0 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 1448AL [0,0,0,1,0,0|3,0,0]=4 1 B10R1.113 CC(O)C1=CC(O)=CC=C1 4940AJ [0,0,0,1,0,0|2,0,1]=4 2 B10R1.113 CC1=CC(C(N)=O)=CC=C1 F917 [0,0,0,1,0,0|3,0,0]=4 3 B10R1.113 CC1=NC=CC(C(=O)O)=N1 X9944 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 Y9632 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 Y9875 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.113 NC1=CC(C(=O)O)=NC=C1 5565AH [0,0,0,1,0,0|3,0,0]=4 7 B10R1.113 NC1=CC(C(=O)O)=NC=C1 X8464 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.113 NC1=CC(C(=O)O)=NC=C1 X9744 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,0,0,1,0,0|2,0,1]=4 10 B10R1.113 NC1=CN=CC(C(=O)O)=N1 W7370 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.113 NC1=NC=CC(C(=O)O)=N1 W4491 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 6069AL [0,0,0,1,0,0|3,0,0]=4 13 B10R1.113 O=C(O)C1=CC(I)=NC=C1 Y9547 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 B798 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 X2825 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.113 O=C1C=C(C(=O)O)C=NN1 W8905 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.113 O=C1C=COC(C(=O)O)=C1 3223AL [0,0,0,1,0,0|2,0,0]=3 18 B10R1.113 O=C1N=CC=C(C(=O)O)N1 W9231 [0,0,0,1,0,0|2,0,0]=3 19 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,0,0,0,1,0|3,0,0]=4 20 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [0,0,0,0,1,0|0,0,1]=2 21 B11R0.106 C\C(C=O)=C/C=C/C=C(\C)C=O 4034AL [0,2,0,0,0,0|2,0,0]=4 22 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.6 O=C(F)C1=CC=CC=C1 3921AE [1,0,0,1,0,0|2,0,0]=4 24 B9R1.6 O=C(O)C1=NC=CC=C1 7630AF [1,0,0,1,0,0|1,0,0]=3 25 B9R1.6 O=C(O)C1=NN=CC=C1 X0237 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.13 O=C(O)CC1=CC=CO1 V2403 [1,0,0,1,0,0|0,0,1]=3 27 B9R1.41 CC1=C(C(=O)O)C=CN1 4732AB [1,0,0,1,0,0|2,0,0]=4 28 B9R1.41 CC1=C(C(=O)O)C=CO1 Y9842 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.41 CC1=C(C(=O)O)C=CS1 W4117 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.41 CC1=CSC=C1C(=O)O Z5123 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.41 NC(=O)C1=C(O)C=CS1 8373AB [1,0,0,1,0,0|2,0,0]=4 32 B9R1.41 NC1=C(C(=O)O)SC=C1 V6581 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.41 O=C(O)C1=C(F)C=CS1 W5425 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.41 O=C(O)C1=C(O)C=CS1 7114AB [1,0,0,1,0,0|1,0,0]=3 36 B9R1.41 O=C(O)C1=CSC=C1Br Y7756 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.35 CC1=NC=C(C(=O)O)O1 Y5240 [0,0,0,1,1,0|2,0,0]=4 38 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,0,0,1,1,0|2,0,0]=4 39 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,0,0,1,1,0|1,1,0]=4 40 B9R1.35 O=C(O)C1=CC=C(I)S1 8970AB [0,0,0,1,1,0|1,1,0]=4 41 B9R1.35 O=C1NC=C(C(=O)O)N1 V5719 [0,0,0,1,1,0|2,0,0]=4 42 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 1843AA [0,0,0,1,0,1|2,0,0]=4 43 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 Z5259 [0,0,0,1,0,1|2,0,0]=4 44 B11R1.178 O=C(O)C1=C(C(=O)O)OC=C1 5909AB [0,0,0,1,0,1|0,0,0]=2 45 B11R1.178 O=C(O)C1=COC=C1C(=O)O 5739AJ [0,0,0,1,0,1|0,0,0]=2 46 B11R1.23 COC(=O)C1=CC(=O)NC=C1 W9272 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.23 COC(=O)C1=CC=CC(N)=C1 3819AC [0,1,0,1,0,0|2,0,0]=4 48 B11R1.23 COC(=O)C1=NC(=O)NC=C1 6326AC [0,1,0,1,0,0|2,0,0]=4 49 B11R1.23 COC(=O)C1=NC=CC(O)=C1 V6083 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 8613AB [0,1,0,1,0,0|2,0,0]=4 51 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 8613AC [0,1,0,1,0,0|2,0,0]=4 52 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 Y1217 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.159 CC(=O)C1=CC=CC(Br)=C1O Z4323 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O Y8724 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.159 CC(=O)C1=CC=CC(F)=C1O 0838AC [0,1,0,1,0,0|2,0,0]=4 56 B11R1.159 CC1=C(I)C=CC=C1C(=O)O X2813 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.159 CN1C=CC=C(C(=O)O)C1=O 7787AA [0,1,0,1,0,0|2,0,0]=4 58 B11R1.159 NC1=C(Br)C(C(=O)O)=CC=C1 V3721 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.159 NC1=C(Cl)C(C(=O)O)=CC=C1 X8028 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 X8030 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 8344AB [0,1,0,1,0,0|2,0,0]=4 62 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 X4483 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.159 O=C(O)C1=CC=CC(=O)N1O Z5390 [0,1,0,1,0,0|0,0,0]=2 64 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Br Z4927 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl X8043 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.159 O=C(O)C1=CC=CC(F)=C1I X4486 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.159 O=C(O)C1=CC=CC(I)=C1Br 3273AC [0,1,0,1,0,0|2,0,0]=4 68 B11R1.159 O=C(O)C1=CC=CC(I)=C1Cl A542 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 5335AH [0,1,0,1,0,0|2,0,0]=4 70 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 7186AB [0,1,0,1,0,0|2,0,0]=4 71 B11R1.266 COC1=CC(C(=O)O)=CN=C1 W4373 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.266 COC1=CC=CC(C(N)=O)=N1 4601AF [0,1,0,1,0,0|2,0,0]=4 73 B11R1.266 COC1=CN=CC(C(=O)O)=C1 Y6897 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.266 NC(=O)C1=CC=CC(C=O)=C1 5247AA [0,1,0,1,0,0|2,0,0]=4 75 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 Q654 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Y9548 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 X0219 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 X8078 [0,1,0,1,0,0|1,0,0]=3 79 B11R1.266 O=C(O)C1=NC(CO)=CC=C1 X9395 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.266 O=CC1=CC(C(=O)O)=CC=N1 3286AC [0,1,0,1,0,0|2,0,0]=4 81 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 Z2245 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=C1 Z4893 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 X3116 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=C1 X8029 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 W8462 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 6925AA [0,1,0,1,0,0|1,0,0]=3 87 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 Z5106 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 5927AL [0,1,0,1,0,0|2,0,0]=4 89 B11R1.74 O=C(O)C1=CC(I)=CC(F)=C1 X4491 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.167 CC(=O)C1=CC(O)=CC=C1F V3358 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=N1 4794AC [0,1,0,1,0,0|2,0,0]=4 92 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O X7045 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.167 CC1=CC=C(O)N=C1C(=O)O Z3910 [0,1,0,1,0,0|1,0,0]=3 94 B11R1.167 CC1=NC(C(=O)O)=C(O)C=C1 6892AA [0,1,0,1,0,0|2,0,0]=4 95 B11R1.167 NC1=CC=C(Br)C(C(=O)O)=N1 X8656 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.167 O=C(O)C1=CC(I)=CC=C1I Z1811 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.167 O=C(O)C1=CC(O)=CC=C1F X2155 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.167 O=C(O)C1=CC(O)=CC=C1I X8082 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl 5941AB [0,1,0,1,0,0|2,0,0]=4 100 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br Z7473 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.167 O=C(O)C1=NC(F)=CC=C1F Y4248 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O M915 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 Z1157 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 X9173 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 0227AA [0,1,0,1,0,0|2,0,0]=4 106 B11R1.21 CC1=CC(C(=O)O)=CC=C1I W6695 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Z0162 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4035AB [0,1,0,1,0,0|2,0,0]=4 109 B11R1.21 NC1=CC(C(=O)O)=CC=C1F X2787 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.21 NC1=CC=C(C(=O)O)C=C1I W4421 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 5955AB [0,1,0,1,0,0|2,0,0]=4 112 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 9297AB [0,1,0,1,0,0|2,0,0]=4 113 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 4787AB [0,1,0,1,0,0|2,0,0]=4 114 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 0937AA [0,1,0,1,0,0|1,0,0]=3 115 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 3423AC [0,1,0,1,0,0|2,0,0]=4 116 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 Z4496 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.21 O=C(O)C1=NC(Br)=C(Br)C=C1 W5183 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 Z3847 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 6719AC [0,1,0,1,0,0|2,0,0]=4 120 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 Z5279 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 X9492 [0,1,0,1,0,0|1,0,0]=3 122 B11R1.175 O=C(O)C1=CC=C(B(O)O)O1 X2497 [0,1,0,1,0,0|1,0,1]=4 123 B11R1.175 O=C(O)C1=CC=C(C(=O)O)N1 5938AC [0,1,0,1,0,0|0,0,0]=2 124 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [0,0,0,0,2,0|0,0,0]=2 125 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [0,0,0,0,2,0|0,0,1]=3