0 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [0,0,0,0,0,0|3,0,0]=3 1 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 2700AJ [0,0,0,0,0,0|4,0,0]=4 2 B11R1.21 NC(=O)C1=CC(Br)=C(N)N=C1 9821AC [0,0,0,0,0,0|4,0,0]=4 3 B11R1.21 NC(=S)C1=CC(Cl)=C(F)C=C1 3592AD [0,0,0,0,0,0|3,1,0]=4 4 B11R1.21 O=C(Cl)C1=CC=C(F)C(Br)=C1 V0688 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [1,0,0,0,0,0|2,0,1]=4 6 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 NC1=CC=C(B(O)O)C=C1 9495AJ [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [1,0,0,0,0,0|1,0,0]=2 10 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [1,0,0,0,0,0|2,0,1]=4 13 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [1,0,0,0,0,0|2,0,1]=4 14 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [1,0,0,0,0,0|2,0,0]=3 15 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 0431AA [1,0,0,0,0,0|2,0,1]=4 16 B10R1.176 C=CC1=CC=C(O)C(O)=C1 9031AB [1,0,0,0,0,0|1,0,0]=2 17 B10R1.176 CC1=C(F)C=C(CO)C=C1 6496AD [1,0,0,0,0,0|2,0,1]=4 18 B10R1.176 CSC1=CC=C(C)C(O)=C1 Y3611 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.176 CSC1=CC=C(F)C(O)=C1 Y3947 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.176 NC1=CC(C=O)=CC=C1Cl Y6396 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.176 OCC1=CC(S)=C(O)C=N1 Y3275 [1,0,0,0,0,0|1,1,1]=4 22 B12R1.23 NC1=C(Cl)C=C(S(=O)(=O)O)C=C1 6885AC [0,1,0,0,0,0|3,0,0]=4 23 B12R1.23 NC1=C(O)C=CC([As](=O)(O)O)=C1 7679AF [0,1,0,0,0,0|2,0,0]=3 24 B12R1.23 NC1=CC=C(S(=O)(=O)O)C=C1O 2172AB [0,1,0,0,0,0|2,0,0]=3 25 B12R1.23 O=S(=O)(O)C1=CC(Cl)=C(Cl)C=C1 7601AF [0,1,0,0,0,0|3,0,0]=4 26 B12R1.48 CNC1=C(C)C=C(C(=O)O)C=C1 2341AJ [0,1,0,0,0,0|2,0,0]=3 27 B12R1.48 CSC1=CC=C(C(=O)O)C=C1Cl Y3816 [0,1,0,0,0,0|1,1,0]=3 28 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C Z0137 [0,1,0,0,0,0|2,1,0]=4 29 B12R1.48 N#CC1=CC=C(C(=O)O)C=C1Br Y9535 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.56 CC(=O)C1=CC=C(O)C(C#N)=C1 5077AB [0,1,0,0,0,0|2,0,0]=3 31 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 7565AD [0,1,0,0,0,0|2,0,0]=3 32 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] 0628AP [0,1,0,0,0,0|1,0,2]=4 33 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1N Y9468 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=C1 Y9297 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.232 O=C(Cl)C1=CC(F)=C(Cl)C=C1Cl F205 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Br 8946AA [0,1,0,0,0,0|2,0,0]=3 37 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=C1 X5465 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 V1638 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 4663AE [0,1,0,0,0,0|1,0,1]=3 40 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 2595AH [0,1,0,0,0,0|1,0,1]=3 41 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 2825AH [0,1,0,0,0,0|1,0,1]=3 42 B12R1.367 O=C(CBr)C1=CC=C(Cl)C(Br)=C1 4999AH [0,1,0,0,0,0|3,0,0]=4 43 B12R1.367 O=C(CBr)C1=CC=C(F)C(F)=C1 Y9035 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 W2004 [0,1,0,0,0,0|0,0,2]=3 45 B12R1.893 CC(=O)C1=CC=C(C)C(C)=C1N Y7597 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.893 CC1=C(O)C(O)=CC=C1C(=O)O 8636AA [0,1,0,0,0,0|0,0,0]=1 47 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Cl)C=C1 7028AB [0,1,0,0,0,0|2,0,0]=3 48 B12R1.1005 NC1=C(I)C=C(C(=O)O)C=C1Br X5454 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(Br)=C1 X3252 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 0035AP [0,0,0,0,0,1|1,0,0]=2 51 B12R1.19 CC(=O)CC1=CC=C(O)C(O)=C1 1952AB [0,0,0,0,0,1|1,0,0]=2 52 B9R1.1 C=CC1=CC=C(N)C=C1 2121AA [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|2,0,0]=4 57 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [2,0,0,0,0,0|1,0,0]=3 59 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [2,0,0,0,0,0|1,0,0]=3 60 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [2,0,0,0,0,0|0,0,1]=3 61 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [2,0,0,0,0,0|0,0,1]=3 62 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [2,0,0,0,0,0|0,0,1]=3 63 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [2,0,0,0,0,0|0,0,1]=3 64 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.2 C=CC1=CC(N)=CC=C1 1464AC [2,0,0,0,0,0|2,0,0]=4 66 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [2,0,0,0,0,0|1,0,0]=3 67 B9R1.69 CC1=CC=C(N)C=C1O I725 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.69 NC1=CC=C(I)C=C1O 7023AC [2,0,0,0,0,0|2,0,0]=4 69 B9R1.69 NC1=CC=C(O)C(O)=C1 5570AA [2,0,0,0,0,0|1,0,0]=3 70 B9R1.69 OC1=C(Cl)C=C(Cl)C=C1 8996AJ [2,0,0,0,0,0|2,0,0]=4 71 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 7598AF [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 OC1=CC(I)=C(I)C=C1 4595AA [2,0,0,0,0,0|2,0,0]=4 73 B11R1.3 COC1=CC=C(C(=N)N)C=C1 1267AB [1,1,0,0,0,0|2,0,0]=4 74 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X8700 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.19 CS(=N)(=O)C1=CC=C(O)C=C1 9067AJ [1,1,0,0,0,0|2,0,0]=4 76 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 2406AC [1,1,0,0,0,0|2,0,0]=4 77 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5122AF [1,1,0,0,0,0|1,0,1]=4 78 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5123AF [1,1,0,0,0,0|1,0,1]=4 79 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5124AF [1,1,0,0,0,0|1,0,1]=4 80 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X8846 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 7791AL [1,1,0,0,0,0|1,0,1]=4 82 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [1,1,0,0,0,0|1,0,1]=4 83 B11R1.22 O\N=C(/Cl)C1=CC=C(F)C=C1 9588AJ [1,1,0,0,0,0|2,0,0]=4 84 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 5297AL [1,1,0,0,0,0|1,0,0]=3 86 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [1,1,0,0,0,0|1,0,0]=3 87 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 Q822 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [1,1,0,0,0,0|2,0,0]=4 89 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 1099AL [1,1,0,0,0,0|1,0,1]=4 90 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 8390AJ [1,1,0,0,0,0|1,0,0]=3 91 B11R1.155 CC(C)(O)C1=CC(O)=CC=C1 Z5119 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 9418AF [1,1,0,0,0,0|1,0,0]=3 93 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 3818AA [1,1,0,0,0,0|2,0,0]=4 94 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 7841AF [1,1,0,0,0,0|1,0,0]=3 95 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 9628AJ [1,1,0,0,0,0|2,0,0]=4 96 B11R1.266 NC(=O)C1=CC=CC(N=O)=C1 E040 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [1,1,0,0,0,0|2,0,0]=4 98 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 W5898 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.266 O=C(O)C1=CC(CBr)=NC=C1 1253AJ [1,1,0,0,0,0|2,0,0]=4 100 B11R1.14 CC1=CC(C=O)=CC(C)=C1Cl Z0653 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.14 CC1=CC(N=O)=CC(C)=C1O P360 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.14 O=CC1=CC(Cl)=C(O)C(Br)=C1 Z0301 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.14 O=CC1=CC(Cl)=C(O)C(F)=C1 3731AC [1,1,0,0,0,0|1,0,0]=3 104 B11R1.14 O=CC1=CC(F)=C(I)C(F)=C1 Z0542 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.192 O\N=C\C1=CC=C(Cl)C(Cl)=C1 5069AE [1,1,0,0,0,0|2,0,0]=4 106 B11R1.277 CC1=CC(N=O)=C(C)C=C1O X5506 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.277 CC1=CC(O)=C(C=O)C=C1Br 9930AL [1,1,0,0,0,0|2,0,0]=4 108 B11R1.278 CC1=C(C)C(N=O)=CC=C1O Y9995 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.278 CC1=C(F)C(C=O)=CC=C1Cl Z1507 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.279 CSC1=CC=C(C=O)C=C1F Z0284 [1,1,0,0,0,0|1,1,0]=4 111 B11R1.280 C=CC1=CC(C=C)=C(O)C=C1 S159 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.280 CSC1=CC(C=O)=CC=C1C Z0499 [1,1,0,0,0,0|1,1,0]=4 113 B13R1.52 CC1=CC=C(CC(=O)O)C=C1C#N 5063AA [0,1,0,0,0,1|2,0,0]=4 114 B13R1.510 NC(C(=O)O)C1=CC(Cl)=C(F)C=C1 8653AD [0,1,0,0,0,1|2,0,0]=4 115 B13R1.3528 CC1=C(F)C(F)=C(CC(=O)O)C=C1 8678AD [0,1,0,0,0,1|2,0,0]=4 116 B13R1.50 COC1=CC(S(=O)(=O)[O-])=CC=C1O 8855AL [0,2,0,0,0,0|1,0,1]=4 117 B13R1.3088 CNC1=C(C)C=C(C(=O)OC)C=C1 2343AJ [0,2,0,0,0,0|2,0,0]=4 118 B13R1.3380 CC1=CC(C(=O)O)=CC(C)=C1C=O Z2876 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.3380 CSC1=C(F)C=C(C(=O)O)C=C1F Z0112 [0,2,0,0,0,0|1,1,0]=4 120 B13R1.49 COC1=C(O)C=CC(C(=O)NN)=C1 7150AC [0,2,0,0,0,0|1,0,0]=3 121 B13R1.3230 COC1=C(F)C(C(=O)O)=CC=C1F X4334 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.2398 COC1=CC(Br)=C(Cl)C=C1C(=O)O A656 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.2398 COC1=CC(C)=C(S)C=C1C(=O)O 3345AH [0,2,0,0,0,0|1,1,0]=4 124 B13R1.2811 CC1=C(Br)C=C(C(=O)O)C(Br)=C1C Z2455 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.2811 O=C(O)C1=C(Cl)C(Cl)=C(Cl)C(O)=N1 1414AC [0,2,0,0,0,0|2,0,0]=4 126 B13R1.2811 O=C(O)C1=CC(F)=C(F)C(Br)=C1F U034 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.2811 O=C(O)C1=CC(O)=C(Cl)C(F)=C1F Z0825 [0,2,0,0,0,0|1,0,0]=3 128 B13R1.2812 NC1=C(C(=O)O)C(F)=C(F)C(F)=C1 3404AJ [0,2,0,0,0,0|2,0,0]=4 129 B13R1.2812 O=C(O)C1=C(Br)C=C(Br)C(O)=C1Br 3241AH [0,2,0,0,0,0|1,0,0]=3 130 B13R1.331 COC(CO)C1=CC=C(O)C(O)=C1 W2006 [0,2,0,0,0,0|0,0,2]=4 131 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 O387 [0,2,0,0,0,0|1,0,1]=4 132 B13R1.466 CNC[C@@H](O)C1=CC(O)=C(O)C=C1 X3518 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.53 O=C(O)C1=C([Hg]O)C=CC=C1 7844AF [0,0,1,1,0,0|2,0,0]=4 134 B11R1.81 O\N=C\C1=CC=C(O)C=C1O H019 [0,0,1,1,0,0|2,0,0]=4 135 B13R2.13083 CC1=C(Cl)C=C2NC(=O)OC2=C1 Y7198 [0,0,0,1,0,1|2,0,0]=4 136 B13R2.430 O=C(O)C1=CC=C2SN=NC2=C1 6511AD [0,1,0,1,0,0|1,1,0]=4 137 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O 7160AF [0,0,1,0,1,0|2,0,0]=4 138 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [1,0,0,0,1,0|2,0,0]=4 139 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [1,0,0,0,1,0|2,0,0]=4 140 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 7899AF [1,0,0,0,0,1|2,0,0]=4 141 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 1996AC [1,0,0,0,0,1|2,0,0]=4 142 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 8150AJ [1,0,0,0,0,1|2,0,0]=4 143 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 9396AD [1,0,0,0,0,1|2,0,0]=4 144 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 5257AB [1,0,0,0,0,1|2,0,0]=4 145 B13R1.511 CC(=O)\C=C\C1=CC=C(O)C(O)=C1 Y0152 [0,0,0,0,0,2|1,0,0]=3