0 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 26375 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 S10131 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 50304 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 I10097 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)S1 D82815 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.435 CC(C)C1=NC2=C(C=CC=C2)N1 F13441 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)N1 A10867 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.435 C[C@H](N)C1=NC2=C(C=CC=C2)N1 31693 [0,0,0,0,0,0|3,0,1]=4 8 B13R2.435 C[C@H](N)C1=NC2=C(C=CC=C2)N1 71728 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.435 C[C@H](N)C1=NC2=C(C=CC=C2)N1 AT21574 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.435 C[C@H](O)C1=NC2=C(C=CC=C2)N1 D90968 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 23768 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 27762 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)S1 58581 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 F14760 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)S1 29569 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 33880 [0,0,0,0,0,0|0,0,0]=0 17 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 O11693 [0,0,0,0,0,0|1,0,0]=1 18 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 28795 [0,0,0,0,0,0|1,0,0]=1 19 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 69398 [0,0,0,0,0,0|1,0,0]=1 20 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 82838 [0,0,0,0,0,0|1,0,0]=1 21 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BL007542 [0,0,0,0,0,0|1,0,0]=1 22 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 65540 [0,0,0,0,0,0|1,0,0]=1 23 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 F51524 [0,0,0,0,0,0|2,0,0]=2 24 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 68905 [0,0,0,0,0,0|1,0,1]=2 25 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 W10230 [0,0,0,0,0,0|1,0,1]=2 26 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 52280 [0,0,0,0,0,0|2,0,1]=3 27 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 26775 [0,0,0,0,0,0|2,0,1]=3 28 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 24387 [0,0,0,0,0,0|2,0,1]=3 29 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 53616 [0,0,0,0,0,0|1,0,0]=1 30 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BL005417 [0,0,0,0,0,0|1,0,1]=2 31 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 80120 [0,0,0,0,0,0|2,0,1]=3 32 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 71090 [0,0,0,0,0,0|1,0,2]=3 33 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 31091 [0,0,0,0,0,0|0,0,2]=2 34 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 62704 [0,0,0,0,0,0|0,0,2]=2 35 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 78262 [0,0,0,0,0,0|0,0,2]=2 36 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)O1 33542 [0,0,0,0,0,0|1,0,2]=3 37 B13R2.435 O=[N+]([O-])C1=NC2=C(C=CC=C2)N1 D82627 [0,0,0,0,0,0|2,0,1]=3 38 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 33139 [0,0,0,0,0,0|2,0,1]=3 39 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 33144 [0,0,0,0,0,0|2,0,1]=3 40 B12R2.32 C=CC1=NC2=C(C=CC=C2)N1 D83508 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 Y10749 [1,0,0,0,0,0|1,0,1]=3 42 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 34749 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 26661 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.32 CSC1=NC2=C(C=CC=C2)N1 D83702 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.32 ClCC1=CC2=C(C=CC=C2)S1 D78699 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 85493 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 36571 [1,0,0,0,0,0|1,0,1]=3 48 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 25990 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 83416 [1,0,0,0,0,0|2,0,1]=4 50 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 30169 [1,0,0,0,0,0|2,0,1]=4 51 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 23874 [1,0,0,0,0,0|2,0,1]=4 52 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 24085 [1,0,0,0,0,0|2,0,1]=4 53 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 83040 [1,0,0,0,0,0|2,0,1]=4 54 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 S12070 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 52682 [1,0,0,0,0,0|0,0,0]=1 56 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 53682 [1,0,0,0,0,0|1,0,0]=2 57 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 82463 [1,0,0,0,0,0|1,0,0]=2 58 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 82999 [1,0,0,0,0,0|1,0,0]=2 59 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 73938 [1,0,0,0,0,0|1,0,1]=3 60 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 23861 [1,0,0,0,0,0|0,0,1]=2 61 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 AB3056 [1,0,0,0,0,0|1,0,1]=3 62 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 62317 [1,0,0,0,0,0|1,0,1]=3 63 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 28470 [1,0,0,0,0,0|1,0,1]=3 64 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 26174 [1,0,0,0,0,0|1,0,2]=4 65 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 AC2208 [1,0,0,0,0,0|1,0,2]=4 66 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 D86143 [1,0,0,0,0,0|2,0,1]=4 67 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 F20204 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.450 CC1=C(C(=O)O)N=C2C=CC=CN21 72513 [0,1,0,0,0,0|1,0,1]=3 69 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 86904 [0,1,0,0,0,0|0,0,0]=1 70 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 CX1247 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.450 CC1=C(C(=O)O)SC2=C1C=CC=C2 84165 [0,1,0,0,0,0|1,0,0]=2 72 B14R2.450 CN1C(B(O)O)=CC2=C1C=CC=C2 D76244 [0,1,0,0,0,0|1,0,1]=3 73 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 64221 [0,1,0,0,0,0|0,0,0]=1 74 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 11616 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 S10709 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 32817 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 29481 [0,1,0,0,0,0|0,0,0]=1 78 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)N1 D86903 [0,1,0,0,0,0|0,0,0]=1 79 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 29432 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 29317 [0,1,0,0,0,0|1,0,2]=4 81 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 78251 [0,1,0,0,0,0|1,0,2]=4 82 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 34022 [0,1,0,0,0,0|0,0,0]=1 83 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 AC4641 [0,1,0,0,0,0|1,0,0]=2 84 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 28907 [0,1,0,0,0,0|1,0,0]=2 85 B14R2.972 COC(=O)C1=CC2=C(C=CN=C2)S1 81278 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 63402 [0,1,0,0,0,0|1,0,0]=2 87 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 27062 [0,1,0,0,0,0|1,0,1]=3 88 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 63598 [0,1,0,0,0,0|1,0,1]=3 89 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)N1 D97620 [0,1,0,0,0,0|1,0,0]=2 90 B14R2.972 O=C(CBr)C1=NC2=C(C=CC=C2)S1 71454 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.3129 CC(C)(C)C1=CC2=C(C=CC=C2)N1 Y10991 [0,1,0,0,0,0|2,0,1]=4 92 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)O1 F13228 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.3129 O=S(=O)(O)C1=NC2=C(C=CC=C2)N1 C15754 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Br)=C2)O1 77541 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 64738 [0,1,0,0,0,0|0,0,0]=1 96 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 33895 [0,1,0,0,0,0|0,0,0]=1 97 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=N2 D80936 [0,1,0,0,0,0|1,0,1]=3 98 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 51798 [0,1,0,0,0,0|1,0,1]=3 99 B14R2.4529 NC(=O)C1=CC2=C(C=C(Cl)C=C2)N1 D97363 [0,1,0,0,0,0|1,0,0]=2 100 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 C74007 [0,1,0,0,0,0|1,0,0]=2 101 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 33627 [0,1,0,0,0,0|0,0,0]=1 102 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 33864 [0,1,0,0,0,0|0,0,0]=1 103 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 O11580 [0,1,0,0,0,0|1,0,0]=2 104 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 33866 [0,1,0,0,0,0|0,0,0]=1 105 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 33857 [0,1,0,0,0,0|0,0,0]=1 106 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 H11401 [0,1,0,0,0,0|1,0,0]=2 107 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 FD7313 [0,1,0,0,0,0|1,0,0]=2 108 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 CL3504 [0,1,0,0,0,0|0,0,0]=1 109 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 50626 [0,1,0,0,0,0|1,0,0]=2 110 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=N2)N1 P12299 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 33858 [0,1,0,0,0,0|0,0,0]=1 112 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 76283 [0,1,0,0,0,0|1,0,0]=2 113 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 52720 [0,1,0,0,0,0|1,0,0]=2 114 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 25741 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 SC2521 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 31146 [0,1,0,0,0,0|1,0,1]=3 117 B14R2.4529 O=C(O)C1=CN2C=C(Br)N=CC2=N1 35981 [0,1,0,0,0,0|2,0,1]=4 118 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 51789 [0,1,0,0,0,0|1,0,1]=3 119 B14R2.4529 O=C(O)C1=CN2C=C(F)C=CC2=N1 51792 [0,1,0,0,0,0|1,0,1]=3 120 B14R2.4529 O=C(O)C1=CN2C=C(I)C=CC2=N1 68921 [0,1,0,0,0,0|1,0,1]=3 121 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 68915 [0,1,0,0,0,0|1,0,1]=3 122 B14R2.4529 O=C(O)C1=CN2N=C(Cl)C=CC2=N1 51790 [0,1,0,0,0,0|2,0,1]=4 123 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Br)=C2)N1 73519 [0,1,0,0,0,0|1,0,0]=2 124 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=NC2=C1 F11337 [0,1,0,0,0,0|2,0,1]=4 125 B14R2.4529 OB(O)C1=CC2=C(C=CC(Br)=C2)O1 F30077 [0,1,0,0,0,0|2,0,1]=4 126 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 31150 [0,1,0,0,0,0|1,0,1]=3 127 B14R2.7969 CC1=CC=CN2C=C(C(=O)O)N=C12 68906 [0,1,0,0,0,0|1,0,1]=3 128 B14R2.7969 NC1=CC=CC2=C1C=C(C(=O)O)N2 D82694 [0,1,0,0,0,0|0,0,0]=1 129 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 25409 [0,1,0,0,0,0|0,0,0]=1 130 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 P10257 [0,1,0,0,0,0|1,0,0]=2 131 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 33940 [0,1,0,0,0,0|0,0,0]=1 132 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 71576 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 25097 [0,1,0,0,0,0|0,0,0]=1 134 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 25785 [0,1,0,0,0,0|0,0,0]=1 135 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 66267 [0,1,0,0,0,0|1,0,0]=2 136 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 35690 [0,1,0,0,0,0|0,0,0]=1 137 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 25342 [0,1,0,0,0,0|1,0,0]=2 138 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 68917 [0,1,0,0,0,0|1,0,1]=3 139 B14R2.7969 O=C(O)C1=CN2C(Cl)=CC=CC2=N1 68916 [0,1,0,0,0,0|1,0,1]=3 140 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 AC9002 [0,0,1,0,0,0|3,0,0]=4 141 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [0,0,1,0,0,0|1,0,0]=2 142 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 65146 [0,0,1,0,0,0|1,0,2]=4 143 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O AR3815 [0,0,1,0,0,0|1,0,2]=4 144 B12R1.43 C\C(=C/C1=CC=CC=C1)[N+](=O)[O-] 36100 [0,0,1,0,0,0|2,0,1]=4 145 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [0,0,1,0,0,0|1,0,2]=4 146 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [0,0,1,0,0,0|1,0,2]=4 147 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [0,0,1,0,0,0|1,0,2]=4 148 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [0,0,1,0,0,0|1,0,2]=4 149 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [0,0,1,0,0,0|1,0,2]=4 150 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [0,0,1,0,0,0|0,0,2]=3 151 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [0,0,1,0,0,0|0,0,2]=3 152 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [0,0,1,0,0,0|0,0,2]=3 153 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [0,0,1,0,0,0|0,0,2]=3 154 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 50941 [0,0,1,0,0,0|1,0,2]=4 155 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O C10909 [0,0,1,0,0,0|1,0,2]=4 156 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O O10212 [0,0,1,0,0,0|1,0,2]=4 157 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O W16799 [0,0,1,0,0,0|1,0,2]=4 158 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 24145 [0,0,1,0,0,0|1,0,2]=4 159 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 34743 [0,0,1,0,0,0|1,0,2]=4 160 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O C74797 [0,0,1,0,0,0|1,0,2]=4 161 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O H10629 [0,0,1,0,0,0|1,0,2]=4 162 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50237 [0,0,1,0,0,0|1,0,2]=4 163 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50238 [0,0,1,0,0,0|1,0,2]=4 164 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50249 [0,0,1,0,0,0|1,0,2]=4 165 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [0,0,1,0,0,0|1,0,1]=3 166 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [0,0,1,0,0,0|1,0,2]=4 167 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [0,0,1,0,0,0|1,0,2]=4 168 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [0,0,1,0,0,0|1,0,2]=4 169 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [0,0,1,0,0,0|1,0,2]=4 170 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 CL8849 [0,0,1,0,0,0|1,0,2]=4 171 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 S12092 [0,0,1,0,0,0|1,0,2]=4 172 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 73977 [0,0,1,0,0,0|1,0,0]=2 173 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 AB3202 [0,0,1,0,0,0|1,0,2]=4 174 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 75611 [0,0,1,0,0,0|1,0,2]=4 175 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 AB3822 [0,0,1,0,0,0|1,0,2]=4 176 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 S10171 [0,0,1,0,0,0|1,0,2]=4 177 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 F16128 [0,0,1,0,0,0|1,0,2]=4 178 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 FD10490 [0,0,1,0,0,0|2,0,1]=4 179 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 30753 [0,0,1,0,0,0|2,0,1]=4 180 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C13412 [0,0,1,0,0,0|2,0,1]=4 181 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 28628 [0,0,1,0,0,0|1,0,0]=2 182 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 D73309 [0,0,1,0,0,0|1,0,0]=2 183 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 AC7821 [0,0,1,0,0,0|1,0,0]=2 184 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC7832 [0,0,1,0,0,0|1,0,0]=2 185 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 42496 [0,0,1,0,0,0|1,0,0]=2 186 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 FD10695 [0,0,1,0,0,0|2,0,1]=4 187 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 W18585 [0,0,1,0,0,0|2,0,1]=4 188 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 67010 [0,0,0,0,1,0|1,0,0]=2 189 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 23946 [0,0,0,0,1,0|2,0,1]=4 190 B12R2.3190 O=C(O)[C@@H]1CC2=C1C=CC=C2 67881 [0,0,0,0,1,0|0,0,2]=3 191 B14R2.768 O=C(O)CC1=CN2C=CC=CC2=N1 25910 [0,0,0,0,0,1|1,0,1]=3 192 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 71276 [0,0,0,0,0,1|1,0,0]=2 193 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 71084 [0,0,0,0,0,1|1,0,2]=4 194 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 D84581 [0,0,0,0,0,1|2,0,1]=4 195 B14R2.781 C=C(C)C1=CC2=CC=CC=C2C=C1 D91144 [0,0,0,0,0,1|3,0,0]=4 196 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 S12359 [0,0,0,0,0,1|2,0,0]=3 197 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 80290 [0,0,0,0,0,1|1,0,1]=3 198 B14R2.781 CC(=O)C1=CC2=CC=CN=C2C=C1 86453 [0,0,0,0,0,1|3,0,0]=4 199 B14R2.781 CC(=O)C1=NC2=CC=CC=C2N=C1 29587 [0,0,0,0,0,1|1,0,1]=3 200 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 S10612 [0,0,0,0,0,1|2,0,0]=3 201 B14R2.781 NC(=O)C1=CC2=CC=CN=C2C=C1 SC5119 [0,0,0,0,0,1|3,0,0]=4 202 B14R2.781 NC(=O)C1=NC2=CC=CC=C2N=C1 74826 [0,0,0,0,0,1|1,0,1]=3 203 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2C=C1 28635 [0,0,0,0,0,1|2,0,0]=3 204 B14R2.781 O=C(Cl)C1=NC2=CC=CC=C2C=C1 74144 [0,0,0,0,0,1|1,0,1]=3 205 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 78553 [0,0,0,0,0,1|1,0,0]=2 206 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 D77680 [0,0,0,0,0,1|1,0,0]=2 207 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 34013 [0,0,0,0,0,1|0,0,1]=2 208 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 82884 [0,0,0,0,0,1|0,0,1]=2 209 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 AC7621 [0,0,0,0,0,1|0,0,1]=2 210 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 65580 [0,0,0,0,0,1|0,0,1]=2 211 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 82707 [0,0,0,0,0,1|2,0,0]=3 212 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 25344 [0,0,0,0,0,1|2,0,0]=3 213 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 67526 [0,0,0,0,0,1|3,0,0]=4 214 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 23039 [0,0,0,0,0,1|0,0,1]=2 215 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CL1016 [0,0,0,0,0,1|0,0,1]=2 216 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 64544 [0,0,0,0,0,1|1,0,1]=3 217 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 11906 [0,0,0,0,0,1|0,0,2]=3 218 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 22847 [0,0,0,0,0,1|0,0,2]=3 219 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 29631 [0,0,0,0,0,1|0,0,2]=3 220 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 36675 [0,0,0,0,0,1|0,0,2]=3 221 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 88182 [0,0,0,0,0,1|0,0,2]=3 222 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CO1 D83358 [0,0,0,0,0,1|1,0,2]=4 223 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66617 [0,0,0,0,0,1|0,0,2]=3 224 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50343 [0,0,0,0,0,1|1,0,2]=4 225 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)C1 28819 [0,0,0,0,0,1|0,0,2]=3 226 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)C1 85681 [0,0,0,0,0,1|1,0,2]=4 227 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 26435 [0,0,0,0,0,1|1,0,2]=4 228 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60390 [0,0,0,0,0,1|1,0,2]=4 229 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 64508 [0,0,0,0,0,1|2,0,1]=4 230 B14R2.781 OB(O)C1=CC2=CC=CC=C2N=C1 33539 [0,0,0,0,0,1|1,0,2]=4 231 B11R1.40 C=CC(=O)NC1=CC=CC=C1 C10642 [1,0,1,0,0,0|2,0,0]=4 232 B11R1.40 C\C(=C/C1=CC=CC=C1)CO W13161 [1,0,1,0,0,0|1,0,1]=4 233 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 47226 [1,0,1,0,0,0|1,0,0]=3 234 B11R1.40 N\C(CC1=CC=CC=C1)=N\O W10704 [1,0,1,0,0,0|1,0,1]=4 235 B11R1.40 O=C\C(Br)=C/C1=CC=CC=C1 D88774 [1,0,1,0,0,0|1,0,0]=3 236 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [1,0,1,0,0,0|1,0,0]=3 238 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [1,0,1,0,0,0|1,0,0]=3 239 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [1,0,1,0,0,0|1,0,1]=4 240 B11R1.91 NC(=O)NNC1=CC=CC=C1 D91929 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [1,0,1,0,0,0|1,0,0]=3 242 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [1,0,1,0,0,0|1,0,0]=3 243 B11R1.91 O=C(O)C#CC1=CC=CC=C1 33950 [1,0,1,0,0,0|0,0,2]=4 244 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [1,0,1,0,0,0|0,0,2]=4 245 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [1,0,1,0,0,0|0,0,1]=3 246 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [1,0,1,0,0,0|1,0,1]=4 247 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [1,0,1,0,0,0|1,0,1]=4 248 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [1,0,1,0,0,0|0,0,0]=2 249 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 A10227 [1,0,1,0,0,0|1,0,0]=3 250 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 65474 [1,0,1,0,0,0|1,0,0]=3 251 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28919 [1,0,1,0,0,0|1,0,0]=3 252 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 C90173 [1,0,1,0,0,0|1,0,0]=3 253 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [1,0,1,0,0,0|0,0,1]=3 254 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [1,0,1,0,0,0|0,0,2]=4 255 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 77768 [1,0,1,0,0,0|1,0,1]=4 256 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 D72576 [1,0,1,0,0,0|1,0,1]=4 257 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 66480 [1,0,1,0,0,0|1,0,1]=4 258 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 77932 [1,0,1,0,0,0|1,0,0]=3 259 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C72544 [1,0,1,0,0,0|1,0,0]=3 260 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 33531 [2,0,0,0,0,0|2,0,0]=4 261 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 D83873 [2,0,0,0,0,0|2,0,0]=4 262 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CL3458 [2,0,0,0,0,0|2,0,0]=4 263 B11R2.10 CC1=CC2=C(C=CC=C2)C1 AC7927 [2,0,0,0,0,0|1,0,1]=4 264 B11R2.10 CC1=CC2=C(C=CC=C2)N1 63872 [2,0,0,0,0,0|0,0,1]=3 265 B11R2.10 CC1=CC2=C(C=CC=C2)S1 54483 [2,0,0,0,0,0|1,0,1]=4 266 B11R2.10 CC1=CC2=CC=CN=C2N1 68036 [2,0,0,0,0,0|1,0,1]=4 267 B11R2.10 CC1=NC2=C(C=CC=C2)N1 AC7835 [2,0,0,0,0,0|1,0,1]=4 268 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 78944 [2,0,0,0,0,0|2,0,0]=4 269 B11R2.10 FC1=CC2=C(C=CC=C2)N1 D80504 [2,0,0,0,0,0|1,0,0]=3 270 B11R2.10 IC1=CC2=C(N=CC=C2)N1 68996 [2,0,0,0,0,0|2,0,0]=4 271 B11R2.10 NC1=NC2=C(C=CC=C2)N1 W10172 [2,0,0,0,0,0|2,0,0]=4 272 B11R2.10 O=C1CC2=C(C=CC=C2)C1 F10966 [2,0,0,0,0,0|1,0,1]=4 273 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AB7349 [2,0,0,0,0,0|0,0,1]=3 274 B11R2.10 O=C1CC2=C(C=CC=C2)O1 L10016 [2,0,0,0,0,0|1,0,1]=4 275 B11R2.10 O=C1CC2=C(C=CC=N2)N1 SC3121 [2,0,0,0,0,0|1,0,1]=4 276 B11R2.10 O=C1CC2=C(C=NC=C2)N1 37301 [2,0,0,0,0,0|1,0,1]=4 277 B11R2.10 O=C1CC2=C(N=CC=C2)N1 36978 [2,0,0,0,0,0|1,0,1]=4 278 B11R2.10 O=C1CC2=C(N=CC=C2)N1 68461 [2,0,0,0,0,0|1,0,1]=4 279 B11R2.10 O=C1NC2=C(C=CC=C2)N1 F12393 [2,0,0,0,0,0|1,0,0]=3 280 B11R2.10 O=C1NC2=C(C=CC=C2)O1 AC8520 [2,0,0,0,0,0|1,0,0]=3 281 B11R2.10 O=C1NC2=C(C=CC=N2)O1 37400 [2,0,0,0,0,0|2,0,0]=4 282 B11R2.10 O=C1NC2=C(N=CC=C2)N1 24783 [2,0,0,0,0,0|2,0,0]=4 283 B11R2.10 O=C1OC2=C(C=CC=C2)O1 O11687 [2,0,0,0,0,0|2,0,0]=4 284 B11R2.10 OC1=CC2=C(N=CC=C2)N1 F18527 [2,0,0,0,0,0|1,0,0]=3 285 B11R2.10 OC1=NC2=C(C=CC=C2)S1 F14867 [2,0,0,0,0,0|1,0,1]=4 286 B11R2.10 OC1=NC2=C(C=NC=C2)N1 CS1977 [2,0,0,0,0,0|2,0,0]=4 287 B11R2.10 S=C1CC2=C(C=CC=C2)N1 F30120 [2,0,0,0,0,0|0,1,1]=4 288 B11R2.10 S=C1NC2=C(C=CC=C2)S1 D70518 [2,0,0,0,0,0|1,1,0]=4 289 B11R2.10 SC1=NC2=C(C=CC=C2)N1 W11093 [2,0,0,0,0,0|1,1,0]=4 290 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50113 [0,1,1,0,0,0|0,0,2]=4 291 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50212 [0,1,1,0,0,0|0,0,2]=4 292 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 F12350 [0,1,1,0,0,0|0,0,2]=4 293 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 D83235 [0,1,1,0,0,0|1,0,0]=3 294 B13R1.133 CC1=CC=C(SC(=O)C(=O)O)C=C1 D81344 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.133 C[C@H](NC1=CC=C(F)C=C1)C(=O)O D83320 [0,1,1,0,0,0|0,0,2]=4 296 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 F12222 [0,1,1,0,0,0|0,0,2]=4 297 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 F16190 [0,1,1,0,0,0|0,0,2]=4 298 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 H10530 [0,1,1,0,0,0|0,0,2]=4 299 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 56074 [0,1,1,0,0,0|0,0,2]=4 300 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 56076 [0,1,1,0,0,0|0,0,2]=4 301 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O O10645 [0,1,1,0,0,0|0,0,2]=4 302 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 57471 [0,1,1,0,0,0|0,0,2]=4 303 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O F16492 [0,1,1,0,0,0|0,0,2]=4 304 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N10776 [0,1,1,0,0,0|0,0,2]=4 305 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N10779 [0,1,1,0,0,0|0,0,2]=4 306 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 28339 [0,1,1,0,0,0|0,0,2]=4 307 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 73289 [0,1,1,0,0,0|0,0,2]=4 308 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 73296 [0,1,1,0,0,0|0,0,2]=4 309 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O N12221 [0,1,1,0,0,0|0,0,2]=4 310 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O O10208 [0,1,1,0,0,0|0,0,2]=4 311 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 33929 [0,1,1,0,0,0|0,0,2]=4 312 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 59301 [0,1,1,0,0,0|0,0,2]=4 313 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 59303 [0,1,1,0,0,0|0,0,2]=4 314 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 29002 [0,1,1,0,0,0|0,0,2]=4 315 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O AC2634 [0,1,1,0,0,0|0,0,2]=4 316 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O D70837 [0,1,1,0,0,0|0,0,2]=4 317 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 A50653 [0,1,1,0,0,0|1,0,1]=4 318 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 FD10465 [0,1,1,0,0,0|1,0,1]=4 319 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 W17418 [0,1,1,0,0,0|1,0,0]=3 320 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 83173 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 28520 [0,1,1,0,0,0|0,0,2]=4 322 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 30761 [0,1,1,0,0,0|0,0,2]=4 323 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 73273 [0,1,1,0,0,0|0,0,2]=4 324 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 A50210 [0,1,1,0,0,0|0,0,2]=4 325 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 F12207 [0,1,1,0,0,0|0,0,2]=4 326 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 F16402 [0,1,1,0,0,0|0,0,2]=4 327 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O 66913 [0,1,1,0,0,0|0,0,2]=4 328 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O 66915 [0,1,1,0,0,0|0,0,2]=4 329 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O 66919 [0,1,1,0,0,0|0,0,2]=4 330 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 23402 [0,1,1,0,0,0|0,0,2]=4 331 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 23533 [0,1,1,0,0,0|0,0,2]=4 332 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O 39322 [0,1,1,0,0,0|0,0,2]=4 333 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O 39323 [0,1,1,0,0,0|0,0,2]=4 334 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O 58264 [0,1,1,0,0,0|0,0,2]=4 335 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O 76518 [0,1,1,0,0,0|0,0,2]=4 336 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O 73302 [0,1,1,0,0,0|0,0,2]=4 337 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O 73322 [0,1,1,0,0,0|0,0,2]=4 338 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O 73326 [0,1,1,0,0,0|0,0,2]=4 339 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 D93353 [0,1,1,0,0,0|1,0,0]=3 340 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 63183 [0,1,1,0,0,0|0,0,2]=4 341 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 63184 [0,1,1,0,0,0|0,0,2]=4 342 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 N10801 [0,1,1,0,0,0|0,0,2]=4 343 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 56977 [0,1,1,0,0,0|0,0,2]=4 344 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A11662 [0,1,1,0,0,0|0,0,2]=4 345 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 34724 [0,1,1,0,0,0|0,0,2]=4 346 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O H10421 [0,1,1,0,0,0|0,0,2]=4 347 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N10780 [0,1,1,0,0,0|0,0,2]=4 348 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 61064 [0,1,1,0,0,0|0,0,2]=4 349 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 73308 [0,1,1,0,0,0|0,0,2]=4 350 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 73321 [0,1,1,0,0,0|0,0,2]=4 351 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O 34331 [0,1,1,0,0,0|0,0,2]=4 352 B13R1.418 N#C\C(=C\C1=CC=CC=C1)C(=O)O D89248 [0,1,1,0,0,0|0,0,1]=3 353 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 59353 [0,1,1,0,0,0|0,0,2]=4 354 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10779 [0,1,1,0,0,0|0,0,2]=4 355 B13R1.90 COC1=C(\C=C/C(=O)O)C=CC=C1 D85910 [0,1,1,0,0,0|1,0,0]=3 356 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 H10727 [0,1,1,0,0,0|1,0,0]=3 357 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 C11409 [0,1,1,0,0,0|1,0,1]=4 358 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 D81892 [0,1,1,0,0,0|1,0,0]=3 359 B13R1.164 CC1=CC(C)=C(C=CC(=O)O)C=C1 D94551 [0,1,1,0,0,0|1,0,0]=3 360 B13R1.164 O=C(O)C=CC1=C(Br)C=C(F)C=C1 D95685 [0,1,1,0,0,0|1,0,0]=3 361 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 CK1147 [0,1,1,0,0,0|1,0,0]=3 362 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 D71123 [0,1,1,0,0,0|1,0,0]=3 363 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 22273 [0,1,1,0,0,0|1,0,0]=3 364 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 CK2541 [0,1,1,0,0,0|1,0,0]=3 365 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 CK1148 [0,1,1,0,0,0|1,0,0]=3 366 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 D72623 [0,1,1,0,0,0|1,0,0]=3 367 B13R1.528 COC(=O)\C=C\C1=C(Cl)C=CC=C1 AR3005 [0,1,1,0,0,0|1,0,0]=3 368 B13R1.528 COC(=O)\C=C\C1=C(F)C=CC=C1 D84598 [0,1,1,0,0,0|1,0,0]=3 369 B13R1.893 CC1=CC(\C=C\C(=O)O)=C(C)C=C1 S10887 [0,1,1,0,0,0|1,0,0]=3 370 B13R1.893 O=C(O)\C=C\C1=C(Cl)C=CC(Cl)=C1 D90226 [0,1,1,0,0,0|1,0,0]=3 371 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 N11792 [0,1,1,0,0,0|1,0,0]=3 372 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 CK2545 [0,1,1,0,0,0|1,0,0]=3 373 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl AC1117 [0,1,1,0,0,0|1,0,0]=3 374 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F CK2543 [0,1,1,0,0,0|1,0,0]=3 375 B13R2.26 OCCC1=CC2=C(C=CC=C2)S1 C90449 [1,1,0,0,0,0|1,0,1]=4 376 B13R2.43 CC1=CC2=C(C=C1)SC(CO)=C2 71536 [1,1,0,0,0,0|1,0,1]=4 377 B13R2.43 CC1=CC2=NC(C=O)=CN2C=C1 70919 [1,1,0,0,0,0|1,0,1]=4 378 B13R2.43 N#CC1=CC2=C(C=CC(Br)=C2)N1 26672 [1,1,0,0,0,0|1,0,1]=4 379 B13R2.43 NC1=CC2=C(C=C1)NC(CO)=N2 AC1103 [1,1,0,0,0,0|1,0,1]=4 380 B13R2.43 NCC1=CC2=C(C=CC(Cl)=C2)N1 O10125 [1,1,0,0,0,0|1,0,1]=4 381 B13R2.43 O=CC1=CC2=C(C=CC(Cl)=C2)N1 71615 [1,1,0,0,0,0|0,0,0]=2 382 B13R2.43 OCC1=CC2=C(C=C(F)C=C2)N1 P20212 [1,1,0,0,0,0|0,0,1]=3 383 B13R2.43 OCC1=CC2=C(C=CC(Br)=C2)N1 W16313 [1,1,0,0,0,0|0,0,1]=3 384 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)N1 P16460 [1,1,0,0,0,0|0,0,1]=3 385 B13R2.43 OCC1=NC2=C(C=C(F)C=C2)N1 D75880 [1,1,0,0,0,0|1,0,1]=4 386 B13R2.43 OCC1=NC2=C(C=CC(Br)=C2)N1 F50181 [1,1,0,0,0,0|1,0,1]=4 387 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 D70515 [1,1,0,0,0,0|1,0,0]=3 388 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 77870 [1,1,0,0,0,0|0,0,0]=2 389 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 F30050 [1,1,0,0,0,0|1,0,0]=3 390 B13R2.45 O=C1C2=C(C=CC=C2)C\C1=N\O 67544 [1,1,0,0,0,0|2,0,0]=4 391 B13R2.45 O=CC1=C(Br)C2=NC=CC=C2S1 79501 [1,1,0,0,0,0|2,0,0]=4 392 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)N1 W10341 [1,1,0,0,0,0|0,0,0]=2 393 B13R2.45 OCC1=C(Cl)C2=C(C=CC=C2)S1 71427 [1,1,0,0,0,0|1,0,1]=4 394 B13R2.54 O=CC1=CC2=CC=CC(Br)=C2N1 D82540 [1,1,0,0,0,0|0,0,0]=2 395 B13R2.54 O=CC1=CN2C(Br)=CC=CC2=N1 50617 [1,1,0,0,0,0|1,0,1]=4 396 B13R2.54 O=CC1=CN2C=CC=C(Br)C2=N1 66481 [1,1,0,0,0,0|1,0,1]=4 397 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 H11200 [0,1,0,0,1,0|1,0,0]=3 398 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 68999 [0,1,0,0,1,0|1,0,0]=3 399 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 56953 [0,1,0,0,1,0|1,0,0]=3 400 B13R2.3678 O=C(O)C1=CC2=C(S1)C(Br)=CS2 AC2141 [0,1,0,0,1,0|2,0,0]=4 401 B15R2.1569 COC(=O)CC1=NC2=C(C=CC=C2)O1 69164 [0,1,0,0,0,1|1,0,1]=4 402 B15R2.627 CC(=O)C1=C(O)C2=CC=CC=C2C=C1 D70322 [0,1,0,0,0,1|2,0,0]=4 403 B15R2.627 NC1=C(C(=O)O)C=CC2=CC=CC=C21 27610 [0,1,0,0,0,1|1,0,0]=3 404 B15R2.627 O=C(O)C1=C(Br)C2=CC=CC=C2C=C1 F14955 [0,1,0,0,0,1|1,0,0]=3 405 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 D70638 [0,1,0,0,0,1|1,0,0]=3 406 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 W10229 [0,1,0,0,0,1|0,0,1]=3 407 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O 69805 [0,1,0,0,0,1|1,0,1]=4 408 B15R2.627 O=C(O)C1=CNC2=C(C=CC=C2)C1=O 80964 [0,1,0,0,0,1|0,0,0]=2 409 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O D78193 [0,1,0,0,0,1|2,0,0]=4 410 B15R2.984 CC1=NC2=CC=NC=C2C=C1C(=O)O W12259 [0,1,0,0,0,1|1,0,1]=4 411 B15R2.984 CN1CC2=C(C=CC=C2)C[C@H]1C(=O)O S12154 [0,1,0,0,0,1|0,0,2]=4 412 B15R2.984 NC1=CC2=CC=CC=C2C=C1C(=O)O F20401 [0,1,0,0,0,1|1,0,0]=3 413 B15R2.984 NC1=NC2=CC=CC=C2N=C1C(=O)O D82125 [0,1,0,0,0,1|0,0,1]=3 414 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)NC1=O P10186 [0,1,0,0,0,1|0,0,0]=2 415 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O 90275 [0,1,0,0,0,1|1,0,0]=3 416 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O D77800 [0,1,0,0,0,1|1,0,0]=3 417 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1Cl 73800 [0,1,0,0,0,1|0,0,1]=3 418 B15R2.984 O=C(O)C1=CC2=CC=CC=C2N=C1O 62383 [0,1,0,0,0,1|0,0,1]=3 419 B15R2.984 O=C(O)[C@@H]1OC2=C(C=CC=C2)NC1=O 77347 [0,1,0,0,0,1|1,0,1]=4 420 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=C1 H11325 [0,1,0,0,0,1|1,0,0]=3 421 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 64350 [0,1,0,0,0,1|0,0,1]=3 422 B15R2.1601 COC(=O)C1=CC2=CC=CN=C2C=C1 63112 [0,1,0,0,0,1|2,0,0]=4 423 B15R2.1601 COC(=O)C1=CC2=CC=NC=C2C=C1 72151 [0,1,0,0,0,1|2,0,0]=4 424 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 C73740 [0,1,0,0,0,1|0,0,1]=3 425 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 20352 [0,1,0,0,0,1|0,0,2]=4 426 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 20353 [0,1,0,0,0,1|0,0,2]=4 427 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 69632 [0,1,0,0,0,1|0,0,2]=4 428 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 69676 [0,1,0,0,0,1|0,0,2]=4 429 B15R2.1601 NNC(=O)C1=NC2=CC=CC=C2N=C1 D94314 [0,1,0,0,0,1|1,0,1]=4 430 B15R2.1601 N\C(=N/O)C1=CC2=CC=CC=C2C=C1 W10705 [0,1,0,0,0,1|2,0,0]=4 431 B15R2.1601 O=C(CBr)C1=CC2=CC=CC=C2C=C1 73953 [0,1,0,0,0,1|2,0,0]=4 432 B15R2.4441 O=S(=O)(O)C1=CC2=CC=CC=C2C=C1 AT25159 [0,1,0,0,0,1|2,0,0]=4 433 B15R2.7174 CC(=O)C1=CN=C2C=CC(Br)=CC2=C1 D93359 [0,1,0,0,0,1|1,0,1]=4 434 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1 C15706 [0,1,0,0,0,1|1,0,0]=3 435 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C16444 [0,1,0,0,0,1|1,0,0]=3 436 B15R2.7174 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1 69442 [0,1,0,0,0,1|0,0,1]=3 437 B15R2.7174 O=C(O)C1=CN=C2C=CC(F)=CC2=C1 69440 [0,1,0,0,0,1|0,0,1]=3 438 B15R2.7174 O=C(O)[C@@H]1CC2=C(C=CC(O)=C2)CN1 62244 [0,1,0,0,0,1|0,0,2]=4 439 B15R2.7174 O=C(O)[C@@H]1CNC2=C(C=C(Br)C=C2)O1 77355 [0,1,0,0,0,1|1,0,1]=4 440 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 35345 [0,1,0,0,0,1|2,0,0]=4 441 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=C1 D70318 [0,1,0,0,0,1|1,0,0]=3 442 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 P16614 [0,1,0,0,0,1|1,0,0]=3 443 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 F13882 [0,1,0,0,0,1|1,0,0]=3 444 B15R2.7180 O=C(O)C1=CN=C2C=C(Cl)C=CC2=C1 69424 [0,1,0,0,0,1|0,0,1]=3 445 B15R2.7180 O=C(O)[C@@H]1CC2=C(C=C(O)C=C2)CN1 76414 [0,1,0,0,0,1|0,0,2]=4 446 B15R2.7180 O=C1C=CC2=C(C=CC(C(=O)O)=C2)O1 86775 [0,1,0,0,0,1|2,0,0]=4 447 B15R2.13598 O=C(O)C1=CC=C2C(Br)=CC=CC2=C1 69006 [0,1,0,0,0,1|1,0,0]=3 448 B15R2.13598 O=C(O)C1=CN=C2C(Br)=CC=CC2=C1 69455 [0,1,0,0,0,1|0,0,1]=3 449 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 S10677 [0,1,0,0,0,1|1,0,0]=3 450 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 S12153 [0,1,0,0,0,1|0,0,1]=3 451 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(Br)C2=N1 80322 [0,1,0,0,0,1|0,0,1]=3 452 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(F)C2=N1 80299 [0,1,0,0,0,1|0,0,1]=3 453 B15R2.61353 O=C(O)C1=CC=C2N=CC=C(Br)C2=C1 80302 [0,1,0,0,0,1|2,0,0]=4 454 B15R2.61353 O=C(O)C1=NC2=C(O)C=CC=C2C=C1 F13965 [0,1,0,0,0,1|0,0,1]=3 455 B15R2.1592 COC(=O)C1=C(Br)C2=C(C=CC=C2)N1 29928 [0,2,0,0,0,0|0,0,0]=2 456 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)S1 D81976 [0,2,0,0,0,0|1,0,0]=3 457 B15R2.1592 COC(=O)C1=C(N)C2=C(N=CC=C2)O1 D83377 [0,2,0,0,0,0|2,0,0]=4 458 B15R2.1592 COC(=O)C1=C(N)C2=CC=CN=C2S1 F30465 [0,2,0,0,0,0|2,0,0]=4 459 B15R2.7203 CC1=C(C(=O)O)SC2=C1C=C(Cl)C=C2 84393 [0,2,0,0,0,0|1,0,0]=3 460 B15R2.13463 O=C(O)C1=C(O)C2=CC=CC(Cl)=C2S1 D82825 [0,2,0,0,0,0|1,0,0]=3 461 B15R2.14758 CC1=C(C(=O)O)SC2=C1C=CC(Cl)=C2 84512 [0,2,0,0,0,0|1,0,0]=3 462 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 75800 [0,2,0,0,0,0|1,0,0]=3 463 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(Cl)=C2 F52624 [0,2,0,0,0,0|0,0,0]=2 464 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(F)=C2 F14736 [0,2,0,0,0,0|0,0,0]=2 465 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 33845 [0,2,0,0,0,0|0,0,0]=2 466 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 24072 [0,2,0,0,0,0|1,0,0]=3 467 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)S1 82599 [0,2,0,0,0,0|1,0,0]=3 468 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=N2)N1 54327 [0,2,0,0,0,0|1,0,0]=3 469 B15R2.1356 CCOC(=O)C1=CC2=C(C=CN=C2)N1 82837 [0,2,0,0,0,0|1,0,0]=3 470 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)N1 74366 [0,2,0,0,0,0|1,0,0]=3 471 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 65803 [0,2,0,0,0,0|1,0,1]=4 472 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)N1 53618 [0,2,0,0,0,0|1,0,0]=3 473 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 53218 [0,2,0,0,0,0|1,0,1]=4 474 B15R2.1356 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)N1 20755 [0,2,0,0,0,0|0,0,2]=4 475 B15R2.1356 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)N1 49199 [0,2,0,0,0,0|0,0,2]=4 476 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)N1 83043 [0,2,0,0,0,0|0,0,0]=2 477 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)S1 CS1251 [0,2,0,0,0,0|1,0,0]=3 478 B15R2.1590 COC(=O)C1=CC2=C(C=C(C)C=C2)S1 79466 [0,2,0,0,0,0|1,0,0]=3 479 B15R2.1590 COC(=O)C1=CC2=C(C=C(F)C=C2)N1 P20354 [0,2,0,0,0,0|0,0,0]=2 480 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)N1 33928 [0,2,0,0,0,0|0,0,0]=2 481 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)S1 FD7324 [0,2,0,0,0,0|1,0,0]=3 482 B15R2.1590 COC(=O)C1=CC2=C(C=CC(C)=C2)N1 D83698 [0,2,0,0,0,0|0,0,0]=2 483 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 59972 [0,2,0,0,0,0|0,0,0]=2 484 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Cl)=N2)N1 P17864 [0,2,0,0,0,0|1,0,0]=3 485 B15R2.1590 COC(=O)C1=CC2=C(C=CC(N)=C2)S1 29730 [0,2,0,0,0,0|1,0,0]=3 486 B15R2.1590 COC(=O)C1=CC2=C(N=C(Cl)C=C2)N1 37265 [0,2,0,0,0,0|1,0,0]=3 487 B15R2.1590 COC(=O)C1=CN2C=C(Br)C=CC2=N1 78742 [0,2,0,0,0,0|1,0,1]=4 488 B15R2.1590 COC(=O)C1=NC2=C(C=C(C)C=C2)S1 72820 [0,2,0,0,0,0|1,0,1]=4 489 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2S1 P10451 [0,2,0,0,0,0|1,0,0]=3 490 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2S1 83317 [0,2,0,0,0,0|2,0,0]=4 491 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CC=C2N1 F52674 [0,2,0,0,0,0|0,0,0]=2 492 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CN=C2N1 81256 [0,2,0,0,0,0|1,0,0]=3 493 B15R2.1598 COC(=O)C1=CC2=C(N=CN=C2Cl)N1 37092 [0,2,0,0,0,0|2,0,0]=4 494 B15R2.1598 COC(=O)C1=CC2=CC=CC(Br)=C2S1 P10660 [0,2,0,0,0,0|1,0,0]=3 495 B15R2.1102 O=C(O)C1=CC2=CC(F)=C(F)C=C2N1 22508 [0,2,0,0,0,0|0,0,0]=2 496 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 64208 [0,2,0,0,0,0|0,0,0]=2 497 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 33344 [0,2,0,0,0,0|0,0,0]=2 498 B15R2.4834 COC1=CC2=C(C=C1)OC(C(=O)O)=C2 95739 [0,2,0,0,0,0|1,0,0]=3 499 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 24330 [0,2,0,0,0,0|1,0,0]=3 500 B15R2.7254 O=C(O)C1=CC2=C(C=CC(Cl)=C2F)N1 51745 [0,2,0,0,0,0|0,0,0]=2 501 B15R2.15633 O=C(O)C1=CC2=C(Cl)C=C(Cl)C=C2N1 60232 [0,2,0,0,0,0|0,0,0]=2 502 B15R2.15633 O=C(O)C1=CC2=C(F)C=C(F)C=C2N1 24485 [0,2,0,0,0,0|0,0,0]=2 503 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 60496 [0,2,0,0,0,0|0,0,0]=2 504 B15R2.20824 COC1=CC=CC2=C1C=C(C(=O)O)N2 29342 [0,2,0,0,0,0|0,0,0]=2 505 B15R2.20824 COC1=CC=CC2=C1OC(C(=O)O)=C2 28399 [0,2,0,0,0,0|1,0,0]=3 506 B13R2.369 CC1=CC2=CC=CC=C2C=C1O D82548 [0,0,1,1,0,0|2,0,0]=4 507 B13R2.369 NC1=CC2=CC=CC=C2C=C1N F16066 [0,0,1,1,0,0|2,0,0]=4 508 B13R2.369 NC1=CC2=CC=CC=C2C=C1O CX1064 [0,0,1,1,0,0|1,0,0]=3 509 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 F11438 [0,0,1,1,0,0|2,0,0]=4 510 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 26394 [0,0,1,1,0,0|1,0,1]=4 511 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 71093 [0,0,1,1,0,0|1,0,1]=4 512 B13R2.72 O=C(O)C1=CN=C2C=CC=CN12 24784 [0,0,1,1,0,0|1,0,0]=3 513 B13R2.72 O=C(O)C1=CN=C2N=CC=CN12 W10235 [0,0,1,1,0,0|2,0,0]=4 514 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 23500 [0,0,1,1,0,0|2,0,0]=4 515 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 C80096 [0,0,1,1,0,0|2,0,0]=4 516 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 53678 [0,0,1,1,0,0|2,0,0]=4 517 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 26030 [0,0,1,1,0,0|1,0,1]=4 518 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 25280 [0,0,1,1,0,0|1,0,1]=4 519 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 62506 [0,0,1,1,0,0|2,0,0]=4 520 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 52670 [0,0,1,1,0,0|2,0,0]=4 521 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 33881 [0,0,1,1,0,0|2,0,0]=4 522 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 68029 [0,0,1,1,0,0|2,0,0]=4 523 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 80700 [0,0,1,1,0,0|1,0,1]=4 524 B13R2.5569 O=C(O)C1=C2C=CNC2=CC=C1 69933 [0,0,1,1,0,0|2,0,0]=4 525 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 33956 [0,0,1,1,0,0|2,0,0]=4 526 B13R2.5569 O=C(O)C1=CC=CC2=C1C=CS2 RB3274 [0,0,1,1,0,0|2,0,0]=4 527 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 74369 [0,0,1,1,0,0|1,0,0]=3 528 B13R2.5569 O=C(O)C1=CC=CC2=NC=CN12 C71669 [0,0,1,1,0,0|1,0,0]=3 529 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 S12165 [0,0,1,0,1,0|1,0,1]=4 530 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 54790 [0,0,1,0,1,0|0,0,0]=2 531 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 F11432 [0,0,1,0,1,0|2,0,0]=4 532 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 65110 [0,0,1,0,1,0|0,0,2]=4 533 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 65112 [0,0,1,0,1,0|0,0,2]=4 534 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 F13477 [0,0,1,0,1,0|0,0,2]=4 535 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 30968 [0,0,1,0,1,0|1,0,1]=4 536 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 O10163 [0,0,1,0,1,0|1,0,1]=4 537 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 S10736 [0,0,1,0,1,0|1,0,1]=4 538 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 F10879 [0,0,1,0,1,0|1,0,1]=4 539 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 73306 [0,0,1,0,1,0|0,0,1]=3 540 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 D70539 [0,0,1,0,1,0|0,0,1]=3 541 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 O10164 [0,0,1,0,1,0|0,0,1]=3 542 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 65592 [0,0,1,0,1,0|1,0,1]=4 543 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 S11007 [0,0,1,0,1,0|1,0,0]=3 544 B11R1.36 O=C(O)[C@H](Br)C1=CC=CC=C1 54490 [0,0,1,0,1,0|1,0,1]=4 545 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 S11957 [0,0,1,0,1,0|1,0,1]=4 546 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 24604 [0,0,1,0,1,0|1,0,1]=4 547 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D70151 [0,0,1,0,1,0|1,0,1]=4 548 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 H10022 [0,0,1,0,1,0|2,0,0]=4 549 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 A51039 [0,0,1,0,1,0|1,0,1]=4 550 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 AC7922 [0,0,1,0,1,0|2,0,0]=4 551 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 AB11465 [0,0,1,0,1,0|2,0,0]=4 552 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 N10407 [0,0,1,0,1,0|2,0,0]=4 553 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 O11987 [0,0,1,0,1,0|2,0,0]=4 554 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 D71087 [0,0,1,0,1,0|0,0,2]=4 555 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 D92396 [0,0,1,0,1,0|1,0,1]=4 556 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 33477 [0,0,1,0,1,0|0,0,1]=3 557 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 77879 [0,0,1,0,1,0|1,0,1]=4 558 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 21738 [0,0,1,0,1,0|1,0,1]=4 559 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 D87878 [0,0,1,0,1,0|1,0,1]=4 560 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 36874 [0,0,1,0,1,0|1,0,1]=4 561 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 33450 [0,0,1,0,1,0|1,0,1]=4 562 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 28901 [0,0,1,0,1,0|1,0,1]=4 563 B11R2.15 O=CC1=CC2=C(C=CS2)S1 74158 [1,0,0,0,1,0|2,0,0]=4 564 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 50990 [0,0,1,0,0,1|0,0,2]=4 565 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 F12089 [0,0,1,0,0,1|0,0,2]=4 566 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10310 [0,0,1,0,0,1|0,0,2]=4 567 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28665 [0,0,1,0,0,1|0,0,2]=4 568 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28667 [0,0,1,0,0,1|0,0,2]=4 569 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 31133 [0,0,1,0,0,1|0,0,2]=4 570 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 62300 [0,0,1,0,0,1|0,0,2]=4 571 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O FD21309 [0,0,1,0,0,1|0,0,2]=4 572 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 C10644 [0,0,1,0,0,1|1,0,1]=4 573 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 F10485 [1,0,0,0,0,1|2,0,0]=4 574 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 F10439 [1,0,0,0,0,1|1,0,0]=3 575 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 F10988 [1,0,0,0,0,1|1,0,0]=3 576 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 82885 [1,0,0,0,0,1|0,0,1]=3 577 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 33020 [1,0,0,0,0,1|0,0,1]=3 578 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 BL003256 [1,0,0,0,0,1|2,0,0]=4 579 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 77951 [1,0,0,0,0,1|0,0,1]=3 580 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 24419 [1,0,0,0,0,1|0,0,1]=3 581 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 D95017 [1,0,0,0,0,1|1,0,1]=4 582 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 62932 [1,0,0,0,0,1|1,0,1]=4 583 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 26152 [1,0,0,0,0,1|0,0,2]=4 584 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 F30201 [1,0,0,0,0,1|0,0,2]=4 585 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)N1 22831 [0,0,0,0,0,2|1,0,0]=3 586 B15R2.1660 O=C(O)CSC1=NC2=C(C=CC=C2)S1 74952 [0,0,0,0,0,2|1,0,1]=4 587 B15R2.1668 CC(=O)CC1=NC2=CC=CC=C2C=C1 D81627 [0,0,0,0,0,2|1,0,1]=4 588 B15R2.1668 O=C(Cl)CC1=CC2=CC=CC=C2C=C1 30098 [0,0,0,0,0,2|2,0,0]=4 589 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 28551 [0,0,0,0,0,2|1,0,0]=3 590 B15R2.1668 O=C(O)CC1=CC2=CC=CN=C2C=C1 BL006181 [0,0,0,0,0,2|2,0,0]=4