0 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,0,0|1,0,2]=4 6 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210623 [0,1,0,0,0,0|1,0,2]=4 7 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100015514636 [0,1,0,0,0,0|1,0,2]=4 8 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [0,1,0,0,0,0|0,0,2]=3 9 B10R0.88 C=CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210623 [0,1,0,0,0,0|1,0,2]=4 10 B10R0.88 C=CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210623 [0,1,0,0,0,0|1,0,2]=4 11 B10R0.88 C=CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210623 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.88 C=CCOC(CCC)C(=O)N 34a_100011626294_100015514636 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.88 C=CCOC(CCC)C(=O)N 7a_100011626294_100015514636 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [0,0,0,1,0,0|1,0,2]=4 16 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [0,0,0,1,0,0|1,0,2]=4 17 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [0,0,0,1,0,0|1,0,2]=4 18 B10R1.4 CCCc1ncncc1O 271570a_203496583355_100009816987 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.4 CCNc1ccn[nH]c1=O 27a_100015525214_100000087129 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,0,0,1,0,0|1,0,0]=2 54 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,0,0,1,0,0|1,0,0]=2 55 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.4 CCSc1c[nH]ccc1=O 62a_100000210202_100009998708 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.4 CCSc1c[nH]ccc1=O 62a_100009998708_100000210202 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [0,0,0,1,0,0|3,0,0]=4 61 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [0,0,0,1,0,0|3,0,0]=4 70 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [0,0,0,1,0,0|2,0,0]=3 72 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [0,0,0,1,0,0|3,0,0]=4 74 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [0,0,0,1,0,0|3,0,0]=4 76 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [0,0,0,1,0,0|3,0,0]=4 77 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [0,0,0,1,0,0|3,0,0]=4 81 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [0,0,0,1,0,0|3,0,0]=4 82 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [0,0,0,1,0,0|2,0,0]=3 84 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.4 CCSc1ccn[nH]c1=O 62a_100000210202_100000087129 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [0,0,0,1,0,0|3,0,0]=4 88 B10R1.4 CCSc1cncnc1O 62a_100000210202_100000751107 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.4 CCSc1cncnc1O 62a_100000751107_100000210202 [0,0,0,1,0,0|3,0,0]=4 90 B10R1.4 CCSc1ncc[nH]c1=O 62a_100000210202_100000763361 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [0,0,0,1,0,0|3,0,0]=4 92 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [0,0,0,1,0,0|3,0,0]=4 93 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [0,0,0,1,0,0|3,0,0]=4 95 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [0,0,0,1,0,0|3,0,0]=4 96 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [0,0,0,1,0,0|3,0,0]=4 97 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [0,0,0,1,0,0|3,0,0]=4 98 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [0,0,0,1,0,0|3,0,0]=4 109 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [0,0,0,1,0,0|3,0,0]=4 110 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [0,0,0,1,0,0|3,0,0]=4 111 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [0,0,0,1,0,0|3,0,0]=4 112 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [0,0,0,1,0,0|3,0,0]=4 113 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [0,0,0,1,0,0|3,0,0]=4 114 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [0,0,0,1,0,0|3,0,0]=4 115 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [0,0,0,1,0,0|3,0,0]=4 119 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [0,0,0,1,0,0|3,0,0]=4 120 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [0,0,0,1,0,0|3,0,0]=4 122 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [0,0,0,1,0,0|3,0,0]=4 123 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [0,0,0,1,0,0|3,0,0]=4 124 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [0,0,0,1,0,0|3,0,0]=4 125 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [0,0,0,1,0,0|3,0,0]=4 126 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [0,0,0,1,0,0|2,0,0]=3 127 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [0,0,0,1,0,0|2,0,0]=3 128 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [0,0,0,1,0,0|3,0,0]=4 129 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [0,0,0,1,0,0|3,0,0]=4 130 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [0,0,0,1,0,0|3,0,0]=4 131 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [0,0,0,1,0,0|3,0,0]=4 132 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [0,0,0,1,0,0|3,0,0]=4 133 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [0,0,0,1,0,0|3,0,0]=4 134 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [0,0,0,1,0,0|3,0,0]=4 135 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [0,0,0,1,0,0|3,0,0]=4 136 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [0,0,0,1,0,0|3,0,0]=4 137 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [0,0,0,1,0,0|3,0,0]=4 138 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [0,0,0,1,0,0|3,0,0]=4 139 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [0,0,0,1,0,0|3,0,0]=4 140 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [0,0,0,1,0,0|3,0,0]=4 141 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [0,0,0,1,0,0|3,0,0]=4 142 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [0,0,0,1,0,0|3,0,0]=4 143 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [0,0,0,1,0,0|3,0,0]=4 144 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [0,0,0,1,0,0|3,0,0]=4 145 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [0,0,0,1,0,0|3,0,0]=4 146 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [0,0,0,1,0,0|3,0,0]=4 147 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [0,0,0,1,0,0|2,0,0]=3 148 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [0,0,0,1,0,0|2,0,0]=3 149 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [0,0,0,1,0,0|2,0,0]=3 150 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [0,0,0,1,0,0|3,0,0]=4 154 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [0,0,0,1,0,0|3,0,0]=4 156 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [0,0,0,1,0,0|3,0,0]=4 158 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [0,0,0,1,0,0|3,0,0]=4 159 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [0,0,0,1,0,0|3,0,0]=4 160 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [0,0,0,1,0,0|3,0,0]=4 161 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [0,0,0,1,0,0|3,0,0]=4 162 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [0,0,0,1,0,0|3,0,0]=4 163 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [0,0,0,1,0,0|3,0,0]=4 166 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [0,0,0,1,0,0|3,0,0]=4 167 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [0,0,0,1,0,0|3,0,0]=4 168 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [0,0,0,1,0,0|2,0,0]=3 169 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [0,0,0,1,0,0|3,0,0]=4 171 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [0,0,0,1,0,0|3,0,0]=4 172 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [0,0,0,1,0,0|3,0,0]=4 173 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [0,0,0,1,0,0|3,0,0]=4 176 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [0,0,0,1,0,0|3,0,0]=4 177 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [0,0,0,1,0,0|3,0,0]=4 179 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [0,0,0,1,0,0|3,0,0]=4 180 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [0,0,0,1,0,0|3,0,0]=4 181 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [0,0,0,1,0,0|3,0,0]=4 183 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [0,0,0,1,0,0|3,0,0]=4 184 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [0,0,0,1,0,0|3,0,0]=4 185 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [0,0,0,1,0,0|3,0,0]=4 187 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [0,0,0,1,0,0|3,0,0]=4 190 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [0,0,0,1,0,0|2,0,0]=3 193 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [0,0,0,1,0,0|3,0,0]=4 196 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [0,0,0,1,0,0|3,0,0]=4 197 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [0,0,0,1,0,0|3,0,0]=4 198 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [0,0,0,1,0,0|3,0,0]=4 199 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [0,0,0,1,0,0|3,0,0]=4 202 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [0,0,0,1,0,0|3,0,0]=4 203 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [0,0,0,1,0,0|3,0,0]=4 204 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [0,0,0,1,0,0|3,0,0]=4 205 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [0,0,0,1,0,0|3,0,0]=4 206 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [0,0,0,1,0,0|3,0,0]=4 207 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [0,0,0,1,0,0|3,0,0]=4 208 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [0,0,0,1,0,0|3,0,0]=4 209 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [0,0,0,1,0,0|3,0,0]=4 210 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [0,0,0,1,0,0|2,0,1]=4 213 B10R1.4 N#CCc1cccnc1O 271570a_203496583355_100000096391 [0,0,0,1,0,0|2,0,1]=4 214 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [0,0,0,1,0,0|2,0,0]=3 215 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [0,0,0,1,0,0|3,0,0]=4 216 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [0,0,0,1,0,0|2,0,0]=3 217 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [0,0,0,1,0,0|2,0,0]=3 218 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [0,0,0,1,0,0|2,0,0]=3 219 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [0,0,0,1,0,0|3,0,0]=4 221 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [0,0,0,1,0,0|3,0,0]=4 222 B10R1.4 Oc1ncccc1SCF 62a_100000760158_100015361967 [0,0,0,1,0,0|3,0,0]=4 223 B10R1.4 Oc1ncccc1SCF 62a_100015361967_100000760158 [0,0,0,1,0,0|3,0,0]=4 224 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [0,0,0,1,0,0|3,0,0]=4 225 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [0,0,0,1,0,0|3,0,0]=4 226 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [0,0,0,1,0,0|3,0,0]=4 227 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [0,0,0,1,0,0|3,0,0]=4 228 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [0,0,0,1,0,0|3,0,0]=4 229 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [0,0,0,1,0,0|2,0,0]=3 230 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [0,0,0,1,0,0|3,0,0]=4 231 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [0,0,0,1,0,0|3,0,0]=4 232 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [0,0,0,1,0,0|3,0,0]=4 233 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [0,0,0,1,0,0|3,0,0]=4 234 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [0,0,0,1,0,0|3,0,0]=4 235 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [0,0,0,1,0,0|3,0,0]=4 236 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [0,0,0,1,0,0|3,0,0]=4 237 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [0,0,0,1,0,0|3,0,0]=4 238 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [0,0,0,1,0,0|3,0,0]=4 239 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [0,0,0,1,0,0|3,0,0]=4 240 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [0,0,0,1,0,0|3,0,0]=4 241 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [0,0,0,1,0,0|3,0,0]=4 242 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [0,0,0,1,0,0|3,0,0]=4 243 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [0,0,0,1,0,0|3,0,0]=4 246 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [0,0,0,1,0,0|3,0,0]=4 247 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [0,0,0,1,0,0|3,0,0]=4 248 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [0,0,0,1,0,0|3,0,0]=4 249 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [0,0,0,1,0,0|3,0,0]=4 250 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [0,0,0,1,0,0|3,0,0]=4 251 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [0,0,0,1,0,0|3,0,0]=4 252 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [0,0,0,1,0,0|3,0,0]=4 253 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [0,0,0,1,0,0|3,0,0]=4 254 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [0,0,0,1,0,0|3,0,0]=4 255 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [0,0,0,1,0,0|3,0,0]=4 256 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [0,0,0,1,0,0|3,0,0]=4 257 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [0,0,0,1,0,0|3,0,0]=4 258 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [0,0,0,1,0,0|3,0,0]=4 259 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [0,0,0,1,0,0|3,0,0]=4 262 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [0,0,0,1,0,0|3,0,0]=4 264 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [0,0,0,1,0,0|3,0,0]=4 265 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [0,0,0,1,0,0|3,0,0]=4 266 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,1,0,0|2,0,1]=4 267 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,1,0,0|2,0,1]=4 268 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,1,0,0|2,0,1]=4 269 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,1,0,0|2,0,1]=4 270 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,1,0,0|1,0,2]=4 271 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,1,0,0|1,0,2]=4 272 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,1,0,0|1,0,2]=4 273 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [0,0,0,1,0,0|2,0,1]=4 274 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [0,0,0,1,0,0|2,0,1]=4 275 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [0,0,0,1,0,0|2,0,1]=4 276 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [0,0,0,1,0,0|2,0,1]=4 277 B10R0.79 C=CCN(CCC)CC(=O)O 269956a_100000744315_100000210207 [0,0,0,0,0,1|1,0,1]=3 278 B10R0.79 C=CCN(CCF)CC(=O)O 269956a_100000744315_100011217306 [0,0,0,0,0,1|2,0,1]=4 279 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000744315_100000211926 [0,0,0,0,0,1|2,0,1]=4 280 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000747938_100000210623 [0,0,0,0,0,1|2,0,1]=4 281 B10R0.79 C=CCN(COC)CC(=O)O 269956a_100000744315_100000766300 [0,0,0,0,0,1|2,0,1]=4 282 B10R0.79 C=CCN(CSC)CC(=O)O 269956a_100000744315_100011218213 [0,0,0,0,0,1|2,0,1]=4 283 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [2,0,0,0,0,0|1,0,1]=4 285 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|0,0,1]=3 286 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|0,0,1]=3 287 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [2,0,0,0,0,0|1,0,1]=4 288 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [2,0,0,0,0,0|1,0,1]=4 290 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [2,0,0,0,0,0|1,0,1]=4 291 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [2,0,0,0,0,0|1,0,1]=4 292 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 293 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 294 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 295 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [2,0,0,0,0,0|2,0,0]=4 297 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [2,0,0,0,0,0|2,0,0]=4 298 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|0,0,1]=3 303 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [2,0,0,0,0,0|1,0,1]=4 304 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [2,0,0,0,0,0|1,0,1]=4 305 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 306 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 307 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [2,0,0,0,0,0|1,0,0]=3 308 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [2,0,0,0,0,0|1,0,0]=3 309 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [2,0,0,0,0,0|1,0,0]=3 310 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [2,0,0,0,0,0|2,0,0]=4 319 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,1,0,0,0,0|0,0,2]=4 320 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|0,0,1]=3 321 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [1,1,0,0,0,0|1,0,1]=4 324 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.35 C=CCN(CC(=O)O)CC(C)C 269956a_100000744315_100000210760 [0,1,0,0,0,1|1,0,1]=4 328 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [0,1,0,0,0,1|1,0,1]=4 329 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [0,1,0,0,0,1|1,0,1]=4 330 B11R0.39 C=CCN(CC(=O)O)C(C)CC 269956a_100000744315_100000758301 [0,1,0,0,0,1|1,0,1]=4 331 B11R0.47 C=CCN(CCCC)CC(=O)O 269956a_100000744315_100000210211 [0,1,0,0,0,1|1,0,1]=4 332 B11R0.47 C=CCN(CCCF)CC(=O)O 269956a_100000744315_100011934791 [0,1,0,0,0,1|1,0,1]=4 333 B11R0.47 C=CCN(CCCO)CC(=O)O 269956a_100000744315_100011215043 [0,1,0,0,0,1|1,0,1]=4 334 B11R0.47 C=CCN(CCOC)CC(=O)O 269956a_100000744315_100000233755 [0,1,0,0,0,1|1,0,1]=4 335 B11R0.47 C=CCN(CCSC)CC(=O)O 269956a_100000744315_100000212216 [0,1,0,0,0,1|1,0,1]=4 336 B11R0.47 C=CCN(COCC)CC(=O)O 269956a_100000744315_100000739092 [0,1,0,0,0,1|1,0,1]=4 337 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185746 [0,2,0,0,0,0|1,0,1]=4 338 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_200121576911 [0,2,0,0,0,0|1,0,1]=4 339 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,2,0,0,0,0|0,0,2]=4 340 B11R0.41 C=CC(=O)C(CCC)C(=O)OC 1458a_100000185746_200009843822 [0,2,0,0,0,0|0,0,1]=3 341 B11R0.41 C=CC(=O)C(COC)C(=O)OC 1458a_100000185746_100000717350 [0,2,0,0,0,0|1,0,1]=4 342 B11R0.167 C=CC(=O)C(CCCC)C(=O)N 1458a_100000185746_100000748834 [0,2,0,0,0,0|1,0,1]=4 343 B11R0.167 C=CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210623 [0,2,0,0,0,0|0,0,2]=4 344 B11R0.38 C=CCNC(CCC)C(=O)OC 2230a_100020586998_200009843822 [0,2,0,0,0,0|0,0,2]=4 345 B11R0.38 C=CCOC(CCC)C(=O)OC 34a_200000210373_200009843822 [0,2,0,0,0,0|0,0,2]=4 346 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_100000210623_200009843822 [0,2,0,0,0,0|0,0,2]=4 347 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_200009843822_100000210623 [0,2,0,0,0,0|0,0,2]=4 348 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [0,2,0,0,0,0|0,0,2]=4 349 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [0,2,0,0,0,0|0,0,2]=4 350 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,2,0,0,0,0|0,0,2]=4 351 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [0,2,0,0,0,0|0,0,2]=4 352 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,2,0,0,0,0|0,0,2]=4 353 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [0,2,0,0,0,0|0,0,2]=4 354 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|1,0,1]=4 355 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,1,0,0|2,0,0]=4 356 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|1,0,1]=4 357 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|1,0,1]=4 358 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,1,0,0|2,0,0]=4 359 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,0,0,1,0,0|1,0,0]=3 360 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [1,0,0,1,0,0|2,0,0]=4 361 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,0,0,1,0,0|2,0,0]=4 362 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [1,0,0,1,0,0|2,0,0]=4 363 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,1,0,0|2,0,0]=4 364 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,0,0,1,0,0|2,0,0]=4 365 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,0,0,1,0,0|2,0,0]=4 366 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,0,0,1,0,0|2,0,0]=4 367 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,1,0,0|2,0,0]=4 368 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,0,0,1,0,0|2,0,0]=4 369 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,1,0,0|2,0,0]=4 370 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,0,0,1,0,0|1,0,0]=3 371 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,0,0,1,0,0|1,0,0]=3 372 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,0,0,1,0,0|2,0,0]=4 373 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,0,0,1,0,0|2,0,0]=4 374 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,0,0,1,0,0|2,0,0]=4 375 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,1,0,0|2,0,0]=4 376 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,1,0,0|2,0,0]=4 377 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,0,0,1,0,0|2,0,0]=4 378 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,0,1,0,0|2,0,0]=4 379 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,0,0,1,0,0|2,0,0]=4 380 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,0,0,1,0,0|2,0,0]=4 381 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,0,0,1,0,0|2,0,0]=4 382 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,0,0,1,0,0|1,0,0]=3 383 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,0,0,1,0,0|1,0,0]=3 384 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,0,0,1,0,0|2,0,0]=4 385 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,0,0,1,0,0|2,0,0]=4 386 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,1,0,0|2,0,0]=4 387 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,1,0,0|2,0,0]=4 388 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [1,0,0,1,0,0|1,1,0]=4 389 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [1,0,0,1,0,0|2,0,0]=4 390 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [1,0,0,1,0,0|2,0,0]=4 391 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [1,0,0,1,0,0|2,0,0]=4 392 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [1,0,0,1,0,0|2,0,0]=4 393 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,1,0,0|2,0,0]=4 394 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,1,0,0|2,0,0]=4 395 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,1,0,0|2,0,0]=4 396 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,1,0,0|2,0,0]=4 397 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,1,0,0|2,0,0]=4 398 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,1,0,0|2,0,0]=4 399 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,1,0,0|2,0,0]=4 400 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,1,0,0|2,0,0]=4 401 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,1,0,0|2,0,0]=4 402 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,1,0,0|2,0,0]=4 403 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,1,0,0|2,0,0]=4 404 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,1,0,0|2,0,0]=4 405 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,1,0,0|2,0,0]=4 406 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,1,0,0|2,0,0]=4 407 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,1,0,0|2,0,0]=4 408 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,1,0,0|2,0,0]=4 409 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,1,0,0|2,0,0]=4 410 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,1,0,0|2,0,0]=4 411 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,1,0,0|2,0,0]=4 412 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,1,0,0|2,0,0]=4 413 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,1,0,0|2,0,0]=4 414 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,1,0,0|2,0,0]=4 415 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,1,0,0|2,0,0]=4 416 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,1,0,0|2,0,0]=4 417 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,1,0,0|2,0,0]=4 418 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,1,0,0|2,0,0]=4 419 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,1,0,0|2,0,0]=4 420 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,1,0,0|2,0,0]=4 421 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,1,0,0|2,0,0]=4 422 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,1,0,0|2,0,0]=4 423 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,1,0,0|2,0,0]=4 424 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,1,0,0|2,0,0]=4 425 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,1,0,0|2,0,0]=4 426 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,1,0,0|2,0,0]=4 427 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,1,0,0|2,0,0]=4 428 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,1,0,0|2,0,0]=4 429 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,1,0,0|2,0,0]=4 430 B11R1.34 CCOc1cc(oc(=O)c1)C 34a_100000210952_100000210202 [0,0,0,1,0,1|1,0,1]=4 431 B11R1.34 CCOc1cc(oc(=O)c1)C 7a_100000210952_100000210202 [0,0,0,1,0,1|1,0,1]=4 432 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,0,0,1,0,1|1,0,1]=4 433 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,0,0,1,0,1|1,0,1]=4 434 B11R1.804 C=CCN(CC(=O)O)C1CC1 269956a_100000744315_100000211595 [0,0,0,1,0,1|1,0,1]=4 435 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,1,0,0|1,0,1]=4 436 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,1,0,0|1,0,1]=4 437 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,1,0,1,0,0|2,0,0]=4 438 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,1,0,1,0,0|2,0,0]=4 439 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,1,0,1,0,0|2,0,0]=4 440 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [0,1,0,1,0,0|1,0,0]=3 441 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [0,1,0,1,0,0|1,0,0]=3 442 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,1,0,1,0,0|2,0,0]=4 443 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,1,0,1,0,0|2,0,0]=4 444 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [0,1,0,1,0,0|2,0,0]=4 445 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [0,1,0,1,0,0|2,0,0]=4 446 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,1,0,1,0,0|2,0,0]=4 447 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,1,0,1,0,0|2,0,0]=4 448 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [0,1,0,1,0,0|2,0,0]=4 450 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,1,0,1,0,0|2,0,0]=4 451 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,1,0,1,0,0|2,0,0]=4 452 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,1,0,0|1,0,1]=4 453 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [0,1,0,1,0,0|2,0,0]=4 454 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [0,1,0,1,0,0|2,0,0]=4 455 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [0,1,0,1,0,0|2,0,0]=4 456 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [0,1,0,1,0,0|2,0,0]=4 457 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [0,1,0,1,0,0|2,0,0]=4 458 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [0,1,0,1,0,0|2,0,0]=4 459 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [0,1,0,1,0,0|2,0,0]=4 460 B11R1.182 CCSc1cc(c[nH]c1=O)F 62a_100000210202_100009817720 [0,1,0,1,0,0|2,0,0]=4 461 B11R1.182 CCSc1cc(c[nH]c1=O)F 62a_100009817720_100000210202 [0,1,0,1,0,0|2,0,0]=4 462 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [0,1,0,1,0,0|2,0,0]=4 463 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [0,1,0,1,0,0|2,0,0]=4 465 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [0,1,0,1,0,0|2,0,0]=4 466 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [0,1,0,1,0,0|2,0,0]=4 467 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [0,1,0,1,0,0|2,0,0]=4 468 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [0,1,0,1,0,0|2,0,0]=4 469 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [0,1,0,1,0,0|2,0,0]=4 470 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [0,1,0,1,0,0|2,0,0]=4 471 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [0,1,0,1,0,0|2,0,0]=4 472 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [0,1,0,1,0,0|2,0,0]=4 473 B11R1.182 CCSc1cc(cnc1O)Br 62a_100000210202_100010197142 [0,1,0,1,0,0|2,0,0]=4 474 B11R1.182 CCSc1cc(cnc1O)Br 62a_100010197142_100000210202 [0,1,0,1,0,0|2,0,0]=4 475 B11R1.182 CCSc1cc(cnc1O)C 62a_100000210202_100000719714 [0,1,0,1,0,0|2,0,0]=4 476 B11R1.182 CCSc1cc(cnc1O)C 62a_100000719714_100000210202 [0,1,0,1,0,0|2,0,0]=4 477 B11R1.182 CCSc1cc(cnc1O)Cl 62a_100000210202_100010188700 [0,1,0,1,0,0|2,0,0]=4 478 B11R1.182 CCSc1cc(cnc1O)Cl 62a_100010188700_100000210202 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.182 CNCc1cc(c[nH]c1=O)F 207a_100102657272_100000137007 [0,1,0,1,0,0|2,0,0]=4 480 B11R1.182 CNCc1cc(c[nH]c1=O)F 270004a_106832991635_100000137007 [0,1,0,1,0,0|2,0,0]=4 481 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [0,1,0,1,0,0|2,0,0]=4 482 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [0,1,0,1,0,0|2,0,0]=4 483 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [0,1,0,1,0,0|2,0,0]=4 484 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [0,1,0,1,0,0|2,0,0]=4 485 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [0,1,0,1,0,0|2,0,0]=4 486 B11R1.182 CNCc1cc(cnc1O)Br 207a_100102657272_100010064889 [0,1,0,1,0,0|2,0,0]=4 487 B11R1.182 CNCc1cc(cnc1O)Br 270004a_106832991635_100010064889 [0,1,0,1,0,0|2,0,0]=4 488 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [0,1,0,1,0,0|2,0,0]=4 489 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [0,1,0,1,0,0|2,0,0]=4 490 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [0,1,0,1,0,0|2,0,0]=4 491 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [0,1,0,1,0,0|2,0,0]=4 492 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [0,1,0,1,0,0|2,0,0]=4 493 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [0,1,0,1,0,0|2,0,0]=4 494 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [0,1,0,1,0,0|2,0,0]=4 495 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,1,0,0|1,0,1]=4 496 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,1,0,0|1,0,1]=4 497 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,1,0,0|1,0,1]=4 498 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,1,0,0|1,0,1]=4 499 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,1,0,0|1,0,1]=4 500 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,1,0,0|1,0,1]=4 501 B11R1.222 C=CC(=O)C1CCCCC1=O 1458a_100000185746_100000204591 [0,1,0,1,0,0|1,0,1]=4 502 B11R1.222 C=CC(=O)C1CCCNC1=O 1458a_100000185746_100000687798 [0,1,0,1,0,0|1,0,1]=4 503 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,1,0,0|2,0,0]=4 504 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,1,0,1,0,0|1,0,1]=4 505 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,1,0,0|2,0,0]=4 506 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,1,0,0|2,0,0]=4 507 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,1,0,0|2,0,0]=4 508 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,1,0,0|2,0,0]=4 509 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,1,0,0|2,0,0]=4 510 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,1,0,0|2,0,0]=4 511 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,1,0,0|2,0,0]=4 512 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,1,0,1,0,0|2,0,0]=4 513 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,1,0,0|2,0,0]=4 514 B11R1.225 C=CC(=O)C1CC(OC1=O)C 1458a_100000185746_200000216747 [0,1,0,1,0,0|0,0,1]=3 515 B11R1.605 CCNc1c(cccc1Br)O 34a_100011934926_100000210202 [0,1,0,1,0,0|2,0,0]=4 516 B11R1.605 CCNc1c(cccc1Cl)O 34a_100012022510_100000210202 [0,1,0,1,0,0|2,0,0]=4 517 B11R1.605 CCNc1c(cccc1F)O 34a_100020591140_100000210202 [0,1,0,1,0,0|2,0,0]=4 518 B11R1.605 CCNc1c(cccc1O)C 34a_100000743429_100000210202 [0,1,0,1,0,0|2,0,0]=4 519 B11R1.605 CCOc1c(cccc1F)O 271570a_203496583355_100010232518 [0,1,0,1,0,0|2,0,0]=4 520 B11R1.605 CCOc1c(occc1=O)C 34a_100000031901_100000210202 [0,1,0,1,0,0|2,0,0]=4 521 B11R1.605 CCSc1c(cccc1Br)O 62a_100000210202_100010187912 [0,1,0,1,0,0|2,0,0]=4 522 B11R1.605 CCSc1c(cccc1Br)O 62a_100010187912_100000210202 [0,1,0,1,0,0|2,0,0]=4 523 B11R1.605 CCSc1c(cccc1Cl)O 62a_100000210202_100000050174 [0,1,0,1,0,0|2,0,0]=4 524 B11R1.605 CCSc1c(cccc1F)O 62a_100000210202_100009820682 [0,1,0,1,0,0|2,0,0]=4 525 B11R1.605 CCSc1c(cccc1F)O 62a_100009820682_100000210202 [0,1,0,1,0,0|2,0,0]=4 526 B11R1.605 CCSc1c(cccc1O)C 62a_100000210202_100000686692 [0,1,0,1,0,0|2,0,0]=4 527 B11R1.605 CCSc1c(cccc1O)C 62a_100000686692_100000210202 [0,1,0,1,0,0|2,0,0]=4 528 B11R1.605 CCSc1c(cccc1O)N 62a_100000210202_100012183704 [0,1,0,1,0,0|2,0,0]=4 529 B11R1.605 CCSc1c(cccc1O)N 62a_100012183704_100000210202 [0,1,0,1,0,0|2,0,0]=4 530 B11R1.605 CCSc1c(cccc1O)O 62a_100000210202_100010205330 [0,1,0,1,0,0|2,0,0]=4 531 B11R1.605 CCSc1c(ccnc1O)C 62a_100000210202_100012000493 [0,1,0,1,0,0|2,0,0]=4 532 B11R1.605 CCSc1c(ccnc1O)C 62a_100012000493_100000210202 [0,1,0,1,0,0|2,0,0]=4 533 B11R1.605 CCSc1c(ccnc1O)O 62a_100000210202_200009817435 [0,1,0,1,0,0|2,0,0]=4 534 B11R1.605 CNCc1c(cccc1F)O 271570a_203496583355_106744473292 [0,1,0,1,0,0|2,0,0]=4 535 B11R1.5 CCOc1cccccc1=O 34a_100000036025_100000210202 [0,1,0,1,0,0|2,0,0]=4 536 B11R1.5 CCOc1cccccc1=O 7a_100000036025_100000210202 [0,1,0,1,0,0|2,0,0]=4 537 B11R1.13 CCNc1cccc(c1Br)O 34a_100012183704_100000210202 [0,1,0,1,0,0|2,0,0]=4 538 B11R1.13 CCNc1cccc(c1Br)O 7a_100012183704_100000210202 [0,1,0,1,0,0|2,0,0]=4 539 B11R1.13 CCNc1cccc(c1C)O 34a_100011216573_100000210202 [0,1,0,1,0,0|2,0,0]=4 540 B11R1.13 CCNc1cccc(c1C)O 7a_100011216573_100000210202 [0,1,0,1,0,0|2,0,0]=4 541 B11R1.13 CCNc1cccc(c1Cl)O 34a_100012002038_100000210202 [0,1,0,1,0,0|2,0,0]=4 542 B11R1.13 CCNc1cccc(c1Cl)O 7a_100012002038_100000210202 [0,1,0,1,0,0|2,0,0]=4 543 B11R1.13 CCNc1cccc(c1O)Br 34a_100011934915_100000210202 [0,1,0,1,0,0|2,0,0]=4 544 B11R1.13 CCNc1cccc(c1O)C 34a_100000756359_100000210202 [0,1,0,1,0,0|2,0,0]=4 545 B11R1.13 CCNc1cccc(c1O)Cl 34a_100000754742_100000210202 [0,1,0,1,0,0|2,0,0]=4 546 B11R1.13 CCNc1cccc(c1O)F 34a_100011934987_100000210202 [0,1,0,1,0,0|2,0,0]=4 547 B11R1.13 CCOc1cccc(c1N)O 271570a_203496583355_200103155331 [0,1,0,1,0,0|2,0,0]=4 548 B11R1.13 CCOc1cccn(c1=O)C 34a_100000117616_100000210202 [0,1,0,1,0,0|2,0,0]=4 549 B11R1.13 CCOc1cccn(c1=O)C 7a_100000117616_100000210202 [0,1,0,1,0,0|2,0,0]=4 550 B11R1.13 CCSc1cccc(c1Br)O 62a_100000210202_100010187914 [0,1,0,1,0,0|2,0,0]=4 551 B11R1.13 CCSc1cccc(c1Br)O 62a_100010187914_100000210202 [0,1,0,1,0,0|2,0,0]=4 552 B11R1.13 CCSc1cccc(c1C)O 62a_100000210202_100012002258 [0,1,0,1,0,0|2,0,0]=4 553 B11R1.13 CCSc1cccc(c1C)O 62a_100012002258_100000210202 [0,1,0,1,0,0|2,0,0]=4 554 B11R1.13 CCSc1cccc(c1Cl)O 62a_100000210202_100000049636 [0,1,0,1,0,0|2,0,0]=4 555 B11R1.13 CCSc1cccc(c1F)O 62a_100000210202_100009817021 [0,1,0,1,0,0|2,0,0]=4 556 B11R1.13 CCSc1cccc(c1F)O 62a_100009817021_100000210202 [0,1,0,1,0,0|2,0,0]=4 557 B11R1.13 CCSc1cccc(c1N)O 62a_100000210202_100011934926 [0,1,0,1,0,0|2,0,0]=4 558 B11R1.13 CCSc1cccc(c1O)Br 62a_100000210202_100010084509 [0,1,0,1,0,0|2,0,0]=4 559 B11R1.13 CCSc1cccc(c1O)Br 62a_100010084509_100000210202 [0,1,0,1,0,0|2,0,0]=4 560 B11R1.13 CCSc1cccc(c1O)C 62a_100000210202_100009817157 [0,1,0,1,0,0|2,0,0]=4 561 B11R1.13 CCSc1cccc(c1O)C 62a_100009817157_100000210202 [0,1,0,1,0,0|2,0,0]=4 562 B11R1.13 CCSc1cccc(c1O)Cl 62a_100000210202_100010202889 [0,1,0,1,0,0|2,0,0]=4 563 B11R1.13 CCSc1cccc(c1O)Cl 62a_100010202889_100000210202 [0,1,0,1,0,0|2,0,0]=4 564 B11R1.13 CCSc1cccc(c1O)F 62a_100000210202_100009813666 [0,1,0,1,0,0|2,0,0]=4 565 B11R1.13 CCSc1cccc(c1O)F 62a_100009813666_100000210202 [0,1,0,1,0,0|2,0,0]=4 566 B11R1.13 CCSc1cccc(c1O)N 62a_100000210202_100010084371 [0,1,0,1,0,0|2,0,0]=4 567 B11R1.13 CCSc1cccc(c1O)N 62a_100011934915_100000210202 [0,1,0,1,0,0|2,0,0]=4 568 B11R1.13 CCSc1cccc(c1O)O 62a_100000210202_100009815950 [0,1,0,1,0,0|1,0,1]=4 569 B11R1.13 CCSc1cccn(c1=O)C 62a_100000210202_100000687173 [0,1,0,1,0,0|2,0,0]=4 570 B11R1.13 CCSc1cccn(c1=O)C 62a_100000687173_100000210202 [0,1,0,1,0,0|2,0,0]=4 571 B11R1.13 CNCc1cccc(c1C)O 270004a_106832991635_100009868165 [0,1,0,1,0,0|2,0,0]=4 572 B11R1.13 CNCc1cccc(c1Cl)O 270004a_106832991635_100000050521 [0,1,0,1,0,0|2,0,0]=4 573 B11R1.13 CNCc1cccc(c1F)O 271570a_203496583355_114873767014 [0,1,0,1,0,0|2,0,0]=4 574 B11R1.13 CNCc1cccc(c1F)O 34a_100025773512_200000210301 [0,1,0,1,0,0|2,0,0]=4 575 B11R1.13 CNCc1cccc(c1O)C 34a_100020639391_200000210301 [0,1,0,1,0,0|2,0,0]=4 576 B11R1.13 CNCc1cccn(c1=O)C 207a_100102657272_100010354164 [0,1,0,1,0,0|2,0,0]=4 577 B11R1.13 CNCc1cccn(c1=O)C 270004a_106832991635_100010354164 [0,1,0,1,0,0|2,0,0]=4 578 B11R1.13 COCc1cccc(c1C)O 271570a_203496583355_100102485947 [0,1,0,1,0,0|2,0,0]=4 579 B11R1.13 Cc1c(cccc1CCN)O 271570a_203496583355_100161000114 [0,1,0,1,0,0|2,0,0]=4 580 B11R1.13 Cc1cccc(c1O)CN[13CH3] 34a_100020639391_200025704644 [0,1,0,1,0,0|2,0,0]=4 581 B11R1.13 [13CH3]NCc1cccc(c1F)O 34a_100025773512_200025704644 [0,1,0,1,0,0|2,0,0]=4 582 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,1,0,1,0,0|2,0,0]=4 583 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,1,0,1,0,0|2,0,0]=4 584 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,1,0,1,0,0|2,0,0]=4 585 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,1,0,1,0,0|2,0,0]=4 586 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,1,0,1,0,0|2,0,0]=4 587 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,1,0,1,0,0|2,0,0]=4 588 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,1,0,1,0,0|1,0,0]=3 589 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,1,0,1,0,0|1,0,0]=3 590 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,1,0,1,0,0|1,0,0]=3 591 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,1,0,1,0,0|1,0,0]=3 592 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,1,0,1,0,0|2,0,0]=4 593 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,1,0,1,0,0|2,0,0]=4 594 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,1,0,1,0,0|2,0,0]=4 595 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,1,0,1,0,0|2,0,0]=4 596 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,1,0,1,0,0|2,0,0]=4 597 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,1,0,1,0,0|2,0,0]=4 598 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,1,0,1,0,0|2,0,0]=4 599 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,1,0,1,0,0|2,0,0]=4 600 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,1,0,1,0,0|2,0,0]=4 601 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,1,0,1,0,0|2,0,0]=4 602 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,1,0,1,0,0|2,0,0]=4 603 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,1,0,1,0,0|2,0,0]=4 604 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [0,1,0,1,0,0|2,0,0]=4 605 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,1,0,1,0,0|2,0,0]=4 606 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,1,0,1,0,0|2,0,0]=4 607 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,1,0,1,0,0|2,0,0]=4 608 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,1,0,1,0,0|2,0,0]=4 609 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,1,0,1,0,0|2,0,0]=4 610 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,1,0,1,0,0|2,0,0]=4 611 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,1,0,1,0,0|2,0,0]=4 612 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,1,0,1,0,0|2,0,0]=4 613 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [0,1,0,1,0,0|2,0,0]=4 614 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [0,1,0,1,0,0|2,0,0]=4 615 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [0,1,0,1,0,0|2,0,0]=4 616 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [0,1,0,1,0,0|2,0,0]=4 617 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,1,0,1,0,0|2,0,0]=4 618 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,1,0,1,0,0|2,0,0]=4 619 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,1,0,1,0,0|2,0,0]=4 620 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,1,0,1,0,0|2,0,0]=4 621 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,1,0,1,0,0|2,0,0]=4 622 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [0,1,0,1,0,0|2,0,0]=4 623 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [0,1,0,1,0,0|2,0,0]=4 624 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [0,1,0,1,0,0|2,0,0]=4 625 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [0,1,0,1,0,0|2,0,0]=4 626 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [0,1,0,1,0,0|2,0,0]=4 627 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [0,1,0,1,0,0|2,0,0]=4 628 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [0,1,0,1,0,0|2,0,0]=4 629 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [0,1,0,1,0,0|2,0,0]=4 630 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [0,1,0,1,0,0|2,0,0]=4 631 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [0,1,0,1,0,0|2,0,0]=4 632 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [0,1,0,1,0,0|2,0,0]=4 633 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,1,0,1,0,0|2,0,0]=4 634 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,1,0,1,0,0|2,0,0]=4 635 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,1,0,1,0,0|2,0,0]=4 636 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,1,0,1,0,0|2,0,0]=4 637 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,1,0,1,0,0|2,0,0]=4 638 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,1,0,1,0,0|2,0,0]=4 639 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [0,1,0,1,0,0|2,0,0]=4 640 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [0,1,0,1,0,0|2,0,0]=4 641 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [0,1,0,1,0,0|2,0,0]=4 642 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [0,1,0,1,0,0|2,0,0]=4 643 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [0,1,0,1,0,0|2,0,0]=4 644 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [0,1,0,1,0,0|2,0,0]=4 645 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [0,1,0,1,0,0|2,0,0]=4 646 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,1,0,1,0,0|2,0,0]=4 647 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,1,0,1,0,0|2,0,0]=4 648 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [0,1,0,1,0,0|2,0,0]=4 649 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [0,1,0,1,0,0|2,0,0]=4 650 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [0,1,0,1,0,0|2,0,0]=4 651 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,1,0,1,0,0|2,0,0]=4 652 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,1,0,1,0,0|2,0,0]=4 653 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [0,1,0,1,0,0|2,0,0]=4 654 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [0,1,0,1,0,0|2,0,0]=4 655 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [0,1,0,1,0,0|2,0,0]=4 656 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [0,1,0,1,0,0|2,0,0]=4 657 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [0,1,0,1,0,0|2,0,0]=4 658 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [0,1,0,1,0,0|2,0,0]=4 659 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,1,0,1,0,0|2,0,0]=4 660 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,1,0,1,0,0|2,0,0]=4 661 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,1,0,1,0,0|2,0,0]=4 662 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,1,0,1,0,0|2,0,0]=4 663 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,1,0,1,0,0|2,0,0]=4 664 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,1,0,1,0,0|2,0,0]=4 665 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,1,0,1,0,0|2,0,0]=4 666 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [0,1,0,1,0,0|2,0,0]=4 667 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [0,1,0,1,0,0|2,0,0]=4 668 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [0,1,0,1,0,0|2,0,0]=4 669 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [0,1,0,1,0,0|2,0,0]=4 670 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [0,1,0,1,0,0|2,0,0]=4 671 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,1,0,1,0,0|2,0,0]=4 672 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,1,0,1,0,0|2,0,0]=4 673 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,1,0,1,0,0|2,0,0]=4 674 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,1,0,1,0,0|2,0,0]=4 675 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [0,1,0,1,0,0|2,0,0]=4 676 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [0,1,0,1,0,0|2,0,0]=4 677 B11R1.59 CCC1C=CCN1C(=O)CO 240690a_100000730860_100000210174 [0,1,0,1,0,0|1,0,1]=4 678 B11R1.59 CCC1C=CCN1C(=O)CO 527a_100000730860_100000210174 [0,1,0,1,0,0|1,0,1]=4 679 B11R1.17 C#CCOc1cccoc1=O 34a_100000077404_100000184674 [0,1,0,1,0,0|0,0,2]=4 680 B11R1.17 C#CCOc1cccoc1=O 7a_100000077404_100000038162 [0,1,0,1,0,0|0,0,2]=4 681 B11R1.17 C=CCOc1cccoc1=O 34a_100000077404_100015514636 [0,1,0,1,0,0|0,0,2]=4 682 B11R1.17 C=CCOc1cccoc1=O 7a_100000077404_100015514636 [0,1,0,1,0,0|0,0,2]=4 683 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,1,0,0|2,0,0]=4 684 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,1,0,0|1,0,0]=3 685 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,1,0,0|2,0,0]=4 686 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,1,0,0|2,0,0]=4 687 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,1,0,0|2,0,0]=4 688 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,1,0,0|2,0,0]=4 689 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,1,0,0|2,0,0]=4 690 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,1,0,0|1,0,0]=3 691 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,1,0,0|2,0,0]=4 692 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,1,0,0|2,0,0]=4 693 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,1,0,0|2,0,0]=4 694 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,1,0,0|2,0,0]=4 695 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,1,0,0|2,0,0]=4 696 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [0,1,0,1,0,0|2,0,0]=4 697 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,1,0,0|2,0,0]=4 698 B11R1.17 CCCCc1cncnc1O 271570a_100020621405_100000751107 [0,1,0,1,0,0|2,0,0]=4 699 B11R1.17 CCCCc1ncc[nH]c1=O 271570a_100020621405_100000763361 [0,1,0,1,0,0|2,0,0]=4 700 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,1,0,0|2,0,0]=4 701 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,1,0,0|2,0,0]=4 702 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,1,0,0|2,0,0]=4 703 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,1,0,0|2,0,0]=4 704 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,1,0,0|2,0,0]=4 705 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,1,0,0|2,0,0]=4 706 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,1,0,0|1,0,0]=3 707 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,1,0,0|2,0,0]=4 708 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,1,0,0|2,0,0]=4 709 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,1,0,0|2,0,0]=4 710 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,1,0,0|2,0,0]=4 711 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,1,0,0|2,0,0]=4 712 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,1,0,0|2,0,0]=4 713 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,1,0,0|2,0,0]=4 714 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,1,0,0|2,0,0]=4 715 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,1,0,0|2,0,0]=4 716 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,1,0,0|2,0,0]=4 717 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,1,0,0|2,0,0]=4 718 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,1,0,0|2,0,0]=4 719 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,1,0,0|1,0,0]=3 720 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [0,1,0,1,0,0|2,0,0]=4 721 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [0,1,0,1,0,0|2,0,0]=4 722 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [0,1,0,1,0,0|2,0,0]=4 723 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [0,1,0,1,0,0|2,0,0]=4 724 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [0,1,0,1,0,0|2,0,0]=4 725 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [0,1,0,1,0,0|2,0,0]=4 726 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [0,1,0,1,0,0|2,0,0]=4 727 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [0,1,0,1,0,0|2,0,0]=4 728 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [0,1,0,1,0,0|2,0,0]=4 729 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [0,1,0,1,0,0|2,0,0]=4 730 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [0,1,0,1,0,0|2,0,0]=4 731 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [0,1,0,1,0,0|2,0,0]=4 732 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,1,0,0|0,0,0]=2 733 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,1,0,0|0,0,0]=2 734 B11R1.17 CCCOc1coccc1=O 34a_100000060831_100000210303 [0,1,0,1,0,0|2,0,0]=4 735 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [0,1,0,1,0,0|2,0,0]=4 736 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100000210303_100009998708 [0,1,0,1,0,0|2,0,0]=4 737 B11R1.17 CCCSc1c[nH]ccc1=O 62a_100009998708_100000210303 [0,1,0,1,0,0|2,0,0]=4 738 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,1,0,0|2,0,0]=4 739 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,1,0,0|2,0,0]=4 740 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,1,0,0|2,0,0]=4 741 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,1,0,0|2,0,0]=4 742 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,1,0,0|2,0,0]=4 743 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,1,0,0|2,0,0]=4 744 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,1,0,0|2,0,0]=4 745 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,1,0,0|2,0,0]=4 746 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,1,0,0|2,0,0]=4 747 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,1,0,0|2,0,0]=4 748 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,1,0,0|1,0,0]=3 749 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,1,0,0|1,0,0]=3 750 B11R1.17 CCCSc1cccnc1Br 62a_100000210303_100010202626 [0,1,0,1,0,0|2,0,0]=4 751 B11R1.17 CCCSc1cccnc1Br 62a_100010202626_100000210303 [0,1,0,1,0,0|2,0,0]=4 752 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [0,1,0,1,0,0|2,0,0]=4 753 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [0,1,0,1,0,0|2,0,0]=4 754 B11R1.17 CCCSc1cccnc1Cl 62a_100000036424_100000210303 [0,1,0,1,0,0|2,0,0]=4 755 B11R1.17 CCCSc1cccnc1Cl 62a_100000210303_100000036424 [0,1,0,1,0,0|2,0,0]=4 756 B11R1.17 CCCSc1cccnc1F 62a_100000210303_100009816115 [0,1,0,1,0,0|2,0,0]=4 757 B11R1.17 CCCSc1cccnc1F 62a_100009816115_100000210303 [0,1,0,1,0,0|2,0,0]=4 758 B11R1.17 CCCSc1cccnc1N 62a_100000045569_100000210303 [0,1,0,1,0,0|2,0,0]=4 759 B11R1.17 CCCSc1cccnc1N 62a_100000210303_100000045569 [0,1,0,1,0,0|2,0,0]=4 760 B11R1.17 CCCSc1cccnc1O 62a_100000210303_100000760158 [0,1,0,1,0,0|1,0,0]=3 761 B11R1.17 CCCSc1cccnc1O 62a_100000760158_100000210303 [0,1,0,1,0,0|1,0,0]=3 762 B11R1.17 CCCSc1ccn[nH]c1=O 62a_100000210303_100000087129 [0,1,0,1,0,0|2,0,0]=4 763 B11R1.17 CCCSc1ccncc1O 62a_100000210303_100009817591 [0,1,0,1,0,0|2,0,0]=4 764 B11R1.17 CCCSc1ccncc1O 62a_100009817591_100000210303 [0,1,0,1,0,0|2,0,0]=4 765 B11R1.17 CCCSc1cncnc1O 62a_100000210303_100000751107 [0,1,0,1,0,0|2,0,0]=4 766 B11R1.17 CCCSc1cncnc1O 62a_100000751107_100000210303 [0,1,0,1,0,0|2,0,0]=4 767 B11R1.17 CCCSc1ncc[nH]c1=O 62a_100000210303_100000763361 [0,1,0,1,0,0|2,0,0]=4 768 B11R1.17 CCCSc1ncccc1O 62a_100000034122_100000210303 [0,1,0,1,0,0|2,0,0]=4 769 B11R1.17 CCCSc1ncccc1O 62a_100000210303_100000034122 [0,1,0,1,0,0|2,0,0]=4 770 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,1,0,0|2,0,0]=4 771 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,1,0,0|2,0,0]=4 772 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,1,0,0|2,0,0]=4 775 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,1,0,0|2,0,0]=4 776 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,1,0,0|2,0,0]=4 777 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,1,0,0|2,0,0]=4 778 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,1,0,0|2,0,0]=4 779 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,1,0,0|2,0,0]=4 780 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,1,0,0|2,0,0]=4 781 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,1,0,0|2,0,0]=4 782 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,1,0,0|2,0,0]=4 783 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,1,0,0|2,0,0]=4 784 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,1,0,0|2,0,0]=4 785 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,1,0,0|2,0,0]=4 786 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,1,0,0|2,0,0]=4 787 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,1,0,0|2,0,0]=4 788 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,1,0,0|2,0,0]=4 789 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,1,0,0|2,0,0]=4 790 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,1,0,0|2,0,0]=4 791 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,1,0,0|1,0,0]=3 792 B11R1.17 CCNCc1cccnc1Br 2230a_100009818023_100000210202 [0,1,0,1,0,0|2,0,0]=4 793 B11R1.17 CCNCc1cccnc1Br 2230a_100015525214_100010140945 [0,1,0,1,0,0|2,0,0]=4 794 B11R1.17 CCNCc1cccnc1Br 34a_100009818023_100000210202 [0,1,0,1,0,0|2,0,0]=4 795 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [0,1,0,1,0,0|2,0,0]=4 796 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [0,1,0,1,0,0|2,0,0]=4 797 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [0,1,0,1,0,0|2,0,0]=4 798 B11R1.17 CCNCc1cccnc1Cl 2230a_100015189234_100000210202 [0,1,0,1,0,0|2,0,0]=4 799 B11R1.17 CCNCc1cccnc1Cl 2230a_100015525214_100000045678 [0,1,0,1,0,0|2,0,0]=4 800 B11R1.17 CCNCc1cccnc1Cl 34a_100015189234_100000210202 [0,1,0,1,0,0|2,0,0]=4 801 B11R1.17 CCNCc1cccnc1F 2230a_100015525214_100000099810 [0,1,0,1,0,0|2,0,0]=4 802 B11R1.17 CCNCc1cccnc1F 34a_100000724633_100000210202 [0,1,0,1,0,0|2,0,0]=4 803 B11R1.17 CCNCc1cccnc1O 207a_100015525214_100011998315 [0,1,0,1,0,0|1,0,0]=3 804 B11R1.17 CCNCc1cccnc1O 270004a_100015525214_100011998315 [0,1,0,1,0,0|1,0,0]=3 805 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,1,0,0|2,0,0]=4 806 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,1,0,0|2,0,0]=4 807 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,1,0,0|2,0,0]=4 808 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,1,0,0|2,0,0]=4 809 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,1,0,0|2,0,0]=4 810 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,1,0,0|2,0,0]=4 811 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,1,0,0|2,0,0]=4 812 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,1,0,0|2,0,0]=4 813 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,1,0,0|2,0,0]=4 814 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,1,0,0|2,0,0]=4 815 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,1,0,0|2,0,0]=4 816 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,1,0,0|2,0,0]=4 817 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,1,0,0|2,0,0]=4 818 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,1,0,0|2,0,0]=4 819 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,1,0,0|2,0,0]=4 820 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,1,0,0|2,0,0]=4 821 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,1,0,0|1,0,0]=3 822 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [0,1,0,1,0,0|2,0,0]=4 823 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [0,1,0,1,0,0|2,0,0]=4 824 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [0,1,0,1,0,0|2,0,0]=4 825 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [0,1,0,1,0,0|2,0,0]=4 826 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [0,1,0,1,0,0|2,0,0]=4 827 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [0,1,0,1,0,0|2,0,0]=4 828 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [0,1,0,1,0,0|2,0,0]=4 829 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [0,1,0,1,0,0|2,0,0]=4 830 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [0,1,0,1,0,0|2,0,0]=4 831 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [0,1,0,1,0,0|2,0,0]=4 832 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [0,1,0,1,0,0|2,0,0]=4 833 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [0,1,0,1,0,0|2,0,0]=4 834 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [0,1,0,1,0,0|2,0,0]=4 835 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,1,0,0|2,0,0]=4 836 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,1,0,0|2,0,0]=4 837 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,1,0,0|2,0,0]=4 838 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,1,0,0|2,0,0]=4 839 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,1,0,0|2,0,0]=4 840 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,1,0,0|2,0,0]=4 841 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,1,0,0|2,0,0]=4 842 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,1,0,0|2,0,0]=4 843 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,1,0,0|2,0,0]=4 844 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,1,0,0|2,0,0]=4 845 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,1,0,0|1,0,0]=3 846 B11R1.17 CCSCc1cccnc1Br 62a_100000210202_100010140945 [0,1,0,1,0,0|2,0,0]=4 847 B11R1.17 CCSCc1cccnc1Br 62a_100010140945_100000210202 [0,1,0,1,0,0|2,0,0]=4 848 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [0,1,0,1,0,0|2,0,0]=4 849 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [0,1,0,1,0,0|2,0,0]=4 850 B11R1.17 CCSCc1cccnc1Cl 62a_100000045678_100000210202 [0,1,0,1,0,0|2,0,0]=4 851 B11R1.17 CCSCc1cccnc1Cl 62a_100000210202_100000045678 [0,1,0,1,0,0|2,0,0]=4 852 B11R1.17 CCSCc1cccnc1F 62a_100000099810_100000210202 [0,1,0,1,0,0|2,0,0]=4 853 B11R1.17 CCSCc1cccnc1F 62a_100000210202_100000099810 [0,1,0,1,0,0|2,0,0]=4 854 B11R1.17 CCSCc1ncccc1O 62a_100000210202_200020655725 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.17 CCSCc1ncccc1O 62a_200020655725_100000210202 [0,1,0,1,0,0|2,0,0]=4 856 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,1,0,0|2,0,0]=4 858 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,1,0,0|2,0,0]=4 859 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,1,0,0|2,0,0]=4 860 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,1,0,0|2,0,0]=4 863 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,1,0,0|2,0,0]=4 868 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,1,0,0|2,0,0]=4 871 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,1,0,0|2,0,0]=4 872 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,1,0,0|2,0,0]=4 873 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,1,0,0|2,0,0]=4 874 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,1,0,0|2,0,0]=4 875 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,1,0,0|2,0,0]=4 877 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,1,0,0|1,0,0]=3 878 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,1,0,0|1,0,0]=3 879 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,1,0,0|1,0,0]=3 880 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [0,1,0,1,0,0|2,0,0]=4 881 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,1,0,0|2,0,0]=4 882 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,1,0,0|2,0,0]=4 885 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,1,0,0|2,0,0]=4 886 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,1,0,0|2,0,0]=4 887 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,1,0,0|2,0,0]=4 888 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,1,0,0|2,0,0]=4 889 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,1,0,0|2,0,0]=4 890 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,1,0,0|2,0,0]=4 891 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,1,0,0|2,0,0]=4 892 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,1,0,0|2,0,0]=4 893 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,1,0,0|2,0,0]=4 894 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,1,0,0|2,0,0]=4 895 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,1,0,0|2,0,0]=4 896 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,1,0,0|1,0,0]=3 897 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,1,0,0|2,0,0]=4 898 B11R1.17 COCOc1cccnc1O 271570a_203496583355_100011935308 [0,1,0,1,0,0|2,0,0]=4 899 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,1,0,0|2,0,0]=4 900 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,1,0,0|2,0,0]=4 901 B11R1.17 COCSc1cccnc1O 62a_100000760158_100000766300 [0,1,0,1,0,0|2,0,0]=4 902 B11R1.17 COCSc1cccnc1O 62a_100000766300_100000760158 [0,1,0,1,0,0|2,0,0]=4 903 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,1,0,0|2,0,0]=4 904 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,1,0,0|2,0,0]=4 905 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,1,0,0|2,0,0]=4 906 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,1,0,0|2,0,0]=4 907 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,1,0,0|2,0,0]=4 908 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,1,0,0|2,0,0]=4 909 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,1,0,0|2,0,0]=4 910 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,1,0,0|2,0,0]=4 911 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,1,0,0|1,0,0]=3 912 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,1,0,0|1,0,0]=3 913 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,1,0,0|2,0,0]=4 914 B11R1.17 CSCOc1cccoc1=O 34a_100000077404_100011218213 [0,1,0,1,0,0|1,0,0]=3 915 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,1,0,0|2,0,0]=4 916 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,1,0,0|2,0,0]=4 917 B11R1.17 CSCSc1cccnc1O 62a_100000760158_100011218213 [0,1,0,1,0,0|2,0,0]=4 918 B11R1.17 CSCSc1cccnc1O 62a_100011218213_100000760158 [0,1,0,1,0,0|2,0,0]=4 919 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,1,0,0|2,0,0]=4 920 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,1,0,0|2,0,0]=4 921 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,1,0,0|2,0,0]=4 922 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,1,0,0|2,0,0]=4 923 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,1,0,0|2,0,0]=4 924 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,1,0,0|2,0,0]=4 925 B11R1.17 N#CCOc1cccoc1=O 7a_100000077404_100011215382 [0,1,0,1,0,0|1,0,1]=4 926 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,1,0,1,0,0|2,0,0]=4 927 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,1,0,0|1,0,1]=4 928 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [0,1,0,1,0,0|1,0,1]=4 929 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [0,1,0,1,0,0|1,0,1]=4 930 B11R1.17 O=c1occcc1OCCF 34a_100000077404_100011217306 [0,1,0,1,0,0|1,0,0]=3 931 B11R1.17 O=c1occcc1OCCF 7a_100000077404_100011217306 [0,1,0,1,0,0|1,0,0]=3 932 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [0,1,0,1,0,0|1,0,0]=3 933 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [0,1,0,1,0,0|1,0,0]=3 934 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,1,0,0|1,0,0]=3 935 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,1,0,0|2,0,0]=4 936 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,1,0,0|2,0,0]=4 937 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,1,0,0|2,0,0]=4 938 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,1,0,0|2,0,0]=4 939 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,1,0,0|2,0,0]=4 940 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [0,1,0,1,0,0|2,0,0]=4 941 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [0,1,0,1,0,0|2,0,0]=4 942 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,1,0,1,0,0|2,0,0]=4 943 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,1,0,1,0,0|2,0,0]=4 944 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,1,0,1,0,0|2,0,0]=4 945 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,1,0,1,0,0|2,0,0]=4 946 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [0,1,0,1,0,0|2,0,0]=4 947 B11R1.17 Oc1ncccc1SCCF 62a_100000760158_100011217306 [0,1,0,1,0,0|2,0,0]=4 948 B11R1.17 Oc1ncccc1SCCF 62a_100011217306_100000760158 [0,1,0,1,0,0|2,0,0]=4 949 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,1,0,0|2,0,0]=4 950 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,1,0,0|2,0,0]=4 951 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,1,0,0|2,0,0]=4 952 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,1,0,0|2,0,0]=4 953 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,1,0,0|2,0,0]=4 954 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,1,0,0|2,0,0]=4 955 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,1,0,0|1,0,0]=3 956 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [0,1,0,1,0,0|2,0,0]=4 957 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,1,0,0|2,0,0]=4 958 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,1,0,0|2,0,0]=4 959 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,1,0,0|2,0,0]=4 960 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,1,0,0|2,0,0]=4 961 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,1,0,0|2,0,0]=4 964 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,1,0,0|2,0,0]=4 965 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,1,0,0|2,0,0]=4 966 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,1,0,0|2,0,0]=4 967 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,1,0,0|2,0,0]=4 969 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,1,0,0|2,0,0]=4 970 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,1,0,0|2,0,0]=4 971 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,1,0,0|2,0,0]=4 972 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,1,0,0|1,0,0]=3 973 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,1,0,0|1,0,0]=3 974 B11R1.81 CCCc1cnc(nc1O)C 271570a_203496583355_200000069602 [0,1,0,1,0,0|1,0,1]=4 975 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [0,1,0,1,0,0|2,0,0]=4 976 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [0,1,0,1,0,0|2,0,0]=4 977 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [0,1,0,1,0,0|2,0,0]=4 978 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [0,1,0,1,0,0|2,0,0]=4 979 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [0,1,0,1,0,0|2,0,0]=4 980 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [0,1,0,1,0,0|2,0,0]=4 981 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [0,1,0,1,0,0|2,0,0]=4 982 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [0,1,0,1,0,0|2,0,0]=4 983 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [0,1,0,1,0,0|2,0,0]=4 984 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [0,1,0,1,0,0|2,0,0]=4 985 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [0,1,0,1,0,0|2,0,0]=4 986 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [0,1,0,1,0,0|2,0,0]=4 987 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [0,1,0,1,0,0|2,0,0]=4 988 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [0,1,0,1,0,0|2,0,0]=4 989 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [0,1,0,1,0,0|2,0,0]=4 990 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [0,1,0,1,0,0|2,0,0]=4 991 B11R1.81 CCSc1ccc(nc1O)C 62a_100000210202_100009817604 [0,1,0,1,0,0|2,0,0]=4 992 B11R1.81 CCSc1ccc(nc1O)C 62a_100009817604_100000210202 [0,1,0,1,0,0|2,0,0]=4 993 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [0,1,0,1,0,0|2,0,0]=4 994 B11R1.230 C=CCNC1CC(OC1=O)C 2230a_100020586998_200000216747 [0,1,0,1,0,0|0,0,2]=4 995 B11R1.230 C=CCOC1CC(OC1=O)C 34a_200000210373_200000216747 [0,1,0,1,0,0|0,0,2]=4 996 B11R1.230 C=CCSC1CC(OC1=O)C 62a_100000210623_200000216747 [0,1,0,1,0,0|0,0,2]=4 997 B11R1.230 C=CCSC1CC(OC1=O)C 62a_200000216747_100000210623 [0,1,0,1,0,0|0,0,2]=4 998 B11R1.230 CCOCc1cc(oc1C)C 34a_100000688432_100000210202 [0,1,0,1,0,0|1,0,1]=4 999 B11R1.230 CCOCc1cc(oc1C)C 7a_100000688432_100000210202 [0,1,0,1,0,0|1,0,1]=4 1000 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,1,0,0|1,0,1]=4 1001 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,1,0,0|1,0,1]=4 1002 B11R1.905 C=CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210623 [0,1,0,1,0,0|0,0,2]=4 1003 B11R2.55 Brc1ccccc1C2CC2 271570a_100011220607_100000695589 [0,0,0,2,0,0|2,0,0]=4 1004 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [0,0,0,2,0,0|2,0,0]=4 1005 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [0,0,0,2,0,0|2,0,0]=4 1006 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [0,0,0,2,0,0|2,0,0]=4 1007 B11R2.55 Clc1ccccc1C2CC2 271570a_100011220607_100000764095 [0,0,0,2,0,0|2,0,0]=4 1008 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [0,0,0,2,0,0|2,0,0]=4 1009 B11R2.55 Fc1ccccc1C2CC2 271570a_100011220607_100011215700 [0,0,0,2,0,0|2,0,0]=4 1010 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [0,0,0,2,0,0|2,0,0]=4 1011 B11R2.55 Nc1ccccc1C2CC2 271570a_100011220607_100000210017 [0,0,0,2,0,0|2,0,0]=4 1012 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [0,0,0,2,0,0|2,0,0]=4 1013 B11R2.55 O=c1[nH]cccc1C2CC2 271570a_100011220607_100000050042 [0,0,0,2,0,0|1,0,0]=3 1014 B11R2.55 O=c1[nH]ccnc1C2CC2 271570a_100011220607_100000763361 [0,0,0,2,0,0|2,0,0]=4 1015 B11R2.55 O=c1[nH]nccc1C2CC2 271570a_100011220607_100000087129 [0,0,0,2,0,0|2,0,0]=4 1016 B11R2.55 O=c1cc[nH]cc1C2CC2 271570a_100011220607_100009998708 [0,0,0,2,0,0|2,0,0]=4 1017 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [0,0,0,2,0,0|1,0,0]=3 1018 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [0,0,0,2,0,0|1,0,0]=3 1019 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [0,0,0,2,0,0|2,0,0]=4 1020 B11R2.55 Oc1cnccc1C2CC2 271570a_100011220607_100009817591 [0,0,0,2,0,0|2,0,0]=4 1021 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [0,0,0,2,0,0|1,0,0]=3 1022 B11R2.55 Oc1ncncc1C2CC2 271570a_100011220607_100000751107 [0,0,0,2,0,0|2,0,0]=4 1023 B11R2.106 Oc1cccc2c1CCC2 271570a_203496583355_100010343934 [0,0,0,2,0,0|1,0,0]=3 1024 B11R2.106 Oc1cccc2c1CCN2 271570a_203496583355_100009817896 [0,0,0,2,0,0|2,0,0]=4 1025 B11R2.106 Oc1cccc2c1CCO2 271570a_203496583355_100009819624 [0,0,0,2,0,0|2,0,0]=4 1026 B11R2.106 Oc1cccc2c1CNC2 271570a_203496583355_100000703859 [0,0,0,2,0,0|2,0,0]=4 1027 B11R2.106 Oc1cccc2c1COC2 271570a_203496583355_100010384907 [0,0,0,2,0,0|2,0,0]=4 1028 B11R2.106 Oc1cccc2c1NCC2 271570a_203496583355_100016995435 [0,0,0,2,0,0|2,0,0]=4 1029 B11R2.106 Oc1cccc2c1OCC2 271570a_203496583355_100009818991 [0,0,0,2,0,0|2,0,0]=4 1030 B11R2.106 Oc1ccnc2c1CCC2 271570a_203496583355_100000102697 [0,0,0,2,0,0|2,0,0]=4 1031 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [0,0,0,2,0,0|2,0,0]=4 1032 B11R2.106 Oc1ncnc2c1CCC2 271570a_203496583355_100000750143 [0,0,0,2,0,0|2,0,0]=4