0 B12R2.612 BrC1=NNC2=CC(=CC=C12)F ACF018391 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 BrC=1C=C2COC(=O)C2=CC1 ACS011975 [0,0,0,0,0,0|1,1,1]=3 2 B12R2.612 ClC1=CC2=C(C(=NO2)O)C=C1 ACS011428 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 ClC=1C=C2CCC(C2=CC1)=O ACS010300 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 FC1=CC=C2C(=NNC2=C1)C ACF017514 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 FC1=CC=C2C(=NNC2=C1)I ACF018392 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 FC1=CC=C2C(=NNC2=C1)N ACF022365 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 FC=1C=C2CCC(C2=CC1)=O ACF010326 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.612 OC=1C=C2CCC(C2=CC1)=O ACS011173 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 C1(NCC2=CC=CC=C12)=O ACS017554 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.1 C1(OCC2=C1C=CC=C2)=O ACS015427 [1,0,0,0,0,0|1,0,1]=3 11 B11R2.1 O1N=C(C2=C1C=CC=C2)O ACS018863 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.36 BrC=1C=C2CCCC2=CC1 ACS020384 [1,0,0,0,0,0|2,1,0]=4 13 B11R2.36 BrC=1C=C2CNCC2=CC1 ACS011526 [1,0,0,0,0,0|2,1,0]=4 14 B11R2.36 BrC=1C=C2CNCC2=CC1 ACS023874 [1,0,0,0,0,0|2,1,0]=4 15 B11R2.36 BrC=1C=CC2=C(CCO2)C1 ACS010997 [1,0,0,0,0,0|2,1,0]=4 16 B11R2.36 C1NCC2=CC(=CC=C12)N ACS011882 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.36 C1NCC2=CC(=CC=C12)N ACS019140 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.36 CC=1C=C2CNCC2=CC1 ACS019576 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.36 ClC=1C=C2CCNC2=CC1 ACS010271 [1,0,0,0,0,0|2,1,0]=4 20 B11R2.36 ClC=1C=C2CNCC2=CC1 ACS017363 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.36 FC1=CC=C2C=CNC2=C1 ACF012557 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.36 FC1=CC=C2C=NNC2=C1 ACF021083 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 FC1=CC=C2CCNC2=C1 ACF020295 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 FC=1C=C2C(=NC1)CNC2 ACF022268 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 FC=1C=C2C=CNC2=CC1 ACF016925 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.36 FC=1C=C2C=NNC2=CC1 ACF021081 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.36 FC=1C=CC2=C(C=CO2)C1 ACF017476 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.36 FC=1C=CC2=C(CCO2)C1 ACF022675 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.36 FC=1C=CC2=C(SC=C2)C1 ACF020488 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.36 IC=1C=CC2=C(CCO2)C1 ACS019166 [1,0,0,0,0,0|2,1,0]=4 31 B11R2.36 O1CCC2=C1C=CC(=C2)N ACS019165 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.5187 FC=1C=C2C(C(=O)OC2=O)=CC1 ACF010248 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.22 BrC1=CC=C(C(=O)OC)C=C1 ACS010562 [0,0,1,0,0,0|1,1,1]=4 34 B11R1.22 CC1=CC=C(C(=O)OC)C=C1 ACS012872 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.22 FC1=CC=C(C(=O)OC)C=C1 ACF012848 [0,0,1,0,0,0|1,0,1]=3 36 B11R1.22 FC=1C=CC(=NC1)C(=O)OC ACF021752 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.22 NC1=CC=C(C(=O)OC)C=C1 ACS012750 [0,0,1,0,0,0|2,0,1]=4 38 B11R1.22 NCC(O)C1=CC=C(C=C1)F ACF024466 [0,0,1,0,0,0|3,0,0]=4 39 B11R1.22 OC1=CC=C(C(=O)OC)C=C1 ACS012858 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.24 FC=1C=C(CN=C=S)C=CC1 ACF014137 [0,0,1,0,0,0|2,1,0]=4 41 B11R1.37 C(#N)C1=C(CBr)C=C(C=C1)F ACF013453 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.37 FC=1C=C(C(=NC1)OC)CO ACF023235 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.37 FC=1C=CC(=C(CBr)C1)OC ACF013468 [0,0,1,0,0,0|3,0,0]=4 44 B11R1.37 FC=1C=CC(=C(CO)C1)OC ACF013709 [0,0,1,0,0,0|2,0,0]=3 45 B11R1.166 BrC1=C(C(=O)O)C=CC(=C1)F ACF013085 [0,0,1,0,0,0|2,0,1]=4 46 B11R1.166 BrC1=CC(=C(C(=O)O)C=C1)C ACS013104 [0,0,1,0,0,0|1,1,1]=4 47 B11R1.166 ClC1=C(C(=O)O)C=CC(=C1)F ACF012449 [0,0,1,0,0,0|2,0,1]=4 48 B11R1.166 ClC1=C(C=CC(=C1)C)B(O)O ACS010228 [0,0,1,0,0,0|2,0,0]=3 49 B11R1.166 ClC1=C(C=CC(=C1)F)B(O)O ACF010746 [0,0,1,0,0,0|1,0,0]=2 50 B11R1.166 ClC1=C(C=CC(=C1)O)B(O)O ACS019723 [0,0,1,0,0,0|2,0,0]=3 51 B11R1.166 ClC1=CC(=C(C(=O)O)C=C1)C ACS013136 [0,0,1,0,0,0|1,1,1]=4 52 B11R1.166 ClC1=CC(=C(C=C1)B(O)O)F ACF010739 [0,0,1,0,0,0|1,1,0]=3 53 B11R1.166 ClC1=CC(=C(C=C1)B(O)O)O ACS018572 [0,0,1,0,0,0|1,1,0]=3 54 B11R1.166 ClC1=CC=C(C(=N1)F)B(O)O ACF012270 [0,0,1,0,0,0|2,1,0]=4 55 B11R1.166 ClC1=NC(=CC=C1B(O)O)Cl ACS010740 [0,0,1,0,0,0|2,1,0]=4 56 B11R1.166 FC1=C(C(=O)O)C=CC(=C1)F ACF012437 [0,0,1,0,0,0|2,0,1]=4 57 B11R1.166 FC1=C(C=CC(=C1)C)B(O)O ACF020993 [0,0,1,0,0,0|2,0,0]=3 58 B11R1.166 FC1=C(C=CC(=C1)O)B(O)O ACF018186 [0,0,1,0,0,0|2,0,0]=3 59 B11R1.166 FC1=CC(=C(C(=O)Cl)C=C1)C ACF013402 [0,0,1,0,0,0|2,0,1]=4 60 B11R1.166 FC1=CC(=C(C(=O)O)C=C1)C ACF010107 [0,0,1,0,0,0|1,0,1]=3 61 B11R1.166 FC1=CC(=C(C(=O)O)C=C1)I ACF013192 [0,0,1,0,0,0|2,0,1]=4 62 B11R1.166 FC1=CC(=C(C(=O)O)C=C1)O ACF013190 [0,0,1,0,0,0|2,0,1]=4 63 B11R1.166 FC1=CC(=C(C=C1)B(O)O)O ACF018181 [0,0,1,0,0,0|1,0,0]=2 64 B11R1.166 FC1=CC(=C(C=C1)C(C)=O)C ACF014568 [0,0,1,0,0,0|2,0,1]=4 65 B11R1.166 FC1=NC=C(C(=C1)C)B(O)O ACF011826 [0,0,1,0,0,0|1,0,0]=2 66 B11R1.166 FC=1C=CC(=C(C)C1)[N+](=O)[O-] ACF012484 [0,0,1,0,0,0|1,0,2]=4 67 B11R1.166 NC1=C(C(=O)O)C=CC(=C1)F ACF012442 [0,0,1,0,0,0|2,0,1]=4 68 B11R1.166 NC1=CC(=C(C=N1)B(O)O)F ACF023248 [0,0,1,0,0,0|3,0,0]=4 69 B11R1.166 OC1=C(C=CC(=C1)C)B(O)O ACS018183 [0,0,1,0,0,0|2,0,0]=3 70 B11R1.166 OC1=CC(=C(C=C1)B(O)O)C ACS012274 [0,0,1,0,0,0|1,0,0]=2 71 B13R2.3683 FC=1C=C2C=CC(=CC2=CC1)O ACF017274 [0,0,0,0,0,1|2,0,1]=4 72 B13R2.3683 FC=1C=C2CCC(NC2=CC1)=O ACF017388 [0,0,0,0,0,1|2,0,1]=4 73 B10R1.1 FC1=CC=C(CNC)C=C1 ACF015520 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.13 C1(=CC=C(C=C1)B(O)O)C ACS010240 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.13 CC(C)c1ccc(cc1)F ACF016268 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.13 ClC1=CC=C(C=C1)B(O)O ACS010230 [1,0,1,0,0,0|0,1,0]=3 77 B10R1.13 FC1=CC=C(C(=O)O)C=C1 ACF013187 [1,0,1,0,0,0|1,0,1]=4 78 B10R1.13 FC1=CC=C(C=C1)B(O)O ACF010236 [1,0,1,0,0,0|0,0,0]=2 79 B10R1.13 FC1=CC=C(C=C1)C(C)=O ACF014557 [1,0,1,0,0,0|1,0,1]=4 80 B10R1.13 FC1=CC=C(C=C1)C(C)Br ACF013491 [1,0,1,0,0,0|2,0,0]=4 81 B10R1.13 FC1=CC=C(C=C1)C(C)O ACF013735 [1,0,1,0,0,0|1,0,0]=3 82 B10R1.13 FC1=NC=C(C=C1)B(O)O ACF011090 [1,0,1,0,0,0|1,0,0]=3 83 B10R1.13 NC1=CC=C(C=C1)B(O)O ACS012268 [1,0,1,0,0,0|1,0,0]=3 84 B10R1.13 NC1=CC=C(C=C1)B(O)O ACS019700 [1,0,1,0,0,0|1,0,0]=3 85 B10R1.13 NC1=CC=C(C=N1)B(O)O ACS012130 [1,0,1,0,0,0|2,0,0]=4 86 B10R1.13 SC1=CC=C(C=C1)B(O)O ACS010239 [1,0,1,0,0,0|1,0,0]=3 87 B10R1.15 C(C1=CC=CC=C1)(=O)OC ACS012777 [1,0,1,0,0,0|1,0,1]=4 88 B10R1.10 CC=1C=C(C=CC1)CCO ACS013751 [1,0,1,0,0,0|2,0,0]=4 89 B10R1.10 ClC=1C=C(C=CC1)CCO ACS013738 [1,0,1,0,0,0|1,1,0]=4 90 B10R1.10 FC=1C=C(C=CC1)CC#N ACF010607 [1,0,1,0,0,0|2,0,0]=4 91 B10R1.10 FC=1C=C(C=CC1)CCBr ACF013492 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.10 FC=1C=C(C=CC1)CNN ACF021005 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.10 FC=1C=C(C=CC1)CNN ACF021006 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.10 FC=1C=C(CCN)C=CC1 ACF014039 [1,0,1,0,0,0|2,0,0]=4 95 B10R1.10 c1cc(cc(c1)F)CCO ACF016876 [1,0,1,0,0,0|1,0,0]=3 96 B10R1.20 C=1(C(=CC=CC1)CO)CO ACS016794 [1,0,1,0,0,0|1,0,0]=3 97 B10R1.20 OCC1=NC=CC=C1CO ACS015198 [1,0,1,0,0,0|2,0,0]=4 98 B10R1.25 BrC1=CC(=C(CO)C=C1)C ACS016802 [1,0,1,0,0,0|1,1,0]=4 99 B10R1.25 FC1=C(CO)C=CC(=C1)F ACF013691 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.25 FC1=CC(=C(C#N)C=C1)C ACF010177 [1,0,1,0,0,0|2,0,0]=4 101 B10R1.25 FC1=CC(=C(C=O)C=C1)C ACF010146 [1,0,1,0,0,0|1,0,1]=4 102 B10R1.25 FC1=CC(=C(C=O)C=C1)O ACF011148 [1,0,1,0,0,0|1,0,1]=4 103 B10R1.25 FC1=CC(=C(CBr)C=C1)C ACF016831 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.25 FC1=CC(=C(CN)C=C1)C ACF013852 [1,0,1,0,0,0|2,0,0]=4 105 B10R1.25 FC=1C=CC(=C(C1)O)OC ACF014434 [1,0,1,0,0,0|2,0,0]=4 106 B10R1.30 BrC1=C(CBr)C=C(C=C1)F ACF010250 [1,0,1,0,0,0|2,0,0]=4 107 B10R1.30 BrC1=C(CO)C=C(C=C1)Cl ACS013674 [1,0,1,0,0,0|1,1,0]=4 108 B10R1.30 BrC1=C(CO)C=C(C=C1)F ACF010252 [1,0,1,0,0,0|1,0,0]=3 109 B10R1.30 BrC1=C(CO)C=C(C=C1)I ACS016801 [1,0,1,0,0,0|1,1,0]=4 110 B10R1.30 BrC=1C=CC(=C(CO)C1)Cl ACS016796 [1,0,1,0,0,0|1,1,0]=4 111 B10R1.30 ClC1=C(CN)C=C(C=C1)F ACF016893 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.30 FC1=C(CBr)C=C(C=C1)F ACF013458 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.30 FC1=C(CN)C=C(C=C1)F ACF016896 [1,0,1,0,0,0|2,0,0]=4 114 B10R1.30 FC1=C(CO)C=C(C=C1)F ACF013692 [1,0,1,0,0,0|1,0,0]=3 115 B10R1.30 FC1=CC(=C(C=C1)O)OC ACF014433 [1,0,1,0,0,0|2,0,0]=4 116 B10R1.30 FC=1C=CC(=C(C=O)C1)O ACF010142 [1,0,1,0,0,0|0,0,2]=4 117 B10R1.30 FC=1C=CC(=C(CBr)C1)C ACF016835 [1,0,1,0,0,0|2,0,0]=4 118 B10R1.30 FC=1C=CC(=C(CCl)C1)C ACF016834 [1,0,1,0,0,0|2,0,0]=4 119 B10R1.30 NC1=C(CO)C=C(C=C1)Cl ACS013668 [1,0,1,0,0,0|1,1,0]=4 120 B10R1.30 NC=1C=CC(=C(CO)C1)Cl ACS013669 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.30 NC=1C=CC(=C(CO)C1)F ACF013670 [1,0,1,0,0,0|2,0,0]=4 122 B10R1.61 C=1(C(=CC=CC1)C(=O)O)C ACS011698 [1,0,1,0,0,0|1,0,1]=4 123 B10R1.61 CC1=C(C=NC=C1)B(O)O ACS020781 [1,0,1,0,0,0|1,0,0]=3 124 B10R1.61 ClC1=C(C=NC=C1)B(O)O ACS019549 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.61 ClC1=NC=CC=C1B(O)O ACS010748 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.61 FC=1C=NC=CC1B(O)O ACF021809 [1,0,1,0,0,0|2,0,0]=4 127 B10R1.61 IC1=C(C=CC=C1)B(O)O ACS020106 [1,0,1,0,0,0|1,0,0]=3 128 B10R1.61 OC1=NC=CC=C1B(O)O ACS019489 [1,0,1,0,0,0|2,0,0]=4 129 B10R2.7 C1C=CC2=CC=CC=C12 ACS011977 [2,0,0,0,0,0|2,0,0]=4 130 B10R2.7 C1NCC2=CC=CC=C12 ACS019153 [2,0,0,0,0,0|2,0,0]=4 131 B10R2.7 N1CCC2=CC=CC=C12 ACS011043 [2,0,0,0,0,0|2,0,0]=4 132 B12R1.16 FC1=CC=C(C(=O)OCC)C=C1 ACF012727 [0,1,1,0,0,0|1,0,1]=4 133 B12R1.367 FC=1C=C(C(=O)OC)C=CC1F ACF012839 [0,1,1,0,0,0|1,0,1]=4 134 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)F ACF016429 [0,1,1,0,0,0|1,0,1]=4 135 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)F ACF012291 [0,1,1,0,0,0|1,0,1]=4 136 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)C ACF012853 [0,1,1,0,0,0|1,0,1]=4 137 B12R1.1703 NC1=C(C(=O)OC)C=CC(=C1)F ACF016394 [0,1,1,0,0,0|1,0,1]=4 138 B12R1.226 c1cc(cc(c1)F)CCC(=O)O ACF013015 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.57 B(c1ccc(cc1CO)F)(O)O ACF012349 [0,1,1,0,0,0|0,0,0]=2 140 B12R1.57 C(#N)C1=C(C=CC(=C1)F)B(O)O ACF018000 [0,1,1,0,0,0|1,0,1]=4 141 B12R1.57 FC1=CC(=C(C=C1)B(O)O)C=O ACF012348 [0,1,1,0,0,0|0,0,2]=4 142 B12R1.57 FC1=CC(=C(C=C1)B(O)O)OC ACF018202 [0,1,1,0,0,0|2,0,0]=4 143 B12R1.57 FC=1C=CC(=C(CO)C1)[N+](=O)[O-] ACF013711 [0,1,1,0,0,0|1,0,1]=4 144 B12R1.232 ClC=1C(=CC(=C(C1)B(O)O)F)C ACF019094 [0,1,1,0,0,0|2,0,0]=4 145 B12R1.232 FC1=CC(=C(C=C1F)B(O)O)O ACF018192 [0,1,1,0,0,0|1,0,0]=3 146 B12R1.452 ClC1=C(C=CC(=C1)C#N)B(O)O ACS018587 [0,1,1,0,0,0|2,0,0]=4 147 B12R1.452 ClC1=C(C=CC(=C1)OC)B(O)O ACS018586 [0,1,1,0,0,0|2,0,0]=4 148 B12R1.452 FC1=C(C=CC(=C1)OC)B(O)O ACF018194 [0,1,1,0,0,0|2,0,0]=4 149 B12R1.893 ClC1=C(C(=C(C=C1)B(O)O)F)F ACF018206 [0,1,1,0,0,0|1,1,0]=4 150 B12R1.893 ClC1=C(C=CC(=C1Cl)Cl)B(O)O ACS019726 [0,1,1,0,0,0|1,1,0]=4 151 B12R1.893 FC1=C(C=CC(=C1F)C)B(O)O ACF018205 [0,1,1,0,0,0|2,0,0]=4 152 B12R1.893 FC1=C(C=CC(=C1F)F)B(O)O ACF017862 [0,1,1,0,0,0|1,0,0]=3 153 B12R1.893 FC1=C(C=CC(=C1F)O)B(O)O ACF011244 [0,1,1,0,0,0|2,0,0]=4 154 B12R1.1000 BrC1=C(C(=O)O)C(=CC(=C1)F)C ACF010116 [0,1,1,0,0,0|1,0,1]=4 155 B12R1.1000 BrC1=CC(=C(C(=C1)F)B(O)O)F ACF019736 [0,1,1,0,0,0|1,1,0]=4 156 B12R1.1000 ClC1=C(C(=CC(=C1)Cl)Cl)B(O)O ACS017861 [0,1,1,0,0,0|1,1,0]=4 157 B12R1.1000 ClC1=C(C(=CC(=C1)Cl)F)B(O)O ACF018204 [0,1,1,0,0,0|1,1,0]=4 158 B12R1.1000 ClC1=CC(=C(C(=C1)F)B(O)O)F ACF019732 [0,1,1,0,0,0|1,1,0]=4 159 B12R1.1000 FC1=C(C(=CC(=C1)F)F)B(O)O ACF019711 [0,1,1,0,0,0|1,0,0]=3 160 B12R2.132 NC=1C=CC2=C(B(OC2)O)C1 ACS020335 [1,1,0,0,0,0|0,0,0]=2 161 B12R2.2028 OI1OC(C2=C1C=CC=C2)=O ACS011601 [1,1,0,0,0,0|1,0,1]=4 162 B12R2.606 FC=1C=C2CC(NC2=CC1)=O ACF010211 [1,1,0,0,0,0|2,0,0]=4 163 B14R2.28480 FC1=CC(=CC2=C1C(CCO2)O)F ACF022612 [0,1,0,0,0,1|2,0,0]=4 164 B14R2.28480 FC1=CC(=CC2=C1[C@@H](CCO2)O)F ACF022614 [0,1,0,0,0,1|2,0,0]=4 165 B14R2.28480 FC1=CC(=CC2=C1[C@H](CCO2)O)F ACF022613 [0,1,0,0,0,1|2,0,0]=4