0 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,0,0,0,0|0,0,2]=2 11 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,0,0,0,0,0|2,0,2]=4 26 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,0,0,0|1,0,1]=2 40 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,0,0,0|1,0,1]=2 41 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,0,0,0|1,0,2]=3 42 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,0,0,0,0,0|0,0,0]=0 48 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,0,0,0,0,0|1,0,0]=1 65 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,0,0,0,0,0|1,0,0]=1 66 B10R1.61 CN(C)c1ccn[nH]c1=O 27a_100102631434_100000087129 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.61 CN(C)c1ccncc1Br 27a_100102631434_100000726257 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.61 CN(C)c1ccncc1F 27a_100102631434_100000035921 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.61 CN(C)c1ncncc1F 27a_100102631434_100000069762 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.61 CN(C)c1ncncc1N 27a_100102631434_100000709731 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,0,0,0,0,0|1,0,0]=1 87 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,0,0,0|2,0,1]=3 90 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,0,0,0,0,0|2,0,0]=2 94 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,0,0,0,0,0|2,0,0]=2 95 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.61 Cc1cnccc1N(C)C 27a_100102631434_100000765111 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,0,0,0,0,0|3,0,1]=4 103 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,0,0,0,0,0|3,0,1]=4 104 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.61 OB(O)c1cccnc1O 271570a_203496583355_100009815992 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.61 OB(O)c1ccncc1O 271570a_203496583355_200010176179 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.61 Oc1cccnc1C(F)F 271570a_203496583355_100010079810 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.61 Oc1ncccc1C(F)F 271570a_203496583355_100010136063 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,0,0,0|2,0,1]=3 113 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,0,0,0|2,0,1]=3 114 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,0,0,0|2,0,1]=3 115 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,0,0,0|1,0,1]=2 116 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,0,0,0|1,0,2]=3 117 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|0,0,2]=3 118 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [1,0,0,0,0,0|1,0,2]=4 119 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|1,0,2]=4 120 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [1,0,0,0,0,0|1,0,2]=4 121 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,0,0|1,0,0]=2 124 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,0,0|1,0,0]=2 125 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,0,0|1,0,0]=2 130 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,0,0,0,0,0|1,0,2]=4 135 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,0,0,0,0,0|0,0,2]=3 139 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,0,0,0,0,0|1,0,2]=4 140 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,0,0,0,0,0|1,0,2]=4 141 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,0,0,0,0,0|0,0,0]=1 142 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,0,0,0,0,0|1,0,0]=2 154 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,0,0,0,0,0|1,0,0]=2 178 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [1,0,0,0,0,0|2,1,0]=4 215 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [1,0,0,0,0,0|2,1,0]=4 216 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,0,0,0,0,0|2,0,0]=3 224 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,0,0,0,0,0|1,0,0]=2 229 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.15 CSc1cncnc1O 62a_100000751107_200000210301 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.15 CSc1cncnc1O 62a_200000210301_100000751107 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,0,0,0,0,0|1,0,1]=3 300 B9R1.15 N#Cc1cccnc1O 271570a_203496583355_100000211984 [1,0,0,0,0,0|2,0,1]=4 301 B9R1.15 N#Cc1ccncc1O 271570a_203496583355_100000684818 [1,0,0,0,0,0|2,0,1]=4 302 B9R1.15 N#Cc1cnccc1O 271570a_203496583355_100000687039 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.15 N#Cc1ncccc1O 271570a_203496583355_100000685805 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,0,0,0,0,0|1,0,0]=2 305 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [1,0,0,0,0,0|2,0,0]=3 308 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [1,0,0,0,0,0|3,0,0]=4 311 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,0,0,0,0,0|1,0,1]=3 313 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,0,0,0,0,0|2,0,1]=4 314 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,0,0,0,0,0|2,0,1]=4 315 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,0,0,0,0,0|2,0,1]=4 316 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,0,0,0,0,0|2,0,1]=4 317 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,0,0,0,0,0|1,0,0]=2 318 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,0,0,0,0,0|1,0,0]=2 328 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,0,0,0,0,0|2,0,0]=3 330 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,0,0,0,0,0|2,0,0]=3 331 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,0,0,0,0,0|2,0,0]=3 332 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,0,0,0,0,0|3,0,0]=4 347 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,0,0,0,0,0|2,0,1]=4 351 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [1,0,0,0,0,0|2,0,1]=4 358 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,0,0,0,0,0|3,0,0]=4 359 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [1,0,0,0,0,0|2,0,1]=4 362 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [1,0,0,0,0,0|2,0,1]=4 363 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [1,0,0,0,0,0|2,1,0]=4 364 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [1,0,0,0,0,0|2,1,0]=4 365 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [1,0,0,0,0,0|2,0,1]=4 366 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,0,0,0,0,0|2,0,0]=3 367 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,0,0,0,0,0|2,0,0]=3 368 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,0,0,0,0,0|2,0,0]=3 369 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,0,0,0,0,0|2,0,0]=3 371 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,0,0,0,0,0|2,0,0]=3 372 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,0,0,0,0,0|2,0,0]=3 373 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,0,0,0,0,0|2,0,0]=3 374 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,0,0,0,0,0|1,0,0]=2 375 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,0,0,0,0,0|1,0,0]=2 376 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,0,0,0,0,0|3,0,0]=4 383 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,0,0,0|2,0,0]=3 386 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [1,0,0,0,0,0|3,0,0]=4 392 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [1,0,0,0,0,0|2,0,0]=3 395 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [1,0,0,0,0,0|2,0,0]=3 396 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [1,0,0,0,0,0|3,0,0]=4 398 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.15 [13CH3]Sc1cncnc1O 62a_100000751107_200025704644 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.15 [13CH3]Sc1cncnc1O 62a_200025704644_100000751107 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,0,0,0,0,0|3,0,0]=4 413 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,0,0,0,0,0|3,0,0]=4 414 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,0,0,0,0,0|2,0,0]=3 416 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,1,0,0,0,0|1,0,2]=4 419 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,1,0,0,0,0|0,0,3]=4 420 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,0|1,0,2]=4 421 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,0,0|1,0,2]=4 422 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,0,0|0,0,2]=3 423 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,0,0|1,0,2]=4 425 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,1,0,0,0,0|1,0,2]=4 426 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,0,0|1,0,2]=4 427 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,0,0|0,0,2]=3 428 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,0|0,1,2]=4 429 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,1,0,0,0,0|1,0,2]=4 430 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,0|1,0,2]=4 431 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,1,0,0,0,0|1,0,2]=4 432 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,1,0,0,0,0|1,0,2]=4 433 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,1,0,0,0,0|1,0,2]=4 434 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,1,0,0,0,0|1,0,2]=4 435 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,1,0,0,0,0|1,0,2]=4 436 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,0|1,0,2]=4 437 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [0,1,0,0,0,0|1,0,0]=2 441 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.53 C=Cc1ccccc1C(F)F 271570a_100011290941_100010169824 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.53 C=Cc1cnccc1N(C)C 271570a_100011290941_100012355995 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.53 C=Cc1cncnc1C(C)C 271570a_100011290941_100009816988 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,0,0|1,0,2]=4 456 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,0|1,1,1]=4 457 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,1,0,0,0,0|1,0,0]=2 463 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,0,0|0,0,0]=1 464 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,0,0|0,0,0]=1 465 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,1,0,0,0,0|0,1,0]=2 466 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,1,0,0,0,0|0,1,0]=2 467 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,1,0,0,0,0|1,1,0]=3 468 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,1,0,0,0,0|1,1,0]=3 469 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [0,1,0,0,0,0|2,1,0]=4 472 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [0,1,0,0,0,0|2,1,0]=4 473 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [0,1,0,0,0,0|1,1,0]=3 474 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [0,1,0,0,0,0|1,1,0]=3 475 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,1,0,0,0,0|2,1,0]=4 476 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,1,0,0,0,0|2,1,0]=4 477 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,1,0,0,0,0|1,1,0]=3 481 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,1,0,0,0,0|1,1,0]=3 482 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,1,0,0,0,0|2,1,0]=4 483 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,1,0,0,0,0|2,1,0]=4 484 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,0|2,0,1]=4 485 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.53 CN(C)c1ccccc1C#N 2230a_100000744078_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.53 CN(C)c1ccccc1C#N 269982a_100000744078_200000210301 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [0,1,0,0,0,0|1,1,0]=3 489 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [0,1,0,0,0,0|1,1,0]=3 490 B11R1.53 CN(C)c1ccncc1C#N 27a_100102631434_100000687039 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.53 CN(C)c1ccncc1CO 27a_100102631434_100000117392 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_100012355995_200025704644 [0,1,0,0,0,0|2,1,0]=4 493 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_200025704644_100012355995 [0,1,0,0,0,0|2,1,0]=4 494 B11R1.53 CN(C)c1cnccc1C#N 27a_100102631434_100000684818 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.53 CN(C)c1ncccc1C#N 27a_100102631434_100000211984 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,1,0,0,0,0|2,1,0]=4 497 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,1,0,0,0,0|2,1,0]=4 498 B11R1.53 CN([13CH3])c1ccccc1C#N 2230a_100000744078_200025704644 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.53 CN([13CH3])c1ccccc1C#N 269982a_100000744078_200025704644 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.53 CNc1ccccc1C(F)F 2230a_100000734540_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.53 CNc1ccccc1C(F)F 34a_100000734540_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.53 CNc1ccccc1C(F)F 7a_100000734540_200000210301 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,0,0|1,0,1]=3 509 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,0,0|2,0,1]=4 511 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,0,0|1,0,1]=3 512 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,0,0|0,0,0]=1 515 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,0,0|0,0,0]=1 516 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,1,0,0,0,0|1,0,0]=2 522 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,1,0,0,0,0|1,0,0]=2 523 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,1,0,0,0,0|1,0,0]=2 525 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,0,0,0,0|1,0,0]=2 531 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.53 COc1cnccc1C(F)F 34a_100010834524_200000210301 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.53 COc1cnccc1C(F)F 7a_100010834524_200000210301 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.53 COc1cncnc1N(C)C 27a_100102631434_100012001275 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,0|2,1,0]=4 537 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,0|1,1,1]=4 538 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,0|1,1,1]=4 539 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,0|1,1,1]=4 540 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,1,0,0,0,0|0,1,0]=2 541 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,1,0,0,0,0|0,1,0]=2 542 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [0,1,0,0,0,0|1,1,0]=3 543 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [0,1,0,0,0,0|1,1,0]=3 544 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,1,0,0,0,0|1,1,0]=3 545 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,1,0,0,0,0|1,1,0]=3 546 B11R1.53 CSc1ccccc1C(F)F 62a_100010169824_200000210301 [0,1,0,0,0,0|2,1,0]=4 547 B11R1.53 CSc1ccccc1C(F)F 62a_200000210301_100010169824 [0,1,0,0,0,0|2,1,0]=4 548 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [0,1,0,0,0,0|1,1,0]=3 549 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [0,1,0,0,0,0|1,1,0]=3 550 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,0|2,1,0]=4 551 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,1,0,0,0,0|2,1,0]=4 552 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,1,0,0,0,0|2,1,0]=4 553 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,1,0,0,0,0|2,1,0]=4 554 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,1,0,0,0,0|2,1,0]=4 555 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,1,0,0,0,0|2,1,0]=4 556 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,1,0,0,0,0|2,1,0]=4 557 B11R1.53 CSc1cnccc1N(C)C 62a_100012355995_200000210301 [0,1,0,0,0,0|2,1,0]=4 558 B11R1.53 CSc1cnccc1N(C)C 62a_200000210301_100012355995 [0,1,0,0,0,0|2,1,0]=4 559 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [0,1,0,0,0,0|2,1,0]=4 560 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [0,1,0,0,0,0|2,1,0]=4 561 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,1,0,0,0,0|1,1,0]=3 562 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,1,0,0,0,0|1,1,0]=3 563 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,1,0,0,0,0|2,1,0]=4 564 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,1,0,0,0,0|2,1,0]=4 565 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,1,0,0,0,0|2,1,0]=4 567 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,1,0,0,0,0|2,1,0]=4 568 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,0,0|1,0,1]=3 570 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,0,0|1,0,2]=4 571 B11R1.53 [13CH3]Nc1ccccc1C(F)F 2230a_100000734540_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.53 [13CH3]Nc1ccccc1C(F)F 34a_100000734540_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.53 [13CH3]Nc1ccccc1C(F)F 7a_100000734540_200025704644 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.53 [13CH3]Oc1cnccc1C(F)F 34a_100010834524_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.53 [13CH3]Oc1cnccc1C(F)F 7a_100010834524_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_100010169824_200025704644 [0,1,0,0,0,0|2,1,0]=4 583 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_200025704644_100010169824 [0,1,0,0,0,0|2,1,0]=4 584 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [0,1,0,0,0,0|0,0,0]=1 585 B11R1.87 CC(C)(C)c1ncncc1O 271570a_203496583355_200010089871 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [0,1,0,0,0,0|0,0,0]=1 587 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [0,1,0,0,0,0|0,0,0]=1 588 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [0,1,0,0,0,0|1,0,0]=2 589 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.87 CC(F)(F)c1ccccc1O 271570a_203496583355_100010220483 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,1,0,0,0,0|2,0,0]=3 592 B11R1.87 CS(=O)(=O)c1ccncc1O 271570a_203496583355_200010191168 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.87 Oc1ccccc1C(F)(F)F 271570a_203496583355_100000750027 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.87 Oc1cccnc1C(F)(F)F 271570a_203496583355_100009816963 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.87 Oc1ccncc1C(F)(F)F 271570a_203496583355_100020610829 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.87 Oc1cnccc1C(F)(F)F 271570a_203496583355_100010187525 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.87 Oc1ncccc1C(F)(F)F 271570a_203496583355_100000212047 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [0,1,0,0,0,0|1,0,2]=4 601 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [0,1,0,0,0,0|1,0,2]=4 602 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [0,1,0,0,0,0|1,0,2]=4 603 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [0,1,0,0,0,0|1,0,2]=4 604 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [0,1,0,0,0,0|0,0,2]=3 605 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,1,0,0,0,0|1,0,2]=4 606 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,1,0,0,0,0|1,0,2]=4 607 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [0,1,0,0,0,0|1,0,2]=4 608 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [0,1,0,0,0,0|1,0,2]=4 609 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [0,1,0,0,0,0|1,0,2]=4 610 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [0,1,0,0,0,0|0,0,2]=3 611 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,1,0,0,0,0|1,0,2]=4 612 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [0,1,0,0,0,0|1,0,2]=4 613 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [0,1,0,0,0,0|1,0,2]=4 614 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [0,1,0,0,0,0|0,0,2]=3 615 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,1,0,0,0,0|1,0,2]=4 616 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,1,0,0,0,0|0,0,2]=3 617 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [0,1,0,0,0,0|0,0,2]=3 618 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [0,1,0,0,0,0|0,0,2]=3 619 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,1,0,0,0,0|1,0,2]=4 620 B11R1.156 C=C(C)c1c(ccnc1O)O 271570a_100000694244_200009817435 [0,1,0,0,0,0|1,0,2]=4 621 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,1,0,0,0,0|1,0,1]=3 626 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,1,0,0,0,0|1,0,1]=3 631 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,1,0,0,0,0|1,0,1]=3 634 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,1,0,0,0,0|1,0,1]=3 635 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,1,0,0,0,0|1,0,1]=3 640 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,1,0,0,0,0|1,0,1]=3 641 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,1,0,0,0,0|1,0,1]=3 642 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.156 CC(C)c1c(ncnc1O)N 271570a_203496583355_200011913463 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.156 CN(C)c1c(cccc1Cl)Cl 269982a_100000691019_200000210301 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.156 CN(C)c1c(cccc1Cl)Cl 34a_100000691019_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.156 CN(C)c1c(cccc1F)F 2230a_100000743377_200000210301 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.156 CN(C)c1c(cccc1F)F 269982a_100000743377_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.156 CN(C)c1c(cccc1F)F 34a_100000743377_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.156 CN(C)c1c(cccc1F)F 38a_100000743377_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.156 CN(C)c1c(ccnc1F)F 27a_100102631434_100009874084 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.156 CN([13CH3])c1c(cccc1Cl)Cl 269982a_100000691019_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.156 CN([13CH3])c1c(cccc1Cl)Cl 34a_100000691019_200025704644 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.156 CN([13CH3])c1c(cccc1F)F 2230a_100000743377_200025704644 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.156 CN([13CH3])c1c(cccc1F)F 269982a_100000743377_200025704644 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.156 CN([13CH3])c1c(cccc1F)F 34a_100000743377_200025704644 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.156 CN([13CH3])c1c(cccc1F)F 38a_100000743377_200025704644 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,1,0,0,0,0|2,0,1]=4 659 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,1,0,0,0,0|2,0,1]=4 660 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,1,0,0,0,0|1,0,1]=3 664 B11R1.156 Cc1cccc(c1N(C)C)C 2230a_100011645471_200000210301 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.156 Cc1cccc(c1N(C)C)C 269982a_100011645471_200000210301 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.156 Cc1cccc(c1N(C)C)C 34a_100011645471_200000210301 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 2230a_100011645471_200025704644 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 269982a_100011645471_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 34a_100011645471_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.156 Cc1ccnc(c1N(C)C)F 27a_100102631434_100009818256 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.156 Oc1cccc(c1C(F)F)F 271570a_203496583355_100010189891 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,1,0,0,0,0|1,0,1]=3 678 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,1,0,0,0,0|1,0,1]=3 681 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,1,0,0,0,0|1,0,1]=3 683 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,1,0,0,0,0|1,0,1]=3 687 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,1,0,0,0,0|1,0,2]=4 688 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,1,0,0,0,0|1,0,2]=4 689 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,0|1,0,2]=4 690 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,1,0,0,0,0|1,0,2]=4 691 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,1,0,0,0,0|1,0,2]=4 692 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,1,0,0,0,0|1,0,2]=4 693 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,1,0,0,0,0|1,0,2]=4 694 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,1,0,0,0,0|1,0,2]=4 695 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,1,0,0,0,0|1,0,2]=4 696 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,1,0,0,0,0|1,0,2]=4 697 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,1,0,0,0,0|1,0,2]=4 698 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,1,0,0,0,0|1,0,2]=4 699 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,1,0,0,0,0|1,0,2]=4 700 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,1,0,0,0,0|1,0,2]=4 701 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,1,0,0,0,0|1,0,2]=4 702 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,1,0,0,0,0|1,0,2]=4 703 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,1,0,0,0,0|1,0,2]=4 704 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,1,0,0,0,0|1,0,2]=4 705 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,1,0,0,0,0|1,0,2]=4 706 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,1,0,0,0,0|1,0,2]=4 707 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,1,0,0,0,0|1,0,2]=4 708 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,1,0,0,0,0|1,0,2]=4 709 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,1,0,0,0,0|1,0,2]=4 710 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,1,0,0,0,0|1,0,2]=4 711 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,1,0,0,0,0|0,0,2]=3 712 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,1,0,0,0,0|0,0,2]=3 713 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,1,0,0,0,0|0,0,2]=3 714 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,1,0,0,0,0|0,0,2]=3 715 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,1,0,0,0,0|0,0,2]=3 716 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,1,0,0,0,0|0,0,2]=3 717 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,1,0,0,0,0|1,0,2]=4 718 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,1,0,0,0,0|1,0,2]=4 719 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,0|2,0,1]=4 723 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,0|2,0,1]=4 724 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,0|2,0,1]=4 736 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,0|2,0,1]=4 737 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,0|2,0,1]=4 746 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,0|2,0,1]=4 748 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,0|1,0,1]=3 751 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,0|1,0,1]=3 752 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,0|1,0,1]=3 754 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,0|1,0,1]=3 755 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,0|1,0,1]=3 756 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,0|1,0,1]=3 757 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [0,1,0,0,0,0|1,0,0]=2 758 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.159 CN(C)c1cccc(c1Cl)Cl 2230a_100000742713_200000210301 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.159 CN(C)c1cccc(c1Cl)Cl 269982a_100000742713_200000210301 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.159 CN(C)c1cccc(c1Cl)Cl 34a_100000742713_200000210301 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.159 CN(C)c1cccc(c1F)Cl 2230a_100020633735_200000210301 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.159 CN(C)c1cccc(c1F)Cl 269982a_100020633735_200000210301 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.159 CN(C)c1cccc(c1F)Cl 34a_100020633735_200000210301 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.159 CN(C)c1cccc(c1F)Cl 38a_100020633735_200000210301 [0,1,0,0,0,0|2,0,0]=3 766 B11R1.159 CN(C)c1ccnc(c1Br)F 27a_100102631434_100010006599 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.159 CN(C)c1ccnc(c1Cl)F 27a_100102631434_100010067886 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.159 CN(C)c1ccnc(c1F)F 27a_100102631434_100010214882 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 2230a_100000742713_200025704644 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 269982a_100000742713_200025704644 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 34a_100000742713_200025704644 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 2230a_100020633735_200025704644 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 269982a_100020633735_200025704644 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 34a_100020633735_200025704644 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 38a_100020633735_200025704644 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,0|2,0,1]=4 777 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,0|2,0,1]=4 778 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,0|2,0,1]=4 779 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,0|2,0,1]=4 780 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,0|2,0,1]=4 781 B11R1.159 Cc1c(cccc1N(C)C)Cl 2230a_100020606106_200000210301 [0,1,0,0,0,0|2,0,0]=3 782 B11R1.159 Cc1c(cccc1N(C)C)Cl 269982a_100020606106_200000210301 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.159 Cc1c(cccc1N(C)C)Cl 34a_100020606106_200000210301 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.159 Cc1c(cccc1N(C)C)Cl 38a_100020606106_200000210301 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 2230a_100020606106_200025704644 [0,1,0,0,0,0|2,0,0]=3 786 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 269982a_100020606106_200025704644 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 34a_100020606106_200025704644 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 38a_100020606106_200025704644 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.159 Cc1c(ccnc1F)N(C)C 27a_100102631434_100010006593 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,0|2,0,1]=4 793 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,0|2,0,1]=4 795 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,0|2,0,1]=4 796 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,0,0|2,0,1]=4 797 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,0|1,0,1]=3 798 B11R1.159 Cc1nccc(c1Cl)N(C)C 27a_100102631434_100000698670 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.159 Cc1nccc(c1F)N(C)C 27a_100102631434_100009849794 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.159 Oc1cccc(c1F)C(F)F 271570a_203496583355_100010189892 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,0|2,0,1]=4 806 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,0|2,0,1]=4 807 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,0|2,0,1]=4 809 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,0|2,0,1]=4 814 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,0|2,0,1]=4 816 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,0|2,0,1]=4 820 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,0|1,0,1]=3 822 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,0|1,0,1]=3 823 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,0|1,0,1]=3 824 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,0|1,0,1]=3 825 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,1,0,0,0,0|1,0,2]=4 826 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,1,0,0,0,0|1,0,2]=4 827 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,1,0,0,0,0|1,0,2]=4 828 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,1,0,0,0,0|1,0,2]=4 829 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,1,0,0,0,0|1,0,2]=4 830 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,1,0,0,0,0|1,0,2]=4 831 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,1,0,0,0,0|1,0,2]=4 832 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,1,0,0,0,0|1,0,2]=4 833 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,1,0,0,0,0|1,0,2]=4 834 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,1,0,0,0,0|1,0,2]=4 835 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,1,0,0,0,0|1,0,2]=4 836 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,1,0,0,0,0|1,0,2]=4 837 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,1,0,0,0,0|1,0,2]=4 838 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,1,0,0,0,0|1,0,2]=4 839 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,1,0,0,0,0|1,0,2]=4 840 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,1,0,0,0,0|1,0,2]=4 841 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,1,0,0,0,0|1,0,2]=4 842 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,1,0,0,0,0|1,0,2]=4 843 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,1,0,0,0,0|1,0,2]=4 844 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,1,0,0,0,0|1,0,2]=4 845 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,1,0,0,0,0|1,0,2]=4 846 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,1,0,0,0,0|1,0,2]=4 847 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,1,0,0,0,0|1,0,2]=4 848 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,1,0,0,0,0|1,0,2]=4 849 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,1,0,0,0,0|1,0,2]=4 850 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,1,0,0,0,0|1,0,2]=4 851 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,1,0,0,0,0|1,0,2]=4 852 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,1,0,0,0,0|1,0,2]=4 853 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,1,0,0,0,0|1,0,2]=4 854 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,1,0,0,0,0|1,0,2]=4 855 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,1,0,0,0,0|0,0,2]=3 856 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,1,0,0,0,0|0,0,2]=3 857 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,1,0,0,0,0|0,0,2]=3 858 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,1,0,0,0,0|0,0,2]=3 859 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,1,0,0,0,0|0,0,2]=3 860 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,1,0,0,0,0|1,0,2]=4 861 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,1,0,0,0,0|1,0,2]=4 862 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,1,0,0,0,0|1,0,2]=4 863 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,1,0,0,0,0|1,0,2]=4 864 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,1,0,0,0,0|1,0,2]=4 865 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,1,0,0,0,0|1,0,2]=4 866 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,1,0,0,0,0|2,0,1]=4 867 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,0|2,0,1]=4 868 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,0|2,0,1]=4 869 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,1,0,0,0,0|2,0,1]=4 870 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,1,0,0,0,0|2,0,1]=4 872 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,0,0,0|2,0,1]=4 873 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,0|2,0,1]=4 874 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,0|2,0,1]=4 875 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,0,0,0|2,0,1]=4 876 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,0,0,0|2,0,1]=4 877 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,0,0,0|2,0,1]=4 879 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,1,0,0,0,0|2,0,1]=4 880 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,0|2,0,1]=4 881 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,1,0,0,0,0|2,0,1]=4 883 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,1,0,0,0,0|2,0,1]=4 884 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,1,0,0,0,0|2,0,1]=4 885 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,0|2,0,1]=4 887 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,0|2,0,1]=4 888 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,1,0,0,0,0|2,0,1]=4 889 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,1,0,0,0,0|2,0,1]=4 890 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,1,0,0,0,0|2,0,1]=4 891 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,1,0,0,0,0|2,0,1]=4 893 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,0|2,0,1]=4 894 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,0|2,0,1]=4 895 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,1,0,0,0,0|2,0,1]=4 896 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,1,0,0,0,0|2,0,1]=4 897 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,1,0,0,0,0|1,0,1]=3 898 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,0|1,0,1]=3 899 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,0|1,0,1]=3 900 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,0|1,0,1]=3 901 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,1,0,0,0,0|1,0,1]=3 902 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,1,0,0,0,0|1,0,1]=3 903 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,1,0,0,0,0|1,0,1]=3 904 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,1,0,0,0,0|1,0,1]=3 905 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,1,0,0,0,0|1,0,1]=3 906 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,1,0,0,0,0|1,0,1]=3 907 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.166 CN(C)c1ccc(cc1Br)Br 269982a_200000221195_200000210301 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.166 CN(C)c1ccc(cc1Br)Br 34a_200000221195_200000210301 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.166 CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_200000210301 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.166 CN(C)c1ccc(cc1Br)Cl 34a_100020633009_200000210301 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.166 CN(C)c1ccc(cc1Br)F 269982a_100011246292_200000210301 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.166 CN(C)c1ccc(cc1Br)F 34a_100011246292_200000210301 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.166 CN(C)c1ccc(cc1Cl)Br 269982a_100000221650_200000210301 [0,1,0,0,0,0|2,0,0]=3 915 B11R1.166 CN(C)c1ccc(cc1Cl)Br 34a_100000221650_200000210301 [0,1,0,0,0,0|2,0,0]=3 916 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_200000210301 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_200000210301 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.166 CN(C)c1ccc(cc1F)Br 2230a_100000743884_200000210301 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.166 CN(C)c1ccc(cc1F)Br 269982a_100000743884_200000210301 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.166 CN(C)c1ccc(cc1F)Br 34a_100000743884_200000210301 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.166 CN(C)c1ccc(cc1F)F 2230a_100020633734_200000210301 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.166 CN(C)c1ccc(cc1F)F 269982a_100020633734_200000210301 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.166 CN(C)c1ccc(cc1F)F 34a_100020633734_200000210301 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.166 CN(C)c1ccc(cc1F)F 38a_100020633734_200000210301 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.166 CN(C)c1ccc(cc1F)I 269982a_114948340911_200000210301 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.166 CN(C)c1ccc(cc1F)I 34a_114948340911_200000210301 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.166 CN(C)c1ccc(cc1F)I 38a_114948340911_200000210301 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [0,1,0,0,0,0|1,0,0]=2 930 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [0,1,0,0,0,0|1,0,0]=2 931 B11R1.166 CN(C)c1ncc(cc1O)N 271570a_203496583355_200012353320 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 269982a_200000221195_200025704644 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 34a_200000221195_200025704644 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 269982a_100020633009_200025704644 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 34a_100020633009_200025704644 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 269982a_100011246292_200025704644 [0,1,0,0,0,0|2,0,0]=3 937 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 34a_100011246292_200025704644 [0,1,0,0,0,0|2,0,0]=3 938 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 269982a_100000221650_200025704644 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 34a_100000221650_200025704644 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 269982a_114849113696_200025704644 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 34a_114849113696_200025704644 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 2230a_100000743884_200025704644 [0,1,0,0,0,0|2,0,0]=3 943 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 269982a_100000743884_200025704644 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 34a_100000743884_200025704644 [0,1,0,0,0,0|2,0,0]=3 945 B11R1.166 CN([13CH3])c1ccc(cc1F)F 2230a_100020633734_200025704644 [0,1,0,0,0,0|2,0,0]=3 946 B11R1.166 CN([13CH3])c1ccc(cc1F)F 269982a_100020633734_200025704644 [0,1,0,0,0,0|2,0,0]=3 947 B11R1.166 CN([13CH3])c1ccc(cc1F)F 34a_100020633734_200025704644 [0,1,0,0,0,0|2,0,0]=3 948 B11R1.166 CN([13CH3])c1ccc(cc1F)F 38a_100020633734_200025704644 [0,1,0,0,0,0|2,0,0]=3 949 B11R1.166 CN([13CH3])c1ccc(cc1F)I 269982a_114948340911_200025704644 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.166 CN([13CH3])c1ccc(cc1F)I 34a_114948340911_200025704644 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.166 CN([13CH3])c1ccc(cc1F)I 38a_114948340911_200025704644 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [0,1,0,0,0,0|1,0,0]=2 953 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,0,0,0|2,0,1]=4 956 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.166 Cc1cc(ccc1N(C)C)Br 2230a_100000221803_200000210301 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.166 Cc1cc(ccc1N(C)C)Br 269982a_100000221803_200000210301 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.166 Cc1cc(ccc1N(C)C)Br 34a_100000221803_200000210301 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.166 Cc1cc(ccc1N(C)C)Cl 2230a_114849113698_200000210301 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.166 Cc1cc(ccc1N(C)C)Cl 269982a_114849113698_200000210301 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.166 Cc1cc(ccc1N(C)C)Cl 34a_114849113698_200000210301 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.166 Cc1cc(ccc1N(C)C)Cl 38a_114849113698_200000210301 [0,1,0,0,0,0|2,0,0]=3 965 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [0,1,0,0,0,0|2,0,0]=3 966 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [0,1,0,0,0,0|2,0,0]=3 967 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 2230a_100000221803_200025704644 [0,1,0,0,0,0|2,0,0]=3 968 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 269982a_100000221803_200025704644 [0,1,0,0,0,0|2,0,0]=3 969 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 34a_100000221803_200025704644 [0,1,0,0,0,0|2,0,0]=3 970 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 2230a_114849113698_200025704644 [0,1,0,0,0,0|2,0,0]=3 971 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 269982a_114849113698_200025704644 [0,1,0,0,0,0|2,0,0]=3 972 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 34a_114849113698_200025704644 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 38a_114849113698_200025704644 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [0,1,0,0,0,0|2,0,0]=3 975 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 2230a_100000221369_200000210301 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 269982a_100000221369_200000210301 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 34a_100000221369_200000210301 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 2230a_100000221369_200025704644 [0,1,0,0,0,0|2,0,0]=3 981 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 269982a_100000221369_200025704644 [0,1,0,0,0,0|2,0,0]=3 982 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 34a_100000221369_200025704644 [0,1,0,0,0,0|2,0,0]=3 983 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,0|2,0,1]=4 984 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,0|2,0,1]=4 985 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,0|2,0,1]=4 986 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,0|2,0,1]=4 987 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,0|1,0,1]=3 989 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,1,0,0,0,0|1,0,0]=2 990 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,1,0,0,0,0|2,0,1]=4 993 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,1,0,0,0,0|2,0,1]=4 994 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.166 Oc1cc(ccc1C(F)F)F 271570a_203496583355_100010169823 [0,1,0,0,0,0|2,0,0]=3 997 B11R1.166 Oc1ccc(c(c1)F)C(F)F 271570a_203496583355_100010169825 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,1,0,0,0,0|2,0,1]=4 999 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,1,0,0,0,0|2,0,1]=4 1001 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,1,0,0,0,0|2,0,1]=4 1002 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,1,0,0,0,0|2,0,1]=4 1006 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,1,0,0,0,0|2,0,1]=4 1007 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,1,0,0,0,0|2,0,1]=4 1011 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,1,0,0,0,0|2,0,1]=4 1013 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,1,0,0,0,0|2,0,1]=4 1016 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,1,0,0,0,0|1,0,1]=3 1017 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,0|1,0,1]=3 1018 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,1,0,0,0,0|1,0,1]=3 1019 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,1,0,0,0,0|1,0,1]=3 1020 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,1,0,0,0,0|1,0,1]=3 1021 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,1,0,0,0,0|1,0,2]=4 1022 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,1,0,0,0,0|1,0,2]=4 1023 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,1,0,0,0,0|1,0,2]=4 1024 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,1,0,0,0,0|1,0,2]=4 1025 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,1,0,0,0,0|1,0,2]=4 1026 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,1,0,0,0,0|1,0,2]=4 1027 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,1,0,0,0,0|1,0,2]=4 1028 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,0|1,0,2]=4 1029 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,1,0,0,0,0|1,0,2]=4 1030 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,1,0,0,0,0|1,0,2]=4 1031 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,1,0,0,0,0|1,0,2]=4 1032 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,1,0,0,0,0|1,0,2]=4 1033 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,1,0,0,0,0|1,0,2]=4 1034 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,1,0,0,0,0|1,0,2]=4 1035 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,1,0,0,0,0|1,0,2]=4 1036 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,1,0,0,0,0|1,0,2]=4 1037 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,1,0,0,0,0|1,0,2]=4 1038 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,1,0,0,0,0|1,0,2]=4 1039 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,1,0,0,0,0|1,0,2]=4 1040 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,1,0,0,0,0|1,0,2]=4 1041 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,1,0,0,0,0|1,0,2]=4 1042 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,1,0,0,0,0|1,0,2]=4 1043 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,1,0,0,0,0|1,0,2]=4 1044 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,1,0,0,0,0|1,0,2]=4 1045 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,1,0,0,0,0|1,0,2]=4 1046 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,1,0,0,0,0|1,0,2]=4 1047 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,1,0,0,0,0|1,0,2]=4 1048 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,1,0,0,0,0|1,0,2]=4 1049 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,1,0,0,0,0|1,0,2]=4 1050 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,1,0,0,0,0|1,0,2]=4 1051 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,1,0,0,0,0|0,0,2]=3 1052 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,1,0,0,0,0|0,0,2]=3 1053 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,1,0,0,0,0|0,0,2]=3 1054 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,1,0,0,0,0|0,0,2]=3 1055 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,1,0,0,0,0|0,0,2]=3 1056 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,1,0,0,0,0|0,0,2]=3 1057 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,1,0,0,0,0|1,0,2]=4 1058 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,1,0,0,0,0|1,0,2]=4 1059 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,1,0,0,0,0|1,0,2]=4 1060 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,1,0,0,0,0|1,0,2]=4 1061 B11R1.167 C=C(C)c1cc(ncc1O)Cl 271570a_100000694244_100000698892 [0,1,0,0,0,0|1,0,2]=4 1062 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,1,0,0,0,0|1,0,2]=4 1063 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,1,0,0,0,0|1,0,2]=4 1064 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,1,0,0,0,0|1,0,2]=4 1065 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,1,0,0,0,0|1,0,2]=4 1066 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,0|2,0,1]=4 1067 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,0|2,0,1]=4 1068 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,0|2,0,1]=4 1069 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,0|2,0,1]=4 1070 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,0|2,0,1]=4 1071 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,0|2,0,1]=4 1072 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,0|2,0,1]=4 1073 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,0|2,0,1]=4 1074 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,0|2,0,1]=4 1075 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,0|2,0,1]=4 1076 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,0|2,0,1]=4 1077 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,0|2,0,1]=4 1078 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,0|2,0,1]=4 1079 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,0|2,0,1]=4 1080 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,0|2,0,1]=4 1081 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,0|2,0,1]=4 1082 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,0|2,0,1]=4 1083 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,0|2,0,1]=4 1084 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,0|2,0,1]=4 1085 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,0|2,0,1]=4 1086 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,0|2,0,1]=4 1087 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,0|2,0,1]=4 1088 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,0|2,0,1]=4 1090 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,0|2,0,1]=4 1091 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,0|2,0,1]=4 1092 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,0|2,0,1]=4 1093 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,0|2,0,1]=4 1094 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,0|2,0,1]=4 1095 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,0|2,0,1]=4 1096 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,0|2,0,1]=4 1097 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,0|2,0,1]=4 1098 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,0|2,0,1]=4 1099 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,0|2,0,1]=4 1100 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,0|1,0,1]=3 1101 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,0|1,0,1]=3 1102 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,0|1,0,1]=3 1103 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,0|1,0,1]=3 1104 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,0|1,0,1]=3 1105 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,0|1,0,1]=3 1106 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,0|1,0,1]=3 1107 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,0|1,0,1]=3 1108 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|1,0,1]=3 1109 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,0|1,0,1]=3 1110 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,0|1,0,1]=3 1111 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,1,0,0,0,0|2,0,1]=4 1112 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [0,1,0,0,0,0|1,0,0]=2 1113 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [0,1,0,0,0,0|1,0,0]=2 1114 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,1,0,0,0,0|0,0,0]=1 1115 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,1,0,0,0,0|0,0,0]=1 1116 B11R1.167 CC(C)n1cc(ccc1=O)O 271570a_203496583355_100016995121 [0,1,0,0,0,0|1,0,1]=3 1117 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,1,0,0,0,0|1,0,0]=2 1118 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.167 CN(C)c1cc(ccc1Br)Cl 269982a_100020633006_200000210301 [0,1,0,0,0,0|2,0,0]=3 1120 B11R1.167 CN(C)c1cc(ccc1Br)Cl 34a_100020633006_200000210301 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.167 CN(C)c1cc(ccc1Br)F 2230a_100020633008_200000210301 [0,1,0,0,0,0|2,0,0]=3 1122 B11R1.167 CN(C)c1cc(ccc1Br)F 269982a_100020633008_200000210301 [0,1,0,0,0,0|2,0,0]=3 1123 B11R1.167 CN(C)c1cc(ccc1Br)F 34a_100020633008_200000210301 [0,1,0,0,0,0|2,0,0]=3 1124 B11R1.167 CN(C)c1cc(ccc1Cl)Br 269982a_100011772073_200000210301 [0,1,0,0,0,0|2,0,0]=3 1125 B11R1.167 CN(C)c1cc(ccc1Cl)Br 34a_100011772073_200000210301 [0,1,0,0,0,0|2,0,0]=3 1126 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_200000210301 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 34a_100000742562_200000210301 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.167 CN(C)c1cc(ccc1F)Br 2230a_100011314990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.167 CN(C)c1cc(ccc1F)Br 269982a_100011314990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1130 B11R1.167 CN(C)c1cc(ccc1F)Br 34a_100011314990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.167 CN(C)c1cc(ccc1F)Br 38a_100011314990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1132 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [0,1,0,0,0,0|2,0,0]=3 1133 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,1,0,0,0,0|1,0,0]=2 1134 B11R1.167 CN(C)c1cc(cnc1F)Br 27a_100102631434_100010172738 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.167 CN(C)c1cc(cnc1F)Cl 27a_100102631434_100010188783 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.167 CN(C)c1cc(cnc1N)O 271570a_203496583355_100020672572 [0,1,0,0,0,0|3,0,0]=4 1137 B11R1.167 CN(C)c1cc(ncc1Br)Br 27a_100102631434_100010171693 [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.167 CN(C)c1cc(ncc1Cl)F 27a_100102631434_100009892587 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.167 CN(C)c1cc(ncc1F)F 27a_100102631434_100010233071 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.167 CN(C)c1nc(ccc1F)F 27a_100102631434_100010997973 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.167 CN(C)c1nc(ccc1N)F 27a_100102631434_100009879877 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 269982a_100020633006_200025704644 [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 34a_100020633006_200025704644 [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 2230a_100020633008_200025704644 [0,1,0,0,0,0|2,0,0]=3 1145 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 269982a_100020633008_200025704644 [0,1,0,0,0,0|2,0,0]=3 1146 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 34a_100020633008_200025704644 [0,1,0,0,0,0|2,0,0]=3 1147 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 269982a_100011772073_200025704644 [0,1,0,0,0,0|2,0,0]=3 1148 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 34a_100011772073_200025704644 [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 269982a_100000742562_200025704644 [0,1,0,0,0,0|2,0,0]=3 1150 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 34a_100000742562_200025704644 [0,1,0,0,0,0|2,0,0]=3 1151 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 2230a_100011314990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1152 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 269982a_100011314990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1153 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 34a_100011314990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1154 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 38a_100011314990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1155 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,1,0,0,0,0|1,0,0]=2 1156 B11R1.167 Cc1cc(c(cn1)F)N(C)C 27a_100102631434_100009867690 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,0,0|2,0,1]=4 1159 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,0|2,0,1]=4 1160 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,0|2,0,1]=4 1161 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,0|2,0,1]=4 1162 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,0|1,0,1]=3 1165 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,0|2,0,1]=4 1166 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,0|2,0,1]=4 1167 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,0|2,0,1]=4 1168 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.167 Cc1ccc(cc1N(C)C)Br 2230a_100020629602_200000210301 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.167 Cc1ccc(cc1N(C)C)Br 269982a_100020629602_200000210301 [0,1,0,0,0,0|2,0,0]=3 1172 B11R1.167 Cc1ccc(cc1N(C)C)Br 34a_100020629602_200000210301 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.167 Cc1ccc(cc1N(C)C)Br 38a_100020629602_200000210301 [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.167 Cc1ccc(cc1N(C)C)Cl 2230a_100000221440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.167 Cc1ccc(cc1N(C)C)Cl 269982a_100000221440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.167 Cc1ccc(cc1N(C)C)Cl 34a_100000221440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1177 B11R1.167 Cc1ccc(cc1N(C)C)Cl 38a_100000221440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.167 Cc1ccc(cc1N(C)C)F 2230a_114849113390_200000210301 [0,1,0,0,0,0|2,0,0]=3 1179 B11R1.167 Cc1ccc(cc1N(C)C)F 269982a_114849113390_200000210301 [0,1,0,0,0,0|2,0,0]=3 1180 B11R1.167 Cc1ccc(cc1N(C)C)F 34a_114849113390_200000210301 [0,1,0,0,0,0|2,0,0]=3 1181 B11R1.167 Cc1ccc(cc1N(C)C)F 38a_114849113390_200000210301 [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 2230a_100020629602_200025704644 [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 269982a_100020629602_200025704644 [0,1,0,0,0,0|2,0,0]=3 1184 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 34a_100020629602_200025704644 [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 38a_100020629602_200025704644 [0,1,0,0,0,0|2,0,0]=3 1186 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 2230a_100000221440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 269982a_100000221440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1188 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 34a_100000221440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1189 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 38a_100000221440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1190 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 2230a_114849113390_200025704644 [0,1,0,0,0,0|2,0,0]=3 1191 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 269982a_114849113390_200025704644 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 34a_114849113390_200025704644 [0,1,0,0,0,0|2,0,0]=3 1193 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 38a_114849113390_200025704644 [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.167 Cc1cnc(c(c1)N(C)C)F 27a_100102631434_100009820679 [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.167 Cc1cnc(cc1N(C)C)F 27a_100102631434_100000049870 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,1,0,0,0,0|2,0,1]=4 1197 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,1,0,0,0,0|2,0,1]=4 1198 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,0,0|2,0,1]=4 1199 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,1,0,0,0,0|2,0,1]=4 1200 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.167 Oc1ccc(c(c1)C(F)F)F 271570a_203496583355_100010167061 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.167 Oc1ccc(cc1C(F)F)F 271570a_203496583355_100010189890 [0,1,0,0,0,0|2,0,0]=3 1204 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,0|2,0,1]=4 1206 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,0|2,0,1]=4 1208 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,0|2,0,1]=4 1209 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,0|2,0,1]=4 1210 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,0|2,0,1]=4 1212 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,0|2,0,1]=4 1213 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,0|2,0,1]=4 1214 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,0|2,0,1]=4 1215 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,0|2,0,1]=4 1216 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,0|2,0,1]=4 1217 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,0|2,0,1]=4 1218 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,0|2,0,1]=4 1219 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,0|2,0,1]=4 1220 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,0|2,0,1]=4 1221 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,0|2,0,1]=4 1222 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,0|2,0,1]=4 1223 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,0|2,0,1]=4 1224 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,0|1,0,1]=3 1225 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,0|1,0,1]=3 1226 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,0|1,0,1]=3 1227 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,0|1,0,1]=3 1228 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,0|1,0,1]=3 1229 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,1,0,0,0,0|0,0,1]=2 1230 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,0,0|1,0,0]=2 1231 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,0,0|1,0,0]=2 1232 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,0,0|1,0,0]=2 1233 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,0,0|1,0,0]=2 1234 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,0,0|1,0,0]=2 1235 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,0,0,0|1,0,0]=2 1236 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,1,0,0,0,0|2,0,0]=3 1237 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,0,0|1,0,0]=2 1238 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,0,0|1,0,0]=2 1239 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,0,0|1,0,0]=2 1240 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,0,0|1,0,0]=2 1241 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,0,0|1,0,0]=2 1242 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,0,0|1,0,0]=2 1243 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,0,0|1,0,0]=2 1244 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,0,0,0,0|2,0,0]=3 1245 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,1,0,0,0,0|1,0,0]=2 1248 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,1,0,0,0,0|1,0,0]=2 1249 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,1,0,0,0,0|1,0,0]=2 1250 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,1,0,0,0,0|1,0,0]=2 1251 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,1,0,0,0,0|2,0,1]=4 1252 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|2,0,1]=4 1253 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,1,0,0,0,0|2,0,1]=4 1254 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,1,0,0,0,0|2,0,1]=4 1255 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,1,0,0,0,0|2,0,1]=4 1256 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,0,0,0|1,0,1]=3 1257 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,1,0,0,0,0|1,0,2]=4 1258 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,1,0,0,0,0|2,0,0]=3 1260 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,1,0,0,0,0|2,0,0]=3 1263 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,1,0,0,0,0|2,0,0]=3 1264 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,1,0,0,0,0|2,0,0]=3 1265 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,1,0,0,0,0|2,0,0]=3 1266 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,1,0,0,0,0|2,0,0]=3 1267 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,1,0,0,0,0|2,0,0]=3 1268 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,1,0,0,0,0|2,0,0]=3 1271 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,1,0,0,0,0|2,0,0]=3 1272 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,1,0,0,0,0|2,0,0]=3 1276 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,1,0,0,0,0|2,0,0]=3 1277 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1278 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,1,0,0,0,0|2,0,0]=3 1279 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,1,0,0,0,0|2,0,0]=3 1280 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,0,0,0|1,0,0]=2 1281 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,0,0,0|1,0,0]=2 1282 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,1,0,0,0,0|2,0,0]=3 1284 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,1,0,0,0,0|2,0,0]=3 1285 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,1,0,0,0,0|2,0,0]=3 1286 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,1,0,0,0,0|2,0,0]=3 1288 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,1,0,0,0,0|2,0,0]=3 1289 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,1,0,0,0,0|2,0,0]=3 1291 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,0,0,0|1,0,0]=2 1292 B11R1.222 CN(CF)c1ccccc1Br 269982a_100020606079_100015361967 [0,1,0,0,0,0|2,0,0]=3 1293 B11R1.222 CN(CF)c1ccccc1Br 34a_100020606079_100015361967 [0,1,0,0,0,0|2,0,0]=3 1294 B11R1.222 CN(CF)c1ccccc1Cl 269982a_100000219374_100015361967 [0,1,0,0,0,0|2,0,0]=3 1295 B11R1.222 CN(CF)c1ccccc1Cl 34a_100000219374_100015361967 [0,1,0,0,0,0|2,0,0]=3 1296 B11R1.222 CN(CF)c1ccccc1F 269982a_100000220357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.222 CN(CF)c1ccccc1F 34a_100000220357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.222 CN(CF)c1ccccc1F 38a_100000220357_100015361967 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [0,1,0,0,0,0|1,0,0]=2 1300 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,0,0|2,0,1]=4 1301 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,0,0|2,0,1]=4 1302 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,0,0|2,0,1]=4 1303 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,0,0|2,0,1]=4 1304 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|2,0,1]=4 1305 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|2,0,1]=4 1306 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|2,0,1]=4 1307 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|2,0,1]=4 1308 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,0,0|2,0,1]=4 1309 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,0,0|2,0,1]=4 1310 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,0,0|2,0,1]=4 1311 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,0,0|2,0,1]=4 1312 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,0,0|2,0,1]=4 1313 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,0,0|2,0,1]=4 1314 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,0,0|2,0,1]=4 1315 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,0,0|2,0,1]=4 1316 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,0,0|2,0,1]=4 1317 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,0,0|2,0,1]=4 1318 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,0,0|2,0,1]=4 1319 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,0,0|2,0,1]=4 1320 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,0,0|1,0,1]=3 1321 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,0,0|1,0,1]=3 1322 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,0,0|1,0,2]=4 1323 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,0,0|1,0,2]=4 1324 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,0,0|1,0,2]=4 1325 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,1,0,0,0,0|2,0,1]=4 1326 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,0,0|1,0,0]=2 1327 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,0,0|1,0,0]=2 1328 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,0,0|1,0,0]=2 1329 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,0,0|1,0,0]=2 1330 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,0,0|1,0,0]=2 1331 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,0,0|1,0,0]=2 1332 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,0,0|1,0,0]=2 1333 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,0,0|1,0,0]=2 1334 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,0,0|1,0,0]=2 1335 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,0,0|1,0,0]=2 1336 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,0,0|1,0,0]=2 1337 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,0,0|1,0,0]=2 1338 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,0,0|1,0,0]=2 1339 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,0,0|1,0,0]=2 1340 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,0,0|1,0,0]=2 1341 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,0,0|1,0,0]=2 1342 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,0,0|1,0,0]=2 1343 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,0,0|0,0,0]=1 1344 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,0,0|2,0,0]=3 1345 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,0,0,0|1,0,0]=2 1346 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [0,1,0,0,0,0|2,0,0]=3 1347 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [0,1,0,0,0,0|2,0,0]=3 1348 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [0,1,0,0,0,0|2,0,0]=3 1349 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,0,0,0,0|2,0,0]=3 1350 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,0,0,0,0|2,0,0]=3 1351 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,1,0,0,0,0|2,0,0]=3 1352 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,1,0,0,0,0|2,0,0]=3 1353 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,0,0,0,0|2,0,0]=3 1354 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,0,0,0,0|2,0,0]=3 1355 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,1,0,0,0,0|2,0,0]=3 1357 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,1,0,0,0,0|2,0,0]=3 1358 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,0,0|0,0,0]=1 1361 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,1,0,0,0,0|1,0,1]=3 1362 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,1,0,0,0,0|2,0,1]=4 1363 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,1,0,0,0,0|2,0,1]=4 1364 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,1,0,0,0,0|2,0,1]=4 1365 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,1,0,0,0,0|2,0,1]=4 1366 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,0,0|1,0,0]=2 1367 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,0,0|1,0,0]=2 1368 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,0,0|1,0,0]=2 1369 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,0,0|1,0,0]=2 1370 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,0,0|1,0,0]=2 1371 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,0,0|1,0,0]=2 1372 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,0,0|1,0,0]=2 1373 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,0,0|1,0,0]=2 1374 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,0,0|1,0,0]=2 1375 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,0,0|1,0,0]=2 1376 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,0,0,0,0|2,0,0]=3 1377 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,0,0,0,0|2,0,0]=3 1378 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [0,1,0,0,0,0|2,0,0]=3 1379 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,1,0,0,0,0|2,0,0]=3 1380 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,0,0,0,0|1,0,0]=2 1381 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,1,0,0,0,0|1,0,0]=2 1382 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,1,0,0,0,0|1,0,0]=2 1383 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,1,0,0,0,0|1,0,0]=2 1384 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,1,0,0,0,0|1,0,0]=2 1385 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,0,0|0,0,0]=1 1386 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,1,0,0,0,0|2,0,0]=3 1387 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|2,0,1]=4 1388 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,0,0|1,0,0]=2 1389 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,0,0|1,0,0]=2 1390 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,0,0|1,0,0]=2 1391 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,0,0|1,0,0]=2 1392 B11R1.222 Cc1ccccc1N(C)CF 269982a_100000219699_100015361967 [0,1,0,0,0,0|2,0,0]=3 1393 B11R1.222 Cc1ccccc1N(C)CF 34a_100000219699_100015361967 [0,1,0,0,0,0|2,0,0]=3 1394 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,1,0,0,0,0|1,0,0]=2 1396 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,1,0,0,0,0|2,0,1]=4 1397 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,0,0,0|1,0,0]=2 1398 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,1,0,0,0,0|2,0,1]=4 1399 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,1,0,0,0,0|2,0,1]=4 1400 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,1,0,0,0,0|2,0,1]=4 1401 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,1,0,0,0,0|2,0,1]=4 1402 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,1,0,0,0,0|1,0,1]=3 1403 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,1,0,0,0,0|1,0,2]=4 1404 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,1,0,0,0|2,0,1]=4 1405 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,0,1,0,0,0|0,0,2]=3 1406 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,0,1,0,0,0|1,0,2]=4 1407 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,0,1,0,0,0|1,0,1]=3 1408 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|1,0,2]=4 1409 B11R2.55 Brc1ccccc1C2CC2 271570a_100011220607_100000695589 [0,0,0,1,0,0|1,0,0]=2 1410 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [0,0,0,1,0,0|2,0,0]=3 1411 B11R2.55 Brc1ccncc1C2CC2 271570a_100011220607_100010138639 [0,0,0,1,0,0|2,0,0]=3 1412 B11R2.55 Brc1cnccc1C2CC2 271570a_100011220607_100000726257 [0,0,0,1,0,0|2,0,0]=3 1413 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [0,0,0,1,0,0|2,0,0]=3 1414 B11R2.55 Brc1ncncc1C2CC2 271570a_100011220607_200012461658 [0,0,0,1,0,0|3,0,0]=4 1415 B11R2.55 C[n+]1ccccc1C2CC2 271570a_100011220607_100000212160 [0,0,0,1,0,0|2,0,0]=3 1416 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [0,0,0,1,0,0|1,0,0]=2 1417 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [0,0,0,1,0,0|2,0,0]=3 1418 B11R2.55 Cc1ccncc1C2CC2 271570a_100011220607_100000761580 [0,0,0,1,0,0|2,0,0]=3 1419 B11R2.55 Cc1ccnnc1C2CC2 271570a_100011220607_100000089043 [0,0,0,1,0,0|3,0,0]=4 1420 B11R2.55 Cc1cnccc1C2CC2 271570a_100011220607_100015191297 [0,0,0,1,0,0|2,0,0]=3 1421 B11R2.55 Cc1cncnc1C2CC2 271570a_100011220607_100011998708 [0,0,0,1,0,0|3,0,0]=4 1422 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [0,0,0,1,0,0|2,0,0]=3 1423 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [0,0,0,1,0,0|3,0,0]=4 1424 B11R2.55 Cc1ncncc1C2CC2 271570a_100011220607_100009819671 [0,0,0,1,0,0|3,0,0]=4 1425 B11R2.55 Clc1ccccc1C2CC2 271570a_100011220607_100000764095 [0,0,0,1,0,0|1,0,0]=2 1426 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [0,0,0,1,0,0|2,0,0]=3 1427 B11R2.55 Clc1ccncc1C2CC2 271570a_100011220607_100009995489 [0,0,0,1,0,0|2,0,0]=3 1428 B11R2.55 Clc1cnccc1C2CC2 271570a_100011220607_100000708259 [0,0,0,1,0,0|2,0,0]=3 1429 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [0,0,0,1,0,0|2,0,0]=3 1430 B11R2.55 Clc1ncncc1C2CC2 271570a_100011220607_100000758962 [0,0,0,1,0,0|3,0,0]=4 1431 B11R2.55 Fc1ccccc1C2CC2 271570a_100011220607_100011215700 [0,0,0,1,0,0|1,0,0]=2 1432 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [0,0,0,1,0,0|2,0,0]=3 1433 B11R2.55 Fc1ccncc1C2CC2 271570a_100011220607_100009820683 [0,0,0,1,0,0|2,0,0]=3 1434 B11R2.55 Fc1cnccc1C2CC2 271570a_100011220607_100000047030 [0,0,0,1,0,0|2,0,0]=3 1435 B11R2.55 Fc1cncnc1C2CC2 271570a_100011220607_100000069762 [0,0,0,1,0,0|3,0,0]=4 1436 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [0,0,0,1,0,0|2,0,0]=3 1437 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [0,0,0,1,0,0|3,0,0]=4 1438 B11R2.55 Nc1ccccc1C2CC2 271570a_100011220607_100000210017 [0,0,0,1,0,0|1,0,0]=2 1439 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [0,0,0,1,0,0|2,0,0]=3 1440 B11R2.55 Nc1ccncc1C2CC2 271570a_100011220607_100000047001 [0,0,0,1,0,0|2,0,0]=3 1441 B11R2.55 Nc1cnccc1C2CC2 271570a_100011220607_100009815883 [0,0,0,1,0,0|2,0,0]=3 1442 B11R2.55 Nc1cncnc1C2CC2 271570a_100011220607_100000709731 [0,0,0,1,0,0|3,0,0]=4 1443 B11R2.55 Nc1cnncc1C2CC2 271570a_100011220607_100009829405 [0,0,0,1,0,0|3,0,0]=4 1444 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [0,0,0,1,0,0|2,0,0]=3 1445 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [0,0,0,1,0,0|3,0,0]=4 1446 B11R2.55 Nc1ncncc1C2CC2 271570a_100011220607_100011996079 [0,0,0,1,0,0|3,0,0]=4 1447 B11R2.55 O=c1[nH]cccc1C2CC2 271570a_100011220607_100000050042 [0,0,0,1,0,0|1,0,1]=3 1448 B11R2.55 O=c1[nH]ccnc1C2CC2 271570a_100011220607_100000763361 [0,0,0,1,0,0|2,0,1]=4 1449 B11R2.55 O=c1[nH]nccc1C2CC2 271570a_100011220607_100000087129 [0,0,0,1,0,0|2,0,1]=4 1450 B11R2.55 O=c1cc[nH]cc1C2CC2 271570a_100011220607_100009998708 [0,0,0,1,0,0|1,0,1]=3 1451 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [0,0,0,1,0,0|0,0,0]=1 1452 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [0,0,0,1,0,0|0,0,0]=1 1453 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [0,0,0,1,0,0|1,0,0]=2 1454 B11R2.55 Oc1cnccc1C2CC2 271570a_100011220607_100009817591 [0,0,0,1,0,0|1,0,0]=2 1455 B11R2.55 Oc1cncnc1C2CC2 271570a_203496583355_200009889426 [0,0,0,1,0,0|2,0,0]=3 1456 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [0,0,0,1,0,0|1,0,0]=2 1457 B11R2.55 Oc1ncncc1C2CC2 271570a_100011220607_100000751107 [0,0,0,1,0,0|2,0,0]=3 1458 B11R2.55 S=c1cc[nH]cc1C2CC2 271570a_100011220607_200012280681 [0,0,0,1,0,0|1,1,0]=3 1459 B11R2.55 [O-][n+]1ccccc1C2CC2 271570a_100011220607_200000042595 [0,0,0,1,0,0|1,0,1]=3 1460 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,1,0|2,0,1]=4 1461 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [0,0,0,0,1,0|2,0,0]=3 1462 B9R1.41 CC(C)n1ccnc1O 271570a_203496583355_100009820211 [0,0,0,0,1,0|2,0,0]=3 1463 B9R1.41 CC(C)n1cncc1O 271570a_203496583355_100009849687 [0,0,0,0,1,0|2,0,0]=3 1464 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [0,0,0,0,1,0|2,0,0]=3 1465 B9R1.41 CC(C)n1ncnc1O 271570a_203496583355_100009989917 [0,0,0,0,1,0|3,0,0]=4 1466 B9R1.41 Oc1ccsc1C(F)F 271570a_203496583355_100000733619 [0,0,0,0,1,0|3,0,0]=4 1467 B11R1.86 CC(=Cc1c[nH]ccc1=O)C 271570a_100102525489_100009998708 [0,0,0,0,0,1|1,0,2]=4 1468 B11R1.86 CC(=Cc1c[nH]ccc1=S)C 271570a_100102525489_200012280681 [0,0,0,0,0,1|1,1,1]=4 1469 B11R1.86 CC(=Cc1ccc[nH]c1=O)C 271570a_100102525489_100000050042 [0,0,0,0,0,1|1,0,2]=4 1470 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,0,0,0,0,1|2,0,1]=4 1471 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,0,0,0,0,1|1,0,2]=4 1472 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,0,0,0,0,1|1,0,1]=3 1473 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,1|1,0,1]=3 1474 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,0,0,0,0,1|1,0,1]=3 1475 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,0,0,0,0,1|1,0,1]=3 1476 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,0,0,0,0,1|1,0,1]=3 1477 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,0,0,0,0,1|0,0,1]=2 1478 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,0,0,0,0,1|2,0,1]=4 1479 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,0,0,0,1|2,0,1]=4 1480 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,0,0,0,0,1|2,0,1]=4 1481 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,0,0,0,0,1|2,0,1]=4 1482 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,0,0,0,0,1|2,0,1]=4 1483 B11R1.86 CC(=Cc1ccncc1Br)C 271570a_100102525489_100000726257 [0,0,0,0,0,1|2,0,1]=4 1484 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [0,0,0,0,0,1|2,0,1]=4 1485 B11R1.86 CC(=Cc1ccncc1Cl)C 271570a_100102525489_100000708259 [0,0,0,0,0,1|2,0,1]=4 1486 B11R1.86 CC(=Cc1ccncc1F)C 271570a_100102525489_100000047030 [0,0,0,0,0,1|2,0,1]=4 1487 B11R1.86 CC(=Cc1ccncc1N)C 271570a_100102525489_100009815883 [0,0,0,0,0,1|2,0,1]=4 1488 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [0,0,0,0,0,1|1,0,1]=3 1489 B11R1.86 CC(=Cc1cnccc1Br)C 271570a_100102525489_100010138639 [0,0,0,0,0,1|2,0,1]=4 1490 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,0,0,0,0,1|2,0,1]=4 1491 B11R1.86 CC(=Cc1cnccc1Cl)C 271570a_100102525489_100009995489 [0,0,0,0,0,1|2,0,1]=4 1492 B11R1.86 CC(=Cc1cnccc1F)C 271570a_100102525489_100009820683 [0,0,0,0,0,1|2,0,1]=4 1493 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [0,0,0,0,0,1|2,0,1]=4 1494 B11R1.86 CC(=Cc1cncnc1O)C 271570a_100102525489_100000751107 [0,0,0,0,0,1|2,0,1]=4 1495 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,0,0,0,0,1|2,0,1]=4 1496 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,0,0,0,1|2,0,1]=4 1497 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,0,0,0,0,1|2,0,1]=4 1498 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,0,0,0,0,1|2,0,1]=4 1499 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,0,0,0,0,1|2,0,1]=4 1500 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,0,0,0,0,1|1,0,1]=3 1501 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,0,1|2,0,1]=4 1502 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,0,1|2,0,1]=4 1503 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,1|2,0,1]=4 1504 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,1|2,0,1]=4 1505 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,0,1|2,0,1]=4 1506 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,0,1|2,0,1]=4 1507 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,0,1|2,0,1]=4 1508 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,0,1|2,0,1]=4 1509 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,0,1|2,0,1]=4 1510 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,0,1|2,0,1]=4 1511 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,0,1|1,0,1]=3 1512 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,0,1|1,0,1]=3 1513 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,1|2,0,1]=4 1514 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,0,1|2,0,1]=4 1515 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,0,1|2,0,1]=4 1516 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,0,1|2,0,1]=4 1517 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,0,1|2,0,1]=4 1518 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,0,1|2,0,1]=4 1519 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,0,1|2,0,1]=4 1520 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,0,1|2,0,1]=4 1521 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,0,1|2,0,1]=4 1522 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,0,1|2,0,1]=4 1523 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,0,1|2,0,1]=4 1524 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,0,1|2,0,1]=4 1525 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,0,1|2,0,1]=4 1526 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,0,1|2,0,1]=4 1527 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,0,1|2,0,1]=4 1528 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,0,1|2,0,1]=4 1529 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,0,1|2,0,1]=4 1530 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,0,1|1,0,1]=3 1531 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,0,1|1,0,1]=3 1532 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,0,1|1,0,1]=3 1533 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,0,0,0,0,1|2,0,1]=4 1534 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,0,1|1,0,1]=3 1535 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,0,1|2,0,1]=4 1536 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,0,0,0,0,1|1,0,0]=2 1537 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,0,0,0,0,1|1,0,0]=2 1538 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,0,0,0,0,1|1,0,0]=2 1539 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,0,0,0,0,1|1,0,0]=2 1540 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,0,0,0,0,1|0,0,0]=1 1541 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,0,0,0,0,1|0,0,0]=1 1542 B11R1.86 CC(C)Nc1ccn[nH]c1=O 27a_100138425928_100000087129 [0,0,0,0,0,1|2,0,1]=4 1543 B11R1.86 CC(C)Nc1ccncc1Br 27a_100138425928_100000726257 [0,0,0,0,0,1|2,0,0]=3 1544 B11R1.86 CC(C)Nc1ccncc1F 27a_100138425928_100000035921 [0,0,0,0,0,1|2,0,0]=3 1545 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [0,0,0,0,0,1|2,0,0]=3 1546 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [0,0,0,0,0,1|3,0,0]=4 1547 B11R1.86 CC(C)Nc1ncncc1F 27a_100138425928_100000069762 [0,0,0,0,0,1|3,0,0]=4 1548 B11R1.86 CC(C)Nc1ncncc1N 27a_100138425928_100000709731 [0,0,0,0,0,1|3,0,0]=4 1549 B11R1.86 CC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000210206 [0,0,0,0,0,1|1,0,1]=3 1550 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,0,0,0,0,1|1,0,0]=2 1551 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,0,0,0,0,1|1,0,0]=2 1552 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,0,0,0,0,1|1,0,0]=2 1553 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,0,0,0,0,1|1,0,0]=2 1554 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,0,0,0,0,1|1,0,0]=2 1555 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,0,0,0,0,1|1,0,0]=2 1556 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,0,0,0,0,1|1,0,0]=2 1557 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,0,0,0,0,1|1,0,0]=2 1558 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,0,0,0,0,1|1,0,0]=2 1559 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,0,0,0,0,1|1,0,0]=2 1560 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,0,0,0,0,1|0,0,0]=1 1561 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [0,0,0,0,0,1|2,0,0]=3 1562 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [0,0,0,0,0,1|2,0,0]=3 1563 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [0,0,0,0,0,1|2,0,0]=3 1564 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [0,0,0,0,0,1|2,0,0]=3 1565 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [0,0,0,0,0,1|2,0,0]=3 1566 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [0,0,0,0,0,1|2,0,0]=3 1567 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [0,0,0,0,0,1|2,0,0]=3 1568 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [0,0,0,0,0,1|2,0,0]=3 1569 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [0,0,0,0,0,1|2,0,0]=3 1570 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [0,0,0,0,0,1|2,0,0]=3 1571 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [0,0,0,0,0,1|1,0,1]=3 1572 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [0,0,0,0,0,1|1,0,1]=3 1573 B11R1.86 CC(C)Oc1ccncc1Br 34a_100011996408_100000210206 [0,0,0,0,0,1|2,0,0]=3 1574 B11R1.86 CC(C)Oc1ccncc1Cl 34a_100011997054_100000210206 [0,0,0,0,0,1|2,0,0]=3 1575 B11R1.86 CC(C)Oc1ccncc1F 34a_200000081243_100000210206 [0,0,0,0,0,1|2,0,0]=3 1576 B11R1.86 CC(C)Oc1cnccc1Cl 34a_100011996695_100000210206 [0,0,0,0,0,1|2,0,0]=3 1577 B11R1.86 CC(C)Oc1cnccc1I 34a_100000050107_100000210206 [0,0,0,0,0,1|2,0,0]=3 1578 B11R1.86 CC(C)Oc1cnccc1N 34a_100000753702_100000210206 [0,0,0,0,0,1|2,0,0]=3 1579 B11R1.86 CC(C)Oc1cncnc1N 7a_100000112926_100000210206 [0,0,0,0,0,1|3,0,0]=4 1580 B11R1.86 CC(C)Oc1coccc1=O 34a_100000060831_100000210206 [0,0,0,0,0,1|1,0,1]=3 1581 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [0,0,0,0,0,1|2,0,0]=3 1582 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [0,0,0,0,0,1|2,0,0]=3 1583 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [0,0,0,0,0,1|2,0,0]=3 1584 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [0,0,0,0,0,1|1,0,0]=2 1585 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100000210206_100009998708 [0,0,0,0,0,1|1,0,1]=3 1586 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000210206 [0,0,0,0,0,1|1,0,1]=3 1587 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_100000210206_200012280681 [0,0,0,0,0,1|1,1,0]=3 1588 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000210206 [0,0,0,0,0,1|1,1,0]=3 1589 B11R1.86 CC(C)Sc1cccc[n+]1C 62a_100000210206_100000212160 [0,0,0,0,0,1|2,0,0]=3 1590 B11R1.86 CC(C)Sc1cccc[n+]1[O-] 62a_100000210206_200000042595 [0,0,0,0,0,1|1,0,1]=3 1591 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,0,0,0,0,1|1,0,0]=2 1592 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,0,0,0,0,1|1,0,0]=2 1593 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,0,0,0,0,1|1,0,0]=2 1594 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,0,0,0,0,1|1,0,0]=2 1595 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,0,0,0,0,1|1,0,0]=2 1596 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,0,0,0,0,1|1,0,0]=2 1597 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,0,0,0,0,1|1,0,0]=2 1598 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,0,0,0,0,1|1,0,0]=2 1599 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,0,0,0,0,1|0,0,0]=1 1600 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,0,0,0,0,1|0,0,0]=1 1601 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [0,0,0,0,0,1|2,0,0]=3 1602 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [0,0,0,0,0,1|2,0,0]=3 1603 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [0,0,0,0,0,1|2,0,0]=3 1604 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [0,0,0,0,0,1|2,0,0]=3 1605 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [0,0,0,0,0,1|2,0,0]=3 1606 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [0,0,0,0,0,1|2,0,0]=3 1607 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [0,0,0,0,0,1|2,0,0]=3 1608 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [0,0,0,0,0,1|2,0,0]=3 1609 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [0,0,0,0,0,1|1,0,0]=2 1610 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [0,0,0,0,0,1|1,0,0]=2 1611 B11R1.86 CC(C)Sc1ccn[nH]c1=O 62a_100000210206_100000087129 [0,0,0,0,0,1|2,0,1]=4 1612 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000210206_100000726257 [0,0,0,0,0,1|2,0,0]=3 1613 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000726257_100000210206 [0,0,0,0,0,1|2,0,0]=3 1614 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000210206_100000708259 [0,0,0,0,0,1|2,0,0]=3 1615 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000708259_100000210206 [0,0,0,0,0,1|2,0,0]=3 1616 B11R1.86 CC(C)Sc1ccncc1F 62a_100000047030_100000210206 [0,0,0,0,0,1|2,0,0]=3 1617 B11R1.86 CC(C)Sc1ccncc1F 62a_100000210206_100000047030 [0,0,0,0,0,1|2,0,0]=3 1618 B11R1.86 CC(C)Sc1ccncc1N 62a_100000210206_100000756074 [0,0,0,0,0,1|2,0,0]=3 1619 B11R1.86 CC(C)Sc1ccncc1N 62a_100000756074_100000210206 [0,0,0,0,0,1|2,0,0]=3 1620 B11R1.86 CC(C)Sc1ccncc1O 62a_100000210206_100009817591 [0,0,0,0,0,1|1,0,0]=2 1621 B11R1.86 CC(C)Sc1ccncc1O 62a_100009817591_100000210206 [0,0,0,0,0,1|1,0,0]=2 1622 B11R1.86 CC(C)Sc1cnccc1Br 62a_100000210206_100010138639 [0,0,0,0,0,1|2,0,0]=3 1623 B11R1.86 CC(C)Sc1cnccc1Br 62a_100010138639_100000210206 [0,0,0,0,0,1|2,0,0]=3 1624 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100000210206_100009995489 [0,0,0,0,0,1|2,0,0]=3 1625 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100009995489_100000210206 [0,0,0,0,0,1|2,0,0]=3 1626 B11R1.86 CC(C)Sc1cnccc1F 62a_100000210206_100009820683 [0,0,0,0,0,1|2,0,0]=3 1627 B11R1.86 CC(C)Sc1cnccc1F 62a_100009820683_100000210206 [0,0,0,0,0,1|2,0,0]=3 1628 B11R1.86 CC(C)Sc1cnccc1N 62a_100000047001_100000210206 [0,0,0,0,0,1|2,0,0]=3 1629 B11R1.86 CC(C)Sc1cnccc1N 62a_100000210206_100000047001 [0,0,0,0,0,1|2,0,0]=3 1630 B11R1.86 CC(C)Sc1cncnc1Br 62a_100000210206_200012461658 [0,0,0,0,0,1|3,0,0]=4 1631 B11R1.86 CC(C)Sc1cncnc1Br 62a_200012461658_100000210206 [0,0,0,0,0,1|3,0,0]=4 1632 B11R1.86 CC(C)Sc1cncnc1Cl 62a_100000210206_100000758962 [0,0,0,0,0,1|3,0,0]=4 1633 B11R1.86 CC(C)Sc1cncnc1Cl 62a_100000758962_100000210206 [0,0,0,0,0,1|3,0,0]=4 1634 B11R1.86 CC(C)Sc1cncnc1N 62a_100000210206_100011996079 [0,0,0,0,0,1|3,0,0]=4 1635 B11R1.86 CC(C)Sc1cncnc1N 62a_100011996079_100000210206 [0,0,0,0,0,1|3,0,0]=4 1636 B11R1.86 CC(C)Sc1cncnc1O 62a_100000210206_100000751107 [0,0,0,0,0,1|2,0,0]=3 1637 B11R1.86 CC(C)Sc1cncnc1O 62a_100000751107_100000210206 [0,0,0,0,0,1|2,0,0]=3 1638 B11R1.86 CC(C)Sc1cnncc1N 62a_100000210206_100009829405 [0,0,0,0,0,1|3,0,0]=4 1639 B11R1.86 CC(C)Sc1cnncc1N 62a_100009829405_100000210206 [0,0,0,0,0,1|3,0,0]=4 1640 B11R1.86 CC(C)Sc1ncc[nH]c1=O 62a_100000210206_100000763361 [0,0,0,0,0,1|2,0,1]=4 1641 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [0,0,0,0,0,1|2,0,0]=3 1642 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [0,0,0,0,0,1|2,0,0]=3 1643 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [0,0,0,0,0,1|2,0,0]=3 1644 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [0,0,0,0,0,1|2,0,0]=3 1645 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [0,0,0,0,0,1|2,0,0]=3 1646 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [0,0,0,0,0,1|2,0,0]=3 1647 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [0,0,0,0,0,1|2,0,0]=3 1648 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [0,0,0,0,0,1|2,0,0]=3 1649 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [0,0,0,0,0,1|1,0,0]=2 1650 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [0,0,0,0,0,1|1,0,0]=2 1651 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [0,0,0,0,0,1|3,0,0]=4 1652 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [0,0,0,0,0,1|3,0,0]=4 1653 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [0,0,0,0,0,1|3,0,0]=4 1654 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [0,0,0,0,0,1|3,0,0]=4 1655 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [0,0,0,0,0,1|3,0,0]=4 1656 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [0,0,0,0,0,1|3,0,0]=4 1657 B11R1.86 CC(C)Sc1ncncc1F 62a_100000069762_100000210206 [0,0,0,0,0,1|3,0,0]=4 1658 B11R1.86 CC(C)Sc1ncncc1F 62a_100000210206_100000069762 [0,0,0,0,0,1|3,0,0]=4 1659 B11R1.86 CC(C)Sc1ncncc1N 62a_100000210206_100000709731 [0,0,0,0,0,1|3,0,0]=4 1660 B11R1.86 CC(C)Sc1ncncc1N 62a_100000709731_100000210206 [0,0,0,0,0,1|3,0,0]=4 1661 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,0,0,0,0,1|2,0,0]=3 1662 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,0,0,0,0,1|2,0,0]=3 1663 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,0,0,0,0,1|2,0,0]=3 1664 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,0,0,0,0,1|2,0,0]=3 1665 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,0,0,0,0,1|2,0,0]=3 1666 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,0,0,0,0,1|2,0,0]=3 1667 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,0,0,0,0,1|2,0,0]=3 1668 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,0,0,0,0,1|2,0,0]=3 1669 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,0,0,0,0,1|2,0,0]=3 1670 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,0,0,0,0,1|2,0,0]=3 1671 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,0,0,0,0,1|2,0,0]=3 1672 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,0,0,0,0,1|2,0,0]=3 1673 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,0,0,0,0,1|2,0,0]=3 1674 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,0,0,0,0,1|2,0,0]=3 1675 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,0,0,0,0,1|2,0,0]=3 1676 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,0,0,0,0,1|2,0,0]=3 1677 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,0,0,0,0,1|2,0,0]=3 1678 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,0,0,0,0,1|2,0,0]=3 1679 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,0,0,0,0,1|2,0,0]=3 1680 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,0,0,0,0,1|1,0,0]=2 1681 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,0,0,0,0,1|1,0,0]=2 1682 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,0,0,0,0,1|1,0,0]=2 1683 B11R1.86 CN(C)Cc1cccnc1Br 2230a_100102631434_100010140945 [0,0,0,0,0,1|3,0,0]=4 1684 B11R1.86 CN(C)Cc1cccnc1Br 269982a_100102631434_100010140945 [0,0,0,0,0,1|3,0,0]=4 1685 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_100102631434_100000045678 [0,0,0,0,0,1|3,0,0]=4 1686 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_103496529121_200000210301 [0,0,0,0,0,1|3,0,0]=4 1687 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_100102631434_100000045678 [0,0,0,0,0,1|3,0,0]=4 1688 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_103496529121_200000210301 [0,0,0,0,0,1|3,0,0]=4 1689 B11R1.86 CN(C)Cc1cccnc1F 2230a_100102631434_100000099810 [0,0,0,0,0,1|3,0,0]=4 1690 B11R1.86 CN(C)Cc1cccnc1F 269982a_100102631434_100000099810 [0,0,0,0,0,1|3,0,0]=4 1691 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [0,0,0,0,0,1|2,0,0]=3 1692 B11R1.86 CN(C)Cc1ccncc1Br 270004a_100102631434_100000755692 [0,0,0,0,0,1|3,0,0]=4 1693 B11R1.86 CN(C)Cc1ccncc1Cl 2230a_100102631434_100000763264 [0,0,0,0,0,1|3,0,0]=4 1694 B11R1.86 CN(C)Cc1ccncc1Cl 269982a_100102631434_100000763264 [0,0,0,0,0,1|3,0,0]=4 1695 B11R1.86 CN(C)Cc1ccncc1Cl 270004a_100102631434_100011934409 [0,0,0,0,0,1|3,0,0]=4 1696 B11R1.86 CN(C)Cc1cnccc1Br 270004a_100102631434_100009816821 [0,0,0,0,0,1|3,0,0]=4 1697 B11R1.86 CN(C)Cc1cnccc1Cl 270004a_100102631434_100000050567 [0,0,0,0,0,1|3,0,0]=4 1698 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [0,0,0,0,0,1|3,0,0]=4 1699 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [0,0,0,0,0,1|3,0,0]=4 1700 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [0,0,0,0,0,1|3,0,0]=4 1701 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [0,0,0,0,0,1|3,0,0]=4 1702 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [0,0,0,0,0,1|3,0,0]=4 1703 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [0,0,0,0,0,1|3,0,0]=4 1704 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [0,0,0,0,0,1|3,0,0]=4 1705 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [0,0,0,0,0,1|3,0,0]=4 1706 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,0,0,0,0,1|2,0,0]=3 1707 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,0,0,0,0,1|2,0,0]=3 1708 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,0,0,0,0,1|2,0,0]=3 1709 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,0,0,0,0,1|2,0,0]=3 1710 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,0,0,0,0,1|2,0,0]=3 1711 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,0,0,0,0,1|2,0,0]=3 1712 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,0,0,0,0,1|2,0,0]=3 1713 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,0,0,0,0,1|1,0,0]=2 1714 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,0,0,0,0,1|1,0,0]=2 1715 B11R1.86 CN([13CH3])Cc1cccnc1Cl 2230a_103496529121_200025704644 [0,0,0,0,0,1|3,0,0]=4 1716 B11R1.86 CN([13CH3])Cc1cccnc1Cl 269982a_103496529121_200025704644 [0,0,0,0,0,1|3,0,0]=4 1717 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,1|2,0,1]=4 1718 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,0,0,0,0,1|2,0,0]=3 1719 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,0,0,0,0,1|2,0,0]=3 1720 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,0,0,0,0,1|2,0,0]=3 1721 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,0,0,0,0,1|2,0,0]=3 1722 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,0,0,0,0,1|2,0,0]=3 1723 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,0,0,0,0,1|2,0,0]=3 1724 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,0,0,0,0,1|2,0,0]=3 1725 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,0,0,0,0,1|1,0,0]=2 1726 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,0,0,0,0,1|1,0,0]=2 1727 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,0,0,0,0,1|1,0,0]=2 1728 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,0,0,0,0,1|1,0,0]=2 1729 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,0,0,0,0,1|1,0,0]=2 1730 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [0,0,0,0,0,1|3,0,0]=4 1731 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [0,0,0,0,0,1|3,0,0]=4 1732 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [0,0,0,0,0,1|3,0,0]=4 1733 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,0,0,0,0,1|2,0,0]=3 1734 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,0,0,0,0,1|2,0,0]=3 1735 B11R1.86 Cc1ccncc1CN(C)C 2230a_100102631434_100000690890 [0,0,0,0,0,1|3,0,0]=4 1736 B11R1.86 Cc1ccncc1CN(C)C 269982a_100102631434_100000690890 [0,0,0,0,0,1|3,0,0]=4 1737 B11R1.86 Cc1ccncc1CN(C)C 270004a_100102631434_100000685662 [0,0,0,0,0,1|3,0,0]=4 1738 B11R1.86 Cc1ccncc1OC(C)C 34a_100011997053_100000210206 [0,0,0,0,0,1|2,0,0]=3 1739 B11R1.86 Cc1ccncc1OC(C)C 7a_100011997053_100000210206 [0,0,0,0,0,1|2,0,0]=3 1740 B11R1.86 Cc1ccncc1SC(C)C 62a_100000210206_100000761580 [0,0,0,0,0,1|2,0,0]=3 1741 B11R1.86 Cc1ccncc1SC(C)C 62a_100000761580_100000210206 [0,0,0,0,0,1|2,0,0]=3 1742 B11R1.86 Cc1ccnnc1NC(C)C 27a_100138425928_100000089043 [0,0,0,0,0,1|3,0,0]=4 1743 B11R1.86 Cc1ccnnc1SC(C)C 62a_100000210206_100000089043 [0,0,0,0,0,1|3,0,0]=4 1744 B11R1.86 Cc1cnccc1CN(C)C 2230a_100015187836_200000210301 [0,0,0,0,0,1|3,0,0]=4 1745 B11R1.86 Cc1cnccc1CN(C)C 2230a_100102631434_100020672808 [0,0,0,0,0,1|3,0,0]=4 1746 B11R1.86 Cc1cnccc1CN(C)C 269982a_100015187836_200000210301 [0,0,0,0,0,1|3,0,0]=4 1747 B11R1.86 Cc1cnccc1CN(C)C 269982a_100102631434_100020672808 [0,0,0,0,0,1|3,0,0]=4 1748 B11R1.86 Cc1cnccc1CN(C)[13CH3] 2230a_100015187836_200025704644 [0,0,0,0,0,1|3,0,0]=4 1749 B11R1.86 Cc1cnccc1CN(C)[13CH3] 269982a_100015187836_200025704644 [0,0,0,0,0,1|3,0,0]=4 1750 B11R1.86 Cc1cnccc1NC(C)C 27a_100138425928_100000765111 [0,0,0,0,0,1|2,0,0]=3 1751 B11R1.86 Cc1cnccc1OC(C)C 34a_100000694293_100000210206 [0,0,0,0,0,1|2,0,0]=3 1752 B11R1.86 Cc1cnccc1SC(C)C 62a_100000210206_100000765111 [0,0,0,0,0,1|2,0,0]=3 1753 B11R1.86 Cc1cnccc1SC(C)C 62a_100000765111_100000210206 [0,0,0,0,0,1|2,0,0]=3 1754 B11R1.86 Cc1cncnc1NC(C)C 27a_100138425928_100011998708 [0,0,0,0,0,1|3,0,0]=4 1755 B11R1.86 Cc1cncnc1SC(C)C 62a_100000210206_100011998708 [0,0,0,0,0,1|3,0,0]=4 1756 B11R1.86 Cc1cncnc1SC(C)C 62a_100011998708_100000210206 [0,0,0,0,0,1|3,0,0]=4 1757 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [0,0,0,0,0,1|3,0,0]=4 1758 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [0,0,0,0,0,1|3,0,0]=4 1759 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [0,0,0,0,0,1|3,0,0]=4 1760 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [0,0,0,0,0,1|3,0,0]=4 1761 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [0,0,0,0,0,1|3,0,0]=4 1762 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [0,0,0,0,0,1|3,0,0]=4 1763 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [0,0,0,0,0,1|3,0,0]=4 1764 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [0,0,0,0,0,1|2,0,0]=3 1765 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [0,0,0,0,0,1|2,0,0]=3 1766 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [0,0,0,0,0,1|2,0,0]=3 1767 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [0,0,0,0,0,1|2,0,0]=3 1768 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [0,0,0,0,0,1|3,0,0]=4 1769 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [0,0,0,0,0,1|3,0,0]=4 1770 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,0,0,0,0,1|3,0,0]=4 1771 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,0,0,0,0,1|3,0,0]=4 1772 B11R1.86 Cc1ncncc1SC(C)C 62a_100000210206_100009819671 [0,0,0,0,0,1|3,0,0]=4 1773 B11R1.86 Cc1ncncc1SC(C)C 62a_100009819671_100000210206 [0,0,0,0,0,1|3,0,0]=4 1774 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,0,0,0,0,1|2,0,1]=4 1775 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,0,0,0,1|2,0,1]=4 1776 B11R1.86 Oc1ccccc1OC(F)F 271570a_203496583355_100000742724 [0,0,0,0,0,1|2,0,0]=3 1777 B11R1.86 Oc1ncccc1OC(F)F 271570a_203496583355_100000697348 [0,0,0,0,0,1|3,0,0]=4 1778 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,0,1|2,0,1]=4 1779 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,0,1|2,0,1]=4 1780 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,0,1|2,0,1]=4 1781 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,0,1|2,0,1]=4 1782 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,0,1|1,0,1]=3 1783 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|0,0,2]=4 1784 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [1,0,1,0,0,0|0,0,1]=3 1785 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [1,0,1,0,0,0|1,0,1]=4 1786 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,2]=4 1787 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 1788 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 1789 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 1790 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1791 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 1792 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 1793 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 1794 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 1795 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 1796 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 1797 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1798 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 1799 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 1800 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 1801 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 1802 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 1803 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 1804 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1805 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 1806 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 1807 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 1808 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 1809 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 1810 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 1811 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1812 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 1813 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 1814 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 1815 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [2,0,0,0,0,0|1,0,0]=3 1816 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [2,0,0,0,0,0|0,0,0]=2 1817 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|1,0,0]=3 1818 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [2,0,0,0,0,0|1,0,0]=3 1819 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [2,0,0,0,0,0|2,0,0]=4 1820 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [2,0,0,0,0,0|1,0,0]=3 1821 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [2,0,0,0,0,0|2,0,0]=4 1822 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|1,0,0]=3 1823 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [2,0,0,0,0,0|2,0,0]=4 1824 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [2,0,0,0,0,0|2,0,0]=4 1825 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [2,0,0,0,0,0|1,0,0]=3 1826 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [2,0,0,0,0,0|2,0,0]=4 1827 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [2,0,0,0,0,0|2,0,0]=4 1828 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [2,0,0,0,0,0|2,0,0]=4 1829 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [2,0,0,0,0,0|2,0,0]=4 1830 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [2,0,0,0,0,0|2,0,0]=4 1831 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [2,0,0,0,0,0|2,0,0]=4 1832 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [2,0,0,0,0,0|2,0,0]=4 1833 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [2,0,0,0,0,0|1,0,0]=3 1834 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [2,0,0,0,0,0|1,0,0]=3 1835 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [2,0,0,0,0,0|1,0,0]=3 1836 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [2,0,0,0,0,0|1,0,0]=3 1837 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [2,0,0,0,0,0|2,0,0]=4 1838 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [2,0,0,0,0,0|2,0,0]=4 1839 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [2,0,0,0,0,0|2,0,0]=4 1840 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [2,0,0,0,0,0|2,0,0]=4 1841 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [2,0,0,0,0,0|2,0,0]=4 1842 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [2,0,0,0,0,0|2,0,0]=4 1843 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [2,0,0,0,0,0|2,0,0]=4 1844 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [2,0,0,0,0,0|2,0,0]=4 1845 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [2,0,0,0,0,0|2,0,0]=4 1846 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [2,0,0,0,0,0|2,0,0]=4 1847 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [2,0,0,0,0,0|2,0,0]=4 1848 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [2,0,0,0,0,0|2,0,0]=4 1849 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [2,0,0,0,0,0|2,0,0]=4 1850 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [2,0,0,0,0,0|2,0,0]=4 1851 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [2,0,0,0,0,0|2,0,0]=4 1852 B10R0.4 CC=CC=CC=NNC(C)C 4a_100000741168_100000691131 [0,1,1,0,0,0|2,0,0]=4 1853 B10R0.6 C/C=C/C=CC(=O)CC(C)C 1458a_100000185730_100000210624 [0,1,1,0,0,0|1,0,1]=4 1854 B10R0.6 C/C=C/C=CC(=O)NC(C)C 11a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 1855 B10R0.6 C/C=C/C=CC(=O)NC(C)C 1626a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 1856 B10R0.6 C/C=C/C=CC(=O)NC(C)C 240690a_100138425928_100000185730 [0,1,1,0,0,0|2,0,0]=4 1857 B10R0.78 C/C=C/CC(=O)C=CC(C)C 1458a_100016268746_100102629194 [0,1,1,0,0,0|1,0,1]=4 1858 B10R0.78 CC=CCC(=O)C=CC(C)C 1458a_100016268746_100000070051 [0,1,1,0,0,0|1,0,1]=4 1859 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,1,1,0,0,0|0,0,2]=4 1860 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,1,1,0,0,0|0,0,2]=4 1861 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,1,1,0,0,0|0,0,2]=4 1862 B10R0.18 C=CC=CC(=O)NC(C)CC 1626a_100000209981_100016291481 [0,1,1,0,0,0|1,0,1]=4 1863 B10R0.18 C=CC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016291481 [0,1,1,0,0,0|1,0,1]=4 1864 B10R0.28 C=CC=CC(=O)NC(C)(C)C 1626a_100000715429_100016291481 [0,1,1,0,0,0|1,0,1]=4 1865 B10R0.81 C=CC=CC(=O)N(C)C(C)C 1626a_200000211004_100016291481 [0,1,1,0,0,0|1,0,1]=4 1866 B10R0.30 C=CCN(C(=O)C=C)C(C)C 1626a_100000742772_100000185746 [0,1,1,0,0,0|1,0,1]=4 1867 B10R0.30 C=CCN(C(=O)C=C)C(C)C 240690a_100000742772_200121576911 [0,1,1,0,0,0|1,0,1]=4 1868 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|0,0,2]=4 1869 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|0,0,2]=4 1870 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|0,0,2]=4 1871 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|0,0,2]=4 1872 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|0,0,2]=4 1873 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|0,0,2]=4 1874 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|0,0,2]=4 1875 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,1]=4 1876 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|1,0,1]=4 1877 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,1]=4 1878 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,1]=4 1879 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,1]=4 1880 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,1]=4 1881 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,1]=4 1882 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|0,0,0]=2 1883 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,1,0,0,0,0|1,0,0]=3 1884 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,1,0,0,0,0|1,0,0]=3 1885 B10R1.13 CC(C)c1cnc(nc1)O 271570a_203496583355_100000102307 [1,1,0,0,0,0|2,0,0]=4 1886 B10R1.13 CC(C)c1ncc(cn1)O 271570a_203496583355_200009814916 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|1,0,0]=3 1889 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,1,0,0,0,0|1,0,0]=3 1892 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,1,0,0,0,0|1,0,0]=3 1894 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,1,0,0,0,0|1,0,0]=3 1895 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,1,0,0,0,0|1,0,0]=3 1897 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,1,0,0,0,0|1,0,0]=3 1898 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,1,0,0,0,0|1,0,0]=3 1900 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,1,0,0,0,0|1,0,0]=3 1903 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,1,0,0,0,0|1,0,0]=3 1904 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,1,0,0,0,0|1,0,0]=3 1905 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,0]=3 1906 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [1,1,0,0,0,0|2,0,0]=4 1907 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [1,1,0,0,0,0|2,0,0]=4 1908 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [1,1,0,0,0,0|2,0,0]=4 1909 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,1,0,0,0,0|1,0,0]=3 1910 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,1,0,0,0,0|1,0,0]=3 1911 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,1,0,0,0,0|1,0,0]=3 1912 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,1,0,0,0,0|1,0,0]=3 1913 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,1,0,0,0,0|1,0,0]=3 1914 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,1,0,0,0,0|1,0,0]=3 1915 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,1,0,0,0,0|1,0,0]=3 1916 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,1,0,0,0,0|1,0,0]=3 1917 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,1,0,0,0,0|1,0,0]=3 1918 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,1,0,0,0,0|1,0,0]=3 1919 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,1,0,0,0,0|1,0,0]=3 1920 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,1,0,0,0,0|1,0,0]=3 1921 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,1,0,0,0,0|1,0,0]=3 1922 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,0]=3 1923 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,0]=3 1925 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,0]=3 1926 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,1,0,0,0,0|2,0,0]=4 1927 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|1,0,1]=4 1928 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|1,0,0]=3 1929 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|1,0,0]=3 1930 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|1,0,0]=3 1931 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|1,0,0]=3 1932 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|1,0,0]=3 1934 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,1,0,0,0,0|2,0,0]=4 1935 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,1]=4 1936 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,1]=4 1937 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,1]=4 1938 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,1]=4 1939 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,1]=4 1940 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|1,0,0]=3 1941 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,1,0,0,0,0|1,0,0]=3 1942 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,1,0,0,0,0|1,0,0]=3 1943 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|0,0,0]=2 1945 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|0,0,0]=2 1946 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,1,0,0,0,0|2,0,0]=4 1947 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,1,0,0,0,0|2,0,0]=4 1948 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 1949 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|1,0,0]=3 1950 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 1951 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|1,0,0]=3 1952 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 1953 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|1,0,0]=3 1954 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|1,0,0]=3 1955 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 1956 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 1957 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|1,0,0]=3 1958 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|1,0,0]=3 1959 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|1,0,0]=3 1960 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,1]=4 1961 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1962 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1963 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 1964 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|0,0,0]=2 1965 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|0,0,0]=2 1966 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|0,0,0]=2 1967 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|0,0,0]=2 1968 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|1,0,0]=3 1969 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|1,0,0]=3 1970 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,1,0,0,0,0|1,0,0]=3 1971 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,1,0,0,0,0|1,0,0]=3 1972 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [1,1,0,0,0,0|2,0,0]=4 1973 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,1,0,0,0,0|1,0,0]=3 1974 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [1,1,0,0,0,0|2,0,0]=4 1976 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,1,0,0,0,0|2,0,0]=4 1977 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,1,0,0,0,0|2,0,0]=4 1978 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [1,1,0,0,0,0|2,0,0]=4 1980 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [1,1,0,0,0,0|2,0,0]=4 1981 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|0,0,0]=2 1983 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|0,0,0]=2 1985 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|0,0,0]=2 1986 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|0,0,0]=2 1987 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|0,0,0]=2 1988 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|0,0,0]=2 1989 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,1,0,0,0,0|2,0,0]=4 1991 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|0,0,0]=2 1992 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1993 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|0,0,0]=2 1994 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|0,0,0]=2 1995 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,1]=4 1996 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|0,0,2]=4 1997 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|0,0,2]=4 1998 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|0,0,2]=4 1999 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|0,0,2]=4 2000 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|0,0,2]=4 2001 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|0,0,2]=4 2002 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|0,0,2]=4 2003 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|0,0,2]=4 2004 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|1,0,1]=4 2005 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|1,0,1]=4 2006 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|1,0,1]=4 2007 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|1,0,1]=4 2008 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|1,0,1]=4 2009 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|1,0,1]=4 2010 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|1,0,1]=4 2011 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [1,1,0,0,0,0|1,0,0]=3 2012 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,1,0,0,0,0|0,0,0]=2 2013 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [1,1,0,0,0,0|1,0,0]=3 2015 B10R1.113 CC(C)c1ccnc(n1)O 271570a_203496583355_100011935126 [1,1,0,0,0,0|2,0,0]=4 2016 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [1,1,0,0,0,0|1,0,0]=3 2017 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [1,1,0,0,0,0|2,0,0]=4 2018 B10R1.113 CC(C)c1nccc(n1)O 271570a_203496583355_100000752938 [1,1,0,0,0,0|2,0,0]=4 2019 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,0]=3 2020 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|1,0,0]=3 2023 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [1,1,0,0,0,0|2,0,0]=4 2024 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,1,0,0,0,0|2,0,0]=4 2025 B10R1.113 CN(C)c1cc(ccn1)F 27a_100102631434_100000764206 [1,1,0,0,0,0|2,0,0]=4 2026 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [1,1,0,0,0,0|2,0,0]=4 2027 B10R1.113 CN(C)c1cc[nH]c(=O)c1 27a_100102631434_100000061649 [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [1,1,0,0,0,0|1,0,0]=3 2029 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [1,1,0,0,0,0|1,0,0]=3 2030 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [1,1,0,0,0,0|1,0,0]=3 2031 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [1,1,0,0,0,0|1,0,0]=3 2032 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [1,1,0,0,0,0|1,0,0]=3 2033 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [1,1,0,0,0,0|1,0,0]=3 2034 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [1,1,0,0,0,0|1,0,0]=3 2036 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [1,1,0,0,0,0|1,0,0]=3 2038 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [1,1,0,0,0,0|1,0,0]=3 2039 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [1,1,0,0,0,0|1,0,0]=3 2040 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 2041 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 2042 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,1,0,0,0,0|1,0,0]=3 2043 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 2044 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [1,1,0,0,0,0|2,0,0]=4 2045 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [1,1,0,0,0,0|2,0,0]=4 2046 B10R1.113 CN(C)c1ccnc(c1)F 27a_100102631434_100009816116 [1,1,0,0,0,0|2,0,0]=4 2047 B10R1.113 CN(C)c1ccnc(c1)O 271570a_203496583355_100000766659 [1,1,0,0,0,0|2,0,0]=4 2048 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [1,1,0,0,0,0|2,0,0]=4 2049 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [1,1,0,0,0,0|1,0,0]=3 2052 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [1,1,0,0,0,0|1,0,0]=3 2053 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [1,1,0,0,0,0|1,0,0]=3 2054 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [1,1,0,0,0,0|1,0,0]=3 2056 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [1,1,0,0,0,0|1,0,0]=3 2057 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [1,1,0,0,0,0|1,0,0]=3 2058 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [1,1,0,0,0,0|1,0,0]=3 2059 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [1,1,0,0,0,0|1,0,0]=3 2060 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [1,1,0,0,0,0|1,0,0]=3 2061 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 2062 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 2063 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 2064 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|2,0,0]=4 2065 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [1,1,0,0,0,0|2,0,0]=4 2066 B10R1.113 Cc1cc(ccn1)N(C)C 27a_100102631434_100000758586 [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|1,0,1]=4 2068 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,1,0,0,0,0|1,0,0]=3 2069 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,1,0,0,0,0|1,0,0]=3 2070 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,1,0,0,0,0|1,0,0]=3 2071 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,1,0,0,0,0|1,0,0]=3 2072 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,1,0,0,0,0|1,0,0]=3 2073 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,1,0,0,0,0|1,0,0]=3 2074 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,1,0,0,0,0|2,0,0]=4 2075 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|1,0,1]=4 2076 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|1,0,1]=4 2077 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|1,0,1]=4 2078 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|1,0,1]=4 2079 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|1,0,1]=4 2080 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,1,0,0,0,0|0,0,2]=4 2081 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|0,0,2]=4 2082 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,1,0,0,0,0|0,0,2]=4 2083 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,1,0,0,0,0|0,0,2]=4 2084 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|0,0,2]=4 2085 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|0,0,2]=4 2086 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,1,0,0,0,0|0,0,0]=2 2087 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|0,0,0]=2 2088 B10R1.2 CNc1cccc(c1Br)C 34a_100000684715_200000210301 [1,1,0,0,0,0|2,0,0]=4 2089 B10R1.2 CNc1cccc(c1Br)Cl 34a_100000687072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2090 B10R1.2 CNc1cccc(c1Br)F 34a_100011934729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2091 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2092 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2093 B10R1.2 CNc1cccc(c1C)Br 34a_100000750434_200000210301 [1,1,0,0,0,0|2,0,0]=4 2094 B10R1.2 CNc1cccc(c1C)C 2230a_100000210026_200000210301 [1,1,0,0,0,0|2,0,0]=4 2095 B10R1.2 CNc1cccc(c1C)C 34a_100000210026_200000210301 [1,1,0,0,0,0|2,0,0]=4 2096 B10R1.2 CNc1cccc(c1C)C 7a_100000210026_200000210301 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.2 CNc1cccc(c1C)Cl 2230a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.2 CNc1cccc(c1C)Cl 34a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2099 B10R1.2 CNc1cccc(c1C)Cl 7a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2100 B10R1.2 CNc1cccc(c1C)F 34a_100000745574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2101 B10R1.2 CNc1cccc(c1C)F 7a_100000745574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2102 B10R1.2 CNc1cccc(c1C)I 34a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2103 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2104 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2105 B10R1.2 CNc1cccc(c1Cl)Br 34a_100000687075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2106 B10R1.2 CNc1cccc(c1Cl)C 34a_100000765562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2107 B10R1.2 CNc1cccc(c1Cl)C 7a_100000765562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2108 B10R1.2 CNc1cccc(c1Cl)Cl 34a_100000185733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2109 B10R1.2 CNc1cccc(c1Cl)F 34a_100000692321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.2 CNc1cccc(c1F)Br 2230a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.2 CNc1cccc(c1F)Br 34a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.2 CNc1cccc(c1F)C 2230a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2115 B10R1.2 CNc1cccc(c1F)C 34a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2116 B10R1.2 CNc1cccc(c1F)C 7a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2117 B10R1.2 CNc1cccc(c1F)Cl 2230a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.2 CNc1cccc(c1F)Cl 34a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.2 CNc1cccc(c1F)F 34a_100000743855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.2 CNc1cccc(c1I)Br 34a_100020590159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2121 B10R1.2 CNc1cccc(c1I)C 34a_100000761888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.2 CNc1cccc(c1I)Cl 34a_100000049713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.2 CNc1cccc(c1I)F 34a_100000690935_200000210301 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,1,0,0,0,0|2,0,0]=4 2125 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,1,0,0,0,0|1,0,0]=3 2126 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2127 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,1,0,0,0,0|1,0,0]=3 2128 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,1,0,0,0,0|1,0,0]=3 2129 B10R1.2 COc1cccc(c1Br)Br 34a_100010187966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.2 COc1cccc(c1Br)Br 7a_100010187966_200000210301 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.2 COc1cccc(c1Br)C 34a_100000686692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.2 COc1cccc(c1Br)C 7a_100000686692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2133 B10R1.2 COc1cccc(c1Br)Cl 34a_100012348804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2134 B10R1.2 COc1cccc(c1Br)Cl 7a_100012348804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2135 B10R1.2 COc1cccc(c1Br)F 34a_100009820682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2136 B10R1.2 COc1cccc(c1Br)F 7a_100009820682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B10R1.2 COc1cccc(c1Br)I 34a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2138 B10R1.2 COc1cccc(c1Br)I 7a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2139 B10R1.2 COc1cccc(c1Br)N 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2140 B10R1.2 COc1cccc(c1Br)N 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2141 B10R1.2 COc1cccc(c1C)Br 34a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 2142 B10R1.2 COc1cccc(c1C)Br 7a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B10R1.2 COc1cccc(c1C)C 34a_100000185855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B10R1.2 COc1cccc(c1C)C 7a_100000185855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2145 B10R1.2 COc1cccc(c1C)Cl 34a_100011265684_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B10R1.2 COc1cccc(c1C)Cl 7a_100011265684_200000210301 [1,1,0,0,0,0|2,0,0]=4 2147 B10R1.2 COc1cccc(c1C)F 34a_100011217231_200000210301 [1,1,0,0,0,0|2,0,0]=4 2148 B10R1.2 COc1cccc(c1C)F 7a_100011217231_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B10R1.2 COc1cccc(c1C)N 34a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.2 COc1cccc(c1C)N 7a_100011216573_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.2 COc1cccc(c1Cl)Br 34a_100010187913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.2 COc1cccc(c1Cl)Br 7a_100010187913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B10R1.2 COc1cccc(c1Cl)C 34a_100000695629_200000210301 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.2 COc1cccc(c1Cl)C 7a_100000695629_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.2 COc1cccc(c1Cl)Cl 34a_100000211076_200000210301 [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.2 COc1cccc(c1Cl)Cl 7a_100000211076_200000210301 [1,1,0,0,0,0|2,0,0]=4 2158 B10R1.2 COc1cccc(c1Cl)F 34a_100000087408_200000210301 [1,1,0,0,0,0|2,0,0]=4 2159 B10R1.2 COc1cccc(c1Cl)F 7a_100000087408_200000210301 [1,1,0,0,0,0|2,0,0]=4 2160 B10R1.2 COc1cccc(c1Cl)I 34a_100000049636_200000210301 [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.2 COc1cccc(c1Cl)I 7a_100000049636_200000210301 [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.2 COc1cccc(c1Cl)N 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.2 COc1cccc(c1Cl)N 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2164 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,1,0,0,0,0|2,0,0]=4 2165 B10R1.2 COc1cccc(c1F)Br 34a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B10R1.2 COc1cccc(c1F)Br 7a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2167 B10R1.2 COc1cccc(c1F)C 34a_100000751311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.2 COc1cccc(c1F)C 7a_100000751311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2169 B10R1.2 COc1cccc(c1F)Cl 34a_100000687438_200000210301 [1,1,0,0,0,0|2,0,0]=4 2170 B10R1.2 COc1cccc(c1F)Cl 7a_100000687438_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B10R1.2 COc1cccc(c1F)F 34a_100000751161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2172 B10R1.2 COc1cccc(c1F)F 7a_100000751161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2173 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,1,0,0,0,0|2,0,0]=4 2174 B10R1.2 COc1cccc(c1I)Br 34a_100010187912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B10R1.2 COc1cccc(c1I)Br 7a_100010187912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2176 B10R1.2 COc1cccc(c1I)C 34a_100010083724_200000210301 [1,1,0,0,0,0|2,0,0]=4 2177 B10R1.2 COc1cccc(c1I)C 7a_100010083724_200000210301 [1,1,0,0,0,0|2,0,0]=4 2178 B10R1.2 COc1cccc(c1I)Cl 34a_100000050174_200000210301 [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.2 COc1cccc(c1I)Cl 7a_100000050174_200000210301 [1,1,0,0,0,0|2,0,0]=4 2180 B10R1.2 COc1cccc(c1I)F 34a_100000690913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.2 COc1cccc(c1I)F 7a_100000690913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.2 COc1cccc(c1N)Br 34a_100011934926_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.2 COc1cccc(c1N)Br 7a_100011934926_200000210301 [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.2 COc1cccc(c1N)C 34a_100000743429_200000210301 [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.2 COc1cccc(c1N)C 7a_100000743429_200000210301 [1,1,0,0,0,0|2,0,0]=4 2186 B10R1.2 COc1cccc(c1N)Cl 34a_100012022510_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B10R1.2 COc1cccc(c1N)Cl 7a_100012022510_200000210301 [1,1,0,0,0,0|2,0,0]=4 2188 B10R1.2 COc1cccc(c1N)F 34a_100020591140_200000210301 [1,1,0,0,0,0|2,0,0]=4 2189 B10R1.2 COc1cccc(c1N)F 7a_100020591140_200000210301 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.2 COc1cccc(c1N)I 34a_200000049512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.2 COc1cccc(c1N)I 7a_200000049512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.2 COc1cccc(c1N)N 34a_100000033209_200000210301 [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,1,0,0,0,0|1,0,0]=3 2195 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,1,0,0,0,0|1,0,0]=3 2196 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|1,0,0]=3 2197 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|1,0,0]=3 2198 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|1,0,0]=3 2199 B10R1.2 COc1nccc(c1O)C 271570a_203496583355_100012353928 [1,1,0,0,0,0|2,0,0]=4 2200 B10R1.2 COc1nccc(c1O)N 271570a_203496583355_100010243811 [1,1,0,0,0,0|2,0,0]=4 2201 B10R1.2 CSc1cccc(c1Br)Br 62a_100010175083_200000210301 [1,1,0,0,0,0|2,0,0]=4 2202 B10R1.2 CSc1cccc(c1Br)Br 62a_200000210301_100010175083 [1,1,0,0,0,0|2,0,0]=4 2203 B10R1.2 CSc1cccc(c1Br)C 62a_100012362457_200000210301 [1,1,0,0,0,0|2,0,0]=4 2204 B10R1.2 CSc1cccc(c1Br)C 62a_200000210301_100012362457 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.2 CSc1cccc(c1Br)Cl 62a_100014021842_200000210301 [1,1,0,0,0,0|2,0,0]=4 2206 B10R1.2 CSc1cccc(c1Br)Cl 62a_200000210301_100014021842 [1,1,0,0,0,0|2,0,0]=4 2207 B10R1.2 CSc1cccc(c1Br)F 62a_100010202630_200000210301 [1,1,0,0,0,0|2,0,0]=4 2208 B10R1.2 CSc1cccc(c1Br)F 62a_200000210301_100010202630 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2210 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.2 CSc1cccc(c1C)Br 62a_100012353703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.2 CSc1cccc(c1C)Br 62a_200000210301_100012353703 [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.2 CSc1cccc(c1C)C 62a_100011214922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.2 CSc1cccc(c1C)C 62a_200000210301_100011214922 [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.2 CSc1cccc(c1C)Cl 62a_100000726075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.2 CSc1cccc(c1C)Cl 62a_200000210301_100000726075 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.2 CSc1cccc(c1C)F 62a_100011216893_200000210301 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.2 CSc1cccc(c1C)F 62a_200000210301_100011216893 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2220 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.2 CSc1cccc(c1Cl)Br 62a_100010142854_200000210301 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.2 CSc1cccc(c1Cl)Br 62a_200000210301_100010142854 [1,1,0,0,0,0|2,0,0]=4 2225 B10R1.2 CSc1cccc(c1Cl)C 62a_200000210301_200012352035 [1,1,0,0,0,0|2,0,0]=4 2226 B10R1.2 CSc1cccc(c1Cl)C 62a_200012352035_200000210301 [1,1,0,0,0,0|2,0,0]=4 2227 B10R1.2 CSc1cccc(c1Cl)Cl 62a_100011215384_200000210301 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.2 CSc1cccc(c1Cl)Cl 62a_200000210301_100011215384 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.2 CSc1cccc(c1Cl)F 62a_200000210301_200010234923 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.2 CSc1cccc(c1Cl)F 62a_200010234923_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,1,0,0,0,0|2,0,0]=4 2232 B10R1.2 CSc1cccc(c1F)Br 62a_100000702267_200000210301 [1,1,0,0,0,0|2,0,0]=4 2233 B10R1.2 CSc1cccc(c1F)Br 62a_200000210301_100000702267 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.2 CSc1cccc(c1F)C 62a_100000717567_200000210301 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.2 CSc1cccc(c1F)C 62a_200000210301_100000717567 [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.2 CSc1cccc(c1F)Cl 62a_100011217346_200000210301 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.2 CSc1cccc(c1F)Cl 62a_200000210301_100011217346 [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.2 CSc1cccc(c1F)F 62a_100000694657_200000210301 [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.2 CSc1cccc(c1F)F 62a_200000210301_100000694657 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.2 CSc1cccc(c1F)N 62a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2241 B10R1.2 CSc1cccc(c1F)N 62a_200000210301_100011935091 [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.2 CSc1cccc(c1N)Br 62a_100010146558_200000210301 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.2 CSc1cccc(c1N)Br 62a_200000210301_100010146558 [1,1,0,0,0,0|2,0,0]=4 2246 B10R1.2 CSc1cccc(c1N)C 62a_100011834072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2247 B10R1.2 CSc1cccc(c1N)C 62a_200000210301_100011834072 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.2 CSc1cccc(c1N)Cl 62a_100010190421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2249 B10R1.2 CSc1cccc(c1N)Cl 62a_200000210301_100010190421 [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.2 CSc1cccc(c1N)F 62a_100000042321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.2 CSc1cccc(c1N)F 62a_200000210301_100000042321 [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.2 CSc1cccc(c1N)N 62a_100015191791_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,1,0,0,0,0|2,0,0]=4 2254 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,1,0,0,0,0|1,0,0]=3 2255 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,1,0,0,0,0|1,0,0]=3 2256 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,1,0,0,0,0|1,0,0]=3 2257 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,1,0,0,0,0|1,0,0]=3 2258 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,1,0,0,0,0|1,0,0]=3 2259 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,1,0,0,0,0|1,0,0]=3 2260 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,1,0,0,0,0|1,0,0]=3 2261 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,1,0,0,0,0|1,0,0]=3 2262 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|1,0,0]=3 2263 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|1,0,0]=3 2264 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|1,0,0]=3 2265 B10R1.2 CSc1ccnc(c1O)Cl 62a_200000210301_100010067911 [1,1,0,0,0,0|2,0,0]=4 2266 B10R1.2 CSc1cncc(c1O)N 62a_100000694263_200000210301 [1,1,0,0,0,0|2,0,0]=4 2267 B10R1.2 CSc1cncc(c1O)N 62a_200000210301_100000694263 [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.2 CSc1nccc(c1O)C 62a_200000210301_100000696282 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.2 CSc1nccc(c1O)F 62a_200000210301_100009867227 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.2 CSc1nccc(c1O)N 62a_200000210301_100009844647 [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.2 Cc1c(cccc1CN)O 271570a_203496583355_100000724210 [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.2 Cc1c(cccc1N[13CH3])Br 34a_100000750434_200025704644 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.2 Cc1c(cccc1N[13CH3])Cl 2230a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2275 B10R1.2 Cc1c(cccc1N[13CH3])Cl 34a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2276 B10R1.2 Cc1c(cccc1N[13CH3])Cl 7a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2277 B10R1.2 Cc1c(cccc1N[13CH3])F 34a_100000745574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2278 B10R1.2 Cc1c(cccc1N[13CH3])F 7a_100000745574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2279 B10R1.2 Cc1c(cccc1N[13CH3])I 34a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2280 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2281 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2282 B10R1.2 Cc1c(cccc1O[13CH3])Br 34a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 2283 B10R1.2 Cc1c(cccc1O[13CH3])Br 7a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 2284 B10R1.2 Cc1c(cccc1O[13CH3])Cl 34a_100011265684_200025704644 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.2 Cc1c(cccc1O[13CH3])Cl 7a_100011265684_200025704644 [1,1,0,0,0,0|2,0,0]=4 2286 B10R1.2 Cc1c(cccc1O[13CH3])F 34a_100011217231_200025704644 [1,1,0,0,0,0|2,0,0]=4 2287 B10R1.2 Cc1c(cccc1O[13CH3])F 7a_100011217231_200025704644 [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.2 Cc1c(cccc1O[13CH3])N 34a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2289 B10R1.2 Cc1c(cccc1O[13CH3])N 7a_100011216573_200025704644 [1,1,0,0,0,0|2,0,0]=4 2290 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_100012353703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2291 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_200025704644_100012353703 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_100000726075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_200025704644_100000726075 [1,1,0,0,0,0|2,0,0]=4 2294 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_100011216893_200025704644 [1,1,0,0,0,0|2,0,0]=4 2295 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_200025704644_100011216893 [1,1,0,0,0,0|2,0,0]=4 2296 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2297 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|2,0,0]=4 2298 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 2299 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|2,0,0]=4 2300 B10R1.2 Cc1cccc(c1Br)N[13CH3] 34a_100000684715_200025704644 [1,1,0,0,0,0|2,0,0]=4 2301 B10R1.2 Cc1cccc(c1Br)O[13CH3] 34a_100000686692_200025704644 [1,1,0,0,0,0|2,0,0]=4 2302 B10R1.2 Cc1cccc(c1Br)O[13CH3] 7a_100000686692_200025704644 [1,1,0,0,0,0|2,0,0]=4 2303 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_100012362457_200025704644 [1,1,0,0,0,0|2,0,0]=4 2304 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_200025704644_100012362457 [1,1,0,0,0,0|2,0,0]=4 2305 B10R1.2 Cc1cccc(c1C)N[13CH3] 2230a_100000210026_200025704644 [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.2 Cc1cccc(c1C)N[13CH3] 34a_100000210026_200025704644 [1,1,0,0,0,0|2,0,0]=4 2307 B10R1.2 Cc1cccc(c1C)N[13CH3] 7a_100000210026_200025704644 [1,1,0,0,0,0|2,0,0]=4 2308 B10R1.2 Cc1cccc(c1C)O[13CH3] 34a_100000185855_200025704644 [1,1,0,0,0,0|2,0,0]=4 2309 B10R1.2 Cc1cccc(c1C)O[13CH3] 7a_100000185855_200025704644 [1,1,0,0,0,0|2,0,0]=4 2310 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_100011214922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2311 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_200025704644_100011214922 [1,1,0,0,0,0|2,0,0]=4 2312 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 34a_100000765562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 7a_100000765562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 34a_100000695629_200025704644 [1,1,0,0,0,0|2,0,0]=4 2315 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 7a_100000695629_200025704644 [1,1,0,0,0,0|2,0,0]=4 2316 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200012352035_200025704644 [1,1,0,0,0,0|2,0,0]=4 2317 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200025704644_200012352035 [1,1,0,0,0,0|2,0,0]=4 2318 B10R1.2 Cc1cccc(c1F)N[13CH3] 2230a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2319 B10R1.2 Cc1cccc(c1F)N[13CH3] 34a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2320 B10R1.2 Cc1cccc(c1F)N[13CH3] 7a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2321 B10R1.2 Cc1cccc(c1F)O[13CH3] 34a_100000751311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2322 B10R1.2 Cc1cccc(c1F)O[13CH3] 7a_100000751311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2323 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_100000717567_200025704644 [1,1,0,0,0,0|2,0,0]=4 2324 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_200025704644_100000717567 [1,1,0,0,0,0|2,0,0]=4 2325 B10R1.2 Cc1cccc(c1I)N[13CH3] 34a_100000761888_200025704644 [1,1,0,0,0,0|2,0,0]=4 2326 B10R1.2 Cc1cccc(c1I)O[13CH3] 34a_100010083724_200025704644 [1,1,0,0,0,0|2,0,0]=4 2327 B10R1.2 Cc1cccc(c1I)O[13CH3] 7a_100010083724_200025704644 [1,1,0,0,0,0|2,0,0]=4 2328 B10R1.2 Cc1cccc(c1N)O[13CH3] 34a_100000743429_200025704644 [1,1,0,0,0,0|2,0,0]=4 2329 B10R1.2 Cc1cccc(c1N)O[13CH3] 7a_100000743429_200025704644 [1,1,0,0,0,0|2,0,0]=4 2330 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_100011834072_200025704644 [1,1,0,0,0,0|2,0,0]=4 2331 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_200025704644_100011834072 [1,1,0,0,0,0|2,0,0]=4 2332 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,1,0,0,0,0|1,0,1]=4 2333 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|1,0,0]=3 2334 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2335 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,1,0,0,0,0|1,0,0]=3 2336 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,1,0,0,0,0|1,0,0]=3 2337 B10R1.2 Cc1ccnc(c1O)S[13CH3] 62a_200025704644_100000696282 [1,1,0,0,0,0|2,0,0]=4 2338 B10R1.2 N#Cc1cccc(c1O)Br 271570a_203496583355_100000703783 [1,1,0,0,0,0|1,0,1]=4 2339 B10R1.2 N#Cc1cccc(c1O)Cl 271570a_203496583355_100010134094 [1,1,0,0,0,0|1,0,1]=4 2340 B10R1.2 N#Cc1cccc(c1O)F 271570a_203496583355_100011219237 [1,1,0,0,0,0|1,0,1]=4 2341 B10R1.2 N#Cc1cccc(c1O)N 271570a_203496583355_100009877206 [1,1,0,0,0,0|1,0,1]=4 2342 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,1,0,0,0,0|1,0,1]=4 2343 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,1,0,0,0,0|1,0,1]=4 2344 B10R1.2 NCc1cccc(c1F)O 271570a_203496583355_100015189953 [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [1,1,0,0,0,0|2,0,0]=4 2346 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|1,0,1]=4 2347 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|1,0,1]=4 2348 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|1,0,1]=4 2349 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,1,0,0,0,0|1,0,0]=3 2352 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,1,0,0,0,0|1,0,0]=3 2353 B10R1.2 [13CH3]Nc1cccc(c1Br)Cl 34a_100000687072_200025704644 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.2 [13CH3]Nc1cccc(c1Br)F 34a_100011934729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2356 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.2 [13CH3]Nc1cccc(c1Cl)Br 34a_100000687075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2358 B10R1.2 [13CH3]Nc1cccc(c1Cl)Cl 34a_100000185733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.2 [13CH3]Nc1cccc(c1Cl)F 34a_100000692321_200025704644 [1,1,0,0,0,0|2,0,0]=4 2360 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2361 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2362 B10R1.2 [13CH3]Nc1cccc(c1F)Br 2230a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.2 [13CH3]Nc1cccc(c1F)Br 34a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2364 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 2230a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2365 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 34a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2366 B10R1.2 [13CH3]Nc1cccc(c1F)F 34a_100000743855_200025704644 [1,1,0,0,0,0|2,0,0]=4 2367 B10R1.2 [13CH3]Nc1cccc(c1I)Br 34a_100020590159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2368 B10R1.2 [13CH3]Nc1cccc(c1I)Cl 34a_100000049713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2369 B10R1.2 [13CH3]Nc1cccc(c1I)F 34a_100000690935_200025704644 [1,1,0,0,0,0|2,0,0]=4 2370 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,1,0,0,0,0|1,0,0]=3 2371 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,1,0,0,0,0|1,0,0]=3 2372 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,1,0,0,0,0|1,0,0]=3 2373 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 34a_100010187966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2374 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 7a_100010187966_200025704644 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 34a_100012348804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2376 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 7a_100012348804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2377 B10R1.2 [13CH3]Oc1cccc(c1Br)F 34a_100009820682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2378 B10R1.2 [13CH3]Oc1cccc(c1Br)F 7a_100009820682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2379 B10R1.2 [13CH3]Oc1cccc(c1Br)I 34a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2380 B10R1.2 [13CH3]Oc1cccc(c1Br)I 7a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2381 B10R1.2 [13CH3]Oc1cccc(c1Br)N 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2382 B10R1.2 [13CH3]Oc1cccc(c1Br)N 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2383 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 34a_100010187913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 7a_100010187913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2385 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 34a_100000211076_200025704644 [1,1,0,0,0,0|2,0,0]=4 2386 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 7a_100000211076_200025704644 [1,1,0,0,0,0|2,0,0]=4 2387 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 34a_100000087408_200025704644 [1,1,0,0,0,0|2,0,0]=4 2388 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 7a_100000087408_200025704644 [1,1,0,0,0,0|2,0,0]=4 2389 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 34a_100000049636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2390 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 7a_100000049636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2392 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2393 B10R1.2 [13CH3]Oc1cccc(c1F)Br 34a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2394 B10R1.2 [13CH3]Oc1cccc(c1F)Br 7a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2395 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 34a_100000687438_200025704644 [1,1,0,0,0,0|2,0,0]=4 2396 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 7a_100000687438_200025704644 [1,1,0,0,0,0|2,0,0]=4 2397 B10R1.2 [13CH3]Oc1cccc(c1F)F 34a_100000751161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2398 B10R1.2 [13CH3]Oc1cccc(c1F)F 7a_100000751161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2399 B10R1.2 [13CH3]Oc1cccc(c1I)Br 34a_100010187912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2400 B10R1.2 [13CH3]Oc1cccc(c1I)Br 7a_100010187912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2401 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 34a_100000050174_200025704644 [1,1,0,0,0,0|2,0,0]=4 2402 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 7a_100000050174_200025704644 [1,1,0,0,0,0|2,0,0]=4 2403 B10R1.2 [13CH3]Oc1cccc(c1I)F 34a_100000690913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2404 B10R1.2 [13CH3]Oc1cccc(c1I)F 7a_100000690913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2405 B10R1.2 [13CH3]Oc1cccc(c1N)Br 34a_100011934926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2406 B10R1.2 [13CH3]Oc1cccc(c1N)Br 7a_100011934926_200025704644 [1,1,0,0,0,0|2,0,0]=4 2407 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 34a_100012022510_200025704644 [1,1,0,0,0,0|2,0,0]=4 2408 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 7a_100012022510_200025704644 [1,1,0,0,0,0|2,0,0]=4 2409 B10R1.2 [13CH3]Oc1cccc(c1N)F 34a_100020591140_200025704644 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.2 [13CH3]Oc1cccc(c1N)F 7a_100020591140_200025704644 [1,1,0,0,0,0|2,0,0]=4 2411 B10R1.2 [13CH3]Oc1cccc(c1N)I 34a_200000049512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.2 [13CH3]Oc1cccc(c1N)I 7a_200000049512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.2 [13CH3]Oc1cccc(c1N)N 34a_100000033209_200025704644 [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_100010175083_200025704644 [1,1,0,0,0,0|2,0,0]=4 2415 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_200025704644_100010175083 [1,1,0,0,0,0|2,0,0]=4 2416 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_100014021842_200025704644 [1,1,0,0,0,0|2,0,0]=4 2417 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_200025704644_100014021842 [1,1,0,0,0,0|2,0,0]=4 2418 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_100010202630_200025704644 [1,1,0,0,0,0|2,0,0]=4 2419 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_200025704644_100010202630 [1,1,0,0,0,0|2,0,0]=4 2420 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,1,0,0,0,0|2,0,0]=4 2422 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_100010142854_200025704644 [1,1,0,0,0,0|2,0,0]=4 2423 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_200025704644_100010142854 [1,1,0,0,0,0|2,0,0]=4 2424 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_100011215384_200025704644 [1,1,0,0,0,0|2,0,0]=4 2425 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_200025704644_100011215384 [1,1,0,0,0,0|2,0,0]=4 2426 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200010234923_200025704644 [1,1,0,0,0,0|2,0,0]=4 2427 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200025704644_200010234923 [1,1,0,0,0,0|2,0,0]=4 2428 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,1,0,0,0,0|2,0,0]=4 2429 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_100000702267_200025704644 [1,1,0,0,0,0|2,0,0]=4 2430 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_200025704644_100000702267 [1,1,0,0,0,0|2,0,0]=4 2431 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_100011217346_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_200025704644_100011217346 [1,1,0,0,0,0|2,0,0]=4 2433 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_100000694657_200025704644 [1,1,0,0,0,0|2,0,0]=4 2434 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_200025704644_100000694657 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_200025704644_100011935091 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_100010146558_200025704644 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_200025704644_100010146558 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_100010190421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_200025704644_100010190421 [1,1,0,0,0,0|2,0,0]=4 2443 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_100000042321_200025704644 [1,1,0,0,0,0|2,0,0]=4 2444 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_200025704644_100000042321 [1,1,0,0,0,0|2,0,0]=4 2445 B10R1.2 [13CH3]Sc1cccc(c1N)N 62a_100015191791_200025704644 [1,1,0,0,0,0|2,0,0]=4 2446 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,1,0,0,0,0|2,0,0]=4 2447 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,1,0,0,0,0|1,0,0]=3 2448 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,1,0,0,0,0|1,0,0]=3 2449 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,1,0,0,0,0|1,0,0]=3 2450 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,1,0,0,0,0|1,0,0]=3 2451 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,1,0,0,0,0|1,0,0]=3 2452 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,1,0,0,0,0|1,0,0]=3 2453 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|1,0,0]=3 2454 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|1,0,0]=3 2455 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|1,0,0]=3 2456 B10R1.2 [13CH3]Sc1ccnc(c1O)Cl 62a_200025704644_100010067911 [1,1,0,0,0,0|2,0,0]=4 2457 B10R1.2 [13CH3]Sc1cncc(c1O)N 62a_100000694263_200025704644 [1,1,0,0,0,0|2,0,0]=4 2458 B10R1.2 [13CH3]Sc1cncc(c1O)N 62a_200025704644_100000694263 [1,1,0,0,0,0|2,0,0]=4 2459 B10R1.2 [13CH3]Sc1nccc(c1O)F 62a_200025704644_100009867227 [1,1,0,0,0,0|2,0,0]=4 2460 B10R1.2 [13CH3]Sc1nccc(c1O)N 62a_200025704644_100009844647 [1,1,0,0,0,0|2,0,0]=4 2461 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|0,0,2]=4 2462 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|0,0,1]=3 2463 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 2464 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 2465 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 2466 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 2467 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 2468 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|0,0,1]=3 2469 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|1,0,1]=4 2470 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|1,0,1]=4 2471 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [1,1,0,0,0,0|2,0,0]=4 2472 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|1,0,0]=3 2473 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,0]=3 2474 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|1,0,0]=3 2475 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|1,0,0]=3 2476 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|1,0,0]=3 2477 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|0,0,0]=2 2478 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|0,0,0]=2 2479 B10R1.4 CCNc1ccncc1Br 27a_100015525214_100000726257 [1,1,0,0,0,0|2,0,0]=4 2480 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,1,0,0,0,0|2,0,0]=4 2481 B10R1.4 CCNc1ccncc1F 27a_100015525214_100000035921 [1,1,0,0,0,0|2,0,0]=4 2482 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,1,0,0,0,0|2,0,0]=4 2483 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 2484 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 2485 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 2486 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|1,0,0]=3 2487 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|1,0,0]=3 2488 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2489 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2490 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2491 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2492 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 2493 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 2494 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2495 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2496 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,0]=2 2497 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2498 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2499 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|2,0,0]=4 2501 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 2502 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 2503 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 2504 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 2507 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 2508 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 2509 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,0]=3 2510 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2511 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2512 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|2,0,0]=4 2513 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|2,0,0]=4 2514 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|2,0,0]=4 2515 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|2,0,0]=4 2516 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|2,0,0]=4 2517 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|2,0,0]=4 2518 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|2,0,0]=4 2519 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|2,0,0]=4 2520 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|2,0,0]=4 2521 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,1]=4 2522 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|2,0,0]=4 2523 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|2,0,0]=4 2524 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|2,0,0]=4 2525 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,0]=3 2526 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|2,0,0]=4 2527 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [1,1,0,0,0,0|1,0,1]=4 2528 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [1,1,0,0,0,0|1,0,1]=4 2529 B10R1.4 CCSc1c[nH]ccc1=S 62a_100000210202_200012280681 [1,1,0,0,0,0|1,1,0]=4 2530 B10R1.4 CCSc1c[nH]ccc1=S 62a_200012280681_100000210202 [1,1,0,0,0,0|1,1,0]=4 2531 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,1,0,0,0,0|2,0,0]=4 2532 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [1,1,0,0,0,0|1,0,1]=4 2533 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|1,0,0]=3 2534 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|1,0,0]=3 2535 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|1,0,0]=3 2536 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|1,0,0]=3 2537 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|1,0,0]=3 2538 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|1,0,0]=3 2539 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|1,0,0]=3 2540 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|1,0,0]=3 2541 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|1,0,0]=3 2542 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|1,0,0]=3 2543 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,0,0]=2 2544 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,0,0]=2 2545 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,0,0]=2 2546 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,1,0,0,0,0|2,0,0]=4 2547 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,1,0,0,0,0|2,0,0]=4 2548 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|2,0,0]=4 2549 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|2,0,0]=4 2550 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,1,0,0,0,0|2,0,0]=4 2551 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,1,0,0,0,0|2,0,0]=4 2552 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,1,0,0,0,0|2,0,0]=4 2553 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,1,0,0,0,0|2,0,0]=4 2554 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,1,0,0,0,0|2,0,0]=4 2555 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,1,0,0,0,0|2,0,0]=4 2556 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,1,0,0,0,0|1,0,0]=3 2557 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,1,0,0,0,0|1,0,0]=3 2558 B10R1.4 CCSc1ccncc1Br 62a_100000210202_100000726257 [1,1,0,0,0,0|2,0,0]=4 2559 B10R1.4 CCSc1ccncc1Br 62a_100000726257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2560 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,1,0,0,0,0|2,0,0]=4 2561 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,1,0,0,0,0|2,0,0]=4 2562 B10R1.4 CCSc1ccncc1Cl 62a_100000210202_100000708259 [1,1,0,0,0,0|2,0,0]=4 2563 B10R1.4 CCSc1ccncc1Cl 62a_100000708259_100000210202 [1,1,0,0,0,0|2,0,0]=4 2564 B10R1.4 CCSc1ccncc1F 62a_100000047030_100000210202 [1,1,0,0,0,0|2,0,0]=4 2565 B10R1.4 CCSc1ccncc1F 62a_100000210202_100000047030 [1,1,0,0,0,0|2,0,0]=4 2566 B10R1.4 CCSc1ccncc1N 62a_100000210202_100000756074 [1,1,0,0,0,0|2,0,0]=4 2567 B10R1.4 CCSc1ccncc1N 62a_100000756074_100000210202 [1,1,0,0,0,0|2,0,0]=4 2568 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,1,0,0,0,0|1,0,0]=3 2569 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,1,0,0,0,0|1,0,0]=3 2570 B10R1.4 CCSc1cnccc1Br 62a_100000210202_100010138639 [1,1,0,0,0,0|2,0,0]=4 2571 B10R1.4 CCSc1cnccc1Br 62a_100010138639_100000210202 [1,1,0,0,0,0|2,0,0]=4 2572 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,1,0,0,0,0|2,0,0]=4 2573 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,1,0,0,0,0|2,0,0]=4 2574 B10R1.4 CCSc1cnccc1Cl 62a_100000210202_100009995489 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.4 CCSc1cnccc1Cl 62a_100009995489_100000210202 [1,1,0,0,0,0|2,0,0]=4 2576 B10R1.4 CCSc1cnccc1F 62a_100000210202_100009820683 [1,1,0,0,0,0|2,0,0]=4 2577 B10R1.4 CCSc1cnccc1F 62a_100009820683_100000210202 [1,1,0,0,0,0|2,0,0]=4 2578 B10R1.4 CCSc1cnccc1N 62a_100000047001_100000210202 [1,1,0,0,0,0|2,0,0]=4 2579 B10R1.4 CCSc1cnccc1N 62a_100000210202_100000047001 [1,1,0,0,0,0|2,0,0]=4 2580 B10R1.4 CCSc1cncnc1O 62a_100000210202_100000751107 [1,1,0,0,0,0|2,0,0]=4 2581 B10R1.4 CCSc1cncnc1O 62a_100000751107_100000210202 [1,1,0,0,0,0|2,0,0]=4 2582 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,1,0,0,0,0|2,0,0]=4 2583 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,1,0,0,0,0|2,0,0]=4 2584 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|2,0,0]=4 2585 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|2,0,0]=4 2586 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,1,0,0,0,0|2,0,0]=4 2587 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,1,0,0,0,0|2,0,0]=4 2588 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,1,0,0,0,0|2,0,0]=4 2589 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,1,0,0,0,0|2,0,0]=4 2590 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,1,0,0,0,0|2,0,0]=4 2591 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,1,0,0,0,0|2,0,0]=4 2592 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|1,0,0]=3 2593 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|1,0,0]=3 2594 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,0]=3 2595 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 2596 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 2597 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,0]=3 2598 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,0]=3 2599 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 2600 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,0]=3 2601 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 2602 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,0]=3 2603 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 2604 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,0]=3 2605 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2606 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,0]=3 2607 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 2608 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,0]=3 2609 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 2610 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 2611 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,0]=3 2612 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,0]=3 2613 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 2614 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,0]=3 2615 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 2616 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,0]=3 2617 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 2618 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,0]=3 2619 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,0]=3 2620 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,0]=3 2621 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 2622 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,0]=3 2623 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 2624 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,0]=3 2625 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,0]=3 2626 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 2627 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|0,0,0]=2 2628 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|0,0,0]=2 2629 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2630 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 2631 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2632 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|2,0,0]=4 2633 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 2634 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|2,0,0]=4 2635 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 2636 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|2,0,0]=4 2637 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|2,0,0]=4 2638 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 2639 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2640 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 2641 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2642 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|2,0,0]=4 2643 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 2644 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 2645 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|2,0,0]=4 2646 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|2,0,0]=4 2647 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 2648 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|1,0,0]=3 2649 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|1,0,0]=3 2650 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|1,0,0]=3 2651 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,1,0,0,0,0|2,0,0]=4 2652 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 2653 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|2,0,0]=4 2654 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 2655 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,1,0,0,0,0|2,0,0]=4 2656 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 2657 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,1,0,0,0,0|2,0,0]=4 2658 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 2659 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,1,0,0,0,0|2,0,0]=4 2660 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|2,0,0]=4 2661 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|2,0,0]=4 2662 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 2663 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|2,0,0]=4 2664 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|2,0,0]=4 2665 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 2666 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|2,0,0]=4 2667 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|2,0,0]=4 2668 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 2669 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|2,0,0]=4 2670 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|2,0,0]=4 2671 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 2672 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|2,0,0]=4 2673 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 2674 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|2,0,0]=4 2675 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2676 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|2,0,0]=4 2677 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 2678 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|2,0,0]=4 2679 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|2,0,0]=4 2680 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 2681 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|2,0,0]=4 2682 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 2683 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|2,0,0]=4 2684 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 2685 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|2,0,0]=4 2686 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|2,0,0]=4 2687 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|2,0,0]=4 2688 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 2689 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|1,0,0]=3 2690 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|1,0,0]=3 2691 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2692 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,0]=3 2693 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2694 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|1,0,0]=3 2695 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|1,0,0]=3 2696 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|1,0,0]=3 2697 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 2698 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,0]=3 2699 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 2700 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 2701 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,0]=3 2702 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 2703 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 2704 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,0]=3 2705 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 2706 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,0]=3 2707 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|0,0,0]=2 2708 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2709 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|2,0,0]=4 2710 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2711 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|2,0,0]=4 2712 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|2,0,0]=4 2713 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|2,0,0]=4 2714 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 2715 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|2,0,0]=4 2716 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 2717 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2718 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|2,0,0]=4 2719 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2720 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,1,0,0,0,0|2,0,0]=4 2721 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,1,0,0,0,0|2,0,0]=4 2722 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [1,1,0,0,0,0|2,0,0]=4 2723 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2724 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,1,0,0,0,0|2,0,0]=4 2725 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,1,0,0,0,0|2,0,0]=4 2726 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2727 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|2,0,0]=4 2728 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2729 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|2,0,0]=4 2730 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|2,0,0]=4 2731 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2732 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|2,0,0]=4 2733 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|2,0,0]=4 2734 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,0]=3 2735 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,0,0]=3 2736 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,0,0]=3 2737 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|1,0,0]=3 2738 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|1,0,0]=3 2739 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,0,0]=3 2740 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,0,0]=3 2741 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,0,0]=3 2742 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,0,0]=3 2743 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,0,0]=3 2744 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,0,0]=3 2745 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|0,0,0]=2 2746 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2747 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [1,1,0,0,0,0|2,0,0]=4 2748 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,1,0,0,0,0|2,0,0]=4 2749 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,1,0,0,0,0|2,0,0]=4 2750 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [1,1,0,0,0,0|2,0,0]=4 2751 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [1,1,0,0,0,0|2,0,0]=4 2752 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2753 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [1,1,0,0,0,0|2,0,0]=4 2754 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [1,1,0,0,0,0|2,0,0]=4 2756 B10R1.4 CSCc1ccncc1Cl 62a_100000763264_200000210301 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.4 CSCc1ccncc1Cl 62a_200000210301_100000763264 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [1,1,0,0,0,0|2,0,0]=4 2759 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,1,0,0,0,0|2,0,0]=4 2762 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,1,0,0,0,0|2,0,0]=4 2766 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|1,0,0]=3 2769 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|1,0,0]=3 2770 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2771 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|1,0,0]=3 2772 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|1,0,0]=3 2773 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|1,0,0]=3 2774 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|1,0,0]=3 2775 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|2,0,0]=4 2776 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|2,0,0]=4 2777 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|2,0,0]=4 2778 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|2,0,0]=4 2779 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|2,0,0]=4 2780 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2781 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2782 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|2,0,0]=4 2783 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|2,0,0]=4 2784 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2785 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [1,1,0,0,0,0|2,0,0]=4 2786 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [1,1,0,0,0,0|2,0,0]=4 2787 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,1,0,0,0,0|2,0,0]=4 2788 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [1,1,0,0,0,0|2,0,0]=4 2789 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [1,1,0,0,0,0|2,0,0]=4 2790 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|2,0,0]=4 2791 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|2,0,0]=4 2792 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,1,0,0,0,0|2,0,0]=4 2793 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,1,0,0,0,0|2,0,0]=4 2794 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 2795 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 2796 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 2797 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 2798 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|2,0,0]=4 2799 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|2,0,0]=4 2800 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2801 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2802 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|2,0,0]=4 2803 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|2,0,0]=4 2804 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 2805 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 2806 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|2,0,0]=4 2807 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|2,0,0]=4 2808 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|2,0,0]=4 2809 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|2,0,0]=4 2810 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|2,0,0]=4 2811 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|2,0,0]=4 2812 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|0,0,1]=3 2813 B10R1.4 N#CCc1cccnc1O 271570a_203496583355_100000096391 [1,1,0,0,0,0|1,0,1]=4 2814 B10R1.4 N#CCc1ncccc1O 271570a_203496583355_100011824415 [1,1,0,0,0,0|1,0,1]=4 2815 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|0,0,0]=2 2816 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|1,0,0]=3 2817 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 2818 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 2819 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 2820 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|2,0,0]=4 2821 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,0]=2 2822 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 2823 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 2824 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|1,0,0]=3 2825 B10R1.4 Oc1cccnc1SCF 62a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 2826 B10R1.4 Oc1cccnc1SCF 62a_100015361967_100000034122 [1,1,0,0,0,0|2,0,0]=4 2827 B10R1.4 Oc1cnccc1SCF 62a_100009817591_100015361967 [1,1,0,0,0,0|2,0,0]=4 2828 B10R1.4 Oc1cnccc1SCF 62a_100015361967_100009817591 [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.4 Oc1ncccc1SCF 62a_100000760158_100015361967 [1,1,0,0,0,0|2,0,0]=4 2830 B10R1.4 Oc1ncccc1SCF 62a_100015361967_100000760158 [1,1,0,0,0,0|2,0,0]=4 2831 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 2832 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 2833 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 2834 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 2835 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,0]=3 2836 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|0,0,0]=2 2837 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2838 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|2,0,0]=4 2842 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,1,0,0,0,0|2,0,0]=4 2843 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|2,0,0]=4 2844 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|2,0,0]=4 2845 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 2846 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 2847 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 2848 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 2849 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 2850 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 2851 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 2852 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 2853 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,0]=3 2854 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 2856 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 2857 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 2858 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 2859 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 2860 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [1,1,0,0,0,0|2,0,0]=4 2861 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,0,0]=3 2867 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,0,0]=3 2868 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,0,0]=3 2869 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,0,0]=3 2870 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,0,0]=3 2871 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,0,0]=3 2872 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,0,0]=3 2873 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,0,0]=3 2874 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_100000763264_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B10R1.4 [13CH3]SCc1ccncc1Cl 62a_200025704644_100000763264 [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,1,0,0,0,0|2,0,0]=4 2886 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,1,0,0,0,0|2,0,0]=4 2887 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|1,0,0]=3 2889 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|1,0,0]=3 2890 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,1,0,0,0,0|2,0,0]=4 2891 B10R1.20 C#Cc1ccccc1NC 34a_100011470550_200000210301 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.20 C#Cc1ccccc1N[13CH3] 34a_100011470550_200025704644 [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [1,1,0,0,0,0|0,0,2]=4 2894 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [1,1,0,0,0,0|0,0,2]=4 2895 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [1,1,0,0,0,0|0,0,2]=4 2896 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [1,1,0,0,0,0|0,0,2]=4 2897 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,1,0,0,0,0|1,0,0]=3 2898 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [1,1,0,0,0,0|0,0,2]=4 2900 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,1,0,0,0,0|2,0,0]=4 2901 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,1,0,0,0,0|2,0,0]=4 2903 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,1,0,0,0,0|0,0,2]=4 2904 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [1,1,0,0,0,0|2,0,0]=4 2905 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [1,1,0,0,0,0|2,0,0]=4 2906 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [1,1,0,0,0,0|2,0,0]=4 2907 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [1,1,0,0,0,0|2,0,0]=4 2908 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [1,1,0,0,0,0|2,0,0]=4 2909 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,1,0,0,0,0|2,0,0]=4 2910 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [1,1,0,0,0,0|2,0,0]=4 2911 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [1,1,0,0,0,0|2,0,0]=4 2912 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,1,0,0,0,0|1,0,0]=3 2913 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,1,0,0,0,0|1,0,0]=3 2914 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,1,0,0,0,0|1,0,0]=3 2915 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,1,0,0,0,0|1,0,0]=3 2916 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,1,0,0,0,0|1,0,0]=3 2917 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,1,0,0,0,0|1,0,0]=3 2918 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,1,0,0,0,0|0,0,0]=2 2919 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,1,0,0,0,0|0,0,0]=2 2920 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,1,0,0,0,0|0,0,0]=2 2921 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,1,0,0,0,0|0,0,0]=2 2922 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,1,0,0,0,0|0,1,0]=3 2923 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,1,0,0,0,0|0,1,0]=3 2924 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,1,0,0,0,0|0,1,0]=3 2925 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,1,0,0,0,0|0,1,0]=3 2926 B10R1.20 CCc1ccncc1SC 62a_100009819861_200000210301 [1,1,0,0,0,0|1,1,0]=4 2927 B10R1.20 CCc1ccncc1SC 62a_200000210301_100009819861 [1,1,0,0,0,0|1,1,0]=4 2928 B10R1.20 CCc1ccncc1S[13CH3] 62a_100009819861_200025704644 [1,1,0,0,0,0|1,1,0]=4 2929 B10R1.20 CCc1ccncc1S[13CH3] 62a_200025704644_100009819861 [1,1,0,0,0,0|1,1,0]=4 2930 B10R1.20 CCc1cnccc1SC 62a_100025704421_200000210301 [1,1,0,0,0,0|1,1,0]=4 2931 B10R1.20 CCc1cnccc1SC 62a_200000210301_100025704421 [1,1,0,0,0,0|1,1,0]=4 2932 B10R1.20 CCc1cnccc1S[13CH3] 62a_100025704421_200025704644 [1,1,0,0,0,0|1,1,0]=4 2933 B10R1.20 CCc1cnccc1S[13CH3] 62a_200025704644_100025704421 [1,1,0,0,0,0|1,1,0]=4 2934 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,1,0,0,0,0|1,1,0]=4 2935 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,1,0,0,0,0|1,1,0]=4 2936 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,1,0,0,0,0|1,1,0]=4 2937 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,1,0,0,0,0|1,1,0]=4 2938 B10R1.20 CNc1ccccc1C#N 34a_100000211148_200000210301 [1,1,0,0,0,0|2,0,0]=4 2939 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,0]=3 2940 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [1,1,0,0,0,0|1,0,0]=3 2941 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [1,1,0,0,0,0|1,0,0]=3 2942 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [1,1,0,0,0,0|1,0,0]=3 2943 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [1,1,0,0,0,0|1,1,0]=4 2944 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [1,1,0,0,0,0|1,1,0]=4 2945 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [1,1,0,0,0,0|1,1,0]=4 2946 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [1,1,0,0,0,0|1,1,0]=4 2947 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [1,1,0,0,0,0|1,1,0]=4 2948 B10R1.20 CNc1ccncc1CO 27a_100102657272_100000117392 [1,1,0,0,0,0|2,0,0]=4 2949 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [1,1,0,0,0,0|1,0,1]=4 2950 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [1,1,0,0,0,0|1,0,1]=4 2951 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,0]=3 2952 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,1,0,0,0,0|1,0,0]=3 2953 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [1,1,0,0,0,0|1,0,0]=3 2954 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [1,1,0,0,0,0|1,0,0]=3 2955 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [1,1,0,0,0,0|1,0,0]=3 2956 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [1,1,0,0,0,0|1,0,0]=3 2957 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [1,1,0,0,0,0|1,0,0]=3 2958 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [1,1,0,0,0,0|1,0,0]=3 2959 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [1,1,0,0,0,0|1,0,0]=3 2960 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [1,1,0,0,0,0|1,0,0]=3 2961 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [1,1,0,0,0,0|2,0,0]=4 2963 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,1,0,0,0,0|2,0,0]=4 2964 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2965 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,1,0,0,0,0|2,0,0]=4 2966 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2967 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,1,0,0,0,0|2,0,0]=4 2968 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2969 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,1,0,0,0,0|2,0,0]=4 2970 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2971 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,1,0,0,0,0|2,0,0]=4 2972 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [1,1,0,0,0,0|2,0,0]=4 2973 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [1,1,0,0,0,0|2,0,0]=4 2974 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [1,1,0,0,0,0|2,0,0]=4 2975 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [1,1,0,0,0,0|2,0,0]=4 2976 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [1,1,0,0,0,0|2,0,0]=4 2977 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [1,1,0,0,0,0|2,0,0]=4 2978 B10R1.20 COc1cnccc1CO 34a_100000078615_200000210301 [1,1,0,0,0,0|2,0,0]=4 2979 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [1,1,0,0,0,0|2,0,0]=4 2980 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [1,1,0,0,0,0|2,0,0]=4 2981 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [1,1,0,0,0,0|2,0,0]=4 2982 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [1,1,0,0,0,0|2,0,0]=4 2983 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2984 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2985 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,1,0,0,0,0|2,0,0]=4 2986 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,1,0,0,0,0|2,0,0]=4 2987 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,1,0,0,0,0|2,0,0]=4 2988 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,1,0,0,0,0|2,0,0]=4 2989 B10R1.20 CSc1ccccc1C#N 62a_200000210301_100000188569 [1,1,0,0,0,0|2,0,0]=4 2990 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,1,0,0,0,0|1,0,1]=4 2991 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,1,0,0,0,0|1,0,1]=4 2992 B10R1.20 CSc1ccccc1CN 62a_100000689332_200000210301 [1,1,0,0,0,0|1,1,0]=4 2993 B10R1.20 CSc1ccccc1CN 62a_200000210301_100000689332 [1,1,0,0,0,0|1,1,0]=4 2994 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 2995 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [1,1,0,0,0,0|1,0,0]=3 2996 B10R1.20 CSc1ccccc1NN 62a_100000241748_200000210301 [1,1,0,0,0,0|2,0,0]=4 2997 B10R1.20 CSc1ccccc1NN 62a_200000210301_100000241748 [1,1,0,0,0,0|2,0,0]=4 2998 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [1,1,0,0,0,0|1,1,0]=4 2999 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [1,1,0,0,0,0|1,0,0]=3 3000 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [1,1,0,0,0,0|1,1,0]=4 3001 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [1,1,0,0,0,0|1,1,0]=4 3002 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [1,1,0,0,0,0|1,1,0]=4 3003 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [1,1,0,0,0,0|1,1,0]=4 3004 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 3005 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [1,1,0,0,0,0|2,0,0]=4 3006 B10R1.20 CSc1ccncc1CO 62a_100000117392_200000210301 [1,1,0,0,0,0|2,0,0]=4 3007 B10R1.20 CSc1ccncc1CO 62a_200000210301_100000117392 [1,1,0,0,0,0|2,0,0]=4 3008 B10R1.20 CSc1cnccc1CO 62a_100009873359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3009 B10R1.20 CSc1cnccc1CO 62a_200000210301_100009873359 [1,1,0,0,0,0|2,0,0]=4 3010 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 3011 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [1,1,0,0,0,0|2,0,0]=4 3012 B10R1.20 [13CH3]Nc1ccccc1C#N 34a_100000211148_200025704644 [1,1,0,0,0,0|2,0,0]=4 3013 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,0]=3 3014 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [1,1,0,0,0,0|1,0,1]=4 3015 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [1,1,0,0,0,0|1,0,1]=4 3016 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,0]=3 3017 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,1,0,0,0,0|1,0,0]=3 3018 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3019 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.20 [13CH3]Oc1cnccc1CO 34a_100000078615_200025704644 [1,1,0,0,0,0|2,0,0]=4 3022 B10R1.20 [13CH3]Sc1ccccc1C#N 62a_200025704644_100000188569 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3024 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,1,0,0,0,0|1,0,1]=4 3025 B10R1.20 [13CH3]Sc1ccccc1CN 62a_100000689332_200025704644 [1,1,0,0,0,0|1,1,0]=4 3026 B10R1.20 [13CH3]Sc1ccccc1CN 62a_200025704644_100000689332 [1,1,0,0,0,0|1,1,0]=4 3027 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 3028 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [1,1,0,0,0,0|1,0,0]=3 3029 B10R1.20 [13CH3]Sc1ccccc1NN 62a_100000241748_200025704644 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.20 [13CH3]Sc1ccccc1NN 62a_200025704644_100000241748 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 3032 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [1,1,0,0,0,0|2,0,0]=4 3033 B10R1.20 [13CH3]Sc1ccncc1CO 62a_100000117392_200025704644 [1,1,0,0,0,0|2,0,0]=4 3034 B10R1.20 [13CH3]Sc1ccncc1CO 62a_200025704644_100000117392 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.20 [13CH3]Sc1cnccc1CO 62a_100009873359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.20 [13CH3]Sc1cnccc1CO 62a_200025704644_100009873359 [1,1,0,0,0,0|2,0,0]=4 3037 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 3038 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [1,1,0,0,0,0|2,0,0]=4 3039 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|0,0,2]=4 3040 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|0,0,2]=4 3041 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|0,0,2]=4 3042 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|0,0,2]=4 3043 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|0,0,2]=4 3044 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|1,0,0]=3 3045 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|1,0,0]=3 3046 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [1,1,0,0,0,0|1,0,0]=3 3047 B10R1.25 CCc1cnc(nc1O)C 271570a_203496583355_200000069817 [1,1,0,0,0,0|2,0,0]=4 3048 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [1,1,0,0,0,0|1,0,0]=3 3049 B10R1.25 CNc1ccc(cc1Br)Br 34a_100000211012_200000210301 [1,1,0,0,0,0|2,0,0]=4 3050 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.25 CNc1ccc(cc1Br)Cl 34a_100000752454_200000210301 [1,1,0,0,0,0|2,0,0]=4 3052 B10R1.25 CNc1ccc(cc1Br)F 34a_100000738039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3053 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3054 B10R1.25 CNc1ccc(cc1C)Br 34a_100000211769_200000210301 [1,1,0,0,0,0|2,0,0]=4 3055 B10R1.25 CNc1ccc(cc1C)Br 7a_100000211769_200000210301 [1,1,0,0,0,0|2,0,0]=4 3056 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3057 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,1,0,0,0,0|2,0,0]=4 3058 B10R1.25 CNc1ccc(cc1C)Cl 34a_100000210418_200000210301 [1,1,0,0,0,0|2,0,0]=4 3059 B10R1.25 CNc1ccc(cc1C)Cl 7a_100000210418_200000210301 [1,1,0,0,0,0|2,0,0]=4 3060 B10R1.25 CNc1ccc(cc1C)F 34a_100000211637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3061 B10R1.25 CNc1ccc(cc1C)F 7a_100000211637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3062 B10R1.25 CNc1ccc(cc1C)I 34a_100000184554_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B10R1.25 CNc1ccc(cc1C)I 7a_100000184554_200000210301 [1,1,0,0,0,0|2,0,0]=4 3064 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|2,0,0]=4 3065 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B10R1.25 CNc1ccc(cc1Cl)Br 34a_100000211467_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,1,0,0,0,0|2,0,0]=4 3068 B10R1.25 CNc1ccc(cc1Cl)Cl 34a_100000185861_200000210301 [1,1,0,0,0,0|2,0,0]=4 3069 B10R1.25 CNc1ccc(cc1Cl)F 34a_100000212003_200000210301 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.25 CNc1ccc(cc1Cl)I 34a_100011218065_200000210301 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.25 CNc1ccc(cc1F)Br 34a_100000210722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3073 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3074 B10R1.25 CNc1ccc(cc1F)Cl 34a_100000211020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3075 B10R1.25 CNc1ccc(cc1F)F 34a_100000210720_200000210301 [1,1,0,0,0,0|2,0,0]=4 3076 B10R1.25 CNc1ccc(cc1F)I 34a_100011215594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3077 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|2,0,0]=4 3078 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3079 B10R1.25 CNc1ccc(cc1I)Br 34a_100000187925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3080 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3081 B10R1.25 CNc1ccc(cc1I)Cl 34a_100000761889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3082 B10R1.25 CNc1ccc(cc1I)F 34a_100000760547_200000210301 [1,1,0,0,0,0|2,0,0]=4 3083 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 3084 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|2,0,0]=4 3085 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3086 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,1,0,0,0,0|1,0,0]=3 3087 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3088 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3089 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,1,0,0,0,0|1,0,0]=3 3090 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3091 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|1,0,0]=3 3092 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [1,1,0,0,0,0|2,0,0]=4 3099 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3100 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 3102 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 3104 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|2,0,0]=4 3106 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3107 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [1,1,0,0,0,0|2,0,0]=4 3108 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,1,0,0,0,0|2,0,0]=4 3109 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,1,0,0,0,0|2,0,0]=4 3110 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [1,1,0,0,0,0|2,0,0]=4 3111 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [1,1,0,0,0,0|2,0,0]=4 3112 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [1,1,0,0,0,0|2,0,0]=4 3113 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [1,1,0,0,0,0|2,0,0]=4 3114 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [1,1,0,0,0,0|2,0,0]=4 3115 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [1,1,0,0,0,0|2,0,0]=4 3116 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3117 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3118 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|2,0,0]=4 3119 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3120 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3121 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,1,0,0,0,0|2,0,0]=4 3123 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [1,1,0,0,0,0|2,0,0]=4 3125 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [1,1,0,0,0,0|2,0,0]=4 3127 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [1,1,0,0,0,0|2,0,0]=4 3129 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3130 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3131 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|2,0,0]=4 3132 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 3133 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [1,1,0,0,0,0|2,0,0]=4 3134 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3135 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3136 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [1,1,0,0,0,0|2,0,0]=4 3137 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [1,1,0,0,0,0|2,0,0]=4 3138 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [1,1,0,0,0,0|2,0,0]=4 3139 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [1,1,0,0,0,0|2,0,0]=4 3140 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [1,1,0,0,0,0|2,0,0]=4 3141 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [1,1,0,0,0,0|2,0,0]=4 3142 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3144 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [1,1,0,0,0,0|2,0,0]=4 3146 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3148 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3149 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3150 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3151 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [1,1,0,0,0,0|2,0,0]=4 3152 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [1,1,0,0,0,0|2,0,0]=4 3153 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [1,1,0,0,0,0|2,0,0]=4 3154 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 3155 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 3156 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,1,0,0,0,0|2,0,0]=4 3157 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,1,0,0,0,0|2,0,0]=4 3158 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 3159 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3161 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3162 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [1,1,0,0,0,0|2,0,0]=4 3163 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [1,1,0,0,0,0|2,0,0]=4 3164 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,1,0,0,0,0|2,0,0]=4 3165 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,1,0,0,0,0|1,0,0]=3 3167 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,1,0,0,0,0|1,0,0]=3 3168 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,1,0,0,0,0|1,0,0]=3 3169 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,1,0,0,0,0|1,0,0]=3 3170 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,1,0,0,0,0|1,0,0]=3 3171 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|1,0,0]=3 3172 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|1,0,0]=3 3173 B10R1.25 COc1ccc(nc1O)C 271570a_203496583355_100009820875 [1,1,0,0,0,0|2,0,0]=4 3174 B10R1.25 COc1ccc(nc1O)N 271570a_203496583355_100010172607 [1,1,0,0,0,0|2,0,0]=4 3175 B10R1.25 COc1cnc(cc1O)C 271570a_203496583355_100010109759 [1,1,0,0,0,0|2,0,0]=4 3176 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [1,1,0,0,0,0|2,0,0]=4 3177 B10R1.25 COc1ncc(cc1O)Br 271570a_203496583355_100009814608 [1,1,0,0,0,0|2,0,0]=4 3178 B10R1.25 COc1ncc(cc1O)C 271570a_203496583355_100012353929 [1,1,0,0,0,0|2,0,0]=4 3179 B10R1.25 COc1ncc(cc1O)F 271570a_203496583355_100009828472 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.25 COc1ncc(cc1O)N 271570a_203496583355_100012351452 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.25 CSc1ccc(cc1Br)Br 62a_100011484698_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B10R1.25 CSc1ccc(cc1Br)Br 62a_200000210301_100011484698 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,1,0,0,0,0|2,0,0]=4 3186 B10R1.25 CSc1ccc(cc1Br)Cl 62a_100011219703_200000210301 [1,1,0,0,0,0|2,0,0]=4 3187 B10R1.25 CSc1ccc(cc1Br)Cl 62a_200000210301_100011219703 [1,1,0,0,0,0|2,0,0]=4 3188 B10R1.25 CSc1ccc(cc1Br)F 62a_100011217111_200000210301 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.25 CSc1ccc(cc1Br)F 62a_200000210301_100011217111 [1,1,0,0,0,0|2,0,0]=4 3190 B10R1.25 CSc1ccc(cc1Br)N 62a_100000750458_200000210301 [1,1,0,0,0,0|2,0,0]=4 3191 B10R1.25 CSc1ccc(cc1Br)N 62a_200000210301_100000750458 [1,1,0,0,0,0|2,0,0]=4 3192 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3193 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|2,0,0]=4 3194 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [1,1,0,0,0,0|2,0,0]=4 3195 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [1,1,0,0,0,0|2,0,0]=4 3196 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,1,0,0,0,0|2,0,0]=4 3197 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,1,0,0,0,0|2,0,0]=4 3198 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [1,1,0,0,0,0|2,0,0]=4 3199 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [1,1,0,0,0,0|2,0,0]=4 3200 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [1,1,0,0,0,0|2,0,0]=4 3201 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3203 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|2,0,0]=4 3205 B10R1.25 CSc1ccc(cc1Cl)Br 62a_100011216062_200000210301 [1,1,0,0,0,0|2,0,0]=4 3206 B10R1.25 CSc1ccc(cc1Cl)Br 62a_200000210301_100011216062 [1,1,0,0,0,0|2,0,0]=4 3207 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,1,0,0,0,0|2,0,0]=4 3208 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_100000699841_200000210301 [1,1,0,0,0,0|2,0,0]=4 3210 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_200000210301_100000699841 [1,1,0,0,0,0|2,0,0]=4 3211 B10R1.25 CSc1ccc(cc1Cl)F 62a_100000733362_200000210301 [1,1,0,0,0,0|2,0,0]=4 3212 B10R1.25 CSc1ccc(cc1Cl)F 62a_200000210301_100000733362 [1,1,0,0,0,0|2,0,0]=4 3213 B10R1.25 CSc1ccc(cc1Cl)N 62a_100000761885_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B10R1.25 CSc1ccc(cc1Cl)N 62a_200000210301_100000761885 [1,1,0,0,0,0|2,0,0]=4 3215 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|2,0,0]=4 3216 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|2,0,0]=4 3217 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|2,0,0]=4 3218 B10R1.25 CSc1ccc(cc1F)Br 62a_100009814013_200000210301 [1,1,0,0,0,0|2,0,0]=4 3219 B10R1.25 CSc1ccc(cc1F)Br 62a_200000210301_100009814013 [1,1,0,0,0,0|2,0,0]=4 3220 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3221 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,1,0,0,0,0|2,0,0]=4 3222 B10R1.25 CSc1ccc(cc1F)Cl 62a_100011216042_200000210301 [1,1,0,0,0,0|2,0,0]=4 3223 B10R1.25 CSc1ccc(cc1F)Cl 62a_200000210301_100011216042 [1,1,0,0,0,0|2,0,0]=4 3224 B10R1.25 CSc1ccc(cc1F)F 62a_100000750030_200000210301 [1,1,0,0,0,0|2,0,0]=4 3225 B10R1.25 CSc1ccc(cc1F)F 62a_200000210301_100000750030 [1,1,0,0,0,0|2,0,0]=4 3226 B10R1.25 CSc1ccc(cc1F)N 62a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3227 B10R1.25 CSc1ccc(cc1F)N 62a_200000210301_100011356925 [1,1,0,0,0,0|2,0,0]=4 3228 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|2,0,0]=4 3229 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|2,0,0]=4 3231 B10R1.25 CSc1ccc(cc1N)Br 62a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3232 B10R1.25 CSc1ccc(cc1N)Br 62a_200000210301_100000743836 [1,1,0,0,0,0|2,0,0]=4 3233 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3234 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,1,0,0,0,0|2,0,0]=4 3235 B10R1.25 CSc1ccc(cc1N)Cl 62a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B10R1.25 CSc1ccc(cc1N)Cl 62a_200000210301_100000761886 [1,1,0,0,0,0|2,0,0]=4 3237 B10R1.25 CSc1ccc(cc1N)F 62a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3238 B10R1.25 CSc1ccc(cc1N)F 62a_200000210301_100000687223 [1,1,0,0,0,0|2,0,0]=4 3239 B10R1.25 CSc1ccc(cc1N)N 62a_200000210301_200012175722 [1,1,0,0,0,0|2,0,0]=4 3240 B10R1.25 CSc1ccc(cc1N)N 62a_200012175722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3241 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3242 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|2,0,0]=4 3243 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3244 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,1,0,0,0,0|1,0,0]=3 3245 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,1,0,0,0,0|1,0,0]=3 3246 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3247 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,1,0,0,0,0|1,0,0]=3 3248 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3249 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,1,0,0,0,0|1,0,0]=3 3250 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,1,0,0,0,0|1,0,0]=3 3251 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3252 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,1,0,0,0,0|1,0,0]=3 3253 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|1,0,0]=3 3254 B10R1.25 CSc1ccc(nc1O)C 62a_100009817604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3255 B10R1.25 CSc1ccc(nc1O)C 62a_200000210301_100009817604 [1,1,0,0,0,0|2,0,0]=4 3256 B10R1.25 CSc1cnc(cc1O)C 62a_100011016184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3257 B10R1.25 CSc1cnc(cc1O)C 62a_200000210301_100011016184 [1,1,0,0,0,0|2,0,0]=4 3258 B10R1.25 CSc1ncc(cc1O)Br 62a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3259 B10R1.25 CSc1ncc(cc1O)Br 62a_200000210301_100010210634 [1,1,0,0,0,0|2,0,0]=4 3260 B10R1.25 CSc1ncc(cc1O)C 62a_200000210301_100012000487 [1,1,0,0,0,0|2,0,0]=4 3261 B10R1.25 CSc1ncc(cc1O)Cl 62a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3262 B10R1.25 CSc1ncc(cc1O)Cl 62a_200000210301_100010233512 [1,1,0,0,0,0|2,0,0]=4 3263 B10R1.25 CSc1ncc(cc1O)F 62a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3264 B10R1.25 CSc1ncc(cc1O)F 62a_200000210301_100000079967 [1,1,0,0,0,0|2,0,0]=4 3265 B10R1.25 Cc1cc(c(cn1)S[13CH3])O 62a_100011016184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B10R1.25 Cc1cc(c(cn1)S[13CH3])O 62a_200025704644_100011016184 [1,1,0,0,0,0|2,0,0]=4 3267 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|2,0,0]=4 3268 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|2,0,0]=4 3269 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|2,0,0]=4 3270 B10R1.25 Cc1cc(ccc1N[13CH3])Br 34a_100000211769_200025704644 [1,1,0,0,0,0|2,0,0]=4 3271 B10R1.25 Cc1cc(ccc1N[13CH3])Br 7a_100000211769_200025704644 [1,1,0,0,0,0|2,0,0]=4 3272 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 34a_100000210418_200025704644 [1,1,0,0,0,0|2,0,0]=4 3273 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 7a_100000210418_200025704644 [1,1,0,0,0,0|2,0,0]=4 3274 B10R1.25 Cc1cc(ccc1N[13CH3])F 34a_100000211637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3275 B10R1.25 Cc1cc(ccc1N[13CH3])F 7a_100000211637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3276 B10R1.25 Cc1cc(ccc1N[13CH3])I 34a_100000184554_200025704644 [1,1,0,0,0,0|2,0,0]=4 3277 B10R1.25 Cc1cc(ccc1N[13CH3])I 7a_100000184554_200025704644 [1,1,0,0,0,0|2,0,0]=4 3278 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|2,0,0]=4 3279 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [1,1,0,0,0,0|2,0,0]=4 3280 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [1,1,0,0,0,0|2,0,0]=4 3281 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3282 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3283 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [1,1,0,0,0,0|2,0,0]=4 3284 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [1,1,0,0,0,0|2,0,0]=4 3285 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [1,1,0,0,0,0|2,0,0]=4 3286 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [1,1,0,0,0,0|2,0,0]=4 3287 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3288 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3289 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [1,1,0,0,0,0|2,0,0]=4 3291 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [1,1,0,0,0,0|2,0,0]=4 3292 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [1,1,0,0,0,0|2,0,0]=4 3293 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [1,1,0,0,0,0|2,0,0]=4 3294 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [1,1,0,0,0,0|2,0,0]=4 3295 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,1,0,0,0,0|2,0,0]=4 3296 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,1,0,0,0,0|2,0,0]=4 3297 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|2,0,0]=4 3298 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,1,0,0,0,0|2,0,0]=4 3299 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,1,0,0,0,0|2,0,0]=4 3300 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,1,0,0,0,0|2,0,0]=4 3302 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,1,0,0,0,0|2,0,0]=4 3303 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,1,0,0,0,0|2,0,0]=4 3304 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,1,0,0,0,0|2,0,0]=4 3305 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,1,0,0,0,0|2,0,0]=4 3306 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,1,0,0,0,0|2,0,0]=4 3307 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3308 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,1,0,0,0,0|2,0,0]=4 3309 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,1,0,0,0,0|2,0,0]=4 3310 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,1,0,0,0,0|2,0,0]=4 3311 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,1,0,0,0,0|2,0,0]=4 3312 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,1,0,0,0,0|2,0,0]=4 3313 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,1,0,0,0,0|2,0,0]=4 3314 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3315 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,1,0,0,0,0|2,0,0]=4 3316 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,1,0,0,0,0|2,0,0]=4 3317 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,1,0,0,0,0|2,0,0]=4 3318 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,1,0,0,0,0|2,0,0]=4 3319 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3320 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3321 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3322 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,1,0,0,0,0|2,0,0]=4 3323 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,1,0,0,0,0|2,0,0]=4 3324 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3325 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,1,0,0,0,0|2,0,0]=4 3326 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,1,0,0,0,0|1,0,1]=4 3327 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|1,0,1]=4 3328 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,1,0,0,0,0|2,0,0]=4 3329 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 3330 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 3331 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,1,0,0,0,0|1,0,0]=3 3332 B10R1.25 Cc1ccc(c(n1)O)CO 271570a_203496583355_102495338573 [1,1,0,0,0,0|2,0,0]=4 3333 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_100009817604_200025704644 [1,1,0,0,0,0|2,0,0]=4 3334 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_200025704644_100009817604 [1,1,0,0,0,0|2,0,0]=4 3335 B10R1.25 Cc1cnc(c(c1)O)S[13CH3] 62a_200025704644_100012000487 [1,1,0,0,0,0|2,0,0]=4 3336 B10R1.25 N#Cc1ccc(cc1O)Br 271570a_203496583355_100010214477 [1,1,0,0,0,0|1,0,1]=4 3337 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,1,0,0,0,0|1,0,1]=4 3338 B10R1.25 N#Cc1ccc(cc1O)F 271570a_203496583355_100000747196 [1,1,0,0,0,0|1,0,1]=4 3339 B10R1.25 N#Cc1ccc(cc1O)N 271570a_203496583355_100000689153 [1,1,0,0,0,0|1,0,1]=4 3340 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|1,0,1]=4 3341 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|1,0,1]=4 3342 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,1,0,0,0,0|2,0,0]=4 3343 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|1,0,0]=3 3344 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|2,0,0]=4 3345 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|1,0,1]=4 3346 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|1,0,1]=4 3347 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|1,0,1]=4 3348 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|1,0,1]=4 3349 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|2,0,0]=4 3350 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|2,0,0]=4 3351 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|1,0,0]=3 3352 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|1,0,0]=3 3353 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|1,0,0]=3 3354 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|1,0,0]=3 3355 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|1,0,0]=3 3356 B10R1.25 [13CH3]Nc1ccc(cc1Br)Br 34a_100000211012_200025704644 [1,1,0,0,0,0|2,0,0]=4 3357 B10R1.25 [13CH3]Nc1ccc(cc1Br)Cl 34a_100000752454_200025704644 [1,1,0,0,0,0|2,0,0]=4 3358 B10R1.25 [13CH3]Nc1ccc(cc1Br)F 34a_100000738039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3359 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3360 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Br 34a_100000211467_200025704644 [1,1,0,0,0,0|2,0,0]=4 3361 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Cl 34a_100000185861_200025704644 [1,1,0,0,0,0|2,0,0]=4 3362 B10R1.25 [13CH3]Nc1ccc(cc1Cl)F 34a_100000212003_200025704644 [1,1,0,0,0,0|2,0,0]=4 3363 B10R1.25 [13CH3]Nc1ccc(cc1Cl)I 34a_100011218065_200025704644 [1,1,0,0,0,0|2,0,0]=4 3364 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 3365 B10R1.25 [13CH3]Nc1ccc(cc1F)Br 34a_100000210722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3366 B10R1.25 [13CH3]Nc1ccc(cc1F)Cl 34a_100000211020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3367 B10R1.25 [13CH3]Nc1ccc(cc1F)F 34a_100000210720_200025704644 [1,1,0,0,0,0|2,0,0]=4 3368 B10R1.25 [13CH3]Nc1ccc(cc1F)I 34a_100011215594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3369 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3370 B10R1.25 [13CH3]Nc1ccc(cc1I)Br 34a_100000187925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3371 B10R1.25 [13CH3]Nc1ccc(cc1I)Cl 34a_100000761889_200025704644 [1,1,0,0,0,0|2,0,0]=4 3372 B10R1.25 [13CH3]Nc1ccc(cc1I)F 34a_100000760547_200025704644 [1,1,0,0,0,0|2,0,0]=4 3373 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 3374 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 3375 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 3376 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 3377 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|1,0,0]=3 3378 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [1,1,0,0,0,0|2,0,0]=4 3379 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [1,1,0,0,0,0|2,0,0]=4 3380 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [1,1,0,0,0,0|2,0,0]=4 3381 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [1,1,0,0,0,0|2,0,0]=4 3382 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3383 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3384 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 3385 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [1,1,0,0,0,0|2,0,0]=4 3386 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 3387 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 3388 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3390 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [1,1,0,0,0,0|2,0,0]=4 3391 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [1,1,0,0,0,0|2,0,0]=4 3392 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [1,1,0,0,0,0|2,0,0]=4 3393 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [1,1,0,0,0,0|2,0,0]=4 3394 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 3395 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [1,1,0,0,0,0|2,0,0]=4 3396 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 3397 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 3398 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 3399 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [1,1,0,0,0,0|2,0,0]=4 3400 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [1,1,0,0,0,0|2,0,0]=4 3401 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [1,1,0,0,0,0|2,0,0]=4 3402 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [1,1,0,0,0,0|2,0,0]=4 3403 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [1,1,0,0,0,0|2,0,0]=4 3404 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [1,1,0,0,0,0|2,0,0]=4 3405 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [1,1,0,0,0,0|2,0,0]=4 3406 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3407 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3408 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [1,1,0,0,0,0|2,0,0]=4 3409 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 3417 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 3418 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 3419 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3420 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 3421 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,1,0,0,0,0|2,0,0]=4 3424 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_100011484698_200025704644 [1,1,0,0,0,0|2,0,0]=4 3425 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_200025704644_100011484698 [1,1,0,0,0,0|2,0,0]=4 3426 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_100011219703_200025704644 [1,1,0,0,0,0|2,0,0]=4 3427 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_200025704644_100011219703 [1,1,0,0,0,0|2,0,0]=4 3428 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_100011217111_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_200025704644_100011217111 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_100000750458_200025704644 [1,1,0,0,0,0|2,0,0]=4 3431 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_200025704644_100000750458 [1,1,0,0,0,0|2,0,0]=4 3432 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_100011216062_200025704644 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_200025704644_100011216062 [1,1,0,0,0,0|2,0,0]=4 3436 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_100000699841_200025704644 [1,1,0,0,0,0|2,0,0]=4 3437 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_200025704644_100000699841 [1,1,0,0,0,0|2,0,0]=4 3438 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_100000733362_200025704644 [1,1,0,0,0,0|2,0,0]=4 3439 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_200025704644_100000733362 [1,1,0,0,0,0|2,0,0]=4 3440 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_100000761885_200025704644 [1,1,0,0,0,0|2,0,0]=4 3441 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_200025704644_100000761885 [1,1,0,0,0,0|2,0,0]=4 3442 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|2,0,0]=4 3443 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|2,0,0]=4 3444 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_100009814013_200025704644 [1,1,0,0,0,0|2,0,0]=4 3445 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_200025704644_100009814013 [1,1,0,0,0,0|2,0,0]=4 3446 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_100011216042_200025704644 [1,1,0,0,0,0|2,0,0]=4 3447 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_200025704644_100011216042 [1,1,0,0,0,0|2,0,0]=4 3448 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_100000750030_200025704644 [1,1,0,0,0,0|2,0,0]=4 3449 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_200025704644_100000750030 [1,1,0,0,0,0|2,0,0]=4 3450 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3451 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_200025704644_100011356925 [1,1,0,0,0,0|2,0,0]=4 3452 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|2,0,0]=4 3453 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|2,0,0]=4 3454 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3455 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_200025704644_100000743836 [1,1,0,0,0,0|2,0,0]=4 3456 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 3457 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_200025704644_100000761886 [1,1,0,0,0,0|2,0,0]=4 3458 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3459 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_200025704644_100000687223 [1,1,0,0,0,0|2,0,0]=4 3460 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200012175722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3461 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200025704644_200012175722 [1,1,0,0,0,0|2,0,0]=4 3462 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3463 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|2,0,0]=4 3464 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 3465 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,1,0,0,0,0|1,0,0]=3 3466 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3467 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,1,0,0,0,0|1,0,0]=3 3468 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 3469 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,1,0,0,0,0|1,0,0]=3 3470 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|1,0,0]=3 3471 B10R1.25 [13CH3]Sc1ncc(cc1O)Br 62a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 3472 B10R1.25 [13CH3]Sc1ncc(cc1O)Br 62a_200025704644_100010210634 [1,1,0,0,0,0|2,0,0]=4 3473 B10R1.25 [13CH3]Sc1ncc(cc1O)Cl 62a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 3474 B10R1.25 [13CH3]Sc1ncc(cc1O)Cl 62a_200025704644_100010233512 [1,1,0,0,0,0|2,0,0]=4 3475 B10R1.25 [13CH3]Sc1ncc(cc1O)F 62a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 3476 B10R1.25 [13CH3]Sc1ncc(cc1O)F 62a_200025704644_100000079967 [1,1,0,0,0,0|2,0,0]=4 3477 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,1,0,0,0,0|0,0,2]=4 3478 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|0,0,2]=4 3479 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,1,0,0,0,0|0,0,2]=4 3480 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,1,0,0,0,0|0,0,2]=4 3481 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|0,0,2]=4 3482 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|0,0,2]=4 3483 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,1,0,0,0,0|1,0,0]=3 3484 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,1,0,0,0,0|1,0,0]=3 3485 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,1,0,0,0,0|1,0,0]=3 3486 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,1,0,0,0,0|0,0,0]=2 3487 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|0,0,0]=2 3488 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|0,0,0]=2 3489 B10R1.30 CCc1nc(ccc1N)O 271570a_203496583355_100009871203 [1,1,0,0,0,0|2,0,0]=4 3490 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [1,1,0,0,0,0|1,0,1]=4 3491 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,1,0,0,0,0|2,0,0]=4 3492 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,1,0,0,0,0|2,0,0]=4 3493 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,1,0,0,0,0|2,0,0]=4 3494 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3495 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3496 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3498 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,1,0,0,0,0|2,0,0]=4 3499 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,1,0,0,0,0|2,0,0]=4 3500 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,1,0,0,0,0|2,0,0]=4 3501 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,1,0,0,0,0|2,0,0]=4 3502 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,1,0,0,0,0|2,0,0]=4 3503 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3504 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3505 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3506 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,1,0,0,0,0|2,0,0]=4 3507 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,1,0,0,0,0|2,0,0]=4 3508 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3509 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,1,0,0,0,0|2,0,0]=4 3510 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3511 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3512 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3513 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3514 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3515 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,1,0,0,0,0|2,0,0]=4 3516 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3517 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,1,0,0,0,0|2,0,0]=4 3518 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3519 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,1,0,0,0,0|2,0,0]=4 3520 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3521 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3522 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3523 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3524 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,1,0,0,0,0|2,0,0]=4 3525 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,1,0,0,0,0|2,0,0]=4 3526 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3527 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3528 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|1,0,0]=3 3529 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,1,0,0,0,0|1,0,0]=3 3530 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3531 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,1,0,0,0,0|2,0,0]=4 3532 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,1,0,0,0,0|2,0,0]=4 3533 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,1,0,0,0,0|2,0,0]=4 3534 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,1,0,0,0,0|2,0,0]=4 3535 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3536 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3537 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,1,0,0,0,0|2,0,0]=4 3538 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,1,0,0,0,0|2,0,0]=4 3539 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 3540 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,1,0,0,0,0|2,0,0]=4 3541 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,1,0,0,0,0|2,0,0]=4 3542 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3543 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,1,0,0,0,0|2,0,0]=4 3544 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,1,0,0,0,0|2,0,0]=4 3545 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,1,0,0,0,0|2,0,0]=4 3546 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,1,0,0,0,0|2,0,0]=4 3547 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,1,0,0,0,0|2,0,0]=4 3548 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3549 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3550 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3551 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 3552 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,1,0,0,0,0|2,0,0]=4 3553 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,1,0,0,0,0|2,0,0]=4 3554 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3555 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3556 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,1,0,0,0,0|2,0,0]=4 3557 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,1,0,0,0,0|2,0,0]=4 3558 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3559 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3560 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3561 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3562 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 3563 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,1,0,0,0,0|2,0,0]=4 3564 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,1,0,0,0,0|2,0,0]=4 3565 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,1,0,0,0,0|2,0,0]=4 3566 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3567 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3568 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3569 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3570 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3571 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3572 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3573 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,1,0,0,0,0|2,0,0]=4 3574 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3575 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3576 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3577 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3578 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,1,0,0,0,0|2,0,0]=4 3579 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3581 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3582 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3583 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3584 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3585 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 3586 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,1,0,0,0,0|2,0,0]=4 3587 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3588 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|2,0,0]=4 3590 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,1,0,0,0,0|2,0,0]=4 3591 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,1,0,0,0,0|2,0,0]=4 3592 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,1,0,0,0,0|2,0,0]=4 3593 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3594 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,1,0,0,0,0|2,0,0]=4 3595 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,1,0,0,0,0|2,0,0]=4 3596 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,1,0,0,0,0|2,0,0]=4 3597 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,1,0,0,0,0|1,0,0]=3 3598 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,1,0,0,0,0|1,0,0]=3 3599 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,1,0,0,0,0|1,0,0]=3 3600 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,1,0,0,0,0|1,0,0]=3 3601 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|1,0,0]=3 3602 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|1,0,0]=3 3603 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|1,0,0]=3 3604 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,1,0,0,0,0|2,0,0]=4 3605 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,1,0,0,0,0|2,0,0]=4 3608 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,1,0,0,0,0|2,0,0]=4 3609 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,1,0,0,0,0|2,0,0]=4 3611 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,1,0,0,0,0|2,0,0]=4 3612 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,1,0,0,0,0|2,0,0]=4 3613 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,1,0,0,0,0|2,0,0]=4 3614 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,1,0,0,0,0|2,0,0]=4 3615 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,1,0,0,0,0|2,0,0]=4 3616 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,1,0,0,0,0|2,0,0]=4 3618 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3619 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,1,0,0,0,0|2,0,0]=4 3620 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3621 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,1,0,0,0,0|2,0,0]=4 3622 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,1,0,0,0,0|2,0,0]=4 3624 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3625 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,1,0,0,0,0|2,0,0]=4 3626 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,1,0,0,0,0|2,0,0]=4 3628 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,1,0,0,0,0|2,0,0]=4 3629 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,1,0,0,0,0|2,0,0]=4 3630 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,1,0,0,0,0|2,0,0]=4 3631 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,1,0,0,0,0|2,0,0]=4 3632 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,1,0,0,0,0|2,0,0]=4 3633 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,1,0,0,0,0|2,0,0]=4 3634 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 3635 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|2,0,0]=4 3637 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|2,0,0]=4 3638 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,1,0,0,0,0|2,0,0]=4 3644 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,1,0,0,0,0|2,0,0]=4 3645 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,1,0,0,0,0|2,0,0]=4 3646 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,1,0,0,0,0|2,0,0]=4 3647 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,1,0,0,0,0|2,0,0]=4 3648 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,1,0,0,0,0|2,0,0]=4 3649 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,1,0,0,0,0|2,0,0]=4 3651 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,1,0,0,0,0|2,0,0]=4 3652 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3653 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,1,0,0,0,0|2,0,0]=4 3654 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,1,0,0,0,0|2,0,0]=4 3655 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,1,0,0,0,0|2,0,0]=4 3656 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,1,0,0,0,0|2,0,0]=4 3657 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,1,0,0,0,0|2,0,0]=4 3658 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,1,0,0,0,0|2,0,0]=4 3660 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,1,0,0,0,0|2,0,0]=4 3661 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,1,0,0,0,0|2,0,0]=4 3663 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,1,0,0,0,0|2,0,0]=4 3665 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3666 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,1,0,0,0,0|2,0,0]=4 3667 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3668 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,1,0,0,0,0|2,0,0]=4 3669 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,1,0,0,0,0|2,0,0]=4 3670 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,1,0,0,0,0|2,0,0]=4 3671 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,1,0,0,0,0|2,0,0]=4 3672 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,1,0,0,0,0|2,0,0]=4 3673 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3674 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,1,0,0,0,0|2,0,0]=4 3675 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,1,0,0,0,0|1,0,0]=3 3676 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,1,0,0,0,0|1,0,0]=3 3677 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,1,0,0,0,0|1,0,0]=3 3678 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3679 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,1,0,0,0,0|1,0,0]=3 3680 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,1,0,0,0,0|1,0,0]=3 3681 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,1,0,0,0,0|1,0,0]=3 3682 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3683 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,1,0,0,0,0|1,0,0]=3 3684 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3685 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|1,0,0]=3 3686 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|1,0,0]=3 3687 B10R1.30 CSc1cc(cnc1O)Br 62a_100010197142_200000210301 [1,1,0,0,0,0|2,0,0]=4 3688 B10R1.30 CSc1cc(cnc1O)Br 62a_200000210301_100010197142 [1,1,0,0,0,0|2,0,0]=4 3689 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,1,0,0,0,0|2,0,0]=4 3690 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3691 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,1,0,0,0,0|2,0,0]=4 3692 B10R1.30 CSc1cc(cnc1O)Cl 62a_100010188700_200000210301 [1,1,0,0,0,0|2,0,0]=4 3693 B10R1.30 CSc1cc(cnc1O)Cl 62a_200000210301_100010188700 [1,1,0,0,0,0|2,0,0]=4 3694 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.30 CSc1cc(ncc1O)Cl 62a_100000698892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B10R1.30 CSc1cc(ncc1O)Cl 62a_200000210301_100000698892 [1,1,0,0,0,0|2,0,0]=4 3698 B10R1.30 CSc1nc(ccc1O)Br 62a_100010253912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3699 B10R1.30 CSc1nc(ccc1O)Br 62a_200000210301_100010253912 [1,1,0,0,0,0|2,0,0]=4 3700 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 3701 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,1,0,0,0,0|2,0,0]=4 3702 B10R1.30 CSc1nc(ccc1O)Cl 62a_200000210301_100000696390 [1,1,0,0,0,0|2,0,0]=4 3703 B10R1.30 CSc1nc(ccc1O)F 62a_100010382442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3704 B10R1.30 CSc1nc(ccc1O)F 62a_200000210301_100010382442 [1,1,0,0,0,0|2,0,0]=4 3705 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [1,1,0,0,0,0|2,0,0]=4 3706 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,1,0,0,0,0|2,0,0]=4 3707 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,1,0,0,0,0|2,0,0]=4 3708 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,1,0,0,0,0|1,0,1]=4 3709 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|1,0,1]=4 3710 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|1,0,0]=3 3711 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,1,0,0,0,0|2,0,0]=4 3712 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,1,0,0,0,0|2,0,0]=4 3713 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,1,0,0,0,0|2,0,0]=4 3714 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,1,0,0,0,0|2,0,0]=4 3715 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,1,0,0,0,0|2,0,0]=4 3716 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3718 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 3719 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,1,0,0,0,0|2,0,0]=4 3720 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,1,0,0,0,0|2,0,0]=4 3722 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,1,0,0,0,0|2,0,0]=4 3723 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,1,0,0,0,0|2,0,0]=4 3724 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,1,0,0,0,0|2,0,0]=4 3725 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3726 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3727 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3728 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3729 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3730 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,1,0,0,0,0|2,0,0]=4 3731 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,1,0,0,0,0|2,0,0]=4 3732 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,1,0,0,0,0|2,0,0]=4 3733 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,1,0,0,0,0|2,0,0]=4 3734 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,1,0,0,0,0|2,0,0]=4 3735 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3736 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,1,0,0,0,0|2,0,0]=4 3737 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3738 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,1,0,0,0,0|2,0,0]=4 3739 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3740 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,1,0,0,0,0|1,0,0]=3 3741 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [1,1,0,0,0,0|2,0,0]=4 3742 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 3743 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,1,0,0,0,0|2,0,0]=4 3744 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|2,0,0]=4 3745 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,1,0,0,0,0|2,0,0]=4 3746 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,1,0,0,0,0|2,0,0]=4 3747 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,1,0,0,0,0|2,0,0]=4 3748 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,1,0,0,0,0|2,0,0]=4 3749 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3750 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3751 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,1,0,0,0,0|2,0,0]=4 3752 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,1,0,0,0,0|2,0,0]=4 3753 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3754 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,1,0,0,0,0|2,0,0]=4 3755 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,1,0,0,0,0|2,0,0]=4 3756 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,1,0,0,0,0|2,0,0]=4 3757 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3758 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3759 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3760 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 3761 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,1,0,0,0,0|2,0,0]=4 3762 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3763 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,1,0,0,0,0|2,0,0]=4 3764 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,1,0,0,0,0|2,0,0]=4 3765 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,1,0,0,0,0|2,0,0]=4 3766 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,1,0,0,0,0|2,0,0]=4 3767 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,1,0,0,0,0|2,0,0]=4 3768 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3769 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|2,0,0]=4 3770 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|2,0,0]=4 3771 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|2,0,0]=4 3772 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [1,1,0,0,0,0|2,0,0]=4 3773 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3774 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,1,0,0,0,0|2,0,0]=4 3775 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,1,0,0,0,0|1,0,1]=4 3776 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,1,0,0,0,0|1,0,1]=4 3777 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,1,0,0,0,0|1,0,1]=4 3778 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,1,0,0,0,0|1,0,1]=4 3779 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,1,0,0,0,0|1,0,1]=4 3780 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,1,0,0,0,0|1,0,1]=4 3781 B10R1.30 NCc1cc(ccc1F)O 271570a_203496583355_100009815772 [1,1,0,0,0,0|2,0,0]=4 3782 B10R1.30 NCc1cc(ccc1N)O 271570a_203496583355_100012349119 [1,1,0,0,0,0|2,0,0]=4 3783 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,1,0,0,0,0|1,0,0]=3 3784 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,1,0,0,0,0|1,0,0]=3 3785 B10R1.30 NCc1cc(cnc1O)F 271570a_203496583355_100010760786 [1,1,0,0,0,0|2,0,0]=4 3786 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,1,0,0,0,0|2,0,0]=4 3787 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,1,0,0,0,0|1,0,0]=3 3788 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,1,0,0,0,0|2,0,0]=4 3789 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|1,0,1]=4 3790 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|1,0,1]=4 3791 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|1,0,1]=4 3792 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|1,0,1]=4 3793 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|1,0,1]=4 3794 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,1,0,0,0,0|2,0,0]=4 3795 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,1,0,0,0,0|2,0,0]=4 3796 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,1,0,0,0,0|2,0,0]=4 3797 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,1,0,0,0,0|1,0,0]=3 3798 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,1,0,0,0,0|1,0,0]=3 3799 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|1,0,0]=3 3800 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|1,0,0]=3 3801 B10R1.30 OCc1cc(cnc1O)F 271570a_203496583355_100000079972 [1,1,0,0,0,0|2,0,0]=4 3802 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [1,1,0,0,0,0|2,0,0]=4 3803 B10R1.30 OCc1nc(ccc1O)F 271570a_203496583355_100000701195 [1,1,0,0,0,0|2,0,0]=4 3804 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,1,0,0,0,0|2,0,0]=4 3805 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,1,0,0,0,0|2,0,0]=4 3806 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3807 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3808 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3809 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,1,0,0,0,0|2,0,0]=4 3810 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,1,0,0,0,0|2,0,0]=4 3811 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 3812 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 3813 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 3814 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,1,0,0,0,0|2,0,0]=4 3815 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,1,0,0,0,0|2,0,0]=4 3816 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,1,0,0,0,0|2,0,0]=4 3817 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 3818 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3819 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 3820 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3822 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|1,0,0]=3 3823 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3824 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,1,0,0,0,0|2,0,0]=4 3825 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3827 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,1,0,0,0,0|2,0,0]=4 3828 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,1,0,0,0,0|2,0,0]=4 3829 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,1,0,0,0,0|2,0,0]=4 3830 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 3831 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,1,0,0,0,0|2,0,0]=4 3832 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,1,0,0,0,0|2,0,0]=4 3833 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,1,0,0,0,0|2,0,0]=4 3834 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3835 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3836 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3837 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,1,0,0,0,0|2,0,0]=4 3838 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 3839 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,1,0,0,0,0|2,0,0]=4 3840 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,1,0,0,0,0|2,0,0]=4 3841 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3842 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3843 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3844 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3845 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,1,0,0,0,0|2,0,0]=4 3846 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,1,0,0,0,0|2,0,0]=4 3847 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3848 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3849 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3850 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3851 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3852 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3853 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3854 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3855 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3856 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3857 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 3858 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,1,0,0,0,0|2,0,0]=4 3859 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|2,0,0]=4 3860 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,1,0,0,0,0|2,0,0]=4 3862 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,1,0,0,0,0|2,0,0]=4 3863 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3864 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,1,0,0,0,0|2,0,0]=4 3865 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,1,0,0,0,0|2,0,0]=4 3866 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,1,0,0,0,0|2,0,0]=4 3867 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,1,0,0,0,0|2,0,0]=4 3868 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,1,0,0,0,0|2,0,0]=4 3869 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,1,0,0,0,0|2,0,0]=4 3870 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3871 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,1,0,0,0,0|2,0,0]=4 3872 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,1,0,0,0,0|2,0,0]=4 3873 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,1,0,0,0,0|2,0,0]=4 3874 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3875 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,1,0,0,0,0|2,0,0]=4 3876 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,1,0,0,0,0|2,0,0]=4 3877 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,1,0,0,0,0|2,0,0]=4 3878 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,1,0,0,0,0|2,0,0]=4 3879 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,1,0,0,0,0|2,0,0]=4 3880 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,1,0,0,0,0|2,0,0]=4 3881 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,1,0,0,0,0|2,0,0]=4 3882 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,1,0,0,0,0|2,0,0]=4 3883 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,1,0,0,0,0|2,0,0]=4 3884 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,1,0,0,0,0|2,0,0]=4 3885 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,1,0,0,0,0|2,0,0]=4 3886 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,1,0,0,0,0|2,0,0]=4 3887 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,1,0,0,0,0|2,0,0]=4 3888 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,1,0,0,0,0|2,0,0]=4 3889 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,1,0,0,0,0|2,0,0]=4 3890 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,1,0,0,0,0|2,0,0]=4 3891 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,1,0,0,0,0|2,0,0]=4 3892 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 3893 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,1,0,0,0,0|2,0,0]=4 3894 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,1,0,0,0,0|2,0,0]=4 3895 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,1,0,0,0,0|2,0,0]=4 3896 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3897 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,1,0,0,0,0|2,0,0]=4 3898 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,1,0,0,0,0|2,0,0]=4 3901 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,1,0,0,0,0|2,0,0]=4 3902 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,1,0,0,0,0|2,0,0]=4 3903 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,1,0,0,0,0|2,0,0]=4 3904 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3905 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,1,0,0,0,0|2,0,0]=4 3906 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,1,0,0,0,0|1,0,0]=3 3907 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,1,0,0,0,0|1,0,0]=3 3908 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,1,0,0,0,0|1,0,0]=3 3909 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,1,0,0,0,0|1,0,0]=3 3910 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3911 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,1,0,0,0,0|1,0,0]=3 3912 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|1,0,0]=3 3913 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|1,0,0]=3 3914 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|1,0,0]=3 3915 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_100010197142_200025704644 [1,1,0,0,0,0|2,0,0]=4 3916 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_200025704644_100010197142 [1,1,0,0,0,0|2,0,0]=4 3917 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_100010188700_200025704644 [1,1,0,0,0,0|2,0,0]=4 3918 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_200025704644_100010188700 [1,1,0,0,0,0|2,0,0]=4 3919 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_100000698892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3920 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_200025704644_100000698892 [1,1,0,0,0,0|2,0,0]=4 3921 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_100010253912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3922 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_200025704644_100010253912 [1,1,0,0,0,0|2,0,0]=4 3923 B10R1.30 [13CH3]Sc1nc(ccc1O)Cl 62a_200025704644_100000696390 [1,1,0,0,0,0|2,0,0]=4 3924 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_100010382442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3925 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_200025704644_100010382442 [1,1,0,0,0,0|2,0,0]=4 3926 B10R1.245 C=Cc1c(cccc1Br)O 271570a_100011290941_100010187912 [1,1,0,0,0,0|0,0,2]=4 3927 B10R1.245 C=Cc1c(cccc1Cl)O 271570a_100011290941_100000050174 [1,1,0,0,0,0|0,0,2]=4 3928 B10R1.245 C=Cc1c(cccc1F)O 271570a_100011290941_100009820682 [1,1,0,0,0,0|0,0,2]=4 3929 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [1,1,0,0,0,0|0,0,2]=4 3930 B10R1.245 C=Cc1c(cccc1O)N 271570a_100011290941_100012183704 [1,1,0,0,0,0|0,0,2]=4 3931 B10R1.245 C=Cc1c(cccc1O)O 271570a_100011290941_100010205330 [1,1,0,0,0,0|0,0,2]=4 3932 B10R1.245 CNc1c(cccc1Br)Br 34a_100000690995_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B10R1.245 CNc1c(cccc1Br)C 34a_100011834072_200000210301 [1,1,0,0,0,0|2,0,0]=4 3934 B10R1.245 CNc1c(cccc1Br)Cl 34a_100102946385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B10R1.245 CNc1c(cccc1Br)F 34a_100000684712_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B10R1.245 CNc1c(cccc1Br)O 34a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 3937 B10R1.245 CNc1c(cccc1C)C 34a_100000185769_200000210301 [1,1,0,0,0,0|2,0,0]=4 3938 B10R1.245 CNc1c(cccc1Cl)C 34a_100000756524_200000210301 [1,1,0,0,0,0|2,0,0]=4 3939 B10R1.245 CNc1c(cccc1Cl)Cl 34a_100000210028_200000210301 [1,1,0,0,0,0|2,0,0]=4 3940 B10R1.245 CNc1c(cccc1Cl)F 34a_100000760031_200000210301 [1,1,0,0,0,0|2,0,0]=4 3941 B10R1.245 CNc1c(cccc1Cl)O 34a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 3942 B10R1.245 CNc1c(cccc1F)C 34a_100000766463_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B10R1.245 CNc1c(cccc1F)F 2230a_100000210704_200000210301 [1,1,0,0,0,0|2,0,0]=4 3944 B10R1.245 CNc1c(cccc1F)F 34a_100000210704_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B10R1.245 CNc1c(cccc1F)O 34a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 3946 B10R1.245 CNc1c(cccc1I)F 34a_100000042321_200000210301 [1,1,0,0,0,0|2,0,0]=4 3947 B10R1.245 CNc1c(cccc1O)C 34a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 3948 B10R1.245 CNc1c(cccc1O)N 271570a_203496583355_100010510394 [1,1,0,0,0,0|1,0,0]=3 3949 B10R1.245 COc1c(cccc1Br)Br 34a_100000736428_200000210301 [1,1,0,0,0,0|2,0,0]=4 3950 B10R1.245 COc1c(cccc1Br)Br 7a_100000736428_200000210301 [1,1,0,0,0,0|2,0,0]=4 3951 B10R1.245 COc1c(cccc1Br)C 34a_100009817157_200000210301 [1,1,0,0,0,0|2,0,0]=4 3952 B10R1.245 COc1c(cccc1Br)C 7a_100009817157_200000210301 [1,1,0,0,0,0|2,0,0]=4 3953 B10R1.245 COc1c(cccc1Br)Cl 34a_100010214474_200000210301 [1,1,0,0,0,0|2,0,0]=4 3954 B10R1.245 COc1c(cccc1Br)Cl 7a_100010214474_200000210301 [1,1,0,0,0,0|2,0,0]=4 3955 B10R1.245 COc1c(cccc1Br)F 34a_100009813666_200000210301 [1,1,0,0,0,0|2,0,0]=4 3956 B10R1.245 COc1c(cccc1Br)F 7a_100009813666_200000210301 [1,1,0,0,0,0|2,0,0]=4 3957 B10R1.245 COc1c(cccc1Br)N 34a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 3958 B10R1.245 COc1c(cccc1Br)O 271570a_203496583355_100010146560 [1,1,0,0,0,0|1,0,0]=3 3959 B10R1.245 COc1c(cccc1C)C 34a_100000210341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3960 B10R1.245 COc1c(cccc1C)C 7a_100000210341_200000210301 [1,1,0,0,0,0|2,0,0]=4 3961 B10R1.245 COc1c(cccc1Cl)C 34a_100000033731_200000210301 [1,1,0,0,0,0|2,0,0]=4 3962 B10R1.245 COc1c(cccc1Cl)C 7a_100000033731_200000210301 [1,1,0,0,0,0|2,0,0]=4 3963 B10R1.245 COc1c(cccc1Cl)Cl 34a_100000211709_200000210301 [1,1,0,0,0,0|2,0,0]=4 3964 B10R1.245 COc1c(cccc1Cl)Cl 7a_100000211709_200000210301 [1,1,0,0,0,0|2,0,0]=4 3965 B10R1.245 COc1c(cccc1Cl)F 34a_100000694953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3966 B10R1.245 COc1c(cccc1Cl)F 7a_100000694953_200000210301 [1,1,0,0,0,0|2,0,0]=4 3967 B10R1.245 COc1c(cccc1Cl)N 34a_100000754742_200000210301 [1,1,0,0,0,0|2,0,0]=4 3968 B10R1.245 COc1c(cccc1Cl)O 271570a_203496583355_100010147678 [1,1,0,0,0,0|1,0,0]=3 3969 B10R1.245 COc1c(cccc1F)C 34a_100011659162_200000210301 [1,1,0,0,0,0|2,0,0]=4 3970 B10R1.245 COc1c(cccc1F)C 7a_100011659162_200000210301 [1,1,0,0,0,0|2,0,0]=4 3971 B10R1.245 COc1c(cccc1F)F 34a_100000230165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3972 B10R1.245 COc1c(cccc1F)F 7a_100000230165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3973 B10R1.245 COc1c(cccc1F)N 34a_100011934987_200000210301 [1,1,0,0,0,0|2,0,0]=4 3974 B10R1.245 COc1c(cccc1F)O 271570a_203496583355_100009816759 [1,1,0,0,0,0|1,0,0]=3 3975 B10R1.245 COc1c(cccc1I)Br 34a_100010084509_200000210301 [1,1,0,0,0,0|2,0,0]=4 3976 B10R1.245 COc1c(cccc1I)Br 7a_100010084509_200000210301 [1,1,0,0,0,0|2,0,0]=4 3977 B10R1.245 COc1c(cccc1I)Cl 34a_100010202889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3978 B10R1.245 COc1c(cccc1I)Cl 7a_100010202889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3979 B10R1.245 COc1c(cccc1I)F 34a_100010186298_200000210301 [1,1,0,0,0,0|2,0,0]=4 3980 B10R1.245 COc1c(cccc1I)F 7a_100010186298_200000210301 [1,1,0,0,0,0|2,0,0]=4 3981 B10R1.245 COc1c(cccc1I)N 34a_100010084371_200000210301 [1,1,0,0,0,0|2,0,0]=4 3982 B10R1.245 COc1c(cccc1N)C 34a_100000756359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3983 B10R1.245 COc1c(cccc1N)C 7a_100000756359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3984 B10R1.245 COc1c(cccc1N)N 34a_200016994477_200000210301 [1,1,0,0,0,0|2,0,0]=4 3985 B10R1.245 COc1c(cccc1O)C 271570a_203496583355_100010141385 [1,1,0,0,0,0|1,0,0]=3 3986 B10R1.245 COc1c(cccc1O)N 271570a_203496583355_100011935253 [1,1,0,0,0,0|1,0,0]=3 3987 B10R1.245 COc1c(cccc1O)O 271570a_203496583355_100010234590 [1,1,0,0,0,0|1,0,0]=3 3988 B10R1.245 COc1c(ccnc1C)O 271570a_203496583355_100000685116 [1,1,0,0,0,0|2,0,0]=4 3989 B10R1.245 COc1c(ccnc1Cl)O 271570a_203496583355_100010068014 [1,1,0,0,0,0|2,0,0]=4 3990 B10R1.245 COc1c(ccnc1N)O 271570a_203496583355_100009880012 [1,1,0,0,0,0|2,0,0]=4 3991 B10R1.245 COc1c(ccnc1O)N 271570a_203496583355_100000104429 [1,1,0,0,0,0|2,0,0]=4 3992 B10R1.245 COc1c(ccnc1O)O 271570a_203496583355_100000104430 [1,1,0,0,0,0|2,0,0]=4 3993 B10R1.245 COc1c(cncc1O)N 271570a_203496583355_100012359933 [1,1,0,0,0,0|2,0,0]=4 3994 B10R1.245 CSc1c(cccc1Br)Br 62a_100009994525_200000210301 [1,1,0,0,0,0|2,0,0]=4 3995 B10R1.245 CSc1c(cccc1Br)Br 62a_200000210301_100009994525 [1,1,0,0,0,0|2,0,0]=4 3996 B10R1.245 CSc1c(cccc1Br)C 62a_100010141302_200000210301 [1,1,0,0,0,0|2,0,0]=4 3997 B10R1.245 CSc1c(cccc1Br)C 62a_200000210301_100010141302 [1,1,0,0,0,0|2,0,0]=4 3998 B10R1.245 CSc1c(cccc1Br)Cl 62a_100010214488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3999 B10R1.245 CSc1c(cccc1Br)Cl 62a_200000210301_100010214488 [1,1,0,0,0,0|2,0,0]=4 4000 B10R1.245 CSc1c(cccc1Br)F 62a_100011219512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4001 B10R1.245 CSc1c(cccc1Br)F 62a_200000210301_100011219512 [1,1,0,0,0,0|2,0,0]=4 4002 B10R1.245 CSc1c(cccc1Br)N 62a_100020590159_200000210301 [1,1,0,0,0,0|2,0,0]=4 4003 B10R1.245 CSc1c(cccc1Br)N 62a_200000210301_100020590159 [1,1,0,0,0,0|2,0,0]=4 4004 B10R1.245 CSc1c(cccc1Br)O 62a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 4005 B10R1.245 CSc1c(cccc1Br)O 62a_200000210301_100010187912 [1,1,0,0,0,0|1,0,0]=3 4006 B10R1.245 CSc1c(cccc1C)C 62a_100000033847_200000210301 [1,1,0,0,0,0|2,0,0]=4 4007 B10R1.245 CSc1c(cccc1C)C 62a_200000210301_100000033847 [1,1,0,0,0,0|2,0,0]=4 4008 B10R1.245 CSc1c(cccc1Cl)C 62a_100000043165_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B10R1.245 CSc1c(cccc1Cl)C 62a_200000210301_100000043165 [1,1,0,0,0,0|2,0,0]=4 4010 B10R1.245 CSc1c(cccc1Cl)Cl 62a_100000034237_200000210301 [1,1,0,0,0,0|2,0,0]=4 4011 B10R1.245 CSc1c(cccc1Cl)Cl 62a_200000210301_100000034237 [1,1,0,0,0,0|2,0,0]=4 4012 B10R1.245 CSc1c(cccc1Cl)F 62a_100000050007_200000210301 [1,1,0,0,0,0|2,0,0]=4 4013 B10R1.245 CSc1c(cccc1Cl)F 62a_200000210301_100000050007 [1,1,0,0,0,0|2,0,0]=4 4014 B10R1.245 CSc1c(cccc1Cl)N 62a_100000049713_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B10R1.245 CSc1c(cccc1Cl)N 62a_200000210301_100000049713 [1,1,0,0,0,0|2,0,0]=4 4016 B10R1.245 CSc1c(cccc1Cl)O 62a_200000210301_100000050174 [1,1,0,0,0,0|1,0,0]=3 4017 B10R1.245 CSc1c(cccc1F)C 62a_100011218421_200000210301 [1,1,0,0,0,0|2,0,0]=4 4018 B10R1.245 CSc1c(cccc1F)C 62a_200000210301_100011218421 [1,1,0,0,0,0|2,0,0]=4 4019 B10R1.245 CSc1c(cccc1F)F 62a_100000693133_200000210301 [1,1,0,0,0,0|2,0,0]=4 4020 B10R1.245 CSc1c(cccc1F)F 62a_200000210301_100000693133 [1,1,0,0,0,0|2,0,0]=4 4021 B10R1.245 CSc1c(cccc1F)N 62a_100000690935_200000210301 [1,1,0,0,0,0|2,0,0]=4 4022 B10R1.245 CSc1c(cccc1F)N 62a_200000210301_100000690935 [1,1,0,0,0,0|2,0,0]=4 4023 B10R1.245 CSc1c(cccc1F)O 271570a_203496583355_200010709249 [1,1,0,0,0,0|1,0,0]=3 4024 B10R1.245 CSc1c(cccc1F)O 62a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 4025 B10R1.245 CSc1c(cccc1F)O 62a_200000210301_100009820682 [1,1,0,0,0,0|1,0,0]=3 4026 B10R1.245 CSc1c(cccc1N)C 62a_100000684715_200000210301 [1,1,0,0,0,0|2,0,0]=4 4027 B10R1.245 CSc1c(cccc1N)C 62a_200000210301_100000684715 [1,1,0,0,0,0|2,0,0]=4 4028 B10R1.245 CSc1c(cccc1O)C 62a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 4029 B10R1.245 CSc1c(cccc1O)C 62a_200000210301_100000686692 [1,1,0,0,0,0|1,0,0]=3 4030 B10R1.245 CSc1c(cccc1O)N 62a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 4031 B10R1.245 CSc1c(cccc1O)N 62a_200000210301_100012183704 [1,1,0,0,0,0|1,0,0]=3 4032 B10R1.245 CSc1c(cccc1O)O 62a_200000210301_100010205330 [1,1,0,0,0,0|1,0,0]=3 4033 B10R1.245 CSc1c(ccnc1O)C 62a_100012000493_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B10R1.245 CSc1c(ccnc1O)C 62a_200000210301_100012000493 [1,1,0,0,0,0|2,0,0]=4 4035 B10R1.245 CSc1c(ccnc1O)O 62a_200000210301_200009817435 [1,1,0,0,0,0|2,0,0]=4 4036 B10R1.245 Cc1cccc(c1C#N)O 271570a_203496583355_100009819585 [1,1,0,0,0,0|1,0,1]=4 4037 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,1,0,0,0,0|1,0,1]=4 4038 B10R1.245 Cc1cccc(c1N[13CH3])Br 34a_100011834072_200025704644 [1,1,0,0,0,0|2,0,0]=4 4039 B10R1.245 Cc1cccc(c1N[13CH3])C 34a_100000185769_200025704644 [1,1,0,0,0,0|2,0,0]=4 4040 B10R1.245 Cc1cccc(c1N[13CH3])Cl 34a_100000756524_200025704644 [1,1,0,0,0,0|2,0,0]=4 4041 B10R1.245 Cc1cccc(c1N[13CH3])F 34a_100000766463_200025704644 [1,1,0,0,0,0|2,0,0]=4 4042 B10R1.245 Cc1cccc(c1N[13CH3])O 34a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 4043 B10R1.245 Cc1cccc(c1O[13CH3])Br 34a_100009817157_200025704644 [1,1,0,0,0,0|2,0,0]=4 4044 B10R1.245 Cc1cccc(c1O[13CH3])Br 7a_100009817157_200025704644 [1,1,0,0,0,0|2,0,0]=4 4045 B10R1.245 Cc1cccc(c1O[13CH3])C 34a_100000210341_200025704644 [1,1,0,0,0,0|2,0,0]=4 4046 B10R1.245 Cc1cccc(c1O[13CH3])C 7a_100000210341_200025704644 [1,1,0,0,0,0|2,0,0]=4 4047 B10R1.245 Cc1cccc(c1O[13CH3])Cl 34a_100000033731_200025704644 [1,1,0,0,0,0|2,0,0]=4 4048 B10R1.245 Cc1cccc(c1O[13CH3])Cl 7a_100000033731_200025704644 [1,1,0,0,0,0|2,0,0]=4 4049 B10R1.245 Cc1cccc(c1O[13CH3])F 34a_100011659162_200025704644 [1,1,0,0,0,0|2,0,0]=4 4050 B10R1.245 Cc1cccc(c1O[13CH3])F 7a_100011659162_200025704644 [1,1,0,0,0,0|2,0,0]=4 4051 B10R1.245 Cc1cccc(c1O[13CH3])N 34a_100000756359_200025704644 [1,1,0,0,0,0|2,0,0]=4 4052 B10R1.245 Cc1cccc(c1O[13CH3])N 7a_100000756359_200025704644 [1,1,0,0,0,0|2,0,0]=4 4053 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_100010141302_200025704644 [1,1,0,0,0,0|2,0,0]=4 4054 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_200025704644_100010141302 [1,1,0,0,0,0|2,0,0]=4 4055 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_100000033847_200025704644 [1,1,0,0,0,0|2,0,0]=4 4056 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_200025704644_100000033847 [1,1,0,0,0,0|2,0,0]=4 4057 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_100000043165_200025704644 [1,1,0,0,0,0|2,0,0]=4 4058 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_200025704644_100000043165 [1,1,0,0,0,0|2,0,0]=4 4059 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_100011218421_200025704644 [1,1,0,0,0,0|2,0,0]=4 4060 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_200025704644_100011218421 [1,1,0,0,0,0|2,0,0]=4 4061 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_100000684715_200025704644 [1,1,0,0,0,0|2,0,0]=4 4062 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_200025704644_100000684715 [1,1,0,0,0,0|2,0,0]=4 4063 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 4064 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_200025704644_100000686692 [1,1,0,0,0,0|1,0,0]=3 4065 B10R1.245 Cc1ccnc(c1S[13CH3])O 62a_100012000493_200025704644 [1,1,0,0,0,0|2,0,0]=4 4066 B10R1.245 Cc1ccnc(c1S[13CH3])O 62a_200025704644_100012000493 [1,1,0,0,0,0|2,0,0]=4 4067 B10R1.245 N#Cc1c(cccc1Br)O 271570a_203496583355_100010071968 [1,1,0,0,0,0|1,0,1]=4 4068 B10R1.245 N#Cc1c(cccc1Cl)O 271570a_203496583355_200000049503 [1,1,0,0,0,0|1,0,1]=4 4069 B10R1.245 N#Cc1c(cccc1F)O 271570a_203496583355_100000699744 [1,1,0,0,0,0|1,0,1]=4 4070 B10R1.245 N#Cc1c(cccc1O)N 271570a_203496583355_100011935054 [1,1,0,0,0,0|1,0,1]=4 4071 B10R1.245 N#Cc1c(cccc1O)O 271570a_203496583355_100012180507 [1,1,0,0,0,0|1,0,1]=4 4072 B10R1.245 NCc1c(cccc1F)O 271570a_203496583355_100012349121 [1,1,0,0,0,0|1,0,0]=3 4073 B10R1.245 NNc1c(cccc1F)O 271570a_203496583355_100016994982 [1,1,0,0,0,0|2,0,0]=4 4074 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [1,1,0,0,0,0|1,0,1]=4 4075 B10R1.245 Nc1cccc(c1CO)O 271570a_203496583355_100000747656 [1,1,0,0,0,0|1,0,0]=3 4076 B10R1.245 O=Cc1c(cccc1Cl)O 271570a_203496583355_100010147682 [1,1,0,0,0,0|1,0,1]=4 4077 B10R1.245 O=Cc1c(cccc1F)O 271570a_203496583355_100000210083 [1,1,0,0,0,0|1,0,1]=4 4078 B10R1.245 O=Cc1c(cccc1O)O 271570a_203496583355_100009814793 [1,1,0,0,0,0|1,0,1]=4 4079 B10R1.245 OCc1c(cccc1F)O 271570a_203496583355_100012355691 [1,1,0,0,0,0|1,0,0]=3 4080 B10R1.245 OCc1c(ccnc1Cl)O 271570a_203496583355_100000047008 [1,1,0,0,0,0|2,0,0]=4 4081 B10R1.245 OCc1c(ccnc1F)O 271570a_203496583355_100000050056 [1,1,0,0,0,0|2,0,0]=4 4082 B10R1.245 [13CH3]Nc1c(cccc1Br)Br 34a_100000690995_200025704644 [1,1,0,0,0,0|2,0,0]=4 4083 B10R1.245 [13CH3]Nc1c(cccc1Br)Cl 34a_100102946385_200025704644 [1,1,0,0,0,0|2,0,0]=4 4084 B10R1.245 [13CH3]Nc1c(cccc1Br)F 34a_100000684712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4085 B10R1.245 [13CH3]Nc1c(cccc1Br)O 34a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 4086 B10R1.245 [13CH3]Nc1c(cccc1Cl)Cl 34a_100000210028_200025704644 [1,1,0,0,0,0|2,0,0]=4 4087 B10R1.245 [13CH3]Nc1c(cccc1Cl)F 34a_100000760031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4088 B10R1.245 [13CH3]Nc1c(cccc1Cl)O 34a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 4089 B10R1.245 [13CH3]Nc1c(cccc1F)F 2230a_100000210704_200025704644 [1,1,0,0,0,0|2,0,0]=4 4090 B10R1.245 [13CH3]Nc1c(cccc1F)F 34a_100000210704_200025704644 [1,1,0,0,0,0|2,0,0]=4 4091 B10R1.245 [13CH3]Nc1c(cccc1F)O 34a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 4092 B10R1.245 [13CH3]Nc1c(cccc1I)F 34a_100000042321_200025704644 [1,1,0,0,0,0|2,0,0]=4 4093 B10R1.245 [13CH3]Oc1c(cccc1Br)Br 34a_100000736428_200025704644 [1,1,0,0,0,0|2,0,0]=4 4094 B10R1.245 [13CH3]Oc1c(cccc1Br)Br 7a_100000736428_200025704644 [1,1,0,0,0,0|2,0,0]=4 4095 B10R1.245 [13CH3]Oc1c(cccc1Br)Cl 34a_100010214474_200025704644 [1,1,0,0,0,0|2,0,0]=4 4096 B10R1.245 [13CH3]Oc1c(cccc1Br)Cl 7a_100010214474_200025704644 [1,1,0,0,0,0|2,0,0]=4 4097 B10R1.245 [13CH3]Oc1c(cccc1Br)F 34a_100009813666_200025704644 [1,1,0,0,0,0|2,0,0]=4 4098 B10R1.245 [13CH3]Oc1c(cccc1Br)F 7a_100009813666_200025704644 [1,1,0,0,0,0|2,0,0]=4 4099 B10R1.245 [13CH3]Oc1c(cccc1Br)N 34a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 4100 B10R1.245 [13CH3]Oc1c(cccc1Cl)Cl 34a_100000211709_200025704644 [1,1,0,0,0,0|2,0,0]=4 4101 B10R1.245 [13CH3]Oc1c(cccc1Cl)Cl 7a_100000211709_200025704644 [1,1,0,0,0,0|2,0,0]=4 4102 B10R1.245 [13CH3]Oc1c(cccc1Cl)F 34a_100000694953_200025704644 [1,1,0,0,0,0|2,0,0]=4 4103 B10R1.245 [13CH3]Oc1c(cccc1Cl)F 7a_100000694953_200025704644 [1,1,0,0,0,0|2,0,0]=4 4104 B10R1.245 [13CH3]Oc1c(cccc1Cl)N 34a_100000754742_200025704644 [1,1,0,0,0,0|2,0,0]=4 4105 B10R1.245 [13CH3]Oc1c(cccc1F)F 34a_100000230165_200025704644 [1,1,0,0,0,0|2,0,0]=4 4106 B10R1.245 [13CH3]Oc1c(cccc1F)F 7a_100000230165_200025704644 [1,1,0,0,0,0|2,0,0]=4 4107 B10R1.245 [13CH3]Oc1c(cccc1F)N 34a_100011934987_200025704644 [1,1,0,0,0,0|2,0,0]=4 4108 B10R1.245 [13CH3]Oc1c(cccc1I)Br 34a_100010084509_200025704644 [1,1,0,0,0,0|2,0,0]=4 4109 B10R1.245 [13CH3]Oc1c(cccc1I)Br 7a_100010084509_200025704644 [1,1,0,0,0,0|2,0,0]=4 4110 B10R1.245 [13CH3]Oc1c(cccc1I)Cl 34a_100010202889_200025704644 [1,1,0,0,0,0|2,0,0]=4 4111 B10R1.245 [13CH3]Oc1c(cccc1I)Cl 7a_100010202889_200025704644 [1,1,0,0,0,0|2,0,0]=4 4112 B10R1.245 [13CH3]Oc1c(cccc1I)F 34a_100010186298_200025704644 [1,1,0,0,0,0|2,0,0]=4 4113 B10R1.245 [13CH3]Oc1c(cccc1I)F 7a_100010186298_200025704644 [1,1,0,0,0,0|2,0,0]=4 4114 B10R1.245 [13CH3]Oc1c(cccc1I)N 34a_100010084371_200025704644 [1,1,0,0,0,0|2,0,0]=4 4115 B10R1.245 [13CH3]Oc1c(cccc1N)N 34a_200016994477_200025704644 [1,1,0,0,0,0|2,0,0]=4 4116 B10R1.245 [13CH3]Sc1c(cccc1Br)Br 62a_100009994525_200025704644 [1,1,0,0,0,0|2,0,0]=4 4117 B10R1.245 [13CH3]Sc1c(cccc1Br)Br 62a_200025704644_100009994525 [1,1,0,0,0,0|2,0,0]=4 4118 B10R1.245 [13CH3]Sc1c(cccc1Br)Cl 62a_100010214488_200025704644 [1,1,0,0,0,0|2,0,0]=4 4119 B10R1.245 [13CH3]Sc1c(cccc1Br)Cl 62a_200025704644_100010214488 [1,1,0,0,0,0|2,0,0]=4 4120 B10R1.245 [13CH3]Sc1c(cccc1Br)F 62a_100011219512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4121 B10R1.245 [13CH3]Sc1c(cccc1Br)F 62a_200025704644_100011219512 [1,1,0,0,0,0|2,0,0]=4 4122 B10R1.245 [13CH3]Sc1c(cccc1Br)N 62a_100020590159_200025704644 [1,1,0,0,0,0|2,0,0]=4 4123 B10R1.245 [13CH3]Sc1c(cccc1Br)N 62a_200025704644_100020590159 [1,1,0,0,0,0|2,0,0]=4 4124 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 4125 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_200025704644_100010187912 [1,1,0,0,0,0|1,0,0]=3 4126 B10R1.245 [13CH3]Sc1c(cccc1Cl)Cl 62a_100000034237_200025704644 [1,1,0,0,0,0|2,0,0]=4 4127 B10R1.245 [13CH3]Sc1c(cccc1Cl)Cl 62a_200025704644_100000034237 [1,1,0,0,0,0|2,0,0]=4 4128 B10R1.245 [13CH3]Sc1c(cccc1Cl)F 62a_100000050007_200025704644 [1,1,0,0,0,0|2,0,0]=4 4129 B10R1.245 [13CH3]Sc1c(cccc1Cl)F 62a_200025704644_100000050007 [1,1,0,0,0,0|2,0,0]=4 4130 B10R1.245 [13CH3]Sc1c(cccc1Cl)N 62a_100000049713_200025704644 [1,1,0,0,0,0|2,0,0]=4 4131 B10R1.245 [13CH3]Sc1c(cccc1Cl)N 62a_200025704644_100000049713 [1,1,0,0,0,0|2,0,0]=4 4132 B10R1.245 [13CH3]Sc1c(cccc1Cl)O 62a_200025704644_100000050174 [1,1,0,0,0,0|1,0,0]=3 4133 B10R1.245 [13CH3]Sc1c(cccc1F)F 62a_100000693133_200025704644 [1,1,0,0,0,0|2,0,0]=4 4134 B10R1.245 [13CH3]Sc1c(cccc1F)F 62a_200025704644_100000693133 [1,1,0,0,0,0|2,0,0]=4 4135 B10R1.245 [13CH3]Sc1c(cccc1F)N 62a_100000690935_200025704644 [1,1,0,0,0,0|2,0,0]=4 4136 B10R1.245 [13CH3]Sc1c(cccc1F)N 62a_200025704644_100000690935 [1,1,0,0,0,0|2,0,0]=4 4137 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 4138 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_200025704644_100009820682 [1,1,0,0,0,0|1,0,0]=3 4139 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 4140 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_200025704644_100012183704 [1,1,0,0,0,0|1,0,0]=3 4141 B10R1.245 [13CH3]Sc1c(cccc1O)O 62a_200025704644_100010205330 [1,1,0,0,0,0|1,0,0]=3 4142 B10R1.245 [13CH3]Sc1c(ccnc1O)O 62a_200025704644_200009817435 [1,1,0,0,0,0|2,0,0]=4 4143 B10R1.59 CC(C)c1nc(sc1O)N 271570a_203496583355_100010209577 [0,1,0,0,1,0|2,0,0]=4 4144 B10R1.65 CC(C)(C)c1n[nH]cc1O 271570a_203496583355_100011471561 [0,1,0,0,1,0|2,0,0]=4 4145 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,1,0,0,1,0|2,0,0]=4 4146 B10R1.149 CNC(C)c1sccc1Br 269862a_106832991636_100000738688 [0,1,0,0,1,0|2,0,0]=4 4147 B12R1.75 C#Cc1ccccc1NC(C)C 34a_100011470550_100000210206 [0,1,0,0,0,1|1,0,0]=3 4148 B12R1.75 C#Cc1ccccc1OC(C)C 34a_200011470546_100000210206 [0,1,0,0,0,1|1,0,0]=3 4149 B12R1.75 C#Cc1ccccc1OC(C)C 7a_200011470546_100000210206 [0,1,0,0,0,1|1,0,0]=3 4150 B12R1.75 C=Cc1ccccc1CN(C)C 271570a_100011290941_100000174758 [0,1,0,0,0,1|2,0,0]=4 4151 B12R1.75 C=Cc1ccccc1NC(C)C 271570a_100011290941_100000219599 [0,1,0,0,0,1|1,0,0]=3 4152 B12R1.75 C=Cc1ccccc1NC(C)C 34a_100012022501_100000210206 [0,1,0,0,0,1|1,0,0]=3 4153 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [0,1,0,0,0,1|1,0,0]=3 4154 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100000210206_100011218376 [0,1,0,0,0,1|1,0,0]=3 4155 B12R1.75 C=Cc1ccccc1SC(C)C 62a_100011218376_100000210206 [0,1,0,0,0,1|1,0,0]=3 4156 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,1,0,0,0,1|2,0,0]=4 4157 B12R1.75 CC(=Cc1ccccc1C#N)C 271570a_100102525489_100000188569 [0,1,0,0,0,1|1,0,1]=4 4158 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,1,0,0,0,1|0,0,2]=4 4159 B12R1.75 CC(=Cc1ccccc1CN)C 271570a_100102525489_100000689332 [0,1,0,0,0,1|1,0,1]=4 4160 B12R1.75 CC(=Cc1ccccc1CO)C 271570a_100102525489_100000187465 [0,1,0,0,0,1|0,0,1]=3 4161 B12R1.75 CC(=Cc1ccccc1NN)C 271570a_100102525489_100000241748 [0,1,0,0,0,1|1,0,1]=4 4162 B12R1.75 CC(=Cc1cccnc1CO)C 271570a_100102525489_100011996772 [0,1,0,0,0,1|1,0,1]=4 4163 B12R1.75 CC(=Cc1ccncc1CO)C 271570a_100102525489_100000117392 [0,1,0,0,0,1|1,0,1]=4 4164 B12R1.75 CC(=Cc1cnccc1CO)C 271570a_100102525489_100009873359 [0,1,0,0,0,1|1,0,1]=4 4165 B12R1.75 CC(=Cc1ncccc1CO)C 271570a_100102525489_100000748726 [0,1,0,0,0,1|1,0,1]=4 4166 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,0,0,0,1|1,0,1]=4 4167 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,0,0,0,1|1,0,1]=4 4168 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,0,1|1,0,1]=4 4169 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,0,1|1,0,1]=4 4170 B12R1.75 CC(C)Nc1ccccc1C#N 34a_100000211148_100000210206 [0,1,0,0,0,1|1,0,0]=3 4171 B12R1.75 CC(C)Nc1ccccc1CO 34a_100000212039_100000210206 [0,1,0,0,0,1|0,0,0]=2 4172 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,1,0,0,0,1|0,1,0]=3 4173 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,1,0,0,0,1|0,1,0]=3 4174 B12R1.75 CC(C)Nc1ccncc1C#N 27a_100138425928_100000687039 [0,1,0,0,0,1|2,0,0]=4 4175 B12R1.75 CC(C)Nc1ccncc1CO 27a_100138425928_100000117392 [0,1,0,0,0,1|1,0,0]=3 4176 B12R1.75 CC(C)Nc1cnccc1C#N 27a_100138425928_100000684818 [0,1,0,0,0,1|2,0,0]=4 4177 B12R1.75 CC(C)Nc1ncccc1C#N 27a_100138425928_100000211984 [0,1,0,0,0,1|2,0,0]=4 4178 B12R1.75 CC(C)Oc1ccccc1C#N 34a_100000211048_100000210206 [0,1,0,0,0,1|1,0,0]=3 4179 B12R1.75 CC(C)Oc1ccccc1C#N 7a_100000211048_100000210206 [0,1,0,0,0,1|1,0,0]=3 4180 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,1,0,0,0,1|1,0,0]=3 4181 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,1,0,0,0,1|0,0,0]=2 4182 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,1,0,0,0,1|1,0,0]=3 4183 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,1,0,0,0,1|1,0,0]=3 4184 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,1,0,0,0,1|0,0,0]=2 4185 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,1,0,0,0,1|0,0,0]=2 4186 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,1,0,0,0,1|0,1,0]=3 4187 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,1,0,0,0,1|0,1,0]=3 4188 B12R1.75 CC(C)Oc1cccnc1C#N 34a_100000722750_100000210206 [0,1,0,0,0,1|2,0,0]=4 4189 B12R1.75 CC(C)Oc1cccnc1C#N 7a_100000722750_100000210206 [0,1,0,0,0,1|2,0,0]=4 4190 B12R1.75 CC(C)Oc1cccnc1CBr 34a_200020655725_100000210206 [0,1,0,0,0,1|2,0,0]=4 4191 B12R1.75 CC(C)Oc1cccnc1CBr 7a_200020655725_100000210206 [0,1,0,0,0,1|2,0,0]=4 4192 B12R1.75 CC(C)Oc1cccnc1CO 34a_100000731849_100000210206 [0,1,0,0,0,1|1,0,0]=3 4193 B12R1.75 CC(C)Oc1cnccc1C#N 7a_100012181322_100000210206 [0,1,0,0,0,1|2,0,0]=4 4194 B12R1.75 CC(C)Oc1cnccc1CO 34a_100000078615_100000210206 [0,1,0,0,0,1|1,0,0]=3 4195 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,1,0,0,0,1|1,1,0]=4 4196 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,1,0,0,0,1|1,1,0]=4 4197 B12R1.75 CC(C)Sc1ccccc1C#N 62a_100000210206_100000188569 [0,1,0,0,0,1|1,0,0]=3 4198 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210073_100000210206 [0,1,0,0,0,1|0,0,1]=3 4199 B12R1.75 CC(C)Sc1ccccc1C=O 62a_100000210206_100000210073 [0,1,0,0,0,1|0,0,1]=3 4200 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000210206_100000689332 [0,1,0,0,0,1|1,0,0]=3 4201 B12R1.75 CC(C)Sc1ccccc1CN 62a_100000689332_100000210206 [0,1,0,0,0,1|1,0,0]=3 4202 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000187465_100000210206 [0,1,0,0,0,1|0,0,0]=2 4203 B12R1.75 CC(C)Sc1ccccc1CO 62a_100000210206_100000187465 [0,1,0,0,0,1|0,0,0]=2 4204 B12R1.75 CC(C)Sc1ccccc1NN 62a_100000210206_100000241748 [0,1,0,0,0,1|1,0,0]=3 4205 B12R1.75 CC(C)Sc1ccccc1NN 62a_100000241748_100000210206 [0,1,0,0,0,1|1,0,0]=3 4206 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,1,0,0,0,1|1,0,0]=3 4207 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,1,0,0,0,1|1,0,0]=3 4208 B12R1.75 CC(C)Sc1cccnc1C#N 62a_100000210206_100000685805 [0,1,0,0,0,1|2,0,0]=4 4209 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100000210206_100011934733 [0,1,0,0,0,1|1,0,1]=4 4210 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100011934733_100000210206 [0,1,0,0,0,1|1,0,1]=4 4211 B12R1.75 CC(C)Sc1cccnc1CN 62a_100000210206_100020591323 [0,1,0,0,0,1|2,0,0]=4 4212 B12R1.75 CC(C)Sc1cccnc1CN 62a_100020591323_100000210206 [0,1,0,0,0,1|2,0,0]=4 4213 B12R1.75 CC(C)Sc1cccnc1CO 62a_100000210206_100011996772 [0,1,0,0,0,1|1,0,0]=3 4214 B12R1.75 CC(C)Sc1cccnc1CO 62a_100011996772_100000210206 [0,1,0,0,0,1|1,0,0]=3 4215 B12R1.75 CC(C)Sc1cccnc1NN 62a_100000210206_100011464834 [0,1,0,0,0,1|2,0,0]=4 4216 B12R1.75 CC(C)Sc1cccnc1NN 62a_100011464834_100000210206 [0,1,0,0,0,1|2,0,0]=4 4217 B12R1.75 CC(C)Sc1ccncc1C#N 62a_100000210206_100000687039 [0,1,0,0,0,1|2,0,0]=4 4218 B12R1.75 CC(C)Sc1ccncc1C=O 62a_100000050567_100000210206 [0,1,0,0,0,1|1,0,1]=4 4219 B12R1.75 CC(C)Sc1ccncc1C=O 62a_100000210206_100000050567 [0,1,0,0,0,1|1,0,1]=4 4220 B12R1.75 CC(C)Sc1ccncc1CO 62a_100000117392_100000210206 [0,1,0,0,0,1|1,0,0]=3 4221 B12R1.75 CC(C)Sc1ccncc1CO 62a_100000210206_100000117392 [0,1,0,0,0,1|1,0,0]=3 4222 B12R1.75 CC(C)Sc1cnccc1C#N 62a_100000210206_100000684818 [0,1,0,0,0,1|2,0,0]=4 4223 B12R1.75 CC(C)Sc1cnccc1C=O 62a_100000210206_100011934409 [0,1,0,0,0,1|1,0,1]=4 4224 B12R1.75 CC(C)Sc1cnccc1C=O 62a_100011934409_100000210206 [0,1,0,0,0,1|1,0,1]=4 4225 B12R1.75 CC(C)Sc1cnccc1CN 62a_100000210206_100020640021 [0,1,0,0,0,1|2,0,0]=4 4226 B12R1.75 CC(C)Sc1cnccc1CN 62a_100020640021_100000210206 [0,1,0,0,0,1|2,0,0]=4 4227 B12R1.75 CC(C)Sc1cnccc1CO 62a_100000210206_100009873359 [0,1,0,0,0,1|1,0,0]=3 4228 B12R1.75 CC(C)Sc1cnccc1CO 62a_100009873359_100000210206 [0,1,0,0,0,1|1,0,0]=3 4229 B12R1.75 CC(C)Sc1cnccc1NN 62a_100000210206_100013404636 [0,1,0,0,0,1|2,0,0]=4 4230 B12R1.75 CC(C)Sc1cnccc1NN 62a_100013404636_100000210206 [0,1,0,0,0,1|2,0,0]=4 4231 B12R1.75 CC(C)Sc1ncccc1C#N 62a_100000210206_100000211984 [0,1,0,0,0,1|2,0,0]=4 4232 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [0,1,0,0,0,1|1,0,1]=4 4233 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [0,1,0,0,0,1|1,0,1]=4 4234 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,1,0,0,0,1|2,0,0]=4 4235 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,1,0,0,0,1|2,0,0]=4 4236 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,1,0,0,0,1|1,0,0]=3 4237 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,1,0,0,0,1|1,0,0]=3 4238 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,1,0,0,0,1|2,0,0]=4 4239 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,1,0,0,0,1|2,0,0]=4 4240 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,1,0,0,0,1|1,0,1]=4 4241 B12R1.75 CCc1ccccc1CN(C)C 270004a_100102631434_100011219594 [0,1,0,0,0,1|2,0,0]=4 4242 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,1,0,0,0,1|1,0,0]=3 4243 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,1,0,0,0,1|1,0,0]=3 4244 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,1,0,0,0,1|1,0,0]=3 4245 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,1,0,0,0,1|1,0,0]=3 4246 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,1,0,0,0,1|1,0,0]=3 4247 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,1,0,0,0,1|1,0,0]=3 4248 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,1,0,0,0,1|1,0,0]=3 4249 B12R1.75 CCc1ccncc1SC(C)C 62a_100000210206_100009819861 [0,1,0,0,0,1|2,0,0]=4 4250 B12R1.75 CCc1ccncc1SC(C)C 62a_100009819861_100000210206 [0,1,0,0,0,1|2,0,0]=4 4251 B12R1.75 CCc1cnccc1SC(C)C 62a_100000210206_100025704421 [0,1,0,0,0,1|2,0,0]=4 4252 B12R1.75 CCc1cnccc1SC(C)C 62a_100025704421_100000210206 [0,1,0,0,0,1|2,0,0]=4 4253 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,1,0,0,0,1|2,0,0]=4 4254 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,1,0,0,0,1|2,0,0]=4 4255 B12R1.75 CN(C)Cc1ccccc1C#N 2230a_100000225633_200000210301 [0,1,0,0,0,1|2,0,0]=4 4256 B12R1.75 CN(C)Cc1ccccc1C#N 2230a_100102631434_100000181865 [0,1,0,0,0,1|2,0,0]=4 4257 B12R1.75 CN(C)Cc1ccccc1C#N 269982a_100000225633_200000210301 [0,1,0,0,0,1|2,0,0]=4 4258 B12R1.75 CN(C)Cc1ccccc1C#N 269982a_100102631434_100000181865 [0,1,0,0,0,1|2,0,0]=4 4259 B12R1.75 CN(C)Cc1ccccc1C=O 2230a_100102631434_200009853537 [0,1,0,0,0,1|1,0,1]=4 4260 B12R1.75 CN(C)Cc1ccccc1C=O 269982a_100102631434_200009853537 [0,1,0,0,0,1|1,0,1]=4 4261 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100000044721_200000210301 [0,1,0,0,0,1|1,0,0]=3 4262 B12R1.75 CN(C)Cc1ccccc1CO 2230a_100102631434_100009816955 [0,1,0,0,0,1|1,0,0]=3 4263 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100000044721_200000210301 [0,1,0,0,0,1|1,0,0]=3 4264 B12R1.75 CN(C)Cc1ccccc1CO 269982a_100102631434_100009816955 [0,1,0,0,0,1|1,0,0]=3 4265 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,1,0,0,0,1|1,1,0]=4 4266 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,1,0,0,0,1|1,1,0]=4 4267 B12R1.75 CN([13CH3])Cc1ccccc1C#N 2230a_100000225633_200025704644 [0,1,0,0,0,1|2,0,0]=4 4268 B12R1.75 CN([13CH3])Cc1ccccc1C#N 269982a_100000225633_200025704644 [0,1,0,0,0,1|2,0,0]=4 4269 B12R1.75 CN([13CH3])Cc1ccccc1CO 2230a_100000044721_200025704644 [0,1,0,0,0,1|1,0,0]=3 4270 B12R1.75 CN([13CH3])Cc1ccccc1CO 269982a_100000044721_200025704644 [0,1,0,0,0,1|1,0,0]=3 4271 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,1,0,0,0,1|1,0,1]=4 4272 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,1,0,0,0,1|1,0,0]=3 4273 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,1,0,0,0,1|1,0,0]=3 4274 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,1,0,0,0,1|1,0,0]=3 4275 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,1,0,0,0,1|1,0,0]=3 4276 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,1,0,0,0,1|1,0,0]=3 4277 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,1,0,0,0,1|1,0,0]=3 4278 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,1,0,0,0,1|1,0,0]=3 4279 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,1,0,0,0,1|2,0,0]=4 4280 B12R1.75 CNc1ccncc1SC(C)C 62a_100000210206_100010069531 [0,1,0,0,0,1|2,0,0]=4 4281 B12R1.75 CNc1ccncc1SC(C)C 62a_100010069531_100000210206 [0,1,0,0,0,1|2,0,0]=4 4282 B12R1.75 CNc1ncccc1SC(C)C 62a_100000210206_100000700899 [0,1,0,0,0,1|2,0,0]=4 4283 B12R1.75 CNc1ncccc1SC(C)C 62a_100000700899_100000210206 [0,1,0,0,0,1|2,0,0]=4 4284 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,0,0,0,1|0,0,1]=3 4285 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,0,1|1,0,1]=4 4286 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,0,1|1,0,1]=4 4287 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,0,1|1,0,1]=4 4288 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,1,0,0,0,1|1,0,0]=3 4289 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,1,0,0,0,1|1,0,0]=3 4290 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,1,0,0,0,1|1,0,0]=3 4291 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,1,0,0,0,1|1,0,0]=3 4292 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,1,0,0,0,1|1,0,0]=3 4293 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,1,0,0,0,1|1,0,0]=3 4294 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,1,0,0,0,1|1,0,0]=3 4295 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,0,1|1,0,1]=4 4296 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,0,1|1,0,1]=4 4297 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,0,1|1,0,1]=4 4298 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,0,1|1,0,1]=4 4299 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,0,1|1,0,1]=4 4300 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,0,1|1,0,1]=4 4301 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,1,0,0,0,1|0,0,0]=2 4302 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,1,0,0,0,1|0,0,0]=2 4303 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,1,0,0,0,1|0,0,0]=2 4304 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,1,0,0,0,1|0,0,0]=2 4305 B12R1.75 COc1ccccc1OC(F)F 34a_100000752575_200000210301 [0,1,0,0,0,1|2,0,0]=4 4306 B12R1.75 COc1ccccc1OC(F)F 7a_100000752575_200000210301 [0,1,0,0,0,1|2,0,0]=4 4307 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,1,0,0,0,1|0,0,0]=2 4308 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,1,0,0,0,1|0,0,0]=2 4309 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,1,0,0,0,1|1,0,1]=4 4310 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,1,0,0,0,1|2,0,0]=4 4311 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,1,0,0,0,1|1,0,0]=3 4312 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,1,0,0,0,1|1,0,0]=3 4313 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,1,0,0,0,1|1,0,0]=3 4314 B12R1.75 COc1ccncc1C=C(C)C 271570a_100102525489_100011997281 [0,1,0,0,0,1|1,0,1]=4 4315 B12R1.75 COc1ccncc1CN(C)C 270004a_100102631434_200011997045 [0,1,0,0,0,1|2,0,0]=4 4316 B12R1.75 COc1ccncc1OC(C)C 34a_100000101186_100000210206 [0,1,0,0,0,1|1,0,0]=3 4317 B12R1.75 COc1ccncc1SC(C)C 62a_100000210206_100011997281 [0,1,0,0,0,1|1,0,0]=3 4318 B12R1.75 COc1ccncc1SC(C)C 62a_100011997281_100000210206 [0,1,0,0,0,1|1,0,0]=3 4319 B12R1.75 COc1cnccc1C=C(C)C 271570a_100102525489_100016988167 [0,1,0,0,0,1|1,0,1]=4 4320 B12R1.75 COc1cnccc1CN(C)C 2230a_100102631434_100020635607 [0,1,0,0,0,1|2,0,0]=4 4321 B12R1.75 COc1cnccc1CN(C)C 270004a_100102631434_100011361505 [0,1,0,0,0,1|2,0,0]=4 4322 B12R1.75 COc1cnccc1SC(C)C 62a_100000210206_100016988167 [0,1,0,0,0,1|1,0,0]=3 4323 B12R1.75 COc1cnccc1SC(C)C 62a_100016988167_100000210206 [0,1,0,0,0,1|1,0,0]=3 4324 B12R1.75 COc1cncnc1NC(C)C 27a_100138425928_100012001275 [0,1,0,0,0,1|2,0,0]=4 4325 B12R1.75 COc1cncnc1SC(C)C 62a_100000210206_100012001275 [0,1,0,0,0,1|2,0,0]=4 4326 B12R1.75 COc1cncnc1SC(C)C 62a_100012001275_100000210206 [0,1,0,0,0,1|2,0,0]=4 4327 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,1,0,0,0,1|1,0,1]=4 4328 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,1,0,0,0,1|2,0,0]=4 4329 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,1,0,0,0,1|2,0,0]=4 4330 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,1,0,0,0,1|1,0,0]=3 4331 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,1,0,0,0,1|1,0,0]=3 4332 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,1,0,0,0,1|1,0,0]=3 4333 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,1,0,0,0,1|1,0,0]=3 4334 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,1,0,0,0,1|2,0,0]=4 4335 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,1,0,0,0,1|2,0,0]=4 4336 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,1,0,0,0,1|2,0,0]=4 4337 B12R1.75 COc1ncncc1SC(C)C 62a_100000210206_100000719902 [0,1,0,0,0,1|2,0,0]=4 4338 B12R1.75 COc1ncncc1SC(C)C 62a_100000719902_100000210206 [0,1,0,0,0,1|2,0,0]=4 4339 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,1,0,0,0,1|0,1,1]=4 4340 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,1,0,0,0,1|1,1,0]=4 4341 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,1,0,0,0,1|1,1,0]=4 4342 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,1,0,0,0,1|1,1,0]=4 4343 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,1,0,0,0,1|1,1,0]=4 4344 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,1,0,0,0,1|1,1,0]=4 4345 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,1,0,0,0,1|0,1,0]=3 4346 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,1,0,0,0,1|0,1,0]=3 4347 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,1,0,0,0,1|0,1,0]=3 4348 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,1,0,0,0,1|0,1,0]=3 4349 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,1,0,0,0,1|0,1,0]=3 4350 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,1,0,0,0,1|0,1,0]=3 4351 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,1,0,0,0,1|0,1,0]=3 4352 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,1,0,0,0,1|0,1,0]=3 4353 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,1,0,0,0,1|1,1,0]=4 4354 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,1,0,0,0,1|1,1,0]=4 4355 B12R1.75 CSc1ncccc1SC(C)C 62a_100000210206_100011465278 [0,1,0,0,0,1|1,1,0]=4 4356 B12R1.75 CSc1ncccc1SC(C)C 62a_100011465278_100000210206 [0,1,0,0,0,1|1,1,0]=4 4357 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 34a_100000752575_200025704644 [0,1,0,0,0,1|2,0,0]=4 4358 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 7a_100000752575_200025704644 [0,1,0,0,0,1|2,0,0]=4 4359 B12R1.124 CC(=C(C)c1ccccc1Br)C 271570a_200000049429_100000695589 [0,1,0,0,0,1|1,0,1]=4 4360 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [0,1,0,0,0,1|1,0,1]=4 4361 B12R1.124 CC(=C(C)c1ccccc1Cl)C 271570a_200000049429_100000764095 [0,1,0,0,0,1|1,0,1]=4 4362 B12R1.124 CC(=C(C)c1ccccc1F)C 271570a_200000049429_100011215700 [0,1,0,0,0,1|1,0,1]=4 4363 B12R1.124 CC(=C(C)c1ccccc1N)C 271570a_200000049429_100000210017 [0,1,0,0,0,1|1,0,1]=4 4364 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,0,1|0,0,1]=3 4365 B12R1.124 CC(=C(C)c1ccncc1O)C 271570a_200000049429_100009817591 [0,1,0,0,0,1|1,0,1]=4 4366 B12R1.124 CC(=C(C)c1ncccc1O)C 271570a_200000049429_100000034122 [0,1,0,0,0,1|1,0,1]=4 4367 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,0,1|1,0,1]=4 4368 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,0,1|1,0,1]=4 4369 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [0,1,0,0,0,1|1,0,0]=3 4370 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [0,1,0,0,0,1|1,0,0]=3 4371 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [0,1,0,0,0,1|1,0,0]=3 4372 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [0,1,0,0,0,1|1,0,0]=3 4373 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [0,1,0,0,0,1|0,0,0]=2 4374 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [0,1,0,0,0,1|0,0,1]=3 4375 B12R1.124 CC(C)N(C)c1ccccc1Br 2230a_100020606079_100000210206 [0,1,0,0,0,1|1,0,0]=3 4376 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100000219599_200000210301 [0,1,0,0,0,1|1,0,0]=3 4377 B12R1.124 CC(C)N(C)c1ccccc1Br 269982a_100020606079_100000210206 [0,1,0,0,0,1|1,0,0]=3 4378 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100000219599_200000210301 [0,1,0,0,0,1|1,0,0]=3 4379 B12R1.124 CC(C)N(C)c1ccccc1Br 34a_100020606079_100000210206 [0,1,0,0,0,1|1,0,0]=3 4380 B12R1.124 CC(C)N(C)c1ccccc1Br 7a_100000219599_200000210301 [0,1,0,0,0,1|1,0,0]=3 4381 B12R1.124 CC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000210206 [0,1,0,0,0,1|1,0,0]=3 4382 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000210206 [0,1,0,0,0,1|1,0,0]=3 4383 B12R1.124 CC(C)N(C)c1ccccc1Cl 269982a_100000219376_200000210301 [0,1,0,0,0,1|1,0,0]=3 4384 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219374_100000210206 [0,1,0,0,0,1|1,0,0]=3 4385 B12R1.124 CC(C)N(C)c1ccccc1Cl 34a_100000219376_200000210301 [0,1,0,0,0,1|1,0,0]=3 4386 B12R1.124 CC(C)N(C)c1ccccc1Cl 7a_100000219376_200000210301 [0,1,0,0,0,1|1,0,0]=3 4387 B12R1.124 CC(C)N(C)c1ccccc1F 2230a_100000220357_100000210206 [0,1,0,0,0,1|1,0,0]=3 4388 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220357_100000210206 [0,1,0,0,0,1|1,0,0]=3 4389 B12R1.124 CC(C)N(C)c1ccccc1F 269982a_100000220358_200000210301 [0,1,0,0,0,1|1,0,0]=3 4390 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220357_100000210206 [0,1,0,0,0,1|1,0,0]=3 4391 B12R1.124 CC(C)N(C)c1ccccc1F 34a_100000220358_200000210301 [0,1,0,0,0,1|1,0,0]=3 4392 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220357_100000210206 [0,1,0,0,0,1|1,0,0]=3 4393 B12R1.124 CC(C)N(C)c1ccccc1F 38a_100000220358_200000210301 [0,1,0,0,0,1|1,0,0]=3 4394 B12R1.124 CC(C)N(C)c1ccccc1F 7a_100000220358_200000210301 [0,1,0,0,0,1|1,0,0]=3 4395 B12R1.124 CC(C)N(C)c1ccccc1O 269982a_100000033821_100000210206 [0,1,0,0,0,1|0,0,0]=2 4396 B12R1.124 CC(C)N(C)c1ccncc1Br 27a_200000211004_100000726257 [0,1,0,0,0,1|2,0,0]=4 4397 B12R1.124 CC(C)N(C)c1ccncc1F 27a_200000211004_100000035921 [0,1,0,0,0,1|2,0,0]=4 4398 B12R1.124 CC(C)N(C)c1ncccc1Br 27a_200000211004_100000696092 [0,1,0,0,0,1|2,0,0]=4 4399 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 269982a_100000219599_200025704644 [0,1,0,0,0,1|1,0,0]=3 4400 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 34a_100000219599_200025704644 [0,1,0,0,0,1|1,0,0]=3 4401 B12R1.124 CC(C)N([13CH3])c1ccccc1Br 7a_100000219599_200025704644 [0,1,0,0,0,1|1,0,0]=3 4402 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 269982a_100000219376_200025704644 [0,1,0,0,0,1|1,0,0]=3 4403 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 34a_100000219376_200025704644 [0,1,0,0,0,1|1,0,0]=3 4404 B12R1.124 CC(C)N([13CH3])c1ccccc1Cl 7a_100000219376_200025704644 [0,1,0,0,0,1|1,0,0]=3 4405 B12R1.124 CC(C)N([13CH3])c1ccccc1F 269982a_100000220358_200025704644 [0,1,0,0,0,1|1,0,0]=3 4406 B12R1.124 CC(C)N([13CH3])c1ccccc1F 34a_100000220358_200025704644 [0,1,0,0,0,1|1,0,0]=3 4407 B12R1.124 CC(C)N([13CH3])c1ccccc1F 38a_100000220358_200025704644 [0,1,0,0,0,1|1,0,0]=3 4408 B12R1.124 CC(C)N([13CH3])c1ccccc1F 7a_100000220358_200025704644 [0,1,0,0,0,1|1,0,0]=3 4409 B12R1.124 CC(c1ccccc1Br)N(C)C 2230a_100000692418_200000210301 [0,1,0,0,0,1|2,0,0]=4 4410 B12R1.124 CC(c1ccccc1Br)N(C)C 269982a_100000692418_200000210301 [0,1,0,0,0,1|2,0,0]=4 4411 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 2230a_100000692418_200025704644 [0,1,0,0,0,1|2,0,0]=4 4412 B12R1.124 CC(c1ccccc1Br)N(C)[13CH3] 269982a_100000692418_200025704644 [0,1,0,0,0,1|2,0,0]=4 4413 B12R1.124 CC(c1ccccc1Cl)N(C)C 2230a_100102631434_100000181259 [0,1,0,0,0,1|2,0,0]=4 4414 B12R1.124 CC(c1ccccc1Cl)N(C)C 269982a_100102631434_100000181259 [0,1,0,0,0,1|2,0,0]=4 4415 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100000231110_200000210301 [0,1,0,0,0,1|2,0,0]=4 4416 B12R1.124 CC(c1ccccc1F)N(C)C 2230a_100102631434_200000741388 [0,1,0,0,0,1|2,0,0]=4 4417 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100000231110_200000210301 [0,1,0,0,0,1|2,0,0]=4 4418 B12R1.124 CC(c1ccccc1F)N(C)C 269982a_100102631434_200000741388 [0,1,0,0,0,1|2,0,0]=4 4419 B12R1.124 CC(c1ccccc1F)N(C)C 34a_100000231110_200000210301 [0,1,0,0,0,1|2,0,0]=4 4420 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 2230a_100000231110_200025704644 [0,1,0,0,0,1|2,0,0]=4 4421 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 269982a_100000231110_200025704644 [0,1,0,0,0,1|2,0,0]=4 4422 B12R1.124 CC(c1ccccc1F)N(C)[13CH3] 34a_100000231110_200025704644 [0,1,0,0,0,1|2,0,0]=4 4423 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [0,1,0,0,0,1|2,0,0]=4 4424 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [0,1,0,0,0,1|2,0,0]=4 4425 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [0,1,0,0,0,1|2,0,0]=4 4426 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [0,1,0,0,0,1|2,0,0]=4 4427 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [0,1,0,0,0,1|2,0,0]=4 4428 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [0,1,0,0,0,1|2,0,0]=4 4429 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [0,1,0,0,0,1|2,0,0]=4 4430 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [0,1,0,0,0,1|2,0,0]=4 4431 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [0,1,0,0,0,1|2,0,0]=4 4432 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [0,1,0,0,0,1|2,0,0]=4 4433 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [0,1,0,0,0,1|2,0,0]=4 4434 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [0,1,0,0,0,1|2,0,0]=4 4435 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [0,1,0,0,0,1|2,0,0]=4 4436 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [0,1,0,0,0,1|2,0,0]=4 4437 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [0,1,0,0,0,1|2,0,0]=4 4438 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [0,1,0,0,0,1|2,0,0]=4 4439 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [0,1,0,0,0,1|1,0,0]=3 4440 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [0,1,0,0,0,1|1,0,0]=3 4441 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [0,1,0,0,0,1|1,0,1]=4 4442 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [0,1,0,0,0,1|1,0,1]=4 4443 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [0,1,0,0,0,1|1,0,1]=4 4444 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [0,1,0,0,0,1|2,0,0]=4 4445 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [0,1,0,0,0,1|1,0,0]=3 4446 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [0,1,0,0,0,1|2,0,0]=4 4447 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [0,1,0,0,0,1|2,0,0]=4 4448 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [0,1,0,0,0,1|2,0,0]=4 4449 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [0,1,0,0,0,1|2,0,0]=4 4450 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219699_100000210206 [0,1,0,0,0,1|1,0,0]=3 4451 B12R1.124 Cc1ccccc1N(C)C(C)C 2230a_100000219700_200000210301 [0,1,0,0,0,1|1,0,0]=3 4452 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219699_100000210206 [0,1,0,0,0,1|1,0,0]=3 4453 B12R1.124 Cc1ccccc1N(C)C(C)C 269982a_100000219700_200000210301 [0,1,0,0,0,1|1,0,0]=3 4454 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219699_100000210206 [0,1,0,0,0,1|1,0,0]=3 4455 B12R1.124 Cc1ccccc1N(C)C(C)C 34a_100000219700_200000210301 [0,1,0,0,0,1|1,0,0]=3 4456 B12R1.124 Cc1ccccc1N(C)C(C)C 7a_100000219700_200000210301 [0,1,0,0,0,1|1,0,0]=3 4457 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 2230a_100000219700_200025704644 [0,1,0,0,0,1|1,0,0]=3 4458 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 269982a_100000219700_200025704644 [0,1,0,0,0,1|1,0,0]=3 4459 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 34a_100000219700_200025704644 [0,1,0,0,0,1|1,0,0]=3 4460 B12R1.124 Cc1ccccc1N([13CH3])C(C)C 7a_100000219700_200025704644 [0,1,0,0,0,1|1,0,0]=3 4461 B12R1.124 Cc1cnccc1N(C)C(C)C 27a_200000211004_100000765111 [0,1,0,0,0,1|2,0,0]=4 4462 B12R1.127 CC(=Cc1cc(ccc1Br)Br)C 271570a_100102525489_100011483371 [0,1,0,0,0,1|1,0,1]=4 4463 B12R1.127 CC(=Cc1cc(ccc1Br)C)C 271570a_100102525489_100012353751 [0,1,0,0,0,1|1,0,1]=4 4464 B12R1.127 CC(=Cc1cc(ccc1Br)Cl)C 271570a_100102525489_100012339723 [0,1,0,0,0,1|1,0,1]=4 4465 B12R1.127 CC(=Cc1cc(ccc1Br)F)C 271570a_100102525489_100011217576 [0,1,0,0,0,1|1,0,1]=4 4466 B12R1.127 CC(=Cc1cc(ccc1Br)N)C 271570a_100102525489_100000750459 [0,1,0,0,0,1|1,0,1]=4 4467 B12R1.127 CC(=Cc1cc(ccc1Br)O)C 271570a_100102525489_100012339312 [0,1,0,0,0,1|1,0,1]=4 4468 B12R1.127 CC(=Cc1cc(ccc1C)Br)C 271570a_100102525489_100011344865 [0,1,0,0,0,1|1,0,1]=4 4469 B12R1.127 CC(=Cc1cc(ccc1C)C)C 271570a_100102525489_100000210833 [0,1,0,0,0,1|1,0,1]=4 4470 B12R1.127 CC(=Cc1cc(ccc1C)Cl)C 271570a_100102525489_100011263213 [0,1,0,0,0,1|1,0,1]=4 4471 B12R1.127 CC(=Cc1cc(ccc1C)F)C 271570a_100102525489_100011218078 [0,1,0,0,0,1|1,0,1]=4 4472 B12R1.127 CC(=Cc1cc(ccc1C)N)C 271570a_100102525489_100000736455 [0,1,0,0,0,1|1,0,1]=4 4473 B12R1.127 CC(=Cc1cc(ccc1C)O)C 271570a_100102525489_100011380479 [0,1,0,0,0,1|1,0,1]=4 4474 B12R1.127 CC(=Cc1cc(ccc1Cl)Br)C 271570a_100102525489_100011772130 [0,1,0,0,0,1|1,0,1]=4 4475 B12R1.127 CC(=Cc1cc(ccc1Cl)C)C 271570a_100102525489_100012356289 [0,1,0,0,0,1|1,0,1]=4 4476 B12R1.127 CC(=Cc1cc(ccc1Cl)Cl)C 271570a_100102525489_100000707729 [0,1,0,0,0,1|1,0,1]=4 4477 B12R1.127 CC(=Cc1cc(ccc1Cl)F)C 271570a_100102525489_100011217299 [0,1,0,0,0,1|1,0,1]=4 4478 B12R1.127 CC(=Cc1cc(ccc1Cl)N)C 271570a_100102525489_100012360549 [0,1,0,0,0,1|1,0,1]=4 4479 B12R1.127 CC(=Cc1cc(ccc1Cl)O)C 271570a_100102525489_100000049588 [0,1,0,0,0,1|1,0,1]=4 4480 B12R1.127 CC(=Cc1cc(ccc1F)Br)C 271570a_100102525489_100011217312 [0,1,0,0,0,1|1,0,1]=4 4481 B12R1.127 CC(=Cc1cc(ccc1F)C)C 271570a_100102525489_100000736223 [0,1,0,0,0,1|1,0,1]=4 4482 B12R1.127 CC(=Cc1cc(ccc1F)Cl)C 271570a_100102525489_100011218116 [0,1,0,0,0,1|1,0,1]=4 4483 B12R1.127 CC(=Cc1cc(ccc1F)F)C 271570a_100102525489_100000750033 [0,1,0,0,0,1|1,0,1]=4 4484 B12R1.127 CC(=Cc1cc(ccc1F)N)C 271570a_100102525489_100000760356 [0,1,0,0,0,1|1,0,1]=4 4485 B12R1.127 CC(=Cc1cc(ccc1F)O)C 271570a_100102525489_100000693481 [0,1,0,0,0,1|1,0,1]=4 4486 B12R1.127 CC(=Cc1cc(ccc1N)Br)C 271570a_100102525489_100000187925 [0,1,0,0,0,1|1,0,1]=4 4487 B12R1.127 CC(=Cc1cc(ccc1N)C)C 271570a_100102525489_100000210942 [0,1,0,0,0,1|1,0,1]=4 4488 B12R1.127 CC(=Cc1cc(ccc1N)Cl)C 271570a_100102525489_100000761889 [0,1,0,0,0,1|1,0,1]=4 4489 B12R1.127 CC(=Cc1cc(ccc1N)F)C 271570a_100102525489_100000760547 [0,1,0,0,0,1|1,0,1]=4 4490 B12R1.127 CC(=Cc1cc(ccc1N)N)C 271570a_100102525489_100011534242 [0,1,0,0,0,1|1,0,1]=4 4491 B12R1.127 CC(=Cc1cc(ccc1N)O)C 271570a_100102525489_100012001276 [0,1,0,0,0,1|1,0,1]=4 4492 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,1,0,0,0,1|0,0,1]=3 4493 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,1,0,0,0,1|0,0,1]=3 4494 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,1,0,0,0,1|0,0,1]=3 4495 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,1,0,0,0,1|0,0,1]=3 4496 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,1,0,0,0,1|0,0,1]=3 4497 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,1,0,0,0,1|0,0,1]=3 4498 B12R1.127 CC(=Cc1cc(cnc1O)Br)C 271570a_100102525489_100010197142 [0,1,0,0,0,1|1,0,1]=4 4499 B12R1.127 CC(=Cc1cc(cnc1O)C)C 271570a_100102525489_100000049931 [0,1,0,0,0,1|1,0,1]=4 4500 B12R1.127 CC(=Cc1cc(cnc1O)Cl)C 271570a_100102525489_100010188700 [0,1,0,0,0,1|1,0,1]=4 4501 B12R1.127 CC(=Cc1cc(ncc1O)C)C 271570a_100102525489_100009843476 [0,1,0,0,0,1|1,0,1]=4 4502 B12R1.127 CC(=Cc1cc(ncc1O)Cl)C 271570a_100102525489_100000698892 [0,1,0,0,0,1|1,0,1]=4 4503 B12R1.127 CC(=Cc1nc(ccc1O)Br)C 271570a_100102525489_100010253912 [0,1,0,0,0,1|1,0,1]=4 4504 B12R1.127 CC(=Cc1nc(ccc1O)C)C 271570a_100102525489_100000702858 [0,1,0,0,0,1|1,0,1]=4 4505 B12R1.127 CC(=Cc1nc(ccc1O)Cl)C 271570a_100102525489_100000696390 [0,1,0,0,0,1|1,0,1]=4 4506 B12R1.127 CC(=Cc1nc(ccc1O)F)C 271570a_100102525489_100010382442 [0,1,0,0,0,1|1,0,1]=4 4507 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,1,0,0,0,1|1,0,1]=4 4508 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,1,0,0,0,1|1,0,1]=4 4509 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,0,0,0,1|1,0,1]=4 4510 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,0,0,0,1|1,0,1]=4 4511 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,1,0,0,0,1|1,0,1]=4 4512 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,1,0,0,0,1|1,0,1]=4 4513 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,1|1,0,1]=4 4514 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,1|1,0,1]=4 4515 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,1|1,0,1]=4 4516 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,1,0,0,0,1|1,0,1]=4 4517 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,1,0,0,0,1|1,0,1]=4 4518 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,1,0,0,0,1|1,0,1]=4 4519 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,1,0,0,0,1|1,0,1]=4 4520 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,1,0,0,0,1|1,0,1]=4 4521 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,1,0,0,0,1|1,0,1]=4 4522 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,1,0,0,0,1|1,0,1]=4 4523 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,0,0,0,1|1,0,1]=4 4524 B12R1.127 CC(C)Nc1cc(ccc1Br)Br 34a_100000737762_100000210206 [0,1,0,0,0,1|1,0,0]=3 4525 B12R1.127 CC(C)Nc1cc(ccc1Br)Cl 34a_100000687073_100000210206 [0,1,0,0,0,1|1,0,0]=3 4526 B12R1.127 CC(C)Nc1cc(ccc1Br)F 34a_100000687223_100000210206 [0,1,0,0,0,1|1,0,0]=3 4527 B12R1.127 CC(C)Nc1cc(ccc1Br)O 34a_100011999798_100000210206 [0,1,0,0,0,1|1,0,0]=3 4528 B12R1.127 CC(C)Nc1cc(ccc1Cl)Br 34a_100000750497_100000210206 [0,1,0,0,0,1|1,0,0]=3 4529 B12R1.127 CC(C)Nc1cc(ccc1Cl)Cl 34a_100000184485_100000210206 [0,1,0,0,0,1|1,0,0]=3 4530 B12R1.127 CC(C)Nc1cc(ccc1Cl)F 34a_100000751338_100000210206 [0,1,0,0,0,1|1,0,0]=3 4531 B12R1.127 CC(C)Nc1cc(ccc1Cl)I 34a_200000761891_100000210206 [0,1,0,0,0,1|1,0,0]=3 4532 B12R1.127 CC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000210206 [0,1,0,0,0,1|1,0,0]=3 4533 B12R1.127 CC(C)Nc1cc(ccc1F)Br 34a_100000740924_100000210206 [0,1,0,0,0,1|1,0,0]=3 4534 B12R1.127 CC(C)Nc1cc(ccc1F)Cl 34a_100000212115_100000210206 [0,1,0,0,0,1|1,0,0]=3 4535 B12R1.127 CC(C)Nc1cc(ccc1F)F 34a_100000210742_100000210206 [0,1,0,0,0,1|1,0,0]=3 4536 B12R1.127 CC(C)Nc1cc(ccc1F)I 34a_100011464823_100000210206 [0,1,0,0,0,1|1,0,0]=3 4537 B12R1.127 CC(C)Nc1cc(ccc1F)O 34a_100012017239_100000210206 [0,1,0,0,0,1|1,0,0]=3 4538 B12R1.127 CC(C)Nc1cc(ccc1I)Br 34a_100000743836_100000210206 [0,1,0,0,0,1|1,0,0]=3 4539 B12R1.127 CC(C)Nc1cc(ccc1I)Cl 34a_100000761886_100000210206 [0,1,0,0,0,1|1,0,0]=3 4540 B12R1.127 CC(C)Nc1cc(ccc1I)F 34a_100011218093_100000210206 [0,1,0,0,0,1|1,0,0]=3 4541 B12R1.127 CC(C)Nc1cc(ccc1O)Br 34a_100000752626_100000210206 [0,1,0,0,0,1|0,0,0]=2 4542 B12R1.127 CC(C)Nc1cc(ccc1O)Cl 34a_100000210500_100000210206 [0,1,0,0,0,1|0,0,0]=2 4543 B12R1.127 CC(C)Nc1cc(ccc1O)F 34a_100000759472_100000210206 [0,1,0,0,0,1|0,0,0]=2 4544 B12R1.127 CC(C)Nc1cc(cnc1F)Br 27a_100138425928_100010172738 [0,1,0,0,0,1|2,0,0]=4 4545 B12R1.127 CC(C)Nc1cc(cnc1F)Cl 27a_100138425928_100010188783 [0,1,0,0,0,1|2,0,0]=4 4546 B12R1.127 CC(C)Nc1cc(ncc1Br)Br 27a_100138425928_100010171693 [0,1,0,0,0,1|2,0,0]=4 4547 B12R1.127 CC(C)Nc1cc(ncc1Cl)F 27a_100138425928_100009892587 [0,1,0,0,0,1|2,0,0]=4 4548 B12R1.127 CC(C)Nc1cc(ncc1F)F 27a_100138425928_100010233071 [0,1,0,0,0,1|2,0,0]=4 4549 B12R1.127 CC(C)Nc1nc(ccc1F)F 27a_100138425928_100010997973 [0,1,0,0,0,1|2,0,0]=4 4550 B12R1.127 CC(C)Nc1nc(ccc1N)F 27a_100138425928_100009879877 [0,1,0,0,0,1|2,0,0]=4 4551 B12R1.127 CC(C)Oc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210206 [0,1,0,0,0,1|2,0,0]=4 4552 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 34a_100011220040_100000210206 [0,1,0,0,0,1|1,0,0]=3 4553 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 7a_100011220040_100000210206 [0,1,0,0,0,1|1,0,0]=3 4554 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 34a_100012339455_100000210206 [0,1,0,0,0,1|1,0,0]=3 4555 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 7a_100012339455_100000210206 [0,1,0,0,0,1|1,0,0]=3 4556 B12R1.127 CC(C)Oc1cc(ccc1Br)F 34a_100000690578_100000210206 [0,1,0,0,0,1|1,0,0]=3 4557 B12R1.127 CC(C)Oc1cc(ccc1Br)F 7a_100000690578_100000210206 [0,1,0,0,0,1|1,0,0]=3 4558 B12R1.127 CC(C)Oc1cc(ccc1Br)I 34a_100012356990_100000210206 [0,1,0,0,0,1|1,0,0]=3 4559 B12R1.127 CC(C)Oc1cc(ccc1Br)I 7a_100012356990_100000210206 [0,1,0,0,0,1|1,0,0]=3 4560 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100000210206 [0,1,0,0,0,1|1,0,0]=3 4561 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 7a_100000738945_100000210206 [0,1,0,0,0,1|1,0,0]=3 4562 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100000210206 [0,1,0,0,0,1|1,0,0]=3 4563 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 7a_100000211422_100000210206 [0,1,0,0,0,1|1,0,0]=3 4564 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 34a_100000692107_100000210206 [0,1,0,0,0,1|1,0,0]=3 4565 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 7a_100000692107_100000210206 [0,1,0,0,0,1|1,0,0]=3 4566 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 34a_100011356854_100000210206 [0,1,0,0,0,1|1,0,0]=3 4567 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 7a_100011356854_100000210206 [0,1,0,0,0,1|1,0,0]=3 4568 B12R1.127 CC(C)Oc1cc(ccc1Cl)N 34a_100011934209_100000210206 [0,1,0,0,0,1|1,0,0]=3 4569 B12R1.127 CC(C)Oc1cc(ccc1F)Br 34a_100000686035_100000210206 [0,1,0,0,0,1|1,0,0]=3 4570 B12R1.127 CC(C)Oc1cc(ccc1F)Br 7a_100000686035_100000210206 [0,1,0,0,0,1|1,0,0]=3 4571 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 34a_100000757397_100000210206 [0,1,0,0,0,1|1,0,0]=3 4572 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 7a_100000757397_100000210206 [0,1,0,0,0,1|1,0,0]=3 4573 B12R1.127 CC(C)Oc1cc(ccc1F)F 34a_100000752141_100000210206 [0,1,0,0,0,1|1,0,0]=3 4574 B12R1.127 CC(C)Oc1cc(ccc1F)F 7a_100000752141_100000210206 [0,1,0,0,0,1|1,0,0]=3 4575 B12R1.127 CC(C)Oc1cc(ccc1F)I 34a_100009958187_100000210206 [0,1,0,0,0,1|1,0,0]=3 4576 B12R1.127 CC(C)Oc1cc(ccc1F)I 7a_100009958187_100000210206 [0,1,0,0,0,1|1,0,0]=3 4577 B12R1.127 CC(C)Oc1cc(ccc1F)N 34a_100012017398_100000210206 [0,1,0,0,0,1|1,0,0]=3 4578 B12R1.127 CC(C)Oc1cc(ccc1F)N 7a_100012017398_100000210206 [0,1,0,0,0,1|1,0,0]=3 4579 B12R1.127 CC(C)Oc1cc(ccc1F)O 271570a_203496583355_200012350295 [0,1,0,0,0,1|1,0,0]=3 4580 B12R1.127 CC(C)Oc1cc(ccc1I)Br 34a_100012344904_100000210206 [0,1,0,0,0,1|1,0,0]=3 4581 B12R1.127 CC(C)Oc1cc(ccc1I)Br 7a_100012344904_100000210206 [0,1,0,0,0,1|1,0,0]=3 4582 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 34a_100000050036_100000210206 [0,1,0,0,0,1|1,0,0]=3 4583 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 7a_100000050036_100000210206 [0,1,0,0,0,1|1,0,0]=3 4584 B12R1.127 CC(C)Oc1cc(ccc1I)F 34a_100010084537_100000210206 [0,1,0,0,0,1|1,0,0]=3 4585 B12R1.127 CC(C)Oc1cc(ccc1I)F 7a_100010084537_100000210206 [0,1,0,0,0,1|1,0,0]=3 4586 B12R1.127 CC(C)Oc1cc(ccc1N)Br 34a_100000739049_100000210206 [0,1,0,0,0,1|1,0,0]=3 4587 B12R1.127 CC(C)Oc1cc(ccc1N)Br 7a_100000739049_100000210206 [0,1,0,0,0,1|1,0,0]=3 4588 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 34a_100000185728_100000210206 [0,1,0,0,0,1|1,0,0]=3 4589 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 7a_100000185728_100000210206 [0,1,0,0,0,1|1,0,0]=3 4590 B12R1.127 CC(C)Oc1cc(ccc1N)F 34a_100000753323_100000210206 [0,1,0,0,0,1|1,0,0]=3 4591 B12R1.127 CC(C)Oc1cc(ccc1N)F 7a_100000753323_100000210206 [0,1,0,0,0,1|1,0,0]=3 4592 B12R1.127 CC(C)Oc1cc(ccc1N)I 34a_100000057187_100000210206 [0,1,0,0,0,1|1,0,0]=3 4593 B12R1.127 CC(C)Oc1cc(ccc1N)I 7a_100000057187_100000210206 [0,1,0,0,0,1|1,0,0]=3 4594 B12R1.127 CC(C)Oc1cc(ccc1N)N 34a_100025717382_100000210206 [0,1,0,0,0,1|1,0,0]=3 4595 B12R1.127 CC(C)Oc1cc(ccc1O)F 271570a_203496583355_200012359391 [0,1,0,0,0,1|0,0,0]=2 4596 B12R1.127 CC(C)Oc1cc(cnc1Br)Cl 34a_100000697010_100000210206 [0,1,0,0,0,1|2,0,0]=4 4597 B12R1.127 CC(C)Oc1cc(cnc1Br)Cl 7a_100000697010_100000210206 [0,1,0,0,0,1|2,0,0]=4 4598 B12R1.127 CC(C)Oc1cc(cnc1Br)F 34a_100009820119_100000210206 [0,1,0,0,0,1|2,0,0]=4 4599 B12R1.127 CC(C)Oc1cc(cnc1Br)F 7a_100009820119_100000210206 [0,1,0,0,0,1|2,0,0]=4 4600 B12R1.127 CC(C)Oc1cc(cnc1Cl)Br 34a_100012354860_100000210206 [0,1,0,0,0,1|2,0,0]=4 4601 B12R1.127 CC(C)Oc1cc(cnc1Cl)Br 7a_100012354860_100000210206 [0,1,0,0,0,1|2,0,0]=4 4602 B12R1.127 CC(C)Oc1cc(cnc1Cl)F 34a_100000079967_100000210206 [0,1,0,0,0,1|2,0,0]=4 4603 B12R1.127 CC(C)Oc1cc(cnc1Cl)F 7a_100000079967_100000210206 [0,1,0,0,0,1|2,0,0]=4 4604 B12R1.127 CC(C)Oc1cc(cnc1F)Br 34a_100009819871_100000210206 [0,1,0,0,0,1|2,0,0]=4 4605 B12R1.127 CC(C)Oc1cc(cnc1F)Br 7a_100009819871_100000210206 [0,1,0,0,0,1|2,0,0]=4 4606 B12R1.127 CC(C)Oc1cc(cnc1F)Cl 34a_100000094372_100000210206 [0,1,0,0,0,1|2,0,0]=4 4607 B12R1.127 CC(C)Oc1cc(cnc1F)Cl 7a_100000094372_100000210206 [0,1,0,0,0,1|2,0,0]=4 4608 B12R1.127 CC(C)Oc1cc(cnc1F)O 271570a_203496583355_200010713186 [0,1,0,0,0,1|2,0,0]=4 4609 B12R1.127 CC(C)Oc1cc(cnc1I)Br 34a_100010210634_100000210206 [0,1,0,0,0,1|2,0,0]=4 4610 B12R1.127 CC(C)Oc1cc(cnc1I)Br 7a_100010210634_100000210206 [0,1,0,0,0,1|2,0,0]=4 4611 B12R1.127 CC(C)Oc1cc(cnc1I)Cl 34a_100010233512_100000210206 [0,1,0,0,0,1|2,0,0]=4 4612 B12R1.127 CC(C)Oc1cc(cnc1I)Cl 7a_100010233512_100000210206 [0,1,0,0,0,1|2,0,0]=4 4613 B12R1.127 CC(C)Oc1cc(cnc1I)F 34a_100015624800_100000210206 [0,1,0,0,0,1|2,0,0]=4 4614 B12R1.127 CC(C)Oc1cc(cnc1I)F 7a_100015624800_100000210206 [0,1,0,0,0,1|2,0,0]=4 4615 B12R1.127 CC(C)Oc1cc(cnc1N)Br 34a_100009819042_100000210206 [0,1,0,0,0,1|2,0,0]=4 4616 B12R1.127 CC(C)Oc1cc(cnc1N)Br 7a_100009819042_100000210206 [0,1,0,0,0,1|2,0,0]=4 4617 B12R1.127 CC(C)Oc1cc(cnc1N)Cl 34a_100000123674_100000210206 [0,1,0,0,0,1|2,0,0]=4 4618 B12R1.127 CC(C)Oc1cc(cnc1N)Cl 7a_100000123674_100000210206 [0,1,0,0,0,1|2,0,0]=4 4619 B12R1.127 CC(C)Oc1cc(cnc1N)F 34a_100000094369_100000210206 [0,1,0,0,0,1|2,0,0]=4 4620 B12R1.127 CC(C)Oc1cc(cnc1N)F 7a_100000094369_100000210206 [0,1,0,0,0,1|2,0,0]=4 4621 B12R1.127 CC(C)Oc1cc(ncc1Br)Br 34a_100010235016_100000210206 [0,1,0,0,0,1|2,0,0]=4 4622 B12R1.127 CC(C)Oc1cc(ncc1Br)Cl 34a_100010173860_100000210206 [0,1,0,0,0,1|2,0,0]=4 4623 B12R1.127 CC(C)Oc1cc(ncc1Cl)Br 34a_100010173861_100000210206 [0,1,0,0,0,1|2,0,0]=4 4624 B12R1.127 CC(C)Oc1cc(ncc1F)Br 34a_100009854642_100000210206 [0,1,0,0,0,1|2,0,0]=4 4625 B12R1.127 CC(C)Oc1cc(ncc1F)Cl 34a_100009851168_100000210206 [0,1,0,0,0,1|2,0,0]=4 4626 B12R1.127 CC(C)Oc1nc(ccc1F)Cl 34a_100010729010_100000210206 [0,1,0,0,0,1|2,0,0]=4 4627 B12R1.127 CC(C)Sc1cc(=O)[nH]cc1F 62a_100000210206_100009817642 [0,1,0,0,0,1|2,0,0]=4 4628 B12R1.127 CC(C)Sc1cc(=O)[nH]cc1F 62a_100009817642_100000210206 [0,1,0,0,0,1|2,0,0]=4 4629 B12R1.127 CC(C)Sc1cc(c[nH]c1=O)F 62a_100000210206_100009817720 [0,1,0,0,0,1|1,0,1]=4 4630 B12R1.127 CC(C)Sc1cc(c[nH]c1=O)F 62a_100009817720_100000210206 [0,1,0,0,0,1|1,0,1]=4 4631 B12R1.127 CC(C)Sc1cc(ccc1Br)Br 62a_100000210206_100011483371 [0,1,0,0,0,1|1,0,0]=3 4632 B12R1.127 CC(C)Sc1cc(ccc1Br)Br 62a_100011483371_100000210206 [0,1,0,0,0,1|1,0,0]=3 4633 B12R1.127 CC(C)Sc1cc(ccc1Br)Cl 62a_100000210206_100012339723 [0,1,0,0,0,1|1,0,0]=3 4634 B12R1.127 CC(C)Sc1cc(ccc1Br)Cl 62a_100012339723_100000210206 [0,1,0,0,0,1|1,0,0]=3 4635 B12R1.127 CC(C)Sc1cc(ccc1Br)F 62a_100000210206_100011217576 [0,1,0,0,0,1|1,0,0]=3 4636 B12R1.127 CC(C)Sc1cc(ccc1Br)F 62a_100011217576_100000210206 [0,1,0,0,0,1|1,0,0]=3 4637 B12R1.127 CC(C)Sc1cc(ccc1Br)N 62a_100000210206_100000750459 [0,1,0,0,0,1|1,0,0]=3 4638 B12R1.127 CC(C)Sc1cc(ccc1Br)N 62a_100000750459_100000210206 [0,1,0,0,0,1|1,0,0]=3 4639 B12R1.127 CC(C)Sc1cc(ccc1Br)O 62a_100000210206_100012339312 [0,1,0,0,0,1|1,0,0]=3 4640 B12R1.127 CC(C)Sc1cc(ccc1Br)O 62a_100012339312_100000210206 [0,1,0,0,0,1|1,0,0]=3 4641 B12R1.127 CC(C)Sc1cc(ccc1Cl)Br 62a_100000210206_100011772130 [0,1,0,0,0,1|1,0,0]=3 4642 B12R1.127 CC(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100000210206 [0,1,0,0,0,1|1,0,0]=3 4643 B12R1.127 CC(C)Sc1cc(ccc1Cl)Cl 62a_100000210206_100000707729 [0,1,0,0,0,1|1,0,0]=3 4644 B12R1.127 CC(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100000210206 [0,1,0,0,0,1|1,0,0]=3 4645 B12R1.127 CC(C)Sc1cc(ccc1Cl)F 62a_100000210206_100011217299 [0,1,0,0,0,1|1,0,0]=3 4646 B12R1.127 CC(C)Sc1cc(ccc1Cl)F 62a_100011217299_100000210206 [0,1,0,0,0,1|1,0,0]=3 4647 B12R1.127 CC(C)Sc1cc(ccc1Cl)N 62a_100000210206_100012360549 [0,1,0,0,0,1|1,0,0]=3 4648 B12R1.127 CC(C)Sc1cc(ccc1Cl)N 62a_100012360549_100000210206 [0,1,0,0,0,1|1,0,0]=3 4649 B12R1.127 CC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000210206 [0,1,0,0,0,1|1,0,0]=3 4650 B12R1.127 CC(C)Sc1cc(ccc1Cl)O 62a_100000210206_100000049588 [0,1,0,0,0,1|1,0,0]=3 4651 B12R1.127 CC(C)Sc1cc(ccc1F)Br 62a_100000210206_100011217312 [0,1,0,0,0,1|1,0,0]=3 4652 B12R1.127 CC(C)Sc1cc(ccc1F)Br 62a_100011217312_100000210206 [0,1,0,0,0,1|1,0,0]=3 4653 B12R1.127 CC(C)Sc1cc(ccc1F)Cl 62a_100000210206_100011218116 [0,1,0,0,0,1|1,0,0]=3 4654 B12R1.127 CC(C)Sc1cc(ccc1F)Cl 62a_100011218116_100000210206 [0,1,0,0,0,1|1,0,0]=3 4655 B12R1.127 CC(C)Sc1cc(ccc1F)F 62a_100000210206_100011219198 [0,1,0,0,0,1|1,0,0]=3 4656 B12R1.127 CC(C)Sc1cc(ccc1F)F 62a_100011219198_100000210206 [0,1,0,0,0,1|1,0,0]=3 4657 B12R1.127 CC(C)Sc1cc(ccc1F)N 62a_100000210206_100000760356 [0,1,0,0,0,1|1,0,0]=3 4658 B12R1.127 CC(C)Sc1cc(ccc1F)N 62a_100000760356_100000210206 [0,1,0,0,0,1|1,0,0]=3 4659 B12R1.127 CC(C)Sc1cc(ccc1F)O 62a_100000210206_100000693481 [0,1,0,0,0,1|1,0,0]=3 4660 B12R1.127 CC(C)Sc1cc(ccc1F)O 62a_100000693481_100000210206 [0,1,0,0,0,1|1,0,0]=3 4661 B12R1.127 CC(C)Sc1cc(ccc1N)Br 62a_100000187925_100000210206 [0,1,0,0,0,1|1,0,0]=3 4662 B12R1.127 CC(C)Sc1cc(ccc1N)Br 62a_100000210206_100000187925 [0,1,0,0,0,1|1,0,0]=3 4663 B12R1.127 CC(C)Sc1cc(ccc1N)Cl 62a_100000210206_100000761889 [0,1,0,0,0,1|1,0,0]=3 4664 B12R1.127 CC(C)Sc1cc(ccc1N)Cl 62a_100000761889_100000210206 [0,1,0,0,0,1|1,0,0]=3 4665 B12R1.127 CC(C)Sc1cc(ccc1N)F 62a_100000210206_100000760547 [0,1,0,0,0,1|1,0,0]=3 4666 B12R1.127 CC(C)Sc1cc(ccc1N)F 62a_100000760547_100000210206 [0,1,0,0,0,1|1,0,0]=3 4667 B12R1.127 CC(C)Sc1cc(ccc1N)N 62a_100000210206_100011534242 [0,1,0,0,0,1|1,0,0]=3 4668 B12R1.127 CC(C)Sc1cc(ccc1N)N 62a_100011534242_100000210206 [0,1,0,0,0,1|1,0,0]=3 4669 B12R1.127 CC(C)Sc1cc(ccc1N)O 62a_100000210206_100012001276 [0,1,0,0,0,1|1,0,0]=3 4670 B12R1.127 CC(C)Sc1cc(ccc1N)O 62a_100012001276_100000210206 [0,1,0,0,0,1|1,0,0]=3 4671 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100000210206_100012355227 [0,1,0,0,0,1|0,0,0]=2 4672 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100012355227_100000210206 [0,1,0,0,0,1|0,0,0]=2 4673 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100000210206_100011356953 [0,1,0,0,0,1|0,0,0]=2 4674 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100011356953_100000210206 [0,1,0,0,0,1|0,0,0]=2 4675 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000210206_100000211999 [0,1,0,0,0,1|0,0,0]=2 4676 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000211999_100000210206 [0,1,0,0,0,1|0,0,0]=2 4677 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100000210206_100011534360 [0,1,0,0,0,1|0,0,0]=2 4678 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100011534360_100000210206 [0,1,0,0,0,1|0,0,0]=2 4679 B12R1.127 CC(C)Sc1cc(ccc1O)O 62a_100000210206_100009813629 [0,1,0,0,0,1|0,0,0]=2 4680 B12R1.127 CC(C)Sc1cc(cnc1Br)N 62a_100000210206_100010201102 [0,1,0,0,0,1|2,0,0]=4 4681 B12R1.127 CC(C)Sc1cc(cnc1Br)N 62a_100010201102_100000210206 [0,1,0,0,0,1|2,0,0]=4 4682 B12R1.127 CC(C)Sc1cc(cnc1Cl)Br 62a_100000210206_100009814771 [0,1,0,0,0,1|2,0,0]=4 4683 B12R1.127 CC(C)Sc1cc(cnc1Cl)Br 62a_100009814771_100000210206 [0,1,0,0,0,1|2,0,0]=4 4684 B12R1.127 CC(C)Sc1cc(cnc1Cl)Cl 62a_100000210206_200000062399 [0,1,0,0,0,1|2,0,0]=4 4685 B12R1.127 CC(C)Sc1cc(cnc1Cl)Cl 62a_200000062399_100000210206 [0,1,0,0,0,1|2,0,0]=4 4686 B12R1.127 CC(C)Sc1cc(cnc1Cl)N 62a_100000210206_100010253917 [0,1,0,0,0,1|2,0,0]=4 4687 B12R1.127 CC(C)Sc1cc(cnc1Cl)N 62a_100010253917_100000210206 [0,1,0,0,0,1|2,0,0]=4 4688 B12R1.127 CC(C)Sc1cc(cnc1F)Br 62a_100000210206_100010172738 [0,1,0,0,0,1|2,0,0]=4 4689 B12R1.127 CC(C)Sc1cc(cnc1F)Br 62a_100010172738_100000210206 [0,1,0,0,0,1|2,0,0]=4 4690 B12R1.127 CC(C)Sc1cc(cnc1F)Cl 62a_100000210206_100010188783 [0,1,0,0,0,1|2,0,0]=4 4691 B12R1.127 CC(C)Sc1cc(cnc1F)Cl 62a_100010188783_100000210206 [0,1,0,0,0,1|2,0,0]=4 4692 B12R1.127 CC(C)Sc1cc(cnc1F)F 62a_100000210206_100009820768 [0,1,0,0,0,1|2,0,0]=4 4693 B12R1.127 CC(C)Sc1cc(cnc1F)F 62a_100009820768_100000210206 [0,1,0,0,0,1|2,0,0]=4 4694 B12R1.127 CC(C)Sc1cc(cnc1F)N 62a_100000210206_100009840397 [0,1,0,0,0,1|2,0,0]=4 4695 B12R1.127 CC(C)Sc1cc(cnc1F)N 62a_100009840397_100000210206 [0,1,0,0,0,1|2,0,0]=4 4696 B12R1.127 CC(C)Sc1cc(cnc1F)O 62a_100000210206_100009817267 [0,1,0,0,0,1|2,0,0]=4 4697 B12R1.127 CC(C)Sc1cc(cnc1F)O 62a_100009817267_100000210206 [0,1,0,0,0,1|2,0,0]=4 4698 B12R1.127 CC(C)Sc1cc(cnc1N)Br 62a_100000210206_100000760472 [0,1,0,0,0,1|2,0,0]=4 4699 B12R1.127 CC(C)Sc1cc(cnc1N)Br 62a_100000760472_100000210206 [0,1,0,0,0,1|2,0,0]=4 4700 B12R1.127 CC(C)Sc1cc(cnc1N)Cl 62a_100000050159_100000210206 [0,1,0,0,0,1|2,0,0]=4 4701 B12R1.127 CC(C)Sc1cc(cnc1N)Cl 62a_100000210206_100000050159 [0,1,0,0,0,1|2,0,0]=4 4702 B12R1.127 CC(C)Sc1cc(cnc1N)F 62a_100000210206_100009814671 [0,1,0,0,0,1|2,0,0]=4 4703 B12R1.127 CC(C)Sc1cc(cnc1N)F 62a_100009814671_100000210206 [0,1,0,0,0,1|2,0,0]=4 4704 B12R1.127 CC(C)Sc1cc(cnc1N)N 62a_100000210206_200011934315 [0,1,0,0,0,1|2,0,0]=4 4705 B12R1.127 CC(C)Sc1cc(cnc1N)N 62a_200011934315_100000210206 [0,1,0,0,0,1|2,0,0]=4 4706 B12R1.127 CC(C)Sc1cc(cnc1O)Br 62a_100000210206_100010197142 [0,1,0,0,0,1|1,0,0]=3 4707 B12R1.127 CC(C)Sc1cc(cnc1O)Br 62a_100010197142_100000210206 [0,1,0,0,0,1|1,0,0]=3 4708 B12R1.127 CC(C)Sc1cc(cnc1O)Cl 62a_100000210206_100010188700 [0,1,0,0,0,1|1,0,0]=3 4709 B12R1.127 CC(C)Sc1cc(cnc1O)Cl 62a_100010188700_100000210206 [0,1,0,0,0,1|1,0,0]=3 4710 B12R1.127 CC(C)Sc1cc(ncc1Br)Br 62a_100000210206_100010171693 [0,1,0,0,0,1|2,0,0]=4 4711 B12R1.127 CC(C)Sc1cc(ncc1Br)Br 62a_100010171693_100000210206 [0,1,0,0,0,1|2,0,0]=4 4712 B12R1.127 CC(C)Sc1cc(ncc1Br)Cl 62a_100000210206_100009815598 [0,1,0,0,0,1|2,0,0]=4 4713 B12R1.127 CC(C)Sc1cc(ncc1Br)Cl 62a_100009815598_100000210206 [0,1,0,0,0,1|2,0,0]=4 4714 B12R1.127 CC(C)Sc1cc(ncc1Cl)Br 62a_100000210206_100010223331 [0,1,0,0,0,1|2,0,0]=4 4715 B12R1.127 CC(C)Sc1cc(ncc1Cl)Br 62a_100010223331_100000210206 [0,1,0,0,0,1|2,0,0]=4 4716 B12R1.127 CC(C)Sc1cc(ncc1Cl)Cl 62a_100000210206_100010172835 [0,1,0,0,0,1|2,0,0]=4 4717 B12R1.127 CC(C)Sc1cc(ncc1Cl)Cl 62a_100010172835_100000210206 [0,1,0,0,0,1|2,0,0]=4 4718 B12R1.127 CC(C)Sc1cc(ncc1Cl)F 62a_100000210206_100009892587 [0,1,0,0,0,1|2,0,0]=4 4719 B12R1.127 CC(C)Sc1cc(ncc1Cl)F 62a_100009892587_100000210206 [0,1,0,0,0,1|2,0,0]=4 4720 B12R1.127 CC(C)Sc1cc(ncc1Cl)N 62a_100000210206_100010134119 [0,1,0,0,0,1|2,0,0]=4 4721 B12R1.127 CC(C)Sc1cc(ncc1Cl)N 62a_100010134119_100000210206 [0,1,0,0,0,1|2,0,0]=4 4722 B12R1.127 CC(C)Sc1cc(ncc1F)Br 62a_100000210206_100010193852 [0,1,0,0,0,1|2,0,0]=4 4723 B12R1.127 CC(C)Sc1cc(ncc1F)Br 62a_100010193852_100000210206 [0,1,0,0,0,1|2,0,0]=4 4724 B12R1.127 CC(C)Sc1cc(ncc1F)Cl 62a_100000210206_100000708277 [0,1,0,0,0,1|2,0,0]=4 4725 B12R1.127 CC(C)Sc1cc(ncc1F)Cl 62a_100000708277_100000210206 [0,1,0,0,0,1|2,0,0]=4 4726 B12R1.127 CC(C)Sc1cc(ncc1F)F 62a_100000210206_100010233071 [0,1,0,0,0,1|2,0,0]=4 4727 B12R1.127 CC(C)Sc1cc(ncc1F)F 62a_100010233071_100000210206 [0,1,0,0,0,1|2,0,0]=4 4728 B12R1.127 CC(C)Sc1cc(ncc1F)N 62a_100000210206_100015713587 [0,1,0,0,0,1|2,0,0]=4 4729 B12R1.127 CC(C)Sc1cc(ncc1F)N 62a_100015713587_100000210206 [0,1,0,0,0,1|2,0,0]=4 4730 B12R1.127 CC(C)Sc1cc(ncc1N)Cl 62a_100000050123_100000210206 [0,1,0,0,0,1|2,0,0]=4 4731 B12R1.127 CC(C)Sc1cc(ncc1N)Cl 62a_100000210206_100000050123 [0,1,0,0,0,1|2,0,0]=4 4732 B12R1.127 CC(C)Sc1cc(ncc1O)Cl 62a_100000210206_100000698892 [0,1,0,0,0,1|1,0,0]=3 4733 B12R1.127 CC(C)Sc1cc(ncc1O)Cl 62a_100000698892_100000210206 [0,1,0,0,0,1|1,0,0]=3 4734 B12R1.127 CC(C)Sc1cc(nnc1O)O 62a_100000210206_100000759565 [0,1,0,0,0,1|2,0,0]=4 4735 B12R1.127 CC(C)Sc1cn(ccc1=O)C 62a_100000210206_100010750718 [0,1,0,0,0,1|1,0,1]=4 4736 B12R1.127 CC(C)Sc1cn(ccc1=O)C 62a_100010750718_100000210206 [0,1,0,0,0,1|1,0,1]=4 4737 B12R1.127 CC(C)Sc1nc(ccc1Br)N 62a_100000210206_100010192275 [0,1,0,0,0,1|2,0,0]=4 4738 B12R1.127 CC(C)Sc1nc(ccc1Br)N 62a_100010192275_100000210206 [0,1,0,0,0,1|2,0,0]=4 4739 B12R1.127 CC(C)Sc1nc(ccc1F)Cl 62a_100000210206_100010136221 [0,1,0,0,0,1|2,0,0]=4 4740 B12R1.127 CC(C)Sc1nc(ccc1F)Cl 62a_100010136221_100000210206 [0,1,0,0,0,1|2,0,0]=4 4741 B12R1.127 CC(C)Sc1nc(ccc1F)F 62a_100000210206_100010997973 [0,1,0,0,0,1|2,0,0]=4 4742 B12R1.127 CC(C)Sc1nc(ccc1F)F 62a_100010997973_100000210206 [0,1,0,0,0,1|2,0,0]=4 4743 B12R1.127 CC(C)Sc1nc(ccc1F)N 62a_100000210206_100010892222 [0,1,0,0,0,1|2,0,0]=4 4744 B12R1.127 CC(C)Sc1nc(ccc1F)N 62a_100010892222_100000210206 [0,1,0,0,0,1|2,0,0]=4 4745 B12R1.127 CC(C)Sc1nc(ccc1N)Br 62a_100000210206_100010168765 [0,1,0,0,0,1|2,0,0]=4 4746 B12R1.127 CC(C)Sc1nc(ccc1N)Br 62a_100010168765_100000210206 [0,1,0,0,0,1|2,0,0]=4 4747 B12R1.127 CC(C)Sc1nc(ccc1N)Cl 62a_100000210206_100010233647 [0,1,0,0,0,1|2,0,0]=4 4748 B12R1.127 CC(C)Sc1nc(ccc1N)Cl 62a_100010233647_100000210206 [0,1,0,0,0,1|2,0,0]=4 4749 B12R1.127 CC(C)Sc1nc(ccc1N)F 62a_100000210206_100009879877 [0,1,0,0,0,1|2,0,0]=4 4750 B12R1.127 CC(C)Sc1nc(ccc1N)F 62a_100009879877_100000210206 [0,1,0,0,0,1|2,0,0]=4 4751 B12R1.127 CC(C)Sc1nc(ccc1N)N 62a_100000210206_200009884323 [0,1,0,0,0,1|2,0,0]=4 4752 B12R1.127 CC(C)Sc1nc(ccc1N)N 62a_200009884323_100000210206 [0,1,0,0,0,1|2,0,0]=4 4753 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100000210206_100010253912 [0,1,0,0,0,1|1,0,0]=3 4754 B12R1.127 CC(C)Sc1nc(ccc1O)Br 62a_100010253912_100000210206 [0,1,0,0,0,1|1,0,0]=3 4755 B12R1.127 CC(C)Sc1nc(ccc1O)Cl 62a_100000210206_100000696390 [0,1,0,0,0,1|1,0,0]=3 4756 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100000210206_100010382442 [0,1,0,0,0,1|1,0,0]=3 4757 B12R1.127 CC(C)Sc1nc(ccc1O)F 62a_100010382442_100000210206 [0,1,0,0,0,1|1,0,0]=3 4758 B12R1.127 CN(C)Cc1cc(ccc1Br)Br 2230a_100102631434_100011982794 [0,1,0,0,0,1|2,0,0]=4 4759 B12R1.127 CN(C)Cc1cc(ccc1Br)Br 269982a_100102631434_100011982794 [0,1,0,0,0,1|2,0,0]=4 4760 B12R1.127 CN(C)Cc1cc(ccc1Br)Br 270004a_100102631434_100011266429 [0,1,0,0,0,1|2,0,0]=4 4761 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 2230a_100000711432_200000210301 [0,1,0,0,0,1|2,0,0]=4 4762 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 2230a_100102631434_100000733903 [0,1,0,0,0,1|2,0,0]=4 4763 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 269982a_100000711432_200000210301 [0,1,0,0,0,1|2,0,0]=4 4764 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 269982a_100102631434_100000733903 [0,1,0,0,0,1|2,0,0]=4 4765 B12R1.127 CN(C)Cc1cc(ccc1Br)Cl 270004a_100102631434_100000746314 [0,1,0,0,0,1|2,0,0]=4 4766 B12R1.127 CN(C)Cc1cc(ccc1Br)F 2230a_100102631434_100000736370 [0,1,0,0,0,1|2,0,0]=4 4767 B12R1.127 CN(C)Cc1cc(ccc1Br)F 269982a_100102631434_100000736370 [0,1,0,0,0,1|2,0,0]=4 4768 B12R1.127 CN(C)Cc1cc(ccc1Br)F 270004a_100102631434_100000766564 [0,1,0,0,0,1|2,0,0]=4 4769 B12R1.127 CN(C)Cc1cc(ccc1Br)I 2230a_100102631434_100012355412 [0,1,0,0,0,1|2,0,0]=4 4770 B12R1.127 CN(C)Cc1cc(ccc1Br)I 269982a_100102631434_100012355412 [0,1,0,0,0,1|2,0,0]=4 4771 B12R1.127 CN(C)Cc1cc(ccc1Cl)Br 2230a_100102631434_100000763347 [0,1,0,0,0,1|2,0,0]=4 4772 B12R1.127 CN(C)Cc1cc(ccc1Cl)Br 269982a_100102631434_100000763347 [0,1,0,0,0,1|2,0,0]=4 4773 B12R1.127 CN(C)Cc1cc(ccc1Cl)Br 270004a_100102631434_100000746309 [0,1,0,0,0,1|2,0,0]=4 4774 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 2230a_100102631434_100000756322 [0,1,0,0,0,1|2,0,0]=4 4775 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 2230a_106354212996_200000210301 [0,1,0,0,0,1|2,0,0]=4 4776 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 269982a_100102631434_100000754809 [0,1,0,0,0,1|2,0,0]=4 4777 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 269982a_106354212996_200000210301 [0,1,0,0,0,1|2,0,0]=4 4778 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 270004a_100102631434_100000746308 [0,1,0,0,0,1|2,0,0]=4 4779 B12R1.127 CN(C)Cc1cc(ccc1Cl)Cl 34a_106354212996_200000210301 [0,1,0,0,0,1|2,0,0]=4 4780 B12R1.127 CN(C)Cc1cc(ccc1Cl)F 2230a_100102631434_100000709952 [0,1,0,0,0,1|2,0,0]=4 4781 B12R1.127 CN(C)Cc1cc(ccc1Cl)F 269982a_100102631434_100000709952 [0,1,0,0,0,1|2,0,0]=4 4782 B12R1.127 CN(C)Cc1cc(ccc1Cl)F 270004a_100102631434_100011218309 [0,1,0,0,0,1|2,0,0]=4 4783 B12R1.127 CN(C)Cc1cc(ccc1Cl)I 2230a_100102631434_100010188191 [0,1,0,0,0,1|2,0,0]=4 4784 B12R1.127 CN(C)Cc1cc(ccc1Cl)I 269982a_100102631434_100010188191 [0,1,0,0,0,1|2,0,0]=4 4785 B12R1.127 CN(C)Cc1cc(ccc1F)Br 2230a_100000748472_200000210301 [0,1,0,0,0,1|2,0,0]=4 4786 B12R1.127 CN(C)Cc1cc(ccc1F)Br 2230a_100102631434_100000736399 [0,1,0,0,0,1|2,0,0]=4 4787 B12R1.127 CN(C)Cc1cc(ccc1F)Br 269982a_100000748472_200000210301 [0,1,0,0,0,1|2,0,0]=4 4788 B12R1.127 CN(C)Cc1cc(ccc1F)Br 269982a_100102631434_100000736399 [0,1,0,0,0,1|2,0,0]=4 4789 B12R1.127 CN(C)Cc1cc(ccc1F)Br 270004a_100102631434_100000211465 [0,1,0,0,0,1|2,0,0]=4 4790 B12R1.127 CN(C)Cc1cc(ccc1F)Br 34a_100000748472_200000210301 [0,1,0,0,0,1|2,0,0]=4 4791 B12R1.127 CN(C)Cc1cc(ccc1F)Cl 2230a_100102631434_100000716957 [0,1,0,0,0,1|2,0,0]=4 4792 B12R1.127 CN(C)Cc1cc(ccc1F)Cl 269982a_100102631434_100000716957 [0,1,0,0,0,1|2,0,0]=4 4793 B12R1.127 CN(C)Cc1cc(ccc1F)Cl 270004a_100102631434_100000745245 [0,1,0,0,0,1|2,0,0]=4 4794 B12R1.127 CN(C)Cc1cc(ccc1F)F 2230a_100000724026_200000210301 [0,1,0,0,0,1|2,0,0]=4 4795 B12R1.127 CN(C)Cc1cc(ccc1F)F 2230a_100102631434_100000741279 [0,1,0,0,0,1|2,0,0]=4 4796 B12R1.127 CN(C)Cc1cc(ccc1F)F 269982a_100000724026_200000210301 [0,1,0,0,0,1|2,0,0]=4 4797 B12R1.127 CN(C)Cc1cc(ccc1F)F 269982a_100102631434_100000685659 [0,1,0,0,0,1|2,0,0]=4 4798 B12R1.127 CN(C)Cc1cc(ccc1F)F 270004a_100102631434_100000740046 [0,1,0,0,0,1|2,0,0]=4 4799 B12R1.127 CN(C)Cc1cc(ccc1F)F 34a_100000724026_200000210301 [0,1,0,0,0,1|2,0,0]=4 4800 B12R1.127 CN(C)Cc1cc(ccc1F)I 2230a_100102631434_200010149601 [0,1,0,0,0,1|2,0,0]=4 4801 B12R1.127 CN(C)Cc1cc(ccc1F)I 269982a_100102631434_200010149601 [0,1,0,0,0,1|2,0,0]=4 4802 B12R1.127 CN(C)Cc1cc(ccc1F)O 271570a_203496583355_100011597561 [0,1,0,0,0,1|2,0,0]=4 4803 B12R1.127 CN(C)Cc1cc(ccc1I)Br 2230a_100102631434_100012362523 [0,1,0,0,0,1|2,0,0]=4 4804 B12R1.127 CN(C)Cc1cc(ccc1I)Br 269982a_100102631434_100012362523 [0,1,0,0,0,1|2,0,0]=4 4805 B12R1.127 CN(C)Cc1cc(ccc1I)Br 270004a_100102631434_100010185651 [0,1,0,0,0,1|2,0,0]=4 4806 B12R1.127 CN(C)Cc1cc(ccc1I)Cl 2230a_100102631434_100012348826 [0,1,0,0,0,1|2,0,0]=4 4807 B12R1.127 CN(C)Cc1cc(ccc1I)Cl 269982a_100102631434_100012348826 [0,1,0,0,0,1|2,0,0]=4 4808 B12R1.127 CN(C)Cc1cc(ccc1I)Cl 270004a_100102631434_100010254386 [0,1,0,0,0,1|2,0,0]=4 4809 B12R1.127 CN(C)Cc1cc(ccc1I)F 2230a_100102631434_100010149606 [0,1,0,0,0,1|2,0,0]=4 4810 B12R1.127 CN(C)Cc1cc(ccc1I)F 269982a_100102631434_100010149606 [0,1,0,0,0,1|2,0,0]=4 4811 B12R1.127 CN(C)Cc1cc(ccc1I)F 270004a_100102631434_100010186294 [0,1,0,0,0,1|2,0,0]=4 4812 B12R1.127 CN(C)Cc1cc(ccc1O)Br 2230a_100011602694_200000210301 [0,1,0,0,0,1|1,0,0]=3 4813 B12R1.127 CN(C)Cc1cc(ccc1O)Br 269982a_100011602694_200000210301 [0,1,0,0,0,1|1,0,0]=3 4814 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 2230a_100000712467_200000210301 [0,1,0,0,0,1|1,0,0]=3 4815 B12R1.127 CN(C)Cc1cc(ccc1O)Cl 269982a_100000712467_200000210301 [0,1,0,0,0,1|1,0,0]=3 4816 B12R1.127 CN(C)Cc1cc(ccc1O)F 2230a_114855342409_200000210301 [0,1,0,0,0,1|1,0,0]=3 4817 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_100102631434_100010161318 [0,1,0,0,0,1|1,0,0]=3 4818 B12R1.127 CN(C)Cc1cc(ccc1O)F 269982a_114855342409_200000210301 [0,1,0,0,0,1|1,0,0]=3 4819 B12R1.127 CN(C)Cc1cc(ccc1O)F 34a_114855342409_200000210301 [0,1,0,0,0,1|1,0,0]=3 4820 B12R1.127 CN(C)Cc1cc(ccc1O)O 271570a_203496583355_100011934597 [0,1,0,0,0,1|1,0,0]=3 4821 B12R1.127 CN(C)Cc1cc(cnc1O)Br 270004a_100102631434_100010064889 [0,1,0,0,0,1|2,0,0]=4 4822 B12R1.127 CN([13CH3])Cc1cc(ccc1Br)Cl 2230a_100000711432_200025704644 [0,1,0,0,0,1|2,0,0]=4 4823 B12R1.127 CN([13CH3])Cc1cc(ccc1Br)Cl 269982a_100000711432_200025704644 [0,1,0,0,0,1|2,0,0]=4 4824 B12R1.127 CN([13CH3])Cc1cc(ccc1Cl)Cl 2230a_106354212996_200025704644 [0,1,0,0,0,1|2,0,0]=4 4825 B12R1.127 CN([13CH3])Cc1cc(ccc1Cl)Cl 269982a_106354212996_200025704644 [0,1,0,0,0,1|2,0,0]=4 4826 B12R1.127 CN([13CH3])Cc1cc(ccc1Cl)Cl 34a_106354212996_200025704644 [0,1,0,0,0,1|2,0,0]=4 4827 B12R1.127 CN([13CH3])Cc1cc(ccc1F)Br 2230a_100000748472_200025704644 [0,1,0,0,0,1|2,0,0]=4 4828 B12R1.127 CN([13CH3])Cc1cc(ccc1F)Br 269982a_100000748472_200025704644 [0,1,0,0,0,1|2,0,0]=4 4829 B12R1.127 CN([13CH3])Cc1cc(ccc1F)Br 34a_100000748472_200025704644 [0,1,0,0,0,1|2,0,0]=4 4830 B12R1.127 CN([13CH3])Cc1cc(ccc1F)F 2230a_100000724026_200025704644 [0,1,0,0,0,1|2,0,0]=4 4831 B12R1.127 CN([13CH3])Cc1cc(ccc1F)F 269982a_100000724026_200025704644 [0,1,0,0,0,1|2,0,0]=4 4832 B12R1.127 CN([13CH3])Cc1cc(ccc1F)F 34a_100000724026_200025704644 [0,1,0,0,0,1|2,0,0]=4 4833 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 2230a_100011602694_200025704644 [0,1,0,0,0,1|1,0,0]=3 4834 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Br 269982a_100011602694_200025704644 [0,1,0,0,0,1|1,0,0]=3 4835 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 2230a_100000712467_200025704644 [0,1,0,0,0,1|1,0,0]=3 4836 B12R1.127 CN([13CH3])Cc1cc(ccc1O)Cl 269982a_100000712467_200025704644 [0,1,0,0,0,1|1,0,0]=3 4837 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 2230a_114855342409_200025704644 [0,1,0,0,0,1|1,0,0]=3 4838 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 269982a_114855342409_200025704644 [0,1,0,0,0,1|1,0,0]=3 4839 B12R1.127 CN([13CH3])Cc1cc(ccc1O)F 34a_114855342409_200025704644 [0,1,0,0,0,1|1,0,0]=3 4840 B12R1.127 Cc1cc(c(cn1)Br)OC(C)C 34a_100011016184_100000210206 [0,1,0,0,0,1|2,0,0]=4 4841 B12R1.127 Cc1cc(c(cn1)C)SC(C)C 62a_100000210206_100009862788 [0,1,0,0,0,1|2,0,0]=4 4842 B12R1.127 Cc1cc(c(cn1)C)SC(C)C 62a_100009862788_100000210206 [0,1,0,0,0,1|2,0,0]=4 4843 B12R1.127 Cc1cc(c(cn1)F)NC(C)C 27a_100138425928_100009867690 [0,1,0,0,0,1|2,0,0]=4 4844 B12R1.127 Cc1cc(c(cn1)F)SC(C)C 62a_100000210206_100009867690 [0,1,0,0,0,1|2,0,0]=4 4845 B12R1.127 Cc1cc(c(cn1)F)SC(C)C 62a_100009867690_100000210206 [0,1,0,0,0,1|2,0,0]=4 4846 B12R1.127 Cc1cc(c(cn1)O)SC(C)C 62a_100000210206_100009843476 [0,1,0,0,0,1|1,0,0]=3 4847 B12R1.127 Cc1cc(c(cn1)O)SC(C)C 62a_100009843476_100000210206 [0,1,0,0,0,1|1,0,0]=3 4848 B12R1.127 Cc1ccc(c(c1)CN(C)C)Br 270004a_100102631434_100011551863 [0,1,0,0,0,1|2,0,0]=4 4849 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 2230a_100102631434_100000184699 [0,1,0,0,0,1|2,0,0]=4 4850 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 269982a_100102631434_100000184699 [0,1,0,0,0,1|2,0,0]=4 4851 B12R1.127 Cc1ccc(c(c1)CN(C)C)C 270004a_100102631434_100000211343 [0,1,0,0,0,1|2,0,0]=4 4852 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 2230a_100102631434_100009871730 [0,1,0,0,0,1|2,0,0]=4 4853 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 269982a_100102631434_100009871730 [0,1,0,0,0,1|2,0,0]=4 4854 B12R1.127 Cc1ccc(c(c1)CN(C)C)Cl 270004a_100102631434_100011551332 [0,1,0,0,0,1|2,0,0]=4 4855 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 2230a_100102631434_100011260760 [0,1,0,0,0,1|2,0,0]=4 4856 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 2230a_102515433075_200000210301 [0,1,0,0,0,1|2,0,0]=4 4857 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 269982a_100102631434_100011260760 [0,1,0,0,0,1|2,0,0]=4 4858 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 269982a_102515433075_200000210301 [0,1,0,0,0,1|2,0,0]=4 4859 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 270004a_100102631434_100000756917 [0,1,0,0,0,1|2,0,0]=4 4860 B12R1.127 Cc1ccc(c(c1)CN(C)C)F 34a_102515433075_200000210301 [0,1,0,0,0,1|2,0,0]=4 4861 B12R1.127 Cc1ccc(c(c1)CN(C)C)I 270004a_100102631434_100010150105 [0,1,0,0,0,1|2,0,0]=4 4862 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 2230a_102515433075_200025704644 [0,1,0,0,0,1|2,0,0]=4 4863 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 269982a_102515433075_200025704644 [0,1,0,0,0,1|2,0,0]=4 4864 B12R1.127 Cc1ccc(c(c1)CN(C)[13CH3])F 34a_102515433075_200025704644 [0,1,0,0,0,1|2,0,0]=4 4865 B12R1.127 Cc1ccc(c(c1)NC(C)C)Br 34a_100000745044_100000210206 [0,1,0,0,0,1|1,0,0]=3 4866 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 2230a_100000185781_100000210206 [0,1,0,0,0,1|1,0,0]=3 4867 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 34a_100000185781_100000210206 [0,1,0,0,0,1|1,0,0]=3 4868 B12R1.127 Cc1ccc(c(c1)NC(C)C)C 7a_100000185781_100000210206 [0,1,0,0,0,1|1,0,0]=3 4869 B12R1.127 Cc1ccc(c(c1)NC(C)C)Cl 34a_100011215360_100000210206 [0,1,0,0,0,1|1,0,0]=3 4870 B12R1.127 Cc1ccc(c(c1)NC(C)C)F 34a_100000211285_100000210206 [0,1,0,0,0,1|1,0,0]=3 4871 B12R1.127 Cc1ccc(c(c1)NC(C)C)I 34a_100011216686_100000210206 [0,1,0,0,0,1|1,0,0]=3 4872 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [0,1,0,0,0,1|0,0,0]=2 4873 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 34a_100012002257_100000210206 [0,1,0,0,0,1|1,0,0]=3 4874 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 7a_100012002257_100000210206 [0,1,0,0,0,1|1,0,0]=3 4875 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [0,1,0,0,0,1|1,0,0]=3 4876 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [0,1,0,0,0,1|1,0,0]=3 4877 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 34a_100000211493_100000210206 [0,1,0,0,0,1|1,0,0]=3 4878 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 7a_100000211493_100000210206 [0,1,0,0,0,1|1,0,0]=3 4879 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 34a_100000759540_100000210206 [0,1,0,0,0,1|1,0,0]=3 4880 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 7a_100000759540_100000210206 [0,1,0,0,0,1|1,0,0]=3 4881 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 34a_100000211527_100000210206 [0,1,0,0,0,1|1,0,0]=3 4882 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 7a_100000211527_100000210206 [0,1,0,0,0,1|1,0,0]=3 4883 B12R1.127 Cc1ccc(c(c1)SC(C)C)Br 62a_100000210206_100012353751 [0,1,0,0,0,1|1,0,0]=3 4884 B12R1.127 Cc1ccc(c(c1)SC(C)C)Br 62a_100012353751_100000210206 [0,1,0,0,0,1|1,0,0]=3 4885 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210206_100000210833 [0,1,0,0,0,1|1,0,0]=3 4886 B12R1.127 Cc1ccc(c(c1)SC(C)C)C 62a_100000210833_100000210206 [0,1,0,0,0,1|1,0,0]=3 4887 B12R1.127 Cc1ccc(c(c1)SC(C)C)Cl 62a_100000210206_100012356289 [0,1,0,0,0,1|1,0,0]=3 4888 B12R1.127 Cc1ccc(c(c1)SC(C)C)Cl 62a_100012356289_100000210206 [0,1,0,0,0,1|1,0,0]=3 4889 B12R1.127 Cc1ccc(c(c1)SC(C)C)F 62a_100000210206_100000736223 [0,1,0,0,0,1|1,0,0]=3 4890 B12R1.127 Cc1ccc(c(c1)SC(C)C)F 62a_100000736223_100000210206 [0,1,0,0,0,1|1,0,0]=3 4891 B12R1.127 Cc1ccc(c(c1)SC(C)C)N 62a_100000210206_100011356834 [0,1,0,0,0,1|1,0,0]=3 4892 B12R1.127 Cc1ccc(c(c1)SC(C)C)N 62a_100011356834_100000210206 [0,1,0,0,0,1|1,0,0]=3 4893 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [0,1,0,0,0,1|0,0,0]=2 4894 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [0,1,0,0,0,1|0,0,0]=2 4895 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 2230a_100102631434_100020630696 [0,1,0,0,0,1|2,0,0]=4 4896 B12R1.127 Cc1ccc(c(n1)CN(C)C)O 269982a_100102631434_100020630696 [0,1,0,0,0,1|2,0,0]=4 4897 B12R1.127 Cc1ccc(c(n1)OC(C)C)Br 34a_100009817604_100000210206 [0,1,0,0,0,1|2,0,0]=4 4898 B12R1.127 Cc1ccc(c(n1)OC(C)C)N 34a_100000687486_100000210206 [0,1,0,0,0,1|2,0,0]=4 4899 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100000210206_100009854376 [0,1,0,0,0,1|2,0,0]=4 4900 B12R1.127 Cc1ccc(c(n1)SC(C)C)C 62a_100009854376_100000210206 [0,1,0,0,0,1|2,0,0]=4 4901 B12R1.127 Cc1ccc(c(n1)SC(C)C)F 62a_100000210206_100009817602 [0,1,0,0,0,1|2,0,0]=4 4902 B12R1.127 Cc1ccc(c(n1)SC(C)C)F 62a_100009817602_100000210206 [0,1,0,0,0,1|2,0,0]=4 4903 B12R1.127 Cc1ccc(c(n1)SC(C)C)N 62a_100000210206_100000685570 [0,1,0,0,0,1|2,0,0]=4 4904 B12R1.127 Cc1ccc(c(n1)SC(C)C)N 62a_100000685570_100000210206 [0,1,0,0,0,1|2,0,0]=4 4905 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000210206_100000702858 [0,1,0,0,0,1|1,0,0]=3 4906 B12R1.127 Cc1ccc(c(n1)SC(C)C)O 62a_100000702858_100000210206 [0,1,0,0,0,1|1,0,0]=3 4907 B12R1.127 Cc1ccc(cc1CN(C)C)Br 2230a_106744473289_200000210301 [0,1,0,0,0,1|2,0,0]=4 4908 B12R1.127 Cc1ccc(cc1CN(C)C)Br 269982a_106744473289_200000210301 [0,1,0,0,0,1|2,0,0]=4 4909 B12R1.127 Cc1ccc(cc1CN(C)C)Br 270004a_100102631434_100011361606 [0,1,0,0,0,1|2,0,0]=4 4910 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 2230a_100102631434_100012186985 [0,1,0,0,0,1|2,0,0]=4 4911 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 269982a_100102631434_100012186985 [0,1,0,0,0,1|2,0,0]=4 4912 B12R1.127 Cc1ccc(cc1CN(C)C)Cl 270004a_100102631434_100011551331 [0,1,0,0,0,1|2,0,0]=4 4913 B12R1.127 Cc1ccc(cc1CN(C)C)F 2230a_100102631434_100000709795 [0,1,0,0,0,1|2,0,0]=4 4914 B12R1.127 Cc1ccc(cc1CN(C)C)F 269982a_100102631434_100000709795 [0,1,0,0,0,1|2,0,0]=4 4915 B12R1.127 Cc1ccc(cc1CN(C)C)F 270004a_100102631434_100000697687 [0,1,0,0,0,1|2,0,0]=4 4916 B12R1.127 Cc1ccc(cc1CN(C)[13CH3])Br 2230a_106744473289_200025704644 [0,1,0,0,0,1|2,0,0]=4 4917 B12R1.127 Cc1ccc(cc1CN(C)[13CH3])Br 269982a_106744473289_200025704644 [0,1,0,0,0,1|2,0,0]=4 4918 B12R1.127 Cc1ccc(cc1NC(C)C)Br 34a_100000741167_100000210206 [0,1,0,0,0,1|1,0,0]=3 4919 B12R1.127 Cc1ccc(cc1NC(C)C)Br 7a_100000741167_100000210206 [0,1,0,0,0,1|1,0,0]=3 4920 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 34a_100000211374_100000210206 [0,1,0,0,0,1|1,0,0]=3 4921 B12R1.127 Cc1ccc(cc1NC(C)C)Cl 7a_100000211374_100000210206 [0,1,0,0,0,1|1,0,0]=3 4922 B12R1.127 Cc1ccc(cc1NC(C)C)F 34a_100000211107_100000210206 [0,1,0,0,0,1|1,0,0]=3 4923 B12R1.127 Cc1ccc(cc1NC(C)C)F 7a_100000211107_100000210206 [0,1,0,0,0,1|1,0,0]=3 4924 B12R1.127 Cc1ccc(cc1NC(C)C)I 7a_100000761890_100000210206 [0,1,0,0,0,1|1,0,0]=3 4925 B12R1.127 Cc1ccc(cc1NC(C)C)O 271570a_203496583355_200000714908 [0,1,0,0,0,1|1,0,0]=3 4926 B12R1.127 Cc1ccc(cc1NC(C)C)O 34a_100011216113_100000210206 [0,1,0,0,0,1|1,0,0]=3 4927 B12R1.127 Cc1ccc(cc1OC(C)C)Br 34a_100000685420_100000210206 [0,1,0,0,0,1|1,0,0]=3 4928 B12R1.127 Cc1ccc(cc1OC(C)C)Br 7a_100000685420_100000210206 [0,1,0,0,0,1|1,0,0]=3 4929 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 34a_100000756515_100000210206 [0,1,0,0,0,1|1,0,0]=3 4930 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 7a_100000756515_100000210206 [0,1,0,0,0,1|1,0,0]=3 4931 B12R1.127 Cc1ccc(cc1OC(C)C)F 34a_100000690566_100000210206 [0,1,0,0,0,1|1,0,0]=3 4932 B12R1.127 Cc1ccc(cc1OC(C)C)F 7a_100000690566_100000210206 [0,1,0,0,0,1|1,0,0]=3 4933 B12R1.127 Cc1ccc(cc1OC(C)C)I 7a_100000766334_100000210206 [0,1,0,0,0,1|1,0,0]=3 4934 B12R1.127 Cc1ccc(cc1OC(C)C)N 34a_100000759471_100000210206 [0,1,0,0,0,1|1,0,0]=3 4935 B12R1.127 Cc1ccc(cc1OC(C)C)N 7a_100000759471_100000210206 [0,1,0,0,0,1|1,0,0]=3 4936 B12R1.127 Cc1ccc(cc1OC(C)C)O 271570a_203496583355_200012359587 [0,1,0,0,0,1|1,0,0]=3 4937 B12R1.127 Cc1ccc(cc1SC(C)C)Br 62a_100000210206_100011344865 [0,1,0,0,0,1|1,0,0]=3 4938 B12R1.127 Cc1ccc(cc1SC(C)C)Br 62a_100011344865_100000210206 [0,1,0,0,0,1|1,0,0]=3 4939 B12R1.127 Cc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011263213 [0,1,0,0,0,1|1,0,0]=3 4940 B12R1.127 Cc1ccc(cc1SC(C)C)Cl 62a_100011263213_100000210206 [0,1,0,0,0,1|1,0,0]=3 4941 B12R1.127 Cc1ccc(cc1SC(C)C)F 62a_100000210206_100011218078 [0,1,0,0,0,1|1,0,0]=3 4942 B12R1.127 Cc1ccc(cc1SC(C)C)F 62a_100011218078_100000210206 [0,1,0,0,0,1|1,0,0]=3 4943 B12R1.127 Cc1ccc(cc1SC(C)C)N 62a_100000210206_100000736455 [0,1,0,0,0,1|1,0,0]=3 4944 B12R1.127 Cc1ccc(cc1SC(C)C)N 62a_100000736455_100000210206 [0,1,0,0,0,1|1,0,0]=3 4945 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100000210206_100011380479 [0,1,0,0,0,1|1,0,0]=3 4946 B12R1.127 Cc1ccc(cc1SC(C)C)O 62a_100011380479_100000210206 [0,1,0,0,0,1|1,0,0]=3 4947 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000126722_100000210206 [0,1,0,0,0,1|2,0,0]=4 4948 B12R1.127 Cc1ccc(nc1SC(C)C)N 62a_100000210206_100000126722 [0,1,0,0,0,1|2,0,0]=4 4949 B12R1.127 Cc1cnc(c(c1)NC(C)C)F 27a_100138425928_100009820679 [0,1,0,0,0,1|2,0,0]=4 4950 B12R1.127 Cc1cnc(c(c1)OC(C)C)Cl 34a_100012000487_100000210206 [0,1,0,0,0,1|2,0,0]=4 4951 B12R1.127 Cc1cnc(c(c1)OC(C)C)Cl 7a_100012000487_100000210206 [0,1,0,0,0,1|2,0,0]=4 4952 B12R1.127 Cc1cnc(c(c1)OC(C)C)F 34a_100009849810_100000210206 [0,1,0,0,0,1|2,0,0]=4 4953 B12R1.127 Cc1cnc(c(c1)OC(C)C)F 7a_100009849810_100000210206 [0,1,0,0,0,1|2,0,0]=4 4954 B12R1.127 Cc1cnc(c(c1)SC(C)C)C 62a_100000210206_100009817436 [0,1,0,0,0,1|2,0,0]=4 4955 B12R1.127 Cc1cnc(c(c1)SC(C)C)C 62a_100009817436_100000210206 [0,1,0,0,0,1|2,0,0]=4 4956 B12R1.127 Cc1cnc(c(c1)SC(C)C)Cl 62a_100000210206_100010210167 [0,1,0,0,0,1|2,0,0]=4 4957 B12R1.127 Cc1cnc(c(c1)SC(C)C)Cl 62a_100010210167_100000210206 [0,1,0,0,0,1|2,0,0]=4 4958 B12R1.127 Cc1cnc(c(c1)SC(C)C)F 62a_100000049784_100000210206 [0,1,0,0,0,1|2,0,0]=4 4959 B12R1.127 Cc1cnc(c(c1)SC(C)C)F 62a_100000210206_100000049784 [0,1,0,0,0,1|2,0,0]=4 4960 B12R1.127 Cc1cnc(c(c1)SC(C)C)N 62a_100000049664_100000210206 [0,1,0,0,0,1|2,0,0]=4 4961 B12R1.127 Cc1cnc(c(c1)SC(C)C)N 62a_100000210206_100000049664 [0,1,0,0,0,1|2,0,0]=4 4962 B12R1.127 Cc1cnc(c(c1)SC(C)C)O 62a_100000210206_100000719714 [0,1,0,0,0,1|1,0,0]=3 4963 B12R1.127 Cc1cnc(c(c1)SC(C)C)O 62a_100000719714_100000210206 [0,1,0,0,0,1|1,0,0]=3 4964 B12R1.127 Cc1cnc(cc1NC(C)C)F 27a_100138425928_100000049870 [0,1,0,0,0,1|2,0,0]=4 4965 B12R1.127 Cc1cnc(cc1OC(C)C)Br 34a_100000704368_100000210206 [0,1,0,0,0,1|2,0,0]=4 4966 B12R1.127 Cc1cnc(cc1OC(C)C)Br 7a_100000704368_100000210206 [0,1,0,0,0,1|2,0,0]=4 4967 B12R1.127 Cc1cnc(cc1SC(C)C)Br 62a_100000210206_100010067628 [0,1,0,0,0,1|2,0,0]=4 4968 B12R1.127 Cc1cnc(cc1SC(C)C)Br 62a_100010067628_100000210206 [0,1,0,0,0,1|2,0,0]=4 4969 B12R1.127 Cc1cnc(cc1SC(C)C)Cl 62a_100000210206_100010068021 [0,1,0,0,0,1|2,0,0]=4 4970 B12R1.127 Cc1cnc(cc1SC(C)C)Cl 62a_100010068021_100000210206 [0,1,0,0,0,1|2,0,0]=4 4971 B12R1.127 Cc1cnc(cc1SC(C)C)F 62a_100000049870_100000210206 [0,1,0,0,0,1|2,0,0]=4 4972 B12R1.127 Cc1cnc(cc1SC(C)C)F 62a_100000210206_100000049870 [0,1,0,0,0,1|2,0,0]=4 4973 B12R1.127 Cc1cnc(cc1SC(C)C)N 62a_100000210206_100009819938 [0,1,0,0,0,1|2,0,0]=4 4974 B12R1.127 Cc1cnc(cc1SC(C)C)N 62a_100009819938_100000210206 [0,1,0,0,0,1|2,0,0]=4 4975 B12R1.127 Cc1cnc(cc1SC(C)C)O 62a_100000210206_100009831917 [0,1,0,0,0,1|2,0,0]=4 4976 B12R1.127 Cc1cnc(cc1SC(C)C)O 62a_100009831917_100000210206 [0,1,0,0,0,1|2,0,0]=4 4977 B12R1.127 Cc1ncc(cc1OC(C)C)Br 34a_100009864810_100000210206 [0,1,0,0,0,1|2,0,0]=4 4978 B12R1.127 Cc1ncc(cc1OC(C)C)Br 7a_100009864810_100000210206 [0,1,0,0,0,1|2,0,0]=4 4979 B12R1.127 Cc1ncc(cc1SC(C)C)Br 62a_100000210206_200010090566 [0,1,0,0,0,1|2,0,0]=4 4980 B12R1.127 Cc1ncc(cc1SC(C)C)Br 62a_200010090566_100000210206 [0,1,0,0,0,1|2,0,0]=4 4981 B12R1.127 Cc1ncc(cc1SC(C)C)F 62a_100000210206_100009860710 [0,1,0,0,0,1|2,0,0]=4 4982 B12R1.127 Cc1ncc(cc1SC(C)C)F 62a_100009860710_100000210206 [0,1,0,0,0,1|2,0,0]=4 4983 B12R1.127 Cc1ncc(cc1SC(C)C)N 62a_100000210206_100011998591 [0,1,0,0,0,1|2,0,0]=4 4984 B12R1.127 Cc1ncc(cc1SC(C)C)N 62a_100011998591_100000210206 [0,1,0,0,0,1|2,0,0]=4 4985 B12R1.127 Cc1ncc(cc1SC(C)C)O 62a_100000210206_100009819603 [0,1,0,0,0,1|2,0,0]=4 4986 B12R1.127 Cc1ncc(cc1SC(C)C)O 62a_100009819603_100000210206 [0,1,0,0,0,1|2,0,0]=4 4987 B12R1.127 Oc1ccc(cc1OC(F)F)F 271570a_203496583355_100000727826 [0,1,0,0,0,1|2,0,0]=4 4988 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,1,0,0,0,1|1,0,1]=4 4989 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,0,0,0,1|1,0,1]=4 4990 B12R1.151 CC(C)(C)Nc1ccccc1Br 34a_100000210017_100000210625 [0,1,0,0,0,1|1,0,0]=3 4991 B12R1.151 CC(C)(C)Nc1ccccc1Cl 34a_100000185783_100000210625 [0,1,0,0,0,1|1,0,0]=3 4992 B12R1.151 CC(C)(C)Nc1ccccc1F 34a_100000210422_100000210625 [0,1,0,0,0,1|1,0,0]=3 4993 B12R1.151 CC(C)(C)Nc1ccccc1I 34a_100000210053_100000210625 [0,1,0,0,0,1|1,0,0]=3 4994 B12R1.151 CC(C)(C)Nc1ccccc1O 34a_100000185747_100000210625 [0,1,0,0,0,1|0,0,0]=2 4995 B12R1.151 CC(C)(C)Oc1ccccc1Br 34a_100000181306_100000210625 [0,1,0,0,0,1|1,0,0]=3 4996 B12R1.151 CC(C)(C)Oc1ccccc1Cl 34a_100000210172_100000210625 [0,1,0,0,0,1|1,0,0]=3 4997 B12R1.151 CC(C)(C)Oc1ccccc1F 34a_100000210171_100000210625 [0,1,0,0,0,1|1,0,0]=3 4998 B12R1.151 CC(C)(C)Oc1ccccc1I 34a_100000739446_100000210625 [0,1,0,0,0,1|1,0,0]=3 4999 B12R1.151 CC(C)(C)Oc1ccccc1N 34a_100000185747_100000210625 [0,1,0,0,0,1|1,0,0]=3 5000 B12R1.151 CC(C)(C)Oc1ccccc1O 271570a_203496583355_100010078496 [0,1,0,0,0,1|0,0,0]=2 5001 B12R1.151 CC(C)(C)Oc1cccnc1Br 34a_100000744436_100000210625 [0,1,0,0,0,1|2,0,0]=4 5002 B12R1.151 CC(C)(C)Oc1cccnc1Cl 34a_100000757616_100000210625 [0,1,0,0,0,1|2,0,0]=4 5003 B12R1.151 CC(C)(C)Oc1cccnc1F 34a_100000061740_100000210625 [0,1,0,0,0,1|2,0,0]=4 5004 B12R1.151 CC(C)(C)Oc1cccnc1I 34a_100000034122_100000210625 [0,1,0,0,0,1|2,0,0]=4 5005 B12R1.151 CC(C)(C)Oc1cccnc1N 34a_100000211975_100000210625 [0,1,0,0,0,1|2,0,0]=4 5006 B12R1.151 CC(C)(C)Oc1cccoc1=O 34a_100000077404_100000210625 [0,1,0,0,0,1|1,0,1]=4 5007 B12R1.151 CC(C)(C)Oc1ccncc1Br 34a_100011996408_100000210625 [0,1,0,0,0,1|2,0,0]=4 5008 B12R1.151 CC(C)(C)Oc1ccncc1Cl 34a_100011997054_100000210625 [0,1,0,0,0,1|2,0,0]=4 5009 B12R1.151 CC(C)(C)Oc1ccncc1F 34a_200000081243_100000210625 [0,1,0,0,0,1|2,0,0]=4 5010 B12R1.151 CC(C)(C)Oc1cnccc1Cl 34a_100011996695_100000210625 [0,1,0,0,0,1|2,0,0]=4 5011 B12R1.151 CC(C)(C)Oc1cnccc1I 34a_100000050107_100000210625 [0,1,0,0,0,1|2,0,0]=4 5012 B12R1.151 CC(C)(C)Oc1cnccc1N 34a_100000753702_100000210625 [0,1,0,0,0,1|2,0,0]=4 5013 B12R1.151 CC(C)(C)Oc1coccc1=O 34a_100000060831_100000210625 [0,1,0,0,0,1|1,0,1]=4 5014 B12R1.151 CC(C)(C)Oc1ncccc1Cl 34a_100011290957_100000210625 [0,1,0,0,0,1|2,0,0]=4 5015 B12R1.151 CC(C)(C)Oc1ncccc1F 34a_100011219419_100000210625 [0,1,0,0,0,1|2,0,0]=4 5016 B12R1.151 CC(C)(C)Oc1ncccc1N 34a_100000746358_100000210625 [0,1,0,0,0,1|2,0,0]=4 5017 B12R1.151 CC(C)(C)Oc1ncccc1O 271570a_203496583355_100011465193 [0,1,0,0,0,1|1,0,0]=3 5018 B12R1.151 CC(C)(C)Sc1c[nH]ccc1=O 62a_100000211941_100009998708 [0,1,0,0,0,1|1,0,1]=4 5019 B12R1.151 CC(C)(C)Sc1c[nH]ccc1=O 62a_100009998708_100000211941 [0,1,0,0,0,1|1,0,1]=4 5020 B12R1.151 CC(C)(C)Sc1c[nH]ccc1=S 62a_100000211941_200012280681 [0,1,0,0,0,1|1,1,0]=4 5021 B12R1.151 CC(C)(C)Sc1c[nH]ccc1=S 62a_200012280681_100000211941 [0,1,0,0,0,1|1,1,0]=4 5022 B12R1.151 CC(C)(C)Sc1cccc[n+]1[O-] 62a_100000211941_200000042595 [0,1,0,0,0,1|1,0,1]=4 5023 B12R1.151 CC(C)(C)Sc1ccccc1Br 62a_100000211941_100000695589 [0,1,0,0,0,1|1,0,0]=3 5024 B12R1.151 CC(C)(C)Sc1ccccc1Br 62a_100000695589_100000211941 [0,1,0,0,0,1|1,0,0]=3 5025 B12R1.151 CC(C)(C)Sc1ccccc1Cl 62a_100000211941_100000764095 [0,1,0,0,0,1|1,0,0]=3 5026 B12R1.151 CC(C)(C)Sc1ccccc1Cl 62a_100000764095_100000211941 [0,1,0,0,0,1|1,0,0]=3 5027 B12R1.151 CC(C)(C)Sc1ccccc1F 62a_100000211941_100011215700 [0,1,0,0,0,1|1,0,0]=3 5028 B12R1.151 CC(C)(C)Sc1ccccc1F 62a_100011215700_100000211941 [0,1,0,0,0,1|1,0,0]=3 5029 B12R1.151 CC(C)(C)Sc1ccccc1N 62a_100000210017_100000211941 [0,1,0,0,0,1|1,0,0]=3 5030 B12R1.151 CC(C)(C)Sc1ccccc1N 62a_100000211941_100000210017 [0,1,0,0,0,1|1,0,0]=3 5031 B12R1.151 CC(C)(C)Sc1ccccc1O 62a_100000211941_100000739446 [0,1,0,0,0,1|0,0,0]=2 5032 B12R1.151 CC(C)(C)Sc1ccccc1O 62a_100000739446_100000211941 [0,1,0,0,0,1|0,0,0]=2 5033 B12R1.151 CC(C)(C)Sc1cccnc1Br 62a_100000211941_100010202626 [0,1,0,0,0,1|2,0,0]=4 5034 B12R1.151 CC(C)(C)Sc1cccnc1Br 62a_100010202626_100000211941 [0,1,0,0,0,1|2,0,0]=4 5035 B12R1.151 CC(C)(C)Sc1cccnc1Cl 62a_100000036424_100000211941 [0,1,0,0,0,1|2,0,0]=4 5036 B12R1.151 CC(C)(C)Sc1cccnc1Cl 62a_100000211941_100000036424 [0,1,0,0,0,1|2,0,0]=4 5037 B12R1.151 CC(C)(C)Sc1cccnc1F 62a_100000211941_100009816115 [0,1,0,0,0,1|2,0,0]=4 5038 B12R1.151 CC(C)(C)Sc1cccnc1F 62a_100009816115_100000211941 [0,1,0,0,0,1|2,0,0]=4 5039 B12R1.151 CC(C)(C)Sc1cccnc1N 62a_100000045569_100000211941 [0,1,0,0,0,1|2,0,0]=4 5040 B12R1.151 CC(C)(C)Sc1cccnc1N 62a_100000211941_100000045569 [0,1,0,0,0,1|2,0,0]=4 5041 B12R1.151 CC(C)(C)Sc1cccnc1O 62a_100000211941_100000760158 [0,1,0,0,0,1|1,0,0]=3 5042 B12R1.151 CC(C)(C)Sc1cccnc1O 62a_100000760158_100000211941 [0,1,0,0,0,1|1,0,0]=3 5043 B12R1.151 CC(C)(C)Sc1ccncc1Br 62a_100000211941_100000726257 [0,1,0,0,0,1|2,0,0]=4 5044 B12R1.151 CC(C)(C)Sc1ccncc1Br 62a_100000726257_100000211941 [0,1,0,0,0,1|2,0,0]=4 5045 B12R1.151 CC(C)(C)Sc1ccncc1Cl 62a_100000211941_100000708259 [0,1,0,0,0,1|2,0,0]=4 5046 B12R1.151 CC(C)(C)Sc1ccncc1Cl 62a_100000708259_100000211941 [0,1,0,0,0,1|2,0,0]=4 5047 B12R1.151 CC(C)(C)Sc1ccncc1F 62a_100000047030_100000211941 [0,1,0,0,0,1|2,0,0]=4 5048 B12R1.151 CC(C)(C)Sc1ccncc1F 62a_100000211941_100000047030 [0,1,0,0,0,1|2,0,0]=4 5049 B12R1.151 CC(C)(C)Sc1ccncc1N 62a_100000211941_100000756074 [0,1,0,0,0,1|2,0,0]=4 5050 B12R1.151 CC(C)(C)Sc1ccncc1N 62a_100000756074_100000211941 [0,1,0,0,0,1|2,0,0]=4 5051 B12R1.151 CC(C)(C)Sc1ccncc1O 62a_100000211941_100009817591 [0,1,0,0,0,1|1,0,0]=3 5052 B12R1.151 CC(C)(C)Sc1ccncc1O 62a_100009817591_100000211941 [0,1,0,0,0,1|1,0,0]=3 5053 B12R1.151 CC(C)(C)Sc1cnccc1Br 62a_100000211941_100010138639 [0,1,0,0,0,1|2,0,0]=4 5054 B12R1.151 CC(C)(C)Sc1cnccc1Br 62a_100010138639_100000211941 [0,1,0,0,0,1|2,0,0]=4 5055 B12R1.151 CC(C)(C)Sc1cnccc1Cl 62a_100000211941_100009995489 [0,1,0,0,0,1|2,0,0]=4 5056 B12R1.151 CC(C)(C)Sc1cnccc1Cl 62a_100009995489_100000211941 [0,1,0,0,0,1|2,0,0]=4 5057 B12R1.151 CC(C)(C)Sc1cnccc1F 62a_100000211941_100009820683 [0,1,0,0,0,1|2,0,0]=4 5058 B12R1.151 CC(C)(C)Sc1cnccc1F 62a_100009820683_100000211941 [0,1,0,0,0,1|2,0,0]=4 5059 B12R1.151 CC(C)(C)Sc1cnccc1N 62a_100000047001_100000211941 [0,1,0,0,0,1|2,0,0]=4 5060 B12R1.151 CC(C)(C)Sc1cnccc1N 62a_100000211941_100000047001 [0,1,0,0,0,1|2,0,0]=4 5061 B12R1.151 CC(C)(C)Sc1cncnc1O 62a_100000211941_100000751107 [0,1,0,0,0,1|2,0,0]=4 5062 B12R1.151 CC(C)(C)Sc1cncnc1O 62a_100000751107_100000211941 [0,1,0,0,0,1|2,0,0]=4 5063 B12R1.151 CC(C)(C)Sc1ncccc1Br 62a_100000211941_100000696092 [0,1,0,0,0,1|2,0,0]=4 5064 B12R1.151 CC(C)(C)Sc1ncccc1Br 62a_100000696092_100000211941 [0,1,0,0,0,1|2,0,0]=4 5065 B12R1.151 CC(C)(C)Sc1ncccc1Cl 62a_100000211941_100011356963 [0,1,0,0,0,1|2,0,0]=4 5066 B12R1.151 CC(C)(C)Sc1ncccc1Cl 62a_100011356963_100000211941 [0,1,0,0,0,1|2,0,0]=4 5067 B12R1.151 CC(C)(C)Sc1ncccc1F 62a_100000211941_100000685392 [0,1,0,0,0,1|2,0,0]=4 5068 B12R1.151 CC(C)(C)Sc1ncccc1F 62a_100000685392_100000211941 [0,1,0,0,0,1|2,0,0]=4 5069 B12R1.151 CC(C)(C)Sc1ncccc1N 62a_100000211941_100000688686 [0,1,0,0,0,1|2,0,0]=4 5070 B12R1.151 CC(C)(C)Sc1ncccc1N 62a_100000688686_100000211941 [0,1,0,0,0,1|2,0,0]=4 5071 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000034122_100000211941 [0,1,0,0,0,1|1,0,0]=3 5072 B12R1.151 CC(C)(C)Sc1ncccc1O 62a_100000211941_100000034122 [0,1,0,0,0,1|1,0,0]=3 5073 B12R1.151 CC(C)(N)Cc1ccccc1O 271570a_203496583355_100161000475 [0,1,0,0,0,1|0,0,0]=2 5074 B12R1.151 CS(=O)(=O)Cc1ccccc1O 271570a_203496583355_100009814642 [0,1,0,0,0,1|2,0,0]=4 5075 B12R1.151 CS(=O)(=O)Nc1ccccc1O 271570a_203496583355_100000165598 [0,1,0,0,0,1|2,0,0]=4 5076 B12R1.151 C[n+]1ccccc1SC(C)(C)C 62a_100000211941_100000212160 [0,1,0,0,0,1|2,0,0]=4 5077 B12R1.151 Cc1ccccc1NC(C)(C)C 34a_100015192222_100000210625 [0,1,0,0,0,1|1,0,0]=3 5078 B12R1.151 Cc1ccccc1OC(C)(C)C 34a_100000210338_100000210625 [0,1,0,0,0,1|1,0,0]=3 5079 B12R1.151 Cc1ccccc1SC(C)(C)C 62a_100000210755_100000211941 [0,1,0,0,0,1|1,0,0]=3 5080 B12R1.151 Cc1ccccc1SC(C)(C)C 62a_100000211941_100000210755 [0,1,0,0,0,1|1,0,0]=3 5081 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000211941_100000751373 [0,1,0,0,0,1|2,0,0]=4 5082 B12R1.151 Cc1cccnc1SC(C)(C)C 62a_100000751373_100000211941 [0,1,0,0,0,1|2,0,0]=4 5083 B12R1.151 Cc1ccncc1OC(C)(C)C 34a_100011997053_100000210625 [0,1,0,0,0,1|2,0,0]=4 5084 B12R1.151 Cc1ccncc1SC(C)(C)C 62a_100000211941_100000761580 [0,1,0,0,0,1|2,0,0]=4 5085 B12R1.151 Cc1ccncc1SC(C)(C)C 62a_100000761580_100000211941 [0,1,0,0,0,1|2,0,0]=4 5086 B12R1.151 Cc1cnccc1OC(C)(C)C 34a_100000694293_100000210625 [0,1,0,0,0,1|2,0,0]=4 5087 B12R1.151 Cc1cnccc1SC(C)(C)C 62a_100000211941_100000765111 [0,1,0,0,0,1|2,0,0]=4 5088 B12R1.151 Cc1cnccc1SC(C)(C)C 62a_100000765111_100000211941 [0,1,0,0,0,1|2,0,0]=4 5089 B12R1.151 Cc1ncccc1OC(C)(C)C 34a_100000745507_100000210625 [0,1,0,0,0,1|2,0,0]=4 5090 B12R1.151 Cc1ncccc1SC(C)(C)C 62a_100000211941_100000751574 [0,1,0,0,0,1|2,0,0]=4 5091 B12R1.151 Cc1ncccc1SC(C)(C)C 62a_100000751574_100000211941 [0,1,0,0,0,1|2,0,0]=4 5092 B12R1.151 Oc1ccccc1CC(F)(F)F 271570a_203496583355_100010220485 [0,1,0,0,0,1|2,0,0]=4 5093 B12R1.151 Oc1ccccc1NC(F)(F)F 34a_100000185747_200103152311 [0,1,0,0,0,1|2,0,0]=4 5094 B12R1.151 Oc1ccccc1OC(F)(F)F 271570a_203496583355_100000216699 [0,1,0,0,0,1|2,0,0]=4 5095 B12R1.151 Oc1ccccc1SC(F)(F)F 62a_100000739446_200103152311 [0,1,0,0,0,1|2,0,0]=4 5096 B12R1.151 Oc1ccccc1SC(F)(F)F 62a_200000243211_100000739446 [0,1,0,0,0,1|2,0,0]=4 5097 B12R1.224 CC(=Cc1cccc(c1Br)O)C 271570a_100102525489_100010187914 [0,1,0,0,0,1|1,0,1]=4 5098 B12R1.224 CC(=Cc1cccc(c1C)Br)C 271570a_100102525489_100012353703 [0,1,0,0,0,1|1,0,1]=4 5099 B12R1.224 CC(=Cc1cccc(c1C)C)C 271570a_100102525489_100011214922 [0,1,0,0,0,1|1,0,1]=4 5100 B12R1.224 CC(=Cc1cccc(c1C)Cl)C 271570a_100102525489_100000726075 [0,1,0,0,0,1|1,0,1]=4 5101 B12R1.224 CC(=Cc1cccc(c1C)F)C 271570a_100102525489_100011216893 [0,1,0,0,0,1|1,0,1]=4 5102 B12R1.224 CC(=Cc1cccc(c1C)N)C 271570a_100102525489_100000761887 [0,1,0,0,0,1|1,0,1]=4 5103 B12R1.224 CC(=Cc1cccc(c1C)O)C 271570a_100102525489_100012002258 [0,1,0,0,0,1|1,0,1]=4 5104 B12R1.224 CC(=Cc1cccc(c1Cl)Br)C 271570a_100102525489_100010142854 [0,1,0,0,0,1|1,0,1]=4 5105 B12R1.224 CC(=Cc1cccc(c1Cl)C)C 271570a_100102525489_200012352035 [0,1,0,0,0,1|1,0,1]=4 5106 B12R1.224 CC(=Cc1cccc(c1Cl)Cl)C 271570a_100102525489_100011215384 [0,1,0,0,0,1|1,0,1]=4 5107 B12R1.224 CC(=Cc1cccc(c1Cl)F)C 271570a_100102525489_200010234923 [0,1,0,0,0,1|1,0,1]=4 5108 B12R1.224 CC(=Cc1cccc(c1Cl)O)C 271570a_100102525489_100000049636 [0,1,0,0,0,1|1,0,1]=4 5109 B12R1.224 CC(=Cc1cccc(c1F)Br)C 271570a_100102525489_100000702267 [0,1,0,0,0,1|1,0,1]=4 5110 B12R1.224 CC(=Cc1cccc(c1F)C)C 271570a_100102525489_100000717567 [0,1,0,0,0,1|1,0,1]=4 5111 B12R1.224 CC(=Cc1cccc(c1F)Cl)C 271570a_100102525489_100011217346 [0,1,0,0,0,1|1,0,1]=4 5112 B12R1.224 CC(=Cc1cccc(c1F)F)C 271570a_100102525489_100000694657 [0,1,0,0,0,1|1,0,1]=4 5113 B12R1.224 CC(=Cc1cccc(c1F)N)C 271570a_100102525489_100011935091 [0,1,0,0,0,1|1,0,1]=4 5114 B12R1.224 CC(=Cc1cccc(c1F)O)C 271570a_100102525489_100009817021 [0,1,0,0,0,1|1,0,1]=4 5115 B12R1.224 CC(=Cc1cccc(c1N)Br)C 271570a_100102525489_100010146558 [0,1,0,0,0,1|1,0,1]=4 5116 B12R1.224 CC(=Cc1cccc(c1N)C)C 271570a_100102525489_100011834072 [0,1,0,0,0,1|1,0,1]=4 5117 B12R1.224 CC(=Cc1cccc(c1N)Cl)C 271570a_100102525489_100010190421 [0,1,0,0,0,1|1,0,1]=4 5118 B12R1.224 CC(=Cc1cccc(c1N)F)C 271570a_100102525489_100000042321 [0,1,0,0,0,1|1,0,1]=4 5119 B12R1.224 CC(=Cc1cccc(c1N)N)C 271570a_100102525489_100015191791 [0,1,0,0,0,1|1,0,1]=4 5120 B12R1.224 CC(=Cc1cccc(c1N)O)C 271570a_100102525489_100011934926 [0,1,0,0,0,1|1,0,1]=4 5121 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,1,0,0,0,1|0,0,1]=3 5122 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,1,0,0,0,1|0,0,1]=3 5123 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,1,0,0,0,1|0,0,1]=3 5124 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,1,0,0,0,1|0,0,1]=3 5125 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,1,0,0,0,1|0,0,1]=3 5126 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,1,0,0,0,1|0,0,1]=3 5127 B12R1.224 CC(=Cc1nccc(c1O)C)C 271570a_100102525489_100000696282 [0,1,0,0,0,1|1,0,1]=4 5128 B12R1.224 CC(=Cc1nccc(c1O)F)C 271570a_100102525489_100009867227 [0,1,0,0,0,1|1,0,1]=4 5129 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,1,0,0,0,1|1,0,1]=4 5130 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,1,0,0,0,1|1,0,1]=4 5131 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,1|1,0,1]=4 5132 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,1|1,0,1]=4 5133 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,1|1,0,1]=4 5134 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,1|1,0,1]=4 5135 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,1,0,0,0,1|1,0,1]=4 5136 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,1,0,0,0,1|1,0,1]=4 5137 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,1,0,0,0,1|1,0,1]=4 5138 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,1,0,0,0,1|1,0,1]=4 5139 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,1,0,0,0,1|1,0,1]=4 5140 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,1,0,0,0,1|1,0,1]=4 5141 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,1,0,0,0,1|1,0,1]=4 5142 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,1,0,0,0,1|1,0,1]=4 5143 B12R1.224 CC(C)Nc1cccc(c1Br)Cl 34a_100000687072_100000210206 [0,1,0,0,0,1|1,0,0]=3 5144 B12R1.224 CC(C)Nc1cccc(c1Br)F 34a_100011934729_100000210206 [0,1,0,0,0,1|1,0,0]=3 5145 B12R1.224 CC(C)Nc1cccc(c1Br)O 34a_100012183704_100000210206 [0,1,0,0,0,1|1,0,0]=3 5146 B12R1.224 CC(C)Nc1cccc(c1Br)O 7a_100012183704_100000210206 [0,1,0,0,0,1|1,0,0]=3 5147 B12R1.224 CC(C)Nc1cccc(c1Cl)Br 34a_100000687075_100000210206 [0,1,0,0,0,1|1,0,0]=3 5148 B12R1.224 CC(C)Nc1cccc(c1Cl)Cl 34a_100000185733_100000210206 [0,1,0,0,0,1|1,0,0]=3 5149 B12R1.224 CC(C)Nc1cccc(c1Cl)F 34a_100000692321_100000210206 [0,1,0,0,0,1|1,0,0]=3 5150 B12R1.224 CC(C)Nc1cccc(c1Cl)O 34a_100012002038_100000210206 [0,1,0,0,0,1|1,0,0]=3 5151 B12R1.224 CC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000210206 [0,1,0,0,0,1|1,0,0]=3 5152 B12R1.224 CC(C)Nc1cccc(c1F)Br 2230a_100011935091_100000210206 [0,1,0,0,0,1|1,0,0]=3 5153 B12R1.224 CC(C)Nc1cccc(c1F)Br 34a_100011935091_100000210206 [0,1,0,0,0,1|1,0,0]=3 5154 B12R1.224 CC(C)Nc1cccc(c1F)Cl 2230a_100000199060_100000210206 [0,1,0,0,0,1|1,0,0]=3 5155 B12R1.224 CC(C)Nc1cccc(c1F)Cl 34a_100000199060_100000210206 [0,1,0,0,0,1|1,0,0]=3 5156 B12R1.224 CC(C)Nc1cccc(c1F)F 34a_100000743855_100000210206 [0,1,0,0,0,1|1,0,0]=3 5157 B12R1.224 CC(C)Nc1cccc(c1I)Br 34a_100020590159_100000210206 [0,1,0,0,0,1|1,0,0]=3 5158 B12R1.224 CC(C)Nc1cccc(c1I)Cl 34a_100000049713_100000210206 [0,1,0,0,0,1|1,0,0]=3 5159 B12R1.224 CC(C)Nc1cccc(c1I)F 34a_100000690935_100000210206 [0,1,0,0,0,1|1,0,0]=3 5160 B12R1.224 CC(C)Nc1cccc(c1O)Br 34a_100011934915_100000210206 [0,1,0,0,0,1|0,0,0]=2 5161 B12R1.224 CC(C)Nc1cccc(c1O)Cl 34a_100000754742_100000210206 [0,1,0,0,0,1|0,0,0]=2 5162 B12R1.224 CC(C)Nc1cccc(c1O)F 34a_100011934987_100000210206 [0,1,0,0,0,1|0,0,0]=2 5163 B12R1.224 CC(C)Nc1ccnc(c1Br)F 27a_100138425928_100010006599 [0,1,0,0,0,1|2,0,0]=4 5164 B12R1.224 CC(C)Nc1ccnc(c1Cl)F 27a_100138425928_100010067886 [0,1,0,0,0,1|2,0,0]=4 5165 B12R1.224 CC(C)Nc1ccnc(c1F)F 27a_100138425928_100010214882 [0,1,0,0,0,1|2,0,0]=4 5166 B12R1.224 CC(C)Oc1cccc(c1Br)Br 34a_100010187966_100000210206 [0,1,0,0,0,1|1,0,0]=3 5167 B12R1.224 CC(C)Oc1cccc(c1Br)Br 7a_100010187966_100000210206 [0,1,0,0,0,1|1,0,0]=3 5168 B12R1.224 CC(C)Oc1cccc(c1Br)Cl 34a_100012348804_100000210206 [0,1,0,0,0,1|1,0,0]=3 5169 B12R1.224 CC(C)Oc1cccc(c1Br)Cl 7a_100012348804_100000210206 [0,1,0,0,0,1|1,0,0]=3 5170 B12R1.224 CC(C)Oc1cccc(c1Br)F 34a_100009820682_100000210206 [0,1,0,0,0,1|1,0,0]=3 5171 B12R1.224 CC(C)Oc1cccc(c1Br)F 7a_100009820682_100000210206 [0,1,0,0,0,1|1,0,0]=3 5172 B12R1.224 CC(C)Oc1cccc(c1Br)I 34a_100010187914_100000210206 [0,1,0,0,0,1|1,0,0]=3 5173 B12R1.224 CC(C)Oc1cccc(c1Br)I 7a_100010187914_100000210206 [0,1,0,0,0,1|1,0,0]=3 5174 B12R1.224 CC(C)Oc1cccc(c1Br)N 34a_100012183704_100000210206 [0,1,0,0,0,1|1,0,0]=3 5175 B12R1.224 CC(C)Oc1cccc(c1Br)N 7a_100012183704_100000210206 [0,1,0,0,0,1|1,0,0]=3 5176 B12R1.224 CC(C)Oc1cccc(c1Cl)Br 34a_100010187913_100000210206 [0,1,0,0,0,1|1,0,0]=3 5177 B12R1.224 CC(C)Oc1cccc(c1Cl)Br 7a_100010187913_100000210206 [0,1,0,0,0,1|1,0,0]=3 5178 B12R1.224 CC(C)Oc1cccc(c1Cl)Cl 34a_100000211076_100000210206 [0,1,0,0,0,1|1,0,0]=3 5179 B12R1.224 CC(C)Oc1cccc(c1Cl)Cl 7a_100000211076_100000210206 [0,1,0,0,0,1|1,0,0]=3 5180 B12R1.224 CC(C)Oc1cccc(c1Cl)F 34a_100000087408_100000210206 [0,1,0,0,0,1|1,0,0]=3 5181 B12R1.224 CC(C)Oc1cccc(c1Cl)F 7a_100000087408_100000210206 [0,1,0,0,0,1|1,0,0]=3 5182 B12R1.224 CC(C)Oc1cccc(c1Cl)I 34a_100000049636_100000210206 [0,1,0,0,0,1|1,0,0]=3 5183 B12R1.224 CC(C)Oc1cccc(c1Cl)I 7a_100000049636_100000210206 [0,1,0,0,0,1|1,0,0]=3 5184 B12R1.224 CC(C)Oc1cccc(c1Cl)N 34a_100012002038_100000210206 [0,1,0,0,0,1|1,0,0]=3 5185 B12R1.224 CC(C)Oc1cccc(c1Cl)N 7a_100012002038_100000210206 [0,1,0,0,0,1|1,0,0]=3 5186 B12R1.224 CC(C)Oc1cccc(c1F)Br 34a_100009817021_100000210206 [0,1,0,0,0,1|1,0,0]=3 5187 B12R1.224 CC(C)Oc1cccc(c1F)Br 7a_100009817021_100000210206 [0,1,0,0,0,1|1,0,0]=3 5188 B12R1.224 CC(C)Oc1cccc(c1F)Cl 34a_100000687438_100000210206 [0,1,0,0,0,1|1,0,0]=3 5189 B12R1.224 CC(C)Oc1cccc(c1F)Cl 7a_100000687438_100000210206 [0,1,0,0,0,1|1,0,0]=3 5190 B12R1.224 CC(C)Oc1cccc(c1F)F 34a_100000751161_100000210206 [0,1,0,0,0,1|1,0,0]=3 5191 B12R1.224 CC(C)Oc1cccc(c1F)F 7a_100000751161_100000210206 [0,1,0,0,0,1|1,0,0]=3 5192 B12R1.224 CC(C)Oc1cccc(c1I)Br 34a_100010187912_100000210206 [0,1,0,0,0,1|1,0,0]=3 5193 B12R1.224 CC(C)Oc1cccc(c1I)Br 7a_100010187912_100000210206 [0,1,0,0,0,1|1,0,0]=3 5194 B12R1.224 CC(C)Oc1cccc(c1I)Cl 34a_100000050174_100000210206 [0,1,0,0,0,1|1,0,0]=3 5195 B12R1.224 CC(C)Oc1cccc(c1I)Cl 7a_100000050174_100000210206 [0,1,0,0,0,1|1,0,0]=3 5196 B12R1.224 CC(C)Oc1cccc(c1I)F 34a_100000690913_100000210206 [0,1,0,0,0,1|1,0,0]=3 5197 B12R1.224 CC(C)Oc1cccc(c1I)F 7a_100000690913_100000210206 [0,1,0,0,0,1|1,0,0]=3 5198 B12R1.224 CC(C)Oc1cccc(c1N)Br 34a_100011934926_100000210206 [0,1,0,0,0,1|1,0,0]=3 5199 B12R1.224 CC(C)Oc1cccc(c1N)Br 7a_100011934926_100000210206 [0,1,0,0,0,1|1,0,0]=3 5200 B12R1.224 CC(C)Oc1cccc(c1N)Cl 34a_100012022510_100000210206 [0,1,0,0,0,1|1,0,0]=3 5201 B12R1.224 CC(C)Oc1cccc(c1N)Cl 7a_100012022510_100000210206 [0,1,0,0,0,1|1,0,0]=3 5202 B12R1.224 CC(C)Oc1cccc(c1N)F 34a_100020591140_100000210206 [0,1,0,0,0,1|1,0,0]=3 5203 B12R1.224 CC(C)Oc1cccc(c1N)F 7a_100020591140_100000210206 [0,1,0,0,0,1|1,0,0]=3 5204 B12R1.224 CC(C)Oc1cccc(c1N)I 34a_200000049512_100000210206 [0,1,0,0,0,1|1,0,0]=3 5205 B12R1.224 CC(C)Oc1cccc(c1N)I 7a_200000049512_100000210206 [0,1,0,0,0,1|1,0,0]=3 5206 B12R1.224 CC(C)Oc1cccc(c1N)N 34a_100000033209_100000210206 [0,1,0,0,0,1|1,0,0]=3 5207 B12R1.224 CC(C)Oc1cccn(c1=O)C 34a_100000117616_100000210206 [0,1,0,0,0,1|1,0,1]=4 5208 B12R1.224 CC(C)Oc1cccn(c1=O)C 7a_100000117616_100000210206 [0,1,0,0,0,1|1,0,1]=4 5209 B12R1.224 CC(C)Oc1ccnc(c1Br)Cl 34a_100010136240_100000210206 [0,1,0,0,0,1|2,0,0]=4 5210 B12R1.224 CC(C)Oc1ccnc(c1Cl)Cl 34a_100009860235_100000210206 [0,1,0,0,0,1|2,0,0]=4 5211 B12R1.224 CC(C)Oc1ccnc(c1F)Br 34a_100009876375_100000210206 [0,1,0,0,0,1|2,0,0]=4 5212 B12R1.224 CC(C)Oc1ccnc(c1F)Cl 34a_100009856406_100000210206 [0,1,0,0,0,1|2,0,0]=4 5213 B12R1.224 CC(C)Oc1ccnc(c1N)Cl 34a_100000128729_100000210206 [0,1,0,0,0,1|2,0,0]=4 5214 B12R1.224 CC(C)Oc1nccc(c1Cl)N 34a_200000093555_100000210206 [0,1,0,0,0,1|2,0,0]=4 5215 B12R1.224 CC(C)Sc1cccc(=O)n1C 62a_100000210206_100000726605 [0,1,0,0,0,1|2,0,0]=4 5216 B12R1.224 CC(C)Sc1cccc(=O)n1C 62a_100000726605_100000210206 [0,1,0,0,0,1|2,0,0]=4 5217 B12R1.224 CC(C)Sc1cccc(c1Br)Br 62a_100000210206_100010175083 [0,1,0,0,0,1|1,0,0]=3 5218 B12R1.224 CC(C)Sc1cccc(c1Br)Br 62a_100010175083_100000210206 [0,1,0,0,0,1|1,0,0]=3 5219 B12R1.224 CC(C)Sc1cccc(c1Br)Cl 62a_100000210206_100014021842 [0,1,0,0,0,1|1,0,0]=3 5220 B12R1.224 CC(C)Sc1cccc(c1Br)Cl 62a_100014021842_100000210206 [0,1,0,0,0,1|1,0,0]=3 5221 B12R1.224 CC(C)Sc1cccc(c1Br)F 62a_100000210206_100010202630 [0,1,0,0,0,1|1,0,0]=3 5222 B12R1.224 CC(C)Sc1cccc(c1Br)F 62a_100010202630_100000210206 [0,1,0,0,0,1|1,0,0]=3 5223 B12R1.224 CC(C)Sc1cccc(c1Br)O 62a_100000210206_100010187914 [0,1,0,0,0,1|1,0,0]=3 5224 B12R1.224 CC(C)Sc1cccc(c1Br)O 62a_100010187914_100000210206 [0,1,0,0,0,1|1,0,0]=3 5225 B12R1.224 CC(C)Sc1cccc(c1Cl)Br 62a_100000210206_100010142854 [0,1,0,0,0,1|1,0,0]=3 5226 B12R1.224 CC(C)Sc1cccc(c1Cl)Br 62a_100010142854_100000210206 [0,1,0,0,0,1|1,0,0]=3 5227 B12R1.224 CC(C)Sc1cccc(c1Cl)Cl 62a_100000210206_100011215384 [0,1,0,0,0,1|1,0,0]=3 5228 B12R1.224 CC(C)Sc1cccc(c1Cl)Cl 62a_100011215384_100000210206 [0,1,0,0,0,1|1,0,0]=3 5229 B12R1.224 CC(C)Sc1cccc(c1Cl)F 62a_100000210206_200010234923 [0,1,0,0,0,1|1,0,0]=3 5230 B12R1.224 CC(C)Sc1cccc(c1Cl)F 62a_200010234923_100000210206 [0,1,0,0,0,1|1,0,0]=3 5231 B12R1.224 CC(C)Sc1cccc(c1Cl)O 62a_100000210206_100000049636 [0,1,0,0,0,1|1,0,0]=3 5232 B12R1.224 CC(C)Sc1cccc(c1F)Br 62a_100000210206_100000702267 [0,1,0,0,0,1|1,0,0]=3 5233 B12R1.224 CC(C)Sc1cccc(c1F)Br 62a_100000702267_100000210206 [0,1,0,0,0,1|1,0,0]=3 5234 B12R1.224 CC(C)Sc1cccc(c1F)Cl 62a_100000210206_100011217346 [0,1,0,0,0,1|1,0,0]=3 5235 B12R1.224 CC(C)Sc1cccc(c1F)Cl 62a_100011217346_100000210206 [0,1,0,0,0,1|1,0,0]=3 5236 B12R1.224 CC(C)Sc1cccc(c1F)F 62a_100000210206_100000694657 [0,1,0,0,0,1|1,0,0]=3 5237 B12R1.224 CC(C)Sc1cccc(c1F)F 62a_100000694657_100000210206 [0,1,0,0,0,1|1,0,0]=3 5238 B12R1.224 CC(C)Sc1cccc(c1F)N 62a_100000210206_100011935091 [0,1,0,0,0,1|1,0,0]=3 5239 B12R1.224 CC(C)Sc1cccc(c1F)N 62a_100011935091_100000210206 [0,1,0,0,0,1|1,0,0]=3 5240 B12R1.224 CC(C)Sc1cccc(c1F)O 62a_100000210206_100009817021 [0,1,0,0,0,1|1,0,0]=3 5241 B12R1.224 CC(C)Sc1cccc(c1F)O 62a_100009817021_100000210206 [0,1,0,0,0,1|1,0,0]=3 5242 B12R1.224 CC(C)Sc1cccc(c1N)Br 62a_100000210206_100010146558 [0,1,0,0,0,1|1,0,0]=3 5243 B12R1.224 CC(C)Sc1cccc(c1N)Br 62a_100010146558_100000210206 [0,1,0,0,0,1|1,0,0]=3 5244 B12R1.224 CC(C)Sc1cccc(c1N)Cl 62a_100000210206_100010190421 [0,1,0,0,0,1|1,0,0]=3 5245 B12R1.224 CC(C)Sc1cccc(c1N)Cl 62a_100010190421_100000210206 [0,1,0,0,0,1|1,0,0]=3 5246 B12R1.224 CC(C)Sc1cccc(c1N)F 62a_100000042321_100000210206 [0,1,0,0,0,1|1,0,0]=3 5247 B12R1.224 CC(C)Sc1cccc(c1N)F 62a_100000210206_100000042321 [0,1,0,0,0,1|1,0,0]=3 5248 B12R1.224 CC(C)Sc1cccc(c1N)N 62a_100015191791_100000210206 [0,1,0,0,0,1|1,0,0]=3 5249 B12R1.224 CC(C)Sc1cccc(c1N)O 62a_100000210206_100011934926 [0,1,0,0,0,1|1,0,0]=3 5250 B12R1.224 CC(C)Sc1cccc(c1O)Br 62a_100000210206_100010084509 [0,1,0,0,0,1|0,0,0]=2 5251 B12R1.224 CC(C)Sc1cccc(c1O)Br 62a_100010084509_100000210206 [0,1,0,0,0,1|0,0,0]=2 5252 B12R1.224 CC(C)Sc1cccc(c1O)Cl 62a_100000210206_100010202889 [0,1,0,0,0,1|0,0,0]=2 5253 B12R1.224 CC(C)Sc1cccc(c1O)Cl 62a_100010202889_100000210206 [0,1,0,0,0,1|0,0,0]=2 5254 B12R1.224 CC(C)Sc1cccc(c1O)F 62a_100000210206_100009813666 [0,1,0,0,0,1|0,0,0]=2 5255 B12R1.224 CC(C)Sc1cccc(c1O)F 62a_100009813666_100000210206 [0,1,0,0,0,1|0,0,0]=2 5256 B12R1.224 CC(C)Sc1cccc(c1O)N 62a_100000210206_100010084371 [0,1,0,0,0,1|0,0,0]=2 5257 B12R1.224 CC(C)Sc1cccc(c1O)N 62a_100011934915_100000210206 [0,1,0,0,0,1|0,0,0]=2 5258 B12R1.224 CC(C)Sc1cccc(c1O)O 62a_100000210206_100009815950 [0,1,0,0,0,1|0,0,0]=2 5259 B12R1.224 CC(C)Sc1cccn(c1=O)C 62a_100000210206_100000687173 [0,1,0,0,0,1|1,0,1]=4 5260 B12R1.224 CC(C)Sc1cccn(c1=O)C 62a_100000687173_100000210206 [0,1,0,0,0,1|1,0,1]=4 5261 B12R1.224 CC(C)Sc1ccnc(c1Br)F 62a_100000210206_100010006599 [0,1,0,0,0,1|2,0,0]=4 5262 B12R1.224 CC(C)Sc1ccnc(c1Br)F 62a_100010006599_100000210206 [0,1,0,0,0,1|2,0,0]=4 5263 B12R1.224 CC(C)Sc1ccnc(c1Cl)Cl 62a_100000210206_100010246212 [0,1,0,0,0,1|2,0,0]=4 5264 B12R1.224 CC(C)Sc1ccnc(c1Cl)Cl 62a_100010246212_100000210206 [0,1,0,0,0,1|2,0,0]=4 5265 B12R1.224 CC(C)Sc1ccnc(c1Cl)F 62a_100000210206_100010067886 [0,1,0,0,0,1|2,0,0]=4 5266 B12R1.224 CC(C)Sc1ccnc(c1Cl)F 62a_100010067886_100000210206 [0,1,0,0,0,1|2,0,0]=4 5267 B12R1.224 CC(C)Sc1ccnc(c1Cl)N 62a_100000210206_100010735111 [0,1,0,0,0,1|2,0,0]=4 5268 B12R1.224 CC(C)Sc1ccnc(c1Cl)N 62a_100010735111_100000210206 [0,1,0,0,0,1|2,0,0]=4 5269 B12R1.224 CC(C)Sc1ccnc(c1F)Br 62a_100000210206_200015269031 [0,1,0,0,0,1|2,0,0]=4 5270 B12R1.224 CC(C)Sc1ccnc(c1F)Br 62a_200015269031_100000210206 [0,1,0,0,0,1|2,0,0]=4 5271 B12R1.224 CC(C)Sc1ccnc(c1F)Cl 62a_100000210206_100010150473 [0,1,0,0,0,1|2,0,0]=4 5272 B12R1.224 CC(C)Sc1ccnc(c1F)Cl 62a_100010150473_100000210206 [0,1,0,0,0,1|2,0,0]=4 5273 B12R1.224 CC(C)Sc1ccnc(c1F)F 62a_100000210206_100010214882 [0,1,0,0,0,1|2,0,0]=4 5274 B12R1.224 CC(C)Sc1ccnc(c1F)F 62a_100010214882_100000210206 [0,1,0,0,0,1|2,0,0]=4 5275 B12R1.224 CC(C)Sc1ccnc(c1F)N 62a_100000210206_100010077785 [0,1,0,0,0,1|2,0,0]=4 5276 B12R1.224 CC(C)Sc1ccnc(c1F)N 62a_100010077785_100000210206 [0,1,0,0,0,1|2,0,0]=4 5277 B12R1.224 CC(C)Sc1ccnc(c1N)N 62a_100000124095_100000210206 [0,1,0,0,0,1|2,0,0]=4 5278 B12R1.224 CC(C)Sc1ccnc(c1O)Cl 62a_100000210206_100010067911 [0,1,0,0,0,1|1,0,0]=3 5279 B12R1.224 CC(C)Sc1cncc(c1N)Br 62a_100000210206_100011290786 [0,1,0,0,0,1|2,0,0]=4 5280 B12R1.224 CC(C)Sc1cncc(c1N)Br 62a_100011290786_100000210206 [0,1,0,0,0,1|2,0,0]=4 5281 B12R1.224 CC(C)Sc1cncc(c1N)Cl 62a_100000210206_100000684942 [0,1,0,0,0,1|2,0,0]=4 5282 B12R1.224 CC(C)Sc1cncc(c1N)Cl 62a_100000684942_100000210206 [0,1,0,0,0,1|2,0,0]=4 5283 B12R1.224 CC(C)Sc1cncc(c1N)F 62a_100000210206_100009880649 [0,1,0,0,0,1|2,0,0]=4 5284 B12R1.224 CC(C)Sc1cncc(c1N)F 62a_100009880649_100000210206 [0,1,0,0,0,1|2,0,0]=4 5285 B12R1.224 CC(C)Sc1cncc(c1N)N 62a_100000210206_100000694774 [0,1,0,0,0,1|2,0,0]=4 5286 B12R1.224 CC(C)Sc1cncc(c1N)N 62a_100000694774_100000210206 [0,1,0,0,0,1|2,0,0]=4 5287 B12R1.224 CC(C)Sc1cncc(c1O)N 62a_100000210206_100000694263 [0,1,0,0,0,1|1,0,0]=3 5288 B12R1.224 CC(C)Sc1cncc(c1O)N 62a_100000694263_100000210206 [0,1,0,0,0,1|1,0,0]=3 5289 B12R1.224 CC(C)Sc1nccc(c1F)N 62a_100000210206_100015205195 [0,1,0,0,0,1|2,0,0]=4 5290 B12R1.224 CC(C)Sc1nccc(c1F)N 62a_100015205195_100000210206 [0,1,0,0,0,1|2,0,0]=4 5291 B12R1.224 CC(C)Sc1nccc(c1F)O 62a_100000210206_100009876375 [0,1,0,0,0,1|2,0,0]=4 5292 B12R1.224 CC(C)Sc1nccc(c1F)O 62a_100009876375_100000210206 [0,1,0,0,0,1|2,0,0]=4 5293 B12R1.224 CC(C)Sc1nccc(c1N)N 62a_100000085203_100000210206 [0,1,0,0,0,1|2,0,0]=4 5294 B12R1.224 CC(C)Sc1nccc(c1N)N 62a_100000210206_100000085203 [0,1,0,0,0,1|2,0,0]=4 5295 B12R1.224 CC(C)Sc1nccc(c1O)F 62a_100000210206_100009867227 [0,1,0,0,0,1|1,0,0]=3 5296 B12R1.224 CC(C)Sc1nccc(c1O)N 62a_100000210206_100009844647 [0,1,0,0,0,1|1,0,0]=3 5297 B12R1.224 CC(C)Sc1ncnc(c1O)N 62a_100000210206_100000124137 [0,1,0,0,0,1|2,0,0]=4 5298 B12R1.224 CN(C)Cc1cccc(c1Br)Br 270004a_100102631434_100010240334 [0,1,0,0,0,1|2,0,0]=4 5299 B12R1.224 CN(C)Cc1cccc(c1Br)Cl 2230a_100102631434_100010145525 [0,1,0,0,0,1|2,0,0]=4 5300 B12R1.224 CN(C)Cc1cccc(c1Br)Cl 269982a_100102631434_100010145525 [0,1,0,0,0,1|2,0,0]=4 5301 B12R1.224 CN(C)Cc1cccc(c1Br)Cl 270004a_100102631434_100010232083 [0,1,0,0,0,1|2,0,0]=4 5302 B12R1.224 CN(C)Cc1cccc(c1Br)F 2230a_100102631434_100012351116 [0,1,0,0,0,1|2,0,0]=4 5303 B12R1.224 CN(C)Cc1cccc(c1Br)F 269982a_100102631434_100012351116 [0,1,0,0,0,1|2,0,0]=4 5304 B12R1.224 CN(C)Cc1cccc(c1Br)F 270004a_100102631434_100011934749 [0,1,0,0,0,1|2,0,0]=4 5305 B12R1.224 CN(C)Cc1cccc(c1Br)I 2230a_100102631434_100010254545 [0,1,0,0,0,1|2,0,0]=4 5306 B12R1.224 CN(C)Cc1cccc(c1Br)I 269982a_100102631434_100010254545 [0,1,0,0,0,1|2,0,0]=4 5307 B12R1.224 CN(C)Cc1cccc(c1Cl)Br 2230a_100102631434_100012349491 [0,1,0,0,0,1|2,0,0]=4 5308 B12R1.224 CN(C)Cc1cccc(c1Cl)Br 269982a_100102631434_100012349491 [0,1,0,0,0,1|2,0,0]=4 5309 B12R1.224 CN(C)Cc1cccc(c1Cl)Br 270004a_100102631434_100012362481 [0,1,0,0,0,1|2,0,0]=4 5310 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 2230a_100000690605_200000210301 [0,1,0,0,0,1|2,0,0]=4 5311 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 2230a_100102631434_100000723366 [0,1,0,0,0,1|2,0,0]=4 5312 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 269982a_100000690605_200000210301 [0,1,0,0,0,1|2,0,0]=4 5313 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 269982a_100102631434_100000720918 [0,1,0,0,0,1|2,0,0]=4 5314 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 270004a_100102631434_100000210504 [0,1,0,0,0,1|2,0,0]=4 5315 B12R1.224 CN(C)Cc1cccc(c1Cl)Cl 34a_100000690605_200000210301 [0,1,0,0,0,1|2,0,0]=4 5316 B12R1.224 CN(C)Cc1cccc(c1Cl)F 2230a_100102631434_100000696688 [0,1,0,0,0,1|2,0,0]=4 5317 B12R1.224 CN(C)Cc1cccc(c1Cl)F 269982a_100102631434_100000696688 [0,1,0,0,0,1|2,0,0]=4 5318 B12R1.224 CN(C)Cc1cccc(c1Cl)F 270004a_100102631434_100011998484 [0,1,0,0,0,1|2,0,0]=4 5319 B12R1.224 CN(C)Cc1cccc(c1Cl)O 270004a_100102631434_100000050521 [0,1,0,0,0,1|2,0,0]=4 5320 B12R1.224 CN(C)Cc1cccc(c1F)Br 2230a_100102631434_100012356506 [0,1,0,0,0,1|2,0,0]=4 5321 B12R1.224 CN(C)Cc1cccc(c1F)Br 2230a_114873767014_200000210301 [0,1,0,0,0,1|2,0,0]=4 5322 B12R1.224 CN(C)Cc1cccc(c1F)Br 269982a_100102631434_100012356506 [0,1,0,0,0,1|2,0,0]=4 5323 B12R1.224 CN(C)Cc1cccc(c1F)Br 269982a_114873767014_200000210301 [0,1,0,0,0,1|2,0,0]=4 5324 B12R1.224 CN(C)Cc1cccc(c1F)Br 270004a_100102631434_100011361543 [0,1,0,0,0,1|2,0,0]=4 5325 B12R1.224 CN(C)Cc1cccc(c1F)Br 34a_114873767014_200000210301 [0,1,0,0,0,1|2,0,0]=4 5326 B12R1.224 CN(C)Cc1cccc(c1F)Cl 2230a_100102631434_100000716733 [0,1,0,0,0,1|2,0,0]=4 5327 B12R1.224 CN(C)Cc1cccc(c1F)Cl 269982a_100102631434_100000716733 [0,1,0,0,0,1|2,0,0]=4 5328 B12R1.224 CN(C)Cc1cccc(c1F)Cl 270004a_100102631434_100000766533 [0,1,0,0,0,1|2,0,0]=4 5329 B12R1.224 CN(C)Cc1cccc(c1F)F 2230a_100102631434_100000217499 [0,1,0,0,0,1|2,0,0]=4 5330 B12R1.224 CN(C)Cc1cccc(c1F)F 2230a_102515433064_200000210301 [0,1,0,0,0,1|2,0,0]=4 5331 B12R1.224 CN(C)Cc1cccc(c1F)F 269982a_100102631434_100000217499 [0,1,0,0,0,1|2,0,0]=4 5332 B12R1.224 CN(C)Cc1cccc(c1F)F 269982a_102515433064_200000210301 [0,1,0,0,0,1|2,0,0]=4 5333 B12R1.224 CN(C)Cc1cccc(c1F)F 270004a_100102631434_100000753312 [0,1,0,0,0,1|2,0,0]=4 5334 B12R1.224 CN(C)Cc1cccc(c1F)F 34a_102515433064_200000210301 [0,1,0,0,0,1|2,0,0]=4 5335 B12R1.224 CN(C)Cc1cccc(c1F)I 270004a_100102631434_100010202174 [0,1,0,0,0,1|2,0,0]=4 5336 B12R1.224 CN(C)Cc1cccc(c1I)F 2230a_100102631434_100010149603 [0,1,0,0,0,1|2,0,0]=4 5337 B12R1.224 CN(C)Cc1cccc(c1I)F 269982a_100102631434_100010149603 [0,1,0,0,0,1|2,0,0]=4 5338 B12R1.224 CN(C)Cc1cccc(c1I)F 270004a_100102631434_100010186293 [0,1,0,0,0,1|2,0,0]=4 5339 B12R1.224 CN([13CH3])Cc1cccc(c1Cl)Cl 2230a_100000690605_200025704644 [0,1,0,0,0,1|2,0,0]=4 5340 B12R1.224 CN([13CH3])Cc1cccc(c1Cl)Cl 269982a_100000690605_200025704644 [0,1,0,0,0,1|2,0,0]=4 5341 B12R1.224 CN([13CH3])Cc1cccc(c1Cl)Cl 34a_100000690605_200025704644 [0,1,0,0,0,1|2,0,0]=4 5342 B12R1.224 CN([13CH3])Cc1cccc(c1F)Br 2230a_114873767014_200025704644 [0,1,0,0,0,1|2,0,0]=4 5343 B12R1.224 CN([13CH3])Cc1cccc(c1F)Br 269982a_114873767014_200025704644 [0,1,0,0,0,1|2,0,0]=4 5344 B12R1.224 CN([13CH3])Cc1cccc(c1F)Br 34a_114873767014_200025704644 [0,1,0,0,0,1|2,0,0]=4 5345 B12R1.224 CN([13CH3])Cc1cccc(c1F)F 2230a_102515433064_200025704644 [0,1,0,0,0,1|2,0,0]=4 5346 B12R1.224 CN([13CH3])Cc1cccc(c1F)F 269982a_102515433064_200025704644 [0,1,0,0,0,1|2,0,0]=4 5347 B12R1.224 CN([13CH3])Cc1cccc(c1F)F 34a_102515433064_200025704644 [0,1,0,0,0,1|2,0,0]=4 5348 B12R1.224 Cc1c(cccc1CN(C)C)Br 2230a_100102631434_100000694682 [0,1,0,0,0,1|2,0,0]=4 5349 B12R1.224 Cc1c(cccc1CN(C)C)Br 269982a_100102631434_100000694682 [0,1,0,0,0,1|2,0,0]=4 5350 B12R1.224 Cc1c(cccc1CN(C)C)Br 270004a_100102631434_100012179384 [0,1,0,0,0,1|2,0,0]=4 5351 B12R1.224 Cc1c(cccc1CN(C)C)Cl 2230a_100102631434_100012186920 [0,1,0,0,0,1|2,0,0]=4 5352 B12R1.224 Cc1c(cccc1CN(C)C)Cl 269982a_100102631434_100012186920 [0,1,0,0,0,1|2,0,0]=4 5353 B12R1.224 Cc1c(cccc1CN(C)C)Cl 270004a_100102631434_100012002129 [0,1,0,0,0,1|2,0,0]=4 5354 B12R1.224 Cc1c(cccc1CN(C)C)F 2230a_100102631434_100009813626 [0,1,0,0,0,1|2,0,0]=4 5355 B12R1.224 Cc1c(cccc1CN(C)C)F 269982a_100102631434_100009813626 [0,1,0,0,0,1|2,0,0]=4 5356 B12R1.224 Cc1c(cccc1CN(C)C)F 270004a_100102631434_100000037668 [0,1,0,0,0,1|2,0,0]=4 5357 B12R1.224 Cc1c(cccc1CN(C)C)I 2230a_100102631434_100010150147 [0,1,0,0,0,1|2,0,0]=4 5358 B12R1.224 Cc1c(cccc1CN(C)C)I 269982a_100102631434_100010150147 [0,1,0,0,0,1|2,0,0]=4 5359 B12R1.224 Cc1c(cccc1CN(C)C)O 270004a_100102631434_100009868165 [0,1,0,0,0,1|2,0,0]=4 5360 B12R1.224 Cc1c(cccc1NC(C)C)Br 34a_100000750434_100000210206 [0,1,0,0,0,1|1,0,0]=3 5361 B12R1.224 Cc1c(cccc1NC(C)C)Cl 2230a_100000210441_100000210206 [0,1,0,0,0,1|1,0,0]=3 5362 B12R1.224 Cc1c(cccc1NC(C)C)Cl 34a_100000210441_100000210206 [0,1,0,0,0,1|1,0,0]=3 5363 B12R1.224 Cc1c(cccc1NC(C)C)Cl 7a_100000210441_100000210206 [0,1,0,0,0,1|1,0,0]=3 5364 B12R1.224 Cc1c(cccc1NC(C)C)F 34a_100000745574_100000210206 [0,1,0,0,0,1|1,0,0]=3 5365 B12R1.224 Cc1c(cccc1NC(C)C)F 7a_100000745574_100000210206 [0,1,0,0,0,1|1,0,0]=3 5366 B12R1.224 Cc1c(cccc1NC(C)C)I 34a_100000761887_100000210206 [0,1,0,0,0,1|1,0,0]=3 5367 B12R1.224 Cc1c(cccc1NC(C)C)O 34a_100011216573_100000210206 [0,1,0,0,0,1|1,0,0]=3 5368 B12R1.224 Cc1c(cccc1NC(C)C)O 7a_100011216573_100000210206 [0,1,0,0,0,1|1,0,0]=3 5369 B12R1.224 Cc1c(cccc1OC(C)C)Br 34a_100012002258_100000210206 [0,1,0,0,0,1|1,0,0]=3 5370 B12R1.224 Cc1c(cccc1OC(C)C)Br 7a_100012002258_100000210206 [0,1,0,0,0,1|1,0,0]=3 5371 B12R1.224 Cc1c(cccc1OC(C)C)Cl 34a_100011265684_100000210206 [0,1,0,0,0,1|1,0,0]=3 5372 B12R1.224 Cc1c(cccc1OC(C)C)Cl 7a_100011265684_100000210206 [0,1,0,0,0,1|1,0,0]=3 5373 B12R1.224 Cc1c(cccc1OC(C)C)F 34a_100011217231_100000210206 [0,1,0,0,0,1|1,0,0]=3 5374 B12R1.224 Cc1c(cccc1OC(C)C)F 7a_100011217231_100000210206 [0,1,0,0,0,1|1,0,0]=3 5375 B12R1.224 Cc1c(cccc1OC(C)C)N 34a_100011216573_100000210206 [0,1,0,0,0,1|1,0,0]=3 5376 B12R1.224 Cc1c(cccc1OC(C)C)N 7a_100011216573_100000210206 [0,1,0,0,0,1|1,0,0]=3 5377 B12R1.224 Cc1c(cccc1SC(C)C)Br 62a_100000210206_100012353703 [0,1,0,0,0,1|1,0,0]=3 5378 B12R1.224 Cc1c(cccc1SC(C)C)Br 62a_100012353703_100000210206 [0,1,0,0,0,1|1,0,0]=3 5379 B12R1.224 Cc1c(cccc1SC(C)C)Cl 62a_100000210206_100000726075 [0,1,0,0,0,1|1,0,0]=3 5380 B12R1.224 Cc1c(cccc1SC(C)C)Cl 62a_100000726075_100000210206 [0,1,0,0,0,1|1,0,0]=3 5381 B12R1.224 Cc1c(cccc1SC(C)C)F 62a_100000210206_100011216893 [0,1,0,0,0,1|1,0,0]=3 5382 B12R1.224 Cc1c(cccc1SC(C)C)F 62a_100011216893_100000210206 [0,1,0,0,0,1|1,0,0]=3 5383 B12R1.224 Cc1c(cccc1SC(C)C)N 62a_100000210206_100000761887 [0,1,0,0,0,1|1,0,0]=3 5384 B12R1.224 Cc1c(cccc1SC(C)C)N 62a_100000761887_100000210206 [0,1,0,0,0,1|1,0,0]=3 5385 B12R1.224 Cc1c(cccc1SC(C)C)O 62a_100000210206_100012002258 [0,1,0,0,0,1|1,0,0]=3 5386 B12R1.224 Cc1c(cccc1SC(C)C)O 62a_100012002258_100000210206 [0,1,0,0,0,1|1,0,0]=3 5387 B12R1.224 Cc1c(ccnc1Cl)SC(C)C 62a_100000047055_100000210206 [0,1,0,0,0,1|2,0,0]=4 5388 B12R1.224 Cc1c(ccnc1Cl)SC(C)C 62a_100000210206_100000047055 [0,1,0,0,0,1|2,0,0]=4 5389 B12R1.224 Cc1c(ccnc1F)NC(C)C 27a_100138425928_100010006593 [0,1,0,0,0,1|2,0,0]=4 5390 B12R1.224 Cc1c(ccnc1F)SC(C)C 62a_100000210206_100010006593 [0,1,0,0,0,1|2,0,0]=4 5391 B12R1.224 Cc1c(ccnc1F)SC(C)C 62a_100010006593_100000210206 [0,1,0,0,0,1|2,0,0]=4 5392 B12R1.224 Cc1c(ccnc1N)SC(C)C 62a_100000210206_100009865460 [0,1,0,0,0,1|2,0,0]=4 5393 B12R1.224 Cc1c(ccnc1N)SC(C)C 62a_100009865460_100000210206 [0,1,0,0,0,1|2,0,0]=4 5394 B12R1.224 Cc1c(ccnc1NC(C)C)F 27a_100138425928_100009846374 [0,1,0,0,0,1|2,0,0]=4 5395 B12R1.224 Cc1c(ccnc1O)SC(C)C 62a_100000210206_100009858498 [0,1,0,0,0,1|2,0,0]=4 5396 B12R1.224 Cc1c(ccnc1O)SC(C)C 62a_100009858498_100000210206 [0,1,0,0,0,1|2,0,0]=4 5397 B12R1.224 Cc1c(ccnc1OC(C)C)Br 34a_100009858498_100000210206 [0,1,0,0,0,1|2,0,0]=4 5398 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100000210206_100009846374 [0,1,0,0,0,1|2,0,0]=4 5399 B12R1.224 Cc1c(ccnc1SC(C)C)F 62a_100009846374_100000210206 [0,1,0,0,0,1|2,0,0]=4 5400 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000210206_100000690622 [0,1,0,0,0,1|2,0,0]=4 5401 B12R1.224 Cc1c(ccnc1SC(C)C)N 62a_100000690622_100000210206 [0,1,0,0,0,1|2,0,0]=4 5402 B12R1.224 Cc1c(cncc1SC(C)C)Br 62a_100000210206_100010109657 [0,1,0,0,0,1|2,0,0]=4 5403 B12R1.224 Cc1c(cncc1SC(C)C)Br 62a_100010109657_100000210206 [0,1,0,0,0,1|2,0,0]=4 5404 B12R1.224 Cc1c(cncc1SC(C)C)F 62a_100000210206_100009881546 [0,1,0,0,0,1|2,0,0]=4 5405 B12R1.224 Cc1c(cncc1SC(C)C)F 62a_100009881546_100000210206 [0,1,0,0,0,1|2,0,0]=4 5406 B12R1.224 Cc1c(cncc1SC(C)C)N 62a_100000210206_100011998293 [0,1,0,0,0,1|2,0,0]=4 5407 B12R1.224 Cc1c(cncc1SC(C)C)N 62a_100011998293_100000210206 [0,1,0,0,0,1|2,0,0]=4 5408 B12R1.224 Cc1cccc(c1Br)CN(C)C 2230a_100102631434_200012349612 [0,1,0,0,0,1|2,0,0]=4 5409 B12R1.224 Cc1cccc(c1Br)CN(C)C 269982a_100102631434_200012349612 [0,1,0,0,0,1|2,0,0]=4 5410 B12R1.224 Cc1cccc(c1Br)CN(C)C 270004a_100102631434_100012186367 [0,1,0,0,0,1|2,0,0]=4 5411 B12R1.224 Cc1cccc(c1Br)NC(C)C 34a_100000684715_100000210206 [0,1,0,0,0,1|1,0,0]=3 5412 B12R1.224 Cc1cccc(c1Br)OC(C)C 34a_100000686692_100000210206 [0,1,0,0,0,1|1,0,0]=3 5413 B12R1.224 Cc1cccc(c1Br)OC(C)C 7a_100000686692_100000210206 [0,1,0,0,0,1|1,0,0]=3 5414 B12R1.224 Cc1cccc(c1Br)SC(C)C 62a_100000210206_100012362457 [0,1,0,0,0,1|1,0,0]=3 5415 B12R1.224 Cc1cccc(c1Br)SC(C)C 62a_100012362457_100000210206 [0,1,0,0,0,1|1,0,0]=3 5416 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100000207598_200000210301 [0,1,0,0,0,1|2,0,0]=4 5417 B12R1.224 Cc1cccc(c1C)CN(C)C 2230a_100102631434_100011515928 [0,1,0,0,0,1|2,0,0]=4 5418 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100000207598_200000210301 [0,1,0,0,0,1|2,0,0]=4 5419 B12R1.224 Cc1cccc(c1C)CN(C)C 269982a_100102631434_100011515928 [0,1,0,0,0,1|2,0,0]=4 5420 B12R1.224 Cc1cccc(c1C)CN(C)C 270004a_100102631434_100000229941 [0,1,0,0,0,1|2,0,0]=4 5421 B12R1.224 Cc1cccc(c1C)CN(C)C 34a_100000207598_200000210301 [0,1,0,0,0,1|2,0,0]=4 5422 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 2230a_100000207598_200025704644 [0,1,0,0,0,1|2,0,0]=4 5423 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 269982a_100000207598_200025704644 [0,1,0,0,0,1|2,0,0]=4 5424 B12R1.224 Cc1cccc(c1C)CN(C)[13CH3] 34a_100000207598_200025704644 [0,1,0,0,0,1|2,0,0]=4 5425 B12R1.224 Cc1cccc(c1C)NC(C)C 2230a_100000210026_100000210206 [0,1,0,0,0,1|1,0,0]=3 5426 B12R1.224 Cc1cccc(c1C)NC(C)C 34a_100000210026_100000210206 [0,1,0,0,0,1|1,0,0]=3 5427 B12R1.224 Cc1cccc(c1C)NC(C)C 7a_100000210026_100000210206 [0,1,0,0,0,1|1,0,0]=3 5428 B12R1.224 Cc1cccc(c1C)OC(C)C 34a_100000185855_100000210206 [0,1,0,0,0,1|1,0,0]=3 5429 B12R1.224 Cc1cccc(c1C)OC(C)C 7a_100000185855_100000210206 [0,1,0,0,0,1|1,0,0]=3 5430 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100000210206_100011214922 [0,1,0,0,0,1|1,0,0]=3 5431 B12R1.224 Cc1cccc(c1C)SC(C)C 62a_100011214922_100000210206 [0,1,0,0,0,1|1,0,0]=3 5432 B12R1.224 Cc1cccc(c1Cl)CN(C)C 270004a_100102631434_100012017286 [0,1,0,0,0,1|2,0,0]=4 5433 B12R1.224 Cc1cccc(c1Cl)NC(C)C 34a_100000765562_100000210206 [0,1,0,0,0,1|1,0,0]=3 5434 B12R1.224 Cc1cccc(c1Cl)NC(C)C 7a_100000765562_100000210206 [0,1,0,0,0,1|1,0,0]=3 5435 B12R1.224 Cc1cccc(c1Cl)OC(C)C 34a_100000695629_100000210206 [0,1,0,0,0,1|1,0,0]=3 5436 B12R1.224 Cc1cccc(c1Cl)OC(C)C 7a_100000695629_100000210206 [0,1,0,0,0,1|1,0,0]=3 5437 B12R1.224 Cc1cccc(c1Cl)SC(C)C 62a_100000210206_200012352035 [0,1,0,0,0,1|1,0,0]=3 5438 B12R1.224 Cc1cccc(c1Cl)SC(C)C 62a_200012352035_100000210206 [0,1,0,0,0,1|1,0,0]=3 5439 B12R1.224 Cc1cccc(c1F)CN(C)C 2230a_100102631434_100011216058 [0,1,0,0,0,1|2,0,0]=4 5440 B12R1.224 Cc1cccc(c1F)CN(C)C 269982a_100102631434_100011216058 [0,1,0,0,0,1|2,0,0]=4 5441 B12R1.224 Cc1cccc(c1F)CN(C)C 270004a_100102631434_100011219516 [0,1,0,0,0,1|2,0,0]=4 5442 B12R1.224 Cc1cccc(c1F)NC(C)C 2230a_100000697159_100000210206 [0,1,0,0,0,1|1,0,0]=3 5443 B12R1.224 Cc1cccc(c1F)NC(C)C 34a_100000697159_100000210206 [0,1,0,0,0,1|1,0,0]=3 5444 B12R1.224 Cc1cccc(c1F)NC(C)C 7a_100000697159_100000210206 [0,1,0,0,0,1|1,0,0]=3 5445 B12R1.224 Cc1cccc(c1F)OC(C)C 34a_100000751311_100000210206 [0,1,0,0,0,1|1,0,0]=3 5446 B12R1.224 Cc1cccc(c1F)OC(C)C 7a_100000751311_100000210206 [0,1,0,0,0,1|1,0,0]=3 5447 B12R1.224 Cc1cccc(c1F)SC(C)C 62a_100000210206_100000717567 [0,1,0,0,0,1|1,0,0]=3 5448 B12R1.224 Cc1cccc(c1F)SC(C)C 62a_100000717567_100000210206 [0,1,0,0,0,1|1,0,0]=3 5449 B12R1.224 Cc1cccc(c1I)NC(C)C 34a_100000761888_100000210206 [0,1,0,0,0,1|1,0,0]=3 5450 B12R1.224 Cc1cccc(c1I)OC(C)C 34a_100010083724_100000210206 [0,1,0,0,0,1|1,0,0]=3 5451 B12R1.224 Cc1cccc(c1I)OC(C)C 7a_100010083724_100000210206 [0,1,0,0,0,1|1,0,0]=3 5452 B12R1.224 Cc1cccc(c1N)OC(C)C 34a_100000743429_100000210206 [0,1,0,0,0,1|1,0,0]=3 5453 B12R1.224 Cc1cccc(c1N)OC(C)C 7a_100000743429_100000210206 [0,1,0,0,0,1|1,0,0]=3 5454 B12R1.224 Cc1cccc(c1N)SC(C)C 62a_100000210206_100011834072 [0,1,0,0,0,1|1,0,0]=3 5455 B12R1.224 Cc1cccc(c1N)SC(C)C 62a_100011834072_100000210206 [0,1,0,0,0,1|1,0,0]=3 5456 B12R1.224 Cc1cccc(c1O)NC(C)C 34a_100000756359_100000210206 [0,1,0,0,0,1|0,0,0]=2 5457 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100000210206_100009817157 [0,1,0,0,0,1|0,0,0]=2 5458 B12R1.224 Cc1cccc(c1O)SC(C)C 62a_100009817157_100000210206 [0,1,0,0,0,1|0,0,0]=2 5459 B12R1.224 Cc1ccnc(c1Br)OC(C)C 34a_100012000493_100000210206 [0,1,0,0,0,1|2,0,0]=4 5460 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100000210206_100009847204 [0,1,0,0,0,1|2,0,0]=4 5461 B12R1.224 Cc1ccnc(c1C)SC(C)C 62a_100009847204_100000210206 [0,1,0,0,0,1|2,0,0]=4 5462 B12R1.224 Cc1ccnc(c1F)SC(C)C 62a_100000210206_100009817629 [0,1,0,0,0,1|2,0,0]=4 5463 B12R1.224 Cc1ccnc(c1F)SC(C)C 62a_100009817629_100000210206 [0,1,0,0,0,1|2,0,0]=4 5464 B12R1.224 Cc1ccnc(c1N)SC(C)C 62a_100000210206_100000763560 [0,1,0,0,0,1|2,0,0]=4 5465 B12R1.224 Cc1ccnc(c1N)SC(C)C 62a_100000763560_100000210206 [0,1,0,0,0,1|2,0,0]=4 5466 B12R1.224 Cc1ccnc(c1O)SC(C)C 62a_100000210206_100000696282 [0,1,0,0,0,1|1,0,0]=3 5467 B12R1.224 Cc1cncc(c1C)SC(C)C 62a_100000210206_100009864703 [0,1,0,0,0,1|2,0,0]=4 5468 B12R1.224 Cc1cncc(c1C)SC(C)C 62a_100009864703_100000210206 [0,1,0,0,0,1|2,0,0]=4 5469 B12R1.224 Cc1cncc(c1N)SC(C)C 62a_100000210206_100009818025 [0,1,0,0,0,1|2,0,0]=4 5470 B12R1.224 Cc1cncc(c1N)SC(C)C 62a_100009818025_100000210206 [0,1,0,0,0,1|2,0,0]=4 5471 B12R1.224 Cc1nccc(c1C)SC(C)C 62a_100000210206_100009846815 [0,1,0,0,0,1|2,0,0]=4 5472 B12R1.224 Cc1nccc(c1C)SC(C)C 62a_100009846815_100000210206 [0,1,0,0,0,1|2,0,0]=4 5473 B12R1.224 Cc1nccc(c1Cl)NC(C)C 27a_100138425928_100000698670 [0,1,0,0,0,1|2,0,0]=4 5474 B12R1.224 Cc1nccc(c1Cl)SC(C)C 62a_100000210206_100000698670 [0,1,0,0,0,1|2,0,0]=4 5475 B12R1.224 Cc1nccc(c1Cl)SC(C)C 62a_100000698670_100000210206 [0,1,0,0,0,1|2,0,0]=4 5476 B12R1.224 Cc1nccc(c1F)NC(C)C 27a_100138425928_100009849794 [0,1,0,0,0,1|2,0,0]=4 5477 B12R1.224 Cc1nccc(c1F)SC(C)C 62a_100000210206_100009849794 [0,1,0,0,0,1|2,0,0]=4 5478 B12R1.224 Cc1nccc(c1F)SC(C)C 62a_100009849794_100000210206 [0,1,0,0,0,1|2,0,0]=4 5479 B12R1.224 Cc1nccc(c1N)SC(C)C 62a_100000210206_100009885578 [0,1,0,0,0,1|2,0,0]=4 5480 B12R1.224 Cc1nccc(c1N)SC(C)C 62a_100009885578_100000210206 [0,1,0,0,0,1|2,0,0]=4 5481 B12R1.224 Oc1c(cccc1OC(F)F)F 271570a_203496583355_100010146002 [0,1,0,0,0,1|2,0,0]=4 5482 B12R1.233 CC(=Cc1ccc(cc1Br)Br)C 271570a_100102525489_100011484698 [0,1,0,0,0,1|1,0,1]=4 5483 B12R1.233 CC(=Cc1ccc(cc1Br)C)C 271570a_100102525489_100009813563 [0,1,0,0,0,1|1,0,1]=4 5484 B12R1.233 CC(=Cc1ccc(cc1Br)Cl)C 271570a_100102525489_100011219703 [0,1,0,0,0,1|1,0,1]=4 5485 B12R1.233 CC(=Cc1ccc(cc1Br)F)C 271570a_100102525489_100011217111 [0,1,0,0,0,1|1,0,1]=4 5486 B12R1.233 CC(=Cc1ccc(cc1Br)N)C 271570a_100102525489_100000750458 [0,1,0,0,0,1|1,0,1]=4 5487 B12R1.233 CC(=Cc1ccc(cc1Br)O)C 271570a_100102525489_100000701344 [0,1,0,0,0,1|1,0,1]=4 5488 B12R1.233 CC(=Cc1ccc(cc1C)Br)C 271570a_100102525489_100000701812 [0,1,0,0,0,1|1,0,1]=4 5489 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [0,1,0,0,0,1|1,0,1]=4 5490 B12R1.233 CC(=Cc1ccc(cc1C)Cl)C 271570a_100102525489_100011219607 [0,1,0,0,0,1|1,0,1]=4 5491 B12R1.233 CC(=Cc1ccc(cc1C)F)C 271570a_100102525489_100011205405 [0,1,0,0,0,1|1,0,1]=4 5492 B12R1.233 CC(=Cc1ccc(cc1C)N)C 271570a_100102525489_100000210723 [0,1,0,0,0,1|1,0,1]=4 5493 B12R1.233 CC(=Cc1ccc(cc1C)O)C 271570a_100102525489_100000729255 [0,1,0,0,0,1|1,0,1]=4 5494 B12R1.233 CC(=Cc1ccc(cc1Cl)Br)C 271570a_100102525489_100011216062 [0,1,0,0,0,1|1,0,1]=4 5495 B12R1.233 CC(=Cc1ccc(cc1Cl)C)C 271570a_100102525489_100011263221 [0,1,0,0,0,1|1,0,1]=4 5496 B12R1.233 CC(=Cc1ccc(cc1Cl)Cl)C 271570a_100102525489_100000699841 [0,1,0,0,0,1|1,0,1]=4 5497 B12R1.233 CC(=Cc1ccc(cc1Cl)F)C 271570a_100102525489_100000733362 [0,1,0,0,0,1|1,0,1]=4 5498 B12R1.233 CC(=Cc1ccc(cc1Cl)N)C 271570a_100102525489_100000761885 [0,1,0,0,0,1|1,0,1]=4 5499 B12R1.233 CC(=Cc1ccc(cc1Cl)O)C 271570a_100102525489_100000047559 [0,1,0,0,0,1|1,0,1]=4 5500 B12R1.233 CC(=Cc1ccc(cc1F)Br)C 271570a_100102525489_100009814013 [0,1,0,0,0,1|1,0,1]=4 5501 B12R1.233 CC(=Cc1ccc(cc1F)C)C 271570a_100102525489_100011216119 [0,1,0,0,0,1|1,0,1]=4 5502 B12R1.233 CC(=Cc1ccc(cc1F)Cl)C 271570a_100102525489_100011216042 [0,1,0,0,0,1|1,0,1]=4 5503 B12R1.233 CC(=Cc1ccc(cc1F)F)C 271570a_100102525489_100000750030 [0,1,0,0,0,1|1,0,1]=4 5504 B12R1.233 CC(=Cc1ccc(cc1F)N)C 271570a_100102525489_100011356925 [0,1,0,0,0,1|1,0,1]=4 5505 B12R1.233 CC(=Cc1ccc(cc1F)O)C 271570a_100102525489_100000755031 [0,1,0,0,0,1|1,0,1]=4 5506 B12R1.233 CC(=Cc1ccc(cc1N)Br)C 271570a_100102525489_100000743836 [0,1,0,0,0,1|1,0,1]=4 5507 B12R1.233 CC(=Cc1ccc(cc1N)C)C 271570a_100102525489_100011216686 [0,1,0,0,0,1|1,0,1]=4 5508 B12R1.233 CC(=Cc1ccc(cc1N)Cl)C 271570a_100102525489_100000761886 [0,1,0,0,0,1|1,0,1]=4 5509 B12R1.233 CC(=Cc1ccc(cc1N)F)C 271570a_100102525489_100011218093 [0,1,0,0,0,1|1,0,1]=4 5510 B12R1.233 CC(=Cc1ccc(cc1N)N)C 271570a_100102525489_200012175722 [0,1,0,0,0,1|1,0,1]=4 5511 B12R1.233 CC(=Cc1ccc(cc1N)O)C 271570a_100102525489_100011999798 [0,1,0,0,0,1|1,0,1]=4 5512 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,1,0,0,0,1|0,0,1]=3 5513 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,1,0,0,0,1|0,0,1]=3 5514 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,1,0,0,0,1|0,0,1]=3 5515 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,1,0,0,0,1|0,0,1]=3 5516 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,0,1|0,0,1]=3 5517 B12R1.233 CC(=Cc1ccc(nc1O)C)C 271570a_100102525489_100009817604 [0,1,0,0,0,1|1,0,1]=4 5518 B12R1.233 CC(=Cc1cnc(cc1O)C)C 271570a_100102525489_100011016184 [0,1,0,0,0,1|1,0,1]=4 5519 B12R1.233 CC(=Cc1ncc(cc1O)Br)C 271570a_100102525489_100010210634 [0,1,0,0,0,1|1,0,1]=4 5520 B12R1.233 CC(=Cc1ncc(cc1O)C)C 271570a_100102525489_100012000487 [0,1,0,0,0,1|1,0,1]=4 5521 B12R1.233 CC(=Cc1ncc(cc1O)Cl)C 271570a_100102525489_100010233512 [0,1,0,0,0,1|1,0,1]=4 5522 B12R1.233 CC(=Cc1ncc(cc1O)F)C 271570a_100102525489_100000079967 [0,1,0,0,0,1|1,0,1]=4 5523 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,1,0,0,0,1|1,0,1]=4 5524 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,1,0,0,0,1|1,0,1]=4 5525 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,1,0,0,0,1|1,0,1]=4 5526 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,1,0,0,0,1|1,0,1]=4 5527 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,0,1|1,0,1]=4 5528 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,0,1|1,0,1]=4 5529 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,0,1|1,0,1]=4 5530 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,1,0,0,0,1|1,0,1]=4 5531 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,1,0,0,0,1|1,0,1]=4 5532 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,1,0,0,0,1|1,0,1]=4 5533 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,1,0,0,0,1|1,0,1]=4 5534 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,1,0,0,0,1|1,0,1]=4 5535 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,1,0,0,0,1|1,0,1]=4 5536 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,1,0,0,0,1|1,0,1]=4 5537 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,0,1|1,0,1]=4 5538 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,0,1|1,0,1]=4 5539 B12R1.233 CC(C)Nc1ccc(cc1Br)Br 34a_100000211012_100000210206 [0,1,0,0,0,1|1,0,0]=3 5540 B12R1.233 CC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100000210206 [0,1,0,0,0,1|1,0,0]=3 5541 B12R1.233 CC(C)Nc1ccc(cc1Br)F 34a_100000738039_100000210206 [0,1,0,0,0,1|1,0,0]=3 5542 B12R1.233 CC(C)Nc1ccc(cc1Br)O 34a_100012001276_100000210206 [0,1,0,0,0,1|1,0,0]=3 5543 B12R1.233 CC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100000210206 [0,1,0,0,0,1|1,0,0]=3 5544 B12R1.233 CC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100000210206 [0,1,0,0,0,1|1,0,0]=3 5545 B12R1.233 CC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100000210206 [0,1,0,0,0,1|1,0,0]=3 5546 B12R1.233 CC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100000210206 [0,1,0,0,0,1|1,0,0]=3 5547 B12R1.233 CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100000210206 [0,1,0,0,0,1|1,0,0]=3 5548 B12R1.233 CC(C)Nc1ccc(cc1F)Br 34a_100000210722_100000210206 [0,1,0,0,0,1|1,0,0]=3 5549 B12R1.233 CC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100000210206 [0,1,0,0,0,1|1,0,0]=3 5550 B12R1.233 CC(C)Nc1ccc(cc1F)F 34a_100000210720_100000210206 [0,1,0,0,0,1|1,0,0]=3 5551 B12R1.233 CC(C)Nc1ccc(cc1F)I 34a_100011215594_100000210206 [0,1,0,0,0,1|1,0,0]=3 5552 B12R1.233 CC(C)Nc1ccc(cc1F)O 34a_100000759473_100000210206 [0,1,0,0,0,1|1,0,0]=3 5553 B12R1.233 CC(C)Nc1ccc(cc1I)Br 34a_100000187925_100000210206 [0,1,0,0,0,1|1,0,0]=3 5554 B12R1.233 CC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100000210206 [0,1,0,0,0,1|1,0,0]=3 5555 B12R1.233 CC(C)Nc1ccc(cc1I)F 34a_100000760547_100000210206 [0,1,0,0,0,1|1,0,0]=3 5556 B12R1.233 CC(C)Nc1ccc(cc1I)O 34a_100010084370_100000210206 [0,1,0,0,0,1|1,0,0]=3 5557 B12R1.233 CC(C)Nc1ccc(cc1O)Br 34a_100000739049_100000210206 [0,1,0,0,0,1|0,0,0]=2 5558 B12R1.233 CC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100000210206 [0,1,0,0,0,1|0,0,0]=2 5559 B12R1.233 CC(C)Nc1ccc(cc1O)F 34a_100000753323_100000210206 [0,1,0,0,0,1|0,0,0]=2 5560 B12R1.233 CC(C)Nc1ccc(cc1O)O 34a_100000106777_100000210206 [0,1,0,0,0,1|0,0,0]=2 5561 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100000210206 [0,1,0,0,0,1|1,0,0]=3 5562 B12R1.233 CC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000210206 [0,1,0,0,0,1|1,0,0]=3 5563 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100000210206 [0,1,0,0,0,1|1,0,0]=3 5564 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000210206 [0,1,0,0,0,1|1,0,0]=3 5565 B12R1.233 CC(C)Oc1ccc(cc1Br)F 34a_100000211999_100000210206 [0,1,0,0,0,1|1,0,0]=3 5566 B12R1.233 CC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000210206 [0,1,0,0,0,1|1,0,0]=3 5567 B12R1.233 CC(C)Oc1ccc(cc1Br)I 34a_100012361655_100000210206 [0,1,0,0,0,1|1,0,0]=3 5568 B12R1.233 CC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000210206 [0,1,0,0,0,1|1,0,0]=3 5569 B12R1.233 CC(C)Oc1ccc(cc1Br)N 34a_100011534360_100000210206 [0,1,0,0,0,1|1,0,0]=3 5570 B12R1.233 CC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000210206 [0,1,0,0,0,1|1,0,0]=3 5571 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100000210206 [0,1,0,0,0,1|1,0,0]=3 5572 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000210206 [0,1,0,0,0,1|1,0,0]=3 5573 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100000210206 [0,1,0,0,0,1|1,0,0]=3 5574 B12R1.233 CC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000210206 [0,1,0,0,0,1|1,0,0]=3 5575 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100000210206 [0,1,0,0,0,1|1,0,0]=3 5576 B12R1.233 CC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000210206 [0,1,0,0,0,1|1,0,0]=3 5577 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100000210206 [0,1,0,0,0,1|1,0,0]=3 5578 B12R1.233 CC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000210206 [0,1,0,0,0,1|1,0,0]=3 5579 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100000210206 [0,1,0,0,0,1|1,0,0]=3 5580 B12R1.233 CC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000210206 [0,1,0,0,0,1|1,0,0]=3 5581 B12R1.233 CC(C)Oc1ccc(cc1F)Br 34a_100000185481_100000210206 [0,1,0,0,0,1|1,0,0]=3 5582 B12R1.233 CC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000210206 [0,1,0,0,0,1|1,0,0]=3 5583 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100000210206 [0,1,0,0,0,1|1,0,0]=3 5584 B12R1.233 CC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000210206 [0,1,0,0,0,1|1,0,0]=3 5585 B12R1.233 CC(C)Oc1ccc(cc1F)F 34a_100000230127_100000210206 [0,1,0,0,0,1|1,0,0]=3 5586 B12R1.233 CC(C)Oc1ccc(cc1F)F 7a_100000230127_100000210206 [0,1,0,0,0,1|1,0,0]=3 5587 B12R1.233 CC(C)Oc1ccc(cc1F)I 34a_100011356965_100000210206 [0,1,0,0,0,1|1,0,0]=3 5588 B12R1.233 CC(C)Oc1ccc(cc1F)I 7a_100011356965_100000210206 [0,1,0,0,0,1|1,0,0]=3 5589 B12R1.233 CC(C)Oc1ccc(cc1F)N 34a_100011220035_100000210206 [0,1,0,0,0,1|1,0,0]=3 5590 B12R1.233 CC(C)Oc1ccc(cc1F)N 7a_100011220035_100000210206 [0,1,0,0,0,1|1,0,0]=3 5591 B12R1.233 CC(C)Oc1ccc(cc1F)O 271570a_203496583355_100009811877 [0,1,0,0,0,1|1,0,0]=3 5592 B12R1.233 CC(C)Oc1ccc(cc1I)Br 34a_100012355227_100000210206 [0,1,0,0,0,1|1,0,0]=3 5593 B12R1.233 CC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000210206 [0,1,0,0,0,1|1,0,0]=3 5594 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100000210206 [0,1,0,0,0,1|1,0,0]=3 5595 B12R1.233 CC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000210206 [0,1,0,0,0,1|1,0,0]=3 5596 B12R1.233 CC(C)Oc1ccc(cc1I)F 34a_100012355409_100000210206 [0,1,0,0,0,1|1,0,0]=3 5597 B12R1.233 CC(C)Oc1ccc(cc1I)F 7a_100012355409_100000210206 [0,1,0,0,0,1|1,0,0]=3 5598 B12R1.233 CC(C)Oc1ccc(cc1I)I 7a_100010001573_100000210206 [0,1,0,0,0,1|1,0,0]=3 5599 B12R1.233 CC(C)Oc1ccc(cc1N)Br 34a_100000752626_100000210206 [0,1,0,0,0,1|1,0,0]=3 5600 B12R1.233 CC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000210206 [0,1,0,0,0,1|1,0,0]=3 5601 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100000210206 [0,1,0,0,0,1|1,0,0]=3 5602 B12R1.233 CC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000210206 [0,1,0,0,0,1|1,0,0]=3 5603 B12R1.233 CC(C)Oc1ccc(cc1N)F 34a_100000759472_100000210206 [0,1,0,0,0,1|1,0,0]=3 5604 B12R1.233 CC(C)Oc1ccc(cc1N)F 7a_100000759472_100000210206 [0,1,0,0,0,1|1,0,0]=3 5605 B12R1.233 CC(C)Oc1ccc(cc1N)I 34a_100000753495_100000210206 [0,1,0,0,0,1|1,0,0]=3 5606 B12R1.233 CC(C)Oc1ccc(cc1N)I 7a_100000753495_100000210206 [0,1,0,0,0,1|1,0,0]=3 5607 B12R1.233 CC(C)Oc1ccc(cc1N)N 34a_100000725306_100000210206 [0,1,0,0,0,1|1,0,0]=3 5608 B12R1.233 CC(C)Oc1ccc(cc1N)O 271570a_203496583355_100000690130 [0,1,0,0,0,1|1,0,0]=3 5609 B12R1.233 CC(C)Oc1ccc(cc1O)F 271570a_203496583355_100000171696 [0,1,0,0,0,1|0,0,0]=2 5610 B12R1.233 CC(C)Oc1ccc(cc1O)N 271570a_203496583355_200000706018 [0,1,0,0,0,1|0,0,0]=2 5611 B12R1.233 CC(C)Oc1ccc(nc1Br)Br 34a_100009999766_100000210206 [0,1,0,0,0,1|2,0,0]=4 5612 B12R1.233 CC(C)Oc1ccc(nc1Br)Br 7a_100009999766_100000210206 [0,1,0,0,0,1|2,0,0]=4 5613 B12R1.233 CC(C)Oc1ccc(nc1Br)Cl 34a_100010219353_100000210206 [0,1,0,0,0,1|2,0,0]=4 5614 B12R1.233 CC(C)Oc1ccc(nc1Br)Cl 7a_100010219353_100000210206 [0,1,0,0,0,1|2,0,0]=4 5615 B12R1.233 CC(C)Oc1ccc(nc1Br)F 34a_100009887730_100000210206 [0,1,0,0,0,1|2,0,0]=4 5616 B12R1.233 CC(C)Oc1ccc(nc1Br)F 7a_100009887730_100000210206 [0,1,0,0,0,1|2,0,0]=4 5617 B12R1.233 CC(C)Oc1ccc(nc1Br)I 34a_100000725334_100000210206 [0,1,0,0,0,1|2,0,0]=4 5618 B12R1.233 CC(C)Oc1ccc(nc1Br)I 7a_100000725334_100000210206 [0,1,0,0,0,1|2,0,0]=4 5619 B12R1.233 CC(C)Oc1ccc(nc1Cl)Br 34a_100010246206_100000210206 [0,1,0,0,0,1|2,0,0]=4 5620 B12R1.233 CC(C)Oc1ccc(nc1Cl)Br 7a_100010246206_100000210206 [0,1,0,0,0,1|2,0,0]=4 5621 B12R1.233 CC(C)Oc1ccc(nc1Cl)Cl 34a_100000101165_100000210206 [0,1,0,0,0,1|2,0,0]=4 5622 B12R1.233 CC(C)Oc1ccc(nc1Cl)Cl 7a_100000101165_100000210206 [0,1,0,0,0,1|2,0,0]=4 5623 B12R1.233 CC(C)Oc1ccc(nc1Cl)I 34a_100000721234_100000210206 [0,1,0,0,0,1|2,0,0]=4 5624 B12R1.233 CC(C)Oc1ccc(nc1Cl)I 7a_100000721234_100000210206 [0,1,0,0,0,1|2,0,0]=4 5625 B12R1.233 CC(C)Oc1ccc(nc1F)Br 34a_100009819667_100000210206 [0,1,0,0,0,1|2,0,0]=4 5626 B12R1.233 CC(C)Oc1ccc(nc1F)Br 7a_100009819667_100000210206 [0,1,0,0,0,1|2,0,0]=4 5627 B12R1.233 CC(C)Oc1ccc(nc1F)Cl 34a_100009880201_100000210206 [0,1,0,0,0,1|2,0,0]=4 5628 B12R1.233 CC(C)Oc1ccc(nc1F)Cl 7a_100009880201_100000210206 [0,1,0,0,0,1|2,0,0]=4 5629 B12R1.233 CC(C)Oc1ccc(nc1F)F 34a_100000101184_100000210206 [0,1,0,0,0,1|2,0,0]=4 5630 B12R1.233 CC(C)Oc1ccc(nc1F)F 7a_100000101184_100000210206 [0,1,0,0,0,1|2,0,0]=4 5631 B12R1.233 CC(C)Oc1ccc(nc1I)Br 34a_100010253912_100000210206 [0,1,0,0,0,1|2,0,0]=4 5632 B12R1.233 CC(C)Oc1ccc(nc1I)Br 7a_100010253912_100000210206 [0,1,0,0,0,1|2,0,0]=4 5633 B12R1.233 CC(C)Oc1ccc(nc1I)Cl 34a_100000696390_100000210206 [0,1,0,0,0,1|2,0,0]=4 5634 B12R1.233 CC(C)Oc1ccc(nc1I)Cl 7a_100000696390_100000210206 [0,1,0,0,0,1|2,0,0]=4 5635 B12R1.233 CC(C)Oc1ccc(nc1I)F 34a_100010382442_100000210206 [0,1,0,0,0,1|2,0,0]=4 5636 B12R1.233 CC(C)Oc1ccc(nc1I)F 7a_100010382442_100000210206 [0,1,0,0,0,1|2,0,0]=4 5637 B12R1.233 CC(C)Oc1ccc(nc1N)Br 34a_100000685527_100000210206 [0,1,0,0,0,1|2,0,0]=4 5638 B12R1.233 CC(C)Oc1ccc(nc1N)Br 7a_100000685527_100000210206 [0,1,0,0,0,1|2,0,0]=4 5639 B12R1.233 CC(C)Oc1ccc(nc1N)Cl 34a_100000717809_100000210206 [0,1,0,0,0,1|2,0,0]=4 5640 B12R1.233 CC(C)Oc1ccc(nc1N)Cl 7a_100000717809_100000210206 [0,1,0,0,0,1|2,0,0]=4 5641 B12R1.233 CC(C)Oc1cnc(cc1Cl)Cl 34a_100009868576_100000210206 [0,1,0,0,0,1|2,0,0]=4 5642 B12R1.233 CC(C)Oc1cnc(cc1Cl)Cl 7a_100009868576_100000210206 [0,1,0,0,0,1|2,0,0]=4 5643 B12R1.233 CC(C)Oc1cnc(cc1F)F 34a_100009885687_100000210206 [0,1,0,0,0,1|2,0,0]=4 5644 B12R1.233 CC(C)Oc1cnc(cc1F)F 7a_100009885687_100000210206 [0,1,0,0,0,1|2,0,0]=4 5645 B12R1.233 CC(C)Oc1cnc(cc1I)Cl 34a_100000698892_100000210206 [0,1,0,0,0,1|2,0,0]=4 5646 B12R1.233 CC(C)Oc1cnc(cc1I)Cl 7a_100000698892_100000210206 [0,1,0,0,0,1|2,0,0]=4 5647 B12R1.233 CC(C)Oc1cnc(cc1N)Br 34a_100009819941_100000210206 [0,1,0,0,0,1|2,0,0]=4 5648 B12R1.233 CC(C)Oc1cnc(cc1N)Br 7a_100009819941_100000210206 [0,1,0,0,0,1|2,0,0]=4 5649 B12R1.233 CC(C)Oc1ncc(cc1Br)Br 34a_100000701035_100000210206 [0,1,0,0,0,1|2,0,0]=4 5650 B12R1.233 CC(C)Oc1ncc(cc1Cl)Br 34a_100012339560_100000210206 [0,1,0,0,0,1|2,0,0]=4 5651 B12R1.233 CC(C)Oc1ncc(cc1Cl)F 34a_100009847679_100000210206 [0,1,0,0,0,1|2,0,0]=4 5652 B12R1.233 CC(C)Oc1ncc(cc1F)Cl 34a_100011998252_100000210206 [0,1,0,0,0,1|2,0,0]=4 5653 B12R1.233 CC(C)Oc1ncc(cc1F)F 34a_100012025737_100000210206 [0,1,0,0,0,1|2,0,0]=4 5654 B12R1.233 CC(C)Oc1ncc(cc1N)Br 34a_100000743729_100000210206 [0,1,0,0,0,1|2,0,0]=4 5655 B12R1.233 CC(C)Oc1ncc(cc1N)Cl 34a_100011998249_100000210206 [0,1,0,0,0,1|2,0,0]=4 5656 B12R1.233 CC(C)Oc1ncc(cc1O)Br 271570a_203496583355_200010177600 [0,1,0,0,0,1|1,0,0]=3 5657 B12R1.233 CC(C)Sc1c[nH]c(=O)cc1F 62a_100000210206_100015631685 [0,1,0,0,0,1|2,0,0]=4 5658 B12R1.233 CC(C)Sc1c[nH]c(=O)cc1F 62a_100015631685_100000210206 [0,1,0,0,0,1|2,0,0]=4 5659 B12R1.233 CC(C)Sc1ccc(=O)[nH]c1N 62a_100009884077_100000210206 [0,1,0,0,0,1|2,0,0]=4 5660 B12R1.233 CC(C)Sc1ccc(c[n+]1[O-])F 62a_100000210206_100009817261 [0,1,0,0,0,1|1,0,1]=4 5661 B12R1.233 CC(C)Sc1ccc(c[n+]1[O-])F 62a_100009817261_100000210206 [0,1,0,0,0,1|1,0,1]=4 5662 B12R1.233 CC(C)Sc1ccc(cc1Br)Br 62a_100000210206_100011484698 [0,1,0,0,0,1|1,0,0]=3 5663 B12R1.233 CC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100000210206 [0,1,0,0,0,1|1,0,0]=3 5664 B12R1.233 CC(C)Sc1ccc(cc1Br)Cl 62a_100000210206_100011219703 [0,1,0,0,0,1|1,0,0]=3 5665 B12R1.233 CC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000210206 [0,1,0,0,0,1|1,0,0]=3 5666 B12R1.233 CC(C)Sc1ccc(cc1Br)F 62a_100000210206_100011217111 [0,1,0,0,0,1|1,0,0]=3 5667 B12R1.233 CC(C)Sc1ccc(cc1Br)F 62a_100011217111_100000210206 [0,1,0,0,0,1|1,0,0]=3 5668 B12R1.233 CC(C)Sc1ccc(cc1Br)N 62a_100000210206_100000750458 [0,1,0,0,0,1|1,0,0]=3 5669 B12R1.233 CC(C)Sc1ccc(cc1Br)N 62a_100000750458_100000210206 [0,1,0,0,0,1|1,0,0]=3 5670 B12R1.233 CC(C)Sc1ccc(cc1Br)O 62a_100000210206_100000701344 [0,1,0,0,0,1|1,0,0]=3 5671 B12R1.233 CC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000210206 [0,1,0,0,0,1|1,0,0]=3 5672 B12R1.233 CC(C)Sc1ccc(cc1Cl)Br 62a_100000210206_100011216062 [0,1,0,0,0,1|1,0,0]=3 5673 B12R1.233 CC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000210206 [0,1,0,0,0,1|1,0,0]=3 5674 B12R1.233 CC(C)Sc1ccc(cc1Cl)Cl 62a_100000210206_100000699841 [0,1,0,0,0,1|1,0,0]=3 5675 B12R1.233 CC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000210206 [0,1,0,0,0,1|1,0,0]=3 5676 B12R1.233 CC(C)Sc1ccc(cc1Cl)F 62a_100000210206_100000733362 [0,1,0,0,0,1|1,0,0]=3 5677 B12R1.233 CC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000210206 [0,1,0,0,0,1|1,0,0]=3 5678 B12R1.233 CC(C)Sc1ccc(cc1Cl)N 62a_100000210206_100000761885 [0,1,0,0,0,1|1,0,0]=3 5679 B12R1.233 CC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000210206 [0,1,0,0,0,1|1,0,0]=3 5680 B12R1.233 CC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000210206 [0,1,0,0,0,1|1,0,0]=3 5681 B12R1.233 CC(C)Sc1ccc(cc1Cl)O 62a_100000210206_100000047559 [0,1,0,0,0,1|1,0,0]=3 5682 B12R1.233 CC(C)Sc1ccc(cc1F)Br 62a_100000210206_100009814013 [0,1,0,0,0,1|1,0,0]=3 5683 B12R1.233 CC(C)Sc1ccc(cc1F)Br 62a_100009814013_100000210206 [0,1,0,0,0,1|1,0,0]=3 5684 B12R1.233 CC(C)Sc1ccc(cc1F)Cl 62a_100000210206_100011216042 [0,1,0,0,0,1|1,0,0]=3 5685 B12R1.233 CC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000210206 [0,1,0,0,0,1|1,0,0]=3 5686 B12R1.233 CC(C)Sc1ccc(cc1F)F 62a_100000210206_100000750030 [0,1,0,0,0,1|1,0,0]=3 5687 B12R1.233 CC(C)Sc1ccc(cc1F)F 62a_100000750030_100000210206 [0,1,0,0,0,1|1,0,0]=3 5688 B12R1.233 CC(C)Sc1ccc(cc1F)N 62a_100000210206_100011356925 [0,1,0,0,0,1|1,0,0]=3 5689 B12R1.233 CC(C)Sc1ccc(cc1F)N 62a_100011356925_100000210206 [0,1,0,0,0,1|1,0,0]=3 5690 B12R1.233 CC(C)Sc1ccc(cc1F)O 62a_100000210206_100000755031 [0,1,0,0,0,1|1,0,0]=3 5691 B12R1.233 CC(C)Sc1ccc(cc1F)O 62a_100000755031_100000210206 [0,1,0,0,0,1|1,0,0]=3 5692 B12R1.233 CC(C)Sc1ccc(cc1N)Br 62a_100000210206_100000743836 [0,1,0,0,0,1|1,0,0]=3 5693 B12R1.233 CC(C)Sc1ccc(cc1N)Br 62a_100000743836_100000210206 [0,1,0,0,0,1|1,0,0]=3 5694 B12R1.233 CC(C)Sc1ccc(cc1N)Cl 62a_100000210206_100000761886 [0,1,0,0,0,1|1,0,0]=3 5695 B12R1.233 CC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000210206 [0,1,0,0,0,1|1,0,0]=3 5696 B12R1.233 CC(C)Sc1ccc(cc1N)F 62a_100000210206_100000687223 [0,1,0,0,0,1|1,0,0]=3 5697 B12R1.233 CC(C)Sc1ccc(cc1N)F 62a_100000687223_100000210206 [0,1,0,0,0,1|1,0,0]=3 5698 B12R1.233 CC(C)Sc1ccc(cc1N)N 62a_100000210206_200012175722 [0,1,0,0,0,1|1,0,0]=3 5699 B12R1.233 CC(C)Sc1ccc(cc1N)N 62a_200012175722_100000210206 [0,1,0,0,0,1|1,0,0]=3 5700 B12R1.233 CC(C)Sc1ccc(cc1N)O 62a_100000210206_100011999798 [0,1,0,0,0,1|1,0,0]=3 5701 B12R1.233 CC(C)Sc1ccc(cc1N)O 62a_100011999798_100000210206 [0,1,0,0,0,1|1,0,0]=3 5702 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100000210206_100012344904 [0,1,0,0,0,1|0,0,0]=2 5703 B12R1.233 CC(C)Sc1ccc(cc1O)Br 62a_100012344904_100000210206 [0,1,0,0,0,1|0,0,0]=2 5704 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000210206 [0,1,0,0,0,1|0,0,0]=2 5705 B12R1.233 CC(C)Sc1ccc(cc1O)Cl 62a_100000210206_100000050036 [0,1,0,0,0,1|0,0,0]=2 5706 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000210206_100000690578 [0,1,0,0,0,1|0,0,0]=2 5707 B12R1.233 CC(C)Sc1ccc(cc1O)F 62a_100000690578_100000210206 [0,1,0,0,0,1|0,0,0]=2 5708 B12R1.233 CC(C)Sc1ccc(cc1O)O 62a_100000210206_100009813921 [0,1,0,0,0,1|0,0,0]=2 5709 B12R1.233 CC(C)Sc1ccc(nc1Br)N 62a_100000210206_100010734177 [0,1,0,0,0,1|2,0,0]=4 5710 B12R1.233 CC(C)Sc1ccc(nc1Br)N 62a_100010734177_100000210206 [0,1,0,0,0,1|2,0,0]=4 5711 B12R1.233 CC(C)Sc1ccc(nc1Cl)Br 62a_100000210206_100010246183 [0,1,0,0,0,1|2,0,0]=4 5712 B12R1.233 CC(C)Sc1ccc(nc1Cl)Br 62a_100010246183_100000210206 [0,1,0,0,0,1|2,0,0]=4 5713 B12R1.233 CC(C)Sc1ccc(nc1Cl)Cl 62a_100000210206_100000043682 [0,1,0,0,0,1|2,0,0]=4 5714 B12R1.233 CC(C)Sc1ccc(nc1Cl)N 62a_100000210206_100010270343 [0,1,0,0,0,1|2,0,0]=4 5715 B12R1.233 CC(C)Sc1ccc(nc1Cl)N 62a_100010270343_100000210206 [0,1,0,0,0,1|2,0,0]=4 5716 B12R1.233 CC(C)Sc1ccc(nc1F)Cl 62a_100000210206_100010168078 [0,1,0,0,0,1|2,0,0]=4 5717 B12R1.233 CC(C)Sc1ccc(nc1F)Cl 62a_100010168078_100000210206 [0,1,0,0,0,1|2,0,0]=4 5718 B12R1.233 CC(C)Sc1ccc(nc1F)F 62a_100000070099_100000210206 [0,1,0,0,0,1|2,0,0]=4 5719 B12R1.233 CC(C)Sc1ccc(nc1F)F 62a_100000210206_100000070099 [0,1,0,0,0,1|2,0,0]=4 5720 B12R1.233 CC(C)Sc1ccc(nc1F)N 62a_100000210206_100009882772 [0,1,0,0,0,1|2,0,0]=4 5721 B12R1.233 CC(C)Sc1ccc(nc1F)N 62a_100009882772_100000210206 [0,1,0,0,0,1|2,0,0]=4 5722 B12R1.233 CC(C)Sc1ccc(nc1F)O 62a_100000210206_100009879308 [0,1,0,0,0,1|2,0,0]=4 5723 B12R1.233 CC(C)Sc1ccc(nc1F)O 62a_100009879308_100000210206 [0,1,0,0,0,1|2,0,0]=4 5724 B12R1.233 CC(C)Sc1ccc(nc1N)Cl 62a_100000210206_100010171640 [0,1,0,0,0,1|2,0,0]=4 5725 B12R1.233 CC(C)Sc1ccc(nc1N)Cl 62a_100010171640_100000210206 [0,1,0,0,0,1|2,0,0]=4 5726 B12R1.233 CC(C)Sc1ccc(nc1N)F 62a_100000210206_100009854977 [0,1,0,0,0,1|2,0,0]=4 5727 B12R1.233 CC(C)Sc1ccc(nc1N)F 62a_100009854977_100000210206 [0,1,0,0,0,1|2,0,0]=4 5728 B12R1.233 CC(C)Sc1ccc(nc1N)N 62a_100011356871_100000210206 [0,1,0,0,0,1|2,0,0]=4 5729 B12R1.233 CC(C)Sc1cnc(cc1Br)F 62a_100000210206_100015451857 [0,1,0,0,0,1|2,0,0]=4 5730 B12R1.233 CC(C)Sc1cnc(cc1Br)F 62a_100015451857_100000210206 [0,1,0,0,0,1|2,0,0]=4 5731 B12R1.233 CC(C)Sc1cnc(cc1Br)N 62a_100000210206_100010074611 [0,1,0,0,0,1|2,0,0]=4 5732 B12R1.233 CC(C)Sc1cnc(cc1Br)N 62a_100010074611_100000210206 [0,1,0,0,0,1|2,0,0]=4 5733 B12R1.233 CC(C)Sc1cnc(cc1Cl)Br 62a_100000210206_100010381092 [0,1,0,0,0,1|2,0,0]=4 5734 B12R1.233 CC(C)Sc1cnc(cc1Cl)Br 62a_100010381092_100000210206 [0,1,0,0,0,1|2,0,0]=4 5735 B12R1.233 CC(C)Sc1cnc(cc1Cl)Cl 62a_100000210206_100010200927 [0,1,0,0,0,1|2,0,0]=4 5736 B12R1.233 CC(C)Sc1cnc(cc1Cl)Cl 62a_100010200927_100000210206 [0,1,0,0,0,1|2,0,0]=4 5737 B12R1.233 CC(C)Sc1cnc(cc1Cl)N 62a_100000210206_100000694920 [0,1,0,0,0,1|2,0,0]=4 5738 B12R1.233 CC(C)Sc1cnc(cc1Cl)N 62a_100000694920_100000210206 [0,1,0,0,0,1|2,0,0]=4 5739 B12R1.233 CC(C)Sc1cnc(cc1F)Cl 62a_100000210206_100010128100 [0,1,0,0,0,1|2,0,0]=4 5740 B12R1.233 CC(C)Sc1cnc(cc1F)Cl 62a_100010128100_100000210206 [0,1,0,0,0,1|2,0,0]=4 5741 B12R1.233 CC(C)Sc1cnc(cc1F)N 62a_100000210206_100009844730 [0,1,0,0,0,1|2,0,0]=4 5742 B12R1.233 CC(C)Sc1cnc(cc1F)N 62a_100009844730_100000210206 [0,1,0,0,0,1|2,0,0]=4 5743 B12R1.233 CC(C)Sc1cnc(cc1N)Cl 62a_100000210206_100010209552 [0,1,0,0,0,1|2,0,0]=4 5744 B12R1.233 CC(C)Sc1cnc(cc1N)Cl 62a_100010209552_100000210206 [0,1,0,0,0,1|2,0,0]=4 5745 B12R1.233 CC(C)Sc1cnc(cc1N)N 62a_100000210206_200009857908 [0,1,0,0,0,1|2,0,0]=4 5746 B12R1.233 CC(C)Sc1cnc(cc1N)N 62a_200009857908_100000210206 [0,1,0,0,0,1|2,0,0]=4 5747 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100000210206_100012154958 [0,1,0,0,0,1|2,0,0]=4 5748 B12R1.233 CC(C)Sc1ncc(cc1Br)Cl 62a_100012154958_100000210206 [0,1,0,0,0,1|2,0,0]=4 5749 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100000210206_100012348576 [0,1,0,0,0,1|2,0,0]=4 5750 B12R1.233 CC(C)Sc1ncc(cc1F)Br 62a_100012348576_100000210206 [0,1,0,0,0,1|2,0,0]=4 5751 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100000210206_100012348686 [0,1,0,0,0,1|2,0,0]=4 5752 B12R1.233 CC(C)Sc1ncc(cc1F)Cl 62a_100012348686_100000210206 [0,1,0,0,0,1|2,0,0]=4 5753 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100000210206_100011219543 [0,1,0,0,0,1|2,0,0]=4 5754 B12R1.233 CC(C)Sc1ncc(cc1F)F 62a_100011219543_100000210206 [0,1,0,0,0,1|2,0,0]=4 5755 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100000210206_100010280766 [0,1,0,0,0,1|2,0,0]=4 5756 B12R1.233 CC(C)Sc1ncc(cc1F)N 62a_100010280766_100000210206 [0,1,0,0,0,1|2,0,0]=4 5757 B12R1.233 CC(C)Sc1ncc(cc1F)O 62a_100000210206_100000063512 [0,1,0,0,0,1|2,0,0]=4 5758 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100000210206_100010090555 [0,1,0,0,0,1|2,0,0]=4 5759 B12R1.233 CC(C)Sc1ncc(cc1N)Br 62a_100010090555_100000210206 [0,1,0,0,0,1|2,0,0]=4 5760 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100000210206_100009817643 [0,1,0,0,0,1|2,0,0]=4 5761 B12R1.233 CC(C)Sc1ncc(cc1N)F 62a_100009817643_100000210206 [0,1,0,0,0,1|2,0,0]=4 5762 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_100000210206_200000093520 [0,1,0,0,0,1|2,0,0]=4 5763 B12R1.233 CC(C)Sc1ncc(cc1N)N 62a_200000093520_100000210206 [0,1,0,0,0,1|2,0,0]=4 5764 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100000210206_100010210634 [0,1,0,0,0,1|1,0,0]=3 5765 B12R1.233 CC(C)Sc1ncc(cc1O)Br 62a_100010210634_100000210206 [0,1,0,0,0,1|1,0,0]=3 5766 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100000210206_100010233512 [0,1,0,0,0,1|1,0,0]=3 5767 B12R1.233 CC(C)Sc1ncc(cc1O)Cl 62a_100010233512_100000210206 [0,1,0,0,0,1|1,0,0]=3 5768 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100000210206_100000079967 [0,1,0,0,0,1|1,0,0]=3 5769 B12R1.233 CC(C)Sc1ncc(cc1O)F 62a_100009820119_100000210206 [0,1,0,0,0,1|1,0,0]=3 5770 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 2230a_100102631434_200012351560 [0,1,0,0,0,1|2,0,0]=4 5771 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 269982a_100102631434_200012351560 [0,1,0,0,0,1|2,0,0]=4 5772 B12R1.233 CN(C)Cc1ccc(cc1Br)Br 270004a_100102631434_100012351556 [0,1,0,0,0,1|2,0,0]=4 5773 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 2230a_100102631434_100000755608 [0,1,0,0,0,1|2,0,0]=4 5774 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 269982a_100102631434_100000755608 [0,1,0,0,0,1|2,0,0]=4 5775 B12R1.233 CN(C)Cc1ccc(cc1Br)Cl 270004a_100102631434_100000687667 [0,1,0,0,0,1|2,0,0]=4 5776 B12R1.233 CN(C)Cc1ccc(cc1Br)F 2230a_100102631434_100000243222 [0,1,0,0,0,1|2,0,0]=4 5777 B12R1.233 CN(C)Cc1ccc(cc1Br)F 2230a_200011192132_200000210301 [0,1,0,0,0,1|2,0,0]=4 5778 B12R1.233 CN(C)Cc1ccc(cc1Br)F 269982a_100102631434_100000243222 [0,1,0,0,0,1|2,0,0]=4 5779 B12R1.233 CN(C)Cc1ccc(cc1Br)F 269982a_200011192132_200000210301 [0,1,0,0,0,1|2,0,0]=4 5780 B12R1.233 CN(C)Cc1ccc(cc1Br)F 270004a_100102631434_100000685661 [0,1,0,0,0,1|2,0,0]=4 5781 B12R1.233 CN(C)Cc1ccc(cc1Br)F 34a_200011192132_200000210301 [0,1,0,0,0,1|2,0,0]=4 5782 B12R1.233 CN(C)Cc1ccc(cc1Br)I 2230a_100102631434_100010146610 [0,1,0,0,0,1|2,0,0]=4 5783 B12R1.233 CN(C)Cc1ccc(cc1Br)I 269982a_100102631434_100010146610 [0,1,0,0,0,1|2,0,0]=4 5784 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 2230a_100102631434_100011740631 [0,1,0,0,0,1|2,0,0]=4 5785 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 269982a_100102631434_100011740631 [0,1,0,0,0,1|2,0,0]=4 5786 B12R1.233 CN(C)Cc1ccc(cc1Cl)Br 270004a_100102631434_100000764164 [0,1,0,0,0,1|2,0,0]=4 5787 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 2230a_100015189987_200000210301 [0,1,0,0,0,1|2,0,0]=4 5788 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 2230a_100102631434_100000188473 [0,1,0,0,0,1|2,0,0]=4 5789 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 269982a_100015189987_200000210301 [0,1,0,0,0,1|2,0,0]=4 5790 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 269982a_100102631434_100000188473 [0,1,0,0,0,1|2,0,0]=4 5791 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 270004a_100102631434_100000188887 [0,1,0,0,0,1|2,0,0]=4 5792 B12R1.233 CN(C)Cc1ccc(cc1Cl)Cl 34a_100015189987_200000210301 [0,1,0,0,0,1|2,0,0]=4 5793 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 2230a_100102631434_100011216360 [0,1,0,0,0,1|2,0,0]=4 5794 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 269982a_100102631434_100011216360 [0,1,0,0,0,1|2,0,0]=4 5795 B12R1.233 CN(C)Cc1ccc(cc1Cl)F 270004a_100102631434_100000752949 [0,1,0,0,0,1|2,0,0]=4 5796 B12R1.233 CN(C)Cc1ccc(cc1F)Br 2230a_100102631434_100000211606 [0,1,0,0,0,1|2,0,0]=4 5797 B12R1.233 CN(C)Cc1ccc(cc1F)Br 269982a_100102631434_100000211606 [0,1,0,0,0,1|2,0,0]=4 5798 B12R1.233 CN(C)Cc1ccc(cc1F)Br 270004a_100102631434_100000211676 [0,1,0,0,0,1|2,0,0]=4 5799 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 2230a_100102631434_100000709361 [0,1,0,0,0,1|2,0,0]=4 5800 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 269982a_100102631434_100000709361 [0,1,0,0,0,1|2,0,0]=4 5801 B12R1.233 CN(C)Cc1ccc(cc1F)Cl 270004a_100102631434_100000697372 [0,1,0,0,0,1|2,0,0]=4 5802 B12R1.233 CN(C)Cc1ccc(cc1F)F 2230a_100000207661_200000210301 [0,1,0,0,0,1|2,0,0]=4 5803 B12R1.233 CN(C)Cc1ccc(cc1F)F 2230a_100102631434_100000748237 [0,1,0,0,0,1|2,0,0]=4 5804 B12R1.233 CN(C)Cc1ccc(cc1F)F 269982a_100000207661_200000210301 [0,1,0,0,0,1|2,0,0]=4 5805 B12R1.233 CN(C)Cc1ccc(cc1F)F 269982a_100102631434_100000748237 [0,1,0,0,0,1|2,0,0]=4 5806 B12R1.233 CN(C)Cc1ccc(cc1F)F 270004a_100102631434_100000211964 [0,1,0,0,0,1|2,0,0]=4 5807 B12R1.233 CN(C)Cc1ccc(cc1F)F 34a_100000207661_200000210301 [0,1,0,0,0,1|2,0,0]=4 5808 B12R1.233 CN(C)Cc1ccc(cc1F)I 2230a_100102631434_100010244991 [0,1,0,0,0,1|2,0,0]=4 5809 B12R1.233 CN(C)Cc1ccc(cc1F)I 269982a_100102631434_100010244991 [0,1,0,0,0,1|2,0,0]=4 5810 B12R1.233 CN(C)Cc1ccc(cc1F)O 271570a_203496583355_100000174744 [0,1,0,0,0,1|2,0,0]=4 5811 B12R1.233 CN(C)Cc1ccc(cc1I)Br 2230a_100102631434_100010146615 [0,1,0,0,0,1|2,0,0]=4 5812 B12R1.233 CN(C)Cc1ccc(cc1I)Br 269982a_100102631434_100010146615 [0,1,0,0,0,1|2,0,0]=4 5813 B12R1.233 CN(C)Cc1ccc(cc1I)Br 270004a_100102631434_100010146562 [0,1,0,0,0,1|2,0,0]=4 5814 B12R1.233 CN(C)Cc1ccc(cc1I)Cl 2230a_100102631434_100010254388 [0,1,0,0,0,1|2,0,0]=4 5815 B12R1.233 CN(C)Cc1ccc(cc1I)Cl 269982a_100102631434_100010254388 [0,1,0,0,0,1|2,0,0]=4 5816 B12R1.233 CN(C)Cc1ccc(cc1I)F 2230a_100102631434_100012354799 [0,1,0,0,0,1|2,0,0]=4 5817 B12R1.233 CN(C)Cc1ccc(cc1I)F 269982a_100102631434_100012354799 [0,1,0,0,0,1|2,0,0]=4 5818 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 2230a_200011192132_200025704644 [0,1,0,0,0,1|2,0,0]=4 5819 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 269982a_200011192132_200025704644 [0,1,0,0,0,1|2,0,0]=4 5820 B12R1.233 CN([13CH3])Cc1ccc(cc1Br)F 34a_200011192132_200025704644 [0,1,0,0,0,1|2,0,0]=4 5821 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 2230a_100015189987_200025704644 [0,1,0,0,0,1|2,0,0]=4 5822 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 269982a_100015189987_200025704644 [0,1,0,0,0,1|2,0,0]=4 5823 B12R1.233 CN([13CH3])Cc1ccc(cc1Cl)Cl 34a_100015189987_200025704644 [0,1,0,0,0,1|2,0,0]=4 5824 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 2230a_100000207661_200025704644 [0,1,0,0,0,1|2,0,0]=4 5825 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 269982a_100000207661_200025704644 [0,1,0,0,0,1|2,0,0]=4 5826 B12R1.233 CN([13CH3])Cc1ccc(cc1F)F 34a_100000207661_200025704644 [0,1,0,0,0,1|2,0,0]=4 5827 B12R1.233 Cc1c[n+](ccc1SC(C)C)[O-] 62a_100000210206_100000074940 [0,1,0,0,0,1|2,0,0]=4 5828 B12R1.233 Cc1cc(=O)c(co1)OC(C)C 34a_100000081520_100000210206 [0,1,0,0,0,1|1,0,1]=4 5829 B12R1.233 Cc1cc(c(cn1)OC(C)C)Br 34a_100009843476_100000210206 [0,1,0,0,0,1|2,0,0]=4 5830 B12R1.233 Cc1cc(c(cn1)OC(C)C)Br 7a_100009843476_100000210206 [0,1,0,0,0,1|2,0,0]=4 5831 B12R1.233 Cc1cc(c(cn1)OC(C)C)C 34a_200000068632_100000210206 [0,1,0,0,0,1|2,0,0]=4 5832 B12R1.233 Cc1cc(c(cn1)OC(C)C)C 7a_200000068632_100000210206 [0,1,0,0,0,1|2,0,0]=4 5833 B12R1.233 Cc1cc(c(cn1)SC(C)C)C 62a_100000210206_100009819613 [0,1,0,0,0,1|2,0,0]=4 5834 B12R1.233 Cc1cc(c(cn1)SC(C)C)C 62a_100009819613_100000210206 [0,1,0,0,0,1|2,0,0]=4 5835 B12R1.233 Cc1cc(c(cn1)SC(C)C)N 62a_100000210206_100009817891 [0,1,0,0,0,1|2,0,0]=4 5836 B12R1.233 Cc1cc(c(cn1)SC(C)C)N 62a_100009817891_100000210206 [0,1,0,0,0,1|2,0,0]=4 5837 B12R1.233 Cc1cc(c(cn1)SC(C)C)O 62a_100000210206_100011016184 [0,1,0,0,0,1|1,0,0]=3 5838 B12R1.233 Cc1cc(c(cn1)SC(C)C)O 62a_100011016184_100000210206 [0,1,0,0,0,1|1,0,0]=3 5839 B12R1.233 Cc1cc(ccc1CN(C)C)Br 2230a_100102631434_100000708836 [0,1,0,0,0,1|2,0,0]=4 5840 B12R1.233 Cc1cc(ccc1CN(C)C)Br 269982a_100102631434_100000708836 [0,1,0,0,0,1|2,0,0]=4 5841 B12R1.233 Cc1cc(ccc1CN(C)C)Br 270004a_100102631434_100000687586 [0,1,0,0,0,1|2,0,0]=4 5842 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 2230a_100102631434_100012361307 [0,1,0,0,0,1|2,0,0]=4 5843 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 269982a_100102631434_100012361307 [0,1,0,0,0,1|2,0,0]=4 5844 B12R1.233 Cc1cc(ccc1CN(C)C)Cl 270004a_100102631434_100000766358 [0,1,0,0,0,1|2,0,0]=4 5845 B12R1.233 Cc1cc(ccc1CN(C)C)F 2230a_100102631434_100000700533 [0,1,0,0,0,1|2,0,0]=4 5846 B12R1.233 Cc1cc(ccc1CN(C)C)F 269982a_100102631434_100000700533 [0,1,0,0,0,1|2,0,0]=4 5847 B12R1.233 Cc1cc(ccc1CN(C)C)F 270004a_100102631434_100000745986 [0,1,0,0,0,1|2,0,0]=4 5848 B12R1.233 Cc1cc(ccc1NC(C)C)Br 34a_100000211769_100000210206 [0,1,0,0,0,1|1,0,0]=3 5849 B12R1.233 Cc1cc(ccc1NC(C)C)Br 7a_100000211769_100000210206 [0,1,0,0,0,1|1,0,0]=3 5850 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 34a_100000210418_100000210206 [0,1,0,0,0,1|1,0,0]=3 5851 B12R1.233 Cc1cc(ccc1NC(C)C)Cl 7a_100000210418_100000210206 [0,1,0,0,0,1|1,0,0]=3 5852 B12R1.233 Cc1cc(ccc1NC(C)C)F 34a_100000211637_100000210206 [0,1,0,0,0,1|1,0,0]=3 5853 B12R1.233 Cc1cc(ccc1NC(C)C)F 7a_100000211637_100000210206 [0,1,0,0,0,1|1,0,0]=3 5854 B12R1.233 Cc1cc(ccc1NC(C)C)I 34a_100000184554_100000210206 [0,1,0,0,0,1|1,0,0]=3 5855 B12R1.233 Cc1cc(ccc1NC(C)C)I 7a_100000184554_100000210206 [0,1,0,0,0,1|1,0,0]=3 5856 B12R1.233 Cc1cc(ccc1NC(C)C)O 34a_100000756630_100000210206 [0,1,0,0,0,1|1,0,0]=3 5857 B12R1.233 Cc1cc(ccc1OC(C)C)Br 34a_100000186361_100000210206 [0,1,0,0,0,1|1,0,0]=3 5858 B12R1.233 Cc1cc(ccc1OC(C)C)Br 7a_100000186361_100000210206 [0,1,0,0,0,1|1,0,0]=3 5859 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 34a_100000211091_100000210206 [0,1,0,0,0,1|1,0,0]=3 5860 B12R1.233 Cc1cc(ccc1OC(C)C)Cl 7a_100000211091_100000210206 [0,1,0,0,0,1|1,0,0]=3 5861 B12R1.233 Cc1cc(ccc1OC(C)C)F 34a_100000764316_100000210206 [0,1,0,0,0,1|1,0,0]=3 5862 B12R1.233 Cc1cc(ccc1OC(C)C)F 7a_100000764316_100000210206 [0,1,0,0,0,1|1,0,0]=3 5863 B12R1.233 Cc1cc(ccc1OC(C)C)I 34a_100011218673_100000210206 [0,1,0,0,0,1|1,0,0]=3 5864 B12R1.233 Cc1cc(ccc1OC(C)C)I 7a_100011218673_100000210206 [0,1,0,0,0,1|1,0,0]=3 5865 B12R1.233 Cc1cc(ccc1OC(C)C)N 34a_100011218179_100000210206 [0,1,0,0,0,1|1,0,0]=3 5866 B12R1.233 Cc1cc(ccc1OC(C)C)N 7a_100011218179_100000210206 [0,1,0,0,0,1|1,0,0]=3 5867 B12R1.233 Cc1cc(ccc1OC(C)C)O 271570a_203496583355_200011825982 [0,1,0,0,0,1|1,0,0]=3 5868 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000210206_100000701812 [0,1,0,0,0,1|1,0,0]=3 5869 B12R1.233 Cc1cc(ccc1SC(C)C)Br 62a_100000701812_100000210206 [0,1,0,0,0,1|1,0,0]=3 5870 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100000210206_100011219607 [0,1,0,0,0,1|1,0,0]=3 5871 B12R1.233 Cc1cc(ccc1SC(C)C)Cl 62a_100011219607_100000210206 [0,1,0,0,0,1|1,0,0]=3 5872 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100000210206_100011205405 [0,1,0,0,0,1|1,0,0]=3 5873 B12R1.233 Cc1cc(ccc1SC(C)C)F 62a_100011205405_100000210206 [0,1,0,0,0,1|1,0,0]=3 5874 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210206_100000210723 [0,1,0,0,0,1|1,0,0]=3 5875 B12R1.233 Cc1cc(ccc1SC(C)C)N 62a_100000210723_100000210206 [0,1,0,0,0,1|1,0,0]=3 5876 B12R1.233 Cc1cc(ccc1SC(C)C)O 62a_100000210206_100000690111 [0,1,0,0,0,1|1,0,0]=3 5877 B12R1.233 Cc1cc(cnc1OC(C)C)Br 34a_100000685391_100000210206 [0,1,0,0,0,1|2,0,0]=4 5878 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100000210206_100012353652 [0,1,0,0,0,1|2,0,0]=4 5879 B12R1.233 Cc1cc(cnc1SC(C)C)Br 62a_100012353652_100000210206 [0,1,0,0,0,1|2,0,0]=4 5880 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100000210206_100009817009 [0,1,0,0,0,1|2,0,0]=4 5881 B12R1.233 Cc1cc(cnc1SC(C)C)F 62a_100009817009_100000210206 [0,1,0,0,0,1|2,0,0]=4 5882 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000210206_100000761747 [0,1,0,0,0,1|2,0,0]=4 5883 B12R1.233 Cc1cc(cnc1SC(C)C)N 62a_100000761747_100000210206 [0,1,0,0,0,1|2,0,0]=4 5884 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100000210206_100012000486 [0,1,0,0,0,1|2,0,0]=4 5885 B12R1.233 Cc1cc(cnc1SC(C)C)O 62a_100012000486_100000210206 [0,1,0,0,0,1|2,0,0]=4 5886 B12R1.233 Cc1cc(ncc1OC(C)C)Cl 34a_100000692680_100000210206 [0,1,0,0,0,1|2,0,0]=4 5887 B12R1.233 Cc1cc(ncc1OC(C)C)Cl 7a_100000692680_100000210206 [0,1,0,0,0,1|2,0,0]=4 5888 B12R1.233 Cc1cc(ncc1OC(C)C)F 34a_100009856773_100000210206 [0,1,0,0,0,1|2,0,0]=4 5889 B12R1.233 Cc1cc(ncc1OC(C)C)F 7a_100009856773_100000210206 [0,1,0,0,0,1|2,0,0]=4 5890 B12R1.233 Cc1cc(ncc1SC(C)C)Br 62a_100000210206_100009816104 [0,1,0,0,0,1|2,0,0]=4 5891 B12R1.233 Cc1cc(ncc1SC(C)C)Br 62a_100009816104_100000210206 [0,1,0,0,0,1|2,0,0]=4 5892 B12R1.233 Cc1cc(ncc1SC(C)C)Cl 62a_100000210206_100010172789 [0,1,0,0,0,1|2,0,0]=4 5893 B12R1.233 Cc1cc(ncc1SC(C)C)Cl 62a_100010172789_100000210206 [0,1,0,0,0,1|2,0,0]=4 5894 B12R1.233 Cc1cc(ncc1SC(C)C)F 62a_100000210206_100009820716 [0,1,0,0,0,1|2,0,0]=4 5895 B12R1.233 Cc1cc(ncc1SC(C)C)F 62a_100009820716_100000210206 [0,1,0,0,0,1|2,0,0]=4 5896 B12R1.233 Cc1cc(ncc1SC(C)C)N 62a_100000050067_100000210206 [0,1,0,0,0,1|2,0,0]=4 5897 B12R1.233 Cc1cc(ncc1SC(C)C)N 62a_100000210206_100000050067 [0,1,0,0,0,1|2,0,0]=4 5898 B12R1.233 Cc1cc(ncc1SC(C)C)O 62a_100000210206_100000766222 [0,1,0,0,0,1|2,0,0]=4 5899 B12R1.233 Cc1cc(ncc1SC(C)C)O 62a_100000766222_100000210206 [0,1,0,0,0,1|2,0,0]=4 5900 B12R1.233 Cc1ccc([n+](c1)[O-])SC(C)C 62a_100000210206_100009819918 [0,1,0,0,0,1|1,0,1]=4 5901 B12R1.233 Cc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000692596 [0,1,0,0,0,1|2,0,0]=4 5902 B12R1.233 Cc1ccc(c(c1)Br)NC(C)C 34a_100000210942_100000210206 [0,1,0,0,0,1|1,0,0]=3 5903 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 34a_100000210800_100000210206 [0,1,0,0,0,1|1,0,0]=3 5904 B12R1.233 Cc1ccc(c(c1)Br)OC(C)C 7a_100000210800_100000210206 [0,1,0,0,0,1|1,0,0]=3 5905 B12R1.233 Cc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100009813563 [0,1,0,0,0,1|1,0,0]=3 5906 B12R1.233 Cc1ccc(c(c1)Br)SC(C)C 62a_100009813563_100000210206 [0,1,0,0,0,1|1,0,0]=3 5907 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100025771030_200000210301 [0,1,0,0,0,1|2,0,0]=4 5908 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100102631434_100011219618 [0,1,0,0,0,1|2,0,0]=4 5909 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100025771030_200000210301 [0,1,0,0,0,1|2,0,0]=4 5910 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100102631434_100011219618 [0,1,0,0,0,1|2,0,0]=4 5911 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100000211342 [0,1,0,0,0,1|2,0,0]=4 5912 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 34a_100025771030_200000210301 [0,1,0,0,0,1|2,0,0]=4 5913 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 2230a_100025771030_200025704644 [0,1,0,0,0,1|2,0,0]=4 5914 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 269982a_100025771030_200025704644 [0,1,0,0,0,1|2,0,0]=4 5915 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 34a_100025771030_200025704644 [0,1,0,0,0,1|2,0,0]=4 5916 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 34a_100000736561_100000210206 [0,1,0,0,0,1|1,0,0]=3 5917 B12R1.233 Cc1ccc(c(c1)C)NC(C)C 7a_100000736561_100000210206 [0,1,0,0,0,1|1,0,0]=3 5918 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 34a_100000211776_100000210206 [0,1,0,0,0,1|1,0,0]=3 5919 B12R1.233 Cc1ccc(c(c1)C)OC(C)C 7a_100000211776_100000210206 [0,1,0,0,0,1|1,0,0]=3 5920 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100000210206_100011217332 [0,1,0,0,0,1|1,0,0]=3 5921 B12R1.233 Cc1ccc(c(c1)C)SC(C)C 62a_100011217332_100000210206 [0,1,0,0,0,1|1,0,0]=3 5922 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_100012349684 [0,1,0,0,0,1|2,0,0]=4 5923 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_100012349684 [0,1,0,0,0,1|2,0,0]=4 5924 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100011935181 [0,1,0,0,0,1|2,0,0]=4 5925 B12R1.233 Cc1ccc(c(c1)Cl)NC(C)C 34a_100000210522_100000210206 [0,1,0,0,0,1|1,0,0]=3 5926 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 34a_100000749699_100000210206 [0,1,0,0,0,1|1,0,0]=3 5927 B12R1.233 Cc1ccc(c(c1)Cl)OC(C)C 7a_100000749699_100000210206 [0,1,0,0,0,1|1,0,0]=3 5928 B12R1.233 Cc1ccc(c(c1)Cl)SC(C)C 62a_100000210206_100011263221 [0,1,0,0,0,1|1,0,0]=3 5929 B12R1.233 Cc1ccc(c(c1)Cl)SC(C)C 62a_100011263221_100000210206 [0,1,0,0,0,1|1,0,0]=3 5930 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011217900 [0,1,0,0,0,1|2,0,0]=4 5931 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011217900 [0,1,0,0,0,1|2,0,0]=4 5932 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011217368 [0,1,0,0,0,1|2,0,0]=4 5933 B12R1.233 Cc1ccc(c(c1)F)NC(C)C 34a_100000211023_100000210206 [0,1,0,0,0,1|1,0,0]=3 5934 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 34a_100011216688_100000210206 [0,1,0,0,0,1|1,0,0]=3 5935 B12R1.233 Cc1ccc(c(c1)F)OC(C)C 7a_100011216688_100000210206 [0,1,0,0,0,1|1,0,0]=3 5936 B12R1.233 Cc1ccc(c(c1)F)SC(C)C 62a_100000210206_100011216119 [0,1,0,0,0,1|1,0,0]=3 5937 B12R1.233 Cc1ccc(c(c1)F)SC(C)C 62a_100011216119_100000210206 [0,1,0,0,0,1|1,0,0]=3 5938 B12R1.233 Cc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010150104 [0,1,0,0,0,1|2,0,0]=4 5939 B12R1.233 Cc1ccc(c(c1)I)NC(C)C 34a_100011356834_100000210206 [0,1,0,0,0,1|1,0,0]=3 5940 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 34a_100000765521_100000210206 [0,1,0,0,0,1|1,0,0]=3 5941 B12R1.233 Cc1ccc(c(c1)I)OC(C)C 7a_100000765521_100000210206 [0,1,0,0,0,1|1,0,0]=3 5942 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 34a_100011215204_100000210206 [0,1,0,0,0,1|1,0,0]=3 5943 B12R1.233 Cc1ccc(c(c1)N)OC(C)C 7a_100011215204_100000210206 [0,1,0,0,0,1|1,0,0]=3 5944 B12R1.233 Cc1ccc(c(c1)N)SC(C)C 62a_100000210206_100011216686 [0,1,0,0,0,1|1,0,0]=3 5945 B12R1.233 Cc1ccc(c(c1)N)SC(C)C 62a_100011216686_100000210206 [0,1,0,0,0,1|1,0,0]=3 5946 B12R1.233 Cc1ccc(c(c1)O)NC(C)C 34a_100000211527_100000210206 [0,1,0,0,0,1|0,0,0]=2 5947 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100000210206_100012002257 [0,1,0,0,0,1|0,0,0]=2 5948 B12R1.233 Cc1ccc(c(c1)O)SC(C)C 62a_100012002257_100000210206 [0,1,0,0,0,1|0,0,0]=2 5949 B12R1.233 Cc1ccc(c(n1)Br)OC(C)C 34a_100000702858_100000210206 [0,1,0,0,0,1|2,0,0]=4 5950 B12R1.233 Cc1ccc(c(n1)Br)OC(C)C 7a_100000702858_100000210206 [0,1,0,0,0,1|2,0,0]=4 5951 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 34a_100011218912_100000210206 [0,1,0,0,0,1|2,0,0]=4 5952 B12R1.233 Cc1ccc(c(n1)C)OC(C)C 7a_100011218912_100000210206 [0,1,0,0,0,1|2,0,0]=4 5953 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100000210206_100009813853 [0,1,0,0,0,1|2,0,0]=4 5954 B12R1.233 Cc1ccc(c(n1)C)SC(C)C 62a_100009813853_100000210206 [0,1,0,0,0,1|2,0,0]=4 5955 B12R1.233 Cc1ccc(c(n1)Cl)OC(C)C 34a_100000086286_100000210206 [0,1,0,0,0,1|2,0,0]=4 5956 B12R1.233 Cc1ccc(c(n1)Cl)OC(C)C 7a_100000086286_100000210206 [0,1,0,0,0,1|2,0,0]=4 5957 B12R1.233 Cc1ccc(c(n1)F)OC(C)C 34a_100000079963_100000210206 [0,1,0,0,0,1|2,0,0]=4 5958 B12R1.233 Cc1ccc(c(n1)F)OC(C)C 7a_100000079963_100000210206 [0,1,0,0,0,1|2,0,0]=4 5959 B12R1.233 Cc1ccc(c(n1)F)SC(C)C 62a_100000210206_100010006597 [0,1,0,0,0,1|2,0,0]=4 5960 B12R1.233 Cc1ccc(c(n1)F)SC(C)C 62a_100010006597_100000210206 [0,1,0,0,0,1|2,0,0]=4 5961 B12R1.233 Cc1ccc(c(n1)I)OC(C)C 34a_100000023897_100000210206 [0,1,0,0,0,1|2,0,0]=4 5962 B12R1.233 Cc1ccc(c(n1)I)OC(C)C 7a_100000023897_100000210206 [0,1,0,0,0,1|2,0,0]=4 5963 B12R1.233 Cc1ccc(c(n1)N)OC(C)C 34a_100000694039_100000210206 [0,1,0,0,0,1|2,0,0]=4 5964 B12R1.233 Cc1ccc(c(n1)N)OC(C)C 7a_100000694039_100000210206 [0,1,0,0,0,1|2,0,0]=4 5965 B12R1.233 Cc1ccc(c(n1)N)SC(C)C 62a_100000210206_100009816662 [0,1,0,0,0,1|2,0,0]=4 5966 B12R1.233 Cc1ccc(c(n1)N)SC(C)C 62a_100009816662_100000210206 [0,1,0,0,0,1|2,0,0]=4 5967 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100000210206_100009817604 [0,1,0,0,0,1|1,0,0]=3 5968 B12R1.233 Cc1ccc(c(n1)O)SC(C)C 62a_100009817604_100000210206 [0,1,0,0,0,1|1,0,0]=3 5969 B12R1.233 Cc1cnc(c(c1)Br)OC(C)C 34a_100000719714_100000210206 [0,1,0,0,0,1|2,0,0]=4 5970 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100000210206_100009864548 [0,1,0,0,0,1|2,0,0]=4 5971 B12R1.233 Cc1cnc(c(c1)C)SC(C)C 62a_100009864548_100000210206 [0,1,0,0,0,1|2,0,0]=4 5972 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100000210206_100009819633 [0,1,0,0,0,1|2,0,0]=4 5973 B12R1.233 Cc1cnc(c(c1)F)SC(C)C 62a_100009819633_100000210206 [0,1,0,0,0,1|2,0,0]=4 5974 B12R1.233 Cc1cnc(c(c1)N)OC(C)C 34a_100012000488_100000210206 [0,1,0,0,0,1|2,0,0]=4 5975 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000210206_100000733613 [0,1,0,0,0,1|2,0,0]=4 5976 B12R1.233 Cc1cnc(c(c1)N)SC(C)C 62a_100000733613_100000210206 [0,1,0,0,0,1|2,0,0]=4 5977 B12R1.233 Cc1cnc(c(c1)O)OC(C)C 271570a_203496583355_200012348018 [0,1,0,0,0,1|1,0,0]=3 5978 B12R1.233 Cc1cnc(c(c1)O)SC(C)C 62a_100000210206_100012000487 [0,1,0,0,0,1|1,0,0]=3 5979 B12R1.233 Cc1nc(ccc1OC(C)C)Br 34a_100012002022_100000210206 [0,1,0,0,0,1|2,0,0]=4 5980 B12R1.233 Cc1nc(ccc1OC(C)C)Br 7a_100012002022_100000210206 [0,1,0,0,0,1|2,0,0]=4 5981 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 34a_100012184626_100000210206 [0,1,0,0,0,1|2,0,0]=4 5982 B12R1.233 Cc1nc(ccc1OC(C)C)Cl 7a_100012184626_100000210206 [0,1,0,0,0,1|2,0,0]=4 5983 B12R1.233 Cc1nc(ccc1OC(C)C)F 34a_100009881036_100000210206 [0,1,0,0,0,1|2,0,0]=4 5984 B12R1.233 Cc1nc(ccc1OC(C)C)F 7a_100009881036_100000210206 [0,1,0,0,0,1|2,0,0]=4 5985 B12R1.233 Cc1nc(ccc1OC(C)C)I 34a_100010233687_100000210206 [0,1,0,0,0,1|2,0,0]=4 5986 B12R1.233 Cc1nc(ccc1OC(C)C)I 7a_100010233687_100000210206 [0,1,0,0,0,1|2,0,0]=4 5987 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000062408_100000210206 [0,1,0,0,0,1|2,0,0]=4 5988 B12R1.233 Cc1nc(ccc1SC(C)C)Cl 62a_100000210206_100000062408 [0,1,0,0,0,1|2,0,0]=4 5989 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000210206_100000688911 [0,1,0,0,0,1|2,0,0]=4 5990 B12R1.233 Cc1nc(ccc1SC(C)C)F 62a_100000688911_100000210206 [0,1,0,0,0,1|2,0,0]=4 5991 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000187202_100000210206 [0,1,0,0,0,1|2,0,0]=4 5992 B12R1.233 Cc1nc(ccc1SC(C)C)N 62a_100000210206_100000187202 [0,1,0,0,0,1|2,0,0]=4 5993 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000210206_100000691680 [0,1,0,0,0,1|2,0,0]=4 5994 B12R1.233 Cc1nc(ccc1SC(C)C)O 62a_100000691680_100000210206 [0,1,0,0,0,1|2,0,0]=4 5995 B12R1.233 Oc1cc(ccc1OC(F)F)F 271570a_203496583355_100000179093 [0,1,0,0,0,1|2,0,0]=4 5996 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,1,0,0,0,1|1,0,1]=4 5997 B12R1.371 C#CC(C)Nc1ccccc1Br 34a_100000210017_200000035995 [0,1,0,0,0,1|1,0,1]=4 5998 B12R1.371 C#CC(C)Nc1ccccc1C 34a_100015192222_200000035995 [0,1,0,0,0,1|1,0,1]=4 5999 B12R1.371 C#CC(C)Nc1ccccc1Cl 34a_100000185783_200000035995 [0,1,0,0,0,1|1,0,1]=4 6000 B12R1.371 C#CC(C)Nc1ccccc1F 34a_100000210422_200000035995 [0,1,0,0,0,1|1,0,1]=4 6001 B12R1.371 C#CC(C)Nc1ccccc1I 34a_100000210053_200000035995 [0,1,0,0,0,1|1,0,1]=4 6002 B12R1.371 C#CC(C)Nc1ccccc1O 34a_100000185747_200000035995 [0,1,0,0,0,1|0,0,1]=3 6003 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,1,0,0,0,1|1,0,1]=4 6004 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,1,0,0,0,1|1,0,1]=4 6005 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,1,0,0,0,1|1,0,1]=4 6006 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,1,0,0,0,1|1,0,1]=4 6007 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,1,0,0,0,1|1,0,1]=4 6008 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,1,0,0,0,1|1,0,1]=4 6009 B12R1.371 C#CC(C)Sc1ccccc1Br 62a_200000035995_100000695589 [0,1,0,0,0,1|1,0,1]=4 6010 B12R1.371 C#CC(C)Sc1ccccc1C 62a_200000035995_100000210755 [0,1,0,0,0,1|1,0,1]=4 6011 B12R1.371 C#CC(C)Sc1ccccc1Cl 62a_200000035995_100000764095 [0,1,0,0,0,1|1,0,1]=4 6012 B12R1.371 C#CC(C)Sc1ccccc1F 62a_200000035995_100011215700 [0,1,0,0,0,1|1,0,1]=4 6013 B12R1.371 C#CC(C)Sc1ccccc1N 62a_200000035995_100000210017 [0,1,0,0,0,1|1,0,1]=4 6014 B12R1.371 C#CC(C)Sc1ccccc1O 62a_200000035995_100000739446 [0,1,0,0,0,1|0,0,1]=3 6015 B12R1.371 C#CC(C)Sc1cccnc1O 62a_200000035995_100000760158 [0,1,0,0,0,1|1,0,1]=4 6016 B12R1.371 C#CC(C)Sc1ccncc1O 62a_200000035995_100009817591 [0,1,0,0,0,1|1,0,1]=4 6017 B12R1.371 C#CC(C)Sc1ncccc1O 62a_200000035995_100000034122 [0,1,0,0,0,1|1,0,1]=4 6018 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,1,0,0,0,1|1,0,1]=4 6019 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,1,0,0,0,1|1,0,1]=4 6020 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,1,0,0,0,1|1,0,1]=4 6021 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,1,0,0,0,1|1,0,1]=4 6022 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,1,0,0,0,1|1,0,1]=4 6023 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,1,0,0,0,1|0,0,1]=3 6024 B12R1.371 C=CC(C)Sc1cccnc1O 62a_100011215867_100000760158 [0,1,0,0,0,1|1,0,1]=4 6025 B12R1.371 C=CC(C)Sc1ccncc1O 62a_100011215867_100009817591 [0,1,0,0,0,1|1,0,1]=4 6026 B12R1.371 C=CC(C)Sc1ncccc1O 62a_100011215867_100000034122 [0,1,0,0,0,1|1,0,1]=4 6027 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,1,0,0,0,1|1,0,1]=4 6028 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,1,0,0,0,1|1,0,1]=4 6029 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,1,0,0,0,1|1,0,1]=4 6030 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,1,0,0,0,1|1,0,1]=4 6031 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,1,0,0,0,1|1,0,1]=4 6032 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000695589_100000703298 [0,1,0,0,0,1|1,0,1]=4 6033 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000703298_100000695589 [0,1,0,0,0,1|1,0,1]=4 6034 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000703298_100000764095 [0,1,0,0,0,1|1,0,1]=4 6035 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000764095_100000703298 [0,1,0,0,0,1|1,0,1]=4 6036 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100000703298_100011215700 [0,1,0,0,0,1|1,0,1]=4 6037 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100011215700_100000703298 [0,1,0,0,0,1|1,0,1]=4 6038 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000210017_100000703298 [0,1,0,0,0,1|1,0,1]=4 6039 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000703298_100000210017 [0,1,0,0,0,1|1,0,1]=4 6040 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000703298_100000739446 [0,1,0,0,0,1|0,0,1]=3 6041 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000739446_100000703298 [0,1,0,0,0,1|0,0,1]=3 6042 B12R1.371 CC(C#N)Sc1cccnc1O 62a_100000703298_100000760158 [0,1,0,0,0,1|1,0,1]=4 6043 B12R1.371 CC(C#N)Sc1cccnc1O 62a_100000760158_100000703298 [0,1,0,0,0,1|1,0,1]=4 6044 B12R1.371 CC(C#N)Sc1ccncc1O 62a_100000703298_100009817591 [0,1,0,0,0,1|1,0,1]=4 6045 B12R1.371 CC(C#N)Sc1ccncc1O 62a_100009817591_100000703298 [0,1,0,0,0,1|1,0,1]=4 6046 B12R1.371 CC(C#N)Sc1ncccc1O 62a_100000034122_100000703298 [0,1,0,0,0,1|1,0,1]=4 6047 B12R1.371 CC(C#N)Sc1ncccc1O 62a_100000703298_100000034122 [0,1,0,0,0,1|1,0,1]=4 6048 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,1,0,0,0,1|1,0,0]=3 6049 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,1,0,0,0,1|1,0,0]=3 6050 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,1,0,0,0,1|1,0,0]=3 6051 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,1,0,0,0,1|1,0,0]=3 6052 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,1,0,0,0,1|0,0,0]=2 6053 B12R1.371 CC(CO)Oc1cccc[n+]1[O-] 7a_100000211761_100012180447 [0,1,0,0,0,1|1,0,1]=4 6054 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,1,0,0,0,1|1,0,0]=3 6055 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,1,0,0,0,1|1,0,0]=3 6056 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,1,0,0,0,1|1,0,0]=3 6057 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,1,0,0,0,1|1,0,0]=3 6058 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,1,0,0,0,1|1,0,0]=3 6059 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,1,0,0,0,1|1,0,0]=3 6060 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,1,0,0,0,1|1,0,0]=3 6061 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,1,0,0,0,1|1,0,0]=3 6062 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,1,0,0,0,1|1,0,0]=3 6063 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,1,0,0,0,1|1,0,0]=3 6064 B12R1.371 CC(CO)Oc1cccnc1Br 34a_100000744436_100012180447 [0,1,0,0,0,1|2,0,0]=4 6065 B12R1.371 CC(CO)Oc1cccnc1Br 7a_100000744436_100012180447 [0,1,0,0,0,1|2,0,0]=4 6066 B12R1.371 CC(CO)Oc1cccnc1Cl 34a_100000757616_100012180447 [0,1,0,0,0,1|2,0,0]=4 6067 B12R1.371 CC(CO)Oc1cccnc1Cl 7a_100000757616_100012180447 [0,1,0,0,0,1|2,0,0]=4 6068 B12R1.371 CC(CO)Oc1cccnc1F 34a_100000061740_100012180447 [0,1,0,0,0,1|2,0,0]=4 6069 B12R1.371 CC(CO)Oc1cccnc1F 7a_100000061740_100012180447 [0,1,0,0,0,1|2,0,0]=4 6070 B12R1.371 CC(CO)Oc1cccnc1I 34a_100000034122_100012180447 [0,1,0,0,0,1|2,0,0]=4 6071 B12R1.371 CC(CO)Oc1cccnc1I 7a_100000034122_100012180447 [0,1,0,0,0,1|2,0,0]=4 6072 B12R1.371 CC(CO)Oc1cccnc1N 34a_100000211975_100012180447 [0,1,0,0,0,1|2,0,0]=4 6073 B12R1.371 CC(CO)Oc1cccnc1N 7a_100000211975_100012180447 [0,1,0,0,0,1|2,0,0]=4 6074 B12R1.371 CC(CO)Oc1cccoc1=O 34a_100000077404_100012180447 [0,1,0,0,0,1|1,0,1]=4 6075 B12R1.371 CC(CO)Oc1cccoc1=O 7a_100000077404_100012180447 [0,1,0,0,0,1|1,0,1]=4 6076 B12R1.371 CC(CO)Oc1ccncc1Br 34a_100011996408_100012180447 [0,1,0,0,0,1|2,0,0]=4 6077 B12R1.371 CC(CO)Oc1ccncc1Cl 34a_100011997054_100012180447 [0,1,0,0,0,1|2,0,0]=4 6078 B12R1.371 CC(CO)Oc1ccncc1F 34a_200000081243_100012180447 [0,1,0,0,0,1|2,0,0]=4 6079 B12R1.371 CC(CO)Oc1cnccc1Cl 34a_100011996695_100012180447 [0,1,0,0,0,1|2,0,0]=4 6080 B12R1.371 CC(CO)Oc1cnccc1I 34a_100000050107_100012180447 [0,1,0,0,0,1|2,0,0]=4 6081 B12R1.371 CC(CO)Oc1cnccc1N 34a_100000753702_100012180447 [0,1,0,0,0,1|2,0,0]=4 6082 B12R1.371 CC(CO)Oc1coccc1=O 34a_100000060831_100012180447 [0,1,0,0,0,1|1,0,1]=4 6083 B12R1.371 CC(CO)Oc1ncccc1Cl 34a_100011290957_100012180447 [0,1,0,0,0,1|2,0,0]=4 6084 B12R1.371 CC(CO)Oc1ncccc1F 34a_100011219419_100012180447 [0,1,0,0,0,1|2,0,0]=4 6085 B12R1.371 CC(CO)Oc1ncccc1N 34a_100000746358_100012180447 [0,1,0,0,0,1|2,0,0]=4 6086 B12R1.371 CC(CO)Sc1c[nH]ccc1=O 62a_100012180447_100009998708 [0,1,0,0,0,1|1,0,1]=4 6087 B12R1.371 CC(CO)Sc1c[nH]ccc1=S 62a_100012180447_200012280681 [0,1,0,0,0,1|1,1,0]=4 6088 B12R1.371 CC(CO)Sc1cccc[n+]1C 62a_100012180447_100000212160 [0,1,0,0,0,1|2,0,0]=4 6089 B12R1.371 CC(CO)Sc1cccc[n+]1[O-] 62a_100012180447_200000042595 [0,1,0,0,0,1|1,0,1]=4 6090 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,1,0,0,0,1|1,0,0]=3 6091 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,1,0,0,0,1|1,0,0]=3 6092 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,1,0,0,0,1|1,0,0]=3 6093 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,1,0,0,0,1|1,0,0]=3 6094 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,1,0,0,0,1|0,0,0]=2 6095 B12R1.371 CC(CO)Sc1cccnc1Br 62a_100012180447_100010202626 [0,1,0,0,0,1|2,0,0]=4 6096 B12R1.371 CC(CO)Sc1cccnc1Cl 62a_100012180447_100000036424 [0,1,0,0,0,1|2,0,0]=4 6097 B12R1.371 CC(CO)Sc1cccnc1F 62a_100012180447_100009816115 [0,1,0,0,0,1|2,0,0]=4 6098 B12R1.371 CC(CO)Sc1cccnc1N 62a_100012180447_100000045569 [0,1,0,0,0,1|2,0,0]=4 6099 B12R1.371 CC(CO)Sc1cccnc1O 62a_100012180447_100000760158 [0,1,0,0,0,1|1,0,0]=3 6100 B12R1.371 CC(CO)Sc1ccncc1Br 62a_100012180447_100000726257 [0,1,0,0,0,1|2,0,0]=4 6101 B12R1.371 CC(CO)Sc1ccncc1Cl 62a_100012180447_100000708259 [0,1,0,0,0,1|2,0,0]=4 6102 B12R1.371 CC(CO)Sc1ccncc1F 62a_100012180447_100000047030 [0,1,0,0,0,1|2,0,0]=4 6103 B12R1.371 CC(CO)Sc1ccncc1N 62a_100012180447_100000756074 [0,1,0,0,0,1|2,0,0]=4 6104 B12R1.371 CC(CO)Sc1ccncc1O 62a_100012180447_100009817591 [0,1,0,0,0,1|1,0,0]=3 6105 B12R1.371 CC(CO)Sc1cnccc1Br 62a_100012180447_100010138639 [0,1,0,0,0,1|2,0,0]=4 6106 B12R1.371 CC(CO)Sc1cnccc1Cl 62a_100012180447_100009995489 [0,1,0,0,0,1|2,0,0]=4 6107 B12R1.371 CC(CO)Sc1cnccc1F 62a_100012180447_100009820683 [0,1,0,0,0,1|2,0,0]=4 6108 B12R1.371 CC(CO)Sc1cnccc1N 62a_100012180447_100000047001 [0,1,0,0,0,1|2,0,0]=4 6109 B12R1.371 CC(CO)Sc1cncnc1O 62a_100012180447_100000751107 [0,1,0,0,0,1|2,0,0]=4 6110 B12R1.371 CC(CO)Sc1ncccc1Br 62a_100012180447_100000696092 [0,1,0,0,0,1|2,0,0]=4 6111 B12R1.371 CC(CO)Sc1ncccc1Cl 62a_100012180447_100011356963 [0,1,0,0,0,1|2,0,0]=4 6112 B12R1.371 CC(CO)Sc1ncccc1F 62a_100012180447_100000685392 [0,1,0,0,0,1|2,0,0]=4 6113 B12R1.371 CC(CO)Sc1ncccc1N 62a_100012180447_100000688686 [0,1,0,0,0,1|2,0,0]=4 6114 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [0,1,0,0,0,1|1,0,0]=3 6115 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,1|1,0,1]=4 6116 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,0,1|1,0,1]=4 6117 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,0,1|1,0,1]=4 6118 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,0,1|1,0,1]=4 6119 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,1,0,0,0,1|1,0,0]=3 6120 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,1|1,0,0]=3 6121 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,1,0,0,0,1|1,0,0]=3 6122 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,1,0,0,0,1|1,0,0]=3 6123 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,1,0,0,0,1|1,0,0]=3 6124 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,1,0,0,0,1|0,0,0]=2 6125 B12R1.371 CCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000758301 [0,1,0,0,0,1|1,0,1]=4 6126 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,1,0,0,0,1|1,0,0]=3 6127 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,1,0,0,0,1|1,0,0]=3 6128 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,0,0,0,1|1,0,0]=3 6129 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,0,0,0,1|1,0,0]=3 6130 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,1,0,0,0,1|1,0,0]=3 6131 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,1,0,0,0,1|1,0,0]=3 6132 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,1,0,0,0,1|1,0,0]=3 6133 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,1,0,0,0,1|1,0,0]=3 6134 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,1,0,0,0,1|1,0,0]=3 6135 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,1,0,0,0,1|1,0,0]=3 6136 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,1,0,0,0,1|1,0,0]=3 6137 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,1,0,0,0,1|1,0,0]=3 6138 B12R1.371 CCC(C)Oc1cccnc1Br 34a_100000744436_100011215416 [0,1,0,0,0,1|2,0,0]=4 6139 B12R1.371 CCC(C)Oc1cccnc1Br 7a_100000744436_100000758301 [0,1,0,0,0,1|2,0,0]=4 6140 B12R1.371 CCC(C)Oc1cccnc1C 34a_100000745507_100011215416 [0,1,0,0,0,1|2,0,0]=4 6141 B12R1.371 CCC(C)Oc1cccnc1C 7a_100000745507_100000758301 [0,1,0,0,0,1|2,0,0]=4 6142 B12R1.371 CCC(C)Oc1cccnc1Cl 34a_100000757616_100011215416 [0,1,0,0,0,1|2,0,0]=4 6143 B12R1.371 CCC(C)Oc1cccnc1Cl 7a_100000757616_100000758301 [0,1,0,0,0,1|2,0,0]=4 6144 B12R1.371 CCC(C)Oc1cccnc1F 34a_100000061740_100011215416 [0,1,0,0,0,1|2,0,0]=4 6145 B12R1.371 CCC(C)Oc1cccnc1F 7a_100000061740_100000758301 [0,1,0,0,0,1|2,0,0]=4 6146 B12R1.371 CCC(C)Oc1cccnc1I 34a_100000034122_100011215416 [0,1,0,0,0,1|2,0,0]=4 6147 B12R1.371 CCC(C)Oc1cccnc1I 7a_100000034122_100000758301 [0,1,0,0,0,1|2,0,0]=4 6148 B12R1.371 CCC(C)Oc1cccnc1N 34a_100000211975_100011215416 [0,1,0,0,0,1|2,0,0]=4 6149 B12R1.371 CCC(C)Oc1cccnc1N 7a_100000211975_100000758301 [0,1,0,0,0,1|2,0,0]=4 6150 B12R1.371 CCC(C)Oc1cccoc1=O 34a_100000077404_100011215416 [0,1,0,0,0,1|1,0,1]=4 6151 B12R1.371 CCC(C)Oc1cccoc1=O 7a_100000077404_100000758301 [0,1,0,0,0,1|1,0,1]=4 6152 B12R1.371 CCC(C)Oc1ccncc1Br 34a_100011996408_100011215416 [0,1,0,0,0,1|2,0,0]=4 6153 B12R1.371 CCC(C)Oc1ccncc1C 34a_100000694293_100011215416 [0,1,0,0,0,1|2,0,0]=4 6154 B12R1.371 CCC(C)Oc1ccncc1Cl 34a_100011997054_100011215416 [0,1,0,0,0,1|2,0,0]=4 6155 B12R1.371 CCC(C)Oc1ccncc1F 34a_200000081243_100011215416 [0,1,0,0,0,1|2,0,0]=4 6156 B12R1.371 CCC(C)Oc1cnccc1C 34a_100011997053_100011215416 [0,1,0,0,0,1|2,0,0]=4 6157 B12R1.371 CCC(C)Oc1cnccc1C 7a_100011997053_100000758301 [0,1,0,0,0,1|2,0,0]=4 6158 B12R1.371 CCC(C)Oc1cnccc1Cl 34a_100011996695_100011215416 [0,1,0,0,0,1|2,0,0]=4 6159 B12R1.371 CCC(C)Oc1cnccc1I 34a_100000050107_100011215416 [0,1,0,0,0,1|2,0,0]=4 6160 B12R1.371 CCC(C)Oc1cnccc1N 34a_100000753702_100011215416 [0,1,0,0,0,1|2,0,0]=4 6161 B12R1.371 CCC(C)Oc1coccc1=O 34a_100000060831_100011215416 [0,1,0,0,0,1|1,0,1]=4 6162 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,1,0,0,0,1|2,0,0]=4 6163 B12R1.371 CCC(C)Oc1ncccc1F 34a_100011219419_100011215416 [0,1,0,0,0,1|2,0,0]=4 6164 B12R1.371 CCC(C)Oc1ncccc1N 34a_100000746358_100011215416 [0,1,0,0,0,1|2,0,0]=4 6165 B12R1.371 CCC(C)Sc1c[nH]ccc1=O 62a_100000758301_100009998708 [0,1,0,0,0,1|1,0,1]=4 6166 B12R1.371 CCC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000758301 [0,1,0,0,0,1|1,0,1]=4 6167 B12R1.371 CCC(C)Sc1c[nH]ccc1=S 62a_100000758301_200012280681 [0,1,0,0,0,1|1,1,0]=4 6168 B12R1.371 CCC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000758301 [0,1,0,0,0,1|1,1,0]=4 6169 B12R1.371 CCC(C)Sc1cccc[n+]1C 62a_100000758301_100000212160 [0,1,0,0,0,1|2,0,0]=4 6170 B12R1.371 CCC(C)Sc1cccc[n+]1[O-] 62a_100000758301_200000042595 [0,1,0,0,0,1|1,0,1]=4 6171 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,1,0,0,0,1|1,0,0]=3 6172 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,1,0,0,0,1|1,0,0]=3 6173 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,1,0,0,0,1|1,0,0]=3 6174 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,1,0,0,0,1|1,0,0]=3 6175 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,1,0,0,0,1|1,0,0]=3 6176 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,1,0,0,0,1|1,0,0]=3 6177 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,1,0,0,0,1|1,0,0]=3 6178 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,1,0,0,0,1|1,0,0]=3 6179 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,1,0,0,0,1|1,0,0]=3 6180 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,1,0,0,0,1|1,0,0]=3 6181 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,1,0,0,0,1|0,0,0]=2 6182 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,1,0,0,0,1|0,0,0]=2 6183 B12R1.371 CCC(C)Sc1cccnc1Br 62a_100000758301_100010202626 [0,1,0,0,0,1|2,0,0]=4 6184 B12R1.371 CCC(C)Sc1cccnc1Br 62a_100010202626_100000758301 [0,1,0,0,0,1|2,0,0]=4 6185 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000751574_100000758301 [0,1,0,0,0,1|2,0,0]=4 6186 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000758301_100000751574 [0,1,0,0,0,1|2,0,0]=4 6187 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000036424_100000758301 [0,1,0,0,0,1|2,0,0]=4 6188 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000758301_100000036424 [0,1,0,0,0,1|2,0,0]=4 6189 B12R1.371 CCC(C)Sc1cccnc1F 62a_100000758301_100009816115 [0,1,0,0,0,1|2,0,0]=4 6190 B12R1.371 CCC(C)Sc1cccnc1F 62a_100009816115_100000758301 [0,1,0,0,0,1|2,0,0]=4 6191 B12R1.371 CCC(C)Sc1cccnc1N 62a_100000045569_100000758301 [0,1,0,0,0,1|2,0,0]=4 6192 B12R1.371 CCC(C)Sc1cccnc1N 62a_100000758301_100000045569 [0,1,0,0,0,1|2,0,0]=4 6193 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000758301_100000760158 [0,1,0,0,0,1|1,0,0]=3 6194 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000760158_100000758301 [0,1,0,0,0,1|1,0,0]=3 6195 B12R1.371 CCC(C)Sc1ccncc1Br 62a_100000726257_100000758301 [0,1,0,0,0,1|2,0,0]=4 6196 B12R1.371 CCC(C)Sc1ccncc1Br 62a_100000758301_100000726257 [0,1,0,0,0,1|2,0,0]=4 6197 B12R1.371 CCC(C)Sc1ccncc1C 62a_100000758301_100000765111 [0,1,0,0,0,1|2,0,0]=4 6198 B12R1.371 CCC(C)Sc1ccncc1C 62a_100000765111_100000758301 [0,1,0,0,0,1|2,0,0]=4 6199 B12R1.371 CCC(C)Sc1ccncc1Cl 62a_100000708259_100000758301 [0,1,0,0,0,1|2,0,0]=4 6200 B12R1.371 CCC(C)Sc1ccncc1Cl 62a_100000758301_100000708259 [0,1,0,0,0,1|2,0,0]=4 6201 B12R1.371 CCC(C)Sc1ccncc1F 62a_100000047030_100000758301 [0,1,0,0,0,1|2,0,0]=4 6202 B12R1.371 CCC(C)Sc1ccncc1F 62a_100000758301_100000047030 [0,1,0,0,0,1|2,0,0]=4 6203 B12R1.371 CCC(C)Sc1ccncc1N 62a_100000756074_100000758301 [0,1,0,0,0,1|2,0,0]=4 6204 B12R1.371 CCC(C)Sc1ccncc1N 62a_100000758301_100000756074 [0,1,0,0,0,1|2,0,0]=4 6205 B12R1.371 CCC(C)Sc1ccncc1O 62a_100000758301_100009817591 [0,1,0,0,0,1|1,0,0]=3 6206 B12R1.371 CCC(C)Sc1ccncc1O 62a_100009817591_100000758301 [0,1,0,0,0,1|1,0,0]=3 6207 B12R1.371 CCC(C)Sc1cnccc1Br 62a_100000758301_100010138639 [0,1,0,0,0,1|2,0,0]=4 6208 B12R1.371 CCC(C)Sc1cnccc1Br 62a_100010138639_100000758301 [0,1,0,0,0,1|2,0,0]=4 6209 B12R1.371 CCC(C)Sc1cnccc1C 62a_100000758301_100000761580 [0,1,0,0,0,1|2,0,0]=4 6210 B12R1.371 CCC(C)Sc1cnccc1C 62a_100000761580_100000758301 [0,1,0,0,0,1|2,0,0]=4 6211 B12R1.371 CCC(C)Sc1cnccc1Cl 62a_100000758301_100009995489 [0,1,0,0,0,1|2,0,0]=4 6212 B12R1.371 CCC(C)Sc1cnccc1Cl 62a_100009995489_100000758301 [0,1,0,0,0,1|2,0,0]=4 6213 B12R1.371 CCC(C)Sc1cnccc1F 62a_100000758301_100009820683 [0,1,0,0,0,1|2,0,0]=4 6214 B12R1.371 CCC(C)Sc1cnccc1F 62a_100009820683_100000758301 [0,1,0,0,0,1|2,0,0]=4 6215 B12R1.371 CCC(C)Sc1cnccc1N 62a_100000047001_100000758301 [0,1,0,0,0,1|2,0,0]=4 6216 B12R1.371 CCC(C)Sc1cnccc1N 62a_100000758301_100000047001 [0,1,0,0,0,1|2,0,0]=4 6217 B12R1.371 CCC(C)Sc1cncnc1O 62a_100000751107_100000758301 [0,1,0,0,0,1|2,0,0]=4 6218 B12R1.371 CCC(C)Sc1cncnc1O 62a_100000758301_100000751107 [0,1,0,0,0,1|2,0,0]=4 6219 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000696092_100000758301 [0,1,0,0,0,1|2,0,0]=4 6220 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000758301_100000696092 [0,1,0,0,0,1|2,0,0]=4 6221 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000751373_100000758301 [0,1,0,0,0,1|2,0,0]=4 6222 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000758301_100000751373 [0,1,0,0,0,1|2,0,0]=4 6223 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100000758301_100011356963 [0,1,0,0,0,1|2,0,0]=4 6224 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100011356963_100000758301 [0,1,0,0,0,1|2,0,0]=4 6225 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000685392_100000758301 [0,1,0,0,0,1|2,0,0]=4 6226 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000758301_100000685392 [0,1,0,0,0,1|2,0,0]=4 6227 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000688686_100000758301 [0,1,0,0,0,1|2,0,0]=4 6228 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000758301_100000688686 [0,1,0,0,0,1|2,0,0]=4 6229 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000034122_100000758301 [0,1,0,0,0,1|1,0,0]=3 6230 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000758301_100000034122 [0,1,0,0,0,1|1,0,0]=3 6231 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,1,0,0,0,1|2,0,0]=4 6232 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,1,0,0,0,1|2,0,0]=4 6233 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,1,0,0,0,1|2,0,0]=4 6234 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,1,0,0,0,1|2,0,0]=4 6235 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,1,0,0,0,1|2,0,0]=4 6236 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,1,0,0,0,1|2,0,0]=4 6237 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,1,0,0,0,1|2,0,0]=4 6238 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,1,0,0,0,1|2,0,0]=4 6239 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,1,0,0,0,1|2,0,0]=4 6240 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,1,0,0,0,1|2,0,0]=4 6241 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,1,0,0,0,1|2,0,0]=4 6242 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,1,0,0,0,1|2,0,0]=4 6243 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,1,0,0,0,1|2,0,0]=4 6244 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,1,0,0,0,1|2,0,0]=4 6245 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,1,0,0,0,1|2,0,0]=4 6246 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,1,0,0,0,1|2,0,0]=4 6247 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,1,0,0,0,1|2,0,0]=4 6248 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,1,0,0,0,1|2,0,0]=4 6249 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,1,0,0,0,1|2,0,0]=4 6250 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,1,0,0,0,1|2,0,0]=4 6251 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,1,0,0,0,1|2,0,0]=4 6252 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,1,0,0,0,1|2,0,0]=4 6253 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,1,0,0,0,1|2,0,0]=4 6254 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,1,0,0,0,1|2,0,0]=4 6255 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,1,0,0,0,1|2,0,0]=4 6256 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,1,0,0,0,1|2,0,0]=4 6257 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,1,0,0,0,1|2,0,0]=4 6258 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,1,0,0,0,1|2,0,0]=4 6259 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,1,0,0,0,1|1,0,0]=3 6260 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,1,0,0,0,1|1,0,0]=3 6261 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,1,0,0,0,1|1,0,0]=3 6262 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,1,0,0,0,1|1,0,0]=3 6263 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,1,0,0,0,1|2,0,0]=4 6264 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,1,0,0,0,1|2,0,0]=4 6265 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,1,0,0,0,1|2,0,0]=4 6266 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,1,0,0,0,1|2,0,0]=4 6267 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,1,0,0,0,1|2,0,0]=4 6268 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,1,0,0,0,1|2,0,0]=4 6269 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,1,0,0,0,1|2,0,0]=4 6270 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,1,0,0,0,1|1,0,0]=3 6271 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,1,0,0,0,1|1,0,0]=3 6272 B12R1.371 CN(CF)Cc1ccccc1Br 269982a_100000184654_100015361967 [0,1,0,0,0,1|2,0,0]=4 6273 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,1,0,0,0,1|2,0,0]=4 6274 B12R1.371 CN(CF)Cc1ccccc1F 269982a_100000742528_100015361967 [0,1,0,0,0,1|2,0,0]=4 6275 B12R1.371 CN(CF)Cc1ccccc1F 34a_100000742528_100015361967 [0,1,0,0,0,1|2,0,0]=4 6276 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,1,0,0,0,1|1,0,0]=3 6277 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,1|1,0,1]=4 6278 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,1|1,0,1]=4 6279 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,1|1,0,1]=4 6280 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,1|1,0,1]=4 6281 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,1|1,0,0]=3 6282 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,1|1,0,0]=3 6283 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,1|1,0,0]=3 6284 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,1|1,0,0]=3 6285 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,1,0,0,0,1|2,0,0]=4 6286 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,1|1,0,1]=4 6287 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,0,1|1,0,1]=4 6288 B12R1.371 COC(C)Sc1c[nH]ccc1=O 62a_100009879195_100009998708 [0,1,0,0,0,1|1,0,1]=4 6289 B12R1.371 COC(C)Sc1c[nH]ccc1=O 62a_100009998708_100009879195 [0,1,0,0,0,1|1,0,1]=4 6290 B12R1.371 COC(C)Sc1c[nH]ccc1=S 62a_100009879195_200012280681 [0,1,0,0,0,1|1,1,0]=4 6291 B12R1.371 COC(C)Sc1c[nH]ccc1=S 62a_200012280681_100009879195 [0,1,0,0,0,1|1,1,0]=4 6292 B12R1.371 COC(C)Sc1cccc[n+]1C 62a_100009879195_100000212160 [0,1,0,0,0,1|2,0,0]=4 6293 B12R1.371 COC(C)Sc1cccc[n+]1[O-] 62a_100009879195_200000042595 [0,1,0,0,0,1|1,0,1]=4 6294 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,1,0,0,0,1|1,0,0]=3 6295 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,1,0,0,0,1|1,0,0]=3 6296 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,1|1,0,0]=3 6297 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,1|1,0,0]=3 6298 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,1,0,0,0,1|1,0,0]=3 6299 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,1,0,0,0,1|1,0,0]=3 6300 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,1,0,0,0,1|1,0,0]=3 6301 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,1,0,0,0,1|1,0,0]=3 6302 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,1,0,0,0,1|1,0,0]=3 6303 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,1,0,0,0,1|1,0,0]=3 6304 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,1|0,0,0]=2 6305 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,1|0,0,0]=2 6306 B12R1.371 COC(C)Sc1cccnc1Br 62a_100009879195_100010202626 [0,1,0,0,0,1|2,0,0]=4 6307 B12R1.371 COC(C)Sc1cccnc1Br 62a_100010202626_100009879195 [0,1,0,0,0,1|2,0,0]=4 6308 B12R1.371 COC(C)Sc1cccnc1C 62a_100000751574_100009879195 [0,1,0,0,0,1|2,0,0]=4 6309 B12R1.371 COC(C)Sc1cccnc1C 62a_100009879195_100000751574 [0,1,0,0,0,1|2,0,0]=4 6310 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100000036424_100009879195 [0,1,0,0,0,1|2,0,0]=4 6311 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100009879195_100000036424 [0,1,0,0,0,1|2,0,0]=4 6312 B12R1.371 COC(C)Sc1cccnc1F 62a_100009816115_100009879195 [0,1,0,0,0,1|2,0,0]=4 6313 B12R1.371 COC(C)Sc1cccnc1F 62a_100009879195_100009816115 [0,1,0,0,0,1|2,0,0]=4 6314 B12R1.371 COC(C)Sc1cccnc1N 62a_100000045569_100009879195 [0,1,0,0,0,1|2,0,0]=4 6315 B12R1.371 COC(C)Sc1cccnc1N 62a_100009879195_100000045569 [0,1,0,0,0,1|2,0,0]=4 6316 B12R1.371 COC(C)Sc1cccnc1O 62a_100000760158_100009879195 [0,1,0,0,0,1|1,0,0]=3 6317 B12R1.371 COC(C)Sc1cccnc1O 62a_100009879195_100000760158 [0,1,0,0,0,1|1,0,0]=3 6318 B12R1.371 COC(C)Sc1ccncc1Br 62a_100000726257_100009879195 [0,1,0,0,0,1|2,0,0]=4 6319 B12R1.371 COC(C)Sc1ccncc1Br 62a_100009879195_100000726257 [0,1,0,0,0,1|2,0,0]=4 6320 B12R1.371 COC(C)Sc1ccncc1C 62a_100000765111_100009879195 [0,1,0,0,0,1|2,0,0]=4 6321 B12R1.371 COC(C)Sc1ccncc1C 62a_100009879195_100000765111 [0,1,0,0,0,1|2,0,0]=4 6322 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100000708259_100009879195 [0,1,0,0,0,1|2,0,0]=4 6323 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100009879195_100000708259 [0,1,0,0,0,1|2,0,0]=4 6324 B12R1.371 COC(C)Sc1ccncc1F 62a_100000047030_100009879195 [0,1,0,0,0,1|2,0,0]=4 6325 B12R1.371 COC(C)Sc1ccncc1F 62a_100009879195_100000047030 [0,1,0,0,0,1|2,0,0]=4 6326 B12R1.371 COC(C)Sc1ccncc1N 62a_100000756074_100009879195 [0,1,0,0,0,1|2,0,0]=4 6327 B12R1.371 COC(C)Sc1ccncc1N 62a_100009879195_100000756074 [0,1,0,0,0,1|2,0,0]=4 6328 B12R1.371 COC(C)Sc1ccncc1O 62a_100009817591_100009879195 [0,1,0,0,0,1|1,0,0]=3 6329 B12R1.371 COC(C)Sc1ccncc1O 62a_100009879195_100009817591 [0,1,0,0,0,1|1,0,0]=3 6330 B12R1.371 COC(C)Sc1cnccc1Br 62a_100009879195_100010138639 [0,1,0,0,0,1|2,0,0]=4 6331 B12R1.371 COC(C)Sc1cnccc1Br 62a_100010138639_100009879195 [0,1,0,0,0,1|2,0,0]=4 6332 B12R1.371 COC(C)Sc1cnccc1C 62a_100000761580_100009879195 [0,1,0,0,0,1|2,0,0]=4 6333 B12R1.371 COC(C)Sc1cnccc1C 62a_100009879195_100000761580 [0,1,0,0,0,1|2,0,0]=4 6334 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009879195_100009995489 [0,1,0,0,0,1|2,0,0]=4 6335 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009995489_100009879195 [0,1,0,0,0,1|2,0,0]=4 6336 B12R1.371 COC(C)Sc1cnccc1F 62a_100009820683_100009879195 [0,1,0,0,0,1|2,0,0]=4 6337 B12R1.371 COC(C)Sc1cnccc1F 62a_100009879195_100009820683 [0,1,0,0,0,1|2,0,0]=4 6338 B12R1.371 COC(C)Sc1cnccc1N 62a_100000047001_100009879195 [0,1,0,0,0,1|2,0,0]=4 6339 B12R1.371 COC(C)Sc1cnccc1N 62a_100009879195_100000047001 [0,1,0,0,0,1|2,0,0]=4 6340 B12R1.371 COC(C)Sc1cncnc1O 62a_100000751107_100009879195 [0,1,0,0,0,1|2,0,0]=4 6341 B12R1.371 COC(C)Sc1cncnc1O 62a_100009879195_100000751107 [0,1,0,0,0,1|2,0,0]=4 6342 B12R1.371 COC(C)Sc1ncccc1Br 62a_100000696092_100009879195 [0,1,0,0,0,1|2,0,0]=4 6343 B12R1.371 COC(C)Sc1ncccc1Br 62a_100009879195_100000696092 [0,1,0,0,0,1|2,0,0]=4 6344 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [0,1,0,0,0,1|2,0,0]=4 6345 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [0,1,0,0,0,1|2,0,0]=4 6346 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [0,1,0,0,0,1|2,0,0]=4 6347 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [0,1,0,0,0,1|2,0,0]=4 6348 B12R1.371 COC(C)Sc1ncccc1F 62a_100000685392_100009879195 [0,1,0,0,0,1|2,0,0]=4 6349 B12R1.371 COC(C)Sc1ncccc1F 62a_100009879195_100000685392 [0,1,0,0,0,1|2,0,0]=4 6350 B12R1.371 COC(C)Sc1ncccc1N 62a_100000688686_100009879195 [0,1,0,0,0,1|2,0,0]=4 6351 B12R1.371 COC(C)Sc1ncccc1N 62a_100009879195_100000688686 [0,1,0,0,0,1|2,0,0]=4 6352 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [0,1,0,0,0,1|1,0,0]=3 6353 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [0,1,0,0,0,1|1,0,0]=3 6354 B12R1.371 C[C@H](CF)Nc1ccncc1Br 27a_100102880703_100000726257 [0,1,0,0,0,1|2,0,0]=4 6355 B12R1.371 C[C@H](CF)Nc1ccncc1F 27a_100102880703_100000035921 [0,1,0,0,0,1|2,0,0]=4 6356 B12R1.371 C[C@H](CF)Nc1ncccc1Br 27a_100102880703_100000696092 [0,1,0,0,0,1|2,0,0]=4 6357 B12R1.371 C[C@H](CO)Nc1ccncc1Br 27a_100000737577_100000726257 [0,1,0,0,0,1|2,0,0]=4 6358 B12R1.371 C[C@H](CO)Nc1ccncc1F 27a_100000737577_100000035921 [0,1,0,0,0,1|2,0,0]=4 6359 B12R1.371 C[C@H](CO)Nc1ncccc1Br 27a_100000737577_100000696092 [0,1,0,0,0,1|2,0,0]=4 6360 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100009998708_100016084084 [0,1,0,0,0,1|1,0,1]=4 6361 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100016084084_100009998708 [0,1,0,0,0,1|1,0,1]=4 6362 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_100016084084_200012280681 [0,1,0,0,0,1|1,1,0]=4 6363 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_200012280681_100016084084 [0,1,0,0,0,1|1,1,0]=4 6364 B12R1.371 C[C@H](CO)Sc1cccc[n+]1C 62a_100016084084_100000212160 [0,1,0,0,0,1|2,0,0]=4 6365 B12R1.371 C[C@H](CO)Sc1cccc[n+]1[O-] 62a_100016084084_200000042595 [0,1,0,0,0,1|1,0,1]=4 6366 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,1,0,0,0,1|1,0,0]=3 6367 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,1,0,0,0,1|1,0,0]=3 6368 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,1,0,0,0,1|1,0,0]=3 6369 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,1,0,0,0,1|1,0,0]=3 6370 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,1,0,0,0,1|1,0,0]=3 6371 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,1,0,0,0,1|1,0,0]=3 6372 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,1,0,0,0,1|1,0,0]=3 6373 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,1,0,0,0,1|1,0,0]=3 6374 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,1,0,0,0,1|0,0,0]=2 6375 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,1,0,0,0,1|0,0,0]=2 6376 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100010202626_100016084084 [0,1,0,0,0,1|2,0,0]=4 6377 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100016084084_100010202626 [0,1,0,0,0,1|2,0,0]=4 6378 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100000036424_100016084084 [0,1,0,0,0,1|2,0,0]=4 6379 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100016084084_100000036424 [0,1,0,0,0,1|2,0,0]=4 6380 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100009816115_100016084084 [0,1,0,0,0,1|2,0,0]=4 6381 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100016084084_100009816115 [0,1,0,0,0,1|2,0,0]=4 6382 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100000045569_100016084084 [0,1,0,0,0,1|2,0,0]=4 6383 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100016084084_100000045569 [0,1,0,0,0,1|2,0,0]=4 6384 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100000760158_100016084084 [0,1,0,0,0,1|1,0,0]=3 6385 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100016084084_100000760158 [0,1,0,0,0,1|1,0,0]=3 6386 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100000726257_100016084084 [0,1,0,0,0,1|2,0,0]=4 6387 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100016084084_100000726257 [0,1,0,0,0,1|2,0,0]=4 6388 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100000708259_100016084084 [0,1,0,0,0,1|2,0,0]=4 6389 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100016084084_100000708259 [0,1,0,0,0,1|2,0,0]=4 6390 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100000047030_100016084084 [0,1,0,0,0,1|2,0,0]=4 6391 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100016084084_100000047030 [0,1,0,0,0,1|2,0,0]=4 6392 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100000756074_100016084084 [0,1,0,0,0,1|2,0,0]=4 6393 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100016084084_100000756074 [0,1,0,0,0,1|2,0,0]=4 6394 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100009817591_100016084084 [0,1,0,0,0,1|1,0,0]=3 6395 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100016084084_100009817591 [0,1,0,0,0,1|1,0,0]=3 6396 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100010138639_100016084084 [0,1,0,0,0,1|2,0,0]=4 6397 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100016084084_100010138639 [0,1,0,0,0,1|2,0,0]=4 6398 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100009995489_100016084084 [0,1,0,0,0,1|2,0,0]=4 6399 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100016084084_100009995489 [0,1,0,0,0,1|2,0,0]=4 6400 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100009820683_100016084084 [0,1,0,0,0,1|2,0,0]=4 6401 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100016084084_100009820683 [0,1,0,0,0,1|2,0,0]=4 6402 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100000047001_100016084084 [0,1,0,0,0,1|2,0,0]=4 6403 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100016084084_100000047001 [0,1,0,0,0,1|2,0,0]=4 6404 B12R1.371 C[C@H](CO)Sc1cncnc1O 62a_100000751107_100016084084 [0,1,0,0,0,1|2,0,0]=4 6405 B12R1.371 C[C@H](CO)Sc1cncnc1O 62a_100016084084_100000751107 [0,1,0,0,0,1|2,0,0]=4 6406 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100000696092_100016084084 [0,1,0,0,0,1|2,0,0]=4 6407 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100016084084_100000696092 [0,1,0,0,0,1|2,0,0]=4 6408 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100011356963_100016084084 [0,1,0,0,0,1|2,0,0]=4 6409 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100016084084_100011356963 [0,1,0,0,0,1|2,0,0]=4 6410 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100000685392_100016084084 [0,1,0,0,0,1|2,0,0]=4 6411 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100016084084_100000685392 [0,1,0,0,0,1|2,0,0]=4 6412 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100000688686_100016084084 [0,1,0,0,0,1|2,0,0]=4 6413 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100016084084_100000688686 [0,1,0,0,0,1|2,0,0]=4 6414 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [0,1,0,0,0,1|1,0,0]=3 6415 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [0,1,0,0,0,1|1,0,0]=3 6416 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,1,0,0,0,1|2,0,0]=4 6417 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,1,0,0,0,1|1,0,0]=3 6418 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,1,0,0,0,1|1,0,1]=4 6419 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,1,0,0,0,1|1,0,0]=3 6420 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,1,0,0,0,1|1,0,0]=3 6421 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000210755_100000703298 [0,1,0,0,0,1|1,0,1]=4 6422 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000703298_100000210755 [0,1,0,0,0,1|1,0,1]=4 6423 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,1,0,0,0,1|1,0,0]=3 6424 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,1,0,0,0,1|1,0,0]=3 6425 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,1,0,0,0,1|1,0,0]=3 6426 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [0,1,0,0,0,1|2,0,0]=4 6427 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [0,1,0,0,0,1|2,0,0]=4 6428 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [0,1,0,0,0,1|2,0,0]=4 6429 B12R1.371 Cc1ccncc1OC(C)CO 34a_100011997053_100012180447 [0,1,0,0,0,1|2,0,0]=4 6430 B12R1.371 Cc1ccncc1OC(C)CO 7a_100011997053_100012180447 [0,1,0,0,0,1|2,0,0]=4 6431 B12R1.371 Cc1ccncc1SC(C)CO 62a_100012180447_100000761580 [0,1,0,0,0,1|2,0,0]=4 6432 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100000761580_100016084084 [0,1,0,0,0,1|2,0,0]=4 6433 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100016084084_100000761580 [0,1,0,0,0,1|2,0,0]=4 6434 B12R1.371 Cc1cnccc1N[C@H](C)CF 27a_100102880703_100000765111 [0,1,0,0,0,1|2,0,0]=4 6435 B12R1.371 Cc1cnccc1N[C@H](C)CO 27a_100000737577_100000765111 [0,1,0,0,0,1|2,0,0]=4 6436 B12R1.371 Cc1cnccc1OC(C)CO 34a_100000694293_100012180447 [0,1,0,0,0,1|2,0,0]=4 6437 B12R1.371 Cc1cnccc1SC(C)CO 62a_100012180447_100000765111 [0,1,0,0,0,1|2,0,0]=4 6438 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100000765111_100016084084 [0,1,0,0,0,1|2,0,0]=4 6439 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100016084084_100000765111 [0,1,0,0,0,1|2,0,0]=4 6440 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [0,1,0,0,0,1|2,0,0]=4 6441 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [0,1,0,0,0,1|2,0,0]=4 6442 B12R1.371 Cc1ncccc1SC(C)CO 62a_100012180447_100000751574 [0,1,0,0,0,1|2,0,0]=4 6443 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100000751574_100016084084 [0,1,0,0,0,1|2,0,0]=4 6444 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100016084084_100000751574 [0,1,0,0,0,1|2,0,0]=4 6445 B12R1.371 N#CC(F)Sc1ccccc1O 62a_100000739446_200000117898 [0,1,0,0,0,1|1,0,1]=4 6446 B12R1.371 N#CC(F)Sc1ccccc1O 62a_200000117898_100000739446 [0,1,0,0,0,1|1,0,1]=4 6447 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,1|1,0,1]=4 6448 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,1|1,0,1]=4 6449 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,1|1,0,1]=4 6450 B12R1.1009 CC(=Cc1c(cccc1Br)Br)C 271570a_100102525489_100009994525 [0,1,0,0,0,1|1,0,1]=4 6451 B12R1.1009 CC(=Cc1c(cccc1Br)Cl)C 271570a_100102525489_100010214488 [0,1,0,0,0,1|1,0,1]=4 6452 B12R1.1009 CC(=Cc1c(cccc1Br)F)C 271570a_100102525489_100011219512 [0,1,0,0,0,1|1,0,1]=4 6453 B12R1.1009 CC(=Cc1c(cccc1Br)N)C 271570a_100102525489_100020590159 [0,1,0,0,0,1|1,0,1]=4 6454 B12R1.1009 CC(=Cc1c(cccc1Br)O)C 271570a_100102525489_100010187912 [0,1,0,0,0,1|0,0,1]=3 6455 B12R1.1009 CC(=Cc1c(cccc1C)C)C 271570a_100102525489_100000033847 [0,1,0,0,0,1|1,0,1]=4 6456 B12R1.1009 CC(=Cc1c(cccc1Cl)C)C 271570a_100102525489_100000043165 [0,1,0,0,0,1|1,0,1]=4 6457 B12R1.1009 CC(=Cc1c(cccc1Cl)Cl)C 271570a_100102525489_100000034237 [0,1,0,0,0,1|1,0,1]=4 6458 B12R1.1009 CC(=Cc1c(cccc1Cl)F)C 271570a_100102525489_100000050007 [0,1,0,0,0,1|1,0,1]=4 6459 B12R1.1009 CC(=Cc1c(cccc1Cl)N)C 271570a_100102525489_100000049713 [0,1,0,0,0,1|1,0,1]=4 6460 B12R1.1009 CC(=Cc1c(cccc1Cl)O)C 271570a_100102525489_100000050174 [0,1,0,0,0,1|0,0,1]=3 6461 B12R1.1009 CC(=Cc1c(cccc1F)C)C 271570a_100102525489_100012349962 [0,1,0,0,0,1|1,0,1]=4 6462 B12R1.1009 CC(=Cc1c(cccc1F)F)C 271570a_100102525489_100000693133 [0,1,0,0,0,1|1,0,1]=4 6463 B12R1.1009 CC(=Cc1c(cccc1F)N)C 271570a_100102525489_100011934729 [0,1,0,0,0,1|1,0,1]=4 6464 B12R1.1009 CC(=Cc1c(cccc1F)O)C 271570a_100102525489_100009820682 [0,1,0,0,0,1|0,0,1]=3 6465 B12R1.1009 CC(=Cc1c(cccc1N)C)C 271570a_100102525489_100000684715 [0,1,0,0,0,1|1,0,1]=4 6466 B12R1.1009 CC(=Cc1c(cccc1O)C)C 271570a_100102525489_100000686692 [0,1,0,0,0,1|0,0,1]=3 6467 B12R1.1009 CC(=Cc1c(cccc1O)N)C 271570a_100102525489_100012183704 [0,1,0,0,0,1|0,0,1]=3 6468 B12R1.1009 CC(=Cc1c(cccc1O)O)C 271570a_100102525489_100010205330 [0,1,0,0,0,1|0,0,1]=3 6469 B12R1.1009 CC(=Cc1c(ccnc1O)C)C 271570a_100102525489_100012000493 [0,1,0,0,0,1|1,0,1]=4 6470 B12R1.1009 CC(=Cc1c(ccnc1O)O)C 271570a_100102525489_200009817435 [0,1,0,0,0,1|1,0,1]=4 6471 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [0,1,0,0,0,1|1,0,1]=4 6472 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [0,1,0,0,0,1|1,0,1]=4 6473 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [0,1,0,0,0,1|1,0,1]=4 6474 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [0,1,0,0,0,1|1,0,1]=4 6475 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [0,1,0,0,0,1|1,0,1]=4 6476 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [0,1,0,0,0,1|1,0,1]=4 6477 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [0,1,0,0,0,1|1,0,1]=4 6478 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,1,0,0,0,1|1,0,1]=4 6479 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,1,0,0,0,1|1,0,1]=4 6480 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [0,1,0,0,0,1|1,0,1]=4 6481 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [0,1,0,0,0,1|1,0,1]=4 6482 B12R1.1009 CC(C)Nc1c(cccc1Br)Br 34a_100000690995_100000210206 [0,1,0,0,0,1|1,0,0]=3 6483 B12R1.1009 CC(C)Nc1c(cccc1Br)Cl 34a_100102946385_100000210206 [0,1,0,0,0,1|1,0,0]=3 6484 B12R1.1009 CC(C)Nc1c(cccc1Br)F 34a_100000684712_100000210206 [0,1,0,0,0,1|1,0,0]=3 6485 B12R1.1009 CC(C)Nc1c(cccc1Br)O 34a_100011934926_100000210206 [0,1,0,0,0,1|0,0,0]=2 6486 B12R1.1009 CC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000210206 [0,1,0,0,0,1|1,0,0]=3 6487 B12R1.1009 CC(C)Nc1c(cccc1Cl)F 34a_100000760031_100000210206 [0,1,0,0,0,1|1,0,0]=3 6488 B12R1.1009 CC(C)Nc1c(cccc1Cl)O 34a_100012022510_100000210206 [0,1,0,0,0,1|0,0,0]=2 6489 B12R1.1009 CC(C)Nc1c(cccc1F)F 2230a_100000210704_100000210206 [0,1,0,0,0,1|1,0,0]=3 6490 B12R1.1009 CC(C)Nc1c(cccc1F)F 34a_100000210704_100000210206 [0,1,0,0,0,1|1,0,0]=3 6491 B12R1.1009 CC(C)Nc1c(cccc1F)O 34a_100020591140_100000210206 [0,1,0,0,0,1|0,0,0]=2 6492 B12R1.1009 CC(C)Nc1c(cccc1I)F 34a_100000042321_100000210206 [0,1,0,0,0,1|1,0,0]=3 6493 B12R1.1009 CC(C)Nc1c(ccnc1F)F 27a_100138425928_100009874084 [0,1,0,0,0,1|2,0,0]=4 6494 B12R1.1009 CC(C)Oc1c(cccc1Br)Br 34a_100000736428_100000210206 [0,1,0,0,0,1|1,0,0]=3 6495 B12R1.1009 CC(C)Oc1c(cccc1Br)Br 7a_100000736428_100000210206 [0,1,0,0,0,1|1,0,0]=3 6496 B12R1.1009 CC(C)Oc1c(cccc1Br)Cl 34a_100010214474_100000210206 [0,1,0,0,0,1|1,0,0]=3 6497 B12R1.1009 CC(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000210206 [0,1,0,0,0,1|1,0,0]=3 6498 B12R1.1009 CC(C)Oc1c(cccc1Br)F 34a_100009813666_100000210206 [0,1,0,0,0,1|1,0,0]=3 6499 B12R1.1009 CC(C)Oc1c(cccc1Br)F 7a_100009813666_100000210206 [0,1,0,0,0,1|1,0,0]=3 6500 B12R1.1009 CC(C)Oc1c(cccc1Br)N 34a_100011934915_100000210206 [0,1,0,0,0,1|1,0,0]=3 6501 B12R1.1009 CC(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100000210206 [0,1,0,0,0,1|1,0,0]=3 6502 B12R1.1009 CC(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000210206 [0,1,0,0,0,1|1,0,0]=3 6503 B12R1.1009 CC(C)Oc1c(cccc1Cl)F 34a_100000694953_100000210206 [0,1,0,0,0,1|1,0,0]=3 6504 B12R1.1009 CC(C)Oc1c(cccc1Cl)F 7a_100000694953_100000210206 [0,1,0,0,0,1|1,0,0]=3 6505 B12R1.1009 CC(C)Oc1c(cccc1Cl)N 34a_100000754742_100000210206 [0,1,0,0,0,1|1,0,0]=3 6506 B12R1.1009 CC(C)Oc1c(cccc1F)F 34a_100000230165_100000210206 [0,1,0,0,0,1|1,0,0]=3 6507 B12R1.1009 CC(C)Oc1c(cccc1F)F 7a_100000230165_100000210206 [0,1,0,0,0,1|1,0,0]=3 6508 B12R1.1009 CC(C)Oc1c(cccc1F)N 34a_100011934987_100000210206 [0,1,0,0,0,1|1,0,0]=3 6509 B12R1.1009 CC(C)Oc1c(cccc1F)O 271570a_203496583355_200010078528 [0,1,0,0,0,1|0,0,0]=2 6510 B12R1.1009 CC(C)Oc1c(cccc1I)Br 34a_100010084509_100000210206 [0,1,0,0,0,1|1,0,0]=3 6511 B12R1.1009 CC(C)Oc1c(cccc1I)Br 7a_100010084509_100000210206 [0,1,0,0,0,1|1,0,0]=3 6512 B12R1.1009 CC(C)Oc1c(cccc1I)Cl 34a_100010202889_100000210206 [0,1,0,0,0,1|1,0,0]=3 6513 B12R1.1009 CC(C)Oc1c(cccc1I)Cl 7a_100010202889_100000210206 [0,1,0,0,0,1|1,0,0]=3 6514 B12R1.1009 CC(C)Oc1c(cccc1I)F 34a_100010186298_100000210206 [0,1,0,0,0,1|1,0,0]=3 6515 B12R1.1009 CC(C)Oc1c(cccc1I)F 7a_100010186298_100000210206 [0,1,0,0,0,1|1,0,0]=3 6516 B12R1.1009 CC(C)Oc1c(cccc1I)N 34a_100010084371_100000210206 [0,1,0,0,0,1|1,0,0]=3 6517 B12R1.1009 CC(C)Oc1c(cccc1N)N 34a_200016994477_100000210206 [0,1,0,0,0,1|1,0,0]=3 6518 B12R1.1009 CC(C)Oc1c(ccnc1Cl)Cl 34a_100000118450_100000210206 [0,1,0,0,0,1|2,0,0]=4 6519 B12R1.1009 CC(C)Oc1c(ccnc1Cl)Cl 7a_100000118450_100000210206 [0,1,0,0,0,1|2,0,0]=4 6520 B12R1.1009 CC(C)Oc1c(ccnc1Cl)F 34a_100009867227_100000210206 [0,1,0,0,0,1|2,0,0]=4 6521 B12R1.1009 CC(C)Oc1c(ccnc1Cl)F 7a_100009867227_100000210206 [0,1,0,0,0,1|2,0,0]=4 6522 B12R1.1009 CC(C)Oc1c(ccnc1Cl)I 34a_100010067911_100000210206 [0,1,0,0,0,1|2,0,0]=4 6523 B12R1.1009 CC(C)Oc1c(ccnc1Cl)I 7a_100010067911_100000210206 [0,1,0,0,0,1|2,0,0]=4 6524 B12R1.1009 CC(C)Oc1c(ccnc1Cl)N 34a_100009844647_100000210206 [0,1,0,0,0,1|2,0,0]=4 6525 B12R1.1009 CC(C)Oc1c(ccnc1Cl)N 7a_100009844647_100000210206 [0,1,0,0,0,1|2,0,0]=4 6526 B12R1.1009 CC(C)Sc1c(cccc1Br)Br 62a_100000210206_100009994525 [0,1,0,0,0,1|1,0,0]=3 6527 B12R1.1009 CC(C)Sc1c(cccc1Br)Br 62a_100009994525_100000210206 [0,1,0,0,0,1|1,0,0]=3 6528 B12R1.1009 CC(C)Sc1c(cccc1Br)Cl 62a_100000210206_100010214488 [0,1,0,0,0,1|1,0,0]=3 6529 B12R1.1009 CC(C)Sc1c(cccc1Br)Cl 62a_100010214488_100000210206 [0,1,0,0,0,1|1,0,0]=3 6530 B12R1.1009 CC(C)Sc1c(cccc1Br)F 62a_100000210206_100011219512 [0,1,0,0,0,1|1,0,0]=3 6531 B12R1.1009 CC(C)Sc1c(cccc1Br)F 62a_100011219512_100000210206 [0,1,0,0,0,1|1,0,0]=3 6532 B12R1.1009 CC(C)Sc1c(cccc1Br)N 62a_100000210206_100020590159 [0,1,0,0,0,1|1,0,0]=3 6533 B12R1.1009 CC(C)Sc1c(cccc1Br)N 62a_100020590159_100000210206 [0,1,0,0,0,1|1,0,0]=3 6534 B12R1.1009 CC(C)Sc1c(cccc1Br)O 62a_100000210206_100010187912 [0,1,0,0,0,1|0,0,0]=2 6535 B12R1.1009 CC(C)Sc1c(cccc1Br)O 62a_100010187912_100000210206 [0,1,0,0,0,1|0,0,0]=2 6536 B12R1.1009 CC(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000210206 [0,1,0,0,0,1|1,0,0]=3 6537 B12R1.1009 CC(C)Sc1c(cccc1Cl)Cl 62a_100000210206_100000034237 [0,1,0,0,0,1|1,0,0]=3 6538 B12R1.1009 CC(C)Sc1c(cccc1Cl)F 62a_100000050007_100000210206 [0,1,0,0,0,1|1,0,0]=3 6539 B12R1.1009 CC(C)Sc1c(cccc1Cl)F 62a_100000210206_100000050007 [0,1,0,0,0,1|1,0,0]=3 6540 B12R1.1009 CC(C)Sc1c(cccc1Cl)N 62a_100000049713_100000210206 [0,1,0,0,0,1|1,0,0]=3 6541 B12R1.1009 CC(C)Sc1c(cccc1Cl)N 62a_100000210206_100000049713 [0,1,0,0,0,1|1,0,0]=3 6542 B12R1.1009 CC(C)Sc1c(cccc1Cl)O 62a_100000210206_100000050174 [0,1,0,0,0,1|0,0,0]=2 6543 B12R1.1009 CC(C)Sc1c(cccc1F)F 62a_100000210206_100000693133 [0,1,0,0,0,1|1,0,0]=3 6544 B12R1.1009 CC(C)Sc1c(cccc1F)F 62a_100000693133_100000210206 [0,1,0,0,0,1|1,0,0]=3 6545 B12R1.1009 CC(C)Sc1c(cccc1F)N 62a_100000210206_100000690935 [0,1,0,0,0,1|1,0,0]=3 6546 B12R1.1009 CC(C)Sc1c(cccc1F)N 62a_100000690935_100000210206 [0,1,0,0,0,1|1,0,0]=3 6547 B12R1.1009 CC(C)Sc1c(cccc1F)O 62a_100000210206_100009820682 [0,1,0,0,0,1|0,0,0]=2 6548 B12R1.1009 CC(C)Sc1c(cccc1F)O 62a_100009820682_100000210206 [0,1,0,0,0,1|0,0,0]=2 6549 B12R1.1009 CC(C)Sc1c(cccc1O)N 62a_100000210206_100012183704 [0,1,0,0,0,1|0,0,0]=2 6550 B12R1.1009 CC(C)Sc1c(cccc1O)N 62a_100012183704_100000210206 [0,1,0,0,0,1|0,0,0]=2 6551 B12R1.1009 CC(C)Sc1c(cccc1O)O 62a_100000210206_100010205330 [0,1,0,0,0,1|0,0,0]=2 6552 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Br 62a_100000210206_100009814607 [0,1,0,0,0,1|2,0,0]=4 6553 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Br 62a_100009814607_100000210206 [0,1,0,0,0,1|2,0,0]=4 6554 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Cl 62a_100000050019_100000210206 [0,1,0,0,0,1|2,0,0]=4 6555 B12R1.1009 CC(C)Sc1c(ccnc1Cl)Cl 62a_100000210206_100000050019 [0,1,0,0,0,1|2,0,0]=4 6556 B12R1.1009 CC(C)Sc1c(ccnc1Cl)F 62a_100000210206_100000716511 [0,1,0,0,0,1|2,0,0]=4 6557 B12R1.1009 CC(C)Sc1c(ccnc1Cl)F 62a_100000716511_100000210206 [0,1,0,0,0,1|2,0,0]=4 6558 B12R1.1009 CC(C)Sc1c(ccnc1Cl)N 62a_100000210206_100010208016 [0,1,0,0,0,1|2,0,0]=4 6559 B12R1.1009 CC(C)Sc1c(ccnc1Cl)N 62a_100010208016_100000210206 [0,1,0,0,0,1|2,0,0]=4 6560 B12R1.1009 CC(C)Sc1c(ccnc1F)F 62a_100000210206_100009874084 [0,1,0,0,0,1|2,0,0]=4 6561 B12R1.1009 CC(C)Sc1c(ccnc1F)F 62a_100009874084_100000210206 [0,1,0,0,0,1|2,0,0]=4 6562 B12R1.1009 CC(C)Sc1c(ccnc1F)N 62a_100000210206_100010381272 [0,1,0,0,0,1|2,0,0]=4 6563 B12R1.1009 CC(C)Sc1c(ccnc1F)N 62a_100010381272_100000210206 [0,1,0,0,0,1|2,0,0]=4 6564 B12R1.1009 CC(C)Sc1c(ccnc1N)Cl 62a_100000210206_100010199028 [0,1,0,0,0,1|2,0,0]=4 6565 B12R1.1009 CC(C)Sc1c(ccnc1N)Cl 62a_100010199028_100000210206 [0,1,0,0,0,1|2,0,0]=4 6566 B12R1.1009 CC(C)Sc1c(ccnc1O)O 62a_100000210206_200009817435 [0,1,0,0,0,1|1,0,0]=3 6567 B12R1.1009 CC(C)Sc1c(cn[nH]c1=O)O 62a_100000210206_100000116976 [0,1,0,0,0,1|2,0,0]=4 6568 B12R1.1009 CC(C)Sc1c(cncc1Br)Br 62a_100000210206_100010172828 [0,1,0,0,0,1|2,0,0]=4 6569 B12R1.1009 CC(C)Sc1c(cncc1Br)Br 62a_100010172828_100000210206 [0,1,0,0,0,1|2,0,0]=4 6570 B12R1.1009 CC(C)Sc1c(cncc1Cl)Cl 62a_100000036193_100000210206 [0,1,0,0,0,1|2,0,0]=4 6571 B12R1.1009 CC(C)Sc1c(cncc1Cl)Cl 62a_100000210206_100000036193 [0,1,0,0,0,1|2,0,0]=4 6572 B12R1.1009 CC(C)Sc1c(cncc1F)F 62a_100000210206_100000760538 [0,1,0,0,0,1|2,0,0]=4 6573 B12R1.1009 CC(C)Sc1c(cncc1F)F 62a_100000760538_100000210206 [0,1,0,0,0,1|2,0,0]=4 6574 B12R1.1009 CC(C)Sc1c(ncnc1O)O 62a_100000210206_100000006518 [0,1,0,0,0,1|2,0,0]=4 6575 B12R1.1009 CN(C)Cc1c(cccc1Br)Br 270004a_100102631434_100010233043 [0,1,0,0,0,1|2,0,0]=4 6576 B12R1.1009 CN(C)Cc1c(cccc1Br)Cl 2230a_100102631434_100010138402 [0,1,0,0,0,1|2,0,0]=4 6577 B12R1.1009 CN(C)Cc1c(cccc1Br)Cl 269982a_100102631434_100010138402 [0,1,0,0,0,1|2,0,0]=4 6578 B12R1.1009 CN(C)Cc1c(cccc1Br)Cl 270004a_100102631434_100011249081 [0,1,0,0,0,1|2,0,0]=4 6579 B12R1.1009 CN(C)Cc1c(cccc1Br)F 2230a_100102631434_100012145669 [0,1,0,0,0,1|2,0,0]=4 6580 B12R1.1009 CN(C)Cc1c(cccc1Br)F 2230a_106744473292_200000210301 [0,1,0,0,0,1|2,0,0]=4 6581 B12R1.1009 CN(C)Cc1c(cccc1Br)F 269982a_100102631434_100012145669 [0,1,0,0,0,1|2,0,0]=4 6582 B12R1.1009 CN(C)Cc1c(cccc1Br)F 269982a_106744473292_200000210301 [0,1,0,0,0,1|2,0,0]=4 6583 B12R1.1009 CN(C)Cc1c(cccc1Br)F 270004a_100102631434_100000752695 [0,1,0,0,0,1|2,0,0]=4 6584 B12R1.1009 CN(C)Cc1c(cccc1Br)F 34a_106744473292_200000210301 [0,1,0,0,0,1|2,0,0]=4 6585 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 2230a_100000186903_200000210301 [0,1,0,0,0,1|2,0,0]=4 6586 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 2230a_100102631434_100000187851 [0,1,0,0,0,1|2,0,0]=4 6587 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 269982a_100000186903_200000210301 [0,1,0,0,0,1|2,0,0]=4 6588 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 269982a_100102631434_100000211241 [0,1,0,0,0,1|2,0,0]=4 6589 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 270004a_100102631434_100000189306 [0,1,0,0,0,1|2,0,0]=4 6590 B12R1.1009 CN(C)Cc1c(cccc1Cl)Cl 34a_100000186903_200000210301 [0,1,0,0,0,1|2,0,0]=4 6591 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 2230a_100000184537_200000210301 [0,1,0,0,0,1|2,0,0]=4 6592 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 2230a_100102631434_100000187852 [0,1,0,0,0,1|2,0,0]=4 6593 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 269982a_100000184537_200000210301 [0,1,0,0,0,1|2,0,0]=4 6594 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 269982a_100102631434_100000187852 [0,1,0,0,0,1|2,0,0]=4 6595 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 270004a_100102631434_100000210083 [0,1,0,0,0,1|2,0,0]=4 6596 B12R1.1009 CN(C)Cc1c(cccc1Cl)F 34a_100000184537_200000210301 [0,1,0,0,0,1|2,0,0]=4 6597 B12R1.1009 CN(C)Cc1c(cccc1F)F 2230a_100102631434_100000698325 [0,1,0,0,0,1|2,0,0]=4 6598 B12R1.1009 CN(C)Cc1c(cccc1F)F 269982a_100102631434_100000709179 [0,1,0,0,0,1|2,0,0]=4 6599 B12R1.1009 CN(C)Cc1c(cccc1F)F 270004a_100102631434_100000211061 [0,1,0,0,0,1|2,0,0]=4 6600 B12R1.1009 CN(C)Cc1c(cccc1I)Br 2230a_100102631434_100010146611 [0,1,0,0,0,1|2,0,0]=4 6601 B12R1.1009 CN(C)Cc1c(cccc1I)Br 269982a_100102631434_100010146611 [0,1,0,0,0,1|2,0,0]=4 6602 B12R1.1009 CN(C)Cc1c(cccc1I)Cl 270004a_100102631434_100010147682 [0,1,0,0,0,1|2,0,0]=4 6603 B12R1.1009 CN(C)Cc1c(cccc1I)F 2230a_100102631434_100010149602 [0,1,0,0,0,1|2,0,0]=4 6604 B12R1.1009 CN(C)Cc1c(cccc1I)F 269982a_100102631434_100010149602 [0,1,0,0,0,1|2,0,0]=4 6605 B12R1.1009 CN(C)Cc1c(cccc1I)F 270004a_100102631434_100010178011 [0,1,0,0,0,1|2,0,0]=4 6606 B12R1.1009 CN([13CH3])Cc1c(cccc1Br)F 2230a_106744473292_200025704644 [0,1,0,0,0,1|2,0,0]=4 6607 B12R1.1009 CN([13CH3])Cc1c(cccc1Br)F 269982a_106744473292_200025704644 [0,1,0,0,0,1|2,0,0]=4 6608 B12R1.1009 CN([13CH3])Cc1c(cccc1Br)F 34a_106744473292_200025704644 [0,1,0,0,0,1|2,0,0]=4 6609 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)Cl 2230a_100000186903_200025704644 [0,1,0,0,0,1|2,0,0]=4 6610 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)Cl 269982a_100000186903_200025704644 [0,1,0,0,0,1|2,0,0]=4 6611 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)Cl 34a_100000186903_200025704644 [0,1,0,0,0,1|2,0,0]=4 6612 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)F 2230a_100000184537_200025704644 [0,1,0,0,0,1|2,0,0]=4 6613 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)F 269982a_100000184537_200025704644 [0,1,0,0,0,1|2,0,0]=4 6614 B12R1.1009 CN([13CH3])Cc1c(cccc1Cl)F 34a_100000184537_200025704644 [0,1,0,0,0,1|2,0,0]=4 6615 B12R1.1009 Cc1ccc[n+](c1SC(C)C)[O-] 62a_100000210206_100116209805 [0,1,0,0,0,1|1,0,1]=4 6616 B12R1.1009 Cc1cccc(c1CN(C)C)Br 2230a_100102631434_100010146847 [0,1,0,0,0,1|2,0,0]=4 6617 B12R1.1009 Cc1cccc(c1CN(C)C)Br 269982a_100102631434_100010146847 [0,1,0,0,0,1|2,0,0]=4 6618 B12R1.1009 Cc1cccc(c1CN(C)C)Br 270004a_100102631434_100009881667 [0,1,0,0,0,1|2,0,0]=4 6619 B12R1.1009 Cc1cccc(c1CN(C)C)C 2230a_100102631434_100000758300 [0,1,0,0,0,1|2,0,0]=4 6620 B12R1.1009 Cc1cccc(c1CN(C)C)C 269982a_100102631434_100000758300 [0,1,0,0,0,1|2,0,0]=4 6621 B12R1.1009 Cc1cccc(c1CN(C)C)C 270004a_100102631434_100000758299 [0,1,0,0,0,1|2,0,0]=4 6622 B12R1.1009 Cc1cccc(c1CN(C)C)Cl 270004a_100102631434_100000041122 [0,1,0,0,0,1|2,0,0]=4 6623 B12R1.1009 Cc1cccc(c1CN(C)C)F 2230a_100102631434_100009814554 [0,1,0,0,0,1|2,0,0]=4 6624 B12R1.1009 Cc1cccc(c1CN(C)C)F 269982a_100102631434_100009814554 [0,1,0,0,0,1|2,0,0]=4 6625 B12R1.1009 Cc1cccc(c1CN(C)C)F 270004a_100102631434_100000069827 [0,1,0,0,0,1|2,0,0]=4 6626 B12R1.1009 Cc1cccc(c1CN(C)C)I 2230a_100102631434_100010150146 [0,1,0,0,0,1|2,0,0]=4 6627 B12R1.1009 Cc1cccc(c1CN(C)C)I 269982a_100102631434_100010150146 [0,1,0,0,0,1|2,0,0]=4 6628 B12R1.1009 Cc1cccc(c1NC(C)C)Br 34a_100011834072_100000210206 [0,1,0,0,0,1|1,0,0]=3 6629 B12R1.1009 Cc1cccc(c1NC(C)C)C 34a_100000185769_100000210206 [0,1,0,0,0,1|1,0,0]=3 6630 B12R1.1009 Cc1cccc(c1NC(C)C)Cl 34a_100000756524_100000210206 [0,1,0,0,0,1|1,0,0]=3 6631 B12R1.1009 Cc1cccc(c1NC(C)C)F 34a_100000766463_100000210206 [0,1,0,0,0,1|1,0,0]=3 6632 B12R1.1009 Cc1cccc(c1NC(C)C)O 34a_100000743429_100000210206 [0,1,0,0,0,1|0,0,0]=2 6633 B12R1.1009 Cc1cccc(c1OC(C)C)Br 34a_100009817157_100000210206 [0,1,0,0,0,1|1,0,0]=3 6634 B12R1.1009 Cc1cccc(c1OC(C)C)Br 7a_100009817157_100000210206 [0,1,0,0,0,1|1,0,0]=3 6635 B12R1.1009 Cc1cccc(c1OC(C)C)C 34a_100000210341_100000210206 [0,1,0,0,0,1|1,0,0]=3 6636 B12R1.1009 Cc1cccc(c1OC(C)C)C 7a_100000210341_100000210206 [0,1,0,0,0,1|1,0,0]=3 6637 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 34a_100000033731_100000210206 [0,1,0,0,0,1|1,0,0]=3 6638 B12R1.1009 Cc1cccc(c1OC(C)C)Cl 7a_100000033731_100000210206 [0,1,0,0,0,1|1,0,0]=3 6639 B12R1.1009 Cc1cccc(c1OC(C)C)F 34a_100011659162_100000210206 [0,1,0,0,0,1|1,0,0]=3 6640 B12R1.1009 Cc1cccc(c1OC(C)C)F 7a_100011659162_100000210206 [0,1,0,0,0,1|1,0,0]=3 6641 B12R1.1009 Cc1cccc(c1OC(C)C)N 34a_100000756359_100000210206 [0,1,0,0,0,1|1,0,0]=3 6642 B12R1.1009 Cc1cccc(c1OC(C)C)N 7a_100000756359_100000210206 [0,1,0,0,0,1|1,0,0]=3 6643 B12R1.1009 Cc1cccc(c1OC(F)F)O 271570a_203496583355_100010232499 [0,1,0,0,0,1|2,0,0]=4 6644 B12R1.1009 Cc1cccc(c1SC(C)C)Br 62a_100000210206_100010141302 [0,1,0,0,0,1|1,0,0]=3 6645 B12R1.1009 Cc1cccc(c1SC(C)C)Br 62a_100010141302_100000210206 [0,1,0,0,0,1|1,0,0]=3 6646 B12R1.1009 Cc1cccc(c1SC(C)C)C 62a_100000033847_100000210206 [0,1,0,0,0,1|1,0,0]=3 6647 B12R1.1009 Cc1cccc(c1SC(C)C)C 62a_100000210206_100000033847 [0,1,0,0,0,1|1,0,0]=3 6648 B12R1.1009 Cc1cccc(c1SC(C)C)Cl 62a_100000043165_100000210206 [0,1,0,0,0,1|1,0,0]=3 6649 B12R1.1009 Cc1cccc(c1SC(C)C)Cl 62a_100000210206_100000043165 [0,1,0,0,0,1|1,0,0]=3 6650 B12R1.1009 Cc1cccc(c1SC(C)C)F 62a_100000210206_100011218421 [0,1,0,0,0,1|1,0,0]=3 6651 B12R1.1009 Cc1cccc(c1SC(C)C)F 62a_100011218421_100000210206 [0,1,0,0,0,1|1,0,0]=3 6652 B12R1.1009 Cc1cccc(c1SC(C)C)N 62a_100000210206_100000684715 [0,1,0,0,0,1|1,0,0]=3 6653 B12R1.1009 Cc1cccc(c1SC(C)C)N 62a_100000684715_100000210206 [0,1,0,0,0,1|1,0,0]=3 6654 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000210206_100000686692 [0,1,0,0,0,1|0,0,0]=2 6655 B12R1.1009 Cc1cccc(c1SC(C)C)O 62a_100000686692_100000210206 [0,1,0,0,0,1|0,0,0]=2 6656 B12R1.1009 Cc1ccnc(c1NC(C)C)F 27a_100138425928_100009818256 [0,1,0,0,0,1|2,0,0]=4 6657 B12R1.1009 Cc1ccnc(c1OC(C)C)C 34a_100011934651_100000210206 [0,1,0,0,0,1|2,0,0]=4 6658 B12R1.1009 Cc1ccnc(c1OC(C)C)C 7a_100011934651_100000210206 [0,1,0,0,0,1|2,0,0]=4 6659 B12R1.1009 Cc1ccnc(c1OC(C)C)Cl 34a_100000696282_100000210206 [0,1,0,0,0,1|2,0,0]=4 6660 B12R1.1009 Cc1ccnc(c1OC(C)C)Cl 7a_100000696282_100000210206 [0,1,0,0,0,1|2,0,0]=4 6661 B12R1.1009 Cc1ccnc(c1SC(C)C)C 62a_100000210206_100012000501 [0,1,0,0,0,1|2,0,0]=4 6662 B12R1.1009 Cc1ccnc(c1SC(C)C)C 62a_100012000501_100000210206 [0,1,0,0,0,1|2,0,0]=4 6663 B12R1.1009 Cc1ccnc(c1SC(C)C)Cl 62a_100000210206_100010248874 [0,1,0,0,0,1|2,0,0]=4 6664 B12R1.1009 Cc1ccnc(c1SC(C)C)Cl 62a_100010248874_100000210206 [0,1,0,0,0,1|2,0,0]=4 6665 B12R1.1009 Cc1ccnc(c1SC(C)C)F 62a_100000210206_100009818256 [0,1,0,0,0,1|2,0,0]=4 6666 B12R1.1009 Cc1ccnc(c1SC(C)C)F 62a_100009818256_100000210206 [0,1,0,0,0,1|2,0,0]=4 6667 B12R1.1009 Cc1ccnc(c1SC(C)C)N 62a_100000210206_100011998619 [0,1,0,0,0,1|2,0,0]=4 6668 B12R1.1009 Cc1ccnc(c1SC(C)C)N 62a_100011998619_100000210206 [0,1,0,0,0,1|2,0,0]=4 6669 B12R1.1009 Cc1ccnc(c1SC(C)C)O 62a_100000210206_100012000493 [0,1,0,0,0,1|1,0,0]=3 6670 B12R1.1009 Cc1ccnc(c1SC(C)C)O 62a_100012000493_100000210206 [0,1,0,0,0,1|1,0,0]=3 6671 B12R1.1009 Cc1cncc(c1SC(C)C)C 62a_100000210206_100009817138 [0,1,0,0,0,1|2,0,0]=4 6672 B12R1.1009 Cc1cncc(c1SC(C)C)C 62a_100009817138_100000210206 [0,1,0,0,0,1|2,0,0]=4 6673 B12R1.1009 Cc1nccc(c1SC(C)C)N 62a_100000210206_100010243816 [0,1,0,0,0,1|2,0,0]=4 6674 B12R1.1009 Cc1nccc(c1SC(C)C)N 62a_100010243816_100000210206 [0,1,0,0,0,1|2,0,0]=4 6675 B12R1.1009 Cc1occc(=O)c1OC(C)C 34a_100000031901_100000210206 [0,1,0,0,0,1|1,0,1]=4 6676 B12R1.46 C=C(C)c1cc(ccc1CO)Br 271570a_100000694244_100010146605 [0,2,0,0,0,0|0,0,2]=4 6677 B12R1.46 C=C(C)c1cc(ccc1CO)Cl 271570a_100000694244_100000722340 [0,2,0,0,0,0|0,0,2]=4 6678 B12R1.46 C=C(C)c1cc(ccc1CO)F 271570a_100000694244_100000744086 [0,2,0,0,0,0|0,0,2]=4 6679 B12R1.46 C=C(C)c1cc(ccc1CO)O 271570a_100000694244_100010146404 [0,2,0,0,0,0|0,0,2]=4 6680 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,2,0,0,0,0|0,0,2]=4 6681 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,2,0,0,0,0|0,0,2]=4 6682 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,2,0,0,0,0|0,0,2]=4 6683 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,2,0,0,0,0|0,0,2]=4 6684 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,2,0,0,0,0|0,0,2]=4 6685 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,2,0,0,0,0|0,0,2]=4 6686 B12R1.46 C=Cc1ccc(cc1C(C)C)Br 271570a_100011290941_100010244561 [0,2,0,0,0,0|1,0,0]=3 6687 B12R1.46 C=Cc1ccc(cc1C(C)N)F 271570a_100011290941_100012343209 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.46 C=Cc1ccc(cc1N(C)C)O 271570a_100011290941_200010083878 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.46 C=Cc1ccc(cc1[C@H](C)O)F 271570a_100011290941_100134768474 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|1,0,1]=4 6691 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|1,0,1]=4 6692 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|1,0,1]=4 6693 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|1,0,1]=4 6694 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|1,0,1]=4 6695 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|1,0,1]=4 6696 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|1,0,1]=4 6697 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|1,0,1]=4 6698 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|1,0,1]=4 6699 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 2230a_100000694223_200025704644 [0,2,0,0,0,0|1,0,0]=3 6700 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 34a_100000694223_200025704644 [0,2,0,0,0,0|1,0,0]=3 6701 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 7a_100000694223_200025704644 [0,2,0,0,0,0|1,0,0]=3 6702 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 2230a_100011941472_200025704644 [0,2,0,0,0,0|1,0,0]=3 6703 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 34a_100011941472_200025704644 [0,2,0,0,0,0|1,0,0]=3 6704 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 7a_100011941472_200025704644 [0,2,0,0,0,0|1,0,0]=3 6705 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [0,2,0,0,0,0|0,0,0]=2 6706 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [0,2,0,0,0,0|0,0,0]=2 6707 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_100010244561_200025704644 [0,2,0,0,0,0|0,1,0]=3 6708 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_200025704644_100010244561 [0,2,0,0,0,0|0,1,0]=3 6709 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_100012343209_200025704644 [0,2,0,0,0,0|1,1,0]=4 6710 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_200025704644_100012343209 [0,2,0,0,0,0|1,1,0]=4 6711 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [0,2,0,0,0,0|1,0,0]=3 6712 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [0,2,0,0,0,0|1,0,0]=3 6713 B12R1.46 CN(C)c1cc(ccc1C#N)Br 2230a_200012356631_200000210301 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.46 CN(C)c1cc(ccc1C#N)Br 269982a_200012356631_200000210301 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.46 CN(C)c1cc(ccc1C#N)Br 27a_100102631434_100010214477 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.46 CN(C)c1cc(ccc1C#N)Cl 27a_100102631434_100012355178 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.46 CN(C)c1cc(ccc1C#N)F 27a_100102631434_100011935285 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.46 CN(C)c1cc(ccc1S[13CH3])O 62a_200025704644_200010083878 [0,2,0,0,0,0|1,1,0]=4 6719 B12R1.46 CN([13CH3])c1cc(ccc1C#N)Br 2230a_200012356631_200025704644 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.46 CN([13CH3])c1cc(ccc1C#N)Br 269982a_200012356631_200025704644 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.46 CNc1ccc(cc1C(C)C)Br 2230a_100000694223_200000210301 [0,2,0,0,0,0|1,0,0]=3 6722 B12R1.46 CNc1ccc(cc1C(C)C)Br 34a_100000694223_200000210301 [0,2,0,0,0,0|1,0,0]=3 6723 B12R1.46 CNc1ccc(cc1C(C)C)Br 7a_100000694223_200000210301 [0,2,0,0,0,0|1,0,0]=3 6724 B12R1.46 CNc1ccc(cc1C(C)C)F 2230a_100011941472_200000210301 [0,2,0,0,0,0|1,0,0]=3 6725 B12R1.46 CNc1ccc(cc1C(C)C)F 34a_100011941472_200000210301 [0,2,0,0,0,0|1,0,0]=3 6726 B12R1.46 CNc1ccc(cc1C(C)C)F 7a_100011941472_200000210301 [0,2,0,0,0,0|1,0,0]=3 6727 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|1,0,1]=4 6728 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|1,0,1]=4 6729 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|1,0,1]=4 6730 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|1,0,1]=4 6731 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|1,0,1]=4 6732 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|1,0,1]=4 6733 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|1,0,1]=4 6734 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|1,0,1]=4 6735 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|1,0,1]=4 6736 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|1,0,1]=4 6737 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|1,0,1]=4 6739 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|1,0,1]=4 6740 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|1,0,1]=4 6741 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|1,0,1]=4 6742 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|1,0,1]=4 6743 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|1,0,1]=4 6744 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|1,0,1]=4 6745 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|1,0,1]=4 6746 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|1,0,1]=4 6747 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|1,0,1]=4 6748 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|1,0,1]=4 6749 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [0,2,0,0,0,0|0,0,0]=2 6750 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [0,2,0,0,0,0|0,0,0]=2 6751 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [0,2,0,0,0,0|1,0,0]=3 6752 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [0,2,0,0,0,0|1,0,0]=3 6753 B12R1.46 COc1ccc(cc1C(F)F)O 271570a_203496583355_100010146105 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [0,2,0,0,0,0|1,0,0]=3 6755 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [0,2,0,0,0,0|1,0,0]=3 6757 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [0,2,0,0,0,0|1,0,0]=3 6758 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_100010244561_200000210301 [0,2,0,0,0,0|0,1,0]=3 6759 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_200000210301_100010244561 [0,2,0,0,0,0|0,1,0]=3 6760 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_100012343209_200000210301 [0,2,0,0,0,0|1,1,0]=4 6761 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_200000210301_100012343209 [0,2,0,0,0,0|1,1,0]=4 6762 B12R1.46 CSc1ccc(cc1N(C)C)O 62a_200000210301_200010083878 [0,2,0,0,0,0|1,1,0]=4 6763 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_100134768474_200000210301 [0,2,0,0,0,0|1,1,0]=4 6764 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_200000210301_100134768474 [0,2,0,0,0,0|1,1,0]=4 6765 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [0,2,0,0,0,0|1,0,0]=3 6766 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [0,2,0,0,0,0|1,0,0]=3 6767 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [0,2,0,0,0,0|1,0,0]=3 6768 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [0,2,0,0,0,0|1,0,0]=3 6769 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_100134768474_200025704644 [0,2,0,0,0,0|1,1,0]=4 6770 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_200025704644_100134768474 [0,2,0,0,0,0|1,1,0]=4 6771 B12R1.57 C=C(C)c1ccc(cc1CO)Br 271570a_100000694244_100011356890 [0,2,0,0,0,0|0,0,2]=4 6772 B12R1.57 C=C(C)c1ccc(cc1CO)C 271570a_100000694244_100012361352 [0,2,0,0,0,0|0,0,2]=4 6773 B12R1.57 C=C(C)c1ccc(cc1CO)F 271570a_100000694244_100011217561 [0,2,0,0,0,0|0,0,2]=4 6774 B12R1.57 C=C(C)c1ccc(cc1CO)N 271570a_100000694244_100012347228 [0,2,0,0,0,0|0,0,2]=4 6775 B12R1.57 C=C(C)c1ccc(cc1CO)O 271570a_100000694244_100012351483 [0,2,0,0,0,0|0,0,2]=4 6776 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,2,0,0,0,0|0,0,2]=4 6777 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,2,0,0,0,0|0,0,2]=4 6778 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,2,0,0,0,0|0,0,2]=4 6779 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,2,0,0,0,0|0,0,2]=4 6780 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,2,0,0,0,0|0,0,2]=4 6781 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,2,0,0,0,0|0,0,2]=4 6782 B12R1.57 C=Cc1cc(ccc1N(C)C)C 271570a_100011290941_100012353700 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.57 C=Cc1cc(ccc1N(C)C)F 271570a_100011290941_100012349029 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.57 C=Cc1cc(ccc1N(C)C)N 271570a_100011290941_100011534197 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.57 C=Cc1cc(ccc1[C@@H](C)N)F 271570a_100011290941_100025704064 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,2,0,0,0,0|1,0,1]=4 6787 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,2,0,0,0,0|1,0,1]=4 6788 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,2,0,0,0,0|1,0,1]=4 6789 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,2,0,0,0,0|1,0,1]=4 6790 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,2,0,0,0,0|1,0,1]=4 6791 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,2,0,0,0,0|1,0,1]=4 6792 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,2,0,0,0,0|1,0,1]=4 6793 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,2,0,0,0,0|1,0,1]=4 6794 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 2230a_100012283353_200025704644 [0,2,0,0,0,0|1,0,0]=3 6795 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 34a_100012283353_200025704644 [0,2,0,0,0,0|1,0,0]=3 6796 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 7a_100012283353_200025704644 [0,2,0,0,0,0|1,0,0]=3 6797 B12R1.57 CN(C)c1ccc(cc1C#N)Br 2230a_100013037436_200000210301 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.57 CN(C)c1ccc(cc1C#N)Br 269982a_100013037436_200000210301 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.57 CN(C)c1ccc(cc1C#N)Br 27a_100102631434_100011219714 [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.57 CN(C)c1ccc(cc1C#N)Br 7a_100013037436_200000210301 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.57 CN(C)c1ccc(cc1C=O)O 271570a_203496583355_100012753127 [0,2,0,0,0,0|1,0,1]=4 6802 B12R1.57 CN(C)c1ccc(cc1S[13CH3])F 62a_100012349029_200025704644 [0,2,0,0,0,0|1,1,0]=4 6803 B12R1.57 CN(C)c1ccc(cc1S[13CH3])F 62a_200025704644_100012349029 [0,2,0,0,0,0|1,1,0]=4 6804 B12R1.57 CN(C)c1ccc(cc1S[13CH3])N 62a_100011534197_200025704644 [0,2,0,0,0,0|1,1,0]=4 6805 B12R1.57 CN(C)c1ccc(cc1S[13CH3])N 62a_200025704644_100011534197 [0,2,0,0,0,0|1,1,0]=4 6806 B12R1.57 CN([13CH3])c1ccc(cc1C#N)Br 2230a_100013037436_200025704644 [0,2,0,0,0,0|2,0,0]=4 6807 B12R1.57 CN([13CH3])c1ccc(cc1C#N)Br 269982a_100013037436_200025704644 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.57 CN([13CH3])c1ccc(cc1C#N)Br 7a_100013037436_200025704644 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.57 CNc1cc(ccc1C(C)C)F 2230a_100012283353_200000210301 [0,2,0,0,0,0|1,0,0]=3 6810 B12R1.57 CNc1cc(ccc1C(C)C)F 34a_100012283353_200000210301 [0,2,0,0,0,0|1,0,0]=3 6811 B12R1.57 CNc1cc(ccc1C(C)C)F 7a_100012283353_200000210301 [0,2,0,0,0,0|1,0,0]=3 6812 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,2,0,0,0,0|1,0,1]=4 6813 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,2,0,0,0,0|1,0,1]=4 6814 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,2,0,0,0,0|1,0,1]=4 6815 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,2,0,0,0,0|1,0,1]=4 6816 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,2,0,0,0,0|1,0,1]=4 6817 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,2,0,0,0,0|1,0,1]=4 6818 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,2,0,0,0,0|1,0,1]=4 6819 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,2,0,0,0,0|1,0,1]=4 6820 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,2,0,0,0,0|1,0,1]=4 6821 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,2,0,0,0,0|1,0,1]=4 6822 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,2,0,0,0,0|1,0,1]=4 6823 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|1,0,1]=4 6824 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,2,0,0,0,0|1,0,1]=4 6825 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,2,0,0,0,0|1,0,1]=4 6826 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,2,0,0,0,0|1,0,1]=4 6827 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,2,0,0,0,0|1,0,1]=4 6828 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,2,0,0,0,0|1,0,1]=4 6829 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [0,2,0,0,0,0|0,0,0]=2 6830 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [0,2,0,0,0,0|0,0,0]=2 6831 B12R1.57 COc1cc(ccc1C(F)F)O 271570a_203496583355_100010146106 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [0,2,0,0,0,0|1,0,0]=3 6834 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [0,2,0,0,0,0|1,0,0]=3 6835 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 6836 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [0,2,0,0,0,0|1,0,0]=3 6841 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.57 CSc1cc(ccc1N(C)C)C 62a_100012353700_200000210301 [0,2,0,0,0,0|1,1,0]=4 6847 B12R1.57 CSc1cc(ccc1N(C)C)C 62a_200000210301_100012353700 [0,2,0,0,0,0|1,1,0]=4 6848 B12R1.57 CSc1cc(ccc1N(C)C)F 62a_100012349029_200000210301 [0,2,0,0,0,0|1,1,0]=4 6849 B12R1.57 CSc1cc(ccc1N(C)C)F 62a_200000210301_100012349029 [0,2,0,0,0,0|1,1,0]=4 6850 B12R1.57 CSc1cc(ccc1N(C)C)N 62a_100011534197_200000210301 [0,2,0,0,0,0|1,1,0]=4 6851 B12R1.57 CSc1cc(ccc1N(C)C)N 62a_200000210301_100011534197 [0,2,0,0,0,0|1,1,0]=4 6852 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_100025704064_200000210301 [0,2,0,0,0,0|1,1,0]=4 6853 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_200000210301_100025704064 [0,2,0,0,0,0|1,1,0]=4 6854 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_100025704064_200025704644 [0,2,0,0,0,0|1,1,0]=4 6855 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_200025704644_100025704064 [0,2,0,0,0,0|1,1,0]=4 6856 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [0,2,0,0,0,0|0,0,0]=2 6857 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [0,2,0,0,0,0|0,0,0]=2 6858 B12R1.57 Cc1ccc(c(c1)S[13CH3])N(C)C 62a_100012353700_200025704644 [0,2,0,0,0,0|1,1,0]=4 6859 B12R1.57 Cc1ccc(c(c1)S[13CH3])N(C)C 62a_200025704644_100012353700 [0,2,0,0,0,0|1,1,0]=4 6860 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,2,0,0,0,0|1,0,1]=4 6861 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,2,0,0,0,0|1,0,1]=4 6862 B12R1.76 C=Cc1ccccc1C(C)(C)C 271570a_100011290941_100012339570 [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.76 C=Cc1ccccc1C(C)(C)N 271570a_100011290941_100020606264 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.76 C=Cc1ccccc1C(C)(C)O 271570a_100011290941_100011346021 [0,2,0,0,0,0|1,0,0]=3 6865 B12R1.76 C=Cc1ccccc1C(C)(F)F 271570a_100011290941_100010220483 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.76 C=Cc1cccnc1C(C)(C)O 271570a_100011290941_200010080787 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.76 C=Cc1ncccc1C(C)(C)O 271570a_100011290941_100010080783 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 2230a_100000211005_200025704644 [0,2,0,0,0,0|1,0,0]=3 6869 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 34a_100000211005_200025704644 [0,2,0,0,0,0|1,0,0]=3 6870 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 7a_100000211005_200025704644 [0,2,0,0,0,0|1,0,0]=3 6871 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [0,2,0,0,0,0|0,0,0]=2 6872 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [0,2,0,0,0,0|0,0,0]=2 6873 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_100012339570_200025704644 [0,2,0,0,0,0|0,1,0]=3 6874 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_200025704644_100012339570 [0,2,0,0,0,0|0,1,0]=3 6875 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_100020606264_200025704644 [0,2,0,0,0,0|0,1,0]=3 6876 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_200025704644_100020606264 [0,2,0,0,0,0|0,1,0]=3 6877 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 34a_100000081495_200025704644 [0,2,0,0,0,0|1,0,0]=3 6878 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 7a_100000081495_200025704644 [0,2,0,0,0,0|1,0,0]=3 6879 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_100011346021_200025704644 [0,2,0,0,0,0|0,1,0]=3 6880 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_200025704644_100011346021 [0,2,0,0,0,0|0,1,0]=3 6881 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_100010080783_200025704644 [0,2,0,0,0,0|1,1,0]=4 6882 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_200025704644_100010080783 [0,2,0,0,0,0|1,1,0]=4 6883 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200010080787_200025704644 [0,2,0,0,0,0|1,1,0]=4 6884 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200025704644_200010080787 [0,2,0,0,0,0|1,1,0]=4 6885 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_100010220483_200025704644 [0,2,0,0,0,0|1,1,0]=4 6886 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_200025704644_100010220483 [0,2,0,0,0,0|1,1,0]=4 6887 B12R1.76 CNc1ccccc1C(C)(C)C 2230a_100000211005_200000210301 [0,2,0,0,0,0|1,0,0]=3 6888 B12R1.76 CNc1ccccc1C(C)(C)C 34a_100000211005_200000210301 [0,2,0,0,0,0|1,0,0]=3 6889 B12R1.76 CNc1ccccc1C(C)(C)C 7a_100000211005_200000210301 [0,2,0,0,0,0|1,0,0]=3 6890 B12R1.76 CNc1ccccc1C(C)(C)O 34a_100000081495_200000210301 [0,2,0,0,0,0|1,0,0]=3 6891 B12R1.76 CNc1ccccc1C(C)(C)O 7a_100000081495_200000210301 [0,2,0,0,0,0|1,0,0]=3 6892 B12R1.76 CNc1ccccc1P(=O)(C)C 2230a_100010749338_200000210301 [0,2,0,0,0,0|2,0,0]=4 6893 B12R1.76 CNc1ccccc1P(=O)(C)C 34a_100010749338_200000210301 [0,2,0,0,0,0|2,0,0]=4 6894 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [0,2,0,0,0,0|0,0,0]=2 6895 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [0,2,0,0,0,0|0,0,0]=2 6896 B12R1.76 COc1ccccc1C(F)(F)F 34a_100000236976_200000210301 [0,2,0,0,0,0|2,0,0]=4 6897 B12R1.76 COc1ccccc1C(F)(F)F 7a_100000236976_200000210301 [0,2,0,0,0,0|2,0,0]=4 6898 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [0,2,0,0,0,0|2,0,0]=4 6899 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [0,2,0,0,0,0|2,0,0]=4 6900 B12R1.76 COc1ccccc1[Si](C)(C)C 7a_100000095915_200000210301 [0,2,0,0,0,0|0,1,0]=3 6901 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 2230a_100010749338_200025704644 [0,2,0,0,0,0|2,0,0]=4 6902 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 34a_100010749338_200025704644 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [0,2,0,0,0,0|2,0,0]=4 6904 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [0,2,0,0,0,0|2,0,0]=4 6905 B12R1.76 CSc1ccccc1C(C)(C)C 62a_100012339570_200000210301 [0,2,0,0,0,0|0,1,0]=3 6906 B12R1.76 CSc1ccccc1C(C)(C)C 62a_200000210301_100012339570 [0,2,0,0,0,0|0,1,0]=3 6907 B12R1.76 CSc1ccccc1C(C)(C)N 62a_100020606264_200000210301 [0,2,0,0,0,0|0,1,0]=3 6908 B12R1.76 CSc1ccccc1C(C)(C)N 62a_200000210301_100020606264 [0,2,0,0,0,0|0,1,0]=3 6909 B12R1.76 CSc1ccccc1C(C)(C)O 62a_100011346021_200000210301 [0,2,0,0,0,0|0,1,0]=3 6910 B12R1.76 CSc1ccccc1C(C)(C)O 62a_200000210301_100011346021 [0,2,0,0,0,0|0,1,0]=3 6911 B12R1.76 CSc1ccccc1C(C)(F)F 62a_100010220483_200000210301 [0,2,0,0,0,0|1,1,0]=4 6912 B12R1.76 CSc1ccccc1C(C)(F)F 62a_200000210301_100010220483 [0,2,0,0,0,0|1,1,0]=4 6913 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200000210301_200010080787 [0,2,0,0,0,0|1,1,0]=4 6914 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200010080787_200000210301 [0,2,0,0,0,0|1,1,0]=4 6915 B12R1.76 CSc1ncccc1C(C)(C)O 62a_100010080783_200000210301 [0,2,0,0,0,0|1,1,0]=4 6916 B12R1.76 CSc1ncccc1C(C)(C)O 62a_200000210301_100010080783 [0,2,0,0,0,0|1,1,0]=4 6917 B12R1.76 C[Si](C)(C)c1ccccc1O[13CH3] 7a_100000095915_200025704644 [0,2,0,0,0,0|0,1,0]=3 6918 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 34a_100000236976_200025704644 [0,2,0,0,0,0|2,0,0]=4 6919 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 7a_100000236976_200025704644 [0,2,0,0,0,0|2,0,0]=4 6920 B12R1.77 C=Cc1ccccc1C(C)C#N 271570a_100011290941_200010232107 [0,2,0,0,0,0|1,0,1]=4 6921 B12R1.77 C=Cc1ccccc1C(C)NC 271570a_100011290941_100000692418 [0,2,0,0,0,0|1,0,0]=3 6922 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.77 C=Cc1ccccc1[C@H](N)CO 271570a_100011290941_100161155918 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.77 C=Cc1cccnc1[C@H](C)OC 271570a_100011290941_106256553109 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,2,0,0,0,0|1,0,1]=4 6926 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200010232107_200025704644 [0,2,0,0,0,0|0,1,1]=4 6927 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200025704644_200010232107 [0,2,0,0,0,0|0,1,1]=4 6928 B12R1.77 CC(N[13CH3])c1ccccc1C#N 2230a_100160469468_200025704644 [0,2,0,0,0,0|1,0,0]=3 6929 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,2,0,0,0,0|1,0,1]=4 6930 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|1,0,1]=4 6931 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|1,0,1]=4 6932 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|1,0,1]=4 6933 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [0,2,0,0,0,0|1,0,0]=3 6934 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [0,2,0,0,0,0|1,0,0]=3 6935 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [0,2,0,0,0,0|1,0,0]=3 6936 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [0,2,0,0,0,0|1,0,0]=3 6937 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,2,0,0,0,0|0,0,0]=2 6938 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,2,0,0,0,0|0,0,0]=2 6939 B12R1.77 CCN(C)c1ccccc1C#N 2230a_100000744078_100000210202 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.77 CCN(C)c1ccccc1C#N 2230a_200000218880_200000210301 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.77 CCN(C)c1ccccc1C#N 269982a_100000744078_100000204670 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.77 CCN(C)c1ccccc1C#N 269982a_200000218880_200000210301 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.77 CCN(C)c1ccccc1OC 2230a_100000219746_100000210202 [0,2,0,0,0,0|1,0,0]=3 6944 B12R1.77 CCN(C)c1ccccc1OC 2230a_100020603010_200000210301 [0,2,0,0,0,0|1,0,0]=3 6945 B12R1.77 CCN(C)c1ccccc1OC 269982a_100000219746_100000204670 [0,2,0,0,0,0|1,0,0]=3 6946 B12R1.77 CCN(C)c1ccccc1OC 269982a_100020603010_200000210301 [0,2,0,0,0,0|1,0,0]=3 6947 B12R1.77 CCN(C)c1ccccc1OC 34a_100000219746_100000210202 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.77 CCN([13CH3])c1ccccc1C#N 2230a_200000218880_200025704644 [0,2,0,0,0,0|2,0,0]=4 6949 B12R1.77 CCN([13CH3])c1ccccc1C#N 269982a_200000218880_200025704644 [0,2,0,0,0,0|2,0,0]=4 6950 B12R1.77 CCN([13CH3])c1ccccc1OC 2230a_100020603010_200025704644 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.77 CCN([13CH3])c1ccccc1OC 269982a_100020603010_200025704644 [0,2,0,0,0,0|1,0,0]=3 6952 B12R1.77 CN(CF)c1ccccc1C#N 269982a_100000744078_100015361967 [0,2,0,0,0,0|2,0,0]=4 6953 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|1,0,1]=4 6954 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|1,0,1]=4 6955 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|1,0,1]=4 6956 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|1,0,1]=4 6957 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|1,0,1]=4 6958 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|1,0,1]=4 6959 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|1,0,1]=4 6960 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|1,0,1]=4 6961 B12R1.77 CNC(C)c1ccccc1C#N 2230a_100160469468_200000210301 [0,2,0,0,0,0|1,0,0]=3 6962 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,2,0,0,0,0|0,0,0]=2 6963 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,2,0,0,0,0|0,0,0]=2 6964 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,2,0,0,0,0|0,1,0]=3 6965 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,2,0,0,0,0|0,1,0]=3 6966 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,2,0,0,0,0|0,1,0]=3 6967 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,2,0,0,0,0|0,1,0]=3 6968 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [0,2,0,0,0,0|1,0,0]=3 6969 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [0,2,0,0,0,0|1,0,0]=3 6970 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|1,0,1]=4 6971 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|1,0,1]=4 6972 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_106256553109_200000210301 [0,2,0,0,0,0|1,1,0]=4 6973 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_200000210301_106256553109 [0,2,0,0,0,0|1,1,0]=4 6974 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_106256553109_200025704644 [0,2,0,0,0,0|1,1,0]=4 6975 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_200025704644_106256553109 [0,2,0,0,0,0|1,1,0]=4 6976 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,2,0,0,0,0|1,0,1]=4 6977 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|1,0,1]=4 6978 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|1,0,1]=4 6979 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,2,0,0,0,0|0,0,0]=2 6980 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,2,0,0,0,0|0,0,0]=2 6981 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,2,0,0,0,0|0,0,0]=2 6982 B12R1.77 COc1ccccc1N(C)CF 269982a_100000219746_100015361967 [0,2,0,0,0,0|1,0,0]=3 6983 B12R1.77 COc1ccccc1N(C)CF 34a_100000219746_100015361967 [0,2,0,0,0,0|1,0,0]=3 6984 B12R1.77 CSc1ccccc1C(C)C#N 62a_200000210301_200010232107 [0,2,0,0,0,0|0,1,1]=4 6985 B12R1.77 CSc1ccccc1C(C)C#N 62a_200010232107_200000210301 [0,2,0,0,0,0|0,1,1]=4 6986 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,2,0,0,0,0|1,1,0]=4 6987 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,2,0,0,0,0|1,1,0]=4 6988 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_100161155918_200000210301 [0,2,0,0,0,0|1,1,0]=4 6989 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_200000210301_100161155918 [0,2,0,0,0,0|1,1,0]=4 6990 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,2,0,0,0,0|1,0,1]=4 6991 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|1,0,1]=4 6992 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,2,0,0,0,0|1,1,0]=4 6993 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,2,0,0,0,0|1,1,0]=4 6994 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_100161155918_200025704644 [0,2,0,0,0,0|1,1,0]=4 6995 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_200025704644_100161155918 [0,2,0,0,0,0|1,1,0]=4 6996 B12R1.87 C=C(C)c1cccc(c1CO)F 271570a_100000694244_100012355691 [0,2,0,0,0,0|0,0,2]=4 6997 B12R1.87 C=C(C)c1cccc(c1CO)N 271570a_100000694244_100000747656 [0,2,0,0,0,0|0,0,2]=4 6998 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,2,0,0,0,0|0,0,2]=4 6999 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,2,0,0,0,0|0,0,2]=4 7000 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,2,0,0,0,0|0,0,2]=4 7001 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,2,0,0,0,0|0,0,2]=4 7002 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,2,0,0,0,0|0,0,2]=4 7003 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,2,0,0,0,0|0,0,2]=4 7004 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|1,0,1]=4 7005 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|1,0,1]=4 7006 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|1,0,1]=4 7007 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|1,0,1]=4 7008 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|1,0,1]=4 7009 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|1,0,1]=4 7010 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 2230a_100010571509_200025704644 [0,2,0,0,0,0|1,0,0]=3 7011 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 34a_100010571509_200025704644 [0,2,0,0,0,0|1,0,0]=3 7012 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 7a_100010571509_200025704644 [0,2,0,0,0,0|1,0,0]=3 7013 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 2230a_200009958663_200025704644 [0,2,0,0,0,0|1,0,0]=3 7014 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 34a_200009958663_200025704644 [0,2,0,0,0,0|1,0,0]=3 7015 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 7a_200009958663_200025704644 [0,2,0,0,0,0|1,0,0]=3 7016 B12R1.87 CN(C)c1cccc(c1C#N)Br 2230a_200012769483_200000210301 [0,2,0,0,0,0|2,0,0]=4 7017 B12R1.87 CN(C)c1cccc(c1C#N)Br 269982a_200012769483_200000210301 [0,2,0,0,0,0|2,0,0]=4 7018 B12R1.87 CN(C)c1cccc(c1C#N)Br 27a_100102631434_100010071968 [0,2,0,0,0,0|2,0,0]=4 7019 B12R1.87 CN(C)c1cccc(c1C#N)Cl 27a_100102631434_200000049503 [0,2,0,0,0,0|2,0,0]=4 7020 B12R1.87 CN(C)c1cccc(c1C#N)F 2230a_200000199173_200000210301 [0,2,0,0,0,0|2,0,0]=4 7021 B12R1.87 CN(C)c1cccc(c1C#N)F 269982a_200000199173_200000210301 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.87 CN(C)c1cccc(c1C#N)F 27a_100102631434_100000039607 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.87 CN(C)c1cccc(c1C#N)F 34a_200000199173_200000210301 [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.87 CN(C)c1cccc(c1C=O)O 271570a_203496583355_100010365569 [0,2,0,0,0,0|1,0,1]=4 7025 B12R1.87 CN([13CH3])c1cccc(c1C#N)Br 2230a_200012769483_200025704644 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.87 CN([13CH3])c1cccc(c1C#N)Br 269982a_200012769483_200025704644 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.87 CN([13CH3])c1cccc(c1C#N)F 2230a_200000199173_200025704644 [0,2,0,0,0,0|2,0,0]=4 7028 B12R1.87 CN([13CH3])c1cccc(c1C#N)F 269982a_200000199173_200025704644 [0,2,0,0,0,0|2,0,0]=4 7029 B12R1.87 CN([13CH3])c1cccc(c1C#N)F 34a_200000199173_200025704644 [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.87 CNc1c(cccc1C(C)C)Br 2230a_100010571509_200000210301 [0,2,0,0,0,0|1,0,0]=3 7031 B12R1.87 CNc1c(cccc1C(C)C)Br 34a_100010571509_200000210301 [0,2,0,0,0,0|1,0,0]=3 7032 B12R1.87 CNc1c(cccc1C(C)C)Br 7a_100010571509_200000210301 [0,2,0,0,0,0|1,0,0]=3 7033 B12R1.87 CNc1c(cccc1C(C)C)C 2230a_100138557336_200000210301 [0,2,0,0,0,0|1,0,0]=3 7034 B12R1.87 CNc1c(cccc1C(C)C)C 34a_100138557336_200000210301 [0,2,0,0,0,0|1,0,0]=3 7035 B12R1.87 CNc1c(cccc1C(C)C)C 7a_100138557336_200000210301 [0,2,0,0,0,0|1,0,0]=3 7036 B12R1.87 CNc1c(cccc1C(C)C)Cl 2230a_200009958663_200000210301 [0,2,0,0,0,0|1,0,0]=3 7037 B12R1.87 CNc1c(cccc1C(C)C)Cl 34a_200009958663_200000210301 [0,2,0,0,0,0|1,0,0]=3 7038 B12R1.87 CNc1c(cccc1C(C)C)Cl 7a_200009958663_200000210301 [0,2,0,0,0,0|1,0,0]=3 7039 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|1,0,1]=4 7040 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|1,0,1]=4 7041 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|1,0,1]=4 7042 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|1,0,1]=4 7043 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|1,0,1]=4 7044 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|1,0,1]=4 7045 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|1,0,1]=4 7046 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|1,0,1]=4 7047 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|1,0,1]=4 7048 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|1,0,1]=4 7049 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|1,0,1]=4 7050 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|1,0,1]=4 7051 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|1,0,1]=4 7052 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|1,0,1]=4 7053 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|1,0,1]=4 7054 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|1,0,1]=4 7055 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|1,0,1]=4 7056 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 2230a_100138557336_200025704644 [0,2,0,0,0,0|1,0,0]=3 7057 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 34a_100138557336_200025704644 [0,2,0,0,0,0|1,0,0]=3 7058 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 7a_100138557336_200025704644 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.261 C=C(C)c1ccccc1B(O)O 271570a_100000694244_100000693059 [0,2,0,0,0,0|0,0,2]=4 7060 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [0,2,0,0,0,0|2,0,0]=4 7062 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,2,0,0,0,0|0,0,2]=4 7063 B12R1.261 C=C(C)c1ccccc1N(C)C 271570a_100000694244_100011290883 [0,2,0,0,0,0|2,0,0]=4 7064 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,2,0,0,0,0|2,0,0]=4 7065 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,2,0,0,0,0|0,0,1]=3 7066 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,2,0,0,0,0|1,0,1]=4 7067 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,2,0,0,0,0|0,0,1]=3 7068 B12R1.261 CC(C)c1ccccc1N(C)C 2230a_106256037369_200000210301 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.261 CC(C)c1ccccc1N(C)C 269982a_106256037369_200000210301 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.261 CC(C)c1ccccc1N(C)C 34a_106256037369_200000210301 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.261 CC(C)c1ccccc1N(C)C 38a_106256037369_200000210301 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 2230a_106256037369_200025704644 [0,2,0,0,0,0|1,0,0]=3 7073 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 269982a_106256037369_200025704644 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 34a_106256037369_200025704644 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 38a_106256037369_200025704644 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [0,2,0,0,0,0|1,0,1]=4 7077 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,2,0,0,0,0|1,0,1]=4 7078 B12R1.261 CN(C)c1ccccc1[N+](=O)[O-] 2230a_100000156515_200000210301 [0,2,0,0,0,0|1,0,1]=4 7079 B12R1.261 CN(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_200000210301 [0,2,0,0,0,0|1,0,1]=4 7080 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [0,2,0,0,0,0|1,0,1]=4 7081 B12R1.261 CN([13CH3])c1ccccc1[N+](=O)[O-] 2230a_100000156515_200025704644 [0,2,0,0,0,0|1,0,1]=4 7082 B12R1.261 CN([13CH3])c1ccccc1[N+](=O)[O-] 269982a_100000156515_200025704644 [0,2,0,0,0,0|1,0,1]=4 7083 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,2,0,0,0,0|0,0,2]=4 7084 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,2,0,0,0,0|0,0,2]=4 7085 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,2,0,0,0,0|0,0,2]=4 7086 B12R1.283 C=C=Cc1ccccc1C(C)C 271570a_100015277604_100011218076 [0,2,0,0,0,0|1,0,0]=3 7087 B12R1.283 C=C=Cc1ccccc1C(C)N 271570a_100015277604_100000181357 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.283 C=C=Cc1ccccc1C(C)O 271570a_100015277604_100000702211 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.283 C=C=Cc1ccccc1N(C)C 271570a_100015277604_100011290883 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.283 C=C=Cc1ncccc1C(C)C 271570a_100015277604_200010382935 [0,2,0,0,0,0|2,0,0]=4 7091 B12R1.283 CC(C)c1ccccc1NCF 34a_100000210643_100015361967 [0,2,0,0,0,0|1,0,0]=3 7092 B12R1.283 CC(C)c1ccccc1NCF 7a_100000210643_100015361967 [0,2,0,0,0,0|1,0,0]=3 7093 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,2,0,0,0,0|0,0,0]=2 7094 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,2,0,0,0,0|0,0,0]=2 7095 B12R1.283 CC(C)c1ccccc1SCF 62a_100000708600_100015361967 [0,2,0,0,0,0|0,1,0]=3 7096 B12R1.283 CC(C)c1ccccc1SCF 62a_100015361967_100000708600 [0,2,0,0,0,0|0,1,0]=3 7097 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,2,0,0,0,0|1,0,0]=3 7098 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200025704644_200134614246 [0,2,0,0,0,0|1,1,0]=4 7099 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200134614246_200025704644 [0,2,0,0,0,0|1,1,0]=4 7100 B12R1.283 CC(C)c1cccnc1SCF 62a_100015361967_200010382935 [0,2,0,0,0,0|1,1,0]=4 7101 B12R1.283 CC(C)c1cccnc1SCF 62a_200010382935_100015361967 [0,2,0,0,0,0|1,1,0]=4 7102 B12R1.283 CC(C)c1ncccc1OCF 34a_100012183336_100015361967 [0,2,0,0,0,0|1,0,0]=3 7103 B12R1.283 CC(C)c1ncccc1OCF 7a_100012183336_100015361967 [0,2,0,0,0,0|1,0,0]=3 7104 B12R1.283 CC(N)c1ccccc1SCF 62a_100000181357_100015361967 [0,2,0,0,0,0|1,1,0]=4 7105 B12R1.283 CC(N)c1ccccc1SCF 62a_100015361967_100000181357 [0,2,0,0,0,0|1,1,0]=4 7106 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.283 CC(O)c1ccccc1SCF 62a_100000702211_100015361967 [0,2,0,0,0,0|1,1,0]=4 7109 B12R1.283 CC(O)c1ccccc1SCF 62a_100015361967_100000702211 [0,2,0,0,0,0|1,1,0]=4 7110 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,2,0,0,0,0|1,0,0]=3 7111 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [0,2,0,0,0,0|2,0,0]=4 7113 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [0,2,0,0,0,0|2,0,0]=4 7114 B12R1.283 CC=Cc1ncccc1C(C)C 271570a_100016259895_200010382935 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,2,0,0,0,0|1,0,0]=3 7116 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,2,0,0,0,0|1,0,0]=3 7117 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,2,0,0,0,0|1,0,0]=3 7118 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,2,0,0,0,0|1,0,1]=4 7120 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,2,0,0,0,0|1,0,1]=4 7121 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,2,0,0,0,0|0,0,0]=2 7122 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,2,0,0,0,0|0,0,0]=2 7123 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,2,0,0,0,0|1,0,0]=3 7124 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,2,0,0,0,0|1,0,0]=3 7125 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,2,0,0,0,0|0,1,0]=3 7129 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,2,0,0,0,0|0,1,0]=3 7130 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,2,0,0,0,0|1,1,0]=4 7131 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,2,0,0,0,0|1,1,0]=4 7132 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,2,0,0,0,0|1,1,0]=4 7133 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,2,0,0,0,0|1,1,0]=4 7134 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [0,2,0,0,0,0|1,1,0]=4 7135 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [0,2,0,0,0,0|1,1,0]=4 7136 B12R1.283 CCSc1ncccc1C(C)C 62a_100000210202_200010382935 [0,2,0,0,0,0|1,1,0]=4 7137 B12R1.283 CCSc1ncccc1C(C)C 62a_200010382935_100000210202 [0,2,0,0,0,0|1,1,0]=4 7138 B12R1.283 CN(C)c1ccccc1SCF 62a_100011290883_100015361967 [0,2,0,0,0,0|1,1,0]=4 7139 B12R1.283 CN(C)c1ccccc1SCF 62a_100015361967_100011290883 [0,2,0,0,0,0|1,1,0]=4 7140 B12R1.283 CNCc1ccccc1C(C)C 207a_100102657272_100011361515 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.283 CNCc1ccccc1C(C)C 26a_100102657272_100000211617 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.283 CNCc1ccccc1C(C)C 270004a_106832991635_100011361515 [0,2,0,0,0,0|1,0,0]=3 7143 B12R1.283 CNCc1ccccc1N(C)C 207a_100102657272_100000750901 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.283 CNCc1ccccc1N(C)C 270004a_106832991635_100000750901 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.283 CNCc1ncccc1C(C)C 2230a_106832991635_200134614246 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.283 CNCc1ncccc1C(C)C 34a_100102657272_200134614246 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.283 CNCc1ncccc1C(C)C 7a_106832991635_200134614246 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,2,0,0,0,0|1,0,1]=4 7149 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,2,0,0,0,0|1,0,1]=4 7150 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.283 CSCc1ncccc1C(C)C 62a_200000210301_200134614246 [0,2,0,0,0,0|1,1,0]=4 7153 B12R1.283 CSCc1ncccc1C(C)C 62a_200134614246_200000210301 [0,2,0,0,0,0|1,1,0]=4 7154 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,2,0,0,0,0|1,0,0]=3 7155 B12R1.437 C=C(C)c1c(cccc1C#N)O 271570a_100000694244_100009818990 [0,2,0,0,0,0|0,0,2]=4 7156 B12R1.437 C=C(C)c1c(cccc1C=O)O 271570a_100000694244_100009816417 [0,2,0,0,0,0|0,0,2]=4 7157 B12R1.437 C=C(C)c1c(cccc1CO)Br 271570a_100000694244_100010146604 [0,2,0,0,0,0|0,0,2]=4 7158 B12R1.437 C=C(C)c1c(cccc1CO)C 271570a_100000694244_100011659289 [0,2,0,0,0,0|0,0,2]=4 7159 B12R1.437 C=C(C)c1c(cccc1CO)F 271570a_100000694244_100000692438 [0,2,0,0,0,0|0,0,2]=4 7160 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [0,2,0,0,0,0|0,0,2]=4 7161 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [0,2,0,0,0,0|0,0,2]=4 7162 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [0,2,0,0,0,0|0,0,2]=4 7163 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [0,2,0,0,0,0|0,0,2]=4 7164 B12R1.437 C=Cc1cccc(c1C(=O)C)O 271570a_100011290941_100010174959 [0,2,0,0,0,0|1,0,1]=4 7165 B12R1.437 C=Cc1cccc(c1C(C)O)F 271570a_100011290941_100013085324 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,2,0,0,0,0|1,0,1]=4 7167 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,2,0,0,0,0|1,0,1]=4 7168 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,2,0,0,0,0|1,0,1]=4 7169 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,2,0,0,0,0|1,0,1]=4 7170 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,2,0,0,0,0|1,0,1]=4 7171 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,2,0,0,0,0|1,0,1]=4 7172 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,2,0,0,0,0|1,0,1]=4 7173 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,2,0,0,0,0|1,0,1]=4 7174 B12R1.437 CC(O)c1c(cccc1S[13CH3])F 62a_100013085324_200025704644 [0,2,0,0,0,0|1,1,0]=4 7175 B12R1.437 CC(O)c1c(cccc1S[13CH3])F 62a_200025704644_100013085324 [0,2,0,0,0,0|1,1,0]=4 7176 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,2,0,0,0,0|1,0,1]=4 7177 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,2,0,0,0,0|1,0,1]=4 7178 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,2,0,0,0,0|1,0,1]=4 7179 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,2,0,0,0,0|1,0,1]=4 7180 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,2,0,0,0,0|1,0,1]=4 7181 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,2,0,0,0,0|1,0,1]=4 7182 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,2,0,0,0,0|1,0,1]=4 7183 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,2,0,0,0,0|1,0,1]=4 7184 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,2,0,0,0,0|1,0,1]=4 7185 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,2,0,0,0,0|1,0,1]=4 7186 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,2,0,0,0,0|1,0,1]=4 7187 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,2,0,0,0,0|1,0,1]=4 7188 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,2,0,0,0,0|1,0,1]=4 7189 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,2,0,0,0,0|1,0,1]=4 7190 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,2,0,0,0,0|1,0,1]=4 7191 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,2,0,0,0,0|1,0,1]=4 7192 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,2,0,0,0,0|1,0,1]=4 7193 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,2,0,0,0,0|1,0,1]=4 7194 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,2,0,0,0,0|1,0,1]=4 7195 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,2,0,0,0,0|1,0,1]=4 7196 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,2,0,0,0,0|1,0,1]=4 7197 B12R1.437 CSc1cccc(c1C(C)O)F 62a_100013085324_200000210301 [0,2,0,0,0,0|1,1,0]=4 7198 B12R1.437 CSc1cccc(c1C(C)O)F 62a_200000210301_100013085324 [0,2,0,0,0,0|1,1,0]=4 7199 B12R1.126 CC(C)(C)c1ccc(cc1O)N 271570a_203496583355_100010219255 [0,2,0,0,0,0|0,0,0]=2 7200 B12R1.126 CC(F)(F)c1ccc(cc1O)F 271570a_203496583355_100010244463 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.126 CS(=O)(=O)c1ccc(cc1O)F 271570a_203496583355_100010175559 [0,2,0,0,0,0|2,0,0]=4 7202 B12R1.126 Cc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100010238361 [0,2,0,0,0,0|2,0,0]=4 7203 B12R1.126 Nc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100000709241 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.126 Oc1cc(ccc1C(F)(F)F)Br 271570a_203496583355_100010291818 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.126 Oc1cc(ccc1C(F)(F)F)Cl 271570a_203496583355_200010759302 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.126 Oc1cc(ccc1C(F)(F)F)F 271570a_203496583355_100009813787 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.126 Oc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_100000689231 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.126 Oc1ccc(c(c1)O)C(F)(F)F 271570a_203496583355_200010175191 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.128 CC(C)(C)c1cc(ccc1N)O 271570a_203496583355_100010286096 [0,2,0,0,0,0|1,0,0]=3 7210 B12R1.128 CC(C)(C)c1cc(ccc1O)O 271570a_203496583355_100000704011 [0,2,0,0,0,0|0,0,0]=2 7211 B12R1.128 CC(C)(C)c1cc(ccc1O)O 271570a_203496583355_200010201835 [0,2,0,0,0,0|0,0,0]=2 7212 B12R1.128 CC(C)(O)c1cc(ccc1F)O 271570a_203496583355_100012636306 [0,2,0,0,0,0|1,0,0]=3 7213 B12R1.128 CC(F)(F)c1cc(ccc1F)O 271570a_203496583355_100011004755 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.128 Cc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100009813799 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.128 Nc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100000211522 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.128 Oc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100000693511 [0,2,0,0,0,0|2,0,0]=4 7218 B12R1.128 Oc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100011934338 [0,2,0,0,0,0|2,0,0]=4 7219 B12R1.128 Oc1ccc(cc1C(F)(F)F)Br 271570a_203496583355_100011217172 [0,2,0,0,0,0|2,0,0]=4 7220 B12R1.128 Oc1ccc(cc1C(F)(F)F)Cl 271570a_203496583355_100011217955 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.128 Oc1ccc(cc1C(F)(F)F)F 271570a_203496583355_100009813914 [0,2,0,0,0,0|2,0,0]=4 7222 B12R1.195 CC(C)(C#N)c1ccccc1O 271570a_203496583355_100000716882 [0,2,0,0,0,0|0,0,0]=2 7223 B12R1.195 CC(C)(N[13CH3])c1ccccc1Br 2230a_100020606264_200025704644 [0,2,0,0,0,0|1,0,0]=3 7224 B12R1.195 CC(C)(N[13CH3])c1ccccc1Cl 2230a_100020606166_200025704644 [0,2,0,0,0,0|1,0,0]=3 7225 B12R1.195 CC(C)(N[13CH3])c1ccccc1Cl 34a_100020606166_200025704644 [0,2,0,0,0,0|1,0,0]=3 7226 B12R1.195 CC(C)(N[13CH3])c1ccccc1F 2230a_100000734538_200025704644 [0,2,0,0,0,0|1,0,0]=3 7227 B12R1.195 CC(C)(N[13CH3])c1ccccc1F 34a_100000734538_200025704644 [0,2,0,0,0,0|1,0,0]=3 7228 B12R1.195 CC(C)(O[13CH3])c1ccccc1Br 34a_100011346021_200025704644 [0,2,0,0,0,0|1,0,0]=3 7229 B12R1.195 CC(C)(O[13CH3])c1ccccc1Br 7a_100011346021_200025704644 [0,2,0,0,0,0|1,0,0]=3 7230 B12R1.195 CC(C)(O[13CH3])c1ccccc1Cl 34a_100000690508_200025704644 [0,2,0,0,0,0|1,0,0]=3 7231 B12R1.195 CC(C)(O[13CH3])c1ccccc1Cl 7a_100000690508_200025704644 [0,2,0,0,0,0|1,0,0]=3 7232 B12R1.195 CC(C)(O[13CH3])c1ccccc1F 34a_100011345963_200025704644 [0,2,0,0,0,0|1,0,0]=3 7233 B12R1.195 CC(C)(O[13CH3])c1ccccc1F 7a_100011345963_200025704644 [0,2,0,0,0,0|1,0,0]=3 7234 B12R1.195 CC(C)(O[13CH3])c1ccccc1I 34a_100010296449_200025704644 [0,2,0,0,0,0|1,0,0]=3 7235 B12R1.195 CC(C)(O[13CH3])c1ccccc1I 7a_100010296449_200025704644 [0,2,0,0,0,0|1,0,0]=3 7236 B12R1.195 CC(C)(O[13CH3])c1ccccc1N 7a_100000081495_200025704644 [0,2,0,0,0,0|1,0,0]=3 7237 B12R1.195 CC(C)(O[13CH3])c1cccnc1Br 34a_100010080783_200025704644 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.195 CC(C)(O[13CH3])c1cccnc1Br 7a_100010080783_200025704644 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.195 CC(C)(O[13CH3])c1cccnc1F 34a_100000144396_200025704644 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.195 CC(C)(O[13CH3])c1cccnc1F 7a_100000144396_200025704644 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.195 CC(C)(O[13CH3])c1ncccc1Br 7a_200010080787_200025704644 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.195 CNC(C)(C)c1ccccc1Br 2230a_100020606264_200000210301 [0,2,0,0,0,0|1,0,0]=3 7243 B12R1.195 CNC(C)(C)c1ccccc1Cl 2230a_100020606166_200000210301 [0,2,0,0,0,0|1,0,0]=3 7244 B12R1.195 CNC(C)(C)c1ccccc1Cl 34a_100020606166_200000210301 [0,2,0,0,0,0|1,0,0]=3 7245 B12R1.195 CNC(C)(C)c1ccccc1F 2230a_100000734538_200000210301 [0,2,0,0,0,0|1,0,0]=3 7246 B12R1.195 CNC(C)(C)c1ccccc1F 34a_100000734538_200000210301 [0,2,0,0,0,0|1,0,0]=3 7247 B12R1.195 CNC(F)(F)c1ccccc1F 2230a_106832991635_100000070671 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.195 CNC(F)(F)c1ccccc1F 34a_100102657272_100000070671 [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.195 CNC(F)(F)c1ccccc1F 7a_106832991635_100000070671 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.195 COC(C)(C)c1ccccc1Br 34a_100011346021_200000210301 [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.195 COC(C)(C)c1ccccc1Br 7a_100011346021_200000210301 [0,2,0,0,0,0|1,0,0]=3 7253 B12R1.195 COC(C)(C)c1ccccc1Cl 34a_100000690508_200000210301 [0,2,0,0,0,0|1,0,0]=3 7254 B12R1.195 COC(C)(C)c1ccccc1Cl 7a_100000690508_200000210301 [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.195 COC(C)(C)c1ccccc1F 34a_100011345963_200000210301 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.195 COC(C)(C)c1ccccc1F 7a_100011345963_200000210301 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.195 COC(C)(C)c1ccccc1I 34a_100010296449_200000210301 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.195 COC(C)(C)c1ccccc1I 7a_100010296449_200000210301 [0,2,0,0,0,0|1,0,0]=3 7259 B12R1.195 COC(C)(C)c1ccccc1N 7a_100000081495_200000210301 [0,2,0,0,0,0|1,0,0]=3 7260 B12R1.195 COC(C)(C)c1cccnc1Br 34a_100010080783_200000210301 [0,2,0,0,0,0|2,0,0]=4 7261 B12R1.195 COC(C)(C)c1cccnc1Br 7a_100010080783_200000210301 [0,2,0,0,0,0|2,0,0]=4 7262 B12R1.195 COC(C)(C)c1cccnc1F 34a_100000144396_200000210301 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.195 COC(C)(C)c1cccnc1F 7a_100000144396_200000210301 [0,2,0,0,0,0|2,0,0]=4 7264 B12R1.195 COC(C)(C)c1ncccc1Br 7a_200010080787_200000210301 [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.195 COC(F)(F)c1ccccc1F 34a_100138415774_100000070671 [0,2,0,0,0,0|2,0,0]=4 7266 B12R1.195 CSC(F)(F)c1ccccc1F 62a_100000070671_200000210301 [0,2,0,0,0,0|2,0,0]=4 7267 B12R1.195 CSC(F)(F)c1ccccc1F 62a_200000210301_100000070671 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.195 [13CH3]SC(F)(F)c1ccccc1F 62a_100000070671_200025704644 [0,2,0,0,0,0|2,0,0]=4 7269 B12R1.195 [13CH3]SC(F)(F)c1ccccc1F 62a_200025704644_100000070671 [0,2,0,0,0,0|2,0,0]=4 7270 B12R1.228 CC(C)(C)c1cccc(c1O)O 271570a_203496583355_100010083445 [0,2,0,0,0,0|0,0,0]=2 7271 B12R1.228 Nc1cccc(c1O)C(F)(F)F 271570a_203496583355_100009813789 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.228 Oc1c(cccc1C(F)(F)F)Cl 271570a_203496583355_100000049866 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.228 Oc1cccc(c1O)C(F)(F)F 271570a_203496583355_100009888968 [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.228 Oc1cccc(c1O)C(F)(F)F 271570a_203496583355_100010175190 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.1010 Cc1cccc(c1C(F)(F)F)O 271570a_203496583355_100010000452 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.1010 Nc1cccc(c1C(F)(F)F)O 271570a_203496583355_100010175186 [0,2,0,0,0,0|2,0,0]=4 7277 B12R1.1010 Oc1cccc(c1C(F)(F)F)F 271570a_203496583355_100009813774 [0,2,0,0,0,0|2,0,0]=4 7278 B12R1.894 C=C(C)c1c(ccc(c1O)F)C 271570a_100000694244_200010223207 [0,2,0,0,0,0|0,0,2]=4 7279 B12R1.894 C=C(C)c1c(ccc(c1O)F)F 271570a_100000694244_100010170822 [0,2,0,0,0,0|0,0,2]=4 7280 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,2,0,0,0,0|1,0,1]=4 7281 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,2,0,0,0,0|1,0,1]=4 7282 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,2,0,0,0,0|1,0,1]=4 7283 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200000210301 [0,2,0,0,0,0|1,0,1]=4 7284 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,2,0,0,0,0|1,0,1]=4 7285 B12R1.894 CC(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200000210301 [0,2,0,0,0,0|1,0,1]=4 7286 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,2,0,0,0,0|1,0,1]=4 7287 B12R1.894 Oc1c(ccc(c1C(F)F)F)F 271570a_203496583355_100011105901 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,2,0,0,0,0|1,0,1]=4 7289 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,2,0,0,0,0|1,0,1]=4 7290 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)Cl 1458a_100011255222_200025704644 [0,2,0,0,0,0|1,0,1]=4 7291 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,2,0,0,0,0|1,0,1]=4 7292 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)F)F 1458a_100011830443_200025704644 [0,2,0,0,0,0|1,0,1]=4 7293 B12R1.1000 C=C(C)c1c(cc(cc1F)F)O 271570a_100000694244_100009815984 [0,2,0,0,0,0|0,0,2]=4 7294 B12R1.1000 C=C(C)c1c(cc(cc1O)C)C 271570a_100000694244_100010342985 [0,2,0,0,0,0|0,0,2]=4 7295 B12R1.1000 C=C(C)c1c(cc(cc1O)Cl)C 271570a_100000694244_100010254216 [0,2,0,0,0,0|0,0,2]=4 7296 B12R1.1000 C=C(C)c1c(cc(cc1O)O)O 271570a_100000694244_200010341185 [0,2,0,0,0,0|0,0,2]=4 7297 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200000210301 [0,2,0,0,0,0|1,0,1]=4 7298 B12R1.1000 CC(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200000210301 [0,2,0,0,0,0|1,0,1]=4 7299 B12R1.1000 CC(=O)c1c(cc(cc1F)O)O 271570a_203496583355_100010734142 [0,2,0,0,0,0|1,0,1]=4 7300 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,2,0,0,0,0|1,0,1]=4 7301 B12R1.1000 CC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_200000210301 [0,2,0,0,0,0|1,0,1]=4 7302 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,2,0,0,0,0|1,0,1]=4 7303 B12R1.1000 CC(O)c1c(cc(cc1F)O)F 271570a_203496583355_100013396598 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C 2230a_200011806176_200000210301 [0,2,0,0,0,0|2,0,0]=4 7305 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C 269982a_200011806176_200000210301 [0,2,0,0,0,0|2,0,0]=4 7306 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C 34a_200011806176_200000210301 [0,2,0,0,0,0|2,0,0]=4 7307 B12R1.1000 Cc1cc(c(c(c1)C)N(C)[13CH3])C 2230a_200011806176_200025704644 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.1000 Cc1cc(c(c(c1)C)N(C)[13CH3])C 269982a_200011806176_200025704644 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.1000 Cc1cc(c(c(c1)C)N(C)[13CH3])C 34a_200011806176_200025704644 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,2,0,0,0,0|1,0,1]=4 7311 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])O 1458a_100000036929_200025704644 [0,2,0,0,0,0|1,0,1]=4 7312 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,2,0,0,0,0|1,0,1]=4 7313 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)Br)O 1458a_200015963038_200025704644 [0,2,0,0,0,0|1,0,1]=4 7314 B12R1.1000 [13CH3]C(=O)c1c(cc(cc1F)F)O 1458a_100000746385_200025704644 [0,2,0,0,0,0|1,0,1]=4 7315 B12R1.3441 CC(N[13CH3])c1c(cccc1F)F 2230a_100025772709_200025704644 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.3441 CC(N[13CH3])c1c(cccc1F)F 34a_100025772709_200025704644 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.3441 CC(O[13CH3])c1c(cccc1Br)F 34a_100013085324_200025704644 [0,2,0,0,0,0|1,0,0]=3 7318 B12R1.3441 CC(O[13CH3])c1c(cccc1Br)F 7a_100013085324_200025704644 [0,2,0,0,0,0|1,0,0]=3 7319 B12R1.3441 CC(O[13CH3])c1c(cccc1Cl)Cl 34a_100011215154_200025704644 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.3441 CC(O[13CH3])c1c(cccc1Cl)Cl 7a_100011215154_200025704644 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.3441 CC(O[13CH3])c1c(cccc1F)F 34a_100000742607_200025704644 [0,2,0,0,0,0|1,0,0]=3 7322 B12R1.3441 CC(O[13CH3])c1c(cccc1F)F 7a_100000742607_200025704644 [0,2,0,0,0,0|1,0,0]=3 7323 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [0,2,0,0,0,0|1,0,1]=4 7324 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [0,2,0,0,0,0|1,0,1]=4 7325 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [0,2,0,0,0,0|1,0,1]=4 7326 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [0,2,0,0,0,0|1,0,1]=4 7327 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [0,2,0,0,0,0|1,0,1]=4 7328 B12R1.3441 CCN(C)c1c(cccc1C)C 2230a_100011645471_100000210202 [0,2,0,0,0,0|2,0,0]=4 7329 B12R1.3441 CCN(C)c1c(cccc1C)C 269982a_100011645471_100000204670 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.3441 CCN(C)c1c(cccc1C)C 34a_100011645471_100000210202 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.3441 CCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000204670 [0,2,0,0,0,0|2,0,0]=4 7332 B12R1.3441 CCN(C)c1c(cccc1Cl)Cl 34a_100000691019_100000210202 [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.3441 CCN(C)c1c(cccc1F)F 2230a_100000743377_100000210202 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.3441 CCN(C)c1c(cccc1F)F 269982a_100000743377_100000204670 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.3441 CCN(C)c1c(cccc1F)F 34a_100000743377_100000210202 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.3441 CCN(C)c1c(cccc1F)F 38a_100000743377_100000204670 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.3441 CN(CF)c1c(cccc1Cl)Cl 269982a_100000691019_100015361967 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.3441 CN(CF)c1c(cccc1Cl)Cl 34a_100000691019_100015361967 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.3441 CN(CF)c1c(cccc1F)F 269982a_100000743377_100015361967 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.3441 CN(CF)c1c(cccc1F)F 34a_100000743377_100015361967 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.3441 CN(CF)c1c(cccc1F)F 38a_100000743377_100015361967 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [0,2,0,0,0,0|1,0,1]=4 7343 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [0,2,0,0,0,0|1,0,1]=4 7344 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [0,2,0,0,0,0|1,0,1]=4 7345 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [0,2,0,0,0,0|1,0,1]=4 7346 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [0,2,0,0,0,0|1,0,1]=4 7347 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [0,2,0,0,0,0|1,0,1]=4 7348 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [0,2,0,0,0,0|1,0,1]=4 7349 B12R1.3441 CNC(C)c1c(cccc1F)F 2230a_100025772709_200000210301 [0,2,0,0,0,0|1,0,0]=3 7350 B12R1.3441 CNC(C)c1c(cccc1F)F 34a_100025772709_200000210301 [0,2,0,0,0,0|1,0,0]=3 7351 B12R1.3441 CN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_200000210301 [0,2,0,0,0,0|1,0,0]=3 7352 B12R1.3441 CN[C@@H](C)c1c(cccc1C)C 34a_100016987977_200000210301 [0,2,0,0,0,0|1,0,0]=3 7353 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_200000210301 [0,2,0,0,0,0|1,0,0]=3 7354 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_200000210301 [0,2,0,0,0,0|1,0,0]=3 7355 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)F 2230a_100011997870_200000210301 [0,2,0,0,0,0|1,0,0]=3 7356 B12R1.3441 CN[C@H](C)c1c(cccc1Cl)F 34a_100011997870_200000210301 [0,2,0,0,0,0|1,0,0]=3 7357 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [0,2,0,0,0,0|1,0,1]=4 7358 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [0,2,0,0,0,0|1,0,1]=4 7359 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [0,2,0,0,0,0|1,0,1]=4 7360 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [0,2,0,0,0,0|1,0,1]=4 7361 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [0,2,0,0,0,0|1,0,1]=4 7362 B12R1.3441 COC(C)c1c(cccc1Br)F 34a_100013085324_200000210301 [0,2,0,0,0,0|1,0,0]=3 7363 B12R1.3441 COC(C)c1c(cccc1Br)F 7a_100013085324_200000210301 [0,2,0,0,0,0|1,0,0]=3 7364 B12R1.3441 COC(C)c1c(cccc1C)C 34a_200000695261_200000210301 [0,2,0,0,0,0|1,0,0]=3 7365 B12R1.3441 COC(C)c1c(cccc1C)C 7a_200000695261_200000210301 [0,2,0,0,0,0|1,0,0]=3 7366 B12R1.3441 COC(C)c1c(cccc1Cl)Cl 34a_100011215154_200000210301 [0,2,0,0,0,0|1,0,0]=3 7367 B12R1.3441 COC(C)c1c(cccc1Cl)Cl 7a_100011215154_200000210301 [0,2,0,0,0,0|1,0,0]=3 7368 B12R1.3441 COC(C)c1c(cccc1F)F 34a_100000742607_200000210301 [0,2,0,0,0,0|1,0,0]=3 7369 B12R1.3441 COC(C)c1c(cccc1F)F 7a_100000742607_200000210301 [0,2,0,0,0,0|1,0,0]=3 7370 B12R1.3441 CO[C@@H](C)c1c(cncc1Cl)Cl 7a_100016017369_200000210301 [0,2,0,0,0,0|2,0,0]=4 7371 B12R1.3441 CO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_200000210301 [0,2,0,0,0,0|1,0,0]=3 7372 B12R1.3441 CO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_200000210301 [0,2,0,0,0,0|1,0,0]=3 7373 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)Cl 2230a_100016989663_200025704644 [0,2,0,0,0,0|1,0,0]=3 7374 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)Cl 34a_100016989663_200025704644 [0,2,0,0,0,0|1,0,0]=3 7375 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)F 2230a_100011997870_200025704644 [0,2,0,0,0,0|1,0,0]=3 7376 B12R1.3441 C[C@@H](N[13CH3])c1c(cccc1Cl)F 34a_100011997870_200025704644 [0,2,0,0,0,0|1,0,0]=3 7377 B12R1.3441 C[C@@H](O[13CH3])c1c(cccc1Cl)F 34a_200012136785_200025704644 [0,2,0,0,0,0|1,0,0]=3 7378 B12R1.3441 C[C@@H](O[13CH3])c1c(cccc1Cl)F 7a_200012136785_200025704644 [0,2,0,0,0,0|1,0,0]=3 7379 B12R1.3441 C[C@H](O[13CH3])c1c(cncc1Cl)Cl 7a_100016017369_200025704644 [0,2,0,0,0,0|2,0,0]=4 7380 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [0,2,0,0,0,0|1,0,1]=4 7381 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 34a_200000695261_200025704644 [0,2,0,0,0,0|1,0,0]=3 7382 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 7a_200000695261_200025704644 [0,2,0,0,0,0|1,0,0]=3 7383 B12R1.3441 Cc1cccc(c1N(C)CF)C 269982a_100011645471_100015361967 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.3441 Cc1cccc(c1N(C)CF)C 34a_100011645471_100015361967 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.3441 Cc1cccc(c1[C@H](C)N[13CH3])C 2230a_100016987977_200025704644 [0,2,0,0,0,0|1,0,0]=3 7386 B12R1.3441 Cc1cccc(c1[C@H](C)N[13CH3])C 34a_100016987977_200025704644 [0,2,0,0,0,0|1,0,0]=3 7387 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [0,2,0,0,0,0|1,0,1]=4 7388 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [0,2,0,0,0,0|1,0,1]=4 7389 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [0,2,0,0,0,0|1,0,1]=4 7390 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [0,2,0,0,0,0|1,0,1]=4 7391 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 2230a_100015335525_200025704644 [0,2,0,0,0,0|1,0,0]=3 7392 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)Cl 34a_100015335525_200025704644 [0,2,0,0,0,0|1,0,0]=3 7393 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 2230a_100103153465_200025704644 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.24 CC(N[13CH3])c1cccc(c1Cl)F 34a_100103153465_200025704644 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.24 CC(O[13CH3])c1cccc(c1F)Br 34a_200012356376_200025704644 [0,2,0,0,0,0|1,0,0]=3 7396 B12R1.24 CC(O[13CH3])c1cccc(c1F)Br 7a_200012356376_200025704644 [0,2,0,0,0,0|1,0,0]=3 7397 B12R1.24 CC(O[13CH3])c1cccc(c1F)F 34a_100011944069_200025704644 [0,2,0,0,0,0|1,0,0]=3 7398 B12R1.24 CC(O[13CH3])c1cccc(c1F)F 7a_100011944069_200025704644 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [0,2,0,0,0,0|1,0,1]=4 7400 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|1,0,1]=4 7401 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [0,2,0,0,0,0|1,0,1]=4 7402 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [0,2,0,0,0,0|1,0,1]=4 7403 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [0,2,0,0,0,0|1,0,1]=4 7404 B12R1.24 CCN(C)c1cccc(c1C)C 2230a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7405 B12R1.24 CCN(C)c1cccc(c1C)C 269982a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7406 B12R1.24 CCN(C)c1cccc(c1C)C 34a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.24 CCN(C)c1cccc(c1C)C 7a_100000219776_200000210301 [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.24 CCN(C)c1cccc(c1C)Cl 2230a_100020606106_100000210202 [0,2,0,0,0,0|2,0,0]=4 7409 B12R1.24 CCN(C)c1cccc(c1C)Cl 269982a_100020606106_100000204670 [0,2,0,0,0,0|2,0,0]=4 7410 B12R1.24 CCN(C)c1cccc(c1C)Cl 34a_100020606106_100000210202 [0,2,0,0,0,0|2,0,0]=4 7411 B12R1.24 CCN(C)c1cccc(c1C)Cl 38a_100020606106_100000204670 [0,2,0,0,0,0|2,0,0]=4 7412 B12R1.24 CCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000210202 [0,2,0,0,0,0|2,0,0]=4 7413 B12R1.24 CCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000204670 [0,2,0,0,0,0|2,0,0]=4 7414 B12R1.24 CCN(C)c1cccc(c1Cl)Cl 34a_100000742713_100000210202 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.24 CCN(C)c1cccc(c1F)Cl 2230a_100020633735_100000210202 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.24 CCN(C)c1cccc(c1F)Cl 269982a_100020633735_100000204670 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.24 CCN(C)c1cccc(c1F)Cl 34a_100020633735_100000210202 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.24 CCN(C)c1cccc(c1F)Cl 38a_100020633735_100000204670 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.24 CCN([13CH3])c1cccc(c1C)C 2230a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.24 CCN([13CH3])c1cccc(c1C)C 269982a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.24 CCN([13CH3])c1cccc(c1C)C 34a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.24 CCN([13CH3])c1cccc(c1C)C 7a_100000219776_200025704644 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.24 CN(CF)c1cccc(c1Cl)Cl 269982a_100000742713_100015361967 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.24 CN(CF)c1cccc(c1Cl)Cl 34a_100000742713_100015361967 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.24 CN(CF)c1cccc(c1F)Cl 269982a_100020633735_100015361967 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.24 CN(CF)c1cccc(c1F)Cl 34a_100020633735_100015361967 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.24 CN(CF)c1cccc(c1F)Cl 38a_100020633735_100015361967 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [0,2,0,0,0,0|1,0,1]=4 7429 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [0,2,0,0,0,0|1,0,1]=4 7430 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|1,0,1]=4 7431 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|1,0,1]=4 7432 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [0,2,0,0,0,0|1,0,1]=4 7433 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [0,2,0,0,0,0|1,0,1]=4 7434 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [0,2,0,0,0,0|1,0,1]=4 7435 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [0,2,0,0,0,0|1,0,1]=4 7436 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [0,2,0,0,0,0|1,0,1]=4 7437 B12R1.24 CNC(C)c1cccc(c1Br)Cl 269862a_106832991636_100010145520 [0,2,0,0,0,0|1,0,0]=3 7438 B12R1.24 CNC(C)c1cccc(c1Br)F 269862a_106832991636_100012362612 [0,2,0,0,0,0|1,0,0]=3 7439 B12R1.24 CNC(C)c1cccc(c1C)Br 269862a_106832991636_100012706834 [0,2,0,0,0,0|1,0,0]=3 7440 B12R1.24 CNC(C)c1cccc(c1C)C 2230a_106832991635_100012183177 [0,2,0,0,0,0|1,0,0]=3 7441 B12R1.24 CNC(C)c1cccc(c1C)C 269862a_106832991636_100000756305 [0,2,0,0,0,0|1,0,0]=3 7442 B12R1.24 CNC(C)c1cccc(c1C)C 34a_100102657272_100012183177 [0,2,0,0,0,0|1,0,0]=3 7443 B12R1.24 CNC(C)c1cccc(c1C)C 7a_106832991635_100012183177 [0,2,0,0,0,0|1,0,0]=3 7444 B12R1.24 CNC(C)c1cccc(c1C)Cl 269862a_106832991636_100012002460 [0,2,0,0,0,0|1,0,0]=3 7445 B12R1.24 CNC(C)c1cccc(c1C)F 269862a_106832991636_100000061526 [0,2,0,0,0,0|1,0,0]=3 7446 B12R1.24 CNC(C)c1cccc(c1C)I 269862a_106832991636_100010725598 [0,2,0,0,0,0|1,0,0]=3 7447 B12R1.24 CNC(C)c1cccc(c1Cl)Br 269862a_106832991636_100012349481 [0,2,0,0,0,0|1,0,0]=3 7448 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_200000210301 [0,2,0,0,0,0|1,0,0]=3 7449 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 269862a_106832991636_100000756844 [0,2,0,0,0,0|1,0,0]=3 7450 B12R1.24 CNC(C)c1cccc(c1Cl)Cl 34a_100015335525_200000210301 [0,2,0,0,0,0|1,0,0]=3 7451 B12R1.24 CNC(C)c1cccc(c1Cl)F 2230a_100103153465_200000210301 [0,2,0,0,0,0|1,0,0]=3 7452 B12R1.24 CNC(C)c1cccc(c1Cl)F 269862a_106832991636_100000699253 [0,2,0,0,0,0|1,0,0]=3 7453 B12R1.24 CNC(C)c1cccc(c1Cl)F 34a_100103153465_200000210301 [0,2,0,0,0,0|1,0,0]=3 7454 B12R1.24 CNC(C)c1cccc(c1F)Br 269862a_106832991636_100012355707 [0,2,0,0,0,0|1,0,0]=3 7455 B12R1.24 CNC(C)c1cccc(c1F)C 269862a_106832991636_100012182731 [0,2,0,0,0,0|1,0,0]=3 7456 B12R1.24 CNC(C)c1cccc(c1F)Cl 269862a_106832991636_100011830330 [0,2,0,0,0,0|1,0,0]=3 7457 B12R1.24 CNC(C)c1cccc(c1F)F 269862a_106832991636_100000696358 [0,2,0,0,0,0|1,0,0]=3 7458 B12R1.24 CNC(C)c1cccc(c1O)Br 269862a_106832991636_100009815558 [0,2,0,0,0,0|0,0,0]=2 7459 B12R1.24 CNC(C)c1cccc(c1O)C 269862a_106832991636_100009847209 [0,2,0,0,0,0|0,0,0]=2 7460 B12R1.24 CNC(C)c1cccc(c1O)Cl 269862a_106832991636_100000043392 [0,2,0,0,0,0|0,0,0]=2 7461 B12R1.24 CNC(C)c1cccc(c1O)F 269862a_106832991636_100011246037 [0,2,0,0,0,0|0,0,0]=2 7462 B12R1.24 CNC(C)c1nccc(c1F)Cl 269862a_106832991636_100010729024 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 2230a_100020612118_200000210301 [0,2,0,0,0,0|1,0,0]=3 7464 B12R1.24 CN[C@@H](C)c1cccc(c1F)F 34a_100020612118_200000210301 [0,2,0,0,0,0|1,0,0]=3 7465 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 2230a_100016987989_200000210301 [0,2,0,0,0,0|1,0,0]=3 7466 B12R1.24 CN[C@H](C)c1cccc(c1F)Cl 34a_100016987989_200000210301 [0,2,0,0,0,0|1,0,0]=3 7467 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [0,2,0,0,0,0|1,0,1]=4 7468 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|1,0,1]=4 7469 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [0,2,0,0,0,0|1,0,1]=4 7470 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [0,2,0,0,0,0|1,0,1]=4 7471 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [0,2,0,0,0,0|1,0,1]=4 7472 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [0,2,0,0,0,0|1,0,1]=4 7473 B12R1.24 COC(C)c1cccc(c1C)C 34a_100138415774_100012183177 [0,2,0,0,0,0|1,0,0]=3 7474 B12R1.24 COC(C)c1cccc(c1F)Br 34a_200012356376_200000210301 [0,2,0,0,0,0|1,0,0]=3 7475 B12R1.24 COC(C)c1cccc(c1F)Br 7a_200012356376_200000210301 [0,2,0,0,0,0|1,0,0]=3 7476 B12R1.24 COC(C)c1cccc(c1F)F 34a_100011944069_200000210301 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.24 COC(C)c1cccc(c1F)F 7a_100011944069_200000210301 [0,2,0,0,0,0|1,0,0]=3 7478 B12R1.24 COC(C)c1cccc(c1F)O 271570a_203496583355_200010365929 [0,2,0,0,0,0|1,0,0]=3 7479 B12R1.24 CSC(C)c1cccc(c1C)C 62a_100012183177_200000210301 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.24 CSC(C)c1cccc(c1C)C 62a_200000210301_100012183177 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 2230a_100016987989_200025704644 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.24 C[C@@H](N[13CH3])c1cccc(c1F)Cl 34a_100016987989_200025704644 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 2230a_100020612118_200025704644 [0,2,0,0,0,0|1,0,0]=3 7484 B12R1.24 C[C@H](N[13CH3])c1cccc(c1F)F 34a_100020612118_200025704644 [0,2,0,0,0,0|1,0,0]=3 7485 B12R1.24 Cc1c(cccc1N(C)CF)Cl 269982a_100020606106_100015361967 [0,2,0,0,0,0|2,0,0]=4 7486 B12R1.24 Cc1c(cccc1N(C)CF)Cl 34a_100020606106_100015361967 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.24 Cc1c(cccc1N(C)CF)Cl 38a_100020606106_100015361967 [0,2,0,0,0,0|2,0,0]=4 7488 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_100012183177_200025704644 [0,2,0,0,0,0|1,0,0]=3 7489 B12R1.24 Cc1cccc(c1C)C(C)S[13CH3] 62a_200025704644_100012183177 [0,2,0,0,0,0|1,0,0]=3 7490 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|1,0,1]=4 7491 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [0,2,0,0,0,0|1,0,1]=4 7492 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [0,2,0,0,0,0|1,0,1]=4 7493 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [0,2,0,0,0,0|1,0,1]=4 7494 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [0,2,0,0,0,0|1,0,1]=4 7495 B12R1.440 C=C(C)c1cccc(c1O)C#N 271570a_100000694244_100009817103 [0,2,0,0,0,0|0,0,2]=4 7496 B12R1.440 C=C(C)c1cccc(c1O)C=O 271570a_100000694244_100000737635 [0,2,0,0,0,0|0,0,2]=4 7497 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,2,0,0,0,0|0,0,2]=4 7498 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,2,0,0,0,0|0,0,2]=4 7499 B12R1.440 C=Cc1cccc(c1F)C(C)O 271570a_100011290941_200012356376 [0,2,0,0,0,0|2,0,0]=4 7500 B12R1.440 C=Cc1cccc(c1N)C(C)C 271570a_100011290941_100010571509 [0,2,0,0,0,0|1,0,0]=3 7501 B12R1.440 C=Cc1cccc(c1O)C(=O)C 271570a_100011290941_100009815558 [0,2,0,0,0,0|1,0,1]=4 7502 B12R1.440 CC(=O)c1cccc(c1O)C#N 1458a_100009886288_200000210301 [0,2,0,0,0,0|1,0,1]=4 7503 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 34a_100021981578_200025704644 [0,2,0,0,0,0|1,0,0]=3 7504 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 7a_100021981578_200025704644 [0,2,0,0,0,0|1,0,0]=3 7505 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_100010571509_200025704644 [0,2,0,0,0,0|1,0,0]=3 7506 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_200025704644_100010571509 [0,2,0,0,0,0|1,0,0]=3 7507 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200012356376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200025704644_200012356376 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.440 CNc1cccc(c1F)C(C)C 34a_100021981578_200000210301 [0,2,0,0,0,0|1,0,0]=3 7510 B12R1.440 CNc1cccc(c1F)C(C)C 7a_100021981578_200000210301 [0,2,0,0,0,0|1,0,0]=3 7511 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,2,0,0,0,0|1,0,1]=4 7512 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,2,0,0,0,0|1,0,1]=4 7513 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200000210301_200012356376 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200012356376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.440 CSc1cccc(c1N)C(C)C 62a_100010571509_200000210301 [0,2,0,0,0,0|1,0,0]=3 7516 B12R1.440 CSc1cccc(c1N)C(C)C 62a_200000210301_100010571509 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.440 [13CH3]C(=O)c1cccc(c1O)C#N 1458a_100009886288_200025704644 [0,2,0,0,0,0|1,0,1]=4 7518 B12R1.511 C=C(C)c1cc(cc(c1O)Br)F 271570a_100000694244_200013085147 [0,2,0,0,0,0|0,0,2]=4 7519 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,2,0,0,0,0|0,0,2]=4 7520 B12R1.511 C=C(C)c1cc(cc(c1O)C)Cl 271570a_100000694244_100012343667 [0,2,0,0,0,0|0,0,2]=4 7521 B12R1.511 C=C(C)c1cc(cc(c1O)C)N 271570a_100000694244_100010064301 [0,2,0,0,0,0|0,0,2]=4 7522 B12R1.511 C=C(C)c1cc(cc(c1O)Cl)Cl 271570a_100000694244_200012339341 [0,2,0,0,0,0|0,0,2]=4 7523 B12R1.511 C=C(C)c1cc(cc(c1O)F)Br 271570a_100000694244_100013354677 [0,2,0,0,0,0|0,0,2]=4 7524 B12R1.511 C=C(C)c1cc(cc(c1O)F)C 271570a_100000694244_200135191068 [0,2,0,0,0,0|0,0,2]=4 7525 B12R1.511 C=C(C)c1cc(cc(c1O)F)F 271570a_100000694244_100000688693 [0,2,0,0,0,0|0,0,2]=4 7526 B12R1.511 C=C(C)c1cc(cc(c1O)N)F 271570a_100000694244_200011217456 [0,2,0,0,0,0|0,0,2]=4 7527 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,2,0,0,0,0|1,0,1]=4 7528 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,2,0,0,0,0|1,0,1]=4 7529 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,2,0,0,0,0|1,0,1]=4 7530 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,2,0,0,0,0|1,0,1]=4 7531 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,2,0,0,0,0|1,0,1]=4 7532 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,2,0,0,0,0|1,0,1]=4 7533 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,2,0,0,0,0|1,0,1]=4 7534 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,2,0,0,0,0|1,0,1]=4 7535 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,2,0,0,0,0|1,0,1]=4 7536 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,2,0,0,0,0|1,0,1]=4 7537 B12R1.511 CC(C)c1cc(cc(c1N)O)F 271570a_203496583355_202125602415 [0,2,0,0,0,0|1,0,0]=3 7538 B12R1.511 Cc1cc(c(c(n1)O)C)C(C)C 271570a_203496583355_202495333933 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,2,0,0,0,0|1,0,1]=4 7540 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,2,0,0,0,0|1,0,1]=4 7541 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,2,0,0,0,0|1,0,1]=4 7542 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,2,0,0,0,0|1,0,1]=4 7543 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,2,0,0,0,0|1,0,1]=4 7544 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,2,0,0,0,0|1,0,1]=4 7545 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,2,0,0,0,0|1,0,1]=4 7546 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,2,0,0,0,0|1,0,1]=4 7547 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,2,0,0,0,0|1,0,1]=4 7548 B12R1.893 C=C(C)c1ccc(c(c1O)C)F 271570a_100000694244_200010391124 [0,2,0,0,0,0|0,0,2]=4 7549 B12R1.893 C=C(C)c1ccc(c(c1O)F)C 271570a_100000694244_100000722096 [0,2,0,0,0,0|0,0,2]=4 7550 B12R1.893 C=C(C)c1ccc(c(c1O)F)F 271570a_100000694244_100010243909 [0,2,0,0,0,0|0,0,2]=4 7551 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,2,0,0,0,0|1,0,1]=4 7552 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,2,0,0,0,0|1,0,1]=4 7553 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,2,0,0,0,0|1,0,1]=4 7554 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,2,0,0,0,0|1,0,1]=4 7555 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,2,0,0,0,0|1,0,1]=4 7556 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,2,0,0,0,0|1,0,1]=4 7557 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,2,0,0,0,0|1,0,1]=4 7558 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,2,0,0,0,0|1,0,1]=4 7559 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,2,0,0,0,0|1,0,1]=4 7560 B12R1.232 C=C(C)c1cc(c(cc1O)C)C 271570a_100000694244_100009814663 [0,2,0,0,0,0|0,0,2]=4 7561 B12R1.232 C=C(C)c1cc(c(cc1O)F)F 271570a_100000694244_100009813768 [0,2,0,0,0,0|0,0,2]=4 7562 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,2,0,0,0,0|1,0,1]=4 7563 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,2,0,0,0,0|1,0,1]=4 7564 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,2,0,0,0,0|1,0,1]=4 7565 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,2,0,0,0,0|1,0,1]=4 7566 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,2,0,0,0,0|1,0,1]=4 7567 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,2,0,0,0,0|1,0,1]=4 7568 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,2,0,0,0,0|1,0,1]=4 7569 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,2,0,0,0,0|1,0,1]=4 7570 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,2,0,0,0,0|1,0,1]=4 7571 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,2,0,0,0,0|1,0,1]=4 7572 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,2,0,0,0,0|1,0,1]=4 7573 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|1,0,1]=4 7574 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,2,0,0,0,0|1,0,1]=4 7575 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,2,0,0,0,0|1,0,1]=4 7576 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,2,0,0,0,0|1,0,1]=4 7577 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,2,0,0,0,0|1,0,1]=4 7578 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,2,0,0,0,0|1,0,1]=4 7579 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,2,0,0,0,0|1,0,1]=4 7580 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,2,0,0,0,0|1,0,1]=4 7581 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,2,0,0,0,0|1,0,1]=4 7582 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,2,0,0,0,0|1,0,1]=4 7583 B12R1.452 C=C(C)c1ccc(cc1O)C#N 271570a_100000694244_100000724445 [0,2,0,0,0,0|0,0,2]=4 7584 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,2,0,0,0,0|0,0,2]=4 7585 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,2,0,0,0,0|0,0,2]=4 7586 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,2,0,0,0,0|0,0,2]=4 7587 B12R1.452 C=Cc1ccc(c(c1)F)C(C)N 271570a_100011290941_100000730447 [0,2,0,0,0,0|2,0,0]=4 7588 B12R1.452 C=Cc1ccc(c(c1)N)N(C)C 271570a_100011290941_100000737018 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,2,0,0,0,0|1,0,1]=4 7590 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_100000730447_200025704644 [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000730447 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.452 CN(C)c1ccc(cc1Cl)N[13CH3] 34a_100000742791_200025704644 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.452 CN(C)c1ccc(cc1F)N[13CH3] 34a_100011248830_200025704644 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.452 CN(C)c1ccc(cc1I)C#N 269982a_200020994358_200000210301 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_100000737018_200025704644 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_200025704644_100000737018 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [0,2,0,0,0,0|1,0,0]=3 7598 B12R1.452 CN([13CH3])c1ccc(cc1I)C#N 269982a_200020994358_200025704644 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.452 CNc1ccc(c(c1)C)C(C)C 2230a_100000005830_200000210301 [0,2,0,0,0,0|1,0,0]=3 7600 B12R1.452 CNc1ccc(c(c1)C)C(C)C 34a_100000005830_200000210301 [0,2,0,0,0,0|1,0,0]=3 7601 B12R1.452 CNc1ccc(c(c1)C)C(C)C 7a_100000005830_200000210301 [0,2,0,0,0,0|1,0,0]=3 7602 B12R1.452 CNc1ccc(c(c1)C)N(C)C 34a_100000738307_200000210301 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.452 CNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_200000210301 [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.452 CNc1ccc(c(c1)F)N(C)C 34a_100011248830_200000210301 [0,2,0,0,0,0|2,0,0]=4 7605 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,2,0,0,0,0|1,0,0]=3 7606 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,2,0,0,0,0|1,0,0]=3 7607 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,2,0,0,0,0|1,0,1]=4 7616 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,2,0,0,0,0|1,0,1]=4 7617 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,2,0,0,0,0|1,0,1]=4 7618 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,2,0,0,0,0|1,0,0]=3 7619 B12R1.452 COc1ccc(c(c1)O)C(F)F 271570a_203496583355_100010189948 [0,2,0,0,0,0|2,0,0]=4 7620 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_100000730447_200000210301 [0,2,0,0,0,0|2,0,0]=4 7621 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_200000210301_100000730447 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_100000737018_200000210301 [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_200000210301_100000737018 [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 2230a_100000005830_200025704644 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 34a_100000005830_200025704644 [0,2,0,0,0,0|1,0,0]=3 7626 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 7a_100000005830_200025704644 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,2,0,0,0,0|1,0,0]=3 7628 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,2,0,0,0,0|1,0,0]=3 7629 B12R1.452 Cc1cc(ccc1N(C)C)N[13CH3] 34a_100000738307_200025704644 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100000179772_200025704644 [0,2,0,0,0,0|1,0,0]=3 7631 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 34a_100000179772_200025704644 [0,2,0,0,0,0|1,0,0]=3 7632 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 2230a_100000730447_200025704644 [0,2,0,0,0,0|1,0,0]=3 7633 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 34a_100000730447_200025704644 [0,2,0,0,0,0|1,0,0]=3 7634 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 2230a_100000181410_200025704644 [0,2,0,0,0,0|1,0,0]=3 7635 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 34a_100000181410_200025704644 [0,2,0,0,0,0|1,0,0]=3 7636 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 34a_100000743050_200025704644 [0,2,0,0,0,0|1,0,0]=3 7637 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 7a_100000743050_200025704644 [0,2,0,0,0,0|1,0,0]=3 7638 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 34a_200011245020_200025704644 [0,2,0,0,0,0|1,0,0]=3 7639 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 7a_200011245020_200025704644 [0,2,0,0,0,0|1,0,0]=3 7640 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 34a_200011805215_200025704644 [0,2,0,0,0,0|1,0,0]=3 7641 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 7a_200011805215_200025704644 [0,2,0,0,0,0|1,0,0]=3 7642 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 34a_200000246518_200025704644 [0,2,0,0,0,0|1,0,0]=3 7643 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 7a_200000246518_200025704644 [0,2,0,0,0,0|1,0,0]=3 7644 B12R1.1703 CC(O[13CH3])c1ccc(nc1Cl)Cl 34a_100010751269_200025704644 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.1703 CC(O[13CH3])c1ccc(nc1Cl)Cl 7a_100010751269_200025704644 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [0,2,0,0,0,0|1,0,1]=4 7647 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,2,0,0,0,0|1,0,1]=4 7648 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,2,0,0,0,0|1,0,1]=4 7649 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [0,2,0,0,0,0|1,0,1]=4 7650 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [0,2,0,0,0,0|1,0,1]=4 7651 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [0,2,0,0,0,0|1,0,1]=4 7652 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [0,2,0,0,0,0|1,0,1]=4 7653 B12R1.1703 CCN(C)c1ccc(cc1Br)Br 269982a_200000221195_100000204670 [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.1703 CCN(C)c1ccc(cc1Br)Br 34a_200000221195_100000210202 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.1703 CCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000210202 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.1703 CCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000204670 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.1703 CCN(C)c1ccc(cc1Br)C 34a_100000221369_100000210202 [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.1703 CCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000204670 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.1703 CCN(C)c1ccc(cc1Br)Cl 34a_100020633009_100000210202 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.1703 CCN(C)c1ccc(cc1Br)F 269982a_100011246292_100000204670 [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.1703 CCN(C)c1ccc(cc1Br)F 34a_100011246292_100000210202 [0,2,0,0,0,0|2,0,0]=4 7662 B12R1.1703 CCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000210202 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.1703 CCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000204670 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.1703 CCN(C)c1ccc(cc1C)Br 34a_100000221803_100000210202 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210202 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000204670 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000210202 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.1703 CCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000204670 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.1703 CCN(C)c1ccc(cc1C)F 2230a_100000221679_200000210301 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.1703 CCN(C)c1ccc(cc1C)F 269982a_100000221679_200000210301 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.1703 CCN(C)c1ccc(cc1C)F 34a_100000221679_200000210301 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.1703 CCN(C)c1ccc(cc1C)F 7a_100000221679_200000210301 [0,2,0,0,0,0|2,0,0]=4 7673 B12R1.1703 CCN(C)c1ccc(cc1C)O 269982a_100161107805_100000204670 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.1703 CCN(C)c1ccc(cc1C)O 34a_100161107805_100000210202 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.1703 CCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000204670 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.1703 CCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100000210202 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 269982a_100160557746_200000210301 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000204670 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 34a_100160557746_200000210301 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000210202 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.1703 CCN(C)c1ccc(cc1F)Br 2230a_100000743884_100000210202 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.1703 CCN(C)c1ccc(cc1F)Br 269982a_100000743884_100000204670 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.1703 CCN(C)c1ccc(cc1F)Br 34a_100000743884_100000210202 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.1703 CCN(C)c1ccc(cc1F)F 2230a_100020633734_100000210202 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.1703 CCN(C)c1ccc(cc1F)F 269982a_100020633734_100000204670 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.1703 CCN(C)c1ccc(cc1F)F 34a_100020633734_100000210202 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.1703 CCN(C)c1ccc(cc1F)F 38a_100020633734_100000204670 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.1703 CCN(C)c1ccc(cc1F)I 269982a_114948340911_100000204670 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.1703 CCN(C)c1ccc(cc1F)I 34a_114948340911_100000210202 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.1703 CCN(C)c1ccc(cc1F)I 38a_114948340911_100000204670 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 2230a_100000221679_200025704644 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 269982a_100000221679_200025704644 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 34a_100000221679_200025704644 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.1703 CCN([13CH3])c1ccc(cc1C)F 7a_100000221679_200025704644 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.1703 CCN([13CH3])c1ccc(cc1Cl)Cl 269982a_100160557746_200025704644 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.1703 CCN([13CH3])c1ccc(cc1Cl)Cl 34a_100160557746_200025704644 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.1703 CN(CF)c1ccc(cc1Br)Br 269982a_200000221195_100015361967 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.1703 CN(CF)c1ccc(cc1Br)Br 34a_200000221195_100015361967 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.1703 CN(CF)c1ccc(cc1Br)Cl 269982a_100020633009_100015361967 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.1703 CN(CF)c1ccc(cc1Br)Cl 34a_100020633009_100015361967 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.1703 CN(CF)c1ccc(cc1Br)F 269982a_100011246292_100015361967 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.1703 CN(CF)c1ccc(cc1Br)F 34a_100011246292_100015361967 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.1703 CN(CF)c1ccc(cc1Cl)Br 269982a_100000221650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.1703 CN(CF)c1ccc(cc1Cl)Br 34a_100000221650_100015361967 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.1703 CN(CF)c1ccc(cc1Cl)Cl 269982a_114849113696_100015361967 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.1703 CN(CF)c1ccc(cc1Cl)Cl 34a_114849113696_100015361967 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.1703 CN(CF)c1ccc(cc1F)Br 269982a_100000743884_100015361967 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.1703 CN(CF)c1ccc(cc1F)Br 34a_100000743884_100015361967 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.1703 CN(CF)c1ccc(cc1F)F 269982a_100020633734_100015361967 [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.1703 CN(CF)c1ccc(cc1F)F 34a_100020633734_100015361967 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.1703 CN(CF)c1ccc(cc1F)F 38a_100020633734_100015361967 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.1703 CN(CF)c1ccc(cc1F)I 269982a_114948340911_100015361967 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.1703 CN(CF)c1ccc(cc1F)I 34a_114948340911_100015361967 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.1703 CN(CF)c1ccc(cc1F)I 38a_114948340911_100015361967 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [0,2,0,0,0,0|1,0,1]=4 7716 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [0,2,0,0,0,0|1,0,1]=4 7717 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,2,0,0,0,0|1,0,1]=4 7718 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,2,0,0,0,0|1,0,1]=4 7719 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,2,0,0,0,0|1,0,1]=4 7720 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [0,2,0,0,0,0|1,0,1]=4 7721 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [0,2,0,0,0,0|1,0,1]=4 7722 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [0,2,0,0,0,0|1,0,1]=4 7723 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [0,2,0,0,0,0|1,0,1]=4 7724 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [0,2,0,0,0,0|1,0,1]=4 7725 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [0,2,0,0,0,0|1,0,1]=4 7726 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [0,2,0,0,0,0|1,0,1]=4 7727 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [0,2,0,0,0,0|1,0,1]=4 7728 B12R1.1703 CNC(C)c1ccc(cc1Br)Br 269862a_106832991636_100000183147 [0,2,0,0,0,0|1,0,0]=3 7729 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [0,2,0,0,0,0|1,0,0]=3 7730 B12R1.1703 CNC(C)c1ccc(cc1Br)Cl 269862a_106832991636_100011934292 [0,2,0,0,0,0|1,0,0]=3 7731 B12R1.1703 CNC(C)c1ccc(cc1Br)F 269862a_106832991636_100000686192 [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.1703 CNC(C)c1ccc(cc1C)Br 269862a_106832991636_100012360112 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [0,2,0,0,0,0|1,0,0]=3 7734 B12R1.1703 CNC(C)c1ccc(cc1C)Cl 269862a_106832991636_100011998434 [0,2,0,0,0,0|1,0,0]=3 7735 B12R1.1703 CNC(C)c1ccc(cc1C)F 269862a_106832991636_100000753884 [0,2,0,0,0,0|1,0,0]=3 7736 B12R1.1703 CNC(C)c1ccc(cc1Cl)Br 269862a_106832991636_100000693907 [0,2,0,0,0,0|1,0,0]=3 7737 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_200000210301 [0,2,0,0,0,0|1,0,0]=3 7738 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 269862a_106832991636_100000210972 [0,2,0,0,0,0|1,0,0]=3 7739 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_200000210301 [0,2,0,0,0,0|1,0,0]=3 7740 B12R1.1703 CNC(C)c1ccc(cc1Cl)F 269862a_106832991636_100000214953 [0,2,0,0,0,0|1,0,0]=3 7741 B12R1.1703 CNC(C)c1ccc(cc1F)Br 2230a_100000730447_200000210301 [0,2,0,0,0,0|1,0,0]=3 7742 B12R1.1703 CNC(C)c1ccc(cc1F)Br 269862a_106832991636_100000690205 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.1703 CNC(C)c1ccc(cc1F)Br 34a_100000730447_200000210301 [0,2,0,0,0,0|1,0,0]=3 7744 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [0,2,0,0,0,0|1,0,0]=3 7745 B12R1.1703 CNC(C)c1ccc(cc1F)Cl 269862a_106832991636_100011805184 [0,2,0,0,0,0|1,0,0]=3 7746 B12R1.1703 CNC(C)c1ccc(cc1F)F 2230a_100000181410_200000210301 [0,2,0,0,0,0|1,0,0]=3 7747 B12R1.1703 CNC(C)c1ccc(cc1F)F 269862a_106832991636_100000185200 [0,2,0,0,0,0|1,0,0]=3 7748 B12R1.1703 CNC(C)c1ccc(cc1F)F 34a_100000181410_200000210301 [0,2,0,0,0,0|1,0,0]=3 7749 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,2,0,0,0,0|0,0,0]=2 7750 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,2,0,0,0,0|0,0,0]=2 7751 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,2,0,0,0,0|0,0,0]=2 7752 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,2,0,0,0,0|0,0,0]=2 7753 B12R1.1703 CNC(C)c1cnc(cc1Cl)Cl 269862a_106832991636_100000699909 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.1703 CNC(C)c1ncc(cc1Br)Cl 269862a_106832991636_100010135484 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.1703 CNC(C)c1ncc(cc1Br)Cl 270004a_106832991635_100010135484 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.1703 CNC(C)c1ncc(cc1Cl)Br 269862a_106832991636_100010136371 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.1703 CNC(C)c1ncc(cc1Cl)Br 270004a_106832991635_100010136371 [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.1703 CNC(C)c1ncc(cc1Cl)Cl 269862a_106832991636_100012184579 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.1703 CNC(C)c1ncc(cc1Cl)Cl 270004a_106832991635_100012184579 [0,2,0,0,0,0|2,0,0]=4 7760 B12R1.1703 CNC(C)c1ncc(cc1F)Br 269862a_106832991636_100000696590 [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.1703 CNC(C)c1ncc(cc1F)Cl 269862a_106832991636_100009855508 [0,2,0,0,0,0|2,0,0]=4 7762 B12R1.1703 CNC(C)c1ncc(cc1F)F 269862a_106832991636_100000116687 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [0,2,0,0,0,0|1,0,0]=3 7764 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [0,2,0,0,0,0|1,0,0]=3 7765 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_200000210301 [0,2,0,0,0,0|1,0,0]=3 7766 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_200000210301 [0,2,0,0,0,0|1,0,0]=3 7767 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_200000210301 [0,2,0,0,0,0|1,0,0]=3 7768 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_200000210301 [0,2,0,0,0,0|1,0,0]=3 7769 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_200000210301 [0,2,0,0,0,0|1,0,0]=3 7770 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_200000210301 [0,2,0,0,0,0|1,0,0]=3 7771 B12R1.1703 CN[C@H](C)c1ncc(cc1Cl)Cl 2230a_100012001814_200000210301 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [0,2,0,0,0,0|1,0,1]=4 7773 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,2,0,0,0,0|1,0,1]=4 7774 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [0,2,0,0,0,0|1,0,1]=4 7775 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [0,2,0,0,0,0|1,0,1]=4 7776 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [0,2,0,0,0,0|1,0,1]=4 7777 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [0,2,0,0,0,0|1,0,1]=4 7778 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [0,2,0,0,0,0|1,0,1]=4 7779 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [0,2,0,0,0,0|1,0,0]=3 7780 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [0,2,0,0,0,0|1,0,0]=3 7781 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 34a_100000743050_200000210301 [0,2,0,0,0,0|1,0,0]=3 7782 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 7a_100000743050_200000210301 [0,2,0,0,0,0|1,0,0]=3 7783 B12R1.1703 COC(C)c1ccc(cc1Cl)F 34a_200011245020_200000210301 [0,2,0,0,0,0|1,0,0]=3 7784 B12R1.1703 COC(C)c1ccc(cc1Cl)F 7a_200011245020_200000210301 [0,2,0,0,0,0|1,0,0]=3 7785 B12R1.1703 COC(C)c1ccc(cc1F)Cl 34a_200011805215_200000210301 [0,2,0,0,0,0|1,0,0]=3 7786 B12R1.1703 COC(C)c1ccc(cc1F)Cl 7a_200011805215_200000210301 [0,2,0,0,0,0|1,0,0]=3 7787 B12R1.1703 COC(C)c1ccc(cc1F)F 34a_200000246518_200000210301 [0,2,0,0,0,0|1,0,0]=3 7788 B12R1.1703 COC(C)c1ccc(cc1F)F 7a_200000246518_200000210301 [0,2,0,0,0,0|1,0,0]=3 7789 B12R1.1703 COC(C)c1ccc(nc1Cl)Cl 34a_100010751269_200000210301 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.1703 COC(C)c1ccc(nc1Cl)Cl 7a_100010751269_200000210301 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 2230a_100025704064_200025704644 [0,2,0,0,0,0|1,0,0]=3 7792 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 34a_100025704064_200025704644 [0,2,0,0,0,0|1,0,0]=3 7793 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 2230a_100015196781_200025704644 [0,2,0,0,0,0|1,0,0]=3 7794 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 34a_100015196781_200025704644 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.1703 C[C@@H](N[13CH3])c1ncc(cc1Cl)Cl 2230a_100012001814_200025704644 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.1703 Cc1cc(ccc1N(C)CF)Br 269982a_100000221803_100015361967 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.1703 Cc1cc(ccc1N(C)CF)Br 34a_100000221803_100015361967 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.1703 Cc1cc(ccc1N(C)CF)Cl 269982a_114849113698_100015361967 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.1703 Cc1cc(ccc1N(C)CF)Cl 34a_114849113698_100015361967 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.1703 Cc1cc(ccc1N(C)CF)Cl 38a_114849113698_100015361967 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.1703 Cc1cc(ccc1N(C)CF)O 269982a_100161107805_100015361967 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.1703 Cc1cc(ccc1N(C)CF)O 34a_100161107805_100015361967 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 2230a_100020633667_200025704644 [0,2,0,0,0,0|1,0,0]=3 7804 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 34a_100020633667_200025704644 [0,2,0,0,0,0|1,0,0]=3 7805 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.1703 Cc1ccc(c(c1)Br)N(C)CF 269982a_100000221369_100015361967 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.1703 Cc1ccc(c(c1)Br)N(C)CF 34a_100000221369_100015361967 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [0,2,0,0,0,0|1,0,0]=3 7809 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [0,2,0,0,0,0|1,0,0]=3 7810 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [0,2,0,0,0,0|1,0,0]=3 7811 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [0,2,0,0,0,0|1,0,0]=3 7812 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,2,0,0,0,0|1,0,1]=4 7813 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [0,2,0,0,0,0|1,0,1]=4 7814 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [0,2,0,0,0,0|1,0,1]=4 7815 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [0,2,0,0,0,0|1,0,1]=4 7816 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [0,2,0,0,0,0|1,0,1]=4 7817 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [0,2,0,0,0,0|1,0,1]=4 7818 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 2230a_100012343209_200025704644 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.354 CC(N[13CH3])c1cc(ccc1Br)F 34a_100012343209_200025704644 [0,2,0,0,0,0|1,0,0]=3 7820 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 2230a_100000737532_200025704644 [0,2,0,0,0,0|1,0,0]=3 7821 B12R1.354 CC(N[13CH3])c1cc(ccc1Cl)Cl 34a_100000737532_200025704644 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 2230a_100000737541_200025704644 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.354 CC(N[13CH3])c1cc(ccc1F)F 34a_100000737541_200025704644 [0,2,0,0,0,0|1,0,0]=3 7824 B12R1.354 CC(O[13CH3])c1cc(ccc1Cl)Cl 34a_100000742519_200025704644 [0,2,0,0,0,0|1,0,0]=3 7825 B12R1.354 CC(O[13CH3])c1cc(ccc1Cl)Cl 7a_100000742519_200025704644 [0,2,0,0,0,0|1,0,0]=3 7826 B12R1.354 CC(O[13CH3])c1cc(ccc1F)Br 34a_100011943926_200025704644 [0,2,0,0,0,0|1,0,0]=3 7827 B12R1.354 CC(O[13CH3])c1cc(ccc1F)Br 7a_100011943926_200025704644 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.354 CC(O[13CH3])c1cc(ccc1F)F 34a_100000246540_200025704644 [0,2,0,0,0,0|1,0,0]=3 7829 B12R1.354 CC(O[13CH3])c1cc(ccc1F)F 7a_100000246540_200025704644 [0,2,0,0,0,0|1,0,0]=3 7830 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,2,0,0,0,0|1,0,1]=4 7831 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|1,0,1]=4 7832 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,2,0,0,0,0|1,0,1]=4 7833 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,2,0,0,0,0|1,0,1]=4 7834 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,2,0,0,0,0|1,0,1]=4 7835 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,2,0,0,0,0|1,0,1]=4 7836 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,2,0,0,0,0|1,0,1]=4 7837 B12R1.354 CCN(C)c1cc(ccc1Br)Cl 269982a_100020633006_100000204670 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.354 CCN(C)c1cc(ccc1Br)Cl 34a_100020633006_100000210202 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.354 CCN(C)c1cc(ccc1Br)F 2230a_100020633008_100000210202 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.354 CCN(C)c1cc(ccc1Br)F 269982a_100020633008_100000204670 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.354 CCN(C)c1cc(ccc1Br)F 34a_100020633008_100000210202 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.354 CCN(C)c1cc(ccc1C)Br 2230a_100020629602_100000210202 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.354 CCN(C)c1cc(ccc1C)Br 269982a_100020629602_100000204670 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.354 CCN(C)c1cc(ccc1C)Br 34a_100020629602_100000210202 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.354 CCN(C)c1cc(ccc1C)Br 38a_100020629602_100000204670 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.354 CCN(C)c1cc(ccc1C)C 2230a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.354 CCN(C)c1cc(ccc1C)C 269982a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.354 CCN(C)c1cc(ccc1C)C 34a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.354 CCN(C)c1cc(ccc1C)C 7a_100000743043_200000210301 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.354 CCN(C)c1cc(ccc1C)Cl 2230a_100000221440_100000210202 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.354 CCN(C)c1cc(ccc1C)Cl 269982a_100000221440_100000204670 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.354 CCN(C)c1cc(ccc1C)Cl 34a_100000221440_100000210202 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.354 CCN(C)c1cc(ccc1C)Cl 38a_100000221440_100000204670 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.354 CCN(C)c1cc(ccc1C)F 2230a_114849113390_100000210202 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.354 CCN(C)c1cc(ccc1C)F 269982a_114849113390_100000204670 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.354 CCN(C)c1cc(ccc1C)F 34a_114849113390_100000210202 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.354 CCN(C)c1cc(ccc1C)F 38a_114849113390_100000204670 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.354 CCN(C)c1cc(ccc1C)O 269982a_100000211784_200000210301 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.354 CCN(C)c1cc(ccc1C)O 34a_100000211784_200000210301 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.354 CCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000204670 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.354 CCN(C)c1cc(ccc1Cl)Br 34a_100011772073_100000210202 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.354 CCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000204670 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.354 CCN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100000210202 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.354 CCN(C)c1cc(ccc1F)Br 2230a_100011314990_100000210202 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.354 CCN(C)c1cc(ccc1F)Br 269982a_100011314990_100000204670 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.354 CCN(C)c1cc(ccc1F)Br 34a_100011314990_100000210202 [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.354 CCN(C)c1cc(ccc1F)Br 38a_100011314990_100000204670 [0,2,0,0,0,0|2,0,0]=4 7868 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 2230a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7869 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 269982a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7870 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 34a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7871 B12R1.354 CCN([13CH3])c1cc(ccc1C)C 7a_100000743043_200025704644 [0,2,0,0,0,0|2,0,0]=4 7872 B12R1.354 CCN([13CH3])c1cc(ccc1C)O 269982a_100000211784_200025704644 [0,2,0,0,0,0|2,0,0]=4 7873 B12R1.354 CCN([13CH3])c1cc(ccc1C)O 34a_100000211784_200025704644 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.354 CN(CF)c1cc(ccc1Br)Cl 269982a_100020633006_100015361967 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.354 CN(CF)c1cc(ccc1Br)Cl 34a_100020633006_100015361967 [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.354 CN(CF)c1cc(ccc1Br)F 269982a_100020633008_100015361967 [0,2,0,0,0,0|2,0,0]=4 7877 B12R1.354 CN(CF)c1cc(ccc1Br)F 34a_100020633008_100015361967 [0,2,0,0,0,0|2,0,0]=4 7878 B12R1.354 CN(CF)c1cc(ccc1Cl)Br 269982a_100011772073_100015361967 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.354 CN(CF)c1cc(ccc1Cl)Br 34a_100011772073_100015361967 [0,2,0,0,0,0|2,0,0]=4 7880 B12R1.354 CN(CF)c1cc(ccc1Cl)Cl 269982a_100000742562_100015361967 [0,2,0,0,0,0|2,0,0]=4 7881 B12R1.354 CN(CF)c1cc(ccc1Cl)Cl 34a_100000742562_100015361967 [0,2,0,0,0,0|2,0,0]=4 7882 B12R1.354 CN(CF)c1cc(ccc1F)Br 269982a_100011314990_100015361967 [0,2,0,0,0,0|2,0,0]=4 7883 B12R1.354 CN(CF)c1cc(ccc1F)Br 34a_100011314990_100015361967 [0,2,0,0,0,0|2,0,0]=4 7884 B12R1.354 CN(CF)c1cc(ccc1F)Br 38a_100011314990_100015361967 [0,2,0,0,0,0|2,0,0]=4 7885 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,2,0,0,0,0|1,0,1]=4 7886 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,2,0,0,0,0|1,0,1]=4 7887 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,2,0,0,0,0|1,0,1]=4 7888 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|1,0,1]=4 7889 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|1,0,1]=4 7890 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,2,0,0,0,0|1,0,1]=4 7891 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,2,0,0,0,0|1,0,1]=4 7892 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,2,0,0,0,0|1,0,1]=4 7893 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,2,0,0,0,0|1,0,1]=4 7894 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,2,0,0,0,0|1,0,1]=4 7895 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,2,0,0,0,0|1,0,1]=4 7896 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,2,0,0,0,0|1,0,1]=4 7897 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,2,0,0,0,0|1,0,1]=4 7898 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,2,0,0,0,0|1,0,1]=4 7899 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,2,0,0,0,0|1,0,1]=4 7900 B12R1.354 CNC(C)c1cc(ccc1Br)Br 269862a_106832991636_100011206948 [0,2,0,0,0,0|1,0,0]=3 7901 B12R1.354 CNC(C)c1cc(ccc1Br)C 269862a_106832991636_100012361225 [0,2,0,0,0,0|1,0,0]=3 7902 B12R1.354 CNC(C)c1cc(ccc1Br)Cl 269862a_106832991636_100012361343 [0,2,0,0,0,0|1,0,0]=3 7903 B12R1.354 CNC(C)c1cc(ccc1Br)F 2230a_100012343209_200000210301 [0,2,0,0,0,0|1,0,0]=3 7904 B12R1.354 CNC(C)c1cc(ccc1Br)F 269862a_106832991636_100012353695 [0,2,0,0,0,0|1,0,0]=3 7905 B12R1.354 CNC(C)c1cc(ccc1Br)F 34a_100012343209_200000210301 [0,2,0,0,0,0|1,0,0]=3 7906 B12R1.354 CNC(C)c1cc(ccc1C)Br 269862a_106832991636_100012706819 [0,2,0,0,0,0|1,0,0]=3 7907 B12R1.354 CNC(C)c1cc(ccc1C)C 269862a_106832991636_100000211711 [0,2,0,0,0,0|1,0,0]=3 7908 B12R1.354 CNC(C)c1cc(ccc1C)Cl 269862a_106832991636_100012002457 [0,2,0,0,0,0|1,0,0]=3 7909 B12R1.354 CNC(C)c1cc(ccc1C)F 2230a_100011191733_200000210301 [0,2,0,0,0,0|1,0,0]=3 7910 B12R1.354 CNC(C)c1cc(ccc1C)F 269862a_106832991636_100011220403 [0,2,0,0,0,0|1,0,0]=3 7911 B12R1.354 CNC(C)c1cc(ccc1C)F 34a_100011191733_200000210301 [0,2,0,0,0,0|1,0,0]=3 7912 B12R1.354 CNC(C)c1cc(ccc1Cl)Br 269862a_106832991636_100011934286 [0,2,0,0,0,0|1,0,0]=3 7913 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_200000210301 [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 269862a_106832991636_100000184594 [0,2,0,0,0,0|1,0,0]=3 7915 B12R1.354 CNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_200000210301 [0,2,0,0,0,0|1,0,0]=3 7916 B12R1.354 CNC(C)c1cc(ccc1Cl)F 269862a_106832991636_100011218795 [0,2,0,0,0,0|1,0,0]=3 7917 B12R1.354 CNC(C)c1cc(ccc1Cl)I 269862a_106832991636_100010712560 [0,2,0,0,0,0|1,0,0]=3 7918 B12R1.354 CNC(C)c1cc(ccc1F)Br 269862a_106832991636_100000689017 [0,2,0,0,0,0|1,0,0]=3 7919 B12R1.354 CNC(C)c1cc(ccc1F)C 269862a_106832991636_100000760338 [0,2,0,0,0,0|1,0,0]=3 7920 B12R1.354 CNC(C)c1cc(ccc1F)Cl 269862a_106832991636_100011218796 [0,2,0,0,0,0|1,0,0]=3 7921 B12R1.354 CNC(C)c1cc(ccc1F)F 2230a_100000737541_200000210301 [0,2,0,0,0,0|1,0,0]=3 7922 B12R1.354 CNC(C)c1cc(ccc1F)F 269862a_106832991636_100000185199 [0,2,0,0,0,0|1,0,0]=3 7923 B12R1.354 CNC(C)c1cc(ccc1F)F 34a_100000737541_200000210301 [0,2,0,0,0,0|1,0,0]=3 7924 B12R1.354 CNC(C)c1cc(ccc1F)I 269862a_106832991636_100010254839 [0,2,0,0,0,0|1,0,0]=3 7925 B12R1.354 CNC(C)c1cc(ccc1I)Br 269862a_106832991636_100012349576 [0,2,0,0,0,0|1,0,0]=3 7926 B12R1.354 CNC(C)c1cc(ccc1I)F 269862a_106832991636_100010200798 [0,2,0,0,0,0|1,0,0]=3 7927 B12R1.354 CNC(C)c1cc(ccc1O)Br 269862a_106832991636_100000212127 [0,2,0,0,0,0|0,0,0]=2 7928 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,2,0,0,0,0|0,0,0]=2 7929 B12R1.354 CNC(C)c1cc(ccc1O)Cl 269862a_106832991636_100000185566 [0,2,0,0,0,0|0,0,0]=2 7930 B12R1.354 CNC(C)c1cc(ccc1O)F 269862a_106832991636_100000182812 [0,2,0,0,0,0|0,0,0]=2 7931 B12R1.354 CNC(C)c1cc(ccc1O)I 269862a_106832991636_100010712555 [0,2,0,0,0,0|0,0,0]=2 7932 B12R1.354 CNC(C)c1cc(cnc1C)Br 269862a_106832991636_100138557192 [0,2,0,0,0,0|2,0,0]=4 7933 B12R1.354 CNC(C)c1cc(cnc1Cl)Br 269862a_106832991636_100010188949 [0,2,0,0,0,0|2,0,0]=4 7934 B12R1.354 CNC(C)c1cc(cnc1Cl)F 269862a_106832991636_100000118324 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.354 CNC(C)c1cc(cnc1F)Br 269862a_106832991636_100010254234 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.354 CNC(C)c1cc(ncc1Cl)Cl 269862a_106832991636_200009869910 [0,2,0,0,0,0|2,0,0]=4 7937 B12R1.354 CNC(C)c1cc(ncc1F)Br 269862a_106832991636_100000697832 [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.354 CNC(C)c1nc(ccc1F)Br 269862a_106832991636_200000724559 [0,2,0,0,0,0|2,0,0]=4 7939 B12R1.354 CNC(C)c1nc(ccc1F)Cl 269862a_106832991636_100009887703 [0,2,0,0,0,0|2,0,0]=4 7940 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_200000210301 [0,2,0,0,0,0|1,0,0]=3 7941 B12R1.354 CN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_200000210301 [0,2,0,0,0,0|1,0,0]=3 7942 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 2230a_100000695052_200000210301 [0,2,0,0,0,0|1,0,0]=3 7943 B12R1.354 CN[C@@H](C)c1cc(ccc1F)Cl 34a_100000695052_200000210301 [0,2,0,0,0,0|1,0,0]=3 7944 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_200000210301 [0,2,0,0,0,0|0,0,0]=2 7945 B12R1.354 CN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_200000210301 [0,2,0,0,0,0|0,0,0]=2 7946 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_200000210301 [0,2,0,0,0,0|0,0,0]=2 7947 B12R1.354 CN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_200000210301 [0,2,0,0,0,0|0,0,0]=2 7948 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,2,0,0,0,0|1,0,1]=4 7949 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|1,0,1]=4 7950 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,2,0,0,0,0|1,0,1]=4 7951 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,2,0,0,0,0|1,0,1]=4 7952 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,2,0,0,0,0|1,0,1]=4 7953 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,2,0,0,0,0|1,0,1]=4 7954 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,2,0,0,0,0|1,0,1]=4 7955 B12R1.354 COC(C)c1cc(ccc1C)C 34a_200000246511_200000210301 [0,2,0,0,0,0|1,0,0]=3 7956 B12R1.354 COC(C)c1cc(ccc1C)C 7a_200000246511_200000210301 [0,2,0,0,0,0|1,0,0]=3 7957 B12R1.354 COC(C)c1cc(ccc1C)Cl 34a_100012002745_200000210301 [0,2,0,0,0,0|1,0,0]=3 7958 B12R1.354 COC(C)c1cc(ccc1C)Cl 7a_100012002745_200000210301 [0,2,0,0,0,0|1,0,0]=3 7959 B12R1.354 COC(C)c1cc(ccc1Cl)Cl 34a_100000742519_200000210301 [0,2,0,0,0,0|1,0,0]=3 7960 B12R1.354 COC(C)c1cc(ccc1Cl)Cl 7a_100000742519_200000210301 [0,2,0,0,0,0|1,0,0]=3 7961 B12R1.354 COC(C)c1cc(ccc1F)Br 34a_100011943926_200000210301 [0,2,0,0,0,0|1,0,0]=3 7962 B12R1.354 COC(C)c1cc(ccc1F)Br 7a_100011943926_200000210301 [0,2,0,0,0,0|1,0,0]=3 7963 B12R1.354 COC(C)c1cc(ccc1F)F 34a_100000246540_200000210301 [0,2,0,0,0,0|1,0,0]=3 7964 B12R1.354 COC(C)c1cc(ccc1F)F 7a_100000246540_200000210301 [0,2,0,0,0,0|1,0,0]=3 7965 B12R1.354 CO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_200000210301 [0,2,0,0,0,0|1,0,0]=3 7966 B12R1.354 CO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_200000210301 [0,2,0,0,0,0|1,0,0]=3 7967 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 2230a_100011853016_200025704644 [0,2,0,0,0,0|0,0,0]=2 7968 B12R1.354 C[C@@H](N[13CH3])c1cc(ccc1O)Cl 34a_100011853016_200025704644 [0,2,0,0,0,0|0,0,0]=2 7969 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 2230a_100000695052_200025704644 [0,2,0,0,0,0|1,0,0]=3 7970 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1F)Cl 34a_100000695052_200025704644 [0,2,0,0,0,0|1,0,0]=3 7971 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 2230a_100160469477_200025704644 [0,2,0,0,0,0|0,0,0]=2 7972 B12R1.354 C[C@H](N[13CH3])c1cc(ccc1O)F 34a_100160469477_200025704644 [0,2,0,0,0,0|0,0,0]=2 7973 B12R1.354 C[C@H](O[13CH3])c1cc(ccc1I)F 34a_100134768474_200025704644 [0,2,0,0,0,0|1,0,0]=3 7974 B12R1.354 C[C@H](O[13CH3])c1cc(ccc1I)F 7a_100134768474_200025704644 [0,2,0,0,0,0|1,0,0]=3 7975 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|1,0,1]=4 7976 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 34a_200000246511_200025704644 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 7a_200000246511_200025704644 [0,2,0,0,0,0|1,0,0]=3 7978 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 2230a_100000695983_200025704644 [0,2,0,0,0,0|1,0,0]=3 7979 B12R1.354 Cc1ccc(c(c1)[C@H](C)N[13CH3])C 34a_100000695983_200025704644 [0,2,0,0,0,0|1,0,0]=3 7980 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 2230a_100011191733_200025704644 [0,2,0,0,0,0|1,0,0]=3 7981 B12R1.354 Cc1ccc(cc1C(C)N[13CH3])F 34a_100011191733_200025704644 [0,2,0,0,0,0|1,0,0]=3 7982 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 34a_100012002745_200025704644 [0,2,0,0,0,0|1,0,0]=3 7983 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 7a_100012002745_200025704644 [0,2,0,0,0,0|1,0,0]=3 7984 B12R1.354 Cc1ccc(cc1N(C)CF)Br 269982a_100020629602_100015361967 [0,2,0,0,0,0|2,0,0]=4 7985 B12R1.354 Cc1ccc(cc1N(C)CF)Br 34a_100020629602_100015361967 [0,2,0,0,0,0|2,0,0]=4 7986 B12R1.354 Cc1ccc(cc1N(C)CF)Br 38a_100020629602_100015361967 [0,2,0,0,0,0|2,0,0]=4 7987 B12R1.354 Cc1ccc(cc1N(C)CF)Cl 269982a_100000221440_100015361967 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.354 Cc1ccc(cc1N(C)CF)Cl 34a_100000221440_100015361967 [0,2,0,0,0,0|2,0,0]=4 7989 B12R1.354 Cc1ccc(cc1N(C)CF)Cl 38a_100000221440_100015361967 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.354 Cc1ccc(cc1N(C)CF)F 269982a_114849113390_100015361967 [0,2,0,0,0,0|2,0,0]=4 7991 B12R1.354 Cc1ccc(cc1N(C)CF)F 34a_114849113390_100015361967 [0,2,0,0,0,0|2,0,0]=4 7992 B12R1.354 Cc1ccc(cc1N(C)CF)F 38a_114849113390_100015361967 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.354 N[C@H](CO)c1cc(ccc1F)O 271570a_203496583355_100010142275 [0,2,0,0,0,0|2,0,0]=4 7994 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,2,0,0,0,0|1,0,1]=4 7995 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,2,0,0,0,0|1,0,1]=4 7996 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,2,0,0,0,0|1,0,1]=4 7997 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,2,0,0,0,0|1,0,1]=4 7998 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,2,0,0,0,0|1,0,1]=4 7999 B12R1.453 C=C(C)c1cc(ccc1O)C#N 271570a_100000694244_100000725478 [0,2,0,0,0,0|0,0,2]=4 8000 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [0,2,0,0,0,0|0,0,2]=4 8001 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,2,0,0,0,0|0,0,2]=4 8002 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,2,0,0,0,0|0,0,2]=4 8003 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,2,0,0,0,0|0,0,2]=4 8004 B12R1.453 C=Cc1ccc(=O)n(c1)C(C)C 271570a_100011290941_100016995121 [0,2,0,0,0,0|1,0,1]=4 8005 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,2,0,0,0,0|1,0,1]=4 8006 B12R1.453 C=Cc1ccc(c(c1)C(C)C)F 271570a_100011290941_200053017515 [0,2,0,0,0,0|1,0,0]=3 8007 B12R1.453 C=Cc1ccc(c(c1)C(C)C)N 271570a_100011290941_100000694223 [0,2,0,0,0,0|1,0,0]=3 8008 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [0,2,0,0,0,0|0,0,0]=2 8009 B12R1.453 C=Cc1ccc(c(c1)C(C)O)F 271570a_100011290941_100011943926 [0,2,0,0,0,0|2,0,0]=4 8010 B12R1.453 C=Cc1ccc(c(c1)N(C)C)F 271570a_100011290941_100010288836 [0,2,0,0,0,0|2,0,0]=4 8011 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,2,0,0,0,0|1,0,1]=4 8012 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,2,0,0,0,0|1,0,1]=4 8013 B12R1.453 CC(C)c1cc(ccc1F)S[13CH3] 62a_200025704644_200053017515 [0,2,0,0,0,0|1,0,0]=3 8014 B12R1.453 CC(C)c1cc(ccc1F)S[13CH3] 62a_200053017515_200025704644 [0,2,0,0,0,0|1,0,0]=3 8015 B12R1.453 CC(C)c1cc(ccc1N)S[13CH3] 62a_100000694223_200025704644 [0,2,0,0,0,0|1,0,0]=3 8016 B12R1.453 CC(C)c1cc(ccc1N)S[13CH3] 62a_200025704644_100000694223 [0,2,0,0,0,0|1,0,0]=3 8017 B12R1.453 CC(C)c1cc(ccc1O)C#N 271570a_203496583355_100021510006 [0,2,0,0,0,0|0,0,0]=2 8018 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,2,0,0,0,0|0,0,0]=2 8019 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,2,0,0,0,0|0,0,0]=2 8020 B12R1.453 CC(C)n1cc(ccc1=O)S[13CH3] 62a_100016995121_200025704644 [0,2,0,0,0,0|1,0,1]=4 8021 B12R1.453 CC(C)n1cc(ccc1=O)S[13CH3] 62a_200025704644_100016995121 [0,2,0,0,0,0|1,0,1]=4 8022 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_100011943926_200025704644 [0,2,0,0,0,0|2,0,0]=4 8023 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100011943926 [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,2,0,0,0,0|1,0,1]=4 8025 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,2,0,0,0,0|1,0,1]=4 8026 B12R1.453 CN(C)c1cc(ccc1F)S[13CH3] 62a_100010288836_200025704644 [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.453 CN(C)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010288836 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.453 CN(C)c1cc(ccc1I)O[13CH3] 34a_200010083878_200025704644 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.453 CNc1ccc(c(c1)N(C)C)C 34a_100011708272_200000210301 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,2,0,0,0,0|1,0,1]=4 8031 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,2,0,0,0,0|1,0,1]=4 8032 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,2,0,0,0,0|1,0,1]=4 8033 B12R1.453 COc1ccc(c(c1)C(F)F)O 271570a_203496583355_100010189949 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.453 COc1ccc(c(c1)N(C)C)C 34a_200000087912_200000210301 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.453 COc1ccc(c(c1)N(C)C)I 34a_200010083878_200000210301 [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,2,0,0,0,0|1,0,0]=3 8037 B12R1.453 CSc1ccc(=O)n(c1)C(C)C 62a_100016995121_200000210301 [0,2,0,0,0,0|1,0,1]=4 8038 B12R1.453 CSc1ccc(=O)n(c1)C(C)C 62a_200000210301_100016995121 [0,2,0,0,0,0|1,0,1]=4 8039 B12R1.453 CSc1ccc(c(c1)C(C)C)F 62a_200000210301_200053017515 [0,2,0,0,0,0|1,0,0]=3 8040 B12R1.453 CSc1ccc(c(c1)C(C)C)F 62a_200053017515_200000210301 [0,2,0,0,0,0|1,0,0]=3 8041 B12R1.453 CSc1ccc(c(c1)C(C)C)N 62a_100000694223_200000210301 [0,2,0,0,0,0|1,0,0]=3 8042 B12R1.453 CSc1ccc(c(c1)C(C)C)N 62a_200000210301_100000694223 [0,2,0,0,0,0|1,0,0]=3 8043 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,2,0,0,0,0|0,0,0]=2 8044 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,2,0,0,0,0|0,0,0]=2 8045 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_100011943926_200000210301 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_200000210301_100011943926 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.453 CSc1ccc(c(c1)N(C)C)F 62a_100010288836_200000210301 [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.453 CSc1ccc(c(c1)N(C)C)F 62a_200000210301_100010288836 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.453 Cc1ccc(cc1N(C)C)N[13CH3] 34a_100011708272_200025704644 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.453 Cc1ccc(cc1N(C)C)O[13CH3] 34a_200000087912_200025704644 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,2,0,0,0,0|1,0,1]=4 8052 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,2,0,0,0,0|1,0,1]=4 8053 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [0,2,0,0,0,0|1,0,0]=3 8054 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [0,2,0,0,0,0|1,0,0]=3 8055 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [0,2,0,0,0,0|1,0,0]=3 8056 B12R1.243 CCC(NC)c1ncccc1C 2230a_200011536107_200000210301 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.243 CCC(NC)c1ncccc1C 269862a_106832991636_100000725274 [0,2,0,0,0,0|2,0,0]=4 8058 B12R1.243 CCC(N[13CH3])c1ncccc1C 2230a_200011536107_200025704644 [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,2,0,0,0,0|1,0,0]=3 8060 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,2,0,0,0,0|1,0,0]=3 8061 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,2,0,0,0,0|1,0,0]=3 8062 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,2,0,0,0,0|1,0,0]=3 8063 B12R1.243 CCN(CC)c1ccccc1Br 2230a_114873767003_100000210202 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.243 CCN(CC)c1ccccc1Br 269982a_114873767003_100000204670 [0,2,0,0,0,0|2,0,0]=4 8065 B12R1.243 CCN(CC)c1ccccc1Br 34a_114873767003_100000210202 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.243 CCN(CC)c1ccccc1C 2230a_100000211084_100000210202 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.243 CCN(CC)c1ccccc1C 269982a_100000211084_100000204670 [0,2,0,0,0,0|2,0,0]=4 8068 B12R1.243 CCN(CC)c1ccccc1C 34a_100000211084_100000210202 [0,2,0,0,0,0|2,0,0]=4 8069 B12R1.243 CCN(CC)c1ccccc1F 2230a_100000220365_100000210202 [0,2,0,0,0,0|2,0,0]=4 8070 B12R1.243 CCN(CC)c1ccccc1F 269982a_100000220365_100000204670 [0,2,0,0,0,0|2,0,0]=4 8071 B12R1.243 CCN(CC)c1ccccc1F 34a_100000220365_100000210202 [0,2,0,0,0,0|2,0,0]=4 8072 B12R1.243 CCN(CC)c1ccccc1O 269982a_103624766699_100000204670 [0,2,0,0,0,0|1,0,0]=3 8073 B12R1.243 CCN(CF)c1ccccc1Br 269982a_114873767003_100015361967 [0,2,0,0,0,0|2,0,0]=4 8074 B12R1.243 CCN(CF)c1ccccc1Br 34a_114873767003_100015361967 [0,2,0,0,0,0|2,0,0]=4 8075 B12R1.243 CCN(CF)c1ccccc1C 269982a_100000211084_100015361967 [0,2,0,0,0,0|2,0,0]=4 8076 B12R1.243 CCN(CF)c1ccccc1C 34a_100000211084_100015361967 [0,2,0,0,0,0|2,0,0]=4 8077 B12R1.243 CCN(CF)c1ccccc1F 269982a_100000220365_100015361967 [0,2,0,0,0,0|2,0,0]=4 8078 B12R1.243 CCN(CF)c1ccccc1F 34a_100000220365_100015361967 [0,2,0,0,0,0|2,0,0]=4 8079 B12R1.243 CCN(CF)c1ccccc1O 269982a_103624766699_100015361967 [0,2,0,0,0,0|1,0,0]=3 8080 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [0,2,0,0,0,0|1,0,0]=3 8081 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [0,2,0,0,0,0|1,0,0]=3 8082 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [0,2,0,0,0,0|1,0,0]=3 8083 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [0,2,0,0,0,0|1,0,0]=3 8084 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [0,2,0,0,0,0|1,0,0]=3 8085 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [0,2,0,0,0,0|1,0,0]=3 8086 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [0,2,0,0,0,0|1,0,0]=3 8087 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [0,2,0,0,0,0|1,0,0]=3 8088 B12R1.243 CNC(C#N)c1ccccc1C 2230a_102495364774_200000210301 [0,2,0,0,0,0|1,0,1]=4 8089 B12R1.243 CNC(CO)c1ccccc1Cl 2230a_100138412506_200000210301 [0,2,0,0,0,0|1,0,0]=3 8090 B12R1.243 CNC(CO)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|1,0,0]=3 8091 B12R1.243 CNC(CO)c1ccncc1Cl 2230a_200020642286_200000210301 [0,2,0,0,0,0|2,0,0]=4 8092 B12R1.243 CN[C@@H](CO)c1ccccc1F 2230a_100009818778_200000210301 [0,2,0,0,0,0|1,0,0]=3 8093 B12R1.243 CN[C@@H](CO)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|1,0,0]=3 8094 B12R1.243 CN[C@H](CO)c1ccccc1Br 2230a_100161155918_200000210301 [0,2,0,0,0,0|1,0,0]=3 8095 B12R1.243 CN[C@H](CO)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|1,0,0]=3 8096 B12R1.243 COC(C#N)c1ccccc1Cl 7a_200011294979_200000210301 [0,2,0,0,0,0|1,0,1]=4 8097 B12R1.243 COC(CN)c1ccccc1Br 34a_100011236429_200000210301 [0,2,0,0,0,0|1,0,0]=3 8098 B12R1.243 COC(CN)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|1,0,0]=3 8099 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [0,2,0,0,0,0|0,0,0]=2 8100 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200000210301_200011581958 [0,2,0,0,0,0|1,0,1]=4 8101 B12R1.243 CSC(C#N)c1ccccc1Br 62a_200011581958_200000210301 [0,2,0,0,0,0|1,0,1]=4 8102 B12R1.243 Cc1ccccc1C(C#N)N[13CH3] 2230a_102495364774_200025704644 [0,2,0,0,0,0|1,0,1]=4 8103 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 2230a_100138412506_200025704644 [0,2,0,0,0,0|1,0,0]=3 8104 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|1,0,0]=3 8105 B12R1.243 [13CH3]NC(CO)c1ccncc1Cl 2230a_200020642286_200025704644 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 2230a_100009818778_200025704644 [0,2,0,0,0,0|1,0,0]=3 8107 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|1,0,0]=3 8108 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 2230a_100161155918_200025704644 [0,2,0,0,0,0|1,0,0]=3 8109 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|1,0,0]=3 8110 B12R1.243 [13CH3]OC(C#N)c1ccccc1Cl 7a_200011294979_200025704644 [0,2,0,0,0,0|1,0,1]=4 8111 B12R1.243 [13CH3]OC(CN)c1ccccc1Br 34a_100011236429_200025704644 [0,2,0,0,0,0|1,0,0]=3 8112 B12R1.243 [13CH3]OC(CN)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|1,0,0]=3 8113 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200011581958_200025704644 [0,2,0,0,0,0|1,0,1]=4 8114 B12R1.243 [13CH3]SC(C#N)c1ccccc1Br 62a_200025704644_200011581958 [0,2,0,0,0,0|1,0,1]=4 8115 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,2,0,0,0,0|1,0,1]=4 8116 B12R1.308 C#CCN(C)c1ccccc1Br 2230a_100020606079_100000038162 [0,2,0,0,0,0|2,0,0]=4 8117 B12R1.308 C#CCN(C)c1ccccc1Br 34a_100020606079_100000184674 [0,2,0,0,0,0|2,0,0]=4 8118 B12R1.308 C#CCN(C)c1ccccc1C 2230a_100000219699_100000038162 [0,2,0,0,0,0|2,0,0]=4 8119 B12R1.308 C#CCN(C)c1ccccc1C 34a_100000219699_100000184674 [0,2,0,0,0,0|2,0,0]=4 8120 B12R1.308 C#CCN(C)c1ccccc1Cl 2230a_100000219374_100000038162 [0,2,0,0,0,0|2,0,0]=4 8121 B12R1.308 C#CCN(C)c1ccccc1Cl 34a_100000219374_100000184674 [0,2,0,0,0,0|2,0,0]=4 8122 B12R1.308 C#CCN(C)c1ccccc1F 2230a_100000220357_100000038162 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.308 C#CCN(C)c1ccccc1F 34a_100000220357_100000184674 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.308 C#CCN(C)c1ccccc1F 38a_100000220357_100000184674 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,2,0,0,0,0|1,0,1]=4 8126 B12R1.308 C=CCN(C)c1ccccc1Br 2230a_100020606079_100000210623 [0,2,0,0,0,0|2,0,0]=4 8127 B12R1.308 C=CCN(C)c1ccccc1Br 269982a_100020606079_100000210623 [0,2,0,0,0,0|2,0,0]=4 8128 B12R1.308 C=CCN(C)c1ccccc1Br 34a_100020606079_100015514636 [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.308 C=CCN(C)c1ccccc1C 2230a_100000219699_100000210623 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.308 C=CCN(C)c1ccccc1C 269982a_100000219699_100000210623 [0,2,0,0,0,0|2,0,0]=4 8131 B12R1.308 C=CCN(C)c1ccccc1C 34a_100000219699_100015514636 [0,2,0,0,0,0|2,0,0]=4 8132 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,2,0,0,0,0|2,0,0]=4 8135 B12R1.308 C=CCN(C)c1ccccc1F 2230a_100000220357_100000210623 [0,2,0,0,0,0|2,0,0]=4 8136 B12R1.308 C=CCN(C)c1ccccc1F 269982a_100000220357_100000210623 [0,2,0,0,0,0|2,0,0]=4 8137 B12R1.308 C=CCN(C)c1ccccc1F 34a_100000220357_100015514636 [0,2,0,0,0,0|2,0,0]=4 8138 B12R1.308 C=CCN(C)c1ccccc1F 38a_100000220357_100000210623 [0,2,0,0,0,0|2,0,0]=4 8139 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,2,0,0,0,0|1,0,0]=3 8140 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,2,0,0,0,0|1,0,0]=3 8141 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,2,0,0,0,0|1,0,0]=3 8142 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,2,0,0,0,0|1,0,0]=3 8143 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,2,0,0,0,0|1,0,0]=3 8144 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,2,0,0,0,0|1,0,0]=3 8145 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,2,0,0,0,0|1,0,0]=3 8146 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,2,0,0,0,0|1,0,0]=3 8147 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,2,0,0,0,0|1,0,0]=3 8148 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,2,0,0,0,0|1,0,0]=3 8149 B12R1.308 CC(OCF)c1cccnc1Cl 34a_100009865335_100015361967 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.308 CC(OCF)c1cccnc1Cl 7a_100009865335_100015361967 [0,2,0,0,0,0|2,0,0]=4 8151 B12R1.308 CC(OCF)c1ccncc1F 34a_100012180158_100015361967 [0,2,0,0,0,0|2,0,0]=4 8152 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100000181259_100015361967 [0,2,0,0,0,0|1,0,0]=3 8153 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100015361967_100000181259 [0,2,0,0,0,0|1,0,0]=3 8154 B12R1.308 CC(SCF)c1ccccc1F 62a_100015361967_200000741388 [0,2,0,0,0,0|1,0,0]=3 8155 B12R1.308 CC(SCF)c1ccccc1F 62a_200000741388_100015361967 [0,2,0,0,0,0|1,0,0]=3 8156 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,2,0,0,0,0|1,0,1]=4 8157 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 8158 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 8161 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 8162 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,2,0,0,0,0|2,0,0]=4 8163 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 8164 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 8165 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,2,0,0,0,0|2,0,0]=4 8166 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 8167 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 8169 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 8170 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 8171 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,2,0,0,0,0|2,0,0]=4 8172 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,2,0,0,0,0|2,0,0]=4 8173 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,2,0,0,0,0|1,0,0]=3 8174 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 8175 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 8176 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,2,0,0,0,0|2,0,0]=4 8177 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,2,0,0,0,0|1,0,1]=4 8178 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,2,0,0,0,0|1,0,1]=4 8179 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,2,0,0,0,0|1,0,0]=3 8180 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,2,0,0,0,0|1,0,0]=3 8181 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,2,0,0,0,0|1,0,0]=3 8182 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,2,0,0,0,0|1,0,0]=3 8183 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,2,0,0,0,0|1,0,0]=3 8184 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,2,0,0,0,0|1,0,0]=3 8185 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,2,0,0,0,0|1,0,0]=3 8186 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,2,0,0,0,0|1,0,0]=3 8187 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,2,0,0,0,0|1,0,0]=3 8188 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,2,0,0,0,0|1,0,0]=3 8189 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,2,0,0,0,0|1,0,0]=3 8190 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,2,0,0,0,0|1,0,0]=3 8191 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,2,0,0,0,0|1,0,0]=3 8192 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,2,0,0,0,0|1,0,0]=3 8193 B12R1.308 CCNC(C)c1cccnc1C 269862a_100015525214_100011995960 [0,2,0,0,0,0|2,0,0]=4 8194 B12R1.308 CCNC(C)c1cccnc1O 2230a_100159269580_100000210202 [0,2,0,0,0,0|1,0,0]=3 8195 B12R1.308 CCNC(C)c1ccncc1Br 269862a_100015525214_100009993184 [0,2,0,0,0,0|2,0,0]=4 8196 B12R1.308 CCNC(C)c1ccncc1Cl 269862a_100015525214_100012001414 [0,2,0,0,0,0|2,0,0]=4 8197 B12R1.308 CCNC(C)c1ccncc1F 269862a_100015525214_100000727669 [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.308 CCNC(C)c1cnccc1C 269862a_100015525214_100000693228 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.308 CCNC(C)c1cnccc1Cl 269862a_100015525214_100160469449 [0,2,0,0,0,0|2,0,0]=4 8200 B12R1.308 CCNC(C)c1ncccc1Br 2230a_100159271932_100000210202 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.308 CCNC(C)c1ncccc1Br 269862a_100015525214_100012348690 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.308 CCNC(C)c1ncccc1C 2230a_100011536111_100000210202 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.308 CCNC(C)c1ncccc1C 269862a_100015525214_100011536074 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.308 CCNC(C)c1ncccc1Cl 269862a_100015525214_100015267551 [0,2,0,0,0,0|2,0,0]=4 8205 B12R1.308 CCNC(C)c1ncccc1F 269862a_100015525214_100011997767 [0,2,0,0,0,0|2,0,0]=4 8206 B12R1.308 CCNC(C)c1ncccc1I 269862a_100015525214_200015599370 [0,2,0,0,0,0|2,0,0]=4 8207 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,2,0,0,0,0|0,0,0]=2 8208 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,2,0,0,0,0|1,0,1]=4 8209 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,2,0,0,0,0|1,0,0]=3 8210 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,2,0,0,0,0|1,0,0]=3 8211 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,2,0,0,0,0|1,0,0]=3 8212 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,2,0,0,0,0|1,0,0]=3 8213 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,2,0,0,0,0|1,0,0]=3 8214 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,2,0,0,0,0|1,0,0]=3 8215 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,2,0,0,0,0|1,0,0]=3 8216 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,2,0,0,0,0|1,0,0]=3 8217 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,2,0,0,0,0|1,0,0]=3 8218 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,2,0,0,0,0|1,0,0]=3 8219 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.308 CCOC(C)c1ccncc1F 34a_100012180158_100000210202 [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.308 CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210202 [0,2,0,0,0,0|2,0,0]=4 8223 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,2,0,0,0,0|1,0,0]=3 8224 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,2,0,0,0,0|1,0,0]=3 8225 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,2,0,0,0,0|1,0,0]=3 8226 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,2,0,0,0,0|1,0,0]=3 8227 B12R1.308 CN(CC#N)c1ccccc1Br 2230a_100020606079_100011215382 [0,2,0,0,0,0|2,0,0]=4 8228 B12R1.308 CN(CC#N)c1ccccc1Br 269982a_100020606079_100011214920 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.308 CN(CC#N)c1ccccc1Cl 2230a_100000219374_100011215382 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.308 CN(CC#N)c1ccccc1Cl 269982a_100000219374_100011214920 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.308 CN(CC#N)c1ccccc1F 2230a_100000220357_100011215382 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.308 CN(CC#N)c1ccccc1F 269982a_100000220357_100011214920 [0,2,0,0,0,0|2,0,0]=4 8233 B12R1.308 CN(CC#N)c1ccccc1O 269982a_100000033821_100011214920 [0,2,0,0,0,0|1,0,0]=3 8234 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 8235 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,2,0,0,0,0|2,0,0]=4 8236 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,2,0,0,0,0|2,0,0]=4 8237 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 8238 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,2,0,0,0,0|2,0,0]=4 8239 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,2,0,0,0,0|2,0,0]=4 8240 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 8241 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,2,0,0,0,0|2,0,0]=4 8242 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,2,0,0,0,0|2,0,0]=4 8243 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,2,0,0,0,0|1,0,0]=3 8244 B12R1.308 CN(CCF)c1ccccc1Br 2230a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 8245 B12R1.308 CN(CCF)c1ccccc1Br 269982a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 8246 B12R1.308 CN(CCF)c1ccccc1Br 34a_100020606079_100011217306 [0,2,0,0,0,0|2,0,0]=4 8247 B12R1.308 CN(CCF)c1ccccc1Cl 2230a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.308 CN(CCF)c1ccccc1Cl 269982a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.308 CN(CCF)c1ccccc1Cl 34a_100000219374_100011217306 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.308 CN(CCF)c1ccccc1F 2230a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.308 CN(CCF)c1ccccc1F 269982a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 8252 B12R1.308 CN(CCF)c1ccccc1F 34a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 8253 B12R1.308 CN(CCF)c1ccccc1F 38a_100000220357_100011217306 [0,2,0,0,0,0|2,0,0]=4 8254 B12R1.308 CN(CCF)c1ccccc1O 269982a_100000033821_100011217306 [0,2,0,0,0,0|1,0,0]=3 8255 B12R1.308 CN(CCO)c1ccccc1Br 2230a_100020606079_100000211926 [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.308 CN(CCO)c1ccccc1Br 269982a_100020606079_100000211926 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.308 CN(CCO)c1ccccc1Br 34a_100020606079_100000211926 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.308 CN(CCO)c1ccccc1Cl 2230a_100000219374_100000211926 [0,2,0,0,0,0|2,0,0]=4 8259 B12R1.308 CN(CCO)c1ccccc1Cl 269982a_100000219374_100000211926 [0,2,0,0,0,0|2,0,0]=4 8260 B12R1.308 CN(CCO)c1ccccc1Cl 34a_100000219374_100000211926 [0,2,0,0,0,0|2,0,0]=4 8261 B12R1.308 CN(CCO)c1ccccc1F 2230a_100000220357_100000211926 [0,2,0,0,0,0|2,0,0]=4 8262 B12R1.308 CN(CCO)c1ccccc1F 269982a_100000220357_100000211926 [0,2,0,0,0,0|2,0,0]=4 8263 B12R1.308 CN(CCO)c1ccccc1F 34a_100000220357_100000211926 [0,2,0,0,0,0|2,0,0]=4 8264 B12R1.308 CN(CCO)c1ccccc1F 38a_100000220357_100000211926 [0,2,0,0,0,0|2,0,0]=4 8265 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,2,0,0,0,0|1,0,0]=3 8266 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|1,0,1]=4 8267 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,2,0,0,0,0|2,0,0]=4 8268 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|2,0,0]=4 8270 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,2,0,0,0,0|1,0,1]=4 8271 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.308 COCN(C)c1ccccc1Br 2230a_100020606079_100000766300 [0,2,0,0,0,0|2,0,0]=4 8273 B12R1.308 COCN(C)c1ccccc1Br 269982a_100020606079_100000766300 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.308 COCN(C)c1ccccc1C 2230a_100000219699_100000766300 [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.308 COCN(C)c1ccccc1C 269982a_100000219699_100000766300 [0,2,0,0,0,0|2,0,0]=4 8276 B12R1.308 COCN(C)c1ccccc1Cl 2230a_100000219374_100000766300 [0,2,0,0,0,0|2,0,0]=4 8277 B12R1.308 COCN(C)c1ccccc1Cl 269982a_100000219374_100000766300 [0,2,0,0,0,0|2,0,0]=4 8278 B12R1.308 COCN(C)c1ccccc1F 2230a_100000220357_100000766300 [0,2,0,0,0,0|2,0,0]=4 8279 B12R1.308 COCN(C)c1ccccc1F 269982a_100000220357_100000766300 [0,2,0,0,0,0|2,0,0]=4 8280 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,2,0,0,0,0|1,0,0]=3 8281 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 8282 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|2,0,0]=4 8283 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,2,0,0,0,0|1,0,1]=4 8284 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,2,0,0,0,0|1,0,1]=4 8285 B12R1.308 CSCN(C)c1ccccc1Br 2230a_100020606079_100011218213 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.308 CSCN(C)c1ccccc1Br 269982a_100020606079_100011218213 [0,2,0,0,0,0|2,0,0]=4 8287 B12R1.308 CSCN(C)c1ccccc1Br 34a_100020606079_100011218213 [0,2,0,0,0,0|2,0,0]=4 8288 B12R1.308 CSCN(C)c1ccccc1C 2230a_100000219699_100011218213 [0,2,0,0,0,0|2,0,0]=4 8289 B12R1.308 CSCN(C)c1ccccc1C 269982a_100000219699_100011218213 [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.308 CSCN(C)c1ccccc1C 34a_100000219699_100011218213 [0,2,0,0,0,0|2,0,0]=4 8291 B12R1.308 CSCN(C)c1ccccc1Cl 2230a_100000219374_100011218213 [0,2,0,0,0,0|2,0,0]=4 8292 B12R1.308 CSCN(C)c1ccccc1Cl 269982a_100000219374_100011218213 [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.308 CSCN(C)c1ccccc1Cl 34a_100000219374_100011218213 [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.308 CSCN(C)c1ccccc1F 2230a_100000220357_100011218213 [0,2,0,0,0,0|2,0,0]=4 8295 B12R1.308 CSCN(C)c1ccccc1F 269982a_100000220357_100011218213 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.308 CSCN(C)c1ccccc1F 34a_100000220357_100011218213 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.308 CSCN(C)c1ccccc1O 269982a_100000033821_100011218213 [0,2,0,0,0,0|1,0,0]=3 8298 B12R1.308 C[C@H](OCF)c1ncccc1Br 7a_100013325542_100015361967 [0,2,0,0,0,0|2,0,0]=4 8299 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,2,0,0,0,0|1,0,0]=3 8300 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,2,0,0,0,0|1,0,0]=3 8301 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,2,0,0,0,0|1,0,0]=3 8302 B12R1.308 Cc1ccccc1N(C)CC#N 2230a_100000219699_100011215382 [0,2,0,0,0,0|2,0,0]=4 8303 B12R1.308 Cc1ccccc1N(C)CC#N 269982a_100000219699_100011214920 [0,2,0,0,0,0|2,0,0]=4 8304 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,2,0,0,0,0|2,0,0]=4 8307 B12R1.308 Cc1ccccc1N(C)CCF 2230a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 8308 B12R1.308 Cc1ccccc1N(C)CCF 269982a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 8309 B12R1.308 Cc1ccccc1N(C)CCF 34a_100000219699_100011217306 [0,2,0,0,0,0|2,0,0]=4 8310 B12R1.308 Cc1ccccc1N(C)CCO 2230a_100000219699_100000211926 [0,2,0,0,0,0|2,0,0]=4 8311 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100000219699_100000211926 [0,2,0,0,0,0|2,0,0]=4 8312 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100011233185_200000210301 [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.308 Cc1ccccc1N(C)CCO 34a_100000219699_100000211926 [0,2,0,0,0,0|2,0,0]=4 8314 B12R1.308 Cc1ccccc1N(C)CCO 34a_100011233185_200000210301 [0,2,0,0,0,0|2,0,0]=4 8315 B12R1.308 Cc1ccccc1N([13CH3])CCO 269982a_100011233185_200025704644 [0,2,0,0,0,0|2,0,0]=4 8316 B12R1.308 Cc1ccccc1N([13CH3])CCO 34a_100011233185_200025704644 [0,2,0,0,0,0|2,0,0]=4 8317 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,2,0,0,0,0|1,0,1]=4 8318 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,2,0,0,0,0|1,0,1]=4 8319 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,2,0,0,0,0|1,0,1]=4 8320 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,2,0,0,0,0|1,0,1]=4 8321 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,2,0,0,0,0|1,0,1]=4 8328 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,2,0,0,0,0|1,0,1]=4 8329 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,1,1,0,0|1,0,1]=4 8330 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,1,1,0,0|1,0,1]=4 8331 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,1,1,0,0|2,0,0]=4 8332 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,1,1,0,0|2,0,0]=4 8333 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,1,1,0,0|2,0,0]=4 8334 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,1,1,0,0|2,0,0]=4 8335 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,1,1,0,0|2,0,0]=4 8336 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,1,1,0,0|2,0,0]=4 8337 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,1,1,0,0|2,0,0]=4 8338 B10R1.66 CC(C)C=Cc1c[nH]cn1 271570a_100016257149_100000756875 [0,0,1,1,0,0|2,0,0]=4 8339 B10R1.66 CC(C)C=Cc1cc[nH]n1 271570a_100016257149_100000062575 [0,0,1,1,0,0|2,0,0]=4 8340 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,1,1,0,0|0,0,0]=2 8341 B10R1.66 CC(C)C=Cc1cccs1 271570a_100016257149_100011215356 [0,0,1,1,0,0|0,1,0]=3 8342 B10R1.66 CC(C)C=Cc1ccoc1 271570a_100016257149_100011215275 [0,0,1,1,0,0|2,0,0]=4 8343 B10R1.66 CC(C)C=Cc1ccsc1 271570a_100016257149_100000738268 [0,0,1,1,0,0|2,0,0]=4 8344 B10R1.66 CC(C)C=Cc1ccsn1 271570a_100016257149_100009818082 [0,0,1,1,0,0|2,0,0]=4 8345 B10R1.66 CC(C)C=Cc1cnco1 271570a_100016257149_100020591547 [0,0,1,1,0,0|1,0,0]=3 8346 B10R1.66 CC(C)C=Cc1cncs1 271570a_100016257149_100011934649 [0,0,1,1,0,0|1,1,0]=4 8347 B10R1.66 CC(C)C=Cc1cscn1 271570a_100016257149_100000751502 [0,0,1,1,0,0|2,0,0]=4 8348 B10R1.66 CC(C)C=Cc1ncc[nH]1 271570a_100016257149_100025796157 [0,0,1,1,0,0|2,0,0]=4 8349 B10R1.66 CC(C)C=Cc1ncco1 271570a_100016257149_100011787736 [0,0,1,1,0,0|1,0,0]=3 8350 B10R1.66 CC(C)C=Cc1nccs1 271570a_100016257149_100000211983 [0,0,1,1,0,0|1,1,0]=4 8351 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,1,1,0,0|1,0,1]=4 8352 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,1,1,0,0|1,0,1]=4 8353 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,1,1,0,0|1,0,1]=4 8354 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,1,1,0,0|1,0,1]=4 8355 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,1,1,0,0|1,0,1]=4 8356 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,1,1,0,0|1,0,1]=4 8357 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,1,1,0,0|1,0,0]=3 8358 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [0,0,1,1,0,0|1,1,0]=4 8359 B10R1.66 CC(O)C=Cc1cnco1 271570a_200011019289_100020591547 [0,0,1,1,0,0|2,0,0]=4 8360 B10R1.66 CC(O)C=Cc1ncco1 271570a_200011019289_100011787736 [0,0,1,1,0,0|2,0,0]=4 8361 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [0,0,1,1,0,0|0,0,2]=4 8362 B10R1.180 C=CC=CC(=O)CC1CC1 1458a_100016291481_100000742324 [0,0,1,1,0,0|0,0,2]=4 8363 B10R1.180 C=CC=CC(=O)NC1CC1 1626a_100000212008_100016291481 [0,0,1,1,0,0|1,0,1]=4 8364 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,0,1,1,0,0|0,0,2]=4 8365 B10R1.31 C=Cc1cn(cn1)C(C)C 271570a_100011290941_100010368367 [0,0,1,1,0,0|2,0,0]=4 8366 B10R1.31 C=Cc1ncc(s1)C(C)C 271570a_100011290941_100000697854 [0,0,1,1,0,0|2,0,0]=4 8367 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|1,0,0]=3 8368 B10R2.6 c1cc(cnn1)C2CC2 271570a_100011220607_100000732662 [1,0,0,1,0,0|2,0,0]=4 8369 B10R2.6 c1cc(ncn1)C2CC2 271570a_100011220607_100000703185 [1,0,0,1,0,0|2,0,0]=4 8370 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|0,0,0]=2 8371 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|1,0,0]=3 8372 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [1,0,0,1,0,0|2,0,0]=4 8373 B10R2.6 c1cnc(nc1)C2CC2 271570a_100011220607_100000211032 [1,0,0,1,0,0|2,0,0]=4 8374 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|1,0,0]=3 8375 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [1,0,0,1,0,0|2,0,0]=4 8376 B10R2.6 c1ncc(cn1)C2CC2 271570a_100011220607_100011206942 [1,0,0,1,0,0|2,0,0]=4 8377 B10R2.21 Brc1ccsc1C2CC2 271570a_100011220607_100012361411 [0,0,0,1,1,0|2,0,0]=4 8378 B10R2.21 Brc1cscc1C2CC2 271570a_100011220607_100010143727 [0,0,0,1,1,0|2,0,0]=4 8379 B10R2.21 Cc1ccsc1C2CC2 271570a_100011220607_100000742657 [0,0,0,1,1,0|2,0,0]=4 8380 B10R2.21 Cc1cscc1C2CC2 271570a_100011220607_100000759966 [0,0,0,1,1,0|2,0,0]=4 8381 B10R2.21 Cc1sccc1C2CC2 271570a_100011220607_100000684487 [0,0,0,1,1,0|2,0,0]=4 8382 B10R2.21 Oc1c[nH]nc1C2CC2 271570a_203496583355_100011471633 [0,0,0,1,1,0|2,0,0]=4 8383 B10R2.21 Oc1sccc1C2CC2 271570a_203496583355_100010071141 [0,0,0,1,1,0|1,0,0]=3 8384 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,1|2,0,0]=4 8385 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,1|2,0,0]=4 8386 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,1|2,0,0]=4 8387 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,1|2,0,0]=4 8388 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,1|2,0,0]=4 8389 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,1|2,0,0]=4 8390 B12R2.202 CC1=Cc2cccc(c2C1)O 271570a_203496583355_100010271545 [0,0,0,1,0,1|0,0,2]=4 8391 B12R2.202 CN1Cc2cccc(c2C1)Br 2230a_100000703859_200000210301 [0,0,0,1,0,1|2,0,0]=4 8392 B12R2.202 CN1Cc2cccc(c2C1)Br 269982a_100000703859_200000210301 [0,0,0,1,0,1|2,0,0]=4 8393 B12R2.202 CN1Cc2cccc(c2C1)Br 34a_100000703859_200000210301 [0,0,0,1,0,1|2,0,0]=4 8394 B12R2.202 CN1Cc2cccc(c2C1)Cl 2230a_100000731892_200000210301 [0,0,0,1,0,1|2,0,0]=4 8395 B12R2.202 CN1Cc2cccc(c2C1)Cl 269982a_100000731892_200000210301 [0,0,0,1,0,1|2,0,0]=4 8396 B12R2.202 CN1Cc2cccc(c2C1)Cl 34a_100000731892_200000210301 [0,0,0,1,0,1|2,0,0]=4 8397 B12R2.202 CN1Cc2cccc(c2C1)F 269982a_100000051403_200000210301 [0,0,0,1,0,1|2,0,0]=4 8398 B12R2.202 CN1Cc2cccc(c2C1)F 34a_100000051403_200000210301 [0,0,0,1,0,1|2,0,0]=4 8399 B12R2.202 CN1Cc2cccc(c2C1)O 269982a_100015191671_200000210301 [0,0,0,1,0,1|1,0,0]=3 8400 B12R2.202 CN1Cc2cccc(c2C1)O 34a_100015191671_200000210301 [0,0,0,1,0,1|1,0,0]=3 8401 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,1,0,1|1,0,1]=4 8402 B12R2.202 Cc1cccc2c1CN(C2)C 2230a_100020635169_200000210301 [0,0,0,1,0,1|2,0,0]=4 8403 B12R2.202 Cc1cccc2c1CN(C2)C 269982a_100020635169_200000210301 [0,0,0,1,0,1|2,0,0]=4 8404 B12R2.202 Cc1cccc2c1CN(C2)C 34a_100020635169_200000210301 [0,0,0,1,0,1|2,0,0]=4 8405 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 2230a_100020635169_200025704644 [0,0,0,1,0,1|2,0,0]=4 8406 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 269982a_100020635169_200025704644 [0,0,0,1,0,1|2,0,0]=4 8407 B12R2.202 Cc1cccc2c1CN(C2)[13CH3] 34a_100020635169_200025704644 [0,0,0,1,0,1|2,0,0]=4 8408 B12R2.202 Cc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012360556 [0,0,0,1,0,1|1,0,1]=4 8409 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,1,0,1|1,0,1]=4 8410 B12R2.202 Cc1nc2c(cccc2s1)O 271570a_203496583355_100010236672 [0,0,0,1,0,1|1,0,1]=4 8411 B12R2.202 Cc1nc2cccc(c2o1)O 271570a_203496583355_100010168998 [0,0,0,1,0,1|1,0,1]=4 8412 B12R2.202 Cc1nc2cccc(c2s1)O 271570a_203496583355_100010236699 [0,0,0,1,0,1|1,0,1]=4 8413 B12R2.202 Cn1cc2c(cccc2n1)O 271570a_203496583355_100009817162 [0,0,0,1,0,1|2,0,0]=4 8414 B12R2.202 Cn1cc2cccc(c2n1)O 271570a_203496583355_100009817170 [0,0,0,1,0,1|1,0,1]=4 8415 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,1,0,1|1,0,1]=4 8416 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,1,0,1|1,0,1]=4 8417 B12R2.202 Oc1cccc2c1CC(C2)O 271570a_203496583355_100010752598 [0,0,0,1,0,1|1,0,0]=3 8418 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Br 2230a_100000703859_200025704644 [0,0,0,1,0,1|2,0,0]=4 8419 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Br 269982a_100000703859_200025704644 [0,0,0,1,0,1|2,0,0]=4 8420 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Br 34a_100000703859_200025704644 [0,0,0,1,0,1|2,0,0]=4 8421 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Cl 2230a_100000731892_200025704644 [0,0,0,1,0,1|2,0,0]=4 8422 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Cl 269982a_100000731892_200025704644 [0,0,0,1,0,1|2,0,0]=4 8423 B12R2.202 [13CH3]N1Cc2cccc(c2C1)Cl 34a_100000731892_200025704644 [0,0,0,1,0,1|2,0,0]=4 8424 B12R2.202 [13CH3]N1Cc2cccc(c2C1)F 269982a_100000051403_200025704644 [0,0,0,1,0,1|2,0,0]=4 8425 B12R2.202 [13CH3]N1Cc2cccc(c2C1)F 34a_100000051403_200025704644 [0,0,0,1,0,1|2,0,0]=4 8426 B12R2.202 [13CH3]N1Cc2cccc(c2C1)O 269982a_100015191671_200025704644 [0,0,0,1,0,1|1,0,0]=3 8427 B12R2.202 [13CH3]N1Cc2cccc(c2C1)O 34a_100015191671_200025704644 [0,0,0,1,0,1|1,0,0]=3 8428 B12R2.225 Brc1ccccc1NC2CC2 34a_100000210017_100000211595 [0,0,0,1,0,1|1,0,0]=3 8429 B12R2.225 Brc1ccccc1OC2CC2 34a_100000181306_100000211595 [0,0,0,1,0,1|1,0,0]=3 8430 B12R2.225 Brc1ccccc1SC2CC2 62a_100000695589_100000211595 [0,0,0,1,0,1|1,0,0]=3 8431 B12R2.225 Brc1cccnc1NC2CC2 27a_100000212008_100000696092 [0,0,0,1,0,1|2,0,0]=4 8432 B12R2.225 Brc1cccnc1SC2CC2 62a_100000696092_100000211595 [0,0,0,1,0,1|2,0,0]=4 8433 B12R2.225 Brc1ccncc1SC2CC2 62a_100010138639_100000211595 [0,0,0,1,0,1|2,0,0]=4 8434 B12R2.225 Brc1cnccc1NC2CC2 27a_100000212008_100000726257 [0,0,0,1,0,1|2,0,0]=4 8435 B12R2.225 Brc1cnccc1OC2CC2 34a_100011996408_100000211595 [0,0,0,1,0,1|2,0,0]=4 8436 B12R2.225 Brc1cnccc1SC2CC2 62a_100000726257_100000211595 [0,0,0,1,0,1|2,0,0]=4 8437 B12R2.225 Brc1ncccc1OC2CC2 34a_100000744436_100000211595 [0,0,0,1,0,1|2,0,0]=4 8438 B12R2.225 Brc1ncccc1SC2CC2 62a_100010202626_100000211595 [0,0,0,1,0,1|2,0,0]=4 8439 B12R2.225 Cc1ccccc1NC2CC2 34a_100015192222_100000211595 [0,0,0,1,0,1|1,0,0]=3 8440 B12R2.225 Cc1ccccc1OC2CC2 34a_100000210338_100000211595 [0,0,0,1,0,1|1,0,0]=3 8441 B12R2.225 Cc1ccccc1SC2CC2 62a_100000210755_100000211595 [0,0,0,1,0,1|1,0,0]=3 8442 B12R2.225 Cc1cccnc1SC2CC2 62a_100000751373_100000211595 [0,0,0,1,0,1|2,0,0]=4 8443 B12R2.225 Cc1ccncc1OC2CC2 34a_100011997053_100000211595 [0,0,0,1,0,1|2,0,0]=4 8444 B12R2.225 Cc1ccncc1SC2CC2 62a_100000761580_100000211595 [0,0,0,1,0,1|2,0,0]=4 8445 B12R2.225 Cc1cnccc1NC2CC2 27a_100000212008_100000765111 [0,0,0,1,0,1|2,0,0]=4 8446 B12R2.225 Cc1cnccc1OC2CC2 34a_100000694293_100000211595 [0,0,0,1,0,1|2,0,0]=4 8447 B12R2.225 Cc1cnccc1SC2CC2 62a_100000765111_100000211595 [0,0,0,1,0,1|2,0,0]=4 8448 B12R2.225 Cc1ncccc1OC2CC2 34a_100000745507_100000211595 [0,0,0,1,0,1|2,0,0]=4 8449 B12R2.225 Cc1ncccc1SC2CC2 62a_100000751574_100000211595 [0,0,0,1,0,1|2,0,0]=4 8450 B12R2.225 Clc1ccccc1NC2CC2 34a_100000185783_100000211595 [0,0,0,1,0,1|1,0,0]=3 8451 B12R2.225 Clc1ccccc1OC2CC2 34a_100000210172_100000211595 [0,0,0,1,0,1|1,0,0]=3 8452 B12R2.225 Clc1ccccc1SC2CC2 62a_100000764095_100000211595 [0,0,0,1,0,1|1,0,0]=3 8453 B12R2.225 Clc1cccnc1OC2CC2 34a_100011290957_100000211595 [0,0,0,1,0,1|2,0,0]=4 8454 B12R2.225 Clc1cccnc1SC2CC2 62a_100011356963_100000211595 [0,0,0,1,0,1|2,0,0]=4 8455 B12R2.225 Clc1ccncc1OC2CC2 34a_100011996695_100000211595 [0,0,0,1,0,1|2,0,0]=4 8456 B12R2.225 Clc1ccncc1SC2CC2 62a_100009995489_100000211595 [0,0,0,1,0,1|2,0,0]=4 8457 B12R2.225 Clc1cnccc1OC2CC2 34a_100011997054_100000211595 [0,0,0,1,0,1|2,0,0]=4 8458 B12R2.225 Clc1cnccc1SC2CC2 62a_100000708259_100000211595 [0,0,0,1,0,1|2,0,0]=4 8459 B12R2.225 Clc1ncccc1OC2CC2 34a_100000757616_100000211595 [0,0,0,1,0,1|2,0,0]=4 8460 B12R2.225 Clc1ncccc1SC2CC2 62a_100000036424_100000211595 [0,0,0,1,0,1|2,0,0]=4 8461 B12R2.225 Fc1ccccc1NC2CC2 34a_100000210422_100000211595 [0,0,0,1,0,1|1,0,0]=3 8462 B12R2.225 Fc1ccccc1OC2CC2 34a_100000210171_100000211595 [0,0,0,1,0,1|1,0,0]=3 8463 B12R2.225 Fc1ccccc1SC2CC2 62a_100011215700_100000211595 [0,0,0,1,0,1|1,0,0]=3 8464 B12R2.225 Fc1cccnc1OC2CC2 34a_100011219419_100000211595 [0,0,0,1,0,1|2,0,0]=4 8465 B12R2.225 Fc1cccnc1SC2CC2 62a_100000685392_100000211595 [0,0,0,1,0,1|2,0,0]=4 8466 B12R2.225 Fc1ccncc1SC2CC2 62a_100009820683_100000211595 [0,0,0,1,0,1|2,0,0]=4 8467 B12R2.225 Fc1cnccc1NC2CC2 27a_100000212008_100000035921 [0,0,0,1,0,1|2,0,0]=4 8468 B12R2.225 Fc1cnccc1OC2CC2 34a_200000081243_100000211595 [0,0,0,1,0,1|2,0,0]=4 8469 B12R2.225 Fc1cnccc1SC2CC2 62a_100000047030_100000211595 [0,0,0,1,0,1|2,0,0]=4 8470 B12R2.225 Fc1ncccc1OC2CC2 34a_100000061740_100000211595 [0,0,0,1,0,1|2,0,0]=4 8471 B12R2.225 Fc1ncccc1SC2CC2 62a_100009816115_100000211595 [0,0,0,1,0,1|2,0,0]=4 8472 B12R2.225 Ic1ccccc1NC2CC2 34a_100000210053_100000211595 [0,0,0,1,0,1|1,0,0]=3 8473 B12R2.225 Ic1ccccc1OC2CC2 34a_100000739446_100000211595 [0,0,0,1,0,1|1,0,0]=3 8474 B12R2.225 Ic1ccncc1OC2CC2 34a_100000050107_100000211595 [0,0,0,1,0,1|2,0,0]=4 8475 B12R2.225 Ic1ncccc1OC2CC2 34a_100000034122_100000211595 [0,0,0,1,0,1|2,0,0]=4 8476 B12R2.225 Nc1ccccc1OC2CC2 34a_100000185747_100000211595 [0,0,0,1,0,1|1,0,0]=3 8477 B12R2.225 Nc1ccccc1SC2CC2 62a_100000210017_100000211595 [0,0,0,1,0,1|1,0,0]=3 8478 B12R2.225 Nc1cccnc1OC2CC2 34a_100000746358_100000211595 [0,0,0,1,0,1|2,0,0]=4 8479 B12R2.225 Nc1cccnc1SC2CC2 62a_100000688686_100000211595 [0,0,0,1,0,1|2,0,0]=4 8480 B12R2.225 Nc1ccncc1OC2CC2 34a_100000753702_100000211595 [0,0,0,1,0,1|2,0,0]=4 8481 B12R2.225 Nc1ccncc1SC2CC2 62a_100000047001_100000211595 [0,0,0,1,0,1|2,0,0]=4 8482 B12R2.225 Nc1cnccc1SC2CC2 62a_100000756074_100000211595 [0,0,0,1,0,1|2,0,0]=4 8483 B12R2.225 Nc1ncccc1OC2CC2 34a_100000211975_100000211595 [0,0,0,1,0,1|2,0,0]=4 8484 B12R2.225 Nc1ncccc1SC2CC2 62a_100000045569_100000211595 [0,0,0,1,0,1|2,0,0]=4 8485 B12R2.225 O=c1cc[nH]cc1SC2CC2 62a_100009998708_100000211595 [0,0,0,1,0,1|1,0,1]=4 8486 B12R2.225 O=c1ccocc1OC2CC2 34a_100000060831_100000211595 [0,0,0,1,0,1|1,0,1]=4 8487 B12R2.225 O=c1occcc1OC2CC2 34a_100000077404_100000211595 [0,0,0,1,0,1|1,0,1]=4 8488 B12R2.225 Oc1ccccc1NC2CC2 34a_100000185747_100000211595 [0,0,0,1,0,1|0,0,0]=2 8489 B12R2.225 Oc1ccccc1OC2CC2 271570a_203496583355_100012344913 [0,0,0,1,0,1|0,0,0]=2 8490 B12R2.225 Oc1ccccc1SC2CC2 62a_100000739446_100000211595 [0,0,0,1,0,1|0,0,0]=2 8491 B12R2.225 Oc1cccnc1SC2CC2 62a_100000034122_100000211595 [0,0,0,1,0,1|1,0,0]=3 8492 B12R2.225 Oc1cnccc1SC2CC2 62a_100009817591_100000211595 [0,0,0,1,0,1|1,0,0]=3 8493 B12R2.225 Oc1ncccc1SC2CC2 62a_100000760158_100000211595 [0,0,0,1,0,1|1,0,0]=3 8494 B12R2.225 Oc1ncncc1SC2CC2 62a_100000751107_100000211595 [0,0,0,1,0,1|2,0,0]=4 8495 B12R2.225 S=c1cc[nH]cc1SC2CC2 62a_200012280681_100000211595 [0,0,0,1,0,1|1,1,0]=4 8496 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,0,0,1,0,1|2,0,0]=4 8497 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,1,0,1,0,0|2,0,0]=4 8498 B12R2.2048 C=Cc1ccccc1C2CC2 271570a_100011290941_100009819954 [0,1,0,1,0,0|1,0,0]=3 8499 B12R2.2048 C=Cc1ncccc1C2CC2 271570a_100011290941_100009851976 [0,1,0,1,0,0|2,0,0]=4 8500 B12R2.2048 CCc1ccccc1C2CC2 271570a_100011220607_100011215823 [0,1,0,1,0,0|1,0,0]=3 8501 B12R2.2048 CCc1ccncc1C2CC2 271570a_100011220607_100009819861 [0,1,0,1,0,0|2,0,0]=4 8502 B12R2.2048 CCc1cnccc1C2CC2 271570a_100011220607_100025704421 [0,1,0,1,0,0|2,0,0]=4 8503 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [0,1,0,1,0,0|2,0,0]=4 8504 B12R2.2048 CNc1ccccc1C2CC2 271570a_100011220607_100020606079 [0,1,0,1,0,0|1,0,0]=3 8505 B12R2.2048 CNc1ccccc1C2CC2 34a_100011236190_200000210301 [0,1,0,1,0,0|1,0,0]=3 8506 B12R2.2048 CNc1cccnc1C2CC2 271570a_100011220607_200011806188 [0,1,0,1,0,0|2,0,0]=4 8507 B12R2.2048 CNc1ccncc1C2CC2 271570a_100011220607_100010069531 [0,1,0,1,0,0|2,0,0]=4 8508 B12R2.2048 CNc1ncccc1C2CC2 271570a_100011220607_100000700899 [0,1,0,1,0,0|2,0,0]=4 8509 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [0,1,0,1,0,0|0,0,0]=2 8510 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [0,1,0,1,0,0|1,0,0]=3 8511 B12R2.2048 COc1ccncc1C2CC2 271570a_100011220607_100011997281 [0,1,0,1,0,0|1,0,0]=3 8512 B12R2.2048 COc1cnccc1C2CC2 271570a_100011220607_100016988167 [0,1,0,1,0,0|1,0,0]=3 8513 B12R2.2048 COc1cncnc1C2CC2 271570a_100011220607_100012001275 [0,1,0,1,0,0|2,0,0]=4 8514 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [0,1,0,1,0,0|1,0,0]=3 8515 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,1,0,1,0,0|2,0,0]=4 8516 B12R2.2048 COc1ncncc1C2CC2 271570a_100011220607_100000719902 [0,1,0,1,0,0|2,0,0]=4 8517 B12R2.2048 CSc1ccccc1C2CC2 271570a_100011220607_100011217816 [0,1,0,1,0,0|0,1,0]=3 8518 B12R2.2048 CSc1ccccc1C2CC2 62a_100009819954_200000210301 [0,1,0,1,0,0|0,1,0]=3 8519 B12R2.2048 CSc1ccccc1C2CC2 62a_200000210301_100009819954 [0,1,0,1,0,0|0,1,0]=3 8520 B12R2.2048 CSc1ncccc1C2CC2 271570a_100011220607_100011465278 [0,1,0,1,0,0|1,1,0]=4 8521 B12R2.2048 CSc1ncccc1C2CC2 62a_200000210301_100009851976 [0,1,0,1,0,0|1,1,0]=4 8522 B12R2.2048 CSc1ncccc1C2CC2 62a_200009850273_200000210301 [0,1,0,1,0,0|1,1,0]=4 8523 B12R2.2048 N#Cc1ccccc1C2CC2 271570a_100011220607_100000188569 [0,1,0,1,0,0|1,0,0]=3 8524 B12R2.2048 N#Cc1cccnc1C2CC2 271570a_100011220607_100000211984 [0,1,0,1,0,0|2,0,0]=4 8525 B12R2.2048 N#Cc1ccncc1C2CC2 271570a_100011220607_100000684818 [0,1,0,1,0,0|2,0,0]=4 8526 B12R2.2048 N#Cc1cnccc1C2CC2 271570a_100011220607_100000687039 [0,1,0,1,0,0|2,0,0]=4 8527 B12R2.2048 N#Cc1ncccc1C2CC2 271570a_100011220607_100000685805 [0,1,0,1,0,0|2,0,0]=4 8528 B12R2.2048 NCc1ccccc1C2CC2 271570a_100011220607_100000689332 [0,1,0,1,0,0|1,0,0]=3 8529 B12R2.2048 NCc1cccnc1C2CC2 271570a_100011220607_100015189234 [0,1,0,1,0,0|2,0,0]=4 8530 B12R2.2048 NCc1ccncc1C2CC2 271570a_100011220607_100020640021 [0,1,0,1,0,0|2,0,0]=4 8531 B12R2.2048 NCc1ncccc1C2CC2 271570a_100011220607_100020591323 [0,1,0,1,0,0|2,0,0]=4 8532 B12R2.2048 NNc1ccccc1C2CC2 271570a_100011220607_100000241748 [0,1,0,1,0,0|1,0,0]=3 8533 B12R2.2048 NNc1ccncc1C2CC2 271570a_100011220607_100013404636 [0,1,0,1,0,0|2,0,0]=4 8534 B12R2.2048 NNc1ncccc1C2CC2 271570a_100011220607_100011464834 [0,1,0,1,0,0|2,0,0]=4 8535 B12R2.2048 O=Cc1ccccc1C2CC2 271570a_100011220607_100000211189 [0,1,0,1,0,0|0,0,1]=3 8536 B12R2.2048 O=Cc1cccnc1C2CC2 271570a_100011220607_100009816751 [0,1,0,1,0,0|1,0,1]=4 8537 B12R2.2048 O=Cc1ccncc1C2CC2 271570a_100011220607_100011934409 [0,1,0,1,0,0|1,0,1]=4 8538 B12R2.2048 O=Cc1cnccc1C2CC2 271570a_100011220607_100000050567 [0,1,0,1,0,0|1,0,1]=4 8539 B12R2.2048 O=Cc1ncccc1C2CC2 271570a_100011220607_100011934733 [0,1,0,1,0,0|1,0,1]=4 8540 B12R2.2048 OCc1ccccc1C2CC2 271570a_100011220607_100000187465 [0,1,0,1,0,0|0,0,0]=2 8541 B12R2.2048 OCc1cccnc1C2CC2 271570a_100011220607_100000748726 [0,1,0,1,0,0|1,0,0]=3 8542 B12R2.2048 OCc1ccncc1C2CC2 271570a_100011220607_100009873359 [0,1,0,1,0,0|1,0,0]=3 8543 B12R2.2048 OCc1cnccc1C2CC2 271570a_100011220607_100000117392 [0,1,0,1,0,0|1,0,0]=3 8544 B12R2.2048 OCc1ncccc1C2CC2 271570a_100011220607_100011996772 [0,1,0,1,0,0|1,0,0]=3 8545 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [0,1,0,1,0,0|2,0,0]=4 8546 B12R2.2048 [13CH3]Nc1ccccc1C2CC2 34a_100011236190_200025704644 [0,1,0,1,0,0|1,0,0]=3 8547 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_100009819954_200025704644 [0,1,0,1,0,0|0,1,0]=3 8548 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_200025704644_100009819954 [0,1,0,1,0,0|0,1,0]=3 8549 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200009850273_200025704644 [0,1,0,1,0,0|1,1,0]=4 8550 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200025704644_100009851976 [0,1,0,1,0,0|1,1,0]=4 8551 B12R2.88 NC1(CC1)c2ccccc2O 271570a_203496583355_200000691159 [0,1,0,1,0,0|0,0,0]=2 8552 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,1,0,0|0,0,2]=4 8553 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [0,1,0,1,0,0|1,0,1]=4 8554 B12R2.203 Cn1ccc2c1c(ccc2)O 271570a_203496583355_100009817156 [0,1,0,1,0,0|1,0,1]=4 8555 B12R2.203 Cn1cnc2c1c(ccc2)O 271570a_203496583355_100010749505 [0,1,0,1,0,0|1,0,1]=4 8556 B12R2.203 Cn1ncc2c1c(ccc2)O 271570a_203496583355_100009817178 [0,1,0,1,0,0|1,0,1]=4 8557 B12R2.203 NC1CCc2c1c(ccc2)O 271570a_203496583355_100103168669 [0,1,0,1,0,0|1,0,0]=3 8558 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|1,0,1]=4 8559 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|1,0,1]=4 8560 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [0,1,0,1,0,0|1,0,1]=4 8561 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [0,1,0,1,0,0|1,0,1]=4 8562 B12R2.203 Oc1cccc2c1C(CS2)O 271570a_203496583355_200010991195 [0,1,0,1,0,0|1,0,0]=3 8563 B12R2.240 Brc1cccc(c1C2CC2)Br 271570a_100011220607_100009994525 [0,1,0,1,0,0|1,0,0]=3 8564 B12R2.240 Brc1cncc(c1C2CC2)Br 271570a_100011220607_100010172828 [0,1,0,1,0,0|2,0,0]=4 8565 B12R2.240 Cc1ccc[n+](c1C2CC2)[O-] 271570a_100011220607_100116209805 [0,1,0,1,0,0|1,0,1]=4 8566 B12R2.240 Cc1cccc(c1C2CC2)C 271570a_100011220607_100000033847 [0,1,0,1,0,0|1,0,0]=3 8567 B12R2.240 Cc1cccc(c1C2CC2)Cl 271570a_100011220607_100000043165 [0,1,0,1,0,0|1,0,0]=3 8568 B12R2.240 Cc1cccc(c1C2CC2)F 271570a_100011220607_100012349962 [0,1,0,1,0,0|1,0,0]=3 8569 B12R2.240 Cc1cccc(c1C2CC2)N 271570a_100011220607_100000684715 [0,1,0,1,0,0|1,0,0]=3 8570 B12R2.240 Cc1cccc(c1C2CC2)O 271570a_100011220607_100000686692 [0,1,0,1,0,0|0,0,0]=2 8571 B12R2.240 Cc1ccnc(c1C2CC2)C 271570a_100011220607_100012000501 [0,1,0,1,0,0|2,0,0]=4 8572 B12R2.240 Cc1ccnc(c1C2CC2)F 271570a_100011220607_100009818256 [0,1,0,1,0,0|2,0,0]=4 8573 B12R2.240 Cc1ccnc(c1C2CC2)N 271570a_100011220607_100011998619 [0,1,0,1,0,0|2,0,0]=4 8574 B12R2.240 Cc1ccnc(c1C2CC2)O 271570a_100011220607_100012000493 [0,1,0,1,0,0|1,0,0]=3 8575 B12R2.240 Cc1cncc(c1C2CC2)C 271570a_100011220607_100009817138 [0,1,0,1,0,0|2,0,0]=4 8576 B12R2.240 Cc1nccc(c1C2CC2)N 271570a_100011220607_100010243816 [0,1,0,1,0,0|2,0,0]=4 8577 B12R2.240 Clc1cccc(c1C2CC2)Br 271570a_100011220607_100010214488 [0,1,0,1,0,0|1,0,0]=3 8578 B12R2.240 Clc1cccc(c1C2CC2)Cl 271570a_100011220607_100000034237 [0,1,0,1,0,0|1,0,0]=3 8579 B12R2.240 Clc1cncc(c1C2CC2)Cl 271570a_100011220607_100000036193 [0,1,0,1,0,0|2,0,0]=4 8580 B12R2.240 Fc1cccc(c1C2CC2)Br 271570a_100011220607_100011219512 [0,1,0,1,0,0|1,0,0]=3 8581 B12R2.240 Fc1cccc(c1C2CC2)Cl 271570a_100011220607_100000050007 [0,1,0,1,0,0|1,0,0]=3 8582 B12R2.240 Fc1cccc(c1C2CC2)F 271570a_100011220607_100000693133 [0,1,0,1,0,0|1,0,0]=3 8583 B12R2.240 Fc1ccnc(c1C2CC2)F 271570a_100011220607_100009874084 [0,1,0,1,0,0|2,0,0]=4 8584 B12R2.240 Fc1cncc(c1C2CC2)F 271570a_100011220607_100000760538 [0,1,0,1,0,0|2,0,0]=4 8585 B12R2.240 Nc1cccc(c1C2CC2)Br 271570a_100011220607_100020590159 [0,1,0,1,0,0|1,0,0]=3 8586 B12R2.240 Nc1cccc(c1C2CC2)Cl 271570a_100011220607_100000049713 [0,1,0,1,0,0|1,0,0]=3 8587 B12R2.240 Nc1cccc(c1C2CC2)F 271570a_100011220607_100011934729 [0,1,0,1,0,0|1,0,0]=3 8588 B12R2.240 Nc1cccc(c1C2CC2)O 271570a_100011220607_100012183704 [0,1,0,1,0,0|0,0,0]=2 8589 B12R2.240 Nc1ccnc(c1C2CC2)F 271570a_100011220607_100010381272 [0,1,0,1,0,0|2,0,0]=4 8590 B12R2.240 Nc1nccc(c1C2CC2)Cl 271570a_100011220607_100010199028 [0,1,0,1,0,0|2,0,0]=4 8591 B12R2.240 O=c1[nH]ncc(c1C2CC2)O 271570a_100011220607_100000116976 [0,1,0,1,0,0|2,0,0]=4 8592 B12R2.240 Oc1cccc(c1C2CC2)Br 271570a_100011220607_100010187912 [0,1,0,1,0,0|0,0,0]=2 8593 B12R2.240 Oc1cccc(c1C2CC2)Cl 271570a_100011220607_100000050174 [0,1,0,1,0,0|0,0,0]=2 8594 B12R2.240 Oc1cccc(c1C2CC2)F 271570a_100011220607_100009820682 [0,1,0,1,0,0|0,0,0]=2 8595 B12R2.240 Oc1cccc(c1C2CC2)F 271570a_203496583355_100010780639 [0,1,0,1,0,0|0,0,0]=2 8596 B12R2.240 Oc1cccc(c1C2CC2)O 271570a_100011220607_100010205330 [0,1,0,1,0,0|0,0,0]=2 8597 B12R2.240 Oc1ccnc(c1C2CC2)O 271570a_100011220607_200009817435 [0,1,0,1,0,0|1,0,0]=3 8598 B12R2.81 Cc1c(cccc1C2CC2)Br 271570a_100011220607_100012353703 [0,1,0,1,0,0|1,0,0]=3 8599 B12R2.81 Cc1c(cccc1C2CC2)Cl 271570a_100011220607_100000726075 [0,1,0,1,0,0|1,0,0]=3 8600 B12R2.81 Cc1c(cccc1C2CC2)F 271570a_100011220607_100011216893 [0,1,0,1,0,0|1,0,0]=3 8601 B12R2.81 Cc1c(cccc1C2CC2)N 271570a_100011220607_100000761887 [0,1,0,1,0,0|1,0,0]=3 8602 B12R2.81 Cc1c(cccc1C2CC2)O 271570a_100011220607_100012002258 [0,1,0,1,0,0|1,0,0]=3 8603 B12R2.81 Cc1c(ccnc1C2CC2)F 271570a_100011220607_100009846374 [0,1,0,1,0,0|2,0,0]=4 8604 B12R2.81 Cc1c(ccnc1C2CC2)N 271570a_100011220607_100009980296 [0,1,0,1,0,0|2,0,0]=4 8605 B12R2.81 Cc1c(ccnc1Cl)C2CC2 271570a_100011220607_100000047055 [0,1,0,1,0,0|2,0,0]=4 8606 B12R2.81 Cc1c(ccnc1F)C2CC2 271570a_100011220607_100010006593 [0,1,0,1,0,0|2,0,0]=4 8607 B12R2.81 Cc1c(ccnc1N)C2CC2 271570a_100011220607_100009865460 [0,1,0,1,0,0|2,0,0]=4 8608 B12R2.81 Cc1c(ccnc1O)C2CC2 271570a_100011220607_100009858498 [0,1,0,1,0,0|2,0,0]=4 8609 B12R2.81 Cc1c(cncc1C2CC2)Br 271570a_100011220607_100010109657 [0,1,0,1,0,0|2,0,0]=4 8610 B12R2.81 Cc1c(cncc1C2CC2)F 271570a_100011220607_100009881546 [0,1,0,1,0,0|2,0,0]=4 8611 B12R2.81 Cc1c(cncc1C2CC2)N 271570a_100011220607_100011998293 [0,1,0,1,0,0|2,0,0]=4 8612 B12R2.81 Cc1cccc(c1C)C2CC2 271570a_100011220607_100011214922 [0,1,0,1,0,0|1,0,0]=3 8613 B12R2.81 Cc1cccc(c1Cl)C2CC2 271570a_100011220607_200012352035 [0,1,0,1,0,0|1,0,0]=3 8614 B12R2.81 Cc1cccc(c1F)C2CC2 271570a_100011220607_100000717567 [0,1,0,1,0,0|1,0,0]=3 8615 B12R2.81 Cc1cccc(c1N)C2CC2 271570a_100011220607_100011834072 [0,1,0,1,0,0|1,0,0]=3 8616 B12R2.81 Cc1cccc(c1O)C2CC2 271570a_100011220607_100009817157 [0,1,0,1,0,0|0,0,0]=2 8617 B12R2.81 Cc1ccnc(c1C)C2CC2 271570a_100011220607_100009847204 [0,1,0,1,0,0|2,0,0]=4 8618 B12R2.81 Cc1ccnc(c1F)C2CC2 271570a_100011220607_100009817629 [0,1,0,1,0,0|2,0,0]=4 8619 B12R2.81 Cc1ccnc(c1N)C2CC2 271570a_100011220607_100000763560 [0,1,0,1,0,0|2,0,0]=4 8620 B12R2.81 Cc1ccnc(c1O)C2CC2 271570a_100011220607_100000696282 [0,1,0,1,0,0|1,0,0]=3 8621 B12R2.81 Cc1cncc(c1C)C2CC2 271570a_100011220607_100009864703 [0,1,0,1,0,0|2,0,0]=4 8622 B12R2.81 Cc1cncc(c1N)C2CC2 271570a_100011220607_100009818025 [0,1,0,1,0,0|2,0,0]=4 8623 B12R2.81 Cc1nccc(c1C)C2CC2 271570a_100011220607_100009846815 [0,1,0,1,0,0|2,0,0]=4 8624 B12R2.81 Cc1nccc(c1Cl)C2CC2 271570a_100011220607_100000698670 [0,1,0,1,0,0|2,0,0]=4 8625 B12R2.81 Cc1nccc(c1F)C2CC2 271570a_100011220607_100009849794 [0,1,0,1,0,0|2,0,0]=4 8626 B12R2.81 Cc1nccc(c1N)C2CC2 271570a_100011220607_100009885578 [0,1,0,1,0,0|2,0,0]=4 8627 B12R2.81 Clc1c(cccc1C2CC2)Br 271570a_100011220607_100010142854 [0,1,0,1,0,0|1,0,0]=3 8628 B12R2.81 Clc1cccc(c1Cl)C2CC2 271570a_100011220607_100011215384 [0,1,0,1,0,0|1,0,0]=3 8629 B12R2.81 Clc1nccc(c1Cl)C2CC2 271570a_100011220607_100010246212 [0,1,0,1,0,0|2,0,0]=4 8630 B12R2.81 Cn1c(cccc1=O)C2CC2 271570a_100011220607_100000726605 [0,1,0,1,0,0|2,0,0]=4 8631 B12R2.81 Cn1cccc(c1=O)C2CC2 271570a_100011220607_100000687173 [0,1,0,1,0,0|1,0,1]=4 8632 B12R2.81 Fc1c(cccc1C2CC2)Br 271570a_100011220607_100000702267 [0,1,0,1,0,0|1,0,0]=3 8633 B12R2.81 Fc1c(cccc1C2CC2)Cl 271570a_100011220607_100011217346 [0,1,0,1,0,0|1,0,0]=3 8634 B12R2.81 Fc1c(ccnc1Br)C2CC2 271570a_100011220607_200015269031 [0,1,0,1,0,0|2,0,0]=4 8635 B12R2.81 Fc1c(ccnc1Cl)C2CC2 271570a_100011220607_100010150473 [0,1,0,1,0,0|2,0,0]=4 8636 B12R2.81 Fc1cccc(c1Cl)C2CC2 271570a_100011220607_200010234923 [0,1,0,1,0,0|1,0,0]=3 8637 B12R2.81 Fc1cccc(c1F)C2CC2 271570a_100011220607_100000694657 [0,1,0,1,0,0|1,0,0]=3 8638 B12R2.81 Fc1nccc(c1Cl)C2CC2 271570a_100011220607_100010067886 [0,1,0,1,0,0|2,0,0]=4 8639 B12R2.81 Fc1nccc(c1F)C2CC2 271570a_100011220607_100010214882 [0,1,0,1,0,0|2,0,0]=4 8640 B12R2.81 Nc1c(cccc1C2CC2)Br 271570a_100011220607_100010146558 [0,1,0,1,0,0|1,0,0]=3 8641 B12R2.81 Nc1c(cccc1C2CC2)Cl 271570a_100011220607_100010190421 [0,1,0,1,0,0|1,0,0]=3 8642 B12R2.81 Nc1c(cccc1C2CC2)F 271570a_100011220607_100000042321 [0,1,0,1,0,0|1,0,0]=3 8643 B12R2.81 Nc1c(cccc1C2CC2)O 271570a_100011220607_100011934926 [0,1,0,1,0,0|1,0,0]=3 8644 B12R2.81 Nc1c(ccnc1C2CC2)O 271570a_100011220607_100000128729 [0,1,0,1,0,0|2,0,0]=4 8645 B12R2.81 Nc1c(cncc1C2CC2)Br 271570a_100011220607_100011290786 [0,1,0,1,0,0|2,0,0]=4 8646 B12R2.81 Nc1c(cncc1C2CC2)Cl 271570a_100011220607_100000684942 [0,1,0,1,0,0|2,0,0]=4 8647 B12R2.81 Nc1c(cncc1C2CC2)F 271570a_100011220607_100009880649 [0,1,0,1,0,0|2,0,0]=4 8648 B12R2.81 Nc1cccc(c1F)C2CC2 271570a_100011220607_100011935091 [0,1,0,1,0,0|1,0,0]=3 8649 B12R2.81 Nc1cccc(c1N)C2CC2 271570a_100011220607_100015191791 [0,1,0,1,0,0|1,0,0]=3 8650 B12R2.81 Nc1cccc(c1O)C2CC2 271570a_100011220607_100011934915 [0,1,0,1,0,0|0,0,0]=2 8651 B12R2.81 Nc1ccnc(c1F)C2CC2 271570a_100011220607_100015205195 [0,1,0,1,0,0|2,0,0]=4 8652 B12R2.81 Nc1ccnc(c1N)C2CC2 271570a_100011220607_100000085203 [0,1,0,1,0,0|2,0,0]=4 8653 B12R2.81 Nc1cncc(c1N)C2CC2 271570a_100011220607_100000694774 [0,1,0,1,0,0|2,0,0]=4 8654 B12R2.81 Nc1nccc(c1Cl)C2CC2 271570a_100011220607_100010735111 [0,1,0,1,0,0|2,0,0]=4 8655 B12R2.81 Nc1nccc(c1F)C2CC2 271570a_100011220607_100010077785 [0,1,0,1,0,0|2,0,0]=4 8656 B12R2.81 Nc1nccc(c1N)C2CC2 271570a_100011220607_100000124095 [0,1,0,1,0,0|2,0,0]=4 8657 B12R2.81 Oc1c(cccc1C2CC2)Br 271570a_100011220607_100010084509 [0,1,0,1,0,0|0,0,0]=2 8658 B12R2.81 Oc1c(cccc1C2CC2)Cl 271570a_100011220607_100010202889 [0,1,0,1,0,0|0,0,0]=2 8659 B12R2.81 Oc1c(cccc1C2CC2)F 271570a_100011220607_100009813666 [0,1,0,1,0,0|0,0,0]=2 8660 B12R2.81 Oc1c(ccnc1C2CC2)F 271570a_100011220607_100009867227 [0,1,0,1,0,0|1,0,0]=3 8661 B12R2.81 Oc1cccc(c1Br)C2CC2 271570a_100011220607_100010187914 [0,1,0,1,0,0|1,0,0]=3 8662 B12R2.81 Oc1cccc(c1Cl)C2CC2 271570a_100011220607_100000049636 [0,1,0,1,0,0|1,0,0]=3 8663 B12R2.81 Oc1cccc(c1F)C2CC2 271570a_100011220607_100009817021 [0,1,0,1,0,0|1,0,0]=3 8664 B12R2.81 Oc1cccc(c1O)C2CC2 271570a_100011220607_100009815950 [0,1,0,1,0,0|0,0,0]=2 8665 B12R2.81 Oc1cccc(c1O)C2CC2 271570a_203496583355_100010664954 [0,1,0,1,0,0|0,0,0]=2 8666 B12R2.81 Oc1ccnc(c1F)C2CC2 271570a_100011220607_100009876375 [0,1,0,1,0,0|2,0,0]=4 8667 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,1,0,1,0,0|2,0,0]=4 8668 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|1,0,0]=3 8669 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|1,0,1]=4 8670 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|2,0,0]=4 8671 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,1,0,1,0,0|2,0,0]=4 8672 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|0,0,2]=4 8673 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|1,0,1]=4 8674 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,1,0,1,0,0|2,0,0]=4 8675 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|1,0,0]=3 8676 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|1,0,1]=4 8677 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|2,0,0]=4 8678 B12R2.1317 Brc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100011484698 [0,1,0,1,0,0|1,0,0]=3 8679 B12R2.1317 Cc1c[n+](ccc1C2CC2)[O-] 271570a_100011220607_100000074940 [0,1,0,1,0,0|2,0,0]=4 8680 B12R2.1317 Cc1cc(c(cn1)C2CC2)C 271570a_100011220607_100009819613 [0,1,0,1,0,0|2,0,0]=4 8681 B12R2.1317 Cc1cc(c(cn1)C2CC2)N 271570a_100011220607_100009817891 [0,1,0,1,0,0|2,0,0]=4 8682 B12R2.1317 Cc1cc(c(cn1)C2CC2)O 271570a_100011220607_100011016184 [0,1,0,1,0,0|1,0,0]=3 8683 B12R2.1317 Cc1cc(ccc1C2CC2)Br 271570a_100011220607_100000701812 [0,1,0,1,0,0|1,0,0]=3 8684 B12R2.1317 Cc1cc(ccc1C2CC2)Cl 271570a_100011220607_100011219607 [0,1,0,1,0,0|1,0,0]=3 8685 B12R2.1317 Cc1cc(ccc1C2CC2)F 271570a_100011220607_100011205405 [0,1,0,1,0,0|1,0,0]=3 8686 B12R2.1317 Cc1cc(ccc1C2CC2)N 271570a_100011220607_100000210723 [0,1,0,1,0,0|1,0,0]=3 8687 B12R2.1317 Cc1cc(ccc1C2CC2)O 271570a_100011220607_100000729255 [0,1,0,1,0,0|1,0,0]=3 8688 B12R2.1317 Cc1cc(cnc1C2CC2)Br 271570a_100011220607_100012353652 [0,1,0,1,0,0|2,0,0]=4 8689 B12R2.1317 Cc1cc(cnc1C2CC2)F 271570a_100011220607_100009817009 [0,1,0,1,0,0|2,0,0]=4 8690 B12R2.1317 Cc1cc(cnc1C2CC2)N 271570a_100011220607_100000761747 [0,1,0,1,0,0|2,0,0]=4 8691 B12R2.1317 Cc1cc(cnc1C2CC2)O 271570a_100011220607_100012000486 [0,1,0,1,0,0|2,0,0]=4 8692 B12R2.1317 Cc1cc(ncc1C2CC2)Br 271570a_100011220607_100009816104 [0,1,0,1,0,0|2,0,0]=4 8693 B12R2.1317 Cc1cc(ncc1C2CC2)Cl 271570a_100011220607_100010172789 [0,1,0,1,0,0|2,0,0]=4 8694 B12R2.1317 Cc1cc(ncc1C2CC2)F 271570a_100011220607_100009820716 [0,1,0,1,0,0|2,0,0]=4 8695 B12R2.1317 Cc1cc(ncc1C2CC2)N 271570a_100011220607_100000050067 [0,1,0,1,0,0|2,0,0]=4 8696 B12R2.1317 Cc1cc(ncc1C2CC2)O 271570a_100011220607_100010114363 [0,1,0,1,0,0|2,0,0]=4 8697 B12R2.1317 Cc1ccc([n+](c1)[O-])C2CC2 271570a_100011220607_100009819918 [0,1,0,1,0,0|1,0,1]=4 8698 B12R2.1317 Cc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100009813563 [0,1,0,1,0,0|1,0,0]=3 8699 B12R2.1317 Cc1ccc(c(c1)C)C2CC2 271570a_100011220607_100011217332 [0,1,0,1,0,0|1,0,0]=3 8700 B12R2.1317 Cc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100011263221 [0,1,0,1,0,0|1,0,0]=3 8701 B12R2.1317 Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011216119 [0,1,0,1,0,0|1,0,0]=3 8702 B12R2.1317 Cc1ccc(c(c1)N)C2CC2 271570a_100011220607_100011216686 [0,1,0,1,0,0|1,0,0]=3 8703 B12R2.1317 Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100012002257 [0,1,0,1,0,0|0,0,0]=2 8704 B12R2.1317 Cc1ccc(c(n1)C)C2CC2 271570a_100011220607_100009813853 [0,1,0,1,0,0|2,0,0]=4 8705 B12R2.1317 Cc1ccc(c(n1)F)C2CC2 271570a_100011220607_100010006597 [0,1,0,1,0,0|2,0,0]=4 8706 B12R2.1317 Cc1ccc(c(n1)N)C2CC2 271570a_100011220607_100009816662 [0,1,0,1,0,0|2,0,0]=4 8707 B12R2.1317 Cc1ccc(c(n1)O)C2CC2 271570a_100011220607_100009817604 [0,1,0,1,0,0|1,0,0]=3 8708 B12R2.1317 Cc1cnc(c(c1)C)C2CC2 271570a_100011220607_100009864548 [0,1,0,1,0,0|2,0,0]=4 8709 B12R2.1317 Cc1cnc(c(c1)F)C2CC2 271570a_100011220607_100009819633 [0,1,0,1,0,0|2,0,0]=4 8710 B12R2.1317 Cc1cnc(c(c1)N)C2CC2 271570a_100011220607_100000733613 [0,1,0,1,0,0|2,0,0]=4 8711 B12R2.1317 Cc1cnc(c(c1)O)C2CC2 271570a_100011220607_100012000487 [0,1,0,1,0,0|1,0,0]=3 8712 B12R2.1317 Cc1nc(ccc1C2CC2)Cl 271570a_100011220607_100000062408 [0,1,0,1,0,0|2,0,0]=4 8713 B12R2.1317 Cc1nc(ccc1C2CC2)F 271570a_100011220607_100000688911 [0,1,0,1,0,0|2,0,0]=4 8714 B12R2.1317 Cc1nc(ccc1C2CC2)N 271570a_100011220607_100000013003 [0,1,0,1,0,0|2,0,0]=4 8715 B12R2.1317 Cc1nc(ccc1C2CC2)O 271570a_100011220607_100000691680 [0,1,0,1,0,0|2,0,0]=4 8716 B12R2.1317 Clc1cc(c(cn1)C2CC2)Cl 271570a_100011220607_100010200927 [0,1,0,1,0,0|2,0,0]=4 8717 B12R2.1317 Clc1cc(ccc1C2CC2)Br 271570a_100011220607_100011216062 [0,1,0,1,0,0|1,0,0]=3 8718 B12R2.1317 Clc1cc(ncc1C2CC2)Br 271570a_100011220607_100010381092 [0,1,0,1,0,0|2,0,0]=4 8719 B12R2.1317 Clc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100011219703 [0,1,0,1,0,0|1,0,0]=3 8720 B12R2.1317 Clc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000699841 [0,1,0,1,0,0|1,0,0]=3 8721 B12R2.1317 Clc1cnc(c(c1)Br)C2CC2 271570a_100011220607_100012154958 [0,1,0,1,0,0|2,0,0]=4 8722 B12R2.1317 Clc1nc(ccc1C2CC2)Br 271570a_100011220607_100010246183 [0,1,0,1,0,0|2,0,0]=4 8723 B12R2.1317 Fc1cc(c(cn1)C2CC2)Br 271570a_100011220607_100015451857 [0,1,0,1,0,0|2,0,0]=4 8724 B12R2.1317 Fc1cc(ccc1C2CC2)Br 271570a_100011220607_100009814013 [0,1,0,1,0,0|1,0,0]=3 8725 B12R2.1317 Fc1cc(ccc1C2CC2)Cl 271570a_100011220607_100011216042 [0,1,0,1,0,0|1,0,0]=3 8726 B12R2.1317 Fc1cc(cnc1C2CC2)Br 271570a_100011220607_100012348576 [0,1,0,1,0,0|2,0,0]=4 8727 B12R2.1317 Fc1cc(cnc1C2CC2)Cl 271570a_100011220607_100012348686 [0,1,0,1,0,0|2,0,0]=4 8728 B12R2.1317 Fc1cc(ncc1C2CC2)Cl 271570a_100011220607_100010128100 [0,1,0,1,0,0|2,0,0]=4 8729 B12R2.1317 Fc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100011217111 [0,1,0,1,0,0|1,0,0]=3 8730 B12R2.1317 Fc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000733362 [0,1,0,1,0,0|1,0,0]=3 8731 B12R2.1317 Fc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000750030 [0,1,0,1,0,0|1,0,0]=3 8732 B12R2.1317 Fc1ccc(c(n1)F)C2CC2 271570a_100011220607_100000070099 [0,1,0,1,0,0|2,0,0]=4 8733 B12R2.1317 Fc1cnc(c(c1)F)C2CC2 271570a_100011220607_100011219543 [0,1,0,1,0,0|2,0,0]=4 8734 B12R2.1317 Fc1nc(ccc1C2CC2)Cl 271570a_100011220607_100010168078 [0,1,0,1,0,0|2,0,0]=4 8735 B12R2.1317 Nc1[nH]c(=O)ccc1C2CC2 271570a_100011220607_100009884077 [0,1,0,1,0,0|2,0,0]=4 8736 B12R2.1317 Nc1cc(c(cn1)C2CC2)Br 271570a_100011220607_100010074611 [0,1,0,1,0,0|2,0,0]=4 8737 B12R2.1317 Nc1cc(c(cn1)C2CC2)Cl 271570a_100011220607_100000694920 [0,1,0,1,0,0|2,0,0]=4 8738 B12R2.1317 Nc1cc(c(cn1)C2CC2)F 271570a_100011220607_100009844730 [0,1,0,1,0,0|2,0,0]=4 8739 B12R2.1317 Nc1cc(c(cn1)C2CC2)N 271570a_100011220607_200009857908 [0,1,0,1,0,0|2,0,0]=4 8740 B12R2.1317 Nc1cc(ccc1C2CC2)Br 271570a_100011220607_100000743836 [0,1,0,1,0,0|1,0,0]=3 8741 B12R2.1317 Nc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000761886 [0,1,0,1,0,0|1,0,0]=3 8742 B12R2.1317 Nc1cc(ccc1C2CC2)F 271570a_100011220607_100011218093 [0,1,0,1,0,0|1,0,0]=3 8743 B12R2.1317 Nc1cc(ccc1C2CC2)O 271570a_100011220607_100011999798 [0,1,0,1,0,0|1,0,0]=3 8744 B12R2.1317 Nc1cc(cnc1C2CC2)Br 271570a_100011220607_100010090555 [0,1,0,1,0,0|2,0,0]=4 8745 B12R2.1317 Nc1cc(cnc1C2CC2)F 271570a_100011220607_100009817643 [0,1,0,1,0,0|2,0,0]=4 8746 B12R2.1317 Nc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100000750458 [0,1,0,1,0,0|1,0,0]=3 8747 B12R2.1317 Nc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000761885 [0,1,0,1,0,0|1,0,0]=3 8748 B12R2.1317 Nc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011356925 [0,1,0,1,0,0|1,0,0]=3 8749 B12R2.1317 Nc1ccc(c(c1)N)C2CC2 271570a_100011220607_200012175722 [0,1,0,1,0,0|1,0,0]=3 8750 B12R2.1317 Nc1ccc(c(n1)Br)C2CC2 271570a_100011220607_100010734177 [0,1,0,1,0,0|2,0,0]=4 8751 B12R2.1317 Nc1ccc(c(n1)Cl)C2CC2 271570a_100011220607_100010270343 [0,1,0,1,0,0|2,0,0]=4 8752 B12R2.1317 Nc1ccc(c(n1)F)C2CC2 271570a_100011220607_100009882772 [0,1,0,1,0,0|2,0,0]=4 8753 B12R2.1317 Nc1ccc(c(n1)N)C2CC2 271570a_100011220607_100011356871 [0,1,0,1,0,0|2,0,0]=4 8754 B12R2.1317 Nc1cnc(c(c1)F)C2CC2 271570a_100011220607_100010280766 [0,1,0,1,0,0|2,0,0]=4 8755 B12R2.1317 Nc1cnc(c(c1)N)C2CC2 271570a_100011220607_200000093520 [0,1,0,1,0,0|2,0,0]=4 8756 B12R2.1317 Nc1nc(ccc1C2CC2)Cl 271570a_100011220607_100010171640 [0,1,0,1,0,0|2,0,0]=4 8757 B12R2.1317 Nc1nc(ccc1C2CC2)F 271570a_100011220607_100009854977 [0,1,0,1,0,0|2,0,0]=4 8758 B12R2.1317 O=c1cc(c(c[nH]1)C2CC2)F 271570a_100011220607_100015631685 [0,1,0,1,0,0|2,0,0]=4 8759 B12R2.1317 Oc1cc(ccc1C2CC2)Br 271570a_100011220607_100012344904 [0,1,0,1,0,0|0,0,0]=2 8760 B12R2.1317 Oc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000050036 [0,1,0,1,0,0|0,0,0]=2 8761 B12R2.1317 Oc1cc(ccc1C2CC2)F 271570a_100011220607_100000690578 [0,1,0,1,0,0|0,0,0]=2 8762 B12R2.1317 Oc1cc(cnc1C2CC2)Br 271570a_100011220607_100010210634 [0,1,0,1,0,0|1,0,0]=3 8763 B12R2.1317 Oc1cc(cnc1C2CC2)Cl 271570a_100011220607_100010233512 [0,1,0,1,0,0|1,0,0]=3 8764 B12R2.1317 Oc1cc(cnc1C2CC2)F 271570a_100011220607_100000079967 [0,1,0,1,0,0|1,0,0]=3 8765 B12R2.1317 Oc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100000701344 [0,1,0,1,0,0|1,0,0]=3 8766 B12R2.1317 Oc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100000047559 [0,1,0,1,0,0|1,0,0]=3 8767 B12R2.1317 Oc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000755031 [0,1,0,1,0,0|1,0,0]=3 8768 B12R2.1317 Oc1ccc(c(c1)O)C2CC2 271570a_100011220607_100009813921 [0,1,0,1,0,0|0,0,0]=2 8769 B12R2.1317 Oc1ccc(c(n1)F)C2CC2 271570a_100011220607_100009879308 [0,1,0,1,0,0|2,0,0]=4 8770 B12R2.1317 Oc1cnc(c(c1)F)C2CC2 271570a_100011220607_100000063512 [0,1,0,1,0,0|2,0,0]=4 8771 B12R2.1317 [O-][n+]1cc(ccc1C2CC2)F 271570a_100011220607_100009817261 [0,1,0,1,0,0|1,0,1]=4 8772 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|0,0,2]=4 8773 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|1,0,1]=4 8774 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,1,0,1,0,0|2,0,0]=4 8775 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,1]=4 8776 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|2,0,0]=4 8777 B12R2.1316 Brc1cc(c(cn1)Br)C2CC2 271570a_100011220607_100010171693 [0,1,0,1,0,0|2,0,0]=4 8778 B12R2.1316 Brc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100011483371 [0,1,0,1,0,0|1,0,0]=3 8779 B12R2.1316 Cc1cc(c(cn1)C)C2CC2 271570a_100011220607_100009862788 [0,1,0,1,0,0|2,0,0]=4 8780 B12R2.1316 Cc1cc(c(cn1)F)C2CC2 271570a_100011220607_100009867690 [0,1,0,1,0,0|2,0,0]=4 8781 B12R2.1316 Cc1cc(c(cn1)O)C2CC2 271570a_100011220607_100009843476 [0,1,0,1,0,0|1,0,0]=3 8782 B12R2.1316 Cc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100012353751 [0,1,0,1,0,0|1,0,0]=3 8783 B12R2.1316 Cc1ccc(c(c1)C2CC2)C 271570a_100011220607_100000210833 [0,1,0,1,0,0|1,0,0]=3 8784 B12R2.1316 Cc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100012356289 [0,1,0,1,0,0|1,0,0]=3 8785 B12R2.1316 Cc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000736223 [0,1,0,1,0,0|1,0,0]=3 8786 B12R2.1316 Cc1ccc(c(c1)C2CC2)N 271570a_100011220607_100000210942 [0,1,0,1,0,0|1,0,0]=3 8787 B12R2.1316 Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000765521 [0,1,0,1,0,0|0,0,0]=2 8788 B12R2.1316 Cc1ccc(c(n1)C2CC2)C 271570a_100011220607_100009854376 [0,1,0,1,0,0|2,0,0]=4 8789 B12R2.1316 Cc1ccc(c(n1)C2CC2)F 271570a_100011220607_100009817602 [0,1,0,1,0,0|2,0,0]=4 8790 B12R2.1316 Cc1ccc(c(n1)C2CC2)N 271570a_100011220607_100000685570 [0,1,0,1,0,0|2,0,0]=4 8791 B12R2.1316 Cc1ccc(c(n1)C2CC2)O 271570a_100011220607_100000702858 [0,1,0,1,0,0|1,0,0]=3 8792 B12R2.1316 Cc1ccc(cc1C2CC2)Br 271570a_100011220607_100011344865 [0,1,0,1,0,0|1,0,0]=3 8793 B12R2.1316 Cc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011263213 [0,1,0,1,0,0|1,0,0]=3 8794 B12R2.1316 Cc1ccc(cc1C2CC2)F 271570a_100011220607_100011218078 [0,1,0,1,0,0|1,0,0]=3 8795 B12R2.1316 Cc1ccc(cc1C2CC2)N 271570a_100011220607_100000736455 [0,1,0,1,0,0|1,0,0]=3 8796 B12R2.1316 Cc1ccc(cc1C2CC2)O 271570a_100011220607_100011380479 [0,1,0,1,0,0|1,0,0]=3 8797 B12R2.1316 Cc1ccc(nc1C2CC2)N 271570a_100011220607_100000126722 [0,1,0,1,0,0|2,0,0]=4 8798 B12R2.1316 Cc1cnc(c(c1)C2CC2)C 271570a_100011220607_100009817436 [0,1,0,1,0,0|2,0,0]=4 8799 B12R2.1316 Cc1cnc(c(c1)C2CC2)Cl 271570a_100011220607_100010210167 [0,1,0,1,0,0|2,0,0]=4 8800 B12R2.1316 Cc1cnc(c(c1)C2CC2)F 271570a_100011220607_100000049784 [0,1,0,1,0,0|2,0,0]=4 8801 B12R2.1316 Cc1cnc(c(c1)C2CC2)N 271570a_100011220607_100000049664 [0,1,0,1,0,0|2,0,0]=4 8802 B12R2.1316 Cc1cnc(c(c1)C2CC2)O 271570a_100011220607_100000049931 [0,1,0,1,0,0|1,0,0]=3 8803 B12R2.1316 Cc1cnc(cc1C2CC2)Br 271570a_100011220607_100010067628 [0,1,0,1,0,0|2,0,0]=4 8804 B12R2.1316 Cc1cnc(cc1C2CC2)Cl 271570a_100011220607_100010068021 [0,1,0,1,0,0|2,0,0]=4 8805 B12R2.1316 Cc1cnc(cc1C2CC2)F 271570a_100011220607_100000049870 [0,1,0,1,0,0|2,0,0]=4 8806 B12R2.1316 Cc1cnc(cc1C2CC2)N 271570a_100011220607_100009819938 [0,1,0,1,0,0|2,0,0]=4 8807 B12R2.1316 Cc1cnc(cc1C2CC2)O 271570a_100011220607_100009831917 [0,1,0,1,0,0|2,0,0]=4 8808 B12R2.1316 Cc1ncc(cc1C2CC2)Br 271570a_100011220607_200010090566 [0,1,0,1,0,0|2,0,0]=4 8809 B12R2.1316 Cc1ncc(cc1C2CC2)F 271570a_100011220607_100009860710 [0,1,0,1,0,0|2,0,0]=4 8810 B12R2.1316 Cc1ncc(cc1C2CC2)N 271570a_100011220607_100011998591 [0,1,0,1,0,0|2,0,0]=4 8811 B12R2.1316 Cc1ncc(cc1C2CC2)O 271570a_100011220607_100009819603 [0,1,0,1,0,0|2,0,0]=4 8812 B12R2.1316 Clc1cc(c(cn1)Br)C2CC2 271570a_100011220607_100009815598 [0,1,0,1,0,0|2,0,0]=4 8813 B12R2.1316 Clc1cc(c(cn1)Cl)C2CC2 271570a_100011220607_100010172835 [0,1,0,1,0,0|2,0,0]=4 8814 B12R2.1316 Clc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100012339723 [0,1,0,1,0,0|1,0,0]=3 8815 B12R2.1316 Clc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100000707729 [0,1,0,1,0,0|1,0,0]=3 8816 B12R2.1316 Clc1ccc(cc1C2CC2)Br 271570a_100011220607_100011772130 [0,1,0,1,0,0|1,0,0]=3 8817 B12R2.1316 Clc1cnc(c(c1)C2CC2)Cl 271570a_100011220607_200000062399 [0,1,0,1,0,0|2,0,0]=4 8818 B12R2.1316 Clc1cnc(cc1C2CC2)Br 271570a_100011220607_100010223331 [0,1,0,1,0,0|2,0,0]=4 8819 B12R2.1316 Clc1ncc(cc1C2CC2)Br 271570a_100011220607_100009814771 [0,1,0,1,0,0|2,0,0]=4 8820 B12R2.1316 Cn1ccc(=O)c(c1)C2CC2 271570a_100011220607_100010750718 [0,1,0,1,0,0|1,0,1]=4 8821 B12R2.1316 Fc1cc(c(cn1)Cl)C2CC2 271570a_100011220607_100009892587 [0,1,0,1,0,0|2,0,0]=4 8822 B12R2.1316 Fc1cc(c(cn1)F)C2CC2 271570a_100011220607_100010233071 [0,1,0,1,0,0|2,0,0]=4 8823 B12R2.1316 Fc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100011217576 [0,1,0,1,0,0|1,0,0]=3 8824 B12R2.1316 Fc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100011217299 [0,1,0,1,0,0|1,0,0]=3 8825 B12R2.1316 Fc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000750033 [0,1,0,1,0,0|1,0,0]=3 8826 B12R2.1316 Fc1ccc(c(n1)C2CC2)F 271570a_100011220607_100010997973 [0,1,0,1,0,0|2,0,0]=4 8827 B12R2.1316 Fc1ccc(cc1C2CC2)Br 271570a_100011220607_100011217312 [0,1,0,1,0,0|1,0,0]=3 8828 B12R2.1316 Fc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011218116 [0,1,0,1,0,0|1,0,0]=3 8829 B12R2.1316 Fc1ccc(nc1C2CC2)Cl 271570a_100011220607_100010136221 [0,1,0,1,0,0|2,0,0]=4 8830 B12R2.1316 Fc1cnc(c(c1)C2CC2)F 271570a_100011220607_100009820768 [0,1,0,1,0,0|2,0,0]=4 8831 B12R2.1316 Fc1cnc(cc1C2CC2)Br 271570a_100011220607_100010193852 [0,1,0,1,0,0|2,0,0]=4 8832 B12R2.1316 Fc1cnc(cc1C2CC2)Cl 271570a_100011220607_100000708277 [0,1,0,1,0,0|2,0,0]=4 8833 B12R2.1316 Fc1ncc(cc1C2CC2)Br 271570a_100011220607_100010172738 [0,1,0,1,0,0|2,0,0]=4 8834 B12R2.1316 Fc1ncc(cc1C2CC2)Cl 271570a_100011220607_100010188783 [0,1,0,1,0,0|2,0,0]=4 8835 B12R2.1316 Nc1cc(c(cn1)Cl)C2CC2 271570a_100011220607_100010134119 [0,1,0,1,0,0|2,0,0]=4 8836 B12R2.1316 Nc1cc(c(cn1)F)C2CC2 271570a_100011220607_100015713587 [0,1,0,1,0,0|2,0,0]=4 8837 B12R2.1316 Nc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100000750459 [0,1,0,1,0,0|1,0,0]=3 8838 B12R2.1316 Nc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100012360549 [0,1,0,1,0,0|1,0,0]=3 8839 B12R2.1316 Nc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000760356 [0,1,0,1,0,0|1,0,0]=3 8840 B12R2.1316 Nc1ccc(c(c1)C2CC2)N 271570a_100011220607_100011534242 [0,1,0,1,0,0|1,0,0]=3 8841 B12R2.1316 Nc1ccc(c(c1)C2CC2)O 271570a_100011220607_100011534360 [0,1,0,1,0,0|0,0,0]=2 8842 B12R2.1316 Nc1ccc(c(c1)C2CC2)O 271570a_203496583355_100010281208 [0,1,0,1,0,0|0,0,0]=2 8843 B12R2.1316 Nc1ccc(c(n1)C2CC2)Br 271570a_100011220607_100010192275 [0,1,0,1,0,0|2,0,0]=4 8844 B12R2.1316 Nc1ccc(c(n1)C2CC2)F 271570a_100011220607_100010892222 [0,1,0,1,0,0|2,0,0]=4 8845 B12R2.1316 Nc1ccc(c(n1)C2CC2)N 271570a_100011220607_200009884323 [0,1,0,1,0,0|2,0,0]=4 8846 B12R2.1316 Nc1ccc(cc1C2CC2)Br 271570a_100011220607_100000187925 [0,1,0,1,0,0|1,0,0]=3 8847 B12R2.1316 Nc1ccc(cc1C2CC2)Cl 271570a_100011220607_100000761889 [0,1,0,1,0,0|1,0,0]=3 8848 B12R2.1316 Nc1ccc(cc1C2CC2)F 271570a_100011220607_100000760547 [0,1,0,1,0,0|1,0,0]=3 8849 B12R2.1316 Nc1ccc(cc1C2CC2)O 271570a_100011220607_100012001276 [0,1,0,1,0,0|1,0,0]=3 8850 B12R2.1316 Nc1ccc(cc1C2CC2)O 271570a_203496583355_100010997530 [0,1,0,1,0,0|1,0,0]=3 8851 B12R2.1316 Nc1ccc(nc1C2CC2)Br 271570a_100011220607_100010168765 [0,1,0,1,0,0|2,0,0]=4 8852 B12R2.1316 Nc1ccc(nc1C2CC2)Cl 271570a_100011220607_100010233647 [0,1,0,1,0,0|2,0,0]=4 8853 B12R2.1316 Nc1ccc(nc1C2CC2)F 271570a_100011220607_100009879877 [0,1,0,1,0,0|2,0,0]=4 8854 B12R2.1316 Nc1cnc(c(c1)C2CC2)Br 271570a_100011220607_100010201102 [0,1,0,1,0,0|2,0,0]=4 8855 B12R2.1316 Nc1cnc(c(c1)C2CC2)Cl 271570a_100011220607_100010253917 [0,1,0,1,0,0|2,0,0]=4 8856 B12R2.1316 Nc1cnc(c(c1)C2CC2)F 271570a_100011220607_100009840397 [0,1,0,1,0,0|2,0,0]=4 8857 B12R2.1316 Nc1cnc(c(c1)C2CC2)N 271570a_100011220607_200011934315 [0,1,0,1,0,0|2,0,0]=4 8858 B12R2.1316 Nc1cnc(cc1C2CC2)Cl 271570a_100011220607_100000050123 [0,1,0,1,0,0|2,0,0]=4 8859 B12R2.1316 Nc1ncc(cc1C2CC2)Br 271570a_100011220607_100000760472 [0,1,0,1,0,0|2,0,0]=4 8860 B12R2.1316 Nc1ncc(cc1C2CC2)Cl 271570a_100011220607_100000050159 [0,1,0,1,0,0|2,0,0]=4 8861 B12R2.1316 Nc1ncc(cc1C2CC2)F 271570a_100011220607_100009814671 [0,1,0,1,0,0|2,0,0]=4 8862 B12R2.1316 O=c1[nH]cc(cc1C2CC2)F 271570a_100011220607_100009817720 [0,1,0,1,0,0|1,0,1]=4 8863 B12R2.1316 O=c1cc(c(c[nH]1)F)C2CC2 271570a_100011220607_100009817642 [0,1,0,1,0,0|2,0,0]=4 8864 B12R2.1316 Oc1cc(c(nn1)O)C2CC2 271570a_100011220607_100000759565 [0,1,0,1,0,0|2,0,0]=4 8865 B12R2.1316 Oc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100012339312 [0,1,0,1,0,0|1,0,0]=3 8866 B12R2.1316 Oc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100000049588 [0,1,0,1,0,0|1,0,0]=3 8867 B12R2.1316 Oc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000693481 [0,1,0,1,0,0|1,0,0]=3 8868 B12R2.1316 Oc1ccc(c(c1)C2CC2)O 271570a_100011220607_100009813629 [0,1,0,1,0,0|0,0,0]=2 8869 B12R2.1316 Oc1ccc(cc1C2CC2)Br 271570a_100011220607_100012355227 [0,1,0,1,0,0|0,0,0]=2 8870 B12R2.1316 Oc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011356953 [0,1,0,1,0,0|0,0,0]=2 8871 B12R2.1316 Oc1ccc(cc1C2CC2)F 271570a_100011220607_100000211999 [0,1,0,1,0,0|0,0,0]=2 8872 B12R2.1316 Oc1ccc(nc1C2CC2)Br 271570a_100011220607_100010253912 [0,1,0,1,0,0|1,0,0]=3 8873 B12R2.1316 Oc1ccc(nc1C2CC2)Cl 271570a_100011220607_100000696390 [0,1,0,1,0,0|1,0,0]=3 8874 B12R2.1316 Oc1ccc(nc1C2CC2)F 271570a_100011220607_100010382442 [0,1,0,1,0,0|1,0,0]=3 8875 B12R2.1316 Oc1cnc(c(c1)C2CC2)F 271570a_100011220607_100009817267 [0,1,0,1,0,0|2,0,0]=4 8876 B12R2.1316 Oc1cnc(cc1C2CC2)Cl 271570a_100011220607_100000698892 [0,1,0,1,0,0|1,0,0]=3 8877 B12R2.1316 Oc1ncc(cc1C2CC2)Br 271570a_100011220607_100010197142 [0,1,0,1,0,0|1,0,0]=3 8878 B12R2.1316 Oc1ncc(cc1C2CC2)Cl 271570a_100011220607_100010188700 [0,1,0,1,0,0|1,0,0]=3 8879 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|1,0,0]=3 8880 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|1,0,0]=3 8881 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|0,0,0]=2 8882 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 8883 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 8884 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,0]=3 8885 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,0]=3 8886 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|1,0,0]=3 8887 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,0,2]=4 8888 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,0,1]=4 8889 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,0,1]=4 8890 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|0,0,0]=2 8891 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 8892 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 8893 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,0]=3 8894 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,0]=3 8895 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|1,0,0]=3 8896 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,0,2]=4 8897 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,0,1]=4 8898 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,0,1]=4 8899 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|1,0,1]=4 8900 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,1,0|1,0,0]=3 8901 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,0,0,0,1,0|1,0,0]=3 8902 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,0,0,0,1,0|2,0,0]=4 8903 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,0,0,0,1,0|2,0,0]=4 8904 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,0,0,0,1,0|2,0,0]=4 8905 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [1,0,0,0,1,0|2,0,0]=4 8906 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [1,0,0,0,1,0|2,0,0]=4 8907 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [1,0,0,0,1,0|2,0,0]=4 8908 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,0,0,0,1,0|2,0,0]=4 8909 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,0,0,0,0,2|0,0,2]=4 8910 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,0,0,0,0,2|0,0,2]=4 8911 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,0,0,0,0,2|0,0,2]=4 8912 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,0,0,0,2|1,0,1]=4 8913 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,0,0,0,0,2|1,0,1]=4 8914 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,0,0,0,0,2|1,0,1]=4 8915 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,0,0,0,0,2|1,0,1]=4 8916 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,0,0,0,0,2|1,0,1]=4 8917 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,0,0,0,0,2|1,0,1]=4 8918 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,0,0,0,0,2|1,0,1]=4 8919 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,0,0,0,0,2|1,0,1]=4 8920 B12R1.125 CC(C)C=Cc1c[nH]ccc1=O 271570a_100016257149_100009998708 [0,0,0,0,0,2|1,0,1]=4 8921 B12R1.125 CC(C)C=Cc1c[nH]ccc1=S 271570a_100016257149_200012280681 [0,0,0,0,0,2|1,1,0]=4 8922 B12R1.125 CC(C)C=Cc1ccc[nH]c1=O 271570a_100016257149_100000050042 [0,0,0,0,0,2|1,0,1]=4 8923 B12R1.125 CC(C)C=Cc1cccc[n+]1C 271570a_100016257149_100000212160 [0,0,0,0,0,2|2,0,0]=4 8924 B12R1.125 CC(C)C=Cc1cccc[n+]1[O-] 271570a_100016257149_200000042595 [0,0,0,0,0,2|1,0,1]=4 8925 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [0,0,0,0,0,2|1,0,0]=3 8926 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,0,0,0,0,2|1,0,0]=3 8927 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [0,0,0,0,0,2|1,0,0]=3 8928 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,0,0,0,0,2|1,0,0]=3 8929 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,0,0,0,0,2|0,0,0]=2 8930 B12R1.125 CC(C)C=Cc1cccnc1Br 271570a_100016257149_100010202626 [0,0,0,0,0,2|2,0,0]=4 8931 B12R1.125 CC(C)C=Cc1cccnc1Cl 271570a_100016257149_100000036424 [0,0,0,0,0,2|2,0,0]=4 8932 B12R1.125 CC(C)C=Cc1cccnc1F 271570a_100016257149_100009816115 [0,0,0,0,0,2|2,0,0]=4 8933 B12R1.125 CC(C)C=Cc1cccnc1N 271570a_100016257149_100000045569 [0,0,0,0,0,2|2,0,0]=4 8934 B12R1.125 CC(C)C=Cc1ccncc1Br 271570a_100016257149_100000726257 [0,0,0,0,0,2|2,0,0]=4 8935 B12R1.125 CC(C)C=Cc1ccncc1Cl 271570a_100016257149_100000708259 [0,0,0,0,0,2|2,0,0]=4 8936 B12R1.125 CC(C)C=Cc1ccncc1F 271570a_100016257149_100000047030 [0,0,0,0,0,2|2,0,0]=4 8937 B12R1.125 CC(C)C=Cc1ccncc1N 271570a_100016257149_100009815883 [0,0,0,0,0,2|2,0,0]=4 8938 B12R1.125 CC(C)C=Cc1ccncc1O 271570a_100016257149_100009817591 [0,0,0,0,0,2|1,0,0]=3 8939 B12R1.125 CC(C)C=Cc1cnccc1Br 271570a_100016257149_100010138639 [0,0,0,0,0,2|2,0,0]=4 8940 B12R1.125 CC(C)C=Cc1cnccc1Cl 271570a_100016257149_100009995489 [0,0,0,0,0,2|2,0,0]=4 8941 B12R1.125 CC(C)C=Cc1cnccc1F 271570a_100016257149_100009820683 [0,0,0,0,0,2|2,0,0]=4 8942 B12R1.125 CC(C)C=Cc1cnccc1N 271570a_100016257149_100000047001 [0,0,0,0,0,2|2,0,0]=4 8943 B12R1.125 CC(C)C=Cc1cncnc1O 271570a_100016257149_100000751107 [0,0,0,0,0,2|2,0,0]=4 8944 B12R1.125 CC(C)C=Cc1ncccc1Br 271570a_100016257149_100000696092 [0,0,0,0,0,2|2,0,0]=4 8945 B12R1.125 CC(C)C=Cc1ncccc1Cl 271570a_100016257149_100011356963 [0,0,0,0,0,2|2,0,0]=4 8946 B12R1.125 CC(C)C=Cc1ncccc1F 271570a_100016257149_100000685392 [0,0,0,0,0,2|2,0,0]=4 8947 B12R1.125 CC(C)C=Cc1ncccc1N 271570a_100016257149_100000688686 [0,0,0,0,0,2|2,0,0]=4 8948 B12R1.125 CC(C)C=Cc1ncccc1O 271570a_100016257149_100000034122 [0,0,0,0,0,2|1,0,0]=3 8949 B12R1.125 CC(C)CCc1ncncc1O 271570a_203496583355_200009816994 [0,0,0,0,0,2|2,0,0]=4 8950 B12R1.125 CC(C)CNc1ccccc1Br 34a_100000210017_100000210624 [0,0,0,0,0,2|1,0,0]=3 8951 B12R1.125 CC(C)CNc1ccccc1Cl 34a_100000185783_100000210624 [0,0,0,0,0,2|1,0,0]=3 8952 B12R1.125 CC(C)CNc1ccccc1F 34a_100000210422_100000210624 [0,0,0,0,0,2|1,0,0]=3 8953 B12R1.125 CC(C)CNc1ccccc1I 34a_100000210053_100000210624 [0,0,0,0,0,2|1,0,0]=3 8954 B12R1.125 CC(C)CNc1ccccc1O 34a_100000185747_100000210624 [0,0,0,0,0,2|0,0,0]=2 8955 B12R1.125 CC(C)CNc1ccncc1Br 27a_100000210953_100000726257 [0,0,0,0,0,2|2,0,0]=4 8956 B12R1.125 CC(C)CNc1ccncc1F 27a_100000210953_100000035921 [0,0,0,0,0,2|2,0,0]=4 8957 B12R1.125 CC(C)CNc1ncccc1Br 27a_100000210953_100000696092 [0,0,0,0,0,2|2,0,0]=4 8958 B12R1.125 CC(C)COc1cccc[n+]1[O-] 7a_100000211761_100000210760 [0,0,0,0,0,2|1,0,1]=4 8959 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,0,0,0,0,2|1,0,0]=3 8960 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,0,0,0,0,2|1,0,0]=3 8961 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,0,0,0,0,2|1,0,0]=3 8962 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,0,0,0,0,2|1,0,0]=3 8963 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,0,0,0,0,2|1,0,0]=3 8964 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,0,0,0,0,2|1,0,0]=3 8965 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,0,0,0,0,2|1,0,0]=3 8966 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,0,0,0,0,2|1,0,0]=3 8967 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,0,0,0,0,2|1,0,0]=3 8968 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,0,0,0,0,2|1,0,0]=3 8969 B12R1.125 CC(C)COc1cccnc1Br 34a_100000744436_100000210624 [0,0,0,0,0,2|2,0,0]=4 8970 B12R1.125 CC(C)COc1cccnc1Br 7a_100000744436_100000210760 [0,0,0,0,0,2|2,0,0]=4 8971 B12R1.125 CC(C)COc1cccnc1Cl 34a_100000757616_100000210624 [0,0,0,0,0,2|2,0,0]=4 8972 B12R1.125 CC(C)COc1cccnc1Cl 7a_100000757616_100000210760 [0,0,0,0,0,2|2,0,0]=4 8973 B12R1.125 CC(C)COc1cccnc1F 34a_100000061740_100000210624 [0,0,0,0,0,2|2,0,0]=4 8974 B12R1.125 CC(C)COc1cccnc1F 7a_100000061740_100000210760 [0,0,0,0,0,2|2,0,0]=4 8975 B12R1.125 CC(C)COc1cccnc1I 34a_100000034122_100000210624 [0,0,0,0,0,2|2,0,0]=4 8976 B12R1.125 CC(C)COc1cccnc1I 7a_100000034122_100000210760 [0,0,0,0,0,2|2,0,0]=4 8977 B12R1.125 CC(C)COc1cccnc1N 34a_100000211975_100000210624 [0,0,0,0,0,2|2,0,0]=4 8978 B12R1.125 CC(C)COc1cccnc1N 7a_100000211975_100000210760 [0,0,0,0,0,2|2,0,0]=4 8979 B12R1.125 CC(C)COc1cccoc1=O 34a_100000077404_100000210624 [0,0,0,0,0,2|1,0,1]=4 8980 B12R1.125 CC(C)COc1cccoc1=O 7a_100000077404_100000210760 [0,0,0,0,0,2|1,0,1]=4 8981 B12R1.125 CC(C)COc1ccncc1Br 34a_100011996408_100000210624 [0,0,0,0,0,2|2,0,0]=4 8982 B12R1.125 CC(C)COc1ccncc1Cl 34a_100011997054_100000210624 [0,0,0,0,0,2|2,0,0]=4 8983 B12R1.125 CC(C)COc1ccncc1F 34a_200000081243_100000210624 [0,0,0,0,0,2|2,0,0]=4 8984 B12R1.125 CC(C)COc1cnccc1Cl 34a_100011996695_100000210624 [0,0,0,0,0,2|2,0,0]=4 8985 B12R1.125 CC(C)COc1cnccc1I 34a_100000050107_100000210624 [0,0,0,0,0,2|2,0,0]=4 8986 B12R1.125 CC(C)COc1cnccc1N 34a_100000753702_100000210624 [0,0,0,0,0,2|2,0,0]=4 8987 B12R1.125 CC(C)COc1coccc1=O 34a_100000060831_100000210624 [0,0,0,0,0,2|1,0,1]=4 8988 B12R1.125 CC(C)COc1ncccc1Cl 34a_100011290957_100000210624 [0,0,0,0,0,2|2,0,0]=4 8989 B12R1.125 CC(C)COc1ncccc1F 34a_100011219419_100000210624 [0,0,0,0,0,2|2,0,0]=4 8990 B12R1.125 CC(C)COc1ncccc1N 34a_100000746358_100000210624 [0,0,0,0,0,2|2,0,0]=4 8991 B12R1.125 CC(C)CSc1c[nH]ccc1=O 62a_100000210624_100009998708 [0,0,0,0,0,2|1,0,1]=4 8992 B12R1.125 CC(C)CSc1c[nH]ccc1=O 62a_100009998708_100000210760 [0,0,0,0,0,2|1,0,1]=4 8993 B12R1.125 CC(C)CSc1c[nH]ccc1=S 62a_100000210624_200012280681 [0,0,0,0,0,2|1,1,0]=4 8994 B12R1.125 CC(C)CSc1c[nH]ccc1=S 62a_200012280681_100000210760 [0,0,0,0,0,2|1,1,0]=4 8995 B12R1.125 CC(C)CSc1cccc[n+]1C 62a_100000210624_100000212160 [0,0,0,0,0,2|2,0,0]=4 8996 B12R1.125 CC(C)CSc1cccc[n+]1[O-] 62a_100000210624_200000042595 [0,0,0,0,0,2|1,0,1]=4 8997 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000210624_100000695589 [0,0,0,0,0,2|1,0,0]=3 8998 B12R1.125 CC(C)CSc1ccccc1Br 62a_100000695589_100000210760 [0,0,0,0,0,2|1,0,0]=3 8999 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000210624_100000764095 [0,0,0,0,0,2|1,0,0]=3 9000 B12R1.125 CC(C)CSc1ccccc1Cl 62a_100000764095_100000210760 [0,0,0,0,0,2|1,0,0]=3 9001 B12R1.125 CC(C)CSc1ccccc1F 62a_100000210624_100011215700 [0,0,0,0,0,2|1,0,0]=3 9002 B12R1.125 CC(C)CSc1ccccc1F 62a_100011215700_100000210760 [0,0,0,0,0,2|1,0,0]=3 9003 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210017_100000210760 [0,0,0,0,0,2|1,0,0]=3 9004 B12R1.125 CC(C)CSc1ccccc1N 62a_100000210624_100000210017 [0,0,0,0,0,2|1,0,0]=3 9005 B12R1.125 CC(C)CSc1ccccc1O 62a_100000210624_100000739446 [0,0,0,0,0,2|0,0,0]=2 9006 B12R1.125 CC(C)CSc1ccccc1O 62a_100000739446_100000210760 [0,0,0,0,0,2|0,0,0]=2 9007 B12R1.125 CC(C)CSc1cccnc1Br 62a_100000210624_100010202626 [0,0,0,0,0,2|2,0,0]=4 9008 B12R1.125 CC(C)CSc1cccnc1Br 62a_100010202626_100000210760 [0,0,0,0,0,2|2,0,0]=4 9009 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000036424_100000210760 [0,0,0,0,0,2|2,0,0]=4 9010 B12R1.125 CC(C)CSc1cccnc1Cl 62a_100000210624_100000036424 [0,0,0,0,0,2|2,0,0]=4 9011 B12R1.125 CC(C)CSc1cccnc1F 62a_100000210624_100009816115 [0,0,0,0,0,2|2,0,0]=4 9012 B12R1.125 CC(C)CSc1cccnc1F 62a_100009816115_100000210760 [0,0,0,0,0,2|2,0,0]=4 9013 B12R1.125 CC(C)CSc1cccnc1N 62a_100000045569_100000210760 [0,0,0,0,0,2|2,0,0]=4 9014 B12R1.125 CC(C)CSc1cccnc1N 62a_100000210624_100000045569 [0,0,0,0,0,2|2,0,0]=4 9015 B12R1.125 CC(C)CSc1cccnc1O 62a_100000210624_100000760158 [0,0,0,0,0,2|1,0,0]=3 9016 B12R1.125 CC(C)CSc1cccnc1O 62a_100000760158_100000210760 [0,0,0,0,0,2|1,0,0]=3 9017 B12R1.125 CC(C)CSc1ccncc1Br 62a_100000210624_100000726257 [0,0,0,0,0,2|2,0,0]=4 9018 B12R1.125 CC(C)CSc1ccncc1Br 62a_100000726257_100000210760 [0,0,0,0,0,2|2,0,0]=4 9019 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000210624_100000708259 [0,0,0,0,0,2|2,0,0]=4 9020 B12R1.125 CC(C)CSc1ccncc1Cl 62a_100000708259_100000210760 [0,0,0,0,0,2|2,0,0]=4 9021 B12R1.125 CC(C)CSc1ccncc1F 62a_100000047030_100000210760 [0,0,0,0,0,2|2,0,0]=4 9022 B12R1.125 CC(C)CSc1ccncc1F 62a_100000210624_100000047030 [0,0,0,0,0,2|2,0,0]=4 9023 B12R1.125 CC(C)CSc1ccncc1N 62a_100000210624_100000756074 [0,0,0,0,0,2|2,0,0]=4 9024 B12R1.125 CC(C)CSc1ccncc1N 62a_100000756074_100000210760 [0,0,0,0,0,2|2,0,0]=4 9025 B12R1.125 CC(C)CSc1ccncc1O 62a_100000210624_100009817591 [0,0,0,0,0,2|1,0,0]=3 9026 B12R1.125 CC(C)CSc1ccncc1O 62a_100009817591_100000210760 [0,0,0,0,0,2|1,0,0]=3 9027 B12R1.125 CC(C)CSc1cnccc1Br 62a_100000210624_100010138639 [0,0,0,0,0,2|2,0,0]=4 9028 B12R1.125 CC(C)CSc1cnccc1Br 62a_100010138639_100000210760 [0,0,0,0,0,2|2,0,0]=4 9029 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100000210624_100009995489 [0,0,0,0,0,2|2,0,0]=4 9030 B12R1.125 CC(C)CSc1cnccc1Cl 62a_100009995489_100000210760 [0,0,0,0,0,2|2,0,0]=4 9031 B12R1.125 CC(C)CSc1cnccc1F 62a_100000210624_100009820683 [0,0,0,0,0,2|2,0,0]=4 9032 B12R1.125 CC(C)CSc1cnccc1F 62a_100009820683_100000210760 [0,0,0,0,0,2|2,0,0]=4 9033 B12R1.125 CC(C)CSc1cnccc1N 62a_100000047001_100000210760 [0,0,0,0,0,2|2,0,0]=4 9034 B12R1.125 CC(C)CSc1cnccc1N 62a_100000210624_100000047001 [0,0,0,0,0,2|2,0,0]=4 9035 B12R1.125 CC(C)CSc1cncnc1O 62a_100000210624_100000751107 [0,0,0,0,0,2|2,0,0]=4 9036 B12R1.125 CC(C)CSc1cncnc1O 62a_100000751107_100000210760 [0,0,0,0,0,2|2,0,0]=4 9037 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000210624_100000696092 [0,0,0,0,0,2|2,0,0]=4 9038 B12R1.125 CC(C)CSc1ncccc1Br 62a_100000696092_100000210760 [0,0,0,0,0,2|2,0,0]=4 9039 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100000210624_100011356963 [0,0,0,0,0,2|2,0,0]=4 9040 B12R1.125 CC(C)CSc1ncccc1Cl 62a_100011356963_100000210760 [0,0,0,0,0,2|2,0,0]=4 9041 B12R1.125 CC(C)CSc1ncccc1F 62a_100000210624_100000685392 [0,0,0,0,0,2|2,0,0]=4 9042 B12R1.125 CC(C)CSc1ncccc1F 62a_100000685392_100000210760 [0,0,0,0,0,2|2,0,0]=4 9043 B12R1.125 CC(C)CSc1ncccc1N 62a_100000210624_100000688686 [0,0,0,0,0,2|2,0,0]=4 9044 B12R1.125 CC(C)CSc1ncccc1N 62a_100000688686_100000210760 [0,0,0,0,0,2|2,0,0]=4 9045 B12R1.125 CC(C)CSc1ncccc1O 62a_100000034122_100000210760 [0,0,0,0,0,2|1,0,0]=3 9046 B12R1.125 CC(C)CSc1ncccc1O 62a_100000210624_100000034122 [0,0,0,0,0,2|1,0,0]=3 9047 B12R1.125 CC(C)NCc1ccccc1Br 207a_100138425928_100000211189 [0,0,0,0,0,2|1,0,0]=3 9048 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100000689332_100000210206 [0,0,0,0,0,2|1,0,0]=3 9049 B12R1.125 CC(C)NCc1ccccc1Br 2230a_100138425928_100000184730 [0,0,0,0,0,2|1,0,0]=3 9050 B12R1.125 CC(C)NCc1ccccc1Br 34a_100000689332_100000210206 [0,0,0,0,0,2|1,0,0]=3 9051 B12R1.125 CC(C)NCc1ccccc1Br 34a_100138425928_100000184730 [0,0,0,0,0,2|1,0,0]=3 9052 B12R1.125 CC(C)NCc1ccccc1Cl 207a_100138425928_100000210073 [0,0,0,0,0,2|1,0,0]=3 9053 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100000174879_100000210206 [0,0,0,0,0,2|1,0,0]=3 9054 B12R1.125 CC(C)NCc1ccccc1Cl 2230a_100138425928_100000187162 [0,0,0,0,0,2|1,0,0]=3 9055 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100000174879_100000210206 [0,0,0,0,0,2|1,0,0]=3 9056 B12R1.125 CC(C)NCc1ccccc1Cl 34a_100138425928_100000187162 [0,0,0,0,0,2|1,0,0]=3 9057 B12R1.125 CC(C)NCc1ccccc1F 207a_100138425928_100000210811 [0,0,0,0,0,2|1,0,0]=3 9058 B12R1.125 CC(C)NCc1ccccc1F 2230a_100138425928_100000211605 [0,0,0,0,0,2|1,0,0]=3 9059 B12R1.125 CC(C)NCc1ccccc1F 34a_100000174869_100000210206 [0,0,0,0,0,2|1,0,0]=3 9060 B12R1.125 CC(C)NCc1ccccc1F 34a_100138425928_100000211605 [0,0,0,0,0,2|1,0,0]=3 9061 B12R1.125 CC(C)NCc1ccccc1I 207a_100138425928_100000010305 [0,0,0,0,0,2|1,0,0]=3 9062 B12R1.125 CC(C)NCc1ccccc1I 2230a_100138425928_100011215278 [0,0,0,0,0,2|1,0,0]=3 9063 B12R1.125 CC(C)NCc1ccccc1I 34a_100138425928_100011215278 [0,0,0,0,0,2|1,0,0]=3 9064 B12R1.125 CC(C)NCc1ccccc1O 271570a_203496583355_100000195800 [0,0,0,0,0,2|0,0,0]=2 9065 B12R1.125 CC(C)NCc1ccccc1O 34a_100000185550_100000210206 [0,0,0,0,0,2|0,0,0]=2 9066 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100009818023_100000210206 [0,0,0,0,0,2|2,0,0]=4 9067 B12R1.125 CC(C)NCc1cccnc1Br 2230a_100138425928_100010140945 [0,0,0,0,0,2|2,0,0]=4 9068 B12R1.125 CC(C)NCc1cccnc1Br 34a_100009818023_100000210206 [0,0,0,0,0,2|2,0,0]=4 9069 B12R1.125 CC(C)NCc1cccnc1Br 34a_100138425928_100010140945 [0,0,0,0,0,2|2,0,0]=4 9070 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100015189234_100000210206 [0,0,0,0,0,2|2,0,0]=4 9071 B12R1.125 CC(C)NCc1cccnc1Cl 2230a_100138425928_100000045678 [0,0,0,0,0,2|2,0,0]=4 9072 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100015189234_100000210206 [0,0,0,0,0,2|2,0,0]=4 9073 B12R1.125 CC(C)NCc1cccnc1Cl 34a_100138425928_100000045678 [0,0,0,0,0,2|2,0,0]=4 9074 B12R1.125 CC(C)NCc1cccnc1F 2230a_100138425928_100000099810 [0,0,0,0,0,2|2,0,0]=4 9075 B12R1.125 CC(C)NCc1cccnc1F 34a_100000724633_100000210206 [0,0,0,0,0,2|2,0,0]=4 9076 B12R1.125 CC(C)NCc1cccnc1F 34a_100138425928_100000099810 [0,0,0,0,0,2|2,0,0]=4 9077 B12R1.125 CC(C)NCc1cccnc1O 207a_100138425928_100011998315 [0,0,0,0,0,2|1,0,0]=3 9078 B12R1.125 CC(C)NCc1ccncc1Cl 207a_100138425928_100011934409 [0,0,0,0,0,2|2,0,0]=4 9079 B12R1.125 CC(C)NCc1ccncc1Cl 2230a_100138425928_100000763264 [0,0,0,0,0,2|2,0,0]=4 9080 B12R1.125 CC(C)NCc1ccncc1F 34a_100011935246_100000210206 [0,0,0,0,0,2|2,0,0]=4 9081 B12R1.125 CC(C)NCc1ncccc1Br 207a_100138425928_100011934733 [0,0,0,0,0,2|2,0,0]=4 9082 B12R1.125 CC(C)NCc1ncccc1Br 2230a_100138425928_100025702911 [0,0,0,0,0,2|2,0,0]=4 9083 B12R1.125 CC(C)NCc1ncccc1Br 34a_100138425928_100025702911 [0,0,0,0,0,2|2,0,0]=4 9084 B12R1.125 CC(C)NCc1ncccc1Cl 207a_100138425928_100012001307 [0,0,0,0,0,2|2,0,0]=4 9085 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100015189233_100000210206 [0,0,0,0,0,2|2,0,0]=4 9086 B12R1.125 CC(C)NCc1ncccc1Cl 2230a_100138425928_100000099807 [0,0,0,0,0,2|2,0,0]=4 9087 B12R1.125 CC(C)NCc1ncccc1F 207a_100138425928_100011934734 [0,0,0,0,0,2|2,0,0]=4 9088 B12R1.125 CC(C)NCc1ncccc1F 2230a_100138425928_100000104219 [0,0,0,0,0,2|2,0,0]=4 9089 B12R1.125 CC(C)NCc1ncccc1F 34a_100000690088_100000210206 [0,0,0,0,0,2|2,0,0]=4 9090 B12R1.125 CC(C)NCc1ncccc1F 34a_100138425928_100000104219 [0,0,0,0,0,2|2,0,0]=4 9091 B12R1.125 CC(C)NCc1ncccc1O 34a_100138425928_200020655725 [0,0,0,0,0,2|1,0,0]=3 9092 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000212225_100000184730 [0,0,0,0,0,2|1,0,0]=3 9093 B12R1.125 CC(C)OCc1ccccc1Br 34a_100000756307_100000210206 [0,0,0,0,0,2|1,0,0]=3 9094 B12R1.125 CC(C)OCc1ccccc1Br 7a_100000756307_100000210206 [0,0,0,0,0,2|1,0,0]=3 9095 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000210847_100000210206 [0,0,0,0,0,2|1,0,0]=3 9096 B12R1.125 CC(C)OCc1ccccc1Cl 34a_100000212225_100000187162 [0,0,0,0,0,2|1,0,0]=3 9097 B12R1.125 CC(C)OCc1ccccc1Cl 7a_100000210847_100000210206 [0,0,0,0,0,2|1,0,0]=3 9098 B12R1.125 CC(C)OCc1ccccc1F 34a_100000211962_100000210206 [0,0,0,0,0,2|1,0,0]=3 9099 B12R1.125 CC(C)OCc1ccccc1F 34a_100000212225_100000211605 [0,0,0,0,0,2|1,0,0]=3 9100 B12R1.125 CC(C)OCc1ccccc1F 7a_100000211962_100000210206 [0,0,0,0,0,2|1,0,0]=3 9101 B12R1.125 CC(C)OCc1ccccc1I 34a_100000187465_100000210206 [0,0,0,0,0,2|1,0,0]=3 9102 B12R1.125 CC(C)OCc1ccccc1I 34a_100000212225_100011215278 [0,0,0,0,0,2|1,0,0]=3 9103 B12R1.125 CC(C)OCc1ccccc1I 7a_100000187465_100000210206 [0,0,0,0,0,2|1,0,0]=3 9104 B12R1.125 CC(C)OCc1ccccc1N 34a_100000212039_100000210206 [0,0,0,0,0,2|1,0,0]=3 9105 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000212225_100010140945 [0,0,0,0,0,2|2,0,0]=4 9106 B12R1.125 CC(C)OCc1cccnc1Br 34a_100000719692_100000210206 [0,0,0,0,0,2|2,0,0]=4 9107 B12R1.125 CC(C)OCc1cccnc1Br 7a_100000719692_100000210206 [0,0,0,0,0,2|2,0,0]=4 9108 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000212225_100000045678 [0,0,0,0,0,2|2,0,0]=4 9109 B12R1.125 CC(C)OCc1cccnc1Cl 34a_100000748726_100000210206 [0,0,0,0,0,2|2,0,0]=4 9110 B12R1.125 CC(C)OCc1cccnc1Cl 7a_100000748726_100000210206 [0,0,0,0,0,2|2,0,0]=4 9111 B12R1.125 CC(C)OCc1cccnc1F 34a_100000079888_100000210206 [0,0,0,0,0,2|2,0,0]=4 9112 B12R1.125 CC(C)OCc1cccnc1F 34a_100000212225_100000099810 [0,0,0,0,0,2|2,0,0]=4 9113 B12R1.125 CC(C)OCc1cccnc1F 7a_100000079888_100000210206 [0,0,0,0,0,2|2,0,0]=4 9114 B12R1.125 CC(C)OCc1ccncc1F 34a_100012172863_100000210206 [0,0,0,0,0,2|2,0,0]=4 9115 B12R1.125 CC(C)OCc1cnccc1Cl 34a_100000117392_100000210206 [0,0,0,0,0,2|2,0,0]=4 9116 B12R1.125 CC(C)OCc1ncccc1Br 34a_100000212225_100025702911 [0,0,0,0,0,2|2,0,0]=4 9117 B12R1.125 CC(C)OCc1ncccc1Br 34a_100011996772_100000210206 [0,0,0,0,0,2|2,0,0]=4 9118 B12R1.125 CC(C)OCc1ncccc1Cl 34a_100012002383_100000210206 [0,0,0,0,0,2|2,0,0]=4 9119 B12R1.125 CC(C)OCc1ncccc1F 34a_100000212225_100000104219 [0,0,0,0,0,2|2,0,0]=4 9120 B12R1.125 CC(C)OCc1ncccc1F 34a_100011934865_100000210206 [0,0,0,0,0,2|2,0,0]=4 9121 B12R1.125 CC(C)OCc1ncccc1N 34a_114873767017_100000210206 [0,0,0,0,0,2|2,0,0]=4 9122 B12R1.125 CC(C)OCc1ncccc1O 34a_100000212225_200020655725 [0,0,0,0,0,2|1,0,0]=3 9123 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000184730_100000210206 [0,0,0,0,0,2|1,0,0]=3 9124 B12R1.125 CC(C)SCc1ccccc1Br 62a_100000210206_100000184730 [0,0,0,0,0,2|1,0,0]=3 9125 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000187162_100000210206 [0,0,0,0,0,2|1,0,0]=3 9126 B12R1.125 CC(C)SCc1ccccc1Cl 62a_100000210206_100000187162 [0,0,0,0,0,2|1,0,0]=3 9127 B12R1.125 CC(C)SCc1ccccc1F 62a_100000210206_100000211605 [0,0,0,0,0,2|1,0,0]=3 9128 B12R1.125 CC(C)SCc1ccccc1F 62a_100000211605_100000210206 [0,0,0,0,0,2|1,0,0]=3 9129 B12R1.125 CC(C)SCc1ccccc1I 62a_100000210206_100011216222 [0,0,0,0,0,2|1,0,0]=3 9130 B12R1.125 CC(C)SCc1ccccc1I 62a_100011216222_100000210206 [0,0,0,0,0,2|1,0,0]=3 9131 B12R1.125 CC(C)SCc1ccccc1O 271570a_203496583355_200000173093 [0,0,0,0,0,2|0,0,0]=2 9132 B12R1.125 CC(C)SCc1cccnc1Br 62a_100000210206_100010140945 [0,0,0,0,0,2|2,0,0]=4 9133 B12R1.125 CC(C)SCc1cccnc1Br 62a_100010140945_100000210206 [0,0,0,0,0,2|2,0,0]=4 9134 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000045678_100000210206 [0,0,0,0,0,2|2,0,0]=4 9135 B12R1.125 CC(C)SCc1cccnc1Cl 62a_100000210206_100000045678 [0,0,0,0,0,2|2,0,0]=4 9136 B12R1.125 CC(C)SCc1cccnc1F 62a_100000099810_100000210206 [0,0,0,0,0,2|2,0,0]=4 9137 B12R1.125 CC(C)SCc1cccnc1F 62a_100000210206_100000099810 [0,0,0,0,0,2|2,0,0]=4 9138 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000210206_100000763264 [0,0,0,0,0,2|2,0,0]=4 9139 B12R1.125 CC(C)SCc1ccncc1Cl 62a_100000763264_100000210206 [0,0,0,0,0,2|2,0,0]=4 9140 B12R1.125 CC(C)SCc1ncccc1Br 62a_100000210206_100025702911 [0,0,0,0,0,2|2,0,0]=4 9141 B12R1.125 CC(C)SCc1ncccc1Br 62a_100025702911_100000210206 [0,0,0,0,0,2|2,0,0]=4 9142 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000099807_100000210206 [0,0,0,0,0,2|2,0,0]=4 9143 B12R1.125 CC(C)SCc1ncccc1Cl 62a_100000210206_100000099807 [0,0,0,0,0,2|2,0,0]=4 9144 B12R1.125 CC(C)SCc1ncccc1F 62a_100000104219_100000210206 [0,0,0,0,0,2|2,0,0]=4 9145 B12R1.125 CC(C)SCc1ncccc1F 62a_100000210206_100000104219 [0,0,0,0,0,2|2,0,0]=4 9146 B12R1.125 CC(C)SCc1ncccc1O 62a_100000210206_200020655725 [0,0,0,0,0,2|1,0,0]=3 9147 B12R1.125 CC(C)SCc1ncccc1O 62a_200020655725_100000210206 [0,0,0,0,0,2|1,0,0]=3 9148 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,0,0,0,0,2|2,0,0]=4 9149 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,0,0,0,0,2|2,0,0]=4 9150 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,0,0,0,0,2|2,0,0]=4 9151 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,0,0,0,0,2|2,0,0]=4 9152 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,0,0,0,0,2|1,0,0]=3 9153 B12R1.125 CC(O)C=Cc1ccncc1O 271570a_200011019289_100009817591 [0,0,0,0,0,2|2,0,0]=4 9154 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [0,0,0,0,0,2|2,0,0]=4 9155 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,0,0,0,0,2|2,0,0]=4 9156 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,0,0,0,0,2|2,0,0]=4 9157 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,0,0,0,0,2|2,0,0]=4 9158 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,0,0,0,0,2|2,0,0]=4 9159 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,0,0,0,0,2|1,0,0]=3 9160 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,0,0,0,0,2|2,0,0]=4 9161 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,0,0,0,0,2|2,0,0]=4 9162 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,0,0,0,0,2|2,0,0]=4 9163 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,0,0,0,0,2|2,0,0]=4 9164 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,0,0,0,0,2|2,0,0]=4 9165 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,0,0,0,0,2|2,0,0]=4 9166 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,0,0,0,0,2|2,0,0]=4 9167 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,0,0,0,0,2|2,0,0]=4 9168 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,0,0,0,0,2|2,0,0]=4 9169 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,0,0,0,0,2|2,0,0]=4 9170 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,0,0,0,0,2|2,0,0]=4 9171 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,0,0,0,0,2|2,0,0]=4 9172 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,0,0,0,0,2|2,0,0]=4 9173 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,0,0,0,0,2|2,0,0]=4 9174 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,0,0,0,0,2|2,0,0]=4 9175 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,0,0,0,0,2|2,0,0]=4 9176 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,0,0,0,0,2|2,0,0]=4 9177 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,0,0,0,0,2|2,0,0]=4 9178 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,0,0,0,0,2|1,0,0]=3 9179 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,0,0,0,0,2|1,0,0]=3 9180 B12R1.125 CC(O)CSc1cccnc1O 62a_100000760158_100011218427 [0,0,0,0,0,2|2,0,0]=4 9181 B12R1.125 CC(O)CSc1cccnc1O 62a_100011218427_100000760158 [0,0,0,0,0,2|2,0,0]=4 9182 B12R1.125 CC(O)CSc1ccncc1O 62a_100009817591_100011218427 [0,0,0,0,0,2|2,0,0]=4 9183 B12R1.125 CC(O)CSc1ccncc1O 62a_100011218427_100009817591 [0,0,0,0,0,2|2,0,0]=4 9184 B12R1.125 CC(O)CSc1ncccc1O 62a_100000034122_100011218427 [0,0,0,0,0,2|2,0,0]=4 9185 B12R1.125 CC(O)CSc1ncccc1O 62a_100011218427_100000034122 [0,0,0,0,0,2|2,0,0]=4 9186 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,0,0,0,0,2|2,0,0]=4 9187 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,0,0,0,0,2|2,0,0]=4 9188 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,0,0,0,0,2|2,0,0]=4 9189 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,0,0,0,0,2|2,0,0]=4 9190 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,0,0,0,0,2|2,0,0]=4 9191 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,0,0,0,0,2|2,0,0]=4 9192 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,0,0,0,0,2|2,0,0]=4 9193 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,0,0,0,0,2|2,0,0]=4 9194 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,0,0,0,0,2|2,0,0]=4 9195 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,0,0,0,0,2|2,0,0]=4 9196 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,0,0,0,0,2|1,0,0]=3 9197 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,0,0,0,0,2|2,0,0]=4 9198 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,0,0,0,0,2|2,0,0]=4 9199 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,0,0,0,0,2|2,0,0]=4 9200 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,0,0,0,0,2|2,0,0]=4 9201 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,0,0,0,0,2|2,0,0]=4 9202 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,0,0,0,0,2|2,0,0]=4 9203 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,0,0,0,0,2|2,0,0]=4 9204 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,0,0,0,0,2|1,0,0]=3 9205 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,0,0,0,0,2|2,0,0]=4 9206 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,0,0,0,0,2|2,0,0]=4 9207 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,0,0,0,0,2|2,0,0]=4 9208 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,0,0,0,0,2|2,0,0]=4 9209 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,0,0,0,0,2|2,0,0]=4 9210 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,0,0,0,0,2|2,0,0]=4 9211 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,0,0,0,0,2|2,0,0]=4 9212 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,0,0,0,0,2|2,0,0]=4 9213 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,0,0,0,0,2|2,0,0]=4 9214 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,0,0,0,0,2|2,0,0]=4 9215 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,0,0,0,0,2|2,0,0]=4 9216 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,0,0,0,0,2|2,0,0]=4 9217 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,0,0,0,0,2|2,0,0]=4 9218 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,0,0,0,0,2|2,0,0]=4 9219 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,0,0,0,0,2|2,0,0]=4 9220 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,0,0,0,0,2|2,0,0]=4 9221 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,0,0,0,0,2|2,0,0]=4 9222 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,0,0,0,0,2|2,0,0]=4 9223 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,0,0,0,0,2|1,0,0]=3 9224 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,0,0,0,0,2|1,0,0]=3 9225 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100000760158_100009817552 [0,0,0,0,0,2|2,0,0]=4 9226 B12R1.125 C[C@@H](O)CSc1cccnc1O 62a_100009817552_100000760158 [0,0,0,0,0,2|2,0,0]=4 9227 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817552_100009817591 [0,0,0,0,0,2|2,0,0]=4 9228 B12R1.125 C[C@@H](O)CSc1ccncc1O 62a_100009817591_100009817552 [0,0,0,0,0,2|2,0,0]=4 9229 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100000034122_100009817552 [0,0,0,0,0,2|2,0,0]=4 9230 B12R1.125 C[C@@H](O)CSc1ncccc1O 62a_100009817552_100000034122 [0,0,0,0,0,2|2,0,0]=4 9231 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,0,0,0,0,2|1,0,0]=3 9232 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,0,0,0,0,2|2,0,0]=4 9233 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,0,0,0,0,2|2,0,0]=4 9234 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,0,0,0,0,2|2,0,0]=4 9235 B12R1.125 Cc1ccccc1CNC(C)C 207a_100138425928_100000211143 [0,0,0,0,0,2|1,0,0]=3 9236 B12R1.125 Cc1ccccc1CNC(C)C 2230a_100138425928_100000211839 [0,0,0,0,0,2|1,0,0]=3 9237 B12R1.125 Cc1ccccc1CNC(C)C 34a_100000174972_100000210206 [0,0,0,0,0,2|1,0,0]=3 9238 B12R1.125 Cc1ccccc1CNC(C)C 34a_100138425928_100000211839 [0,0,0,0,0,2|1,0,0]=3 9239 B12R1.125 Cc1ccccc1COC(C)C 34a_100000212225_100000211839 [0,0,0,0,0,2|1,0,0]=3 9240 B12R1.125 Cc1ccccc1COC(C)C 34a_100000698903_100000210206 [0,0,0,0,0,2|1,0,0]=3 9241 B12R1.125 Cc1ccccc1COC(C)C 7a_100000698903_100000210206 [0,0,0,0,0,2|1,0,0]=3 9242 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000210206_100000211839 [0,0,0,0,0,2|1,0,0]=3 9243 B12R1.125 Cc1ccccc1CSC(C)C 62a_100000211839_100000210206 [0,0,0,0,0,2|1,0,0]=3 9244 B12R1.125 Cc1ccccc1NCC(C)C 34a_100015192222_100000210624 [0,0,0,0,0,2|1,0,0]=3 9245 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,0,0,0,0,2|2,0,0]=4 9246 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,0,0,0,0,2|2,0,0]=4 9247 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,0,0,0,0,2|1,0,0]=3 9248 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,0,0,0,0,2|1,0,0]=3 9249 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,0,0,0,0,2|2,0,0]=4 9250 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,0,0,0,0,2|2,0,0]=4 9251 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,0,0,0,0,2|2,0,0]=4 9252 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,0,0,0,0,2|2,0,0]=4 9253 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210624_100000210755 [0,0,0,0,0,2|1,0,0]=3 9254 B12R1.125 Cc1ccccc1SCC(C)C 62a_100000210755_100000210760 [0,0,0,0,0,2|1,0,0]=3 9255 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,0,0,0,0,2|2,0,0]=4 9256 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,0,0,0,0,2|2,0,0]=4 9257 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,0,0,0,0,2|2,0,0]=4 9258 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,0,0,0,0,2|2,0,0]=4 9259 B12R1.125 Cc1cccnc1C=CC(C)C 271570a_100016257149_100000751373 [0,0,0,0,0,2|2,0,0]=4 9260 B12R1.125 Cc1cccnc1CNC(C)C 207a_100138425928_100000698913 [0,0,0,0,0,2|2,0,0]=4 9261 B12R1.125 Cc1cccnc1CNC(C)C 2230a_100138425928_100000696600 [0,0,0,0,0,2|2,0,0]=4 9262 B12R1.125 Cc1cccnc1CNC(C)C 34a_100011223789_100000210206 [0,0,0,0,0,2|2,0,0]=4 9263 B12R1.125 Cc1cccnc1CNC(C)C 34a_100138425928_100000696600 [0,0,0,0,0,2|2,0,0]=4 9264 B12R1.125 Cc1cccnc1COC(C)C 34a_100000212225_100000696600 [0,0,0,0,0,2|2,0,0]=4 9265 B12R1.125 Cc1cccnc1COC(C)C 34a_100000698912_100000210206 [0,0,0,0,0,2|2,0,0]=4 9266 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000210206_100000696600 [0,0,0,0,0,2|2,0,0]=4 9267 B12R1.125 Cc1cccnc1CSC(C)C 62a_100000696600_100000210206 [0,0,0,0,0,2|2,0,0]=4 9268 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000210624_100000751373 [0,0,0,0,0,2|2,0,0]=4 9269 B12R1.125 Cc1cccnc1SCC(C)C 62a_100000751373_100000210760 [0,0,0,0,0,2|2,0,0]=4 9270 B12R1.125 Cc1ccncc1C=CC(C)C 271570a_100016257149_100000761580 [0,0,0,0,0,2|2,0,0]=4 9271 B12R1.125 Cc1ccncc1CNC(C)C 207a_100138425928_100000685662 [0,0,0,0,0,2|2,0,0]=4 9272 B12R1.125 Cc1ccncc1CNC(C)C 2230a_100138425928_100000690890 [0,0,0,0,0,2|2,0,0]=4 9273 B12R1.125 Cc1ccncc1CNC(C)C 34a_100138425928_100000690890 [0,0,0,0,0,2|2,0,0]=4 9274 B12R1.125 Cc1ccncc1COC(C)C 34a_100000212225_100000690890 [0,0,0,0,0,2|2,0,0]=4 9275 B12R1.125 Cc1ccncc1COC(C)C 34a_100011996381_100000210206 [0,0,0,0,0,2|2,0,0]=4 9276 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000210206_100000690890 [0,0,0,0,0,2|2,0,0]=4 9277 B12R1.125 Cc1ccncc1CSC(C)C 62a_100000690890_100000210206 [0,0,0,0,0,2|2,0,0]=4 9278 B12R1.125 Cc1ccncc1OCC(C)C 34a_100011997053_100000210624 [0,0,0,0,0,2|2,0,0]=4 9279 B12R1.125 Cc1ccncc1OCC(C)C 7a_100011997053_100000210760 [0,0,0,0,0,2|2,0,0]=4 9280 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000210624_100000761580 [0,0,0,0,0,2|2,0,0]=4 9281 B12R1.125 Cc1ccncc1SCC(C)C 62a_100000761580_100000210760 [0,0,0,0,0,2|2,0,0]=4 9282 B12R1.125 Cc1cnccc1C=CC(C)C 271570a_100016257149_100015191297 [0,0,0,0,0,2|2,0,0]=4 9283 B12R1.125 Cc1cnccc1CNC(C)C 2230a_100138425928_100020672808 [0,0,0,0,0,2|2,0,0]=4 9284 B12R1.125 Cc1cnccc1CNC(C)C 34a_100138425928_100020672809 [0,0,0,0,0,2|2,0,0]=4 9285 B12R1.125 Cc1cnccc1COC(C)C 34a_100000212225_100020672809 [0,0,0,0,0,2|2,0,0]=4 9286 B12R1.125 Cc1cnccc1COC(C)C 34a_100011997032_100000210206 [0,0,0,0,0,2|2,0,0]=4 9287 B12R1.125 Cc1cnccc1CSC(C)C 62a_100000210206_100020672808 [0,0,0,0,0,2|2,0,0]=4 9288 B12R1.125 Cc1cnccc1CSC(C)C 62a_100020672808_100000210206 [0,0,0,0,0,2|2,0,0]=4 9289 B12R1.125 Cc1cnccc1NCC(C)C 27a_100000210953_100000765111 [0,0,0,0,0,2|2,0,0]=4 9290 B12R1.125 Cc1cnccc1OCC(C)C 34a_100000694293_100000210624 [0,0,0,0,0,2|2,0,0]=4 9291 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000210624_100000765111 [0,0,0,0,0,2|2,0,0]=4 9292 B12R1.125 Cc1cnccc1SCC(C)C 62a_100000765111_100000210760 [0,0,0,0,0,2|2,0,0]=4 9293 B12R1.125 Cc1ncccc1C=CC(C)C 271570a_100016257149_100000751574 [0,0,0,0,0,2|2,0,0]=4 9294 B12R1.125 Cc1ncccc1CNC(C)C 207a_100138425928_100000751968 [0,0,0,0,0,2|2,0,0]=4 9295 B12R1.125 Cc1ncccc1CNC(C)C 2230a_100138425928_100000732876 [0,0,0,0,0,2|2,0,0]=4 9296 B12R1.125 Cc1ncccc1CNC(C)C 34a_100138425928_100000732876 [0,0,0,0,0,2|2,0,0]=4 9297 B12R1.125 Cc1ncccc1COC(C)C 34a_100000212225_100000732876 [0,0,0,0,0,2|2,0,0]=4 9298 B12R1.125 Cc1ncccc1COC(C)C 34a_100000729262_100000210206 [0,0,0,0,0,2|2,0,0]=4 9299 B12R1.125 Cc1ncccc1COC(C)C 7a_100000729262_100000210206 [0,0,0,0,0,2|2,0,0]=4 9300 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000210206_100000732876 [0,0,0,0,0,2|2,0,0]=4 9301 B12R1.125 Cc1ncccc1CSC(C)C 62a_100000732876_100000210206 [0,0,0,0,0,2|2,0,0]=4 9302 B12R1.125 Cc1ncccc1OCC(C)C 34a_100000745507_100000210624 [0,0,0,0,0,2|2,0,0]=4 9303 B12R1.125 Cc1ncccc1OCC(C)C 7a_100000745507_100000210760 [0,0,0,0,0,2|2,0,0]=4 9304 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000210624_100000751574 [0,0,0,0,0,2|2,0,0]=4 9305 B12R1.125 Cc1ncccc1SCC(C)C 62a_100000751574_100000210760 [0,0,0,0,0,2|2,0,0]=4 9306 B12R1.125 Oc1ccccc1NCC(F)F 34a_100000185747_100011934356 [0,0,0,0,0,2|2,0,0]=4 9307 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,0,0,0,0,2|2,0,0]=4 9308 B12R1.125 Oc1ccccc1SCC(F)F 62a_100000739446_100011934356 [0,0,0,0,0,2|2,0,0]=4 9309 B12R1.125 Oc1ccccc1SCC(F)F 62a_100011934356_100000739446 [0,0,0,0,0,2|2,0,0]=4 9310 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,0,0,0,2|1,0,1]=4 9311 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,0,0,0,0,2|1,0,1]=4 9312 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,0,0,0,0,2|1,0,1]=4 9313 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,0,0,0,0,2|1,0,1]=4 9314 B12R1.210 CC(C)Oc1cccccc1=O 34a_100000036025_100000210206 [0,0,0,0,0,2|0,0,1]=3 9315 B12R1.210 CC(C)Oc1cccccc1=O 7a_100000036025_100000210206 [0,0,0,0,0,2|0,0,1]=3