0 B12R2.612 BrC1=CC2=C(C=C1)C(Br)=CS2 81955 [0,0,0,0,0,0|2,2,0]=4 1 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.612 CC1=CC2=C(C=C1)C(Br)=NN2 P10511 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NN2 C16594 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.612 CC1=CC2=C(C=C1)C(N)=NN2 90926 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N11326 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16521 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16523 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 CC1=CC2=NN=C(O)N2C=C1 W10566 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,0,0,0,0,0|2,1,0]=3 10 B12R2.612 CC1=NSC2=C1C=CC(Br)=C2 E72372 [0,0,0,0,0,0|1,2,0]=3 11 B12R2.612 CC1=NSC2=C1C=CC(N)=C2 E72373 [0,0,0,0,0,0|2,1,0]=3 12 B12R2.612 ClC1=CC2=C(C=C1)[C@@H](Br)CC2 AT21847 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 W17736 [0,0,0,0,0,0|3,1,0]=4 14 B12R2.612 ClC1=CNC2=C1C=CC(Cl)=N2 91251 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.612 ClC1=NC2=C(C=N1)C(I)=NN2 C72567 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.612 FC1=CSC2=C1C=CC(Br)=C2 98454 [0,0,0,0,0,0|2,2,0]=4 17 B12R2.612 NC1=CC2=C(C=C1)C(N)=NN2 C16551 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.612 NC1=CC2=C(C=C1)[C@@H](N)CO2 N14630 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.612 NC1=CC2=C(C=C1)[C@@H](N)CO2 N14631 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.612 NC1=NN=C2C=C(Cl)N=CN12 57492 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.612 NC1=NNC2=C1C=CC(I)=C2 W13470 [0,0,0,0,0,0|2,1,0]=3 22 B12R2.612 NC1=NNC2=CC(F)=CN=C21 51567 [0,0,0,0,0,0|3,1,0]=4 23 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 N11256 [0,0,0,0,0,0|2,1,1]=4 24 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [0,0,0,0,0,0|1,1,1]=3 27 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,0,0,0,0,0|2,1,1]=4 28 B12R2.612 OC1=NNC2=C1C=CC(Cl)=C2 S10302 [0,0,0,0,0,0|1,0,0]=1 29 B12R2.612 OC1=NSC2=C1C=CC(Cl)=C2 F51296 [0,0,0,0,0,0|0,1,0]=1 30 B12R2.612 O[C@H]1COC2=C1C=CC(Cl)=C2 AT21520 [0,0,0,0,0,0|1,0,1]=2 31 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 BrC1=NC=C2C=CC=CN21 C72097 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 ClC1=NSC2=C1C=CC=N2 F30332 [1,0,0,0,0,0|2,1,0]=4 35 B11R2.1 IC1=NN=C2C=CC=CN12 D78709 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.1 NC1=NN=C2C=CC=CN12 92122 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.1 NC1=NOC2=NC=CN=C12 26997 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [1,0,0,0,0,0|2,0,1]=4 40 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.1 OC1=CN=C2C=CC=CN12 F18394 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,0,0,0|2,0,0]=3 44 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,0,0,0|1,1,0]=3 45 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [1,0,0,0,0,0|1,1,0]=3 46 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [1,0,0,0,0,0|1,0,1]=3 48 B11R2.36 BrC1=CNC2=CN=NC2=C1 D77950 [1,0,0,0,0,0|2,1,0]=4 49 B11R2.36 BrC1=NC2=C(C=CO2)C=C1 AC2137 [1,0,0,0,0,0|2,1,0]=4 50 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.36 ClC1=CC2=CN=CN2C=C1 W13685 [1,0,0,0,0,0|2,0,0]=3 52 B11R2.36 ClC1=CC2=NC=CN2C=C1 F13942 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.36 ClC1=CN2C=CC=C2C=C1 SC1109 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.36 ClC1=CN=C2N=NNC2=C1 26584 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.36 FC1=CC2=C(C=C1)N=CO2 AC5634 [1,0,0,0,0,0|2,1,0]=4 56 B11R2.36 IC1=CN=C2C=NNC2=C1 91805 [1,0,0,0,0,0|2,1,0]=4 57 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.36 SC1=CC2=C(C=C1)NN=C2 F18088 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.662 BrCC1=COC2=C1C=CC(Br)=C2 21294 [0,1,0,0,0,0|2,1,0]=4 60 B13R2.662 CC1=CC2=C(C=C1)C(CO)=CN2 71545 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.662 CCC1=NNC2=C1C=CC(Br)=C2 72079 [0,1,0,0,0,0|2,1,0]=4 62 B13R2.662 ClCC1=NNC2=C1C=CC(Br)=C2 F18467 [0,1,0,0,0,0|2,1,0]=4 63 B13R2.662 N#CC1=NNC2=C1C=CC(Cl)=C2 C90347 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.662 NC1=CC2=C(C=C1)C(C=O)=NN2 P10507 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.662 O=CC1=COC2=C1C=CC(Br)=C2 93446 [0,1,0,0,0,0|1,1,1]=4 66 B13R2.662 O=CC1=NOC2=C1C=CC(Br)=C2 93320 [0,1,0,0,0,0|0,1,1]=3 67 B13R2.662 O=CC1=NOC2=C1C=CC(Cl)=C2 93318 [0,1,0,0,0,0|0,0,1]=2 68 B13R2.662 OCC1=NOC2=C1C=CC(Br)=C2 93319 [0,1,0,0,0,0|0,1,0]=2 69 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 D78694 [0,1,0,0,0,0|1,0,2]=4 70 B13R2.2130 COC1=CC2=C(C=C1)C(Cl)=NO2 AT10781 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.2130 COC1=CC2=C(C=C1)C(O)=NN2 20043 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.2130 N#CC1=CC2=C(C=C1)C(I)=NN2 54744 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.2130 NCC1=CC2=C(C=C1)C(N)=NN2 P16131 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.5180 CC1=C(I)C2=C(C=C1)C(N)=NN2 55483 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.5180 FC1=C(Br)C=CC2=C1NN=C2I AT24070 [0,1,0,0,0,0|2,1,0]=4 76 B13R2.5180 N[C@H]1COC2=C1C=CC(Cl)=C2Cl N11200 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.5180 N[C@H]1COC2=C1C=CC(Cl)=C2Cl N11244 [0,1,0,0,0,0|2,0,1]=4 78 B13R2.5180 N[C@H]1COC2=C1C=CC(Cl)=C2Cl N11254 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.5180 N[C@H]1COC2=C1C=CC(Cl)=C2F N16627 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.5180 N[C@H]1COC2=C1C=CC(Cl)=C2F N16628 [0,1,0,0,0,0|2,0,1]=4 81 B13R2.5180 N[C@H]1COC2=C1C=CC(Cl)=C2F N16629 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2I 93252 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.5180 O=C1CSC2=C1C=CC(Cl)=C2Cl 93567 [0,1,0,0,0,0|1,1,1]=4 84 B13R2.5180 O[C@H]1CCC2=C1C=CC(Cl)=C2Cl N14442 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.5180 O[C@H]1CSC2=C1C=CC(Cl)=C2Cl 93568 [0,1,0,0,0,0|1,1,1]=4 86 B13R2.5187 CN1N=C(N)C2=C1N=C(Cl)C=C2 27166 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O N13213 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.11634 CC1=C(Br)C=C2C(=C1)NN=C2N 93511 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.11634 CC1=C(Cl)C=C2CCC(=O)C2=C1 F52802 [0,1,0,0,0,0|2,0,1]=4 90 B13R2.11634 CC1=C(Cl)C=C2SN=C(N)C2=C1 50644 [0,1,0,0,0,0|1,1,0]=3 91 B13R2.11634 CC1=C(F)C=C2C(=C1)NN=C2N 90927 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.11634 CC1=C(F)C=C2NN=C(N)C2=C1 AT23572 [0,1,0,0,0,0|2,1,0]=4 93 B13R2.11634 FC1=CC2=C(C=C1F)C(Br)=NN2 I10140 [0,1,0,0,0,0|2,1,0]=4 94 B13R2.11634 N[C@H]1COC2=CC(Cl)=C(F)C=C21 N16636 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.11634 N[C@H]1COC2=CC(Cl)=C(F)C=C21 N16637 [0,1,0,0,0,0|2,0,1]=4 96 B13R2.11634 N[C@H]1COC2=CC(Cl)=C(F)C=C21 N16638 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.11642 BrC1=NNC2=CC(I)=CC(Br)=C21 F17875 [0,1,0,0,0,0|2,1,0]=4 98 B13R2.11642 CC1=C2C(=O)CCC2=CC(Cl)=C1 F52803 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.11642 CC1=CNC2=CC(Cl)=CC(Cl)=C12 F30737 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.11642 CC1=NNC2=CC(Br)=CC(Cl)=C21 88211 [0,1,0,0,0,0|2,1,0]=4 101 B13R2.11642 CC1=NOC2=CC(Br)=CC(O)=C21 93707 [0,1,0,0,0,0|1,1,0]=3 102 B13R2.11642 FC1=C2C(=CC(Br)=C1)NN=C2I C16614 [0,1,0,0,0,0|2,1,0]=4 103 B13R2.11642 FC1=CC(F)=C2C(=C1)NN=C2Br O10957 [0,1,0,0,0,0|2,1,0]=4 104 B13R2.11642 O=C1CCC2=CC(Cl)=CC(Br)=C12 F52758 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.11642 O[C@H]1CCC2=CC(Cl)=CC(Cl)=C21 N13072 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.22 C#C[C@@H](O)C1=CC=C(Cl)C=C1 AC5833 [0,0,1,0,0,0|2,0,1]=4 107 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [0,0,1,0,0,0|2,0,0]=3 109 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [0,0,1,0,0,0|3,0,0]=4 110 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,0,1,0,0,0|2,0,1]=4 111 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,0,1,0,0,0|2,0,1]=4 112 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,0,1,0,0,0|2,0,1]=4 113 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,0,1,0,0,0|1,0,2]=4 114 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,0,1,0,0,0|1,0,1]=3 115 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.24 OCCOC1=CC(Cl)=CN=C1 AT19859 [0,0,1,0,0,0|2,0,1]=4 117 B11R1.37 C=CC1=C(OC)C=C(Br)C=C1 88322 [0,0,1,0,0,0|2,1,0]=4 118 B11R1.37 OCC1=C(CO)C=C(Cl)C=C1 Y11494 [0,0,1,0,0,0|2,0,1]=4 119 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,0,1,0,0,0|1,1,1]=4 120 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,0,1,0,0,0|2,1,0]=4 121 B11R1.166 N=C(N)C1=C(Cl)C=C(Br)C=C1 D86997 [0,0,1,0,0,0|2,1,0]=4 122 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 92721 [0,0,1,0,0,0|2,1,0]=4 123 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 C14169 [0,0,1,0,0,0|2,1,0]=4 124 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 W16867 [0,0,1,0,0,0|3,0,0]=4 126 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,0,1,0,0,0|3,0,0]=4 127 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,0,1,0,0,0|1,2,0]=4 128 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,0,1,0,0,0|1,2,0]=4 129 B11R1.166 OB(O)C1=C(O)C=C(Br)C=C1 D71659 [0,0,1,0,0,0|2,1,0]=4 130 B13R2.3683 BrC1=CC=C2C=C(I)N=NC2=C1 F51337 [0,0,0,0,0,1|2,1,0]=4 131 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CO2 AC6060 [0,0,0,0,0,1|2,0,1]=4 132 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [0,0,0,0,0,1|2,0,1]=4 133 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 W16225 [0,0,0,0,0,1|3,0,0]=4 134 B13R2.3683 CC1=NC=C2C=C(Cl)C=CC2=N1 91919 [0,0,0,0,0,1|2,0,0]=3 135 B13R2.3683 CC1=NC=C2C=C(F)C=CC2=N1 91915 [0,0,0,0,0,1|2,1,0]=4 136 B13R2.3683 CC1=NC=C2C=C(I)C=CC2=N1 91918 [0,0,0,0,0,1|2,1,0]=4 137 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [0,0,0,0,0,1|3,0,0]=4 138 B13R2.3683 NC1=NC=C2C=C(F)C=CC2=N1 AC5166 [0,0,0,0,0,1|2,1,0]=4 139 B13R2.3683 NC1=NN=C2C=C(Br)C=CC2=N1 D78677 [0,0,0,0,0,1|2,1,0]=4 140 B13R2.3683 NC1=NN=C2C=C(Cl)C=CC2=N1 C75546 [0,0,0,0,0,1|2,0,0]=3 141 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 25433 [0,0,0,0,0,1|1,1,1]=4 142 B13R2.3683 O=C1N=CC2=C(C=CC(Cl)=C2)N1 F15803 [0,0,0,0,0,1|1,0,1]=3 143 B13R2.3683 O=C1N=CC2=C(C=CC(F)=C2)N1 F15804 [0,0,0,0,0,1|1,1,1]=4 144 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [0,0,0,0,0,1|2,1,0]=4 145 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [0,0,0,0,0,1|2,0,0]=3 146 B13R2.3683 OC1=NC=C2C=C(Br)C=NC2=N1 C92057 [0,0,0,0,0,1|2,1,0]=4 147 B13R2.5179 BrC1=CC=C2C(=C1)C=CN=C2Br D80052 [0,0,0,0,0,1|2,1,0]=4 148 B13R2.5179 C=C1CCOC2=C1C=CC(Br)=C2 94705 [0,0,0,0,0,1|2,1,0]=4 149 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CO2 C91052 [0,0,0,0,0,1|2,0,1]=4 150 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](O)CCO2 N14459 [0,0,0,0,0,1|2,0,1]=4 151 B13R2.5179 ClC1=CC=C2C(Cl)=CC=[15N]C2=C1 D98227 [0,0,0,0,0,1|3,0,0]=4 152 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 Y10649 [0,0,0,0,0,1|2,0,1]=4 153 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 N13012 [0,0,0,0,0,1|2,0,1]=4 154 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 D79931 [0,0,0,0,0,1|2,0,1]=4 155 B13R2.5179 N[C@H]1COCC2=C1C=CC(Cl)=C2 D79932 [0,0,0,0,0,1|2,0,1]=4 156 B13R2.5179 O=C1C=NNC2=C1C=CC(Br)=C2 C91005 [0,0,0,0,0,1|1,1,1]=4 157 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 Y10680 [0,0,0,0,0,1|2,0,1]=4 158 B13R2.5179 OC1=C2C=CC(Cl)=NC2=NC=N1 F30746 [0,0,0,0,0,1|2,0,0]=3 159 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=N1 81072 [0,0,0,0,0,1|1,1,0]=3 160 B13R2.5179 OC1=C2C=CC(F)=CC2=NC=N1 AC3204 [0,0,0,0,0,1|1,1,0]=3 161 B13R2.5179 OC1=C2N=CC(Br)=CC2=NC=N1 FD7029 [0,0,0,0,0,1|2,1,0]=4 162 B13R2.5179 O[C@H]1CCCC2=C1C=CC(Cl)=C2 N14446 [0,0,0,0,0,1|2,0,1]=4 163 B13R2.5179 O[C@H]1CCOC2=C1C=CC(F)=C2 N14454 [0,0,0,0,0,1|1,1,1]=4 164 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,0,1,0,0,0|1,0,0]=3 165 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,0,1,0,0,0|1,0,0]=3 169 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,0,1,0,0,0|1,0,1]=4 171 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,0,1,0,0,0|1,0,1]=4 173 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,0,1,0,0,0|1,0,1]=4 174 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,0,1,0,0,0|1,0,1]=4 175 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [1,0,1,0,0,0|1,0,1]=4 176 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,0,1,0,0,0|1,0,1]=4 177 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,0,1,0,0,0|0,1,1]=4 178 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [1,0,1,0,0,0|2,0,0]=4 179 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [1,0,1,0,0,0|2,0,0]=4 180 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [1,0,1,0,0,0|1,0,1]=4 181 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [2,0,0,0,0,0|2,0,0]=4 182 B10R2.7 C1=CC2=C(C=CO2)C=N1 D74565 [2,0,0,0,0,0|2,0,0]=4 183 B10R2.7 C1=CC2=C(C=N1)NN=C2 W10136 [2,0,0,0,0,0|2,0,0]=4 184 B10R2.7 C1=CC2=CN=NN2C=C1 31900 [2,0,0,0,0,0|2,0,0]=4 185 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 W10715 [0,1,1,0,0,0|2,0,0]=4 186 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(Cl)C=C1 92967 [0,1,1,0,0,0|1,0,0]=3 187 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(F)C=C1 92968 [0,1,1,0,0,0|1,1,0]=4 188 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 AC2976 [0,1,1,0,0,0|1,0,1]=4 189 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 89818 [0,1,1,0,0,0|1,0,1]=4 190 B12R1.1703 CC1=CC(C)=C(\C(N)=N\O)C=C1 92953 [0,1,1,0,0,0|2,0,0]=4 191 B12R1.1703 CC1=CC(Cl)=C(\C(N)=N\O)C=C1 92955 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.1703 CC1=CC(F)=C(\C(N)=N\O)C=C1 92956 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.1703 C\C(=N/O)C1=C([Pd+])C=C(O)C=C1 T70903 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.1703 N\C(=N/O)C1=C(F)C=C(F)C=C1 76849 [0,1,1,0,0,0|1,1,0]=4 195 B12R1.1703 O=C(NO)C1=C(Br)C=C(Cl)C=C1 96293 [0,1,1,0,0,0|0,0,2]=4 196 B12R1.57 CNC1=C(C(=O)O)C=CC(Cl)=C1 C15968 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 AT19378 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.234 COC1=CC(Cl)=CC(Br)=C1C=O 53835 [0,1,1,0,0,0|1,0,1]=4 199 B12R1.232 CC1=CC(Cl)=C(Br)C=C1C(=O)O W19669 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.232 CC1=CC(Cl)=C(I)C=C1C(=O)O AT12520 [0,1,1,0,0,0|2,0,0]=4 201 B12R1.232 NC1=C(Cl)C=C(C(=O)O)C(O)=C1 AC5568 [0,1,1,0,0,0|2,0,0]=4 202 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl F53436 [0,1,1,0,0,0|2,0,0]=4 203 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1O AT11228 [0,1,1,0,0,0|1,1,0]=4 204 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1O AT11227 [0,1,1,0,0,0|1,1,0]=4 205 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1F 53899 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F D86538 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Br 93548 [0,1,1,0,0,0|2,0,0]=4 208 B12R1.1000 CC1=CC(Cl)=CC(I)=C1C(=O)O 55380 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 95585 [0,1,1,0,0,0|2,0,0]=4 210 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1F AT10675 [0,1,1,0,0,0|2,0,0]=4 211 B12R2.1 BrCC1=NOC2=C1C=CC=N2 F13556 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.1 COC1=NNC2=C1C=CC=C2 P11898 [1,1,0,0,0,0|1,0,0]=3 213 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [1,1,0,0,0,0|2,0,0]=4 214 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [1,1,0,0,0,0|1,0,0]=3 216 B12R2.1 OCC1=NNC2=C1C=CC=N2 F18583 [1,1,0,0,0,0|2,0,0]=4 217 B12R2.1 OCC1=NOC2=NC=CC=C12 F13056 [1,1,0,0,0,0|1,0,0]=3 218 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)O1 95276 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [1,1,0,0,0,0|1,0,1]=4 220 B12R2.132 BrC1=CC2=C(C=C1)NN=C2Br 25334 [1,1,0,0,0,0|2,0,0]=4 221 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br 71676 [1,1,0,0,0,0|2,0,0]=4 222 B12R2.132 CC1=CC2=C(C=C1)SN=C2N 50632 [1,1,0,0,0,0|1,1,0]=4 223 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 F13807 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 83020 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.132 CC1=NOC2=C1C=C(Cl)C=C2 D78622 [1,1,0,0,0,0|1,0,0]=3 226 B12R2.132 IC1=CC2=C(C=C1)NN=C2I F18192 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 97386 [1,1,0,0,0,0|1,0,0]=3 228 B12R2.132 NC1=CC2=C(C=C1)NN=C2O I11429 [1,1,0,0,0,0|1,0,0]=3 229 B12R2.132 NC1=NSC2=C1C=C(I)C=C2 D87688 [1,1,0,0,0,0|1,1,0]=4 230 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 52578 [1,1,0,0,0,0|1,0,1]=4 231 B12R2.132 OC1=CC2=C(C=C1)ON=C2Cl AT24771 [1,1,0,0,0,0|1,0,0]=3 232 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 97402 [1,1,0,0,0,0|1,0,0]=3 233 B12R2.132 OC1=NNC2=C1C=C(F)C=C2 I10228 [1,1,0,0,0,0|1,0,0]=3 234 B12R2.132 O[C@H]1COC2=C1C=C(Br)C=C2 AT23850 [1,1,0,0,0,0|1,0,1]=4 235 B12R2.196 CC1=CC=CC2=C1NN=C2O F18597 [1,1,0,0,0,0|1,0,0]=3 236 B12R2.196 CC1=CC=CC2=C1OCC2=O 32296 [1,1,0,0,0,0|1,0,1]=4 237 B12R2.196 CC1=COC2=C(Br)C=CC=C12 76397 [1,1,0,0,0,0|2,0,0]=4 238 B12R2.196 ClC1=NOC2=C(Cl)C=CC=C12 AT25192 [1,1,0,0,0,0|1,0,0]=3 239 B12R2.196 ClC1=NSC2=C(Br)C=CC=C12 AT19022 [1,1,0,0,0,0|1,1,0]=4 240 B12R2.196 NC1=CC=CC2=C1OC=C2Cl F14478 [1,1,0,0,0,0|2,0,0]=4 241 B12R2.196 NC1=NOC2=C(Cl)C=CC=C12 AT10503 [1,1,0,0,0,0|1,0,0]=3 242 B12R2.196 NC1=NOC2=C(F)C=CC=C12 AT10505 [1,1,0,0,0,0|1,0,0]=3 243 B12R2.196 OC1=NNC2=C(F)C=CC=C12 F18746 [1,1,0,0,0,0|1,0,0]=3 244 B12R2.203 BrC1=NNC2=CC=CC(I)=C21 C16605 [1,1,0,0,0,0|2,0,0]=4 245 B12R2.203 CC1=C2C(=CC=C1)NN=C2Cl F18554 [1,1,0,0,0,0|2,0,0]=4 246 B12R2.203 CC1=C2C(=CC=C1)NN=C2O F18288 [1,1,0,0,0,0|1,0,0]=3 247 B12R2.203 CC1=COC2=CC=CC(Br)=C12 F30977 [1,1,0,0,0,0|2,0,0]=4 248 B12R2.203 CC1=NNC2=CC=CC(O)=C21 F17559 [1,1,0,0,0,0|2,0,0]=4 249 B12R2.203 IC1=NNC2=CC=CC(I)=C21 C16604 [1,1,0,0,0,0|2,0,0]=4 250 B12R2.203 NC1=NOC2=CC=CC(Cl)=C21 F30905 [1,1,0,0,0,0|1,0,0]=3 251 B12R2.203 NC1=NOC2=CC=CC(I)=C21 AC2683 [1,1,0,0,0,0|1,0,0]=3 252 B12R2.203 O=C1COC2=CC=CC(Cl)=C12 AT10336 [1,1,0,0,0,0|1,0,1]=4 253 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 57244 [1,1,0,0,0,0|2,0,0]=4 254 B12R2.82 CC1=C(Cl)C2=C(C=C1)C=NN2 55487 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.82 CC1=C(I)C2=C(C=C1)C=NN2 55469 [1,1,0,0,0,0|2,0,0]=4 256 B12R2.82 ClC1=C(Cl)C2=C(C=C1)C=NN2 F18009 [1,1,0,0,0,0|1,0,0]=3 257 B12R2.82 ClC1=C(Cl)C2=C(C=C1)NN=C2 F18732 [1,1,0,0,0,0|2,0,0]=4 258 B12R2.82 ClC1=C(Cl)C2=C(C=CS2)C=C1 93569 [1,1,0,0,0,0|1,1,0]=4 259 B12R2.82 NC1=C(O)C=CC2=C1NN=C2 93536 [1,1,0,0,0,0|2,0,0]=4 260 B12R2.82 OC1=C(Br)C2=C(C=C1)C=NN2 F18014 [1,1,0,0,0,0|2,0,0]=4 261 B12R2.82 OC1=C(Cl)C2=C(C=C1)C=NN2 C16254 [1,1,0,0,0,0|2,0,0]=4 262 B12R2.82 OC1=C(F)C2=C(C=CO2)C=C1 AC2179 [1,1,0,0,0,0|2,0,0]=4 263 B12R2.100 BrC1=C(I)C=C2NN=CC2=C1 AT21946 [1,1,0,0,0,0|1,1,0]=4 264 B12R2.100 CC1=CC2=C(C=NN2)C=C1N 72745 [1,1,0,0,0,0|2,0,0]=4 265 B12R2.100 FC1=C(Br)C=C2OC=CC2=C1 C91342 [1,1,0,0,0,0|1,1,0]=4 266 B12R2.100 NC1=C(O)C=C2C=NNC2=C1 F18010 [1,1,0,0,0,0|2,0,0]=4 267 B12R2.100 OC1=C(Cl)C=C2C=NNC2=C1 97038 [1,1,0,0,0,0|2,0,0]=4 268 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [1,1,0,0,0,0|2,0,0]=4 269 B12R2.246 FC1=C2NN=CC2=CC(Cl)=C1 88812 [1,1,0,0,0,0|2,0,0]=4 270 B12R2.246 FC1=C2NN=NC2=CC(Cl)=C1 96164 [1,1,0,0,0,0|2,0,0]=4 271 B12R2.246 NC1=C2C=NNC2=CC(I)=C1 P10505 [1,1,0,0,0,0|1,1,0]=4 272 B12R2.246 OC1=C2C=NOC2=CC(Br)=C1 93711 [1,1,0,0,0,0|0,1,0]=3 273 B12R2.606 ClC1=CC2=C(C=C1)C=C(Cl)N2 F52575 [1,1,0,0,0,0|2,0,0]=4 274 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=C1 C91486 [0,1,0,0,0,1|1,1,0]=4 275 B14R2.2332 ClCC1=NC=C2C=C(Cl)C=CC2=N1 AC2143 [0,1,0,0,0,1|2,0,0]=4 276 B14R2.2332 OC[C@H]1COC2=C(C=CC(Cl)=C2)N1 D88180 [0,1,0,0,0,1|1,0,1]=4 277 B14R2.8235 CC1=C2C=C(Br)C=CC2=NC(O)=N1 F52134 [0,1,0,0,0,1|1,1,0]=4 278 B14R2.8235 ClC1=CC=C2C=C(Cl)N=C(Cl)C2=C1 AT20879 [0,1,0,0,0,1|2,0,0]=4 279 B14R2.29369 ClC1=CC=C2N=C(Cl)N=CC2=C1Cl F15789 [0,1,0,0,0,1|2,0,0]=4 280 B14R2.29369 NC1=NC=C2C(=C1)C=CC(Cl)=C2F 52991 [0,1,0,0,0,1|2,0,0]=4 281 B14R2.29369 O=C1C(Br)=NNC2=C1C=CC(Cl)=C2 AT18195 [0,1,0,0,0,1|2,0,0]=4 282 B14R2.29369 O=C1C2=C(C=C(Cl)C=C2)N=NN1O D74472 [0,1,0,0,0,1|2,0,0]=4 283 B14R2.29369 O=C1N=CC2=C(C=CC(Cl)=C2Cl)N1 F15816 [0,1,0,0,0,1|1,0,1]=4 284 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CC=C1 N14589 [0,1,0,0,0,1|2,0,0]=4 285 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CN=C1 F15336 [0,1,0,0,0,1|1,0,0]=3 286 B14R2.1073 O\N=C1\CCOC2=C1C=CC(Br)=C2 AC8284 [0,1,0,0,0,1|1,1,0]=4 287 B14R2.1801 N#CC1=CC=C2C(=C1)N=CN=C2O AC7079 [0,1,0,0,0,1|2,0,0]=4 288 B14R2.8751 CC1=NNC(=O)C2=C1C=C(Cl)C=C2 C90254 [0,1,0,0,0,1|1,0,1]=4 289 B14R2.8751 OC1=CN=C(Cl)C2=CC(Cl)=CC=C12 F52294 [0,1,0,0,0,1|1,0,0]=3 290 B14R2.28472 CC1=C(Cl)C=C2N=CN=C(Cl)C2=C1 82065 [0,1,0,0,0,1|2,0,0]=4 291 B14R2.28472 ClC1=CC2=NC=NC(Cl)=C2C=C1Br 53878 [0,1,0,0,0,1|2,0,0]=4 292 B14R2.28472 ClC1=NC=NC2=CC(Cl)=C(Cl)C=C21 82059 [0,1,0,0,0,1|2,0,0]=4 293 B14R2.28472 FC1=C(Cl)C=C2C=NC=C(Br)C2=C1 97670 [0,1,0,0,0,1|2,0,0]=4 294 B14R2.28480 O[C@H]1CCOC2=CC(Cl)=CC(Cl)=C21 N12759 [0,1,0,0,0,1|1,0,1]=4 295 B14R2.29365 NC1=NC2=CC(Cl)=CC=C2C(Cl)=N1 F15725 [0,1,0,0,0,1|2,0,0]=4 296 B14R2.29365 O=C1C=C(Cl)C2=C(C=C(Cl)C=C2)O1 AC1874 [0,1,0,0,0,1|2,0,0]=4 297 B14R2.29365 O=C1C=C(O)C2=C(C=C(Cl)C=C2)O1 AC4988 [0,1,0,0,0,1|1,0,0]=3 298 B14R2.29365 O=C1NC(=O)C2=C(C=C(Cl)C=C2)O1 W17112 [0,1,0,0,0,1|0,0,2]=4 299 B14R2.29365 OC1=NC(O)=C2C=CC(Br)=CC2=C1 F51279 [0,1,0,0,0,1|1,1,0]=4 300 B14R2.152 COC1=CC2=C(C=C1)C(CO)=NN2 F13049 [0,2,0,0,0,0|2,0,0]=4 301 B14R2.300 O=C(O)C1=COC2=C1C=CC(Br)=C2 82320 [0,2,0,0,0,0|1,1,0]=4 302 B14R2.12145 N#CC1=NNC2=CC(Cl)=C(Br)C=C21 54742 [0,2,0,0,0,0|2,0,0]=4 303 B14R2.12145 O=CC1=NNC2=CC(Cl)=C(Br)C=C21 54741 [0,2,0,0,0,0|1,0,1]=4 304 B14R2.12145 OCC1=COC2=CC(F)=C(Br)C=C12 93465 [0,2,0,0,0,0|1,1,0]=4 305 B14R2.5719 NC1=NOC2=C1C=CC([N+](=O)[O-])=C2 O11618 [0,2,0,0,0,0|2,0,0]=4 306 B14R2.5719 O=[N+]([O-])C1=CC2=C(C=C1)C(O)=NN2 77996 [0,2,0,0,0,0|2,0,0]=4 307 B14R2.3818 CC1=NOC2=C1C=CC(O)=C2C=O AC6558 [0,2,0,0,0,0|2,0,0]=4 308 B14R2.1948 COC1=C2C(=CC(Br)=C1)ON=C2C 93706 [0,2,0,0,0,0|1,1,0]=4