0 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [0,0,0,0,0,0|0,0,2]=2 2 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.42 CCOC(=O)COC1=CN=CC=C1 E50088 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,0,0,0,0,0|0,0,0]=0 5 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 B68220 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,0,0,0,0,0|0,0,2]=3 9 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 E7874 [0,1,0,0,0,0|1,0,1]=3 17 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 E13942 [0,1,0,0,0,0|1,0,1]=3 18 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 E52593 [0,1,0,0,0,0|1,0,1]=3 19 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 E55507 [0,1,0,0,0,0|0,0,2]=3 20 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 E54240 [0,1,0,0,0,0|1,0,2]=4 21 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 E54794 [0,1,0,0,0,0|0,0,2]=3 22 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 E66327 [0,1,0,0,0,0|0,0,2]=3 23 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 E52756 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 E61637 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,1,0,0,0,0|0,0,2]=3 26 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [0,1,0,0,0,0|0,0,1]=2 27 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B36901 [0,1,0,0,0,0|2,0,1]=4 28 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B54180 [0,1,0,0,0,0|2,0,1]=4 29 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 B54663 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 B61831 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 B36632 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 E55405 [0,1,0,0,0,0|0,0,2]=3 33 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [0,1,0,0,0,0|0,0,2]=3 34 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,1,0,0,0,0|0,0,2]=3 35 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [0,1,0,0,0,0|0,0,2]=3 36 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [0,1,0,0,0,0|0,0,2]=3 37 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [0,1,0,0,0,0|1,0,1]=3 38 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [0,1,0,0,0,0|0,0,0]=1 39 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [0,1,0,0,0,0|0,0,0]=1 40 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 E54669 [0,1,0,0,0,0|0,0,2]=3 41 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 E52853 [0,1,0,0,0,0|1,0,1]=3 42 B14R1.756 COC(=O)C(=O)C=CC1=CC=CC=C1 M54350 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.30 O=C1OCC=C1SC2=CC=CC=C2 P5648 [0,0,0,1,0,0|1,0,1]=3 44 B14R2.112 CNCC1=CC2=CC=CC=C2C=C1 M55784 [0,0,0,1,0,0|3,0,0]=4 45 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 H54402 [0,0,0,1,0,0|3,0,0]=4 46 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 B55421 [0,0,0,1,0,0|3,0,0]=4 47 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 M55760 [0,0,0,1,0,0|3,0,0]=4 48 B14R2.598 CN1N=C(Br)C=C1C2=CC=CC=C2 B53843 [0,0,0,1,0,0|3,0,0]=4 49 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,0,0,1,0,0|2,0,1]=4 50 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 P53492 [0,0,0,1,0,0|1,0,1]=3 51 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,0,0,0,1,0|1,0,1]=3 52 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [0,0,0,0,1,0|1,0,1]=3 53 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [0,0,0,0,1,0|1,0,1]=3 54 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [0,0,0,0,1,0|1,0,1]=3 55 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [0,0,0,0,1,0|2,0,1]=4 56 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [0,0,0,0,1,0|2,0,1]=4 57 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [0,0,0,0,1,0|1,0,1]=3 58 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [0,0,0,0,1,0|2,0,0]=3 59 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [0,0,0,0,0,1|1,0,2]=4 60 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,0,0,0,0,1|0,0,2]=3 61 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,0,0,0,0,1|0,0,2]=3 62 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,0,0,0,0,1|0,0,2]=3 63 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,0,0,0,0,1|0,0,2]=3 64 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [2,0,0,0,0,0|0,0,0]=2 67 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [2,0,0,0,0,0|0,0,2]=4 69 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [2,0,0,0,0,0|1,0,0]=3 70 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [2,0,0,0,0,0|1,0,1]=4 72 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [2,0,0,0,0,0|0,0,0]=2 73 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [2,0,0,0,0,0|1,0,0]=3 74 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [2,0,0,0,0,0|1,0,0]=3 75 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [2,0,0,0,0,0|1,0,1]=4 76 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [1,1,0,0,0,0|0,0,1]=3 77 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 M51823 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 M51824 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [1,1,0,0,0,0|0,0,2]=4 80 B13R1.14 COC(=O)C=CC1=CC=C(Br)C=C1 M53987 [1,1,0,0,0,0|0,0,0]=2 81 B13R1.14 COC(=O)C=CC1=CC=C(C)C=C1 M54553 [1,1,0,0,0,0|0,0,0]=2 82 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [1,1,0,0,0,0|0,0,2]=4 83 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [1,1,0,0,0,0|0,0,2]=4 84 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [1,1,0,0,0,0|0,0,2]=4 85 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [1,1,0,0,0,0|0,0,2]=4 86 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [1,1,0,0,0,0|0,0,2]=4 87 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [1,1,0,0,0,0|0,0,2]=4 89 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [1,1,0,0,0,0|0,0,2]=4 90 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 M52568 [1,1,0,0,0,0|0,0,0]=2 91 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [1,1,0,0,0,0|0,0,2]=4 92 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [1,1,0,0,0,0|0,0,2]=4 93 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [1,1,0,0,0,0|0,0,2]=4 94 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [1,1,0,0,0,0|0,0,2]=4 95 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [1,1,0,0,0,0|0,0,2]=4 96 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [1,1,0,0,0,0|0,0,2]=4 97 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A68459 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A69426 [1,1,0,0,0,0|1,0,1]=4 99 B13R1.528 COC(=O)C=CC1=C(N)C=CC=C1 M52562 [1,1,0,0,0,0|0,0,0]=2 100 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [1,1,0,0,0,0|0,0,2]=4 101 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 B66324 [0,1,0,0,1,0|2,0,0]=4 102 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 E39598 [0,1,0,0,1,0|0,0,1]=3 103 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 E54764 [0,1,0,0,1,0|0,0,1]=3 104 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 E37347 [0,1,0,0,1,0|0,0,1]=3 105 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 E52643 [0,1,0,0,1,0|0,0,1]=3 106 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 E52825 [0,1,0,0,1,0|0,0,1]=3 107 B13R1.19 CCOC(=O)CC1=CN=C(Cl)C=C1 E49806 [0,1,0,0,1,0|1,0,1]=4 108 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 E50182 [0,1,0,0,1,0|1,0,1]=4 109 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 E7704 [0,1,0,0,1,0|1,0,1]=4 110 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 E17839 [0,1,0,0,1,0|1,0,1]=4 111 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 M12778 [0,1,0,0,1,0|1,0,1]=4 112 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 E1730 [0,1,0,0,1,0|1,0,1]=4 113 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 E1822 [0,1,0,0,1,0|1,0,1]=4 114 B13R1.20 CCOC(=O)CC1=CC(O)=CC=C1 E52824 [0,1,0,0,1,0|0,0,1]=3 115 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 E52616 [0,1,0,0,1,0|0,0,1]=3 116 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 E52635 [0,1,0,0,1,0|0,0,1]=3 117 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=N1 E49815 [0,1,0,0,1,0|1,0,1]=4 118 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 E52642 [0,1,0,0,1,0|0,0,1]=3 119 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 E52964 [0,1,0,0,1,0|1,0,1]=4 120 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 E9002 [0,1,0,0,1,0|1,0,1]=4 121 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 E37568 [0,1,0,0,1,0|1,0,1]=4 122 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 E15017 [0,1,0,0,1,0|1,0,0]=3 123 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 E63316 [0,1,0,0,1,0|0,0,1]=3 124 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 E8869 [0,1,0,0,1,0|0,0,1]=3 125 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E15413 [0,1,0,0,1,0|1,0,1]=4 126 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E61729 [0,1,0,0,1,0|1,0,1]=4 127 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M56079 [0,1,0,0,1,0|1,0,1]=4 128 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=N1 E22128 [0,1,0,0,1,0|1,0,1]=4 129 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 E24006 [0,1,0,0,1,0|1,0,1]=4 130 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 E52634 [0,1,0,0,1,0|0,0,1]=3 131 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 E52639 [0,1,0,0,1,0|0,0,1]=3 132 B13R1.470 CCOC(=O)CC1=C(I)C=CC=C1 E52649 [0,1,0,0,1,0|0,0,1]=3 133 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 E54158 [0,1,0,0,1,0|0,0,1]=3 134 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl E0581 [0,1,0,0,1,0|1,0,1]=4 135 B13R1.470 CCOC(=O)CC1=NC=CC=C1N E50181 [0,1,0,0,1,0|1,0,1]=4 136 B13R1.470 CCOC(=O)CC1=NC=CC=C1O E13461 [0,1,0,0,1,0|1,0,1]=4 137 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 E50098 [0,1,0,0,1,0|1,0,1]=4 138 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 E12821 [0,1,0,0,1,0|1,0,1]=4 139 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 E49940 [0,1,0,0,1,0|1,0,1]=4 140 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 E37053 [0,1,0,0,0,1|0,0,2]=4 141 B15R1.89 CCOC(=O)C=CC(=O)C1=CC=CC=C1 E55766 [0,1,0,0,0,1|0,0,0]=2 142 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E55926 [0,1,0,0,0,1|0,0,1]=3 143 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 E67497 [0,1,0,0,0,1|0,0,2]=4 144 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 H56622 [0,1,0,0,0,1|0,0,2]=4 145 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E68769 [0,1,0,0,0,1|0,0,2]=4 146 B15R1.826 CCOC(=O)\C(Cl)=N\NC1=CC=CC=C1 E60618 [0,1,0,0,0,1|1,0,0]=3 147 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)C=C1 E54462 [0,2,0,0,0,0|0,0,1]=3 148 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C)C=C1 E55929 [0,2,0,0,0,0|0,0,1]=3 149 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Cl)C=C1 E68007 [0,2,0,0,0,0|0,0,1]=3 150 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 E65968 [0,2,0,0,0,0|0,0,1]=3 151 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(I)C=C1 E54470 [0,2,0,0,0,0|0,0,1]=3 152 B15R1.24 CCOC(=O)CC(=O)C1=CC(C)=CC=C1 E55928 [0,2,0,0,0,0|0,0,1]=3 153 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(Br)=C1 E54461 [0,2,0,0,0,0|0,0,1]=3 154 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(Cl)=C1 E63526 [0,2,0,0,0,0|0,0,1]=3 155 B15R1.24 CCOC(=O)CC(=O)C1=CC=CC(F)=C1 E54466 [0,2,0,0,0,0|0,0,1]=3 156 B15R1.578 CCOC(=O)[C@@H](C)C(=O)C1=CC=CC=C1 E37287 [0,2,0,0,0,0|0,0,1]=3 157 B15R1.3722 CCOC(=O)CC(=O)C1=C(C)C=CC=C1 E36748 [0,2,0,0,0,0|0,0,1]=3 158 B15R1.3722 CCOC(=O)CC(=O)C1=C(Cl)C=CC=C1 E38038 [0,2,0,0,0,0|0,0,1]=3 159 B15R1.3722 CCOC(=O)CC(=O)C1=C(F)C=CC=C1 E54467 [0,2,0,0,0,0|0,0,1]=3 160 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Br)C=C1 E65719 [0,2,0,0,0,0|1,0,0]=3 161 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Cl)C=C1 E65718 [0,2,0,0,0,0|1,0,0]=3 162 B15R1.48 CCOC(=O)C(=O)NC1=NC=C(Cl)C=C1 E17941 [0,2,0,0,0,0|2,0,0]=4 163 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(F)C=C1 E55479 [0,2,0,0,0,0|0,0,2]=4 164 B15R1.48 CCOC(=O)[C@H](C)OC1=CC=C(O)C=C1 E54807 [0,2,0,0,0,0|1,0,1]=4 165 B15R1.48 CCOC(=O)[C@H](N)CC1=CC=C(F)C=C1 E55478 [0,2,0,0,0,0|0,0,2]=4 166 B15R1.5919 O=C(O)CNC(=O)\C=C\C1=CC=CC=C1 P66092 [0,2,0,0,0,0|1,0,1]=4 167 B15R1.791 CCOC(=O)CCC1=C(C)C=C(O)C=C1 E65404 [0,2,0,0,0,0|0,0,2]=4 168 B15R1.793 CCOC(=O)CCC1=CC=C(CO)C=C1 E56104 [0,2,0,0,0,0|0,0,2]=4 169 B15R1.1001 COC(=O)C(=O)\C=C\C1=CC=C(Br)C=C1 M55409 [0,2,0,0,0,0|2,0,0]=4 170 B15R1.768 CCOC(=O)COC1=C(OC)C=CC=C1 E54805 [0,2,0,0,0,0|1,0,1]=4 171 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 E53918 [0,0,1,1,0,0|1,0,1]=4 172 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 E52451 [0,0,1,1,0,0|1,0,0]=3 173 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 E52943 [0,0,1,1,0,0|1,0,1]=4 174 B13R1.460 CCOC(=O)C1=CC(C#N)=CC=C1 E53919 [0,0,1,1,0,0|1,0,1]=4 175 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 E36759 [0,0,1,1,0,0|2,0,0]=4 176 B13R1.460 CCOC(=O)C1=CC=CC(CCl)=C1 E52633 [0,0,1,1,0,0|1,0,1]=4 177 B13R1.446 CCOC(=O)C1=C(Br)C=CC(F)=C1 E51575 [0,0,1,1,0,0|2,0,0]=4 178 B13R1.446 CCOC(=O)C1=C(Br)C=CC(I)=C1 E51593 [0,0,1,1,0,0|2,0,0]=4 179 B13R1.446 CCOC(=O)C1=C(C)C=CC(Cl)=C1 E52636 [0,0,1,1,0,0|1,0,1]=4 180 B13R1.446 CCOC(=O)C1=C(C)C=CC(I)=C1 E63252 [0,0,1,1,0,0|1,0,1]=4 181 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(Br)=C1 E51566 [0,0,1,1,0,0|2,0,0]=4 182 B13R1.446 CCOC(=O)C1=C(F)C=CC(Br)=C1 E51580 [0,0,1,1,0,0|2,0,0]=4 183 B13R1.446 CCOC(=O)C1=C(F)C=CC(F)=C1 E51612 [0,0,1,1,0,0|2,0,0]=4 184 B13R1.446 CCOC(=O)C1=C(F)C=CC(I)=C1 E51618 [0,0,1,1,0,0|2,0,0]=4 185 B13R1.446 CCOC(=O)C1=C(F)C=CC(N)=C1 E62886 [0,0,1,1,0,0|2,0,0]=4 186 B13R1.446 CCOC(=O)C1=C(I)C=CC(Br)=C1 E63027 [0,0,1,1,0,0|2,0,0]=4 187 B13R1.446 CCOC(=O)C1=C(I)C=CC(C)=C1 E52650 [0,0,1,1,0,0|1,0,1]=4 188 B13R1.446 CCOC(=O)C1=C(I)C=CC(Cl)=C1 E51609 [0,0,1,1,0,0|2,0,0]=4 189 B13R1.446 CCOC(=O)C1=C(N)C=CC(Br)=C1 E49788 [0,0,1,1,0,0|2,0,0]=4 190 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 E52946 [0,0,1,1,0,0|1,0,1]=4 191 B13R1.446 CCOC(=O)C1=C(N)C=CC(F)=C1 E49828 [0,0,1,1,0,0|2,0,0]=4 192 B13R1.446 CCOC(=O)C1=C(N)C=CC(I)=C1 E49842 [0,0,1,1,0,0|2,0,0]=4 193 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 E52001 [0,0,1,1,0,0|2,0,0]=4 194 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 P0629 [1,0,0,1,0,0|0,0,1]=3 195 B13R2.1613 CCC1=CC=CC2=CC=CC=C21 E55695 [1,0,0,1,0,0|1,0,0]=3 196 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 M54375 [1,0,0,1,0,0|2,0,0]=4 197 B13R2.1613 COC1=CC=CC2=CC=CC=C21 M68560 [1,0,0,1,0,0|2,0,0]=4 198 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 N54368 [1,0,0,1,0,0|2,0,0]=4 199 B13R2.1613 OCC1=CC=CC2=CC=CC=C21 N69061 [1,0,0,1,0,0|2,0,0]=4 200 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 C50933 [1,0,0,1,0,0|2,0,0]=4 201 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 A51351 [1,0,0,1,0,0|2,0,0]=4 202 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [1,0,0,1,0,0|2,0,0]=4 203 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [1,0,0,1,0,0|1,0,1]=4 204 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [1,0,0,1,0,0|0,0,2]=4 205 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [1,0,0,1,0,0|2,0,0]=4 206 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [1,0,0,1,0,0|2,0,0]=4 207 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [1,0,0,1,0,0|2,0,0]=4 208 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [1,0,0,1,0,0|2,0,0]=4 209 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [1,0,0,1,0,0|2,0,0]=4 210 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [1,0,0,1,0,0|2,0,0]=4 211 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [1,0,0,1,0,0|1,0,0]=3 212 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [1,0,0,1,0,0|2,0,0]=4 213 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [1,0,0,1,0,0|2,0,0]=4 214 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [1,0,0,1,0,0|2,0,0]=4 215 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [1,0,0,1,0,0|2,0,0]=4 216 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [1,0,0,1,0,0|2,0,0]=4 217 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [1,0,0,1,0,0|0,0,2]=4 218 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 E54600 [0,0,0,1,1,0|2,0,0]=4 219 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,1,1,0|2,0,0]=4 220 B13R2.449 CCOC1=CC2=C(C=CN2)C=C1 E36810 [0,0,0,1,1,0|2,0,0]=4 221 B15R2.73 CCOC(=O)C1=C2C=CC=CN2C=N1 E14227 [0,0,0,1,0,1|1,0,0]=3 222 B15R2.73 CCOC(=O)C1=C2C=CC=CN2N=C1 E1789 [0,0,0,1,0,1|1,0,0]=3 223 B15R2.73 CCOC(=O)C1=C2C=CC=NN2N=C1 E15085 [0,0,0,1,0,1|2,0,0]=4 224 B15R2.73 CCOC(=O)C1=C2N=CC=CN2N=C1 E14175 [0,0,0,1,0,1|2,0,0]=4 225 B15R2.73 CCOC(=O)C1=CN=C2C=CC=CN12 E52317 [0,0,0,1,0,1|1,0,0]=3 226 B15R2.73 CCOC(=O)C1=CN=C2C=NC=CN12 E51726 [0,0,0,1,0,1|2,0,0]=4 227 B15R2.73 CCOC(=O)C1=CN=C2N=CC=CN12 E51728 [0,0,0,1,0,1|2,0,0]=4 228 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 E54411 [0,0,0,1,0,1|0,0,0]=2 229 B15R2.73 CCOC(=O)C1=CNC2=C1C=CN=C2 E39027 [0,0,0,1,0,1|1,0,0]=3 230 B15R2.73 CCOC(=O)C1=NC=C2C=CC=CN21 E38953 [0,0,0,1,0,1|1,0,0]=3 231 B15R2.73 CCOC(=O)C1=NNC2=C1C=CC=C2 E9329 [0,0,0,1,0,1|1,0,0]=3 232 B15R2.73 CCOC(=O)C1=NNC2=C1C=CN=C2 E16291 [0,0,0,1,0,1|2,0,0]=4 233 B15R2.73 CCOC(=O)C1=NNC2=CC=CN=C21 P0521 [0,0,0,1,0,1|2,0,0]=4 234 B15R2.73 CCOC(=O)C1=NOC2=C1C=CC=C2 E67795 [0,0,0,1,0,1|1,0,0]=3 235 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 E30019 [0,0,0,1,0,1|0,0,2]=4 236 B15R2.1290 CCOC1=CC2=C(O)C=CN=C2C=C1 E62364 [0,1,0,1,0,0|2,0,0]=4 237 B15R2.10252 CCOC1=CC2=CC=C(C)N=C2C=C1 M55807 [0,1,0,1,0,0|2,0,0]=4 238 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 E23375 [0,1,0,1,0,0|0,0,0]=2 239 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 E1007 [0,1,0,1,0,0|0,0,0]=2 240 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=N2)N1 E1704 [0,1,0,1,0,0|1,0,0]=3 241 B15R2.1356 CCOC(=O)C1=CC2=C(C=CN=C2)N1 E4185 [0,1,0,1,0,0|1,0,0]=3 242 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)N1 E1705 [0,1,0,1,0,0|1,0,0]=3 243 B15R2.1356 CCOC(=O)C1=CC2=C(N=CC=C2)N1 E9678 [0,1,0,1,0,0|1,0,0]=3 244 B15R2.1356 CCOC(=O)C1=CC2=CC=CN=C2S1 E12731 [0,1,0,1,0,0|1,0,0]=3 245 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 E8609 [0,1,0,1,0,0|1,0,0]=3 246 B15R2.1356 CCOC(=O)C1=CN2C=CC=NC2=N1 E51727 [0,1,0,1,0,0|2,0,0]=4 247 B15R2.1356 CCOC(=O)C1=CN2C=CN=CC2=N1 E11708 [0,1,0,1,0,0|2,0,0]=4 248 B15R2.1356 CCOC(=O)C1=CN2N=CC=CC2=N1 E12645 [0,1,0,1,0,0|2,0,0]=4 249 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)N1 E52314 [0,1,0,1,0,0|1,0,0]=3 250 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 E53949 [0,1,0,1,0,0|1,0,0]=3 251 B15R2.1356 CCOC(=O)C1=NN2C=CC=CC2=N1 E51730 [0,1,0,1,0,0|2,0,0]=4 252 B15R2.1356 CCOC(=O)C1=NN2N=CC=CC2=C1 E15086 [0,1,0,1,0,0|2,0,0]=4 253 B15R2.1282 CCOC1=CC2=CC(O)=CC=C2C=C1 E4952 [0,1,0,1,0,0|1,0,0]=3 254 B15R2.1601 CC[C@@H](N)C1=CC2=CC=CC=C2C=C1 N57415 [0,1,0,1,0,0|2,0,0]=4 255 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 N57416 [0,1,0,1,0,0|2,0,0]=4 256 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 D55301 [0,1,0,1,0,0|2,0,0]=4 257 B15R2.2115 COC1=C(C=O)C=CC2=CC=CC=C21 M62094 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [1,0,0,0,1,0|1,0,1]=4 259 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [1,0,0,0,1,0|1,0,1]=4 260 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [1,0,0,0,1,0|1,0,1]=4 261 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [1,0,0,0,1,0|1,0,0]=3 262 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [1,0,0,0,1,0|2,0,0]=4 263 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [1,0,0,0,1,0|2,0,0]=4 264 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [1,0,0,0,1,0|2,0,0]=4 265 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [1,0,0,0,1,0|2,0,0]=4 266 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,0,0,0,2,0|1,0,1]=4 267 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,0,0,0,2,0|2,0,0]=4 268 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,0,0,0,2,0|2,0,0]=4 269 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [0,0,0,0,2,0|2,0,0]=4 270 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [0,0,0,0,2,0|1,0,0]=3 271 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [0,0,0,0,2,0|1,0,0]=3 272 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [0,0,0,0,2,0|2,0,0]=4 273 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [0,0,0,0,2,0|1,0,0]=3 274 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [0,0,0,0,2,0|2,0,0]=4 275 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,0,0,0,2,0|2,0,0]=4 276 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [0,0,0,0,2,0|2,0,0]=4 277 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,0,0,0,2,0|1,0,0]=3 278 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,0,0,0,2,0|1,0,0]=3 279 B11R1.30 CCOC(=O)CC1=CC=CN1 E14510 [0,0,0,0,2,0|1,0,1]=4 280 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 E22546 [0,0,0,0,0,2|0,0,2]=4