0 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 ACS011513 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 ACS019275 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 BrC=1C=C2C=CN=CC2=CC1 ACS011822 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.24 BrC=1C=NC2=NC=CC=C2C1 ACS019320 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.24 C1=C(C=CC2=CC=CC=C12)O ACS015497 [0,0,0,0,0,0|0,1,0]=1 5 B12R2.24 C1=NC=CC2=CC(=CC=C12)N ACS020640 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.24 C1=NC=CC2=CC(=CC=C12)O ACS019274 [0,0,0,0,0,0|1,1,0]=2 7 B12R2.24 C1=NC=CC2=CC=C(C=C12)N ACS018637 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 C1=NC=CC2=CC=C(C=C12)O ACS017356 [0,0,0,0,0,0|1,1,0]=2 9 B12R2.24 CC1=CC=C2C=CC=NC2=C1 ACS010846 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ACS011598 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.24 CC=1C=CC=2C(=NC=CN2)N1 ACS020975 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.24 Cc1ccc2ccccc2n1 ACS015496 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 ClC1=CC=C2C=NC=NC2=C1 ACS011704 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.24 FC=1C=C2C=CN=CC2=CC1 ACF017349 [0,0,0,0,0,0|2,0,0]=2 15 B12R2.24 IC=1C=C2C=CC=NC2=CC1 ACS017174 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.24 N1=C(C=CC2=NC=CC=C12)O ACS019147 [0,0,0,0,0,0|2,1,0]=3 17 B12R2.24 N1C(C=CC2=CN=CC=C12)=O ACS019125 [0,0,0,0,0,0|2,1,0]=3 18 B12R2.24 NC1=CC2=CC=CC=C2C=C1 ACS015421 [0,0,0,0,0,0|1,0,0]=1 19 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [0,0,0,0,0,0|2,1,1]=4 20 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [0,0,0,0,0,0|1,1,2]=4 21 B11R2.20 C1=NC=CC2=CC=CC=C12 ACS015488 [1,0,0,0,0,0|1,0,0]=2 22 B11R2.20 C1=NC=CC2=CC=NC=C12 ACS019259 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.20 C1=NN=CC2=CC=CC=C12 ACS024400 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.20 N1=CC=CC2=CN=CC=C12 ACS019270 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.20 N1=CC=CC2=NC=CC=C12 ACS019642 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.32 BrC1=C(C2=CC=CC=C2C=C1)O ACS020045 [0,1,0,0,0,0|1,0,0]=2 27 B13R2.32 BrC1=C(C=CC2=CC=CC=C12)N ACS020343 [0,1,0,0,0,0|1,0,0]=2 28 B13R2.32 BrC1=C(N=CC2=CC=CC=C12)N ACS019154 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.32 BrC=1C(=C2C=CN=CC2=CC1)Cl ACS020729 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.32 BrC=1C(=CC=C2C=CN=CC12)O ACS020733 [0,1,0,0,0,0|1,1,0]=3 31 B13R2.57 C1=C(C=CC2=CC=CC=C12)CN ACS016020 [0,1,0,0,0,0|1,0,0]=2 32 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 ACS017163 [0,1,0,0,0,0|1,0,0]=2 33 B13R2.57 N1=CC=CC2=CC(=CC=C12)C=O ACS011306 [0,1,0,0,0,0|1,1,0]=3 34 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)Cl ACS017361 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.155 BrC1=CC=C2C=CC(=NC2=C1)N ACS020497 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.155 BrC1=CC=C2N=CC(=NC2=C1)Cl ACS019295 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.155 BrC=1C=C2C=C(N=CC2=CC1)F ACF021631 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.155 ClC=1N=CC2=CC=C(C=C2C1)F ACF021630 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.155 OC1=CC=C2C=CC(NC2=C1)=O ACS010856 [0,1,0,0,0,0|1,1,0]=3 40 B13R2.162 BrC=1C=CC=C2C=CC(=NC12)N ACS019117 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.162 BrC=1C=CC=C2C=CC(NC12)=O ACS017354 [0,1,0,0,0,0|1,1,0]=3 42 B13R2.162 BrC=1C=CC=C2N=CC(=NC12)Cl ACS020322 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)F ACF015526 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.162 ClC1=NC=CC2=CC=C(C=C12)C ACS020070 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.162 ClC1=NC=CC2=CC=C(C=C12)O ACS020752 [0,1,0,0,0,0|1,1,0]=3 46 B13R2.162 FC1=C2C=C(N=CC2=CC=C1)N ACF023270 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.162 FC=1C=C2C(=NC=NC2=CC1)N ACF020415 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.162 OC=1C=C2C(NC=NC2=CC1)=O ACS019118 [0,1,0,0,0,0|2,1,0]=4 49 B13R2.328 BrC1=CC(=CC2=CC=CC=C12)I ACS020897 [0,1,0,0,0,0|1,0,0]=2 50 B13R2.328 BrC1=CC(=NC2=CC=CC=C12)N ACS017351 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.328 BrC1=NC(=CC2=CC=CC=C12)Br ACS015451 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.328 BrC1=NC2=CC=CC=C2C(=C1)N ACS018879 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.328 BrC=1C=C2C=CC=NC2=C(C1)O ACS020695 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.328 CC=1N=C(C2=CC=CC=C2C1)O ACS019114 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.328 ClC1=C2C=CC=NC2=CC(=N1)Cl ACS011648 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.328 ClC1=CC(=NC2=CC=CC=C12)N ACS019193 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.328 ClC1=NC2=CC=CC=C2C(=N1)Cl ACS015454 [0,1,0,0,0,0|3,0,0]=4 58 B13R2.328 NC1=NC2=CC=CC=C2C(=C1)O ACS019189 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.328 NC1=NC2=CC=CC=C2C(=N1)O ACS019195 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.328 OC1=CC(=CC2=CC=CC=C12)O ACS024035 [0,1,0,0,0,0|0,1,0]=2 61 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O ACS015511 [0,1,0,0,0,0|2,1,0]=4 62 B13R2.369 CC1=C(C=C2C=CC=NC2=C1)O ACS020406 [0,1,0,0,0,0|1,1,0]=3 63 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl ACS017210 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.3683 BrC1=CC2=CC=C(C=C2C=C1)F ACF015437 [0,1,0,0,0,0|1,0,0]=2 65 B13R2.3683 BrC=1C=C2C=CC(=CC2=CC1)O ACS015440 [0,1,0,0,0,0|0,1,0]=2 66 B13R2.3683 BrC=1C=C2C=CC(NC2=CC1)=O ACS017355 [0,1,0,0,0,0|1,1,0]=3 67 B13R2.3683 BrC=1C=C2C=NC(=NC2=CC1)I ACS019832 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.3683 BrC=1C=C2C=NC(=NC2=CC1)N ACS019831 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.3683 BrC=1C=C2C=NC(NC2=CC1)=O ACS023890 [0,1,0,0,0,0|2,1,0]=4 70 B13R2.3683 BrC=1C=NC2=CC(=CC=C2C1)I ACS020896 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.3683 CC=1C=C2C=CC(=CC2=CC1)O ACS019324 [0,1,0,0,0,0|0,1,0]=2 72 B13R2.3683 ClC1=NC2=CC=C(N=C2C=C1)Cl ACS020580 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.3683 ClC=1C=C2C=CC(=CC2=CC1)O ACS017384 [0,1,0,0,0,0|0,1,0]=2 74 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)N ACF017273 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)O ACF017274 [0,1,0,0,0,0|0,1,0]=2 76 B13R2.3683 FC=1C=C2C=CC(=NC2=CC1)C ACF015475 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)Br ACS015412 [0,1,0,0,0,0|1,0,0]=2 78 B13R2.3683 NC=1C=C2C=CC(NC2=CC1)=O ACS019131 [0,1,0,0,0,0|1,1,0]=3 79 B13R2.3683 NC=1C=C2N=CC(NC2=CC1)=O ACS020816 [0,1,0,0,0,0|2,1,0]=4 80 B13R2.5179 BrC1=C2C=CC(=NC2=CC=C1)N ACS017350 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.5179 BrC=1C=C2C=CN=C(C2=CC1)Cl ACS023889 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.5179 BrC=1C=CC=C2C=C(C=NC12)I ACS018903 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.5179 CC=1C=C2C=CC=C(C2=CC1)N ACS020770 [0,1,0,0,0,0|1,0,0]=2 84 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)C ACS020355 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.5179 ClC1=NC=NC2=CC(=CC=C12)F ACF021132 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.5179 ClC=1C=C2C=CN=C(C2=CC1)N ACS020785 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.5179 ClC=1C=CN=C2C=C(C=NC12)F ACF021864 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.5179 ClC=1C=CN=C2C=C(C=NC12)O ACS020599 [0,1,0,0,0,0|2,1,0]=4 89 B13R2.5179 FC1=CC=C2C(NC=NC2=C1)=O ACF021131 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.5179 FC=1C=C2C=CC=C(C2=CC1)N ACF020819 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.5179 FC=1C=CC=C2C=C(C=NC12)I ACF023734 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.5179 NC1=C2C=CC(=NC2=CC=C1)C ACS015418 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 FC1=CC=C(C=CC=O)C=C1 ACF014314 [0,0,1,0,0,0|2,0,0]=3 94 B11R1.91 C(=C/C1=CC=CC=C1)\B(O)O ACS019300 [0,0,1,0,0,0|2,1,0]=4 95 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [0,0,1,0,0,0|1,1,0]=3 96 B11R1.91 C1(=CC=CC=C1)C=CB(O)O ACS020908 [0,0,1,0,0,0|2,1,0]=4 97 B11R1.91 N1=CC(=CC=C1)\C=C\C(=O)O ACS011792 [0,0,1,0,0,0|2,1,0]=4 98 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACS010540 [0,0,1,0,0,0|2,1,0]=4 99 B11R2.1 BrC1=CN=C2N1C=CC=C2 ACS019234 [0,0,0,0,1,0|3,0,0]=4 100 B11R2.1 BrC1=COC2=C1C=CC=C2 ACS017484 [0,0,0,0,1,0|2,0,0]=3 101 B11R2.1 BrC1=NNC2=CC=CC=C12 ACS018804 [0,0,0,0,1,0|3,0,0]=4 102 B11R2.1 BrC=1C=NN2C1C=CC=C2 ACS012276 [0,0,0,0,1,0|3,0,0]=4 103 B11R2.1 C1(NCC2=CC=CC=C12)=O ACS017554 [0,0,0,0,1,0|1,1,1]=4 104 B11R2.1 C1(OCC2=C1C=CC=C2)=O ACS015427 [0,0,0,0,1,0|1,1,1]=4 105 B11R2.1 CC1=CNC2=C1C=NC=C2 ACS020821 [0,0,0,0,1,0|3,0,0]=4 106 B11R2.1 CC1=NNC2=CC=CC=C12 ACS017504 [0,0,0,0,1,0|3,0,0]=4 107 B11R2.1 ClC1=NOC2=C1C=CC=C2 ACS018862 [0,0,0,0,1,0|3,0,0]=4 108 B11R2.1 FC1=CNC2=NC=CC=C21 ACF021934 [0,0,0,0,1,0|3,0,0]=4 109 B11R2.1 N1N=C(C2=CC=CC=C12)N ACS017316 [0,0,0,0,1,0|3,0,0]=4 110 B11R2.1 N1NC(C2=CC=CC=C12)=O ACS017555 [0,0,0,0,1,0|2,1,0]=4 111 B11R2.1 O1N=C(C2=C1C=CC=C2)O ACS018863 [0,0,0,0,1,0|2,1,0]=4 112 B11R2.10 BrC=1OC2=C(N1)C=CC=C2 ACS019241 [0,0,0,0,1,0|3,0,0]=4 113 B11R2.10 BrC=1SC2=C(N1)C=CC=C2 ACS023936 [0,0,0,0,1,0|3,0,0]=4 114 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [0,0,0,0,1,0|0,1,2]=4 115 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [0,0,0,0,1,0|1,0,1]=3 116 B11R2.10 CC=1N=C2N(C=CC=C2)C1 ACS017374 [0,0,0,0,1,0|3,0,0]=4 117 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [0,0,0,0,1,0|2,0,0]=3 118 B11R2.10 ClC=1NC2=C(N1)C=CC=C2 ACS011055 [0,0,0,0,1,0|3,0,0]=4 119 B11R2.10 NC=1NC2=C(N1)C=CC=C2 ACS011188 [0,0,0,0,1,0|3,0,0]=4 120 B11R2.10 NC=1SC2=C(N1)C=CC=C2 ACS015408 [0,0,0,0,1,0|3,0,0]=4 121 B11R2.10 O1C(CC2=C1C=CC=C2)=O ACS012026 [0,0,0,0,1,0|1,1,1]=4 122 B11R2.10 SC=1NC2=C(N1)C=CC=C2 ACS011577 [0,0,0,0,1,0|2,0,0]=3 123 B11R2.10 SC=1OC2=C(N1)C=CC=C2 ACS011162 [0,0,0,0,1,0|2,0,0]=3 124 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 ACS017467 [0,0,0,0,1,0|2,0,0]=3 125 B11R2.36 BrC1=CC2=C(N=CO2)C=C1 ACS020151 [0,0,0,0,1,0|3,0,0]=4 126 B11R2.36 BrC1=CC=C2C(=N1)C=CS2 ACS018424 [0,0,0,0,1,0|3,0,0]=4 127 B11R2.36 BrC1=CC=C2C=CNC2=C1 ACS010202 [0,0,0,0,1,0|2,0,0]=3 128 B11R2.36 BrC1=CC=C2C=NNC2=C1 ACS020309 [0,0,0,0,1,0|3,0,0]=4 129 B11R2.36 BrC=1C=C2C(=NC1)NC=C2 ACS011650 [0,0,0,0,1,0|3,0,0]=4 130 B11R2.36 BrC=1C=C2C(=NC1)SC=C2 ACS017720 [0,0,0,0,1,0|3,0,0]=4 131 B11R2.36 BrC=1C=C2C=CNC2=CC1 ACS015438 [0,0,0,0,1,0|2,0,0]=3 132 B11R2.36 BrC=1C=CC2=C(C=CO2)C1 ACS015429 [0,0,0,0,1,0|2,0,0]=3 133 B11R2.36 BrC=1C=CC2=C(C=CS2)C1 ACS011071 [0,0,0,0,1,0|2,0,0]=3 134 B11R2.36 BrC=1C=CC2=C(SC=C2)C1 ACS017276 [0,0,0,0,1,0|2,0,0]=3 135 B11R2.36 CC=1C=CC2=C(C=CO2)C1 ACS017479 [0,0,0,0,1,0|2,0,0]=3 136 B11R2.36 CC=1C=CC2=C(SC=C2)C1 ACS017461 [0,0,0,0,1,0|2,0,0]=3 137 B11R2.36 ClC1=CC2=C(C=CO2)C=C1 ACS017666 [0,0,0,0,1,0|2,0,0]=3 138 B11R2.36 ClC1=CC=C2C(=N1)SC=C2 ACS017719 [0,0,0,0,1,0|3,0,0]=4 139 B11R2.36 ClC1=CC=C2C=NNC2=C1 ACS012561 [0,0,0,0,1,0|3,0,0]=4 140 B11R2.36 ClC=1C=C2C(=CN1)SC=C2 ACS018388 [0,0,0,0,1,0|3,0,0]=4 141 B11R2.36 ClC=1C=C2C(=NC1)NC=C2 ACS011651 [0,0,0,0,1,0|3,0,0]=4 142 B11R2.36 ClC=1C=C2C(=NC1)SC=C2 ACS018384 [0,0,0,0,1,0|3,0,0]=4 143 B11R2.36 ClC=1C=CC2=C(C=CO2)C1 ACS017475 [0,0,0,0,1,0|2,0,0]=3 144 B11R2.36 ClC=1C=CC2=C(NC=N2)C1 ACS020514 [0,0,0,0,1,0|3,0,0]=4 145 B11R2.36 ClC=1C=CC2=C(SC=C2)C1 ACS017651 [0,0,0,0,1,0|2,0,0]=3 146 B11R2.36 FC1=CC=2N(C=C1)C=CN2 ACF022332 [0,0,0,0,1,0|3,0,0]=4 147 B11R2.36 FC1=CC=2N(C=C1)N=CC2 ACF023229 [0,0,0,0,1,0|3,0,0]=4 148 B11R2.36 FC1=CC=C2C(=N1)NC=C2 ACF023151 [0,0,0,0,1,0|3,0,0]=4 149 B11R2.36 FC1=CC=C2C=CNC2=C1 ACF012557 [0,0,0,0,1,0|2,0,0]=3 150 B11R2.36 FC1=CC=C2C=NNC2=C1 ACF021083 [0,0,0,0,1,0|3,0,0]=4 151 B11R2.36 FC=1C=C2C(=NC1)C=CN2 ACF023323 [0,0,0,0,1,0|3,0,0]=4 152 B11R2.36 FC=1C=C2C(=NC1)NC=C2 ACF012301 [0,0,0,0,1,0|3,0,0]=4 153 B11R2.36 FC=1C=C2C=CNC2=CC1 ACF016925 [0,0,0,0,1,0|2,0,0]=3 154 B11R2.36 FC=1C=C2C=NNC2=CC1 ACF021081 [0,0,0,0,1,0|3,0,0]=4 155 B11R2.36 FC=1C=CC2=C(C=CO2)C1 ACF017476 [0,0,0,0,1,0|2,0,0]=3 156 B11R2.36 FC=1C=CC2=C(SC=C2)C1 ACF020488 [0,0,0,0,1,0|2,0,0]=3 157 B11R2.36 FC=1C=CC=2N(C1)C=CN2 ACF022331 [0,0,0,0,1,0|3,0,0]=4 158 B11R2.36 IC1=CC=C2C=NNC2=C1 ACS011884 [0,0,0,0,1,0|3,0,0]=4 159 B11R2.36 IC=1C=C2C=NNC2=CC1 ACS017520 [0,0,0,0,1,0|3,0,0]=4 160 B11R2.36 N1C=CC=2C1=NC=C(C2)O ACS019955 [0,0,0,0,1,0|2,1,0]=4 161 B11R2.36 N1C=NC2=C1C=CC(=C2)N ACS023898 [0,0,0,0,1,0|3,0,0]=4 162 B11R2.36 NC1=CC2=C(N=CN2)C=C1 ACS015407 [0,0,0,0,1,0|3,0,0]=4 163 B11R2.36 O1C=CC2=C1C=C(C=C2)O ACS017489 [0,0,0,0,1,0|1,1,0]=3 164 B11R2.36 O1C=CC2=C1C=CC(=C2)O ACS020186 [0,0,0,0,1,0|1,1,0]=3 165 B11R2.36 O1C=NC2=C1C=CC(=C2)N ACS020829 [0,0,0,0,1,0|3,0,0]=4 166 B11R2.36 OC=1C=C2C=CNC2=CC1 ACS011023 [0,0,0,0,1,0|1,1,0]=3 167 B11R2.36 S1C2=C(C=C1)C=CC(=C2)N ACS020138 [0,0,0,0,1,0|2,0,0]=3 168 B11R2.36 S1C2=C(C=C1)C=CC(=C2)O ACS018372 [0,0,0,0,1,0|1,1,0]=3 169 B10R1.17 C(C=CC1=CC=CC=C1)Cl ACS015577 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.20 C=1(C(=CC=CC1)C=O)C=O ACS014310 [1,0,1,0,0,0|1,1,0]=4 171 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 ACS013033 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.21 ClC1=CC=C(C=C1)C=CC(C)=O ACS014642 [0,1,1,0,0,0|1,0,1]=4 173 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 ACS013020 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.226 BrC=1C=C(C=CC(=O)O)C=CC1 ACS017119 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.226 ClC=1C=C(C=CC(=O)O)C=CC1 ACS013023 [0,1,1,0,0,0|2,0,0]=4 176 B12R1.226 FC=1C=C(C=CC(=O)O)C=CC1 ACF013032 [0,1,1,0,0,0|2,0,0]=4 177 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 ACS019107 [1,1,0,0,0,0|1,0,0]=3 178 B12R2.1081 BrC1=NC=CC2=CC=NC=C12 ACS019263 [1,1,0,0,0,0|2,0,0]=4 179 B12R2.1081 BrC=1C=NC=C2C=CC=NC12 ACS019269 [1,1,0,0,0,0|2,0,0]=4 180 B12R2.1081 C1(=NC=CC2=CC=CC=C12)N ACS019149 [1,1,0,0,0,0|1,0,0]=3 181 B12R2.1081 C1(=NC=CC2=CC=NC=C12)N ACS019257 [1,1,0,0,0,0|2,0,0]=4 182 B12R2.1081 C1(NC=CC2=CC=NC=C12)=O ACS019256 [1,1,0,0,0,0|2,0,0]=4 183 B12R2.1081 C1(NN=CC2=CC=CC=C12)=O ACS019253 [1,1,0,0,0,0|2,0,0]=4 184 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 ACS019261 [1,1,0,0,0,0|2,0,0]=4 185 B12R2.1081 ClC1=NC=CC2=CC=CC=C12 ACS017359 [1,1,0,0,0,0|1,0,0]=3 186 B12R2.1081 ClC1=NC=CC2=CC=NC=C12 ACS019258 [1,1,0,0,0,0|2,0,0]=4 187 B12R2.1081 ClC1=NC=NC2=CC=CC=C12 ACS011901 [1,1,0,0,0,0|2,0,0]=4 188 B12R2.1081 ClC=1N=CC=C2C=CC=NC12 ACS019614 [1,1,0,0,0,0|2,0,0]=4 189 B12R2.1081 FC1=CC=CC2=C1CC=CO2 ACF015470 [1,1,0,0,0,0|1,0,1]=4 190 B12R2.1081 FC1=CC=CC2=CC=CC=C12 ACF011386 [1,1,0,0,0,0|0,0,0]=2 191 B12R2.1081 FC1=CN=CC2=CC=CC=C12 ACF012396 [1,1,0,0,0,0|1,0,0]=3 192 B12R2.1081 FC1=CN=CC2=CN=CC=C12 ACF019262 [1,1,0,0,0,0|2,0,0]=4 193 B12R2.1081 N1=CC=CC2=CC=NC(=C12)N ACS019009 [1,1,0,0,0,0|2,0,0]=4 194 B12R2.1081 N1=CC=CC=2C(NC=CC12)=O ACS019260 [1,1,0,0,0,0|2,0,0]=4 195 B12R2.1081 N1=CC=CC=2C=CNC(C12)=O ACS019010 [1,1,0,0,0,0|2,0,0]=4 196 B12R2.1081 NC1=CC=CC2=CC=CC=C12 ACS015419 [1,1,0,0,0,0|0,0,0]=2 197 B12R2.1081 NC1=CC=CC2=CC=CC=C12 ACS015420 [1,1,0,0,0,0|0,0,0]=2 198 B12R2.1081 OC1=NC=CC2=CC=CC=C12 ACS015480 [1,1,0,0,0,0|1,0,0]=3 199 B12R2.1081 c1ccc2c(c1)cccc2I ACS017164 [1,1,0,0,0,0|0,0,0]=2 200 B12R2.1 O1C=C(C2=C1C=CC=C2)C=O ACS020900 [0,1,0,0,1,0|1,1,0]=4 201 B12R2.1 S1C2=C(C(=C1)C=O)C=CC=C2 ACS020436 [0,1,0,0,1,0|1,1,0]=4 202 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO ACS011024 [0,1,0,0,1,0|1,1,0]=4 203 B12R2.132 BrC1=CC2=C(SC=C2C)C=C1 ACS017662 [0,1,0,0,1,0|2,0,0]=4 204 B12R2.132 BrC1=CNC2=CC=C(C=C12)Cl ACS011135 [0,1,0,0,1,0|2,0,0]=4 205 B12R2.132 BrC=1C=CC2=C(C(=CO2)C)C1 ACS017686 [0,1,0,0,1,0|2,0,0]=4 206 B12R2.132 ClC1=CC2=C(SC=C2C)C=C1 ACS018376 [0,1,0,0,1,0|2,0,0]=4 207 B12R2.132 FC1=CC2=C(SC=C2C)C=C1 ACF018377 [0,1,0,0,1,0|2,0,0]=4 208 B12R2.132 NC1=CNC2=CC=C(C=C12)Br ACS011236 [0,1,0,0,1,0|2,0,0]=4 209 B12R2.196 BrC1=CC=CC2=C1SC=C2C ACS018379 [0,1,0,0,1,0|2,0,0]=4 210 B12R2.196 BrC1=CC=CC=2C(=COC21)C ACS017678 [0,1,0,0,1,0|2,0,0]=4 211 B12R2.196 FC1=C2C=CN(C2=CC=C1)C ACF022071 [0,1,0,0,1,0|2,0,0]=4 212 B12R2.203 BrC1=CC=CC=2SC=C(C21)C ACS017663 [0,1,0,0,1,0|2,0,0]=4 213 B12R2.203 ClC1=CC=CC=2SC=C(C21)C ACS018378 [0,1,0,0,1,0|2,0,0]=4 214 B12R2.203 FC1=C2C(=CNC2=CC=C1)C ACF022074 [0,1,0,0,1,0|2,0,0]=4 215 B12R2.612 BrC1=CC2=C(C(=CO2)C)C=C1 ACS017685 [0,1,0,0,1,0|2,0,0]=4 216 B12R2.612 BrC=1C=CC2=C(SC=C2C)C1 ACS017656 [0,1,0,0,1,0|2,0,0]=4 217 B12R2.612 ClC=1C=CC2=C(SC=C2C)C1 ACS018375 [0,1,0,0,1,0|2,0,0]=4 218 B12R2.2028 BrC1=CN(C2=CC=CC=C12)C ACS017365 [0,1,0,0,1,0|2,0,0]=4 219 B12R2.2028 C1(C=2C(C(=O)O1)=CC=CC2)=O ACS015508 [0,1,0,0,1,0|1,1,0]=4 220 B12R2.2028 C1(NC(C2=CC=CC=C12)=O)=O ACS015456 [0,1,0,0,1,0|1,1,0]=4 221 B12R2.2028 C1(NC(C2=CC=CC=C12)=O)=O ACS015457 [0,1,0,0,1,0|1,1,0]=4 222 B12R2.32 CSC=1C=C2C=CC=CN2C1 ACS019011 [0,1,0,0,1,0|1,0,0]=3 223 B12R2.202 FC1=C2C=C(NC2=CC=C1)C ACF022035 [0,1,0,0,1,0|2,0,0]=4 224 B12R2.606 BrC=1C=CC2=C(C=C(O2)C)C1 ACS017677 [0,1,0,0,1,0|2,0,0]=4 225 B12R2.606 FC1=CC=C2C=C(NC2=C1)C ACF016928 [0,1,0,0,1,0|2,0,0]=4 226 B12R2.606 FC=1C=C2C=C(NC2=CC1)C ACF010282 [0,1,0,0,1,0|2,0,0]=4 227 B12R2.44 C(#N)C1=CC=C2C=CNC2=C1 ACS011020 [0,1,0,0,1,0|2,0,0]=4 228 B12R2.44 C(#N)C=1C=C2C=CNC2=CC1 ACS015448 [0,1,0,0,1,0|2,0,0]=4 229 B12R2.44 COC1=CC2=C(C=CO2)C=C1 ACS019323 [0,1,0,0,1,0|1,1,0]=4 230 B12R2.44 COC1=CC=C2C=CNC2=C1 ACS010214 [0,1,0,0,1,0|1,1,0]=4 231 B12R2.44 COC=1C=CC2=C(SC=C2)C1 ACS019318 [0,1,0,0,1,0|1,1,0]=4 232 B12R2.44 O1C=CC2=C1C=C(C=C2)C#N ACS017477 [0,1,0,0,1,0|2,0,0]=4 233 B12R2.44 O1C=CC2=C1C=C(C=C2)C=O ACS017468 [0,1,0,0,1,0|1,1,0]=4 234 B12R2.44 O1C=CC2=C1C=CC(=C2)C=O ACS010991 [0,1,0,0,1,0|1,1,0]=4 235 B12R2.44 S1C2=C(C=C1)C=CC(=C2)C=O ACS017652 [0,1,0,0,1,0|1,1,0]=4 236 B12R2.82 BrC1=C(C2=C(C=CO2)C=C1)Cl ACS017670 [0,1,0,0,1,0|2,0,0]=4 237 B12R2.82 BrC1=C(C2=C(C=CO2)C=C1)F ACF017673 [0,1,0,0,1,0|2,0,0]=4 238 B12R2.82 BrC1=C(C2=C(SC=C2)C=C1)F ACF017660 [0,1,0,0,1,0|2,0,0]=4 239 B12R2.82 BrC1=C(C=CC2=C1SC=C2)F ACF017658 [0,1,0,0,1,0|2,0,0]=4 240 B12R2.82 BrC1=C(C=CC=2C=COC21)F ACF017472 [0,1,0,0,1,0|2,0,0]=4 241 B12R2.82 BrC1=CC=C2C=CNC2=C1F ACF022115 [0,1,0,0,1,0|2,0,0]=4 242 B12R2.82 BrC=1C(=C2C=CNC2=CC1)F ACF021371 [0,1,0,0,1,0|2,0,0]=4 243 B12R2.82 BrC=1C=CC2=C(SC=C2)C1F ACF017657 [0,1,0,0,1,0|2,0,0]=4 244 B12R2.82 FC1=C2C=CNC2=CC=C1F ACF010666 [0,1,0,0,1,0|2,0,0]=4 245 B12R2.82 FC1=CC=C2C=CNC2=C1C ACF011447 [0,1,0,0,1,0|2,0,0]=4 246 B12R2.82 FC=1C=CC2=C(SC=C2)C1F ACF017659 [0,1,0,0,1,0|2,0,0]=4 247 B12R2.100 BrC1=C(C=C2C=CNC2=C1)F ACF022790 [0,1,0,0,1,0|2,0,0]=4 248 B12R2.100 BrC=1C=C2C=CNC2=CC1F ACF023086 [0,1,0,0,1,0|2,0,0]=4 249 B12R2.100 ClC1=C(C=C2C=CNC2=C1)F ACF021090 [0,1,0,0,1,0|2,0,0]=4 250 B12R2.100 ClC=1C=C2C=CNC2=CC1F ACF022065 [0,1,0,0,1,0|2,0,0]=4 251 B12R2.100 FC1=C(C=C2C=CNC2=C1)C ACF022132 [0,1,0,0,1,0|2,0,0]=4 252 B12R2.100 FC1=C(C=C2C=CNC2=C1)N ACF022083 [0,1,0,0,1,0|2,0,0]=4 253 B12R2.100 FC1=C(C=C2C=CNC2=C1)O ACF022125 [0,1,0,0,1,0|1,1,0]=4 254 B12R2.100 FC=1C=C2C=CNC2=CC1F ACF022034 [0,1,0,0,1,0|2,0,0]=4 255 B12R2.246 BrC1=C2C=CNC2=CC(=C1)F ACF020430 [0,1,0,0,1,0|2,0,0]=4 256 B12R2.246 BrC1=CC(=C2C=CNC2=C1)F ACF022117 [0,1,0,0,1,0|2,0,0]=4 257 B12R2.246 BrC1=CC(=CC=2C=COC21)C ACS017684 [0,1,0,0,1,0|2,0,0]=4 258 B12R2.246 BrC1=CC(=CC=2C=COC21)Cl ACS017473 [0,1,0,0,1,0|2,0,0]=4 259 B12R2.246 BrC1=CC(=CC=2C=COC21)F ACF017683 [0,1,0,0,1,0|2,0,0]=4 260 B12R2.246 BrC1=CC(=CC=2C=COC21)O ACS020727 [0,1,0,0,1,0|1,1,0]=4 261 B12R2.246 BrC=1C=C(C2=C(C=CO2)C1)Br ACS017481 [0,1,0,0,1,0|2,0,0]=4 262 B12R2.246 BrC=1C=C(C2=C(C=CO2)C1)C ACS017674 [0,1,0,0,1,0|2,0,0]=4 263 B12R2.246 BrC=1C=C(C2=C(C=CO2)C1)Cl ACS017672 [0,1,0,0,1,0|2,0,0]=4 264 B12R2.246 BrC=1C=C(C2=C(C=CO2)C1)F ACF017471 [0,1,0,0,1,0|2,0,0]=4 265 B12R2.246 BrC=1C=C(C2=C(SC=C2)C1)Cl ACS017661 [0,1,0,0,1,0|2,0,0]=4 266 B12R2.246 BrC=1C=C(C2=C(SC=C2)C1)F ACF017466 [0,1,0,0,1,0|2,0,0]=4 267 B12R2.246 BrC=1C=C2C=CNC2=C(C1)F ACF023342 [0,1,0,0,1,0|2,0,0]=4 268 B12R2.246 ClC1=C2C=CNC2=CC(=C1)F ACF022146 [0,1,0,0,1,0|2,0,0]=4 269 B12R2.246 ClC1=CC(=C2C=CNC2=C1)F ACF022147 [0,1,0,0,1,0|2,0,0]=4 270 B12R2.246 ClC1=CC(=CC2=C1C=CO2)Cl ACS020271 [0,1,0,0,1,0|2,0,0]=4 271 B12R2.246 ClC=1C=C(C2=C(C=CO2)C1)Cl ACS017671 [0,1,0,0,1,0|2,0,0]=4 272 B12R2.246 ClC=1C=C(C=C2C=CNC12)F ACF022130 [0,1,0,0,1,0|2,0,0]=4 273 B12R2.246 FC1=C2C=CNC2=CC(=C1)F ACF011015 [0,1,0,0,1,0|2,0,0]=4 274 B12R2.246 FC1=C2C=CNC2=CC(=C1)N ACF022111 [0,1,0,0,1,0|2,0,0]=4 275 B12R2.246 FC1=CC(=C2C=CNC2=C1)I ACF022149 [0,1,0,0,1,0|2,0,0]=4 276 B12R2.246 FC=1C=C(C=2C=CNC2C1)N ACF022110 [0,1,0,0,1,0|2,0,0]=4 277 B12R2.246 FC=1C=C(C=2C=CNC2C1)O ACF022148 [0,1,0,0,1,0|2,0,0]=4 278 B12R2.246 FC=1C=C(C=C2C=CNC12)C ACF022087 [0,1,0,0,1,0|2,0,0]=4 279 B12R2.246 FC=1C=C(C=C2C=CNC12)N ACF023328 [0,1,0,0,1,0|2,0,0]=4 280 B12R2.246 FC=1C=C2C=CNC2=C(C1)F ACF010667 [0,1,0,0,1,0|2,0,0]=4 281 B12R2.246 FC=1C=C2C=CNC2=C(C1)N ACF022151 [0,1,0,0,1,0|2,0,0]=4 282 B14R2.92 BrC=1C(=CC=C2C=CN=CC12)OC ACS020732 [0,2,0,0,0,0|1,1,0]=4 283 B14R2.92 FC1=C2C=CC=NC2=CC=C1CO ACF023316 [0,2,0,0,0,0|1,1,0]=4 284 B14R2.8038 BrC=1C(=C2C=CN=C(C2=CC1)Cl)F ACF023317 [0,2,0,0,0,0|2,0,0]=4 285 B14R2.8188 BrC=1C(=C2C=CC=NC2=CC1F)F ACF021032 [0,2,0,0,0,0|2,0,0]=4 286 B14R2.134 OC1=CC=C2C=CC(=CC2=C1)C#N ACS017383 [0,2,0,0,0,0|0,1,0]=3 287 B14R2.781 C(C)(=O)C1=CC2=CC=CC=C2C=C1 ACS015405 [0,2,0,0,0,0|0,1,0]=3 288 B14R2.781 C(C)(=O)C=1C=C2C=CC=NC2=CC1 ACS023886 [0,2,0,0,0,0|1,1,0]=4 289 B14R2.781 C1=C(C=CC2=CC=CC=C12)B(O)O ACS010925 [0,2,0,0,0,0|0,1,0]=3 290 B14R2.781 C1=NC=CC2=CC(=CC=C12)B(O)O ACS019686 [0,2,0,0,0,0|1,1,0]=4 291 B14R2.781 C1=NC=CC2=CC=C(C=C12)B(O)O ACS019795 [0,2,0,0,0,0|1,1,0]=4 292 B14R2.781 N1=CC=CC2=CC(=CC=C12)C(=O)O ACS023726 [0,2,0,0,0,0|1,1,0]=4 293 B14R2.781 [N+](=O)([O-])C1=CC=C2C=CN=CC2=C1 ACS018638 [0,2,0,0,0,0|1,1,0]=4 294 B14R2.1019 ClC=1C=C(C=C2C=CC=NC12)OC ACS012156 [0,2,0,0,0,0|1,1,0]=4 295 B14R2.1128 FC1=C(C=C2C=CC=NC2=C1)CO ACF023315 [0,2,0,0,0,0|1,1,0]=4 296 B14R2.2332 BrC=1C=C2C=CC(=NC2=CC1)OC ACS019467 [0,2,0,0,0,0|1,1,0]=4 297 B14R2.2332 ClC1=NC2=CC=C(C=C2C=C1)C#N ACS017362 [0,2,0,0,0,0|2,0,0]=4 298 B14R2.2332 FC=1C=C2C=CC(=NC2=CC1)C=O ACF022676 [0,2,0,0,0,0|1,1,0]=4 299 B14R2.29365 ClC1=NC(=CC2=CC(=CC=C12)F)Cl ACF021774 [0,2,0,0,0,0|2,0,0]=4 300 B14R2.29365 SC1=CC=C2C(=CC(OC2=C1)=O)C ACS020071 [0,2,0,0,0,0|1,0,0]=3 301 B14R2.8045 ClC1=NC(=CC2=C(C=CC=C12)F)Cl ACF021776 [0,2,0,0,0,0|2,0,0]=4 302 B14R2.8235 ClC1=NC(=CC2=CC=C(C=C12)F)Cl ACF021775 [0,2,0,0,0,0|2,0,0]=4 303 B14R2.8751 BrC1=CNC(C2=CC(=CC=C12)F)=O ACF021905 [0,2,0,0,0,0|2,0,0]=4 304 B14R2.11684 BrC1=NC2=C(C=CC=C2C=C1)OC ACS020439 [0,2,0,0,0,0|2,0,0]=4 305 B14R2.28480 CC1=CC(=NC2=CC=CC(=C12)C)O ACS023998 [0,2,0,0,0,0|1,1,0]=4 306 B12R2.315 O1C=CC=2C1=CC=CC2C=O ACS017490 [0,0,1,1,0,0|1,1,0]=4 307 B12R2.315 S1C2=C(C=C1)C(=CC=C2)C=O ACS018374 [0,0,1,1,0,0|1,0,0]=3 308 B10R2.7 C1C=CC2=CC=CC=C12 ACS011977 [1,0,0,0,1,0|0,0,1]=3 309 B10R2.7 C=1C=CN2C=CC=CC12 ACS017561 [1,0,0,0,1,0|1,0,0]=3 310 B10R2.7 N1=CNC2=C1C=CC=C2 ACS015425 [1,0,0,0,1,0|2,0,0]=4 311 B10R2.7 N1C=CC2=CC=CC=C12 ACS015484 [1,0,0,0,1,0|1,0,0]=3 312 B10R2.7 N1C=CC2=CN=CC=C12 ACS011063 [1,0,0,0,1,0|2,0,0]=4 313 B10R2.7 N1C=CC=2C1=NC=CC2 ACS015502 [1,0,0,0,1,0|2,0,0]=4 314 B10R2.7 S1C2=C(C=C1)C=CC=C2 ACS011575 [1,0,0,0,1,0|1,0,0]=3 315 B10R2.7 S1C=CC=2C1=CN=CC2 ACS017726 [1,0,0,0,1,0|2,0,0]=4 316 B10R2.7 S1C=CC=2C1=NC=CC2 ACS017717 [1,0,0,0,1,0|2,0,0]=4 317 B10R2.7 S1C=CC=2C=NC=CC21 ACS017731 [1,0,0,0,1,0|2,0,0]=4