0 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 3393AC [0,0,0,0,0,0|2,2,0]=4 1 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 2990AB [0,0,0,0,0,0|1,2,0]=3 2 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 9929AC [0,0,0,0,0,0|3,0,0]=3 3 B10R1.58 CN1N=C(C(=O)O)C=C1O Y9543 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4819AC [0,0,0,0,0,0|1,2,0]=3 5 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 4820AC [0,0,0,0,0,0|1,2,0]=3 6 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 1031AE [0,0,0,0,0,0|1,2,0]=3 7 B9R1.23 CC1=C(C)SC(C=O)=C1 0832AQ [1,0,0,0,0,0|2,1,0]=4 8 B9R1.23 O=CC1=CC(Br)=C(Br)O1 D393 [1,0,0,0,0,0|0,2,0]=3 9 B9R1.23 O=CC1=CC(Cl)=C(Cl)S1 0381AC [1,0,0,0,0,0|0,1,0]=2 10 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [1,0,0,0,0,0|1,1,0]=3 11 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [1,0,0,0,0,0|1,1,0]=3 12 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CC1=CC(C(=O)O)=CN1 X8465 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [1,0,0,0,0,0|2,0,0]=3 15 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 CC1=NN=C(C(=O)O)O1 7252AB [1,0,0,0,0,0|3,0,0]=4 20 B9R1.35 N=C(N)C1=CC=C(Cl)S1 6827AD [1,0,0,0,0,0|2,1,0]=4 21 B9R1.35 NC(=O)C1=CC(Br)=NO1 4565AA [1,0,0,0,0,0|2,1,0]=4 22 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [1,0,0,0,0,0|2,1,0]=4 23 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [1,0,0,0,0,0|1,1,0]=3 24 B9R1.35 NC1=NC(C(=O)O)=CS1 Y7076 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.35 NC1=NC=C(C(=O)O)O1 V8587 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [1,0,0,0,0,0|1,0,0]=2 27 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [1,0,0,0,0,0|0,2,0]=3 28 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [1,0,0,0,0,0|0,1,0]=2 29 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y9881 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [1,0,0,0,0,0|2,1,0]=4 31 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [1,0,0,0,0,0|1,1,0]=3 32 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [1,0,0,0,0,0|1,1,0]=3 33 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 5524AL [1,0,0,0,0,0|1,1,1]=4 35 B11R1.48 CC(=O)C1=CC(C#N)=C(C)O1 6982AB [0,1,0,0,0,0|3,0,0]=4 36 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 2729AE [0,1,0,0,0,0|1,2,0]=4 37 B11R1.48 CCC1=C(C)C=C(C(=O)O)S1 5555AB [0,1,0,0,0,0|2,1,0]=4 38 B11R1.79 O=S(=O)(F)C1=CC(Cl)=C(Cl)S1 0483AQ [0,1,0,0,0,0|1,1,1]=4 39 B11R1.226 COC(=O)C1=CC(Br)=C(Br)N1 V9305 [0,1,0,0,0,0|1,2,0]=4 40 B11R1.226 COC(=O)C1=CC(Br)=C(Br)S1 Y6332 [0,1,0,0,0,0|0,3,0]=4 41 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)O1 7066AJ [0,1,0,0,0,0|0,1,0]=2 42 B11R1.21 CC1=C(Cl)N=CC(C(N)=O)=C1 7444AE [0,0,0,0,0,1|3,0,0]=4 43 B11R1.21 CC1=CC(C(=O)O)=CNC1=O 0272AC [0,0,0,0,0,1|3,0,0]=4 44 B11R1.21 CC1=CC=C(C(=O)O)N=C1C 2856AC [0,0,0,0,0,1|3,0,0]=4 45 B11R1.21 CC1=CC=C(C(=O)O)NC1=O 2494AA [0,0,0,0,0,1|3,0,0]=4 46 B11R1.21 NC(=O)C1=CC=C(Br)C(Cl)=C1 Z8676 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.21 NC(=O)C1=CC=C(Cl)C(Br)=C1 V7781 [0,0,0,0,0,1|2,1,0]=4 48 B11R1.21 NC(=O)C1=CC=C(Cl)C(Cl)=C1 8805AD [0,0,0,0,0,1|2,0,0]=3 49 B11R1.21 NC(=O)C1=CN=C(Cl)C(Cl)=C1 9219AE [0,0,0,0,0,1|2,0,0]=3 50 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 5309AE [0,0,0,0,0,1|2,1,0]=4 51 B11R1.21 NC1=CC(C(=O)O)=CC=C1F V5597 [0,0,0,0,0,1|2,1,0]=4 52 B11R1.21 NC1=CC(C(=O)O)=CC=C1O D461 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,0,0,0,0,1|2,1,0]=4 54 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 0899AQ [0,0,0,0,0,1|2,0,0]=3 55 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 X3304 [0,0,0,0,0,1|1,0,0]=2 56 B11R1.21 O=C(O)C1=CC(Cl)=C(F)N=C1 4922AB [0,0,0,0,0,1|1,1,0]=3 57 B11R1.21 O=C(O)C1=CC(F)=C(F)N=C1 Y4245 [0,0,0,0,0,1|1,2,0]=4 58 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 1126AD [0,0,0,0,0,1|1,1,0]=3 59 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 X6546 [0,0,0,0,0,1|1,1,0]=3 60 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 Y6596 [0,0,0,0,0,1|1,1,0]=3 61 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 Y4247 [0,0,0,0,0,1|1,2,0]=4 62 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 1343AA [0,0,0,0,0,1|1,1,0]=3 63 B11R1.74 C=C(C)C1=CC(Cl)=CC(Cl)=C1 8134AE [0,0,0,0,0,1|3,0,0]=4 64 B11R1.74 CC1=CC(=O)C=C(C(=O)O)N1 4279AD [0,0,0,0,0,1|3,0,0]=4 65 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 4513AC [0,0,0,0,0,1|2,1,0]=4 66 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 3341AC [0,0,0,0,0,1|3,0,0]=4 67 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Z4314 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 X4379 [0,0,0,0,0,1|2,0,0]=3 69 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=N1 4834AC [0,0,0,0,0,1|2,0,0]=3 70 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 3141AB [0,0,0,0,0,1|2,0,0]=3 71 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 2098AJ [0,0,0,0,0,1|3,0,0]=4 72 B11R1.74 N=C(N)C1=CC(Cl)=NC(Cl)=C1 5768AD [0,0,0,0,0,1|3,0,0]=4 73 B11R1.74 NC1=NC(Cl)=CC(C(=O)O)=C1 7060AE [0,0,0,0,0,1|2,0,0]=3 74 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 Y0526 [0,0,0,0,0,1|1,1,0]=3 75 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 0562AC [0,0,0,0,0,1|2,0,0]=3 76 B11R1.74 O=C1C=C(C(=O)O)C=C(Cl)N1 9048AF [0,0,0,0,0,1|2,0,0]=3 77 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(Cl)=N1 Z4135 [0,0,0,0,0,1|2,0,1]=4 78 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl 6056AD [0,0,0,0,0,1|3,0,0]=4 79 B8R1.1 CC1=CC=C(C=O)N1 3298AA [2,0,0,0,0,0|2,0,0]=4 80 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [2,0,0,0,0,0|1,1,0]=4 82 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [2,0,0,0,0,0|0,1,0]=3 83 B8R1.1 O=CC1=NC=C(Cl)S1 Y5482 [2,0,0,0,0,0|1,1,0]=4 84 B8R1.1 OCC1=CC(Br)=CO1 8845AB [2,0,0,0,0,0|0,1,1]=4 85 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [2,0,0,0,0,0|0,1,1]=4 86 B8R1.18 ClC1=C(Cl)SC(Br)=C1 2884AC [2,0,0,0,0,0|1,1,0]=4 87 B8R1.7 CC(=O)C1=CC=NO1 4156AC [2,0,0,0,0,0|2,0,0]=4 88 B8R1.7 CC(=O)C1=NC=CO1 W8389 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.7 CC(O)C1=CC=CO1 0311AQ [2,0,0,0,0,0|1,0,1]=4 90 B8R1.7 NC(=O)C1=CC=CN1 V6031 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.7 O=C(O)C1=NSC=C1 6302AB [2,0,0,0,0,0|2,0,0]=4 94 B8R1.7 O=C(O)C1C=CCO1 1916AL [2,0,0,0,0,0|0,0,2]=4 95 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.14 COC(=O)C1=CC(C)=CN1 0966AE [1,1,0,0,0,0|2,0,0]=4 97 B10R1.14 COC(=O)C1=CC(C)=NO1 0210AA [1,1,0,0,0,0|2,0,0]=4 98 B10R1.14 COC(=O)C1=CC(F)=CS1 0106AP [1,1,0,0,0,0|0,2,0]=4 99 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [1,1,0,0,0,0|0,0,0]=2 100 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 1639AJ [1,1,0,0,0,0|1,1,0]=4 101 B10R1.31 CCC1=CC=C(C(=O)O)O1 8236AB [1,1,0,0,0,0|1,0,0]=3 102 B10R1.31 CCC1=CC=C(C(=O)O)S1 Z2977 [1,1,0,0,0,0|1,1,0]=4 103 B10R1.31 CCC1=NOC(C(=O)O)=C1 7251AA [1,1,0,0,0,0|2,0,0]=4 104 B10R1.31 COC1=CC=C(C(=O)O)O1 3836AF [1,1,0,0,0,0|1,0,0]=3 105 B10R1.31 COC1=NOC(C(=O)O)=C1 6455AA [1,1,0,0,0,0|2,0,0]=4 106 B10R1.31 N#CC1=CC=C(C(=O)O)O1 0820AB [1,1,0,0,0,0|1,0,0]=3 107 B10R1.31 N#CC1=CNC(C(=O)O)=C1 X5552 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 W6043 [1,1,0,0,0,0|1,1,0]=4 109 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 Y9935 [1,1,0,0,0,0|0,2,0]=4 110 B10R1.194 CC1=CSC(C(=O)O)=C1Cl 7815AD [1,1,0,0,0,0|1,1,0]=4 111 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [1,1,0,0,0,0|1,1,0]=4 112 B12R1.232 CC1=C(Cl)C=C(N)C(C(=O)O)=C1 V3515 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.232 NC(=O)C1=CC(Cl)=C(Cl)N=C1Cl 6947AA [0,1,0,0,0,1|2,0,0]=4 114 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 2878AL [0,1,0,0,0,1|2,0,0]=4 115 B12R1.232 NC1=C(Cl)C=C(O)C(C(=O)O)=C1 V1240 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.232 NC1=CC(Cl)=C(Cl)C=C1C(=O)O W4361 [0,1,0,0,0,1|1,0,0]=3 117 B12R1.232 NC1=NC(N)=C(Cl)N=C1C(=O)O X6980 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl 2380AC [0,1,0,0,0,1|1,1,0]=4 119 B12R1.367 COC(=O)C1=CC(Cl)=C(N)N=C1 0808AF [0,1,0,0,0,1|2,0,0]=4 120 B12R1.367 COC(=O)C1=CC(N)=C(Cl)N=C1 V4323 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.367 COC(=O)C1=CC=C(Cl)C(=O)N1 3888AA [0,1,0,0,0,1|2,0,0]=4 122 B12R1.367 COC(=O)C1=CC=C(Cl)C(O)=C1 Z4261 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.367 COC(=O)C1=CN=C(O)C(Cl)=C1 1162AD [0,1,0,0,0,1|2,0,0]=4 124 B12R1.367 COC(=O)C1=CNC(=O)C(Cl)=C1 0022AE [0,1,0,0,0,1|2,0,0]=4 125 B12R1.367 COC(=O)C1=NC=C(C)C(Cl)=C1 X8939 [0,1,0,0,0,1|2,0,0]=4 126 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 5784AB [0,1,0,0,0,1|2,0,0]=4 127 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 9016AC [0,1,0,0,0,1|1,0,0]=3 128 B12R1.367 O\N=C(/Cl)C1=CC(Cl)=C(Cl)C=C1 8237AC [0,1,0,0,0,1|2,0,0]=4 129 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)N=C1 4802AD [0,1,0,0,0,1|1,1,0]=4 130 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Cl Z1063 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.1005 NC1=CC(C(=O)O)=CC(Cl)=C1Cl 7049AB [0,1,0,0,0,1|1,0,0]=3 132 B12R1.1005 O=C(O)C1=CC(Cl)=C(I)C(Cl)=C1 Y3753 [0,1,0,0,0,1|1,1,0]=4 133 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(Cl)=C1 Z1789 [0,1,0,0,0,1|1,1,0]=4 134 B12R1.11 CSC1=CC(Cl)=CC(C(=O)O)=C1 Z0676 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.11 N#CC1=CC(C(=O)O)=CC(Cl)=C1 3680AB [0,1,0,0,0,1|2,0,0]=4 136 B12R1.11 O=CC1=CC(Cl)=CC(C(=O)O)=C1 5856AJ [0,1,0,0,0,1|2,0,0]=4 137 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 4252AJ [0,1,0,0,0,1|2,0,0]=4 138 B12R1.511 NC1=C(C(=O)O)C=C(Cl)N=C1Cl 8667AB [0,1,0,0,0,1|1,0,0]=3 139 B12R1.511 NC1=C(Cl)C(C(=O)O)=NC(Cl)=C1 X4356 [0,1,0,0,0,1|2,0,0]=4 140 B12R1.314 CCOC(=O)C1=CC(C)=C(Cl)S1 1591AC [0,2,0,0,0,0|1,1,0]=4 141 B12R1.314 CCOC(=O)C1=CC(Cl)=C(Cl)S1 5579AA [0,2,0,0,0,0|0,1,0]=3 142 B10R1.118 OC1=CC(Cl)=C(Cl)C=C1O Y1518 [0,0,1,1,0,0|1,0,0]=3 143 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 6878AC [1,0,0,0,0,1|2,0,0]=4 144 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [1,0,0,0,0,1|1,1,0]=4 145 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 1145AL [1,0,0,0,0,1|0,1,0]=3 146 B12R1.101 CC(=O)NC1=CC(Cl)=CC(Cl)=C1 3632AL [0,0,0,0,0,2|2,0,0]=4