cc(ccc1O)Br 62a_100012355227_100000211941 [1,0,0,0,0,1|1,0,0]=3 1589 B13R1.894 CC(C)(C)Sc1cc(ccc1O)Cl 62a_100000211941_100011356953 [1,0,0,0,0,1|1,0,0]=3 1590 B13R1.894 CC(C)(C)Sc1cc(ccc1O)Cl 62a_100011356953_100000211941 [1,0,0,0,0,1|1,0,0]=3 1591 B13R1.894 CC(C)(C)Sc1cc(ccc1O)F 62a_100000211941_100000211999 [1,0,0,0,0,1|1,0,0]=3 1592 B13R1.894 CC(C)(C)Sc1cc(ccc1O)F 62a_100000211999_100000211941 [1,0,0,0,0,1|1,0,0]=3 1593 B13R1.894 CC(C)(C)Sc1cc(ccc1O)N 62a_100000211941_100011534360 [1,0,0,0,0,1|1,0,0]=3 1594 B13R1.894 CC(C)(C)Sc1cc(ccc1O)N 62a_100011534360_100000211941 [1,0,0,0,0,1|1,0,0]=3 1595 B13R1.894 CC(C)(C)Sc1cc(ccc1O)O 62a_100000211941_100009813629 [1,0,0,0,0,1|0,0,0]=2 1596 B13R1.894 CC(C)(C)Sc1cc(cnc1F)O 62a_100000211941_100009817267 [1,0,0,0,0,1|2,0,0]=4 1597 B13R1.894 CC(C)(C)Sc1cc(cnc1F)O 62a_100009817267_100000211941 [1,0,0,0,0,1|2,0,0]=4 1598 B13R1.894 CC(C)(C)Sc1cc(cnc1O)Br 62a_100000211941_100010197142 [1,0,0,0,0,1|2,0,0]=4 1599 B13R1.894 CC(C)(C)Sc1cc(cnc1O)Br 62a_100010197142_100000211941 [1,0,0,0,0,1|2,0,0]=4 1600 B13R1.894 CC(C)(C)Sc1cc(cnc1O)Cl 62a_100000211941_100010188700 [1,0,0,0,0,1|2,0,0]=4 1601 B13R1.894 CC(C)(C)Sc1cc(cnc1O)Cl 62a_100010188700_100000211941 [1,0,0,0,0,1|2,0,0]=4 1602 B13R1.894 CC(C)(C)Sc1cc(ncc1O)Cl 62a_100000211941_100000698892 [1,0,0,0,0,1|2,0,0]=4 1603 B13R1.894 CC(C)(C)Sc1cc(ncc1O)Cl 62a_100000698892_100000211941 [1,0,0,0,0,1|2,0,0]=4 1604 B13R1.894 CC(C)(C)Sc1cc(nnc1O)O 62a_100000211941_100000759565 [1,0,0,0,0,1|2,0,0]=4 1605 B13R1.894 CC(C)(C)Sc1nc(ccc1O)Br 62a_100000211941_100010253912 [1,0,0,0,0,1|2,0,0]=4 1606 B13R1.894 CC(C)(C)Sc1nc(ccc1O)Br 62a_100010253912_100000211941 [1,0,0,0,0,1|2,0,0]=4 1607 B13R1.894 CC(C)(C)Sc1nc(ccc1O)Cl 62a_100000211941_100000696390 [1,0,0,0,0,1|2,0,0]=4 1608 B13R1.894 CC(C)(C)Sc1nc(ccc1O)F 62a_100000211941_100010382442 [1,0,0,0,0,1|2,0,0]=4 1609 B13R1.894 CC(C)(C)Sc1nc(ccc1O)F 62a_100010382442_100000211941 [1,0,0,0,0,1|2,0,0]=4 1610 B13R1.894 Cc1cc(c(cn1)C)SC(C)(C)C 62a_100000211941_100009862788 [1,0,0,0,0,1|2,0,0]=4 1611 B13R1.894 Cc1cc(c(cn1)C)SC(C)(C)C 62a_100009862788_100000211941 [1,0,0,0,0,1|2,0,0]=4 1612 B13R1.894 Cc1cc(c(cn1)O)SC(C)(C)C 62a_100000211941_100009843476 [1,0,0,0,0,1|2,0,0]=4 1613 B13R1.894 Cc1cc(c(cn1)O)SC(C)(C)C 62a_100009843476_100000211941 [1,0,0,0,0,1|2,0,0]=4 1614 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)Br 34a_100000745044_100000210625 [1,0,0,0,0,1|2,0,0]=4 1615 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)C 34a_100000185781_100000210625 [1,0,0,0,0,1|1,0,0]=3 1616 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)Cl 34a_100011215360_100000210625 [1,0,0,0,0,1|2,0,0]=4 1617 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)F 34a_100000211285_100000210625 [1,0,0,0,0,1|2,0,0]=4 1618 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)I 34a_100011216686_100000210625 [1,0,0,0,0,1|2,0,0]=4 1619 B13R1.894 Cc1ccc(c(c1)NC(C)(C)C)O 34a_100011215204_100000210625 [1,0,0,0,0,1|1,0,0]=3 1620 B13R1.894 Cc1ccc(c(c1)OC(C)(C)C)Br 34a_100012002257_100000210625 [1,0,0,0,0,1|2,0,0]=4 1621 B13R1.894 Cc1ccc(c(c1)OC(C)(C)C)C 34a_100000210931_100000210625 [1,0,0,0,0,1|1,0,0]=3 1622 B13R1.894 Cc1ccc(c(c1)OC(C)(C)C)Cl 34a_100000211493_100000210625 [1,0,0,0,0,1|2,0,0]=4 1623 B13R1.894 Cc1ccc(c(c1)OC(C)(C)C)F 34a_100000759540_100000210625 [1,0,0,0,0,1|2,0,0]=4 1624 B13R1.894 Cc1ccc(c(c1)OC(C)(C)C)N 34a_100000211527_100000210625 [1,0,0,0,0,1|2,0,0]=4 1625 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)Br 62a_100000211941_100012353751 [1,0,0,0,0,1|2,0,0]=4 1626 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)Br 62a_100012353751_100000211941 [1,0,0,0,0,1|2,0,0]=4 1627 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)C 62a_100000210833_100000211941 [1,0,0,0,0,1|1,0,0]=3 1628 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)C 62a_100000211941_100000210833 [1,0,0,0,0,1|1,0,0]=3 1629 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)Cl 62a_100000211941_100012356289 [1,0,0,0,0,1|2,0,0]=4 1630 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)Cl 62a_100012356289_100000211941 [1,0,0,0,0,1|2,0,0]=4 1631 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)F 62a_100000211941_100000736223 [1,0,0,0,0,1|2,0,0]=4 1632 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)F 62a_100000736223_100000211941 [1,0,0,0,0,1|2,0,0]=4 1633 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)N 62a_100000211941_100011356834 [1,0,0,0,0,1|2,0,0]=4 1634 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)N 62a_100011356834_100000211941 [1,0,0,0,0,1|2,0,0]=4 1635 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)O 62a_100000211941_100000765521 [1,0,0,0,0,1|1,0,0]=3 1636 B13R1.894 Cc1ccc(c(c1)SC(C)(C)C)O 62a_100000765521_100000211941 [1,0,0,0,0,1|1,0,0]=3 1637 B13R1.894 Cc1ccc(c(n1)SC(C)(C)C)C 62a_100000211941_100009854376 [1,0,0,0,0,1|2,0,0]=4 1638 B13R1.894 Cc1ccc(c(n1)SC(C)(C)C)C 62a_100009854376_100000211941 [1,0,0,0,0,1|2,0,0]=4 1639 B13R1.894 Cc1ccc(c(n1)SC(C)(C)C)O 62a_100000211941_100000702858 [1,0,0,0,0,1|2,0,0]=4 1640 B13R1.894 Cc1ccc(c(n1)SC(C)(C)C)O 62a_100000702858_100000211941 [1,0,0,0,0,1|2,0,0]=4 1641 B13R1.894 Cc1ccc(cc1NC(C)(C)C)Br 34a_100000741167_100000210625 [1,0,0,0,0,1|1,0,0]=3 1642 B13R1.894 Cc1ccc(cc1NC(C)(C)C)Cl 34a_100000211374_100000210625 [1,0,0,0,0,1|1,0,0]=3 1643 B13R1.894 Cc1ccc(cc1NC(C)(C)C)F 34a_100000211107_100000210625 [1,0,0,0,0,1|1,0,0]=3 1644 B13R1.894 Cc1ccc(cc1NC(C)(C)C)O 34a_100011216113_100000210625 [1,0,0,0,0,1|0,0,0]=2 1645 B13R1.894 Cc1ccc(cc1OC(C)(C)C)Br 34a_100000685420_100000210625 [1,0,0,0,0,1|1,0,0]=3 1646 B13R1.894 Cc1ccc(cc1OC(C)(C)C)Cl 34a_100000756515_100000210625 [1,0,0,0,0,1|1,0,0]=3 1647 B13R1.894 Cc1ccc(cc1OC(C)(C)C)F 34a_100000690566_100000210625 [1,0,0,0,0,1|1,0,0]=3 1648 B13R1.894 Cc1ccc(cc1OC(C)(C)C)N 34a_100000759471_100000210625 [1,0,0,0,0,1|1,0,0]=3 1649 B13R1.894 Cc1ccc(cc1SC(C)(C)C)Br 62a_100000211941_100011344865 [1,0,0,0,0,1|1,0,0]=3 1650 B13R1.894 Cc1ccc(cc1SC(C)(C)C)Br 62a_100011344865_100000211941 [1,0,0,0,0,1|1,0,0]=3 1651 B13R1.894 Cc1ccc(cc1SC(C)(C)C)Cl 62a_100000211941_100011263213 [1,0,0,0,0,1|1,0,0]=3 1652 B13R1.894 Cc1ccc(cc1SC(C)(C)C)Cl 62a_100011263213_100000211941 [1,0,0,0,0,1|1,0,0]=3 1653 B13R1.894 Cc1ccc(cc1SC(C)(C)C)F 62a_100000211941_100011218078 [1,0,0,0,0,1|1,0,0]=3 1654 B13R1.894 Cc1ccc(cc1SC(C)(C)C)F 62a_100011218078_100000211941 [1,0,0,0,0,1|1,0,0]=3 1655 B13R1.894 Cc1ccc(cc1SC(C)(C)C)N 62a_100000211941_100000736455 [1,0,0,0,0,1|1,0,0]=3 1656 B13R1.894 Cc1ccc(cc1SC(C)(C)C)N 62a_100000736455_100000211941 [1,0,0,0,0,1|1,0,0]=3 1657 B13R1.894 Cc1ccc(cc1SC(C)(C)C)O 62a_100000211941_100011380479 [1,0,0,0,0,1|0,0,0]=2 1658 B13R1.894 Cc1ccc(cc1SC(C)(C)C)O 62a_100011380479_100000211941 [1,0,0,0,0,1|0,0,0]=2 1659 B13R1.894 Cc1ccc(nc1SC(C)(C)C)N 62a_100000126722_100000211941 [1,0,0,0,0,1|2,0,0]=4 1660 B13R1.894 Cc1ccc(nc1SC(C)(C)C)N 62a_100000211941_100000126722 [1,0,0,0,0,1|2,0,0]=4 1661 B13R1.894 Cc1cnc(c(c1)SC(C)(C)C)C 62a_100000211941_100009817436 [1,0,0,0,0,1|2,0,0]=4 1662 B13R1.894 Cc1cnc(c(c1)SC(C)(C)C)C 62a_100009817436_100000211941 [1,0,0,0,0,1|2,0,0]=4 1663 B13R1.894 Cc1cnc(c(c1)SC(C)(C)C)O 62a_100000211941_100000719714 [1,0,0,0,0,1|2,0,0]=4 1664 B13R1.894 Cc1cnc(c(c1)SC(C)(C)C)O 62a_100000719714_100000211941 [1,0,0,0,0,1|2,0,0]=4 1665 B13R1.894 Cc1cnc(cc1OC(C)(C)C)Br 34a_100000704368_100000210625 [1,0,0,0,0,1|2,0,0]=4 1666 B13R1.894 Cc1cnc(cc1SC(C)(C)C)Br 62a_100000211941_100010067628 [1,0,0,0,0,1|2,0,0]=4 1667 B13R1.894 Cc1cnc(cc1SC(C)(C)C)Br 62a_100010067628_100000211941 [1,0,0,0,0,1|2,0,0]=4 1668 B13R1.894 Cc1cnc(cc1SC(C)(C)C)Cl 62a_100000211941_100010068021 [1,0,0,0,0,1|2,0,0]=4 1669 B13R1.894 Cc1cnc(cc1SC(C)(C)C)Cl 62a_100010068021_100000211941 [1,0,0,0,0,1|2,0,0]=4 1670 B13R1.894 Cc1cnc(cc1SC(C)(C)C)F 62a_100000049870_100000211941 [1,0,0,0,0,1|2,0,0]=4 1671 B13R1.894 Cc1cnc(cc1SC(C)(C)C)F 62a_100000211941_100000049870 [1,0,0,0,0,1|2,0,0]=4 1672 B13R1.894 Cc1cnc(cc1SC(C)(C)C)N 62a_100000211941_100009819938 [1,0,0,0,0,1|2,0,0]=4 1673 B13R1.894 Cc1cnc(cc1SC(C)(C)C)N 62a_100009819938_100000211941 [1,0,0,0,0,1|2,0,0]=4 1674 B13R1.894 Cc1cnc(cc1SC(C)(C)C)O 62a_100000211941_100009831917 [1,0,0,0,0,1|1,0,0]=3 1675 B13R1.894 Cc1cnc(cc1SC(C)(C)C)O 62a_100009831917_100000211941 [1,0,0,0,0,1|1,0,0]=3 1676 B13R1.894 Cc1ncc(cc1OC(C)(C)C)Br 34a_100009864810_100000210625 [1,0,0,0,0,1|2,0,0]=4 1677 B13R1.894 Cc1ncc(cc1SC(C)(C)C)Br 62a_100000211941_200010090566 [1,0,0,0,0,1|2,0,0]=4 1678 B13R1.894 Cc1ncc(cc1SC(C)(C)C)Br 62a_200010090566_100000211941 [1,0,0,0,0,1|2,0,0]=4 1679 B13R1.894 Cc1ncc(cc1SC(C)(C)C)F 62a_100000211941_100009860710 [1,0,0,0,0,1|2,0,0]=4 1680 B13R1.894 Cc1ncc(cc1SC(C)(C)C)F 62a_100009860710_100000211941 [1,0,0,0,0,1|2,0,0]=4 1681 B13R1.894 Cc1ncc(cc1SC(C)(C)C)N 62a_100000211941_100011998591 [1,0,0,0,0,1|2,0,0]=4 1682 B13R1.894 Cc1ncc(cc1SC(C)(C)C)N 62a_100011998591_100000211941 [1,0,0,0,0,1|2,0,0]=4 1683 B13R1.894 Cc1ncc(cc1SC(C)(C)C)O 62a_100000211941_100009819603 [1,0,0,0,0,1|1,0,0]=3 1684 B13R1.894 Cc1ncc(cc1SC(C)(C)C)O 62a_100009819603_100000211941 [1,0,0,0,0,1|1,0,0]=3 1685 B15R1.12846 CC(C)(C)C=Cc1cc(ccc1C#N)O 271570a_100102527731_100012184851 [0,0,0,0,0,2|2,0,0]=4 1686 B15R1.12846 CC(C)(C)C=Cc1cc(ccc1C=O)O 271570a_100102527731_100011236494 [0,0,0,0,0,2|2,0,0]=4 1687 B15R1.12846 CC(C)(C)C=Cc1cc(ccc1CO)O 271570a_100102527731_100010146404 [0,0,0,0,0,2|2,0,0]=4 1688 B15R1.12846 CC(C)(C)CSc1cc(ccc1C#N)O 62a_100011219605_100012184851 [0,0,0,0,0,2|2,0,0]=4 1689 B15R1.12846 CC(C)(C)CSc1cc(ccc1C=O)O 62a_100011219605_100011236494 [0,0,0,0,0,2|2,0,0]=4 1690 B15R1.12846 CC(C)(C)CSc1cc(ccc1C=O)O 62a_100011236494_100011219605 [0,0,0,0,0,2|2,0,0]=4 1691 B15R1.12846 CC(C)(C)CSc1cc(ccc1CO)O 62a_100010146404_100011219605 [0,0,0,0,0,2|2,0,0]=4 1692 B15R1.12846 CC(C)(C)CSc1cc(ccc1CO)O 62a_100011219605_100010146404 [0,0,0,0,0,2|2,0,0]=4 1693 B15R1.12846 CCc1ccc(cc1COC(C)(C)C)Br 34a_100010766240_100000210625 [0,0,0,0,0,2|2,0,0]=4 1694 B15R1.12846 CCc1ccc(cc1NCC(C)(C)C)Br 34a_100012354963_100011219605 [0,0,0,0,0,2|2,0,0]=4 1695 B15R1.12846 CCc1ccc(cc1NCC(C)(C)C)Cl 34a_200012281948_100011219605 [0,0,0,0,0,2|2,0,0]=4 1696 B15R1.12846 CNc1ccc(cc1C=CC(C)(C)C)C 271570a_100102527731_100000221369 [0,0,0,0,0,2|2,0,0]=4 1697 B15R1.12846 CNc1ccc(cc1C=CC(C)(C)C)F 271570a_100102527731_100011246292 [0,0,0,0,0,2|2,0,0]=4 1698 B15R1.12846 CNc1ccc(cc1SCC(C)(C)C)C 62a_100000221369_100011219605 [0,0,0,0,0,2|2,0,0]=4 1699 B15R1.12846 CNc1ccc(cc1SCC(C)(C)C)C 62a_100011219605_100000221369 [0,0,0,0,0,2|2,0,0]=4 1700 B15R1.12846 CNc1ccc(cc1SCC(C)(C)C)F 62a_100011219605_100011246292 [0,0,0,0,0,2|2,0,0]=4 1701 B15R1.12846 CNc1ccc(cc1SCC(C)(C)C)F 62a_100011246292_100011219605 [0,0,0,0,0,2|2,0,0]=4 1702 B15R1.12846 COc1c[nH]c(=O)cc1C=CC(C)(C)C 271570a_100102527731_100121573661 [0,0,0,0,0,2|1,0,1]=4 1703 B15R1.12846 COc1c[nH]c(=O)cc1SCC(C)(C)C 62a_100011219605_100121573661 [0,0,0,0,0,2|1,0,1]=4 1704 B15R1.12846 COc1c[nH]c(=O)cc1SCC(C)(C)C 62a_100121573661_100011219605 [0,0,0,0,0,2|1,0,1]=4 1705 B15R1.12846 COc1ccc(cc1C#C[Si](C)(C)C)Br 271570a_100010171944_100012351588 [0,0,0,0,0,2|1,1,0]=4 1706 B15R1.12846 COc1ccc(cc1C#C[Si](C)(C)C)C 271570a_100010171944_100000186399 [0,0,0,0,0,2|1,1,0]=4 1707 B15R1.12846 COc1ccc(cc1C#C[Si](C)(C)C)Cl 271570a_100010171944_100011215930 [0,0,0,0,0,2|1,1,0]=4 1708 B15R1.12846 COc1ccc(cc1C#C[Si](C)(C)C)F 271570a_100010171944_100000171694 [0,0,0,0,0,2|1,1,0]=4 1709 B15R1.12846 COc1ccc(cc1C#C[Si](C)(C)C)N 271570a_100010171944_100000187427 [0,0,0,0,0,2|1,1,0]=4 1710 B15R1.12846 COc1ccc(cc1C#C[Si](C)(C)C)O 271570a_100010171944_100010084122 [0,0,0,0,0,2|0,1,0]=3 1711 B15R1.12846 COc1ccc(cc1C=CC(C)(C)C)Br 271570a_100102527731_100012351588 [0,0,0,0,0,2|1,0,0]=3 1712 B15R1.12846 COc1ccc(cc1C=CC(C)(C)C)C 271570a_100102527731_100000186399 [0,0,0,0,0,2|1,0,0]=3 1713 B15R1.12846 COc1ccc(cc1C=CC(C)(C)C)Cl 271570a_100102527731_100011215930 [0,0,0,0,0,2|1,0,0]=3 1714 B15R1.12846 COc1ccc(cc1C=CC(C)(C)C)F 271570a_100102527731_100000171694 [0,0,0,0,0,2|1,0,0]=3 1715 B15R1.12846 COc1ccc(cc1C=CC(C)(C)C)N 271570a_100102527731_100000187427 [0,0,0,0,0,2|1,0,0]=3 1716 B15R1.12846 COc1ccc(cc1C=CC(C)(C)C)O 271570a_100102527731_100010084122 [0,0,0,0,0,2|0,0,0]=2 1717 B15R1.12846 COc1ccc(cc1C=CC(C)(C)O)Br 271570a_200016258132_100012351588 [0,0,0,0,0,2|2,0,0]=4 1718 B15R1.12846 COc1ccc(cc1C=CC(C)(C)O)C 271570a_200016258132_100000186399 [0,0,0,0,0,2|2,0,0]=4 1719 B15R1.12846 COc1ccc(cc1C=CC(C)(C)O)Cl 271570a_200016258132_100011215930 [0,0,0,0,0,2|2,0,0]=4 1720 B15R1.12846 COc1ccc(cc1C=CC(C)(C)O)F 271570a_200016258132_100000171694 [0,0,0,0,0,2|2,0,0]=4 1721 B15R1.12846 COc1ccc(cc1C=CC(C)(C)O)N 271570a_200016258132_100000187427 [0,0,0,0,0,2|2,0,0]=4 1722 B15R1.12846 COc1ccc(cc1C=CC(C)(C)O)O 271570a_200016258132_100010084122 [0,0,0,0,0,2|1,0,0]=3 1723 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)Br 207a_100000715429_100000170026 [0,0,0,0,0,2|1,0,0]=3 1724 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)Br 2230a_100000715429_100000204665 [0,0,0,0,0,2|1,0,0]=3 1725 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)Br 34a_100000690498_100000210625 [0,0,0,0,0,2|1,0,0]=3 1726 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)C 207a_100000715429_100000203738 [0,0,0,0,0,2|1,0,0]=3 1727 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)C 2230a_100000715429_100000199068 [0,0,0,0,0,2|1,0,0]=3 1728 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)Cl 207a_100000715429_100000188328 [0,0,0,0,0,2|1,0,0]=3 1729 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)Cl 2230a_100000715429_100000209806 [0,0,0,0,0,2|1,0,0]=3 1730 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)Cl 34a_100000740580_100000210625 [0,0,0,0,0,2|1,0,0]=3 1731 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)F 207a_100000715429_100000722865 [0,0,0,0,0,2|1,0,0]=3 1732 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)F 2230a_100000715429_100011830354 [0,0,0,0,0,2|1,0,0]=3 1733 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)F 34a_100011199032_100000210625 [0,0,0,0,0,2|1,0,0]=3 1734 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)I 207a_100000715429_100011266407 [0,0,0,0,0,2|1,0,0]=3 1735 B15R1.12846 COc1ccc(cc1CNC(C)(C)C)O 207a_100000715429_100000067581 [0,0,0,0,0,2|0,0,0]=2 1736 B15R1.12846 COc1ccc(cc1COC(C)(C)C)Br 34a_100000204679_100000210625 [0,0,0,0,0,2|1,0,0]=3 1737 B15R1.12846 COc1ccc(cc1COC(C)(C)C)Br 34a_100015890283_100000204665 [0,0,0,0,0,2|1,0,0]=3 1738 B15R1.12846 COc1ccc(cc1COC(C)(C)C)Br 7a_100015890283_100000204665 [0,0,0,0,0,2|1,0,0]=3 1739 B15R1.12846 COc1ccc(cc1COC(C)(C)C)C 34a_100015890283_100000199068 [0,0,0,0,0,2|1,0,0]=3 1740 B15R1.12846 COc1ccc(cc1COC(C)(C)C)C 34a_200000246444_100000210625 [0,0,0,0,0,2|1,0,0]=3 1741 B15R1.12846 COc1ccc(cc1COC(C)(C)C)C 7a_100015890283_100000199068 [0,0,0,0,0,2|1,0,0]=3 1742 B15R1.12846 COc1ccc(cc1COC(C)(C)C)Cl 34a_100015890283_100000209806 [0,0,0,0,0,2|1,0,0]=3 1743 B15R1.12846 COc1ccc(cc1COC(C)(C)C)Cl 7a_100015890283_100000209806 [0,0,0,0,0,2|1,0,0]=3 1744 B15R1.12846 COc1ccc(cc1COC(C)(C)C)F 34a_100011266440_100000210625 [0,0,0,0,0,2|1,0,0]=3 1745 B15R1.12846 COc1ccc(cc1COC(C)(C)C)F 34a_100015890283_100011830354 [0,0,0,0,0,2|1,0,0]=3 1746 B15R1.12846 COc1ccc(cc1COC(C)(C)C)F 7a_100015890283_100011830354 [0,0,0,0,0,2|1,0,0]=3 1747 B15R1.12846 COc1ccc(cc1COC(C)(C)C)I 34a_200137411115_100000210625 [0,0,0,0,0,2|1,0,0]=3 1748 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)Br 62a_100000204665_100000211941 [0,0,0,0,0,2|1,0,0]=3 1749 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)Br 62a_100000211941_100000204665 [0,0,0,0,0,2|1,0,0]=3 1750 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)C 62a_100000199068_100000211941 [0,0,0,0,0,2|1,0,0]=3 1751 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)C 62a_100000211941_100000199068 [0,0,0,0,0,2|1,0,0]=3 1752 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)Cl 62a_100000209806_100000211941 [0,0,0,0,0,2|1,0,0]=3 1753 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)Cl 62a_100000211941_100000209806 [0,0,0,0,0,2|1,0,0]=3 1754 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)F 62a_100000211941_100011830354 [0,0,0,0,0,2|1,0,0]=3 1755 B15R1.12846 COc1ccc(cc1CSC(C)(C)C)F 62a_100011830354_100000211941 [0,0,0,0,0,2|1,0,0]=3 1756 B15R1.12846 COc1ccc(cc1NCC(C)(C)C)Br 34a_100000743470_100011219605 [0,0,0,0,0,2|1,0,0]=3 1757 B15R1.12846 COc1ccc(cc1NCC(C)(C)C)C 34a_100000210980_100011219605 [0,0,0,0,0,2|1,0,0]=3 1758 B15R1.12846 COc1ccc(cc1NCC(C)(C)C)Cl 34a_100000182114_100011219605 [0,0,0,0,0,2|1,0,0]=3 1759 B15R1.12846 COc1ccc(cc1NCC(C)(C)C)F 34a_100000757179_100011219605 [0,0,0,0,0,2|1,0,0]=3 1760 B15R1.12846 COc1ccc(cc1NCC(C)(C)F)Br 34a_100000743470_100011997219 [0,0,0,0,0,2|2,0,0]=4 1761 B15R1.12846 COc1ccc(cc1NCC(C)(C)F)C 34a_100000210980_100011997219 [0,0,0,0,0,2|2,0,0]=4 1762 B15R1.12846 COc1ccc(cc1NCC(C)(C)F)Cl 34a_100000182114_100011997219 [0,0,0,0,0,2|2,0,0]=4 1763 B15R1.12846 COc1ccc(cc1NCC(C)(C)F)F 34a_100000757179_100011997219 [0,0,0,0,0,2|2,0,0]=4 1764 B15R1.12846 COc1ccc(cc1NCC(C)(C)O)Br 34a_100000743470_100000764493 [0,0,0,0,0,2|2,0,0]=4 1765 B15R1.12846 COc1ccc(cc1NCC(C)(C)O)C 34a_100000210980_100000764493 [0,0,0,0,0,2|2,0,0]=4 1766 B15R1.12846 COc1ccc(cc1NCC(C)(C)O)Cl 34a_100000182114_100000764493 [0,0,0,0,0,2|2,0,0]=4 1767 B15R1.12846 COc1ccc(cc1NCC(C)(C)O)F 34a_100000757179_100000764493 [0,0,0,0,0,2|2,0,0]=4 1768 B15R1.12846 COc1ccc(cc1NC[Si](C)(C)C)C 2230a_100000210980_100000037933 [0,0,0,0,0,2|1,1,0]=4 1769 B15R1.12846 COc1ccc(cc1OCC(C)(C)C)Br 34a_100009816560_100011219605 [0,0,0,0,0,2|1,0,0]=3 1770 B15R1.12846 COc1ccc(cc1OCC(C)(C)C)C 34a_100011216497_100011219605 [0,0,0,0,0,2|1,0,0]=3 1771 B15R1.12846 COc1ccc(cc1OCC(C)(C)C)Cl 34a_100000101779_100011219605 [0,0,0,0,0,2|1,0,0]=3 1772 B15R1.12846 COc1ccc(cc1OCC(C)(C)C)F 34a_100000034962_100011219605 [0,0,0,0,0,2|1,0,0]=3 1773 B15R1.12846 COc1ccc(cc1OCC(C)(C)C)N 34a_100000211920_100011219605 [0,0,0,0,0,2|1,0,0]=3 1774 B15R1.12846 COc1ccc(cc1OCC(C)(C)F)Br 34a_100009816560_100011997219 [0,0,0,0,0,2|2,0,0]=4 1775 B15R1.12846 COc1ccc(cc1OCC(C)(C)F)C 34a_100011216497_100011997219 [0,0,0,0,0,2|2,0,0]=4 1776 B15R1.12846 COc1ccc(cc1OCC(C)(C)F)Cl 34a_100000101779_100011997219 [0,0,0,0,0,2|2,0,0]=4 1777 B15R1.12846 COc1ccc(cc1OCC(C)(C)F)F 34a_100000034962_100011997219 [0,0,0,0,0,2|2,0,0]=4 1778 B15R1.12846 COc1ccc(cc1OCC(C)(C)F)N 34a_100000211920_100011997219 [0,0,0,0,0,2|2,0,0]=4 1779 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)Br 34a_100009816560_100000764493 [0,0,0,0,0,2|2,0,0]=4 1780 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)Br 7a_100009816560_100000764493 [0,0,0,0,0,2|2,0,0]=4 1781 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)C 34a_100011216497_100000764493 [0,0,0,0,0,2|2,0,0]=4 1782 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)C 7a_100011216497_100000764493 [0,0,0,0,0,2|2,0,0]=4 1783 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)Cl 34a_100000101779_100000764493 [0,0,0,0,0,2|2,0,0]=4 1784 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)Cl 7a_100000101779_100000764493 [0,0,0,0,0,2|2,0,0]=4 1785 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)F 34a_100000034962_100000764493 [0,0,0,0,0,2|2,0,0]=4 1786 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)F 7a_100000034962_100000764493 [0,0,0,0,0,2|2,0,0]=4 1787 B15R1.12846 COc1ccc(cc1OCC(C)(C)O)N 34a_100000211920_100000764493 [0,0,0,0,0,2|2,0,0]=4 1788 B15R1.12846 COc1ccc(cc1OC[Si](C)(C)C)Br 7a_100009816560_100000233785 [0,0,0,0,0,2|1,1,0]=4 1789 B15R1.12846 COc1ccc(cc1OC[Si](C)(C)C)C 7a_100011216497_100000233785 [0,0,0,0,0,2|1,1,0]=4 1790 B15R1.12846 COc1ccc(cc1OC[Si](C)(C)C)Cl 7a_100000101779_100000233785 [0,0,0,0,0,2|1,1,0]=4 1791 B15R1.12846 COc1ccc(cc1OC[Si](C)(C)C)F 7a_100000034962_100000233785 [0,0,0,0,0,2|1,1,0]=4 1792 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)Br 62a_100011219605_100012351588 [0,0,0,0,0,2|1,0,0]=3 1793 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)Br 62a_100012351588_100011219605 [0,0,0,0,0,2|1,0,0]=3 1794 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)C 62a_100000186399_100011219605 [0,0,0,0,0,2|1,0,0]=3 1795 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)C 62a_100011219605_100000186399 [0,0,0,0,0,2|1,0,0]=3 1796 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)Cl 62a_100011215930_100011219605 [0,0,0,0,0,2|1,0,0]=3 1797 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)Cl 62a_100011219605_100011215930 [0,0,0,0,0,2|1,0,0]=3 1798 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)F 62a_100000171694_100011219605 [0,0,0,0,0,2|1,0,0]=3 1799 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)F 62a_100011219605_100000171694 [0,0,0,0,0,2|1,0,0]=3 1800 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)N 62a_100011219605_100011356947 [0,0,0,0,0,2|1,0,0]=3 1801 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)N 62a_100011356947_100011219605 [0,0,0,0,0,2|1,0,0]=3 1802 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)O 62a_100010234764_100011219605 [0,0,0,0,0,2|0,0,0]=2 1803 B15R1.12846 COc1ccc(cc1SCC(C)(C)C)O 62a_100011219605_100010234764 [0,0,0,0,0,2|0,0,0]=2 1804 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)Br 62a_100011997219_100012351588 [0,0,0,0,0,2|2,0,0]=4 1805 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)Br 62a_100012351588_100011997219 [0,0,0,0,0,2|2,0,0]=4 1806 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)C 62a_100000186399_100011997219 [0,0,0,0,0,2|2,0,0]=4 1807 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)C 62a_100011997219_100000186399 [0,0,0,0,0,2|2,0,0]=4 1808 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)Cl 62a_100011215930_100011997219 [0,0,0,0,0,2|2,0,0]=4 1809 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)Cl 62a_100011997219_100011215930 [0,0,0,0,0,2|2,0,0]=4 1810 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)F 62a_100000171694_100011997219 [0,0,0,0,0,2|2,0,0]=4 1811 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)F 62a_100011997219_100000171694 [0,0,0,0,0,2|2,0,0]=4 1812 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)N 62a_100011356947_100011997219 [0,0,0,0,0,2|2,0,0]=4 1813 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)N 62a_100011997219_100011356947 [0,0,0,0,0,2|2,0,0]=4 1814 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)O 62a_100010234764_100011997219 [0,0,0,0,0,2|1,0,0]=3 1815 B15R1.12846 COc1ccc(cc1SCC(C)(C)F)O 62a_100011997219_100010234764 [0,0,0,0,0,2|1,0,0]=3 1816 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)Br 62a_100000764493_100012351588 [0,0,0,0,0,2|2,0,0]=4 1817 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)Br 62a_100012351588_100000764493 [0,0,0,0,0,2|2,0,0]=4 1818 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)C 62a_100000186399_100000764493 [0,0,0,0,0,2|2,0,0]=4 1819 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)C 62a_100000764493_100000186399 [0,0,0,0,0,2|2,0,0]=4 1820 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)Cl 62a_100000764493_100011215930 [0,0,0,0,0,2|2,0,0]=4 1821 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)Cl 62a_100011215930_100000764493 [0,0,0,0,0,2|2,0,0]=4 1822 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)F 62a_100000171694_100000764493 [0,0,0,0,0,2|2,0,0]=4 1823 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)F 62a_100000764493_100000171694 [0,0,0,0,0,2|2,0,0]=4 1824 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)N 62a_100000764493_100011356947 [0,0,0,0,0,2|2,0,0]=4 1825 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)N 62a_100011356947_100000764493 [0,0,0,0,0,2|2,0,0]=4 1826 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)O 62a_100000764493_100010234764 [0,0,0,0,0,2|1,0,0]=3 1827 B15R1.12846 COc1ccc(cc1SCC(C)(C)O)O 62a_100010234764_100000764493 [0,0,0,0,0,2|1,0,0]=3 1828 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)Br 62a_100012351588_200000036245 [0,0,0,0,0,2|2,0,0]=4 1829 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)Br 62a_200000036245_100012351588 [0,0,0,0,0,2|2,0,0]=4 1830 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)C 62a_100000186399_200000036245 [0,0,0,0,0,2|2,0,0]=4 1831 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)C 62a_200000036245_100000186399 [0,0,0,0,0,2|2,0,0]=4 1832 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)Cl 62a_100011215930_200000036245 [0,0,0,0,0,2|2,0,0]=4 1833 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)Cl 62a_200000036245_100011215930 [0,0,0,0,0,2|2,0,0]=4 1834 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)F 62a_100000171694_200000036245 [0,0,0,0,0,2|2,0,0]=4 1835 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)F 62a_200000036245_100000171694 [0,0,0,0,0,2|2,0,0]=4 1836 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)N 62a_100011356947_200000036245 [0,0,0,0,0,2|2,0,0]=4 1837 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)N 62a_200000036245_100011356947 [0,0,0,0,0,2|2,0,0]=4 1838 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)O 62a_100010234764_200000036245 [0,0,0,0,0,2|1,0,0]=3 1839 B15R1.12846 COc1ccc(cc1SC[N+](C)(C)C)O 62a_200000036245_100010234764 [0,0,0,0,0,2|1,0,0]=3 1840 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)Br 62a_100000037933_100012351588 [0,0,0,0,0,2|1,1,0]=4 1841 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)Br 62a_100012351588_100000037933 [0,0,0,0,0,2|1,1,0]=4 1842 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)C 62a_100000037933_100000186399 [0,0,0,0,0,2|1,1,0]=4 1843 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)C 62a_100000186399_100000037933 [0,0,0,0,0,2|1,1,0]=4 1844 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)Cl 62a_100000037933_100011215930 [0,0,0,0,0,2|1,1,0]=4 1845 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)Cl 62a_100011215930_100000037933 [0,0,0,0,0,2|1,1,0]=4 1846 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)F 62a_100000037933_100000171694 [0,0,0,0,0,2|1,1,0]=4 1847 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)F 62a_100000171694_100000037933 [0,0,0,0,0,2|1,1,0]=4 1848 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)N 62a_100000037933_100011356947 [0,0,0,0,0,2|1,1,0]=4 1849 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)N 62a_100011356947_100000037933 [0,0,0,0,0,2|1,1,0]=4 1850 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)O 62a_100000037933_100010234764 [0,0,0,0,0,2|0,1,0]=3 1851 B15R1.12846 COc1ccc(cc1SC[Si](C)(C)C)O 62a_100010234764_100000037933 [0,0,0,0,0,2|0,1,0]=3 1852 B15R1.12846 COc1ccc(nc1C=CC(C)(C)C)C 271570a_100102527731_100009820875 [0,0,0,0,0,2|2,0,0]=4 1853 B15R1.12846 COc1ccc(nc1C=CC(C)(C)C)N 271570a_100102527731_100010172607 [0,0,0,0,0,2|2,0,0]=4 1854 B15R1.12846 COc1ccc(nc1SCC(C)(C)C)C 62a_100009820875_100011219605 [0,0,0,0,0,2|2,0,0]=4 1855 B15R1.12846 COc1ccc(nc1SCC(C)(C)C)C 62a_100011219605_100009820875 [0,0,0,0,0,2|2,0,0]=4 1856 B15R1.12846 COc1ccc(nc1SCC(C)(C)C)N 62a_100010172607_100011219605 [0,0,0,0,0,2|2,0,0]=4 1857 B15R1.12846 COc1ccc(nc1SCC(C)(C)C)N 62a_100011219605_100010172607 [0,0,0,0,0,2|2,0,0]=4 1858 B15R1.12846 COc1cnc(cc1C=CC(C)(C)C)C 271570a_100102527731_100010109759 [0,0,0,0,0,2|2,0,0]=4 1859 B15R1.12846 COc1cnc(cc1OCC(C)(C)C)Br 34a_100010264082_100011219605 [0,0,0,0,0,2|2,0,0]=4 1860 B15R1.12846 COc1cnc(cc1OCC(C)(C)C)Cl 34a_100009849459_100011219605 [0,0,0,0,0,2|2,0,0]=4 1861 B15R1.12846 COc1cnc(cc1SCC(C)(C)C)C 62a_100010109759_100011219605 [0,0,0,0,0,2|2,0,0]=4 1862 B15R1.12846 COc1cnc(cc1SCC(C)(C)C)C 62a_100011219605_100010109759 [0,0,0,0,0,2|2,0,0]=4 1863 B15R1.12846 COc1ncc(cc1C=CC(C)(C)C)Br 271570a_100102527731_100009814608 [0,0,0,0,0,2|2,0,0]=4 1864 B15R1.12846 COc1ncc(cc1C=CC(C)(C)C)C 271570a_100102527731_100012353929 [0,0,0,0,0,2|2,0,0]=4 1865 B15R1.12846 COc1ncc(cc1C=CC(C)(C)C)F 271570a_100102527731_100009828472 [0,0,0,0,0,2|2,0,0]=4 1866 B15R1.12846 COc1ncc(cc1C=CC(C)(C)C)N 271570a_100102527731_100012351452 [0,0,0,0,0,2|2,0,0]=4 1867 B15R1.12846 COc1ncc(cc1CNC(C)(C)C)Br 207a_100000715429_100009814609 [0,0,0,0,0,2|2,0,0]=4 1868 B15R1.12846 COc1ncc(cc1CNC(C)(C)C)Br 2230a_100000715429_100010065838 [0,0,0,0,0,2|2,0,0]=4 1869 B15R1.12846 COc1ncc(cc1CNC(C)(C)C)C 207a_100000715429_100000118322 [0,0,0,0,0,2|2,0,0]=4 1870 B15R1.12846 COc1ncc(cc1CNC(C)(C)C)F 207a_100000715429_100000081817 [0,0,0,0,0,2|2,0,0]=4 1871 B15R1.12846 COc1ncc(cc1COC(C)(C)C)Br 34a_100000695684_100000210625 [0,0,0,0,0,2|2,0,0]=4 1872 B15R1.12846 COc1ncc(cc1COC(C)(C)C)Br 34a_100015890283_100010065838 [0,0,0,0,0,2|2,0,0]=4 1873 B15R1.12846 COc1ncc(cc1COC(C)(C)C)Br 7a_100015890283_100010065838 [0,0,0,0,0,2|2,0,0]=4 1874 B15R1.12846 COc1ncc(cc1COC(C)(C)C)F 34a_100011997213_100000210625 [0,0,0,0,0,2|2,0,0]=4 1875 B15R1.12846 COc1ncc(cc1CSC(C)(C)C)Br 62a_100000211941_100010065838 [0,0,0,0,0,2|2,0,0]=4 1876 B15R1.12846 COc1ncc(cc1CSC(C)(C)C)Br 62a_100010065838_100000211941 [0,0,0,0,0,2|2,0,0]=4 1877 B15R1.12846 COc1ncc(cc1OCC(C)(C)C)Br 34a_100010135713_100011219605 [0,0,0,0,0,2|2,0,0]=4 1878 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)Br 62a_100009814608_100011219605 [0,0,0,0,0,2|2,0,0]=4 1879 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)Br 62a_100011219605_100009814608 [0,0,0,0,0,2|2,0,0]=4 1880 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)C 62a_100011219605_100012353929 [0,0,0,0,0,2|2,0,0]=4 1881 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)C 62a_100012353929_100011219605 [0,0,0,0,0,2|2,0,0]=4 1882 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)F 62a_100009828472_100011219605 [0,0,0,0,0,2|2,0,0]=4 1883 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)F 62a_100011219605_100009828472 [0,0,0,0,0,2|2,0,0]=4 1884 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)N 62a_100011219605_100012351452 [0,0,0,0,0,2|2,0,0]=4 1885 B15R1.12846 COc1ncc(cc1SCC(C)(C)C)N 62a_100012351452_100011219605 [0,0,0,0,0,2|2,0,0]=4 1886 B15R1.12846 CSc1ccc(cc1C=CC(C)(C)C)C 271570a_100102527731_200010201864 [0,0,0,0,0,2|1,1,0]=4 1887 B15R1.12846 CSc1ccc(cc1C=CC(C)(C)C)F 271570a_100102527731_100009817003 [0,0,0,0,0,2|1,1,0]=4 1888 B15R1.12846 CSc1ccc(cc1NCC(C)(C)C)Cl 34a_100000745667_100011219605 [0,0,0,0,0,2|1,1,0]=4 1889 B15R1.12846 CSc1ccc(cc1SCC(C)(C)C)C 62a_100011219605_200010201864 [0,0,0,0,0,2|1,1,0]=4 1890 B15R1.12846 CSc1ccc(cc1SCC(C)(C)C)C 62a_200010201864_100011219605 [0,0,0,0,0,2|1,1,0]=4 1891 B15R1.12846 CSc1ccc(cc1SCC(C)(C)C)F 62a_100009817003_100011219605 [0,0,0,0,0,2|1,1,0]=4 1892 B15R1.12846 CSc1ccc(cc1SCC(C)(C)C)F 62a_100011219605_100009817003 [0,0,0,0,0,2|1,1,0]=4