0 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Br B405223 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Cl C404131 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [0,0,0,0,0,0|1,0,2]=3 12 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br B123074 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F F156733 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N A151460 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.21 C1=CC(=CC=C1N)OCC(=O)O A588272 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O A165606 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.21 C1=CC(=CC=C1NCC(=O)O)F F169812 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl C153889 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br B152378 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102889 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102890 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F F170192 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I I120189 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [0,0,0,0,0,0|0,0,2]=2 29 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O H156889 [0,0,0,0,0,0|0,0,0]=0 30 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl C169088 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.21 CC(CCC1=CC=C(C=C1)O)O R134727 [0,0,0,0,0,0|0,0,2]=2 32 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O P138270 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.21 CC1=CC=C(C=C1)COC(=O)C M117867 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O M158250 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H115723 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H194142 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H408782 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.1 C1=CC(=CC=C1C=CC=O)Br T102188 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.1 C1=CC(=CC=C1C=CC=O)Cl E193580 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.1 C1=CC(=CC=C1C=CC=O)F F156576 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.1 C1=CC(=CC=C1CCCN)Cl C191754 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [1,0,0,0,0,0|0,0,2]=3 46 B11R1.1 C1=CC(=CC=C1CN=C=O)Br B352069 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1 CC1=CC=C(C=C1)C=CC=O E589502 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.1 CC1=CC=C(C=C1)OCC=C A151094 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [1,0,0,0,0,0|1,0,1]=3 52 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [1,0,0,0,0,0|0,0,1]=2 54 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120508 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120511 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120512 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B343853 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.1 CCCC[N+]1=CC=C(C=C1)C W196192 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [1,0,0,0,0,0|1,0,1]=3 62 B11R1.1 CCOCC1=CC=C(C=C1)O E194029 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.91 C1=CC(=CN=C1)CCC(=O)O P136290 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.91 C1=CC=C(C=C1)C#CC(=O)O P133964 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [1,0,0,0,0,0|1,0,2]=4 69 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [1,0,0,0,0,0|1,0,2]=4 70 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [1,0,0,0,0,0|1,0,2]=4 72 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [1,0,0,0,0,0|1,0,2]=4 73 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [1,0,0,0,0,0|1,0,2]=4 74 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [1,0,0,0,0,0|1,0,2]=4 75 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [1,0,0,0,0,0|1,0,2]=4 76 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [1,0,0,0,0,0|1,0,2]=4 77 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [1,0,0,0,0,0|1,0,2]=4 78 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [1,0,0,0,0,0|1,0,2]=4 79 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,0,0,0,0,0|1,0,0]=2 80 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,0,0,0,0,0|1,0,0]=2 82 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,0,0,0,0,0|1,0,0]=2 83 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [1,0,0,0,0,0|2,1,0]=4 87 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.91 C1=CC=C(C=C1)NCC(=O)[O-] N133268 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.91 C1=CC=C(C=C1)OCC(=N)N B301361 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.91 C1=CC=C(C=C1)OCC(=O)Cl P160117 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107024 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107025 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] S563686 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.91 C1=CC=C(C=C1)SCC(=O)Cl B301376 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.91 C1=CC=C(C=C1)SCC(=O)O P101811 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.91 C1=CC=NC(=C1)CCC(=O)O P167476 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.91 C1=CN=CC=C1CCC(=O)O P171257 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.91 C1=CN=CC=C1SCC(=O)O P109703 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [1,0,0,0,0,0|0,0,2]=3 107 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [1,0,0,0,0,0|0,0,2]=3 108 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [1,0,0,0,0,0|0,0,2]=3 109 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [1,0,0,0,0,0|0,0,2]=3 110 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,0,0,0,0,0|0,0,0]=1 111 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [1,0,0,0,0,0|1,0,0]=2 112 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,0,0,0,0,0|1,0,0]=2 113 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,0,0,0,0,0|1,0,0]=2 115 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,0,0,0,0,0|1,0,0]=2 116 B11R1.91 CC(C)NCC1=CC=CC=C1 B100437 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [1,0,0,0,0,0|1,0,1]=3 118 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [1,0,0,0,0,0|0,0,2]=3 119 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [1,0,0,0,0,0|0,0,2]=3 120 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [1,0,0,0,0,0|0,0,2]=3 121 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [1,0,0,0,0,0|1,0,2]=4 122 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [1,0,0,0,0,0|1,0,2]=4 123 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [1,0,0,0,0,0|2,0,0]=3 124 B13R1.3 C1=CC(=CC=C1C#N)NCC(=O)O N159198 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.3 C1=CC(=CC=C1C=O)OCC(=O)O F156781 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.3 C1=CC(=CC=C1CO)OCC(=O)O H101428 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.3 CC(=O)C=CC1=CC=C(C=C1)OC M355501 [0,1,0,0,0,0|0,0,2]=3 128 B13R1.3 CC(=O)CCC1=CC=C(C=C1)OC M158241 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.3 CC(=O)OCC1=CC=C(C=C1)OC A101234 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.3 CC(COC1=CC=C(C=C1)OC)O M158682 [0,1,0,0,0,0|1,0,2]=4 131 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O M100603 [0,1,0,0,0,0|1,0,2]=4 132 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O M305019 [0,1,0,0,0,0|1,0,2]=4 133 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O M158081 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O M131818 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.14 CC1=CC=C(C=C1)C=CC(=O)OC M302751 [0,1,0,0,0,0|1,0,2]=4 136 B13R1.14 COC(=O)C#CC1=CC=C(C=C1)Cl M404670 [0,1,0,0,0,0|1,0,2]=4 137 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br M589968 [0,1,0,0,0,0|1,0,2]=4 138 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl M102141 [0,1,0,0,0,0|1,0,2]=4 139 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)F M340706 [0,1,0,0,0,0|1,0,2]=4 140 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O M158470 [0,1,0,0,0,0|0,0,2]=3 141 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O M184263 [0,1,0,0,0,0|0,0,2]=3 142 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br M139243 [0,1,0,0,0,0|1,0,0]=2 143 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O M115480 [0,1,0,0,0,0|0,0,0]=1 144 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br A193198 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br S588525 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl A151555 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F A138673 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O D304114 [0,1,0,0,0,0|1,0,0]=2 149 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br B151852 [0,1,0,0,0,0|1,0,1]=3 150 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F F156635 [0,1,0,0,0,0|1,0,1]=3 151 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N A151280 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.133 C1=CC(=CC=C1CC(=O)C(=O)O)O H138306 [0,1,0,0,0,0|1,0,1]=3 153 B13R1.133 C1=CC(=CC=C1CC(C(=O)N)N)O L137615 [0,1,0,0,0,0|1,0,0]=2 154 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br B117017 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br P101626 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C100471 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C131971 [0,1,0,0,0,0|2,0,0]=3 158 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C136727 [0,1,0,0,0,0|2,0,0]=3 159 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153283 [0,1,0,0,0,0|2,0,0]=3 160 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153284 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117075 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117076 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F156775 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137496 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137619 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I109232 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I136438 [0,1,0,0,0,0|2,0,0]=3 168 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A105992 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A151041 [0,1,0,0,0,0|2,0,0]=3 170 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A185605 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O G419969 [0,1,0,0,0,0|1,0,0]=2 172 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S433057 [0,1,0,0,0,0|1,0,0]=2 173 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T101403 [0,1,0,0,0,0|1,0,0]=2 174 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T103976 [0,1,0,0,0,0|1,0,0]=2 175 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T108322 [0,1,0,0,0,0|1,0,0]=2 176 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T115962 [0,1,0,0,0,0|1,0,0]=2 177 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)O)O S160986 [0,1,0,0,0,0|1,0,0]=2 178 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L194654 [0,1,0,0,0,0|1,0,1]=3 179 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L302659 [0,1,0,0,0,0|1,0,1]=3 180 B13R1.133 CC(=C)C(=O)OC1=CC=C(C=C1)O H588692 [0,1,0,0,0,0|2,0,1]=4 181 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O D138991 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104415 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104416 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104421 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104423 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-] D105021 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.164 C1=CC(=C(C=C1F)F)CCC(=O)O D167043 [0,1,0,0,0,0|2,0,0]=3 189 B13R1.164 C1=CC(=C(C=C1O)O)C=CC(=O)O D139088 [0,1,0,0,0,0|1,0,2]=4 190 B13R1.164 C1=CC(=C(C=C1O)O)CCC(=O)O D171002 [0,1,0,0,0,0|1,0,0]=2 191 B13R1.164 C1=CC(=C(C=C1O)O)CCC(=O)O D424768 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O M109888 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O M109889 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C D166999 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108306 [0,1,0,0,0,0|1,0,2]=4 196 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108307 [0,1,0,0,0,0|1,0,2]=4 197 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108308 [0,1,0,0,0,0|1,0,2]=4 198 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C423391 [0,1,0,0,0,0|1,0,2]=4 199 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)Cl)Cl D183153 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)F)F D167695 [0,1,0,0,0,0|2,0,0]=3 201 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D165817 [0,1,0,0,0,0|1,0,0]=2 202 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D420537 [0,1,0,0,0,0|1,0,0]=2 203 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C D132862 [0,1,0,0,0,0|2,0,0]=3 204 B13R2.155 C1=CC(=CC2=C1C=CC(=O)N2)O H177239 [0,0,0,1,0,0|1,0,2]=4 205 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109351 [0,0,0,1,0,0|1,0,2]=4 206 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109352 [0,0,0,1,0,0|1,0,2]=4 207 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H426983 [0,0,0,1,0,0|1,0,2]=4 208 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Br B119100 [0,0,0,1,0,0|3,0,0]=4 209 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl C186487 [0,0,0,1,0,0|3,0,0]=4 210 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)N A187938 [0,0,0,1,0,0|3,0,0]=4 211 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)Br B181550 [0,0,0,1,0,0|2,0,0]=3 212 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)N A483794 [0,0,0,1,0,0|2,0,0]=3 213 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O H108011 [0,0,0,1,0,0|1,0,0]=2 214 B13R2.155 C1CC2=C(CC1=O)C=C(C=C2)F F338110 [0,0,0,1,0,0|1,0,0]=2 215 B13R2.155 CN1CCC2=C(C1)C=C(C=C2)Br B588454 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)Cl C153891 [0,0,0,0,1,0|2,0,0]=3 217 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F F469238 [0,0,0,0,1,0|2,0,0]=3 218 B11R1.20 C1=CC(=CC=C1CC(=O)N)O H117443 [0,0,0,0,1,0|1,0,0]=2 219 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br B101317 [0,0,0,0,1,0|2,0,0]=3 220 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl C103600 [0,0,0,0,1,0|2,0,0]=3 221 B11R1.20 C1=CC(=CC=C1CC(=O)O)F F115807 [0,0,0,0,1,0|2,0,0]=3 222 B11R1.20 C1=CC(=CC=C1CC(=O)O)I I132292 [0,0,0,0,1,0|2,0,0]=3 223 B11R1.20 C1=CC(=CC=C1CC(=O)O)N A110093 [0,0,0,0,1,0|2,0,0]=3 224 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H103972 [0,0,0,0,1,0|1,0,0]=2 225 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H421869 [0,0,0,0,1,0|1,0,0]=2 226 B11R1.20 C1=CC(=CC=C1CC(=O)O)S M471020 [0,0,0,0,1,0|1,1,0]=3 227 B11R1.20 C1=CC(=CC=C1NC(=O)N)Br B152706 [0,0,0,0,1,0|3,0,0]=4 228 B11R1.20 C1=CC(=CC=C1NC(=O)N)Cl C167191 [0,0,0,0,1,0|3,0,0]=4 229 B11R1.20 C1=CC(=CC=C1NC(=O)N)F F156722 [0,0,0,0,1,0|3,0,0]=4 230 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl C139256 [0,0,0,0,1,0|3,0,0]=4 231 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)F F193118 [0,0,0,0,1,0|3,0,0]=4 232 B11R1.20 C1=CC(=NC=C1Br)CC(=O)O B168241 [0,0,0,0,1,0|3,0,0]=4 233 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl C134957 [0,0,0,0,1,0|3,0,0]=4 234 B11R1.20 CC(=O)CC1=CC=C(C=C1)Br B133524 [0,0,0,0,1,0|1,0,0]=2 235 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl C136193 [0,0,0,0,1,0|1,0,0]=2 236 B11R1.20 CC(=O)CC1=CC=C(C=C1)F F123996 [0,0,0,0,1,0|1,0,0]=2 237 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br B152718 [0,0,0,0,1,0|2,0,0]=3 238 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl C105638 [0,0,0,0,1,0|2,0,0]=3 239 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F124470 [0,0,0,0,1,0|2,0,0]=3 240 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F579463 [0,0,0,0,1,0|2,0,0]=3 241 B11R1.20 CC(=O)NC1=CC=C(C=C1)I I135865 [0,0,0,0,1,0|2,0,0]=3 242 B11R1.20 CC(=O)NC1=CC=C(C=C1)N A100947 [0,0,0,0,1,0|2,0,0]=3 243 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105807 [0,0,0,0,1,0|1,0,0]=2 244 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105808 [0,0,0,0,1,0|1,0,0]=2 245 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105809 [0,0,0,0,1,0|1,0,0]=2 246 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A135872 [0,0,0,0,1,0|1,0,0]=2 247 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A136987 [0,0,0,0,1,0|1,0,0]=2 248 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A305928 [0,0,0,0,1,0|1,0,0]=2 249 B11R1.20 CC(=O)NC1=CC=C(C=C1)S A100956 [0,0,0,0,1,0|1,1,0]=3 250 B11R1.20 CC(=O)NC1=NC=C(C=C1)Br A151676 [0,0,0,0,1,0|3,0,0]=4 251 B11R1.20 CC(=O)NC1=NC=C(C=C1)I A405615 [0,0,0,0,1,0|3,0,0]=4 252 B11R1.20 CC(=O)OC1=CC=C(C=C1)F A124503 [0,0,0,0,1,0|2,0,0]=3 253 B11R1.20 CC(=O)OC1=CC=C(C=C1)O A588726 [0,0,0,0,1,0|1,0,0]=2 254 B11R1.20 CC(C)CC1=CC=C(C=C1)Br B163036 [0,0,0,0,1,0|2,0,1]=4 255 B11R1.20 CC1=CC=C(C=C1)CC(=O)O T100785 [0,0,0,0,1,0|2,0,0]=3 256 B11R1.20 CC1=CC=C(C=C1)NC(=O)C P160549 [0,0,0,0,1,0|2,0,0]=3 257 B11R1.20 CC1=CC=C(C=C1)OC(=O)C P160555 [0,0,0,0,1,0|2,0,0]=3 258 B11R1.20 CC1=CC=C(C=C1)OC(=O)Cl P343127 [0,0,0,0,1,0|3,0,0]=4 259 B11R1.20 CC1=NC=C(C=C1)CC(=O)O M573259 [0,0,0,0,1,0|3,0,0]=4 260 B11R1.20 CN(C)CC1=CC=C(C=C1)N A185751 [0,0,0,0,1,0|3,0,0]=4 261 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)Br B152642 [0,0,0,0,0,1|2,0,0]=3 262 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)I I169229 [0,0,0,0,0,1|2,0,0]=3 263 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N A124483 [0,0,0,0,0,1|2,0,0]=3 264 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)O H589940 [0,0,0,0,0,1|1,0,0]=2 265 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)Br B358329 [0,0,0,0,0,1|2,0,0]=3 266 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F F472278 [0,0,0,0,0,1|2,0,0]=3 267 B13R1.513 CC(C)CCOC1=CC=C(C=C1)N C338229 [0,0,0,0,0,1|2,0,1]=4 268 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O P160223 [0,0,0,0,0,1|2,0,0]=3 269 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O M167127 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.1 C1=CC(=CC=C1CC#N)O H121848 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.1 C1=CC(=CC=C1CCBr)Br B167924 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.1 C1=CC(=CC=C1CCBr)Cl C121844 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.1 C1=CC(=CC=C1CCBr)F F121611 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.1 C1=CC(=CC=C1CCCl)F F156671 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [2,0,0,0,0,0|1,0,0]=3 287 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [2,0,0,0,0,0|1,0,0]=3 288 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [2,0,0,0,0,0|1,0,0]=3 289 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [2,0,0,0,0,0|1,0,1]=4 290 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [2,0,0,0,0,0|1,0,1]=4 291 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [2,0,0,0,0,0|0,0,1]=3 294 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [2,0,0,0,0,0|0,0,1]=3 295 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [2,0,0,0,0,0|0,0,1]=3 296 B10R1.1 C1=CC(=CC=C1NC=O)Br N342559 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.1 C1=CC(=CC=C1NC=O)Cl N159268 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.1 C1=CC(=CC=C1NC=O)F N159255 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.1 C=CCC1=CC=C(C=C1)O A589273 [2,0,0,0,0,0|0,0,1]=3 300 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [2,0,0,0,0,0|1,0,0]=3 302 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.1 CC1=CC=C(C=C1)NC=O M158337 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.1 CCCC1=CC=C(C=C1)Br B101884 [2,0,0,0,0,0|1,0,0]=3 309 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.1 CCCC1=CC=C(C=C1)Cl C303901 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.1 CCCC1=CC=C(C=C1)N P136525 [2,0,0,0,0,0|1,0,0]=3 312 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [2,0,0,0,0,0|0,0,0]=2 313 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.1 CCOC1=CC=C(C=C1)Br B113334 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.1 CCOC1=CC=C(C=C1)Cl C304178 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.1 CCOC1=CC=C(C=C1)F F156673 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.1 CCOC1=CC=C(C=C1)I I111883 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.1 CCOC1=CC=C(C=C1)N E108459 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.1 CCOC1=CC=C(C=C1)N P160470 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.1 CCOC1=CC=C(C=C1)O E124314 [2,0,0,0,0,0|1,0,0]=3 321 B10R1.1 CNCC1=CC=C(C=C1)Br B186104 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.1 CNCC1=CC=C(C=C1)Cl C153967 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.1 CNCC1=CC=C(C=C1)F F156709 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.1 COCC1=CC=C(C=C1)Br B181671 [2,0,0,0,0,0|2,0,0]=4 325 B10R1.1 COCC1=CC=C(C=C1)O M170858 [2,0,0,0,0,0|1,0,0]=3 326 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [2,0,0,0,0,0|0,0,2]=4 327 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [2,0,0,0,0,0|0,0,2]=4 328 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [2,0,0,0,0,0|0,0,2]=4 329 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [2,0,0,0,0,0|0,0,2]=4 330 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [2,0,0,0,0,0|0,0,2]=4 331 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [2,0,0,0,0,0|0,0,2]=4 332 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [2,0,0,0,0,0|0,0,2]=4 333 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [2,0,0,0,0,0|1,0,1]=4 334 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [2,0,0,0,0,0|0,0,0]=2 335 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [2,0,0,0,0,0|1,0,1]=4 336 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [2,0,0,0,0,0|1,0,1]=4 337 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [2,0,0,0,0,0|1,0,1]=4 338 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [2,0,0,0,0,0|1,0,1]=4 339 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [2,0,0,0,0,0|1,0,1]=4 340 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [2,0,0,0,0,0|0,0,2]=4 341 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [2,0,0,0,0,0|1,0,1]=4 344 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [2,0,0,0,0,0|1,0,0]=3 345 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [2,0,0,0,0,0|1,0,0]=3 346 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [2,0,0,0,0,0|0,0,1]=3 347 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [2,0,0,0,0,0|1,0,1]=4 348 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [2,0,0,0,0,0|1,0,1]=4 349 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [2,0,0,0,0,0|1,0,1]=4 350 B10R1.17 C=COCC1=CC=CC=C1 B178307 [2,0,0,0,0,0|1,0,1]=4 351 B10R1.17 CCCCC1=CC=CC=C1 B100020 [2,0,0,0,0,0|0,0,1]=3 352 B10R1.17 CCCCC1=CC=CC=C1 B100021 [2,0,0,0,0,0|0,0,1]=3 353 B10R1.17 CCCCC1=CC=CC=C1 B128171 [2,0,0,0,0,0|0,0,1]=3 354 B10R1.17 CCCCC1=CN=CC=C1 B115782 [2,0,0,0,0,0|1,0,1]=4 355 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [2,0,0,0,0,0|1,0,1]=4 356 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [2,0,0,0,0,0|1,0,1]=4 357 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [2,0,0,0,0,0|1,0,1]=4 358 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [2,0,0,0,0,0|1,0,1]=4 359 B10R1.17 CCCOC1=CC=CC=C1 P405762 [2,0,0,0,0,0|1,0,1]=4 360 B10R1.17 CCNCC1=CC=CC=C1 E113368 [2,0,0,0,0,0|1,0,1]=4 361 B10R1.17 CCOCC1=CC=CC=C1 E193820 [2,0,0,0,0,0|1,0,1]=4 362 B10R1.17 CNCCC1=CC=CC=C1 N159074 [2,0,0,0,0,0|1,0,0]=3 363 B10R1.17 CNCCC1=CC=CC=N1 B102783 [2,0,0,0,0,0|2,0,0]=4 364 B10R1.17 CNCCC1=CC=CC=N1 B152161 [2,0,0,0,0,0|2,0,0]=4 365 B10R1.17 CNCCC1=CC=CC=N1 B301305 [2,0,0,0,0,0|2,0,0]=4 366 B10R1.17 CNCCC1=CC=CC=N1 B424673 [2,0,0,0,0,0|2,0,0]=4 367 B10R1.17 CNCCC1=CC=CC=N1 M424771 [2,0,0,0,0,0|2,0,0]=4 368 B10R1.17 COCCC1=CC=CC=C1 P160567 [2,0,0,0,0,0|1,0,0]=3 369 B10R1.17 COCCC1=CC=CC=N1 M157981 [2,0,0,0,0,0|2,0,0]=4 370 B10R1.17 COCSC1=CC=CC=C1 M158419 [2,0,0,0,0,0|2,0,0]=4 371 B12R1.1 C1=CC(=CC=C1CCN=C=O)F B301354 [1,1,0,0,0,0|1,0,1]=4 372 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [1,1,0,0,0,0|0,0,1]=3 375 B12R1.1 CCCCOC1=CC=C(C=C1)N B151816 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [1,1,0,0,0,0|0,0,1]=3 377 B12R1.16 C=CCC(C1=CC=C(C=C1)Cl)O C468752 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O H156888 [1,1,0,0,0,0|0,0,2]=4 379 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S107339 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S107340 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S129817 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S161302 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S427007 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S408033 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.49 C1=CC(=CC=C1CC(CO)N)O T117152 [1,1,0,0,0,0|0,0,2]=4 386 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O N491195 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.49 COC(=O)CC1=CC=C(C=C1)O M117442 [1,1,0,0,0,0|1,0,1]=4 388 B12R1.69 CCCCC1=C(C=C(C=C1)O)O B152158 [1,1,0,0,0,0|0,0,1]=3 389 B12R1.71 CCCCC1=CC=C(C=C1)C#C B124313 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.71 CCCCC1=CC=C(C=C1)C#N B168447 [1,1,0,0,0,0|1,0,1]=4 391 B12R1.71 CCCCC1=CC=C(C=C1)C=O B151931 [1,1,0,0,0,0|0,0,2]=4 392 B12R1.71 CCCCC1=CC=C(C=C1)CBr B405161 [1,1,0,0,0,0|1,0,1]=4 393 B12R1.71 CNCCC1=CC=C(C=C1)OC N159070 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.71 COC1=CC=C(C=C1)C=CC=O T135720 [1,1,0,0,0,0|0,0,2]=4 395 B12R1.71 COC1=CC=C(C=C1)CCC#N M300601 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.71 COC1=CC=C(C=C1)CCC=O M122414 [1,1,0,0,0,0|0,0,0]=2 397 B12R1.71 COC1=CC=C(C=C1)CCCBr B341751 [1,1,0,0,0,0|1,0,1]=4 398 B12R1.71 COC1=CC=C(C=C1)CCCO M134198 [1,1,0,0,0,0|0,0,2]=4 399 B12R1.71 COC1=CC=C(C=C1)CN=C=O M171017 [1,1,0,0,0,0|1,0,1]=4 400 B12R1.71 COC1=CC=C(C=C1)COC=O A302664 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr B104541 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.27 C1=CC=C(C=C1)COC(=O)CCl B152737 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.27 C1=CC=C(C=C1)COC(=O)CO B135438 [1,1,0,0,0,0|1,0,0]=3 407 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.27 C1=CC=C(C=C1)COC(=O)NO N159551 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B122888 [1,1,0,0,0,0|1,0,1]=4 410 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B151902 [1,1,0,0,0,0|1,0,1]=4 411 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [1,1,0,0,0,0|0,0,2]=4 413 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [1,1,0,0,0,0|0,0,2]=4 414 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [1,1,0,0,0,0|0,0,2]=4 415 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [1,1,0,0,0,0|0,0,2]=4 416 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [1,1,0,0,0,0|0,0,0]=2 417 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [1,1,0,0,0,0|0,0,0]=2 418 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N H191553 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117036 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117038 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P137854 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [1,1,0,0,0,0|1,0,1]=4 425 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)Br B587562 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N D425386 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N L354493 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P103489 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P109094 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110424 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110425 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N A167909 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N P117035 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A107875 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A165279 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N P160400 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.43 CC(C(=O)Cl)OC1=CC=CC=C1 P160289 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.43 CC(C(=O)O)OC1=CC=CC=C1 P114961 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O M165389 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.43 CC(CC1=CC=CC=N1)C(=O)O M586148 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N A151148 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [1,1,0,0,0,0|1,0,0]=3 453 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [1,1,0,0,0,0|0,0,1]=3 456 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C D303544 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.107 CC(C1=CC=CC=C1)OC(=O)C P195955 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [1,1,0,0,0,0|1,0,0]=3 465 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl C115720 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.125 CC(CCC1=CC=CC=C1Cl)N S286923 [1,1,0,0,0,0|1,0,1]=4 467 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.125 CC1=CC=CC=C1OCC(=O)O M168158 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O W135520 [1,1,0,0,0,0|1,0,0]=3 470 B12R1.226 C1=CC(=CC(=C1)Br)OCC(=O)O B587723 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O C132834 [1,1,0,0,0,0|1,0,0]=3 472 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O C185405 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.226 C1=CC(=CC(=C1)F)CCC(=O)O F138869 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.226 C1=CC(=CC(=C1)N)CCC(=O)O A191401 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N M351510 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O M132501 [1,1,0,0,0,0|2,0,0]=4 480 B12R1.891 C1=CC=C(C=C1)CCP(=O)(O)O P133714 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.891 CC(C)(CCC1=CC=CC=C1)O M158675 [1,1,0,0,0,0|0,0,2]=4 482 B12R1.891 C[Si](CCC1=CC=CC=C1)(Cl)Cl D349605 [1,1,0,0,0,0|1,1,0]=4 483 B12R1.4 C1=CC(=CC=C1CC(=O)O)C#N C170916 [0,1,0,0,1,0|2,0,0]=4 484 B12R1.4 C1=CC(=CC=C1CC(=O)O)CBr B138187 [0,1,0,0,1,0|2,0,0]=4 485 B12R1.4 C1=CC(=CC=C1CC(=O)O)CO H157341 [0,1,0,0,1,0|1,0,0]=3 486 B12R1.4 CC(=O)CC1=CC=C(C=C1)OC P102234 [0,1,0,0,1,0|0,0,0]=2 487 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O A151024 [0,1,0,0,1,0|1,0,1]=4 488 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO A346516 [0,1,0,0,1,0|1,0,0]=3 489 B12R1.4 CC(=O)NC1=CC=C(C=C1)OC P160200 [0,1,0,0,1,0|1,0,0]=3 490 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C V107256 [0,1,0,0,1,0|2,0,0]=4 491 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O A151684 [0,1,0,0,1,0|1,0,1]=4 492 B12R1.4 CC(=O)OC1=CC=C(C=C1)CCl C472438 [0,1,0,0,1,0|2,0,0]=4 493 B12R1.4 COC1=CC=C(C=C1)CC(=O)Cl M163057 [0,1,0,0,1,0|1,0,0]=3 494 B12R1.4 COC1=CC=C(C=C1)CC(=O)O S115483 [0,1,0,0,1,0|1,0,0]=3 495 B12R1.4 COC1=CC=C(C=C1)NC(=O)N M158159 [0,1,0,0,1,0|2,0,0]=4 496 B12R1.4 COC1=CC=C(C=C1)OC(=O)Cl M472627 [0,1,0,0,1,0|2,0,0]=4 497 B12R1.4 CSC1=CC=C(C=C1)CC(=O)O M101855 [0,1,0,0,1,0|1,1,0]=4 498 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)Cl B590633 [0,1,0,0,1,0|2,0,0]=4 499 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)F B122844 [0,1,0,0,1,0|2,0,0]=4 500 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O B489539 [0,1,0,0,1,0|1,0,0]=3 501 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl D113542 [0,1,0,0,1,0|2,0,0]=4 502 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)F C120930 [0,1,0,0,1,0|2,0,0]=4 503 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)Br B188492 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)F D122864 [0,1,0,0,1,0|2,0,0]=4 505 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)O F184619 [0,1,0,0,1,0|1,0,0]=3 506 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D106475 [0,1,0,0,1,0|1,0,0]=3 507 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D420377 [0,1,0,0,1,0|1,0,0]=3 508 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)O D169021 [0,1,0,0,1,0|0,0,0]=2 509 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Br)Cl B152341 [0,1,0,0,1,0|2,0,0]=4 510 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Br)F B336016 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl D168602 [0,1,0,0,1,0|2,0,0]=4 512 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)N A121776 [0,1,0,0,1,0|2,0,0]=4 513 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl C353626 [0,1,0,0,1,0|2,0,0]=4 514 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl N193187 [0,1,0,0,1,0|1,0,0]=3 515 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C D182074 [0,1,0,0,1,0|2,0,0]=4 516 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)F F192398 [0,1,0,0,1,0|2,0,0]=4 517 B12R1.19 CC1=C(C=C(C=C1)NC(=O)C)C D154873 [0,1,0,0,1,0|2,0,0]=4 518 B12R1.19 CC1=C(C=CC(=C1)NC(=O)C)Br B152342 [0,1,0,0,1,0|2,0,0]=4 519 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)Cl B138689 [0,1,0,0,1,0|2,0,0]=4 520 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)F B469036 [0,1,0,0,1,0|2,0,0]=4 521 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br A186179 [0,1,0,0,1,0|2,0,0]=4 522 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl H194523 [0,1,0,0,1,0|2,0,0]=4 523 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl S161342 [0,1,0,0,1,0|2,0,0]=4 524 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F156773 [0,1,0,0,1,0|2,0,0]=4 525 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F F336450 [0,1,0,0,1,0|2,0,0]=4 526 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O A305005 [0,1,0,0,1,0|1,0,0]=3 527 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H111804 [0,1,0,0,1,0|1,0,0]=3 528 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O H157171 [0,1,0,0,1,0|1,0,0]=3 529 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br B152295 [0,1,0,0,1,0|2,0,0]=4 530 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153313 [0,1,0,0,1,0|2,0,0]=4 531 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153759 [0,1,0,0,1,0|2,0,0]=4 532 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl S194966 [0,1,0,0,1,0|2,0,0]=4 533 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F F156734 [0,1,0,0,1,0|2,0,0]=4 534 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F R472395 [0,1,0,0,1,0|2,0,0]=4 535 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)O H133163 [0,1,0,0,1,0|1,0,0]=3 536 B12R1.20 CC(C1=CC=C(C=C1)O)C(=O)O H156996 [0,1,0,0,1,0|1,0,0]=3 537 B12R1.20 CC1=CC=C(C=C1)C(C(=O)O)N A181169 [0,1,0,0,1,0|2,0,0]=4 538 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O P195954 [0,1,0,0,1,0|2,0,0]=4 539 B12R1.106 C1=CC(=CC=C1CP(=O)(O)O)O H157412 [0,1,0,0,1,0|2,0,0]=4 540 B12R1.106 CC(C)(CC1=CC=C(C=C1)O)N P491147 [0,1,0,0,1,0|1,0,1]=4 541 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Br B588121 [0,1,0,0,1,0|2,0,0]=4 542 B12R1.233 C1=CC(=C(C=C1Br)F)CC(=O)O B131710 [0,1,0,0,1,0|2,0,0]=4 543 B12R1.233 C1=CC(=C(C=C1Cl)Br)CC(=O)O B184998 [0,1,0,0,1,0|2,0,0]=4 544 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O D113535 [0,1,0,0,1,0|2,0,0]=4 545 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O C122857 [0,1,0,0,1,0|2,0,0]=4 546 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O B185556 [0,1,0,0,1,0|2,0,0]=4 547 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O C133158 [0,1,0,0,1,0|2,0,0]=4 548 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O D122860 [0,1,0,0,1,0|2,0,0]=4 549 B12R1.233 C1=CC(=C(C=C1O)F)CC(=O)O F194600 [0,1,0,0,1,0|1,0,0]=3 550 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Cl B152338 [0,1,0,0,1,0|2,0,0]=4 551 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F B152727 [0,1,0,0,1,0|2,0,0]=4 552 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)F C153632 [0,1,0,0,1,0|2,0,0]=4 553 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br B152532 [0,1,0,0,1,0|2,0,0]=4 554 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Cl C153631 [0,1,0,0,1,0|2,0,0]=4 555 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F D155095 [0,1,0,0,1,0|2,0,0]=4 556 B12R1.233 CC1=C(C=CC(=C1)Br)NC(=O)C B152336 [0,1,0,0,1,0|2,0,0]=4 557 B12R1.233 CC1=C(C=CC(=C1)F)NC(=O)C A183713 [0,1,0,0,1,0|2,0,0]=4 558 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)F F137620 [0,1,0,0,1,0|2,0,0]=4 559 B12R1.233 CC1=CC(=C(C=C1)NC(=O)C)Br B152716 [0,1,0,0,1,0|2,0,0]=4 560 B12R1.233 CC1=CC(=C(C=C1)NC(=O)C)O A167031 [0,1,0,0,1,0|2,0,0]=4 561 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O M158596 [0,1,0,0,0,1|1,0,0]=3 562 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)Br B152641 [0,1,0,0,0,1|2,0,0]=4 563 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)Cl C153557 [0,1,0,0,0,1|2,0,0]=4 564 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)F F135480 [0,1,0,0,0,1|2,0,0]=4 565 B14R1.678 CC(C)NCC(C1=CC=C(C=C1)O)O D332770 [0,1,0,0,0,1|1,0,1]=4 566 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O M158589 [0,1,0,0,0,1|2,0,0]=4 567 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O H344401 [0,1,0,0,0,1|0,0,0]=2 568 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O H425538 [0,1,0,0,0,1|0,0,0]=2 569 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Cl C115335 [0,1,0,0,0,1|1,0,1]=4 570 B14R1.698 CC1=CC=C(C=C1)NC(=O)CC(=O)C M158543 [0,1,0,0,0,1|1,0,1]=4 571 B14R1.2 COC1=CC=C(C=C1)C(CC(=O)O)N A151495 [0,2,0,0,0,0|1,0,0]=3 572 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N C353025 [0,2,0,0,0,0|2,0,0]=4 573 B14R1.3 C1=CC(=CC=C1CC(C(=O)O)N)C#N D192411 [0,2,0,0,0,0|2,0,0]=4 574 B14R1.3 CC(C(=O)[O-])OC1=CC=C(C=C1)OC S338208 [0,2,0,0,0,0|2,0,0]=4 575 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N M117085 [0,2,0,0,0,0|1,0,0]=3 576 B14R1.3 COC1=CC=C(C=C1)CC(C(=O)O)N O159967 [0,2,0,0,0,0|1,0,0]=3 577 B14R1.5 COC1=CC=C(C=C1)CCC(=O)OC M167615 [0,2,0,0,0,0|0,0,0]=2 578 B14R1.5 COC1=CC=C(C=C1)COC(=O)NN M168184 [0,2,0,0,0,0|2,0,0]=4 579 B14R1.142 C1=CC(=CC=C1CCC(=O)O)N=[N+]=[N-] A356264 [0,2,0,0,0,0|2,0,0]=4 580 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O E184752 [0,2,0,0,0,0|1,0,0]=3 581 B14R1.419 C1=CC(=CC=C1CCC(=O)O)C(=O)O C153555 [0,2,0,0,0,0|1,0,0]=3 582 B14R1.419 C1=CC(=CC=C1CCC(=O)O)[N+](=O)[O-] N158949 [0,2,0,0,0,0|1,0,1]=4 583 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O A335952 [0,2,0,0,0,0|1,0,0]=3 584 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] N159809 [0,2,0,0,0,0|1,0,1]=4 585 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O D590038 [0,2,0,0,0,0|2,0,0]=4 586 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)Cl M168684 [0,2,0,0,0,0|1,0,1]=4 587 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)F F119344 [0,2,0,0,0,0|1,0,1]=4 588 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O M158717 [0,2,0,0,0,0|0,0,1]=3 589 B14R1.134 C1=CC(=CC=C1CC(C(=O)NN)N)O S161199 [0,2,0,0,0,0|1,0,0]=3 590 B14R1.134 CC(C(=O)OC)OC1=CC=C(C=C1)O M101516 [0,2,0,0,0,0|1,0,0]=3 591 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Br)N M188952 [0,2,0,0,0,0|1,0,0]=3 592 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N C117071 [0,2,0,0,0,0|1,0,0]=3 593 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N C117072 [0,2,0,0,0,0|1,0,0]=3 594 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N H588917 [0,2,0,0,0,0|0,0,0]=2 595 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N T100470 [0,2,0,0,0,0|0,0,0]=2 596 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)O)N T105476 [0,2,0,0,0,0|0,0,0]=2 597 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O E304519 [0,2,0,0,0,0|0,0,2]=4 598 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Br E138811 [0,2,0,0,0,0|1,0,0]=3 599 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Cl E589967 [0,2,0,0,0,0|1,0,0]=3 600 B14R1.727 CC1=C(C=CC(=C1)Cl)OCC(=O)OC M158706 [0,2,0,0,0,0|2,0,0]=4 601 B14R1.727 COC(=O)COC1=C(C=C(C=C1)Cl)Cl D355779 [0,2,0,0,0,0|2,0,0]=4 602 B14R1.833 COC(=O)C=CC1=CC(=C(C=C1)O)O M158462 [0,2,0,0,0,0|0,0,2]=4 603 B14R1.685 C1=CC(=C(C=C1C(CC(=O)O)N)Cl)Cl A478614 [0,2,0,0,0,0|2,0,0]=4 604 B14R1.685 CN(C)CC(C1=CC(=C(C=C1)O)O)O R339890 [0,2,0,0,0,0|2,0,0]=4 605 B14R1.694 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C T103110 [0,2,0,0,0,0|2,0,0]=4 606 B14R1.1019 C1=CC(=CC=C1C(CC(=O)O)CN)Cl B127341 [0,2,0,0,0,0|2,0,0]=4 607 B14R1.1019 C1=CC(=CC=C1C(CC(=O)O)CN)Cl R425552 [0,2,0,0,0,0|2,0,0]=4 608 B14R1.1019 C1=CC(=CC=C1C(CC(=O)O)CN)Cl X138043 [0,2,0,0,0,0|2,0,0]=4 609 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl D184989 [0,2,0,0,0,0|2,0,0]=4 610 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)Cl L184990 [0,2,0,0,0,0|2,0,0]=4 611 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O C189195 [0,2,0,0,0,0|1,0,0]=3 612 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)F S588672 [0,2,0,0,0,0|2,0,0]=4 613 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F113768 [0,2,0,0,0,0|1,0,0]=3 614 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O F156612 [0,2,0,0,0,0|1,0,0]=3 615 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111048 [0,2,0,0,0,0|1,0,0]=3 616 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D111049 [0,2,0,0,0,0|1,0,0]=3 617 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D113507 [0,2,0,0,0,0|1,0,0]=3 618 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O D154657 [0,2,0,0,0,0|1,0,0]=3 619 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D342155 [0,2,0,0,0,0|1,0,0]=3 620 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)O)O)O D425886 [0,2,0,0,0,0|1,0,0]=3 621 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S110197 [0,2,0,0,0,0|1,0,0]=3 622 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S110198 [0,2,0,0,0,0|1,0,0]=3 623 B14R1.686 C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O S425413 [0,2,0,0,0,0|1,0,0]=3 624 B14R1.6049 C1=CC(=C(C=C1Cl)Cl)CC(C(=O)O)N D132444 [0,2,0,0,0,0|2,0,0]=4 625 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N B301360 [0,2,0,0,0,0|1,0,0]=3 626 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N M107878 [0,2,0,0,0,0|1,0,0]=3 627 B14R1.7626 CC(CC1=CC=C(C=C1)O)(C(=O)O)N M137321 [0,2,0,0,0,0|1,0,0]=3 628 B14R1.42 CC(=O)C=CC1=CC(=C(C=C1)O)OC H156987 [0,2,0,0,0,0|0,0,2]=4 629 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117527 [0,2,0,0,0,0|0,0,0]=2 630 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117528 [0,2,0,0,0,0|0,0,0]=2 631 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H157223 [0,2,0,0,0,0|1,0,0]=3 632 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H420683 [0,2,0,0,0,0|1,0,0]=3 633 B12R2.24 C1CC2=C(C=C(C=C2)O)NC1 H185355 [1,0,0,1,0,0|1,0,1]=4 634 B12R2.24 C1CC2=C(C=CC(=C2)O)NC1 H192815 [1,0,0,1,0,0|1,0,1]=4 635 B12R2.24 C1CCC2=C(C1)C=CC(=C2)N W133739 [1,0,0,1,0,0|1,0,1]=4 636 B12R2.24 C1CCC2=C(C1)C=CC(=C2)O T162495 [1,0,0,1,0,0|0,0,1]=3 637 B12R2.24 C1CNCC2=C1C=C(C=C2)O H157390 [1,0,0,1,0,0|1,0,1]=4 638 B12R2.24 C1CNCC2=C1C=CC(=C2)Br B175763 [1,0,0,1,0,0|2,0,0]=4 639 B12R2.24 C1CNCC2=C1C=CC(=C2)Cl C186797 [1,0,0,1,0,0|2,0,0]=4 640 B12R2.24 CC1=CC2=C(CCNC2)C=C1 M168479 [1,0,0,1,0,0|2,0,0]=4 641 B12R2.132 C1C(=O)C2=C(O1)C=CC(=C2)Br B193858 [1,0,0,1,0,0|2,0,0]=4 642 B12R2.132 C1C2=C(C=C(C=C2)Br)C(=O)N1 B177139 [1,0,0,1,0,0|2,0,0]=4 643 B12R2.132 C1C2=C(C=C(C=C2)Br)C(=O)O1 B182454 [1,0,0,1,0,0|2,0,0]=4 644 B12R2.132 C1C2=C(C=C(C=C2)Cl)C(=O)N1 C589550 [1,0,0,1,0,0|2,0,0]=4 645 B12R2.132 C1C2=C(C=C(C=C2)F)C(=O)N1 F588786 [1,0,0,1,0,0|2,0,0]=4 646 B12R2.132 C1C2=C(C=C(C=C2)F)C(=O)O1 F578892 [1,0,0,1,0,0|2,0,0]=4 647 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 A171047 [1,0,0,1,0,0|2,0,0]=4 648 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Br B120499 [1,0,0,1,0,0|1,0,0]=3 649 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Cl C119759 [1,0,0,1,0,0|1,0,0]=3 650 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F F119757 [1,0,0,1,0,0|1,0,0]=3 651 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N A479378 [1,0,0,1,0,0|1,0,0]=3 652 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)O H123324 [1,0,0,1,0,0|0,0,0]=2 653 B12R2.132 C1CC(=O)C2=C1N=CC(=C2)Br B586551 [1,0,0,1,0,0|2,0,0]=4 654 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 M123330 [1,0,0,1,0,0|1,0,0]=3 655 B12R2.2302 C1C(CO1)C2=CC=C(C=C2)Br B587155 [1,0,0,1,0,0|2,0,0]=4 656 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 T129829 [0,0,0,1,1,0|2,0,0]=4 657 B12R2.606 C1C(=O)CC2=C1C=CC(=C2)Br B587666 [0,0,0,1,1,0|1,0,0]=3 658 B12R2.606 C1C2=C(C=C(C=C2)Br)NC1=O B122384 [0,0,0,1,1,0|2,0,0]=4 659 B12R2.606 C1C2=C(C=C(C=C2)Cl)NC1=O C124834 [0,0,0,1,1,0|2,0,0]=4 660 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O F185236 [0,0,0,1,1,0|2,0,0]=4 661 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O B121634 [0,0,0,1,1,0|2,0,0]=4 662 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O C119110 [0,0,0,1,1,0|2,0,0]=4 663 B12R2.606 C1C2=C(C=CC(=C2)Cl)NC1=O C615485 [0,0,0,1,1,0|2,0,0]=4 664 B12R2.606 C1C2=C(C=CC(=C2)F)NC1=O F103596 [0,0,0,1,1,0|2,0,0]=4 665 B12R2.606 C1C2=C(C=CC(=C2)N)NC1=O A124824 [0,0,0,1,1,0|2,0,0]=4 666 B12R2.606 C1C2=C(C=CC(=C2)O)NC1=O H183835 [0,0,0,1,1,0|1,0,0]=3 667 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O H123427 [0,0,0,1,1,0|2,0,0]=4 668 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)O M588349 [0,0,0,1,1,0|2,0,0]=4 669 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)O M469551 [0,0,0,1,1,0|2,0,0]=4 670 B12R2.606 OC1=CC=C2SC(=O)OC2=C1 T407841 [0,0,0,1,1,0|2,0,0]=4 671 B14R2.4402 C1C(C1C(=O)O)C2=CC=C(C=C2)Cl C590683 [0,0,0,1,0,1|2,0,0]=4 672 B14R2.5816 CC(=O)N1CCC2=C1C=C(C=C2)N A171231 [0,0,0,1,0,1|1,0,0]=3 673 B14R2.134 C1C(=CC2=C(O1)C=CC(=C2)O)C=O H167050 [0,1,0,1,0,0|1,0,1]=4 674 B14R2.134 COC1=CC2=C(CCC(=O)C2)C=C1 M119742 [0,1,0,1,0,0|0,0,0]=2 675 B14R2.134 COC1=CC2=C(CCC(=O)N2)C=C1 M588211 [0,1,0,1,0,0|1,0,0]=3 676 B14R2.134 COC1=CC2=C(CCC(C2)N)C=C1 M193219 [0,1,0,1,0,0|1,0,1]=4 677 B14R2.4513 CN1C(=O)COC2=C1C=C(C=C2)N A165550 [0,1,0,1,0,0|2,0,0]=4 678 B10R1.16 CC1=CC=C(O1)CCC=O M157833 [1,0,0,0,1,0|2,0,0]=4 679 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [1,0,0,0,1,0|2,0,0]=4 680 B10R1.18 C1=CC(=CN=C1)CC(=O)O P107547 [1,0,0,0,1,0|2,0,0]=4 681 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [1,0,0,0,1,0|2,0,0]=4 682 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [1,0,0,0,1,0|1,0,0]=3 683 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [1,0,0,0,1,0|1,0,0]=3 684 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [1,0,0,0,1,0|1,0,0]=3 685 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [1,0,0,0,1,0|1,0,0]=3 686 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [1,0,0,0,1,0|1,1,0]=4 687 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [1,0,0,0,1,0|2,0,0]=4 688 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [1,0,0,0,1,0|2,0,0]=4 689 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [1,0,0,0,1,0|2,0,0]=4 690 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [1,0,0,0,1,0|2,0,0]=4 691 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [1,0,0,0,1,0|2,0,0]=4 692 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [1,0,0,0,1,0|2,0,0]=4 693 B10R1.18 C1=CN=CC=C1CC(=O)O P101990 [1,0,0,0,1,0|2,0,0]=4 694 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [1,0,0,0,1,0|1,0,1]=4 695 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [1,0,0,0,1,0|1,0,0]=3 696 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [1,0,0,0,1,0|1,0,0]=3 697 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [1,0,0,0,1,0|1,0,0]=3 698 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [1,0,0,0,1,0|1,0,0]=3 699 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [1,0,0,0,1,0|1,0,0]=3 700 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [1,0,0,0,1,0|1,0,0]=3 701 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [1,0,0,0,1,0|1,0,0]=3 702 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [1,0,0,0,1,0|1,0,0]=3 703 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [1,0,0,0,1,0|2,0,0]=4 704 B10R1.18 CC(=O)NC1=CC=NC=C1 A151787 [1,0,0,0,1,0|2,0,0]=4 705 B10R1.18 CC(=O)NC1=CN=CC=C1 A151789 [1,0,0,0,1,0|2,0,0]=4 706 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [1,0,0,0,1,0|1,0,0]=3 707 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [1,0,0,0,1,0|1,0,0]=3 708 B10R1.18 CC(=O)OC1=CN=CC=C1 A151785 [1,0,0,0,1,0|2,0,0]=4 709 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [1,0,0,0,1,0|1,0,0]=3 710 B10R1.18 CC(=S)NC1=CC=CC=C1 T161816 [1,0,0,0,1,0|1,1,0]=4 711 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [1,0,0,0,1,0|1,0,1]=4 712 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [1,0,0,0,1,0|1,0,1]=4 713 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [1,0,0,0,1,0|1,0,1]=4 714 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [1,0,0,0,1,0|1,0,1]=4 715 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [1,0,0,0,1,0|0,0,2]=4 716 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [1,0,0,0,1,0|2,0,0]=4 717 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [1,0,0,0,1,0|2,0,0]=4 718 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [1,0,0,0,1,0|1,0,0]=3 719 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [1,0,0,0,1,0|1,1,0]=4 720 B10R1.66 C1=CN(C=C1)CCC(=O)O D304839 [1,0,0,0,1,0|2,0,0]=4 721 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [1,0,0,0,1,0|2,0,0]=4 722 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [1,0,0,0,1,0|2,0,0]=4 723 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [1,0,0,0,1,0|2,0,0]=4 724 B10R1.66 CC(=O)SCC1=CC=CO1 F103056 [1,0,0,0,1,0|2,0,0]=4 725 B10R1.13 C1=CC(=CC=C1C(=N)N)O H121877 [0,0,0,0,2,0|2,0,0]=4 726 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Br B103223 [0,0,0,0,2,0|2,0,0]=4 727 B10R1.13 C1=CC(=CC=C1C(=O)Cl)Cl C106079 [0,0,0,0,2,0|2,0,0]=4 728 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F F109226 [0,0,0,0,2,0|2,0,0]=4 729 B10R1.13 C1=CC(=CC=C1C(=O)Cl)I I157591 [0,0,0,0,2,0|2,0,0]=4 730 B10R1.13 C1=CC(=CC=C1C(=O)N)Br B133990 [0,0,0,0,2,0|2,0,0]=4 731 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl C153725 [0,0,0,0,2,0|2,0,0]=4 732 B10R1.13 C1=CC(=CC=C1C(=O)N)F F109724 [0,0,0,0,2,0|2,0,0]=4 733 B10R1.13 C1=CC(=CC=C1C(=O)N)I I135499 [0,0,0,0,2,0|2,0,0]=4 734 B10R1.13 C1=CC(=CC=C1C(=O)N)N A107276 [0,0,0,0,2,0|2,0,0]=4 735 B10R1.13 C1=CC(=CC=C1C(=O)N)O H157094 [0,0,0,0,2,0|1,0,0]=3 736 B10R1.13 C1=CC(=CC=C1C(=O)O)Br B104344 [0,0,0,0,2,0|2,0,0]=4 737 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104333 [0,0,0,0,2,0|2,0,0]=4 738 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C104334 [0,0,0,0,2,0|2,0,0]=4 739 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl C433417 [0,0,0,0,2,0|2,0,0]=4 740 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105088 [0,0,0,0,2,0|2,0,0]=4 741 B10R1.13 C1=CC(=CC=C1C(=O)O)F F105089 [0,0,0,0,2,0|2,0,0]=4 742 B10R1.13 C1=CC(=CC=C1C(=O)O)I I105098 [0,0,0,0,2,0|2,0,0]=4 743 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108862 [0,0,0,0,2,0|2,0,0]=4 744 B10R1.13 C1=CC(=CC=C1C(=O)O)N A108863 [0,0,0,0,2,0|2,0,0]=4 745 B10R1.13 C1=CC(=CC=C1C(=O)O)N A421766 [0,0,0,0,2,0|2,0,0]=4 746 B10R1.13 C1=CC(=CC=C1C(=O)O)N A432150 [0,0,0,0,2,0|2,0,0]=4 747 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108508 [0,0,0,0,2,0|1,0,0]=3 748 B10R1.13 C1=CC(=CC=C1C(=O)O)O H108509 [0,0,0,0,2,0|1,0,0]=3 749 B10R1.13 C1=CC(=CC=C1C(=O)O)O P427231 [0,0,0,0,2,0|1,0,0]=3 750 B10R1.13 C1=CC(=CC=C1C(=O)O)S M100780 [0,0,0,0,2,0|1,1,0]=4 751 B10R1.13 C1=CC(=CC=C1C(=O)O)S M431355 [0,0,0,0,2,0|1,1,0]=4 752 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F S358726 [0,0,0,0,2,0|2,0,0]=4 753 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111607 [0,0,0,0,2,0|2,0,0]=4 754 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A111608 [0,0,0,0,2,0|2,0,0]=4 755 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A167159 [0,0,0,0,2,0|2,0,0]=4 756 B10R1.13 C1=CC(=CC=C1C(=O)[O-])N A474259 [0,0,0,0,2,0|2,0,0]=4 757 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105643 [0,0,0,0,2,0|1,0,0]=3 758 B10R1.13 C1=CC(=CC=C1C(=O)[O-])O H105644 [0,0,0,0,2,0|1,0,0]=3 759 B10R1.13 C1=CC(=CC=C1C(=S)N)O H101894 [0,0,0,0,2,0|1,1,0]=4 760 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N108643 [0,0,0,0,2,0|2,0,0]=4 761 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O N591132 [0,0,0,0,2,0|2,0,0]=4 762 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O P572406 [0,0,0,0,2,0|2,0,0]=4 763 B10R1.13 C1=CC(=NC=C1O)C(=O)O H156934 [0,0,0,0,2,0|2,0,0]=4 764 B10R1.13 CC(=C)C1=CC=C(C=C1)F F156644 [0,0,0,0,2,0|2,0,0]=4 765 B10R1.13 CC(=C)C1=CC=C(C=C1)O P193379 [0,0,0,0,2,0|1,0,0]=3 766 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [0,0,0,0,2,0|1,0,0]=3 767 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [0,0,0,0,2,0|1,0,0]=3 768 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [0,0,0,0,2,0|1,0,0]=3 769 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [0,0,0,0,2,0|1,0,0]=3 770 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [0,0,0,0,2,0|1,0,0]=3 771 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [0,0,0,0,2,0|1,0,0]=3 772 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [0,0,0,0,2,0|1,0,0]=3 773 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [0,0,0,0,2,0|0,0,0]=2 774 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [0,0,0,0,2,0|0,1,0]=3 775 B10R1.13 CC(=O)C1=CN=C(C=C1)Br B115765 [0,0,0,0,2,0|2,0,0]=4 776 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl A151743 [0,0,0,0,2,0|2,0,0]=4 777 B10R1.13 CC(=O)C1=CN=C(C=C1)F F186855 [0,0,0,0,2,0|2,0,0]=4 778 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [0,0,0,0,2,0|2,0,0]=4 779 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [0,0,0,0,2,0|1,0,0]=3 780 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [0,0,0,0,2,0|1,0,1]=4 781 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [0,0,0,0,2,0|0,0,2]=4 782 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [0,0,0,0,2,0|2,0,0]=4 783 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [0,0,0,0,2,0|1,0,0]=3 784 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [0,0,0,0,2,0|1,0,0]=3 785 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl T106376 [0,0,0,0,2,0|2,0,0]=4 786 B10R1.13 CC1=CC=C(C=C1)C(=O)N P160467 [0,0,0,0,2,0|2,0,0]=4 787 B10R1.13 CC1=CC=C(C=C1)C(=O)O T104320 [0,0,0,0,2,0|2,0,0]=4 788 B10R1.13 CC1=CC=C(C=C1)C(=O)O T119535 [0,0,0,0,2,0|2,0,0]=4 789 B10R1.13 CC1=CC=C(C=C1)C(=O)O T305431 [0,0,0,0,2,0|2,0,0]=4 790 B10R1.13 CC1=CC=C(C=C1)S(=O)C M304998 [0,0,0,0,2,0|2,0,0]=4 791 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [0,0,0,0,2,0|2,0,0]=4 792 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [0,0,0,0,2,0|2,0,0]=4 793 B10R1.13 CN(C)C1=CC=C(C=C1)O D194230 [0,0,0,0,2,0|2,0,0]=4 794 B10R1.13 CS(=O)C1=CC=C(C=C1)Br B188392 [0,0,0,0,2,0|2,0,0]=4 795 B10R1.13 C[S+](C)C1=CC=C(C=C1)O H156984 [0,0,0,0,2,0|2,0,0]=4 796 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [1,0,0,0,0,1|1,0,1]=4 797 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [1,0,0,0,0,1|1,0,0]=3 798 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [1,0,0,0,0,1|1,0,0]=3 799 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [1,0,0,0,0,1|1,0,0]=3 800 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [1,0,0,0,0,1|1,0,0]=3 801 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [1,0,0,0,0,1|1,0,0]=3 802 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [1,0,0,0,0,1|1,0,0]=3 803 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [1,0,0,0,0,1|1,0,0]=3 804 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [1,0,0,0,0,1|1,0,0]=3 805 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [1,0,0,0,0,1|0,0,0]=2 806 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [1,0,0,0,0,1|0,0,0]=2 807 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [1,0,0,0,0,1|0,0,0]=2 808 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [1,0,0,0,0,1|0,0,2]=4 809 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [1,0,0,0,0,1|0,0,2]=4 810 B14R1.677 C1=CC(=CC=C1CCCCC(=O)O)O H589197 [0,0,0,0,0,2|1,0,0]=3