0 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 C1=CC(=CN=C1)CCC(=O)O P136290 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.91 C1=CC=C(C=C1)C#CC(=O)O P133964 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [0,0,0,0,0,0|1,0,2]=3 9 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [0,0,0,0,0,0|0,0,2]=2 10 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [0,0,0,0,0,0|0,0,2]=2 11 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [0,0,0,0,0,0|0,0,2]=2 12 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [0,0,0,0,0,0|0,0,2]=2 13 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [0,0,0,0,0,0|0,0,2]=2 14 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [0,0,0,0,0,0|0,0,2]=2 15 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [0,0,0,0,0,0|0,0,3]=3 16 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [0,0,0,0,0,0|0,0,3]=3 17 B11R1.91 C1=CC=C(C=C1)C=C[N+](=O)[O-] N122699 [0,0,0,0,0,0|1,0,3]=4 18 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [0,0,0,0,0,0|0,0,0]=0 21 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [0,0,0,0,0,0|0,0,0]=0 22 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [0,0,0,0,0,0|0,0,0]=0 23 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [0,0,0,0,0,0|2,1,0]=3 26 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.91 C1=CC=C(C=C1)NCC(=O)[O-] N133268 [0,0,0,0,0,0|1,0,1]=2 32 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.91 C1=CC=C(C=C1)NNC(=S)N P160248 [0,0,0,0,0,0|3,1,0]=4 34 B11R1.91 C1=CC=C(C=C1)OCC(=N)N B301361 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.91 C1=CC=C(C=C1)OCC(=O)Cl P160117 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107024 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107025 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] S563686 [0,0,0,0,0,0|1,0,1]=2 40 B11R1.91 C1=CC=C(C=C1)SCC(=O)Cl B301376 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.91 C1=CC=C(C=C1)SCC(=O)O P101811 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [0,0,0,0,0,0|1,0,2]=3 43 B11R1.91 C1=CC=NC(=C1)CCC(=O)O P167476 [0,0,0,0,0,0|1,0,0]=1 44 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [0,0,0,0,0,0|1,0,2]=3 45 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [0,0,0,0,0,0|1,0,2]=3 46 B11R1.91 C1=CN=CC=C1CCC(=O)O P171257 [0,0,0,0,0,0|1,0,0]=1 47 B11R1.91 C1=CN=CC=C1SCC(=O)O P109703 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [0,0,0,0,0,0|1,0,2]=3 50 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [0,0,0,0,0,0|1,0,2]=3 51 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [0,0,0,0,0,0|1,0,2]=3 52 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [0,0,0,0,0,0|1,0,2]=3 53 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [0,0,0,0,0,0|1,0,0]=1 54 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.91 CC(C)NCC1=CC=CC=C1 B100437 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [0,0,0,0,0,0|1,0,1]=2 62 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [0,0,0,0,0,0|1,0,1]=2 63 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [0,0,0,0,0,0|1,0,1]=2 64 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [0,0,0,0,0,0|2,0,1]=3 65 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.17 C#CCOC1=CC=CC=C1 P113824 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [1,0,0,0,0,0|0,0,2]=3 72 B10R1.17 C1=CC=C(C=C1)C#CCO P111395 [1,0,0,0,0,0|0,0,3]=4 73 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [1,0,0,0,0,0|0,0,2]=3 74 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [1,0,0,0,0,0|0,0,2]=3 75 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [1,0,0,0,0,0|0,0,2]=3 77 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [1,0,0,0,0,0|0,0,2]=3 78 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [1,0,0,0,0,0|0,0,3]=4 79 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [1,0,0,0,0,0|0,0,3]=4 80 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [1,0,0,0,0,0|0,0,3]=4 81 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [1,0,0,0,0,0|1,0,1]=3 82 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,0,0,0,0,0|0,0,0]=1 83 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,0,0,0,0,0|0,0,1]=2 89 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.17 C1=CC=C(C=C1)CN=C=S B140288 [1,0,0,0,0,0|1,1,1]=4 93 B10R1.17 C1=CC=C(C=C1)CN=C=S B425154 [1,0,0,0,0,0|1,1,1]=4 94 B10R1.17 C1=CC=C(C=C1)CN=[N+]=[N-] B189174 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.17 C1=CC=C(C=C1)CSC#N B152183 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.17 C1=CC=C(C=C1)NCC#N P192616 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [1,0,0,0,0,0|1,0,1]=3 102 B10R1.17 C1=CC=C(C=C1)OCC#N P160111 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [1,0,0,0,0,0|1,0,1]=3 108 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [1,0,0,0,0,0|1,0,1]=3 109 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [1,0,0,0,0,0|1,0,1]=3 115 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.17 C1=CN=CC=C1CCCN P192638 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.17 C1=CN=CC=C1CCCO P160633 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [1,0,0,0,0,0|1,0,2]=4 119 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,0,0,0,0|1,0,1]=3 125 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,0,0,0,0|1,0,1]=3 126 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,0,0,0,0|1,0,1]=3 127 B10R1.17 CCCCC1=CN=CC=C1 B115782 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.17 CNCCC1=CC=CC=N1 B102783 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.17 CNCCC1=CC=CC=N1 B152161 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.17 CNCCC1=CC=CC=N1 B301305 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.17 CNCCC1=CC=CC=N1 B424673 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.17 CNCCC1=CC=CC=N1 M424771 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.17 COCCC1=CC=CC=N1 M157981 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.17 COCSC1=CC=CC=C1 M158419 [1,0,0,0,0,0|3,0,0]=4 144 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Br B405223 [0,1,0,0,0,0|0,0,2]=3 145 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Cl C404131 [0,1,0,0,0,0|0,0,2]=3 146 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [0,1,0,0,0,0|1,0,2]=4 147 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [0,1,0,0,0,0|0,0,2]=3 148 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [0,1,0,0,0,0|0,0,2]=3 149 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [0,1,0,0,0,0|0,0,2]=3 150 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [0,1,0,0,0,0|0,0,2]=3 152 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [0,1,0,0,0,0|0,0,2]=3 153 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [0,1,0,0,0,0|0,0,2]=3 154 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [0,1,0,0,0,0|0,0,2]=3 155 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [0,1,0,0,0,0|0,0,2]=3 156 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [0,1,0,0,0,0|0,0,2]=3 157 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br B123074 [0,1,0,0,0,0|0,0,0]=1 158 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [0,1,0,0,0,0|0,0,0]=1 159 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F F156733 [0,1,0,0,0,0|0,0,0]=1 160 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N A151460 [0,1,0,0,0,0|0,0,0]=1 161 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [0,1,0,0,0,0|0,0,0]=1 162 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [0,1,0,0,0,0|0,0,0]=1 163 B12R1.21 C1=CC(=CC=C1N)OCC(=O)O A588272 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O A165606 [0,1,0,0,0,0|1,0,0]=2 165 B12R1.21 C1=CC(=CC=C1NCC(=O)O)F F169812 [0,1,0,0,0,0|1,0,0]=2 166 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl C153889 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br B152378 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102889 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102890 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F F170192 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I I120189 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [0,1,0,0,0,0|1,0,2]=4 173 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O H156889 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl C169088 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.21 CC(CCC1=CC=C(C=C1)O)O R134727 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [0,1,0,0,0,0|0,0,2]=3 177 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O P138270 [0,1,0,0,0,0|0,0,0]=1 178 B12R1.21 CC1=CC=C(C=C1)COC(=O)C M117867 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O M158250 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H115723 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.21 CN(C)CCC1=CC=C(C=C1)O H194142 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H408782 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr B104541 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.27 C1=CC=C(C=C1)COC(=O)CCl B152737 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.27 C1=CC=C(C=C1)COC(=O)CO B135438 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.27 C1=CC=C(C=C1)COC(=O)NO N159551 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.27 C1=CC=C(C=C1)OCC(CO)O P133480 [0,1,0,0,0,0|1,0,2]=4 192 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B122888 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B151902 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.27 CC(CO)NCC1=CC=CC=C1 S589912 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [0,1,0,0,0,0|0,0,2]=3 197 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [0,1,0,0,0,0|0,0,2]=3 198 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [0,1,0,0,0,0|0,0,2]=3 199 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [0,1,0,0,0,0|0,0,2]=3 200 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [0,1,0,0,0,0|0,0,0]=1 201 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [0,1,0,0,0,0|0,0,0]=1 202 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [0,1,0,0,0,0|1,0,0]=2 204 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N H191553 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117036 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117038 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P137854 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [0,1,0,0,0,0|0,0,1]=2 209 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [0,1,0,0,0,0|0,0,1]=2 210 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)Br B587562 [0,1,0,0,0,0|0,0,0]=1 214 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N D425386 [0,1,0,0,0,0|0,0,0]=1 215 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N L354493 [0,1,0,0,0,0|0,0,0]=1 216 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P103489 [0,1,0,0,0,0|0,0,0]=1 217 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P109094 [0,1,0,0,0,0|0,0,0]=1 218 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110424 [0,1,0,0,0,0|0,0,0]=1 219 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110425 [0,1,0,0,0,0|0,0,0]=1 220 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [0,1,0,0,0,0|0,0,0]=1 221 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [0,1,0,0,0,0|0,0,0]=1 222 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [0,1,0,0,0,0|0,0,0]=1 223 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [0,1,0,0,0,0|0,0,0]=1 224 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [0,1,0,0,0,0|1,0,1]=3 225 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N A167909 [0,1,0,0,0,0|1,0,0]=2 226 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N P117035 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A107875 [0,1,0,0,0,0|1,0,0]=2 228 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A165279 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N P160400 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [0,1,0,0,0,0|0,0,1]=2 231 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,1,0,0,0,0|0,0,2]=3 232 B12R1.43 CC(C(=O)Cl)OC1=CC=CC=C1 P160289 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.43 CC(C(=O)O)OC1=CC=CC=C1 P114961 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O M165389 [0,1,0,0,0,0|0,0,0]=1 235 B12R1.43 CC(CC1=CC=CC=N1)C(=O)O M586148 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N A151148 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] B472535 [0,1,0,0,0,0|1,0,2]=4 238 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [0,1,0,0,0,0|0,0,0]=1 239 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [0,1,0,0,0,0|0,0,0]=1 240 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [0,1,0,0,0,0|0,0,0]=1 241 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [0,1,0,0,0,0|0,0,0]=1 242 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [0,1,0,0,0,0|1,0,1]=3 243 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C D303544 [0,1,0,0,0,0|2,0,0]=3 244 B12R1.107 CC(C1=CC=CC=C1)OC(=O)C P195955 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [0,1,0,0,0,0|0,0,0]=1 246 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl C300799 [0,1,0,0,0,0|1,0,2]=4 248 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Br B101936 [0,1,0,0,0,0|0,0,2]=3 249 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl C103595 [0,1,0,0,0,0|0,0,2]=3 250 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F F101930 [0,1,0,0,0,0|0,0,2]=3 251 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [0,1,0,0,0,0|0,0,2]=3 252 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [0,1,0,0,0,0|0,0,0]=1 253 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [0,1,0,0,0,0|0,0,0]=1 254 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [0,1,0,0,0,0|0,0,0]=1 255 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [0,1,0,0,0,0|0,0,0]=1 256 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [0,1,0,0,0,0|0,0,0]=1 257 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl C115720 [0,1,0,0,0,0|1,0,0]=2 258 B12R1.125 CC(CCC1=CC=CC=C1Cl)N S286923 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.125 CC1=CC=CC=C1C=CC(=O)O M158080 [0,1,0,0,0,0|0,0,2]=3 260 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [0,1,0,0,0,0|0,0,0]=1 261 B12R1.125 CC1=CC=CC=C1OCC(=O)O M168158 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.125 CC1=CC=CC=C1OCC(C)O M158676 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.226 C1=C(N=C(C=N1)Cl)SCC(=O)O B300947 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [0,1,0,0,0,0|0,0,2]=3 265 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [0,1,0,0,0,0|0,0,2]=3 266 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O W135520 [0,1,0,0,0,0|0,0,0]=1 267 B12R1.226 C1=CC(=CC(=C1)Br)OCC(=O)O B587723 [0,1,0,0,0,0|1,0,0]=2 268 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [0,1,0,0,0,0|0,0,2]=3 269 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [0,1,0,0,0,0|0,0,2]=3 270 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O C132834 [0,1,0,0,0,0|0,0,0]=1 271 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O C185405 [0,1,0,0,0,0|1,0,0]=2 272 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [0,1,0,0,0,0|0,0,2]=3 273 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [0,1,0,0,0,0|0,0,2]=3 274 B12R1.226 C1=CC(=CC(=C1)F)CCC(=O)O F138869 [0,1,0,0,0,0|0,0,0]=1 275 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [0,1,0,0,0,0|0,0,2]=3 276 B12R1.226 C1=CC(=CC(=C1)N)CCC(=O)O A191401 [0,1,0,0,0,0|0,0,0]=1 277 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [0,1,0,0,0,0|0,0,2]=3 278 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [0,1,0,0,0,0|0,0,0]=1 279 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [0,1,0,0,0,0|0,0,0]=1 280 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [0,1,0,0,0,0|0,0,2]=3 281 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [0,1,0,0,0,0|0,0,0]=1 282 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N M351510 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O M132501 [0,1,0,0,0,0|1,0,0]=2 284 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P191136 [0,1,0,0,0,0|1,0,2]=4 285 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P466427 [0,1,0,0,0,0|1,0,2]=4 286 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P475427 [0,1,0,0,0,0|1,0,2]=4 287 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P475428 [0,1,0,0,0,0|1,0,2]=4 288 B12R1.891 C1=CC=C(C=C1)C=CS(=O)(=O)O P476790 [0,1,0,0,0,0|1,0,2]=4 289 B12R1.891 C1=CC=C(C=C1)CCP(=O)(O)O P133714 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.891 C1=CC=C(C=C1)CC[Si](Cl)(Cl)Cl T337325 [0,1,0,0,0,0|2,1,0]=4 291 B12R1.891 C1=CN=CC=C1CCS(=O)(=O)O P160784 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.891 CC(C)(CCC1=CC=CC=C1)O M158675 [0,1,0,0,0,0|1,0,1]=3 293 B12R1.891 C[Si](CCC1=CC=CC=C1)(Cl)Cl D349605 [0,1,0,0,0,0|2,1,0]=4 294 B12R1.891 [B-](CCC1=CC=CC=C1)(F)(F)F P169611 [0,1,0,0,0,0|3,0,0]=4 295 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [0,0,0,1,0,0|2,0,1]=4 296 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [0,0,0,1,0,0|1,0,2]=4 297 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [0,0,0,1,0,0|0,0,2]=3 298 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [0,0,0,1,0,0|0,0,2]=3 299 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [0,0,0,1,0,0|0,0,2]=3 300 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [0,0,0,1,0,0|0,0,2]=3 301 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [0,0,0,1,0,0|0,0,2]=3 302 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [0,0,0,1,0,0|2,0,1]=4 303 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [0,0,0,1,0,0|1,0,2]=4 304 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [0,0,0,1,0,0|1,0,2]=4 305 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [0,0,0,1,0,0|1,0,2]=4 306 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [0,0,0,1,0,0|1,0,2]=4 307 B12R2.24 C1C(=O)NC2=C(O1)C=CC=N2 H137095 [0,0,0,1,0,0|3,0,0]=4 308 B12R2.24 C1C(=O)NC2=C(O1)C=CN=C2 H165504 [0,0,0,1,0,0|3,0,0]=4 309 B12R2.24 C1C(=O)NC2=C(O1)N=CC=C2 H167101 [0,0,0,1,0,0|3,0,0]=4 310 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [0,0,0,1,0,0|2,0,0]=3 311 B12R2.24 C1C(=O)NC2=CC=CC=C2S1 H157316 [0,0,0,1,0,0|2,0,0]=3 312 B12R2.24 C1C2=CC=CC=C2COC1=O I138843 [0,0,0,1,0,0|2,0,0]=3 313 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [0,0,0,1,0,0|1,0,0]=2 314 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D107582 [0,0,0,1,0,0|0,0,0]=1 315 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D420880 [0,0,0,1,0,0|0,0,0]=1 316 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,1,0,0|1,0,0]=2 317 B12R2.24 C1CN2C=CC=CC2=NC1=O D138970 [0,0,0,1,0,0|2,0,0]=3 318 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,1,0,0|2,0,1]=4 319 B12R2.92 C1C(C1(Cl)Cl)C2=CC=CC=C2 D102237 [0,0,0,1,0,0|2,0,1]=4 320 B12R2.2057 C1C(O1)COC2=CC=CC=C2 G156841 [0,0,0,1,0,0|2,0,1]=4 321 B12R2.2057 C1C(O1)COC2=CC=CC=C2 O123062 [0,0,0,1,0,0|2,0,1]=4 322 B12R2.2057 C1C(O1)COC2=CC=CC=C2 S139208 [0,0,0,1,0,0|2,0,1]=4 323 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [0,0,0,0,1,0|2,0,0]=3 324 B10R1.18 C1=CC(=CN=C1)CC(=O)O P107547 [0,0,0,0,1,0|1,0,0]=2 325 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [0,0,0,0,1,0|2,0,0]=3 326 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [0,0,0,0,1,0|1,0,0]=2 327 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [0,0,0,0,1,0|1,0,0]=2 328 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [0,0,0,0,1,0|1,0,0]=2 329 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [0,0,0,0,1,0|0,0,0]=1 330 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [0,0,0,0,1,0|1,1,0]=3 331 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [0,0,0,0,1,0|1,0,1]=3 332 B10R1.18 C1=CC=C(C=C1)N=C(N)N P131885 [0,0,0,0,1,0|3,0,0]=4 333 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [0,0,0,0,1,0|2,0,0]=3 334 B10R1.18 C1=CC=C(C=C1)NC(=S)N P110661 [0,0,0,0,1,0|2,1,0]=4 335 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [0,0,0,0,1,0|2,0,0]=3 336 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [0,0,0,0,1,0|2,0,0]=3 337 B10R1.18 C1=CC=C(C=C1)OC(=S)Cl P119482 [0,0,0,0,1,0|2,1,0]=4 338 B10R1.18 C1=CC=C(C=C1)SC(=S)Cl P160306 [0,0,0,0,1,0|2,1,0]=4 339 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [0,0,0,0,1,0|1,0,0]=2 340 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [0,0,0,0,1,0|2,0,0]=3 341 B10R1.18 C1=CN=CC=C1CC(=O)O P101990 [0,0,0,0,1,0|1,0,0]=2 342 B10R1.18 CC(=CC1=CC=CC=C1)C M158507 [0,0,0,0,1,0|2,0,1]=4 343 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [0,0,0,0,1,0|2,0,0]=3 344 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [0,0,0,0,1,0|2,0,0]=3 345 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [0,0,0,0,1,0|2,0,0]=3 346 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [0,0,0,0,1,0|2,0,0]=3 347 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [0,0,0,0,1,0|2,0,0]=3 348 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [0,0,0,0,1,0|2,0,0]=3 349 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [0,0,0,0,1,0|2,0,0]=3 350 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [0,0,0,0,1,0|2,0,0]=3 351 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [0,0,0,0,1,0|3,0,0]=4 352 B10R1.18 CC(=O)NC1=CC=NC=C1 A151787 [0,0,0,0,1,0|3,0,0]=4 353 B10R1.18 CC(=O)NC1=CN=CC=C1 A151789 [0,0,0,0,1,0|3,0,0]=4 354 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [0,0,0,0,1,0|2,0,0]=3 355 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [0,0,0,0,1,0|2,0,0]=3 356 B10R1.18 CC(=O)OC1=CN=CC=C1 A151785 [0,0,0,0,1,0|3,0,0]=4 357 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [0,0,0,0,1,0|2,0,0]=3 358 B10R1.18 CC(=S)NC1=CC=CC=C1 T161816 [0,0,0,0,1,0|2,1,0]=4 359 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [0,0,0,0,1,0|2,0,1]=4 360 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [0,0,0,0,1,0|2,0,1]=4 361 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [0,0,0,0,1,0|2,0,1]=4 362 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [0,0,0,0,1,0|2,0,1]=4 363 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [0,0,0,0,1,0|1,0,1]=3 364 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [0,0,0,0,1,0|3,0,0]=4 365 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [0,0,0,0,1,0|3,0,0]=4 366 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [0,0,0,0,1,0|2,0,0]=3 367 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [0,0,0,0,1,0|2,1,0]=4 368 B10R1.66 C1=C(NC=N1)CCC(=O)O I165812 [0,0,0,0,1,0|2,0,0]=3 369 B10R1.66 C1=CN(C=C1)CCC(=O)O D304839 [0,0,0,0,1,0|1,0,0]=2 370 B10R1.66 C1=COC(=C1)C=CC(=O)O F103094 [0,0,0,0,1,0|1,0,2]=4 371 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,0,0,0,1,0|1,0,0]=2 372 B10R1.66 C1=COC(=C1)CNC(=O)N F339428 [0,0,0,0,1,0|3,0,0]=4 373 B10R1.66 C1=COC=C1C=CC(=O)O T341153 [0,0,0,0,1,0|1,0,2]=4 374 B10R1.66 C1=CSC(=C1)C=CC(=O)O T124452 [0,0,0,0,1,0|1,0,2]=4 375 B10R1.66 C1=CSC(=C1)C=CC(=O)O T162810 [0,0,0,0,1,0|1,0,2]=4 376 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [0,0,0,0,1,0|1,0,0]=2 377 B10R1.66 C1=CSC=C1C=CC(=O)O E171720 [0,0,0,0,1,0|1,0,2]=4 378 B10R1.66 CC(=O)OCC1=CC=CO1 F116599 [0,0,0,0,1,0|3,0,0]=4 379 B10R1.66 CC(=O)SCC1=CC=CO1 F103056 [0,0,0,0,1,0|3,0,0]=4 380 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [0,0,0,0,0,1|0,0,1]=2 381 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [0,0,0,0,0,1|0,0,0]=1 382 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [0,0,0,0,0,1|0,0,0]=1 383 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [0,0,0,0,0,1|0,0,1]=2 384 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [0,0,0,0,0,1|0,0,0]=1 385 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [0,0,0,0,0,1|0,0,0]=1 386 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [0,0,0,0,0,1|1,0,0]=2 387 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [0,0,0,0,0,1|0,0,0]=1 388 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [0,0,0,0,0,1|0,0,0]=1 389 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [0,0,0,0,0,1|1,0,0]=2 390 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [0,0,0,0,0,1|1,0,0]=2 391 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [0,0,0,0,0,1|1,0,0]=2 392 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [0,0,0,0,0,1|1,0,1]=3 393 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [0,0,0,0,0,1|1,0,1]=3 394 B9R1.8 C1=CC(=CN=C1)CCN A151786 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.8 C1=CC(=CN=C1)CCN A169450 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.8 C1=CC=C(C=C1)C=CBr B152003 [2,0,0,0,0,0|1,0,1]=4 397 B9R1.8 C1=CC=C(C=C1)C=NO T135657 [2,0,0,0,0,0|1,0,1]=4 398 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|0,0,0]=2 399 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|0,0,0]=2 400 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|0,0,0]=2 401 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.8 C1=CC=C(C=C1)CCI I138375 [2,0,0,0,0,0|1,0,0]=3 404 B9R1.8 C1=CC=C(C=C1)CCN P105641 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.8 C1=CC=C(C=C1)CCN P160641 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.8 C1=CC=C(C=C1)CCN P290339 [2,0,0,0,0,0|1,0,0]=3 407 B9R1.8 C1=CC=C(C=C1)CCN P408003 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.8 C1=CC=C(C=C1)CCN P421867 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.8 C1=CC=C(C=C1)CCN P425250 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.8 C1=CC=C(C=C1)CCN P491880 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.8 C1=CC=C(C=C1)CCN P493037 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.8 C1=CC=C(C=C1)CCN P493125 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.8 C1=CC=C(C=C1)CCO P108195 [2,0,0,0,0,0|0,0,0]=2 414 B9R1.8 C1=CC=C(C=C1)CCO P108197 [2,0,0,0,0,0|0,0,0]=2 415 B9R1.8 C1=CC=C(C=C1)CCO P424995 [2,0,0,0,0,0|0,0,0]=2 416 B9R1.8 C1=CC=C(C=C1)CCS P160530 [2,0,0,0,0,0|0,1,0]=3 417 B9R1.8 C1=CC=C(C=C1)CNN B122576 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.8 C1=CC=C(C=C1)CNN B137990 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.8 C1=CC=C(C=C1)CNN B464175 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.8 C1=CC=C(C=C1)CNO I137166 [2,0,0,0,0,0|1,0,0]=3 421 B9R1.8 C1=CC=C(C=C1)CON O159948 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.8 C1=CC=C(C=C1)CON O189173 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.8 C1=CC=C(C=C1)N=C=O P304914 [2,0,0,0,0,0|1,0,1]=4 424 B9R1.8 C1=CC=C(C=C1)N=S=O N159148 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.8 C1=CC=C(C=C1)NC=O F112354 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.8 C1=CC=NC(=C1)CCN A151790 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.8 C1=CC=NC(=C1)CCO P160791 [2,0,0,0,0,0|1,0,0]=3 431 B9R1.8 C1=CN=CC=C1CCN A109738 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.8 C1=CN=CC=C1CCS P134707 [2,0,0,0,0,0|1,1,0]=4 433 B9R1.8 C1=CN=CC=C1CCS P478833 [2,0,0,0,0,0|1,1,0]=4 434 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|0,0,1]=3 435 B9R1.8 C=CSC1=CC=CC=C1 P101810 [2,0,0,0,0,0|1,0,1]=4 436 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [2,0,0,0,0,0|0,0,2]=4 437 B9R1.8 CC=CC1=CC=CC=C1 C153576 [2,0,0,0,0,0|1,0,1]=4 438 B9R1.8 CC=CC1=CC=CC=C1 M136687 [2,0,0,0,0,0|1,0,1]=4 439 B9R1.8 CC=CC1=CC=CC=C1 T134052 [2,0,0,0,0,0|1,0,1]=4 440 B9R1.8 CC=CC1=CC=CC=C1 T301941 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|0,0,1]=3 442 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|0,0,1]=3 443 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|0,0,1]=3 444 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|0,0,1]=3 445 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|0,0,1]=3 446 B9R1.8 CCCC1=CC=CC=N1 P160637 [2,0,0,0,0,0|1,0,1]=4 447 B9R1.8 CCCC1=CC=NC=C1 P160632 [2,0,0,0,0,0|1,0,1]=4 448 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [2,0,0,0,0,0|1,0,1]=4 449 B9R1.8 CCNC1=CC=CC=C1 E103974 [2,0,0,0,0,0|1,0,1]=4 450 B9R1.8 CCOC1=CC=CC=C1 E108654 [2,0,0,0,0,0|1,0,1]=4 451 B9R1.8 CCOC1=CC=CC=C1 E108655 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.8 CCSC1=CC=CC=C1 E101809 [2,0,0,0,0,0|1,0,1]=4 453 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|1,0,1]=4 454 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|1,0,1]=4 455 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|1,0,1]=4 456 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|1,0,1]=4 457 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [2,0,0,0,0,0|1,0,1]=4 458 B11R1.1 C1=CC(=CC=C1C=CC=O)Br T102188 [1,1,0,0,0,0|0,0,2]=4 459 B11R1.1 C1=CC(=CC=C1C=CC=O)Cl E193580 [1,1,0,0,0,0|0,0,2]=4 460 B11R1.1 C1=CC(=CC=C1C=CC=O)F F156576 [1,1,0,0,0,0|0,0,2]=4 461 B11R1.1 C1=CC(=CC=C1CCCN)Cl C191754 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [1,1,0,0,0,0|0,0,1]=3 463 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [1,1,0,0,0,0|0,0,1]=3 464 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [1,1,0,0,0,0|0,0,1]=3 465 B11R1.1 C1=CC(=CC=C1CN=C=O)Br B352069 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.1 C1=CC(=CC=C1OCCO)Br B140261 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.1 C1=CC(=CC=C1OCCO)Cl C140392 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.1 CC1=CC=C(C=C1)C=CC=O E589502 [1,1,0,0,0,0|0,0,2]=4 469 B11R1.1 CC1=CC=C(C=C1)OCC=C A151094 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.1 CC1=CC=C(C=C1)OCCO E140276 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123100 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123101 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C153387 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101338 [1,1,0,0,0,0|0,0,1]=3 481 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101343 [1,1,0,0,0,0|0,0,1]=3 482 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101349 [1,1,0,0,0,0|0,0,1]=3 483 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.16 CC(C1=CC=CC=C1)N=C=O I132137 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.16 CC(C1=CC=CC=C1)N=C=O R160892 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,1,0,0,0,0|0,0,0]=2 487 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [1,1,0,0,0,0|0,0,1]=3 488 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [1,1,0,0,0,0|0,0,1]=3 489 B11R1.16 CC(CNC)C1=CC=CC=C1 P342591 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.16 CCCC(C1=CC=CC=C1)O P160157 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.16 CCCC(C1=CC=CC=C1)O R468963 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.16 CCCC(C1=CC=CC=C1)O S468962 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.16 CN(CCO)C1=CC=CC=C1 M140172 [1,1,0,0,0,0|1,0,1]=4 494 B11R1.16 CNCC(C1=CC=CC=C1)O M351446 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.16 COCC(C1=CC=CC=C1)N R185788 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [1,1,0,0,0,0|0,0,2]=4 497 B11R1.17 C1=CC=C(C(=C1)C=CC=O)O H157419 [1,1,0,0,0,0|0,0,2]=4 498 B11R1.17 C1=CC=C(C(=C1)CCC#N)Cl C194792 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [1,1,0,0,0,0|0,0,1]=3 500 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F F166980 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.17 C1=CC=C(C(=C1)O)OCCO H473338 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.17 CC1=CC=CC=C1OCC=C A354200 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.17 CCCCC1=CC=CC=C1N B151822 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.24 C1=CC(=CC(=C1)Cl)CCC=O C167090 [1,1,0,0,0,0|0,0,0]=2 505 B11R1.24 C1=CC(=CC(=C1)F)CCCBr B587429 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.24 CC1=CC(=CC=C1)C=CC=O E590785 [1,1,0,0,0,0|0,0,2]=4 507 B11R1.24 CC1=CC(=CC=C1)CN=C=O M352458 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.24 CC1=CC(=CC=C1)OCCO E156106 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.28 C#CCOCC1=CC=CC=C1 P589024 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [1,1,0,0,0,0|1,0,1]=4 515 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [1,1,0,0,0,0|1,0,1]=4 516 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [1,1,0,0,0,0|0,0,1]=3 517 B11R1.28 C1=CC=C(C=C1)CCN=C=O P160767 [1,1,0,0,0,0|0,0,1]=3 518 B11R1.28 C1=CC=C(C=C1)CCN=C=S P102544 [1,1,0,0,0,0|0,1,1]=4 519 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,1,0,0,0,0|0,0,0]=2 520 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,1,0,0,0,0|0,0,0]=2 521 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [1,1,0,0,0,0|0,0,1]=3 523 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,1,0,0,0,0|0,0,0]=2 524 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [1,1,0,0,0,0|0,0,1]=3 528 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [1,1,0,0,0,0|0,0,1]=3 529 B11R1.28 C1=CC=C(C=C1)NCCC#N A151772 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [1,1,0,0,0,0|0,0,1]=3 531 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [1,1,0,0,0,0|1,0,1]=4 532 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [1,1,0,0,0,0|0,0,1]=3 534 B11R1.28 C1=CN=CC=C1CCCCO P193755 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.28 C=CCNCC1=CC=CC=C1 N158987 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [1,1,0,0,0,0|1,0,1]=4 540 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.28 OCCSCc1ccccc1 H109405 [1,1,0,0,0,0|0,0,1]=3 544 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br B102162 [1,1,0,0,0,0|0,0,2]=4 545 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Cl C102191 [1,1,0,0,0,0|0,0,2]=4 546 B11R1.40 C1=CC=C(C=C1)CC(CO)N P100530 [1,1,0,0,0,0|0,0,1]=3 547 B11R1.40 C1=CC=C(C=C1)CC(CO)N P109244 [1,1,0,0,0,0|0,0,1]=3 548 B11R1.40 C1=CC=C(C=C1)CC(CO)N S160981 [1,1,0,0,0,0|0,0,1]=3 549 B11R1.40 CC(=CC1=CC=CC=C1)C=O M102181 [1,1,0,0,0,0|0,0,2]=4 550 B11R1.40 CC(=CC1=CC=CC=C1)C=O M302967 [1,1,0,0,0,0|0,0,2]=4 551 B11R1.40 CC(CO)OC1=CC=CC=C1 P160292 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.40 CCC(CC1=CC=CC=C1)O E352402 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)Cl C153891 [0,1,0,0,1,0|1,0,0]=3 555 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F F469238 [0,1,0,0,1,0|1,0,0]=3 556 B11R1.20 C1=CC(=CC=C1CC(=O)N)O H117443 [0,1,0,0,1,0|1,0,0]=3 557 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br B101317 [0,1,0,0,1,0|0,0,0]=2 558 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl C103600 [0,1,0,0,1,0|0,0,0]=2 559 B11R1.20 C1=CC(=CC=C1CC(=O)O)F F115807 [0,1,0,0,1,0|0,0,0]=2 560 B11R1.20 C1=CC(=CC=C1CC(=O)O)I I132292 [0,1,0,0,1,0|0,0,0]=2 561 B11R1.20 C1=CC(=CC=C1CC(=O)O)N A110093 [0,1,0,0,1,0|0,0,0]=2 562 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H103972 [0,1,0,0,1,0|0,0,0]=2 563 B11R1.20 C1=CC(=CC=C1CC(=O)O)O H421869 [0,1,0,0,1,0|0,0,0]=2 564 B11R1.20 C1=CC(=CC=C1CC(=O)O)S M471020 [0,1,0,0,1,0|0,0,0]=2 565 B11R1.20 C1=CC(=CC=C1NC(=O)N)Br B152706 [0,1,0,0,1,0|2,0,0]=4 566 B11R1.20 C1=CC(=CC=C1NC(=O)N)Cl C167191 [0,1,0,0,1,0|2,0,0]=4 567 B11R1.20 C1=CC(=CC=C1NC(=O)N)F F156722 [0,1,0,0,1,0|2,0,0]=4 568 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl C139256 [0,1,0,0,1,0|2,0,0]=4 569 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)F F193118 [0,1,0,0,1,0|2,0,0]=4 570 B11R1.20 C1=CC(=NC=C1Br)CC(=O)O B168241 [0,1,0,0,1,0|1,0,0]=3 571 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl C134957 [0,1,0,0,1,0|1,0,0]=3 572 B11R1.20 CC(=O)CC1=CC=C(C=C1)Br B133524 [0,1,0,0,1,0|1,0,0]=3 573 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl C136193 [0,1,0,0,1,0|1,0,0]=3 574 B11R1.20 CC(=O)CC1=CC=C(C=C1)F F123996 [0,1,0,0,1,0|1,0,0]=3 575 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br B152718 [0,1,0,0,1,0|2,0,0]=4 576 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl C105638 [0,1,0,0,1,0|2,0,0]=4 577 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F124470 [0,1,0,0,1,0|2,0,0]=4 578 B11R1.20 CC(=O)NC1=CC=C(C=C1)F F579463 [0,1,0,0,1,0|2,0,0]=4 579 B11R1.20 CC(=O)NC1=CC=C(C=C1)I I135865 [0,1,0,0,1,0|2,0,0]=4 580 B11R1.20 CC(=O)NC1=CC=C(C=C1)N A100947 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105807 [0,1,0,0,1,0|2,0,0]=4 582 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105808 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A105809 [0,1,0,0,1,0|2,0,0]=4 584 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A135872 [0,1,0,0,1,0|2,0,0]=4 585 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A136987 [0,1,0,0,1,0|2,0,0]=4 586 B11R1.20 CC(=O)NC1=CC=C(C=C1)O A305928 [0,1,0,0,1,0|2,0,0]=4 587 B11R1.20 CC(=O)NC1=CC=C(C=C1)S A100956 [0,1,0,0,1,0|2,0,0]=4 588 B11R1.20 CC(=O)OC1=CC=C(C=C1)F A124503 [0,1,0,0,1,0|2,0,0]=4 589 B11R1.20 CC(=O)OC1=CC=C(C=C1)O A588726 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.20 CC1=CC=C(C=C1)CC(=O)O T100785 [0,1,0,0,1,0|0,0,0]=2 591 B11R1.20 CC1=CC=C(C=C1)NC(=O)C P160549 [0,1,0,0,1,0|2,0,0]=4 592 B11R1.20 CC1=CC=C(C=C1)OC(=O)C P160555 [0,1,0,0,1,0|2,0,0]=4 593 B11R1.20 CC1=CC=C(C=C1)OC(=O)Cl P343127 [0,1,0,0,1,0|2,0,0]=4 594 B11R1.20 CC1=NC=C(C=C1)CC(=O)O M573259 [0,1,0,0,1,0|1,0,0]=3 595 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P100867 [0,1,0,0,1,0|0,0,1]=3 596 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O P425066 [0,1,0,0,1,0|0,0,1]=3 597 B11R1.36 C1=CC=C(C=C1)C(C(=O)Cl)Cl D133626 [0,1,0,0,1,0|1,0,0]=3 598 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N D189180 [0,1,0,0,1,0|1,0,0]=3 599 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)N S185796 [0,1,0,0,1,0|1,0,0]=3 600 B11R1.36 C1=CC=C(C=C1)C(C(=O)N)O M342074 [0,1,0,0,1,0|1,0,0]=3 601 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br B107957 [0,1,0,0,1,0|0,0,0]=2 602 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Cl C170509 [0,1,0,0,1,0|0,0,0]=2 603 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)F A131766 [0,1,0,0,1,0|0,0,0]=2 604 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P101745 [0,1,0,0,1,0|0,0,0]=2 605 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109235 [0,1,0,0,1,0|0,0,0]=2 606 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N P109236 [0,1,0,0,1,0|0,0,0]=2 607 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O D304135 [0,1,0,0,1,0|0,0,0]=2 608 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104996 [0,1,0,0,1,0|0,0,0]=2 609 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M104997 [0,1,0,0,1,0|0,0,0]=2 610 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M107076 [0,1,0,0,1,0|0,0,0]=2 611 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O M111210 [0,1,0,0,1,0|0,0,0]=2 612 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O R425065 [0,1,0,0,1,0|0,0,0]=2 613 B11R1.36 C1=CC=C(C=C1)C(C(=O)[O-])O S161413 [0,1,0,0,1,0|0,0,1]=3 614 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N R137145 [0,1,0,0,1,0|0,0,2]=4 615 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O P121707 [0,1,0,0,1,0|0,0,1]=3 616 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P194033 [0,1,0,0,1,0|1,0,1]=4 617 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 N159396 [0,1,0,0,1,0|2,0,0]=4 618 B11R1.36 CC(=O)N(C1=CC=CC=C1)Cl N159271 [0,1,0,0,1,0|2,0,0]=4 619 B11R1.36 CC(C1=CC=CC=C1)C(=O)O B102422 [0,1,0,0,1,0|0,0,0]=2 620 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P102421 [0,1,0,0,1,0|0,0,0]=2 621 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P128106 [0,1,0,0,1,0|0,0,0]=2 622 B11R1.36 CC(C1=CC=CC=C1)C(=O)O P424260 [0,1,0,0,1,0|0,0,0]=2 623 B11R1.36 CN(C1=CC=CC=C1)C(=O)Cl N342076 [0,1,0,0,1,0|2,0,0]=4 624 B11R1.86 C1=CC=C(C(=C1)CC(=O)Cl)Cl C153892 [0,1,0,0,1,0|1,0,0]=3 625 B11R1.86 C1=CC=C(C(=C1)CC(=O)N)Cl C483633 [0,1,0,0,1,0|1,0,0]=3 626 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br B113791 [0,1,0,0,1,0|0,0,0]=2 627 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Cl C103598 [0,1,0,0,1,0|0,0,0]=2 628 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)F F107762 [0,1,0,0,1,0|0,0,0]=2 629 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I I103139 [0,1,0,0,1,0|0,0,0]=2 630 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)N A169654 [0,1,0,0,1,0|0,0,0]=2 631 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H102037 [0,1,0,0,1,0|0,0,0]=2 632 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H425093 [0,1,0,0,1,0|0,0,0]=2 633 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H501351 [0,1,0,0,1,0|0,0,0]=2 634 B11R1.86 C1=CC=C(C(=C1)NC(=O)N)Br B152705 [0,1,0,0,1,0|2,0,0]=4 635 B11R1.86 C1=CC=C(C(=C1)OC(=O)Cl)Cl C345491 [0,1,0,0,1,0|2,0,0]=4 636 B11R1.86 CC(=O)CC1=CC=CC=C1Br B132331 [0,1,0,0,1,0|1,0,0]=3 637 B11R1.86 CC(=O)CC1=CC=CC=C1F W135424 [0,1,0,0,1,0|1,0,0]=3 638 B11R1.86 CC(=O)NC1=CC=CC=C1Br B152714 [0,1,0,0,1,0|2,0,0]=4 639 B11R1.86 CC(=O)NC1=CC=CC=C1Cl C153728 [0,1,0,0,1,0|2,0,0]=4 640 B11R1.86 CC(=O)NC1=CC=CC=C1F F156682 [0,1,0,0,1,0|2,0,0]=4 641 B11R1.86 CC(=O)NC1=CC=CC=C1I I464440 [0,1,0,0,1,0|2,0,0]=4 642 B11R1.86 CC(=O)NC1=CC=CC=C1N A135471 [0,1,0,0,1,0|2,0,0]=4 643 B11R1.86 CC(=O)NC1=CC=CC=C1O A107221 [0,1,0,0,1,0|2,0,0]=4 644 B11R1.86 CC(=O)OC1=CC=CC=C1Cl C153423 [0,1,0,0,1,0|2,0,0]=4 645 B11R1.86 CC(=O)OC1=CC=CC=C1I I169597 [0,1,0,0,1,0|2,0,0]=4 646 B11R1.86 CC1=CC=CC=C1CC(=O)O T110067 [0,1,0,0,1,0|0,0,0]=2 647 B11R1.86 CC1=CC=CC=C1NC(=O)C O160015 [0,1,0,0,1,0|2,0,0]=4 648 B11R1.86 CC1=CC=CC=C1NC(=O)N O159960 [0,1,0,0,1,0|2,0,0]=4 649 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O B152293 [0,1,0,0,1,0|0,0,0]=2 650 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)N C194062 [0,1,0,0,1,0|1,0,0]=3 651 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O C106487 [0,1,0,0,1,0|0,0,0]=2 652 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)O F156749 [0,1,0,0,1,0|0,0,0]=2 653 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O I122872 [0,1,0,0,1,0|0,0,0]=2 654 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O A123133 [0,1,0,0,1,0|0,0,0]=2 655 B11R1.157 C1=CC(=CC(=C1)NC(=O)N)N N347561 [0,1,0,0,1,0|2,0,0]=4 656 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O A115482 [0,1,0,0,1,0|0,0,0]=2 657 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O H425145 [0,1,0,0,1,0|0,0,0]=2 658 B11R1.157 C1=CC(=CC(=C1)O)NC(=O)N H157251 [0,1,0,0,1,0|2,0,0]=4 659 B11R1.157 C1=CC(=NC(=C1)Br)CC(=O)O B586356 [0,1,0,0,1,0|1,0,0]=3 660 B11R1.157 C1=CN=C(C=C1CC(=O)O)Cl C469813 [0,1,0,0,1,0|1,0,0]=3 661 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl C154068 [0,1,0,0,1,0|1,0,0]=3 662 B11R1.157 CC(=O)CC1=CC(=CC=C1)F F191541 [0,1,0,0,1,0|1,0,0]=3 663 B11R1.157 CC(=O)NC1=CC(=CC=C1)Cl C153718 [0,1,0,0,1,0|2,0,0]=4 664 B11R1.157 CC(=O)NC1=CC(=CC=C1)F F133396 [0,1,0,0,1,0|2,0,0]=4 665 B11R1.157 CC(=O)NC1=CC(=CC=C1)O H157231 [0,1,0,0,1,0|2,0,0]=4 666 B11R1.157 CC(=O)NC1=CC=CC(=C1)N A151227 [0,1,0,0,1,0|2,0,0]=4 667 B11R1.157 CC(=O)OC1=CC(=CC=C1)Br B303510 [0,1,0,0,1,0|2,0,0]=4 668 B11R1.157 CC(=O)OC1=CC(=CC=C1)F F156589 [0,1,0,0,1,0|2,0,0]=4 669 B11R1.157 CC(=O)OC1=CC=CC(=C1)O R160926 [0,1,0,0,1,0|2,0,0]=4 670 B11R1.157 CC1=CC(=CC=C1)CC(=O)O M158763 [0,1,0,0,1,0|0,0,0]=2 671 B11R1.157 CC1=CC(=CC=C1)NC(=O)C M158141 [0,1,0,0,1,0|2,0,0]=4 672 B11R1.157 CC1=CC(=CC=C1)NC(=O)N M353832 [0,1,0,0,1,0|2,0,0]=4 673 B11R1.157 CC1=CC(=CC=C1)OC(=O)C M158126 [0,1,0,0,1,0|2,0,0]=4 674 B11R1.509 C1=CC(=CN=C1)CP(=O)(O)O P397965 [0,1,0,0,1,0|2,0,0]=4 675 B11R1.509 C1=CC=C(C=C1)CP(=O)(O)O B334162 [0,1,0,0,1,0|1,0,0]=3 676 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)Cl A132945 [0,1,0,0,1,0|1,0,1]=4 677 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F P105539 [0,1,0,0,1,0|1,0,1]=4 678 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F P301906 [0,1,0,0,1,0|1,0,1]=4 679 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)N B152070 [0,1,0,0,1,0|1,0,1]=4 680 B11R1.509 C1=CC=NC(=C1)CP(=O)(O)O P399533 [0,1,0,0,1,0|2,0,0]=4 681 B11R1.509 CC(C)(CC1=CC=CC=C1)O M113177 [0,1,0,0,1,0|1,0,1]=4 682 B11R1.509 CC(C)(CC1=CC=CC=C1)O M115321 [0,1,0,0,1,0|1,0,1]=4 683 B11R1.509 F[S](=O)(=O)CC1=CC=CC=C1 P408676 [0,1,0,0,1,0|1,0,1]=4 684 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N D346526 [0,1,0,0,1,0|2,0,0]=4 685 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H105705 [0,1,0,0,1,0|2,0,0]=4 686 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106210 [0,1,0,0,1,0|2,0,0]=4 687 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106211 [0,1,0,0,1,0|2,0,0]=4 688 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H106212 [0,1,0,0,1,0|2,0,0]=4 689 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108260 [0,1,0,0,1,0|2,0,0]=4 690 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108261 [0,1,0,0,1,0|2,0,0]=4 691 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H108262 [0,1,0,0,1,0|2,0,0]=4 692 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H111055 [0,1,0,0,1,0|2,0,0]=4 693 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H117212 [0,1,0,0,1,0|2,0,0]=4 694 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N H586116 [0,1,0,0,1,0|2,0,0]=4 695 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N L424948 [0,1,0,0,1,0|2,0,0]=4 696 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N L425627 [0,1,0,0,1,0|2,0,0]=4 697 B11R1.35 C1=C(NC=N1)CC(C(=O)O)N P341592 [0,1,0,0,1,0|2,0,0]=4 698 B11R1.35 C1=C(NC=N1)CC(C(=O)O)O L344779 [0,1,0,0,1,0|2,0,0]=4 699 B11R1.35 C1=COC(=C1)CC(C(=O)O)N H356423 [0,1,0,0,1,0|1,0,0]=3 700 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T135712 [0,1,0,0,1,0|1,0,0]=3 701 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N T464847 [0,1,0,0,1,0|1,0,0]=3 702 B11R1.35 C1=CSC=C1CC(C(=O)O)N B301218 [0,1,0,0,1,0|1,0,0]=3 703 B13R1.45 C1=CC(=CN=C1)C(=O)CCC(=O)O P354094 [0,1,0,0,0,1|1,0,0]=3 704 B13R1.45 C1=CC(=CN=C1)C(=O)NCC(=O)O N159838 [0,1,0,0,0,1|1,0,1]=4 705 B13R1.45 C1=CC=C(C=C1)C(=O)CCC(=O)O B152637 [0,1,0,0,0,1|0,0,0]=2 706 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H100064 [0,1,0,0,0,1|0,0,1]=3 707 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H100065 [0,1,0,0,0,1|0,0,1]=3 708 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H424276 [0,1,0,0,0,1|0,0,1]=3 709 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O M414408 [0,1,0,0,0,1|0,0,1]=3 710 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O M424823 [0,1,0,0,0,1|0,0,1]=3 711 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)[O-] B300718 [0,1,0,0,0,1|0,0,2]=4 712 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)[O-] S104429 [0,1,0,0,0,1|0,0,2]=4 713 B13R1.45 C1=CC=C(C=C1)C(=S)SCC(=O)O S101895 [0,1,0,0,0,1|0,0,1]=3 714 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 A138520 [0,1,0,0,0,1|1,0,1]=4 715 B13R1.149 C1=CC(=CC(=C1)F)NCCC(=O)O F294587 [0,1,0,0,0,1|0,0,0]=2 716 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N A115887 [0,1,0,0,0,1|0,0,0]=2 717 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N H181536 [0,1,0,0,0,1|0,0,0]=2 718 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N S167451 [0,1,0,0,0,1|0,0,0]=2 719 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O O159999 [0,1,0,0,0,1|0,0,0]=2 720 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H106213 [0,1,0,0,0,1|0,0,0]=2 721 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H117162 [0,1,0,0,0,1|0,0,0]=2 722 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H117213 [0,1,0,0,0,1|0,0,0]=2 723 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O R160938 [0,1,0,0,0,1|0,0,0]=2 724 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O S161363 [0,1,0,0,0,1|0,0,0]=2 725 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N S300786 [0,1,0,0,0,1|0,0,0]=2 726 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)Br B152642 [0,1,0,0,0,1|0,0,0]=2 727 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)I I169229 [0,1,0,0,0,1|0,0,0]=2 728 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N A124483 [0,1,0,0,0,1|0,0,0]=2 729 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)O H589940 [0,1,0,0,0,1|0,0,0]=2 730 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)Br B358329 [0,1,0,0,0,1|0,0,0]=2 731 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F F472278 [0,1,0,0,0,1|0,0,0]=2 732 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O P160223 [0,1,0,0,0,1|0,0,0]=2 733 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O M167127 [0,1,0,0,0,1|0,0,0]=2 734 B13R1.718 C1=CC=C(C=C1)COCC(CBr)O B151934 [0,1,0,0,0,1|1,0,1]=4 735 B13R1.718 C1=CC=C(C=C1)COCC(CO)O R139002 [0,1,0,0,0,1|0,0,2]=4 736 B13R1.718 C1=CC=C(C=C1)COCC(CO)O S138373 [0,1,0,0,0,1|0,0,2]=4 737 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 P303520 [0,1,0,0,0,1|1,0,0]=3 738 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 P160125 [0,1,0,0,0,1|1,0,0]=3 739 B13R1.718 [Na]OC(=O)CCCC1=CC=CC=C1 S408179 [0,1,0,0,0,1|0,0,0]=2 740 B13R1.3523 CC(C)(CNCC1=CC=CC=C1)O B590223 [0,1,0,0,0,1|1,0,1]=4 741 B13R1.3 C1=CC(=CC=C1C#N)NCC(=O)O N159198 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.3 C1=CC(=CC=C1C=CC(=O)O)C=O F488499 [0,2,0,0,0,0|0,0,2]=4 743 B13R1.3 C1=CC(=CC=C1C=O)OCC(=O)O F156781 [0,2,0,0,0,0|1,0,0]=3 744 B13R1.3 C1=CC(=CC=C1CO)OCC(=O)O H101428 [0,2,0,0,0,0|1,0,0]=3 745 B13R1.3 CC(=O)CCC1=CC=C(C=C1)OC M158241 [0,2,0,0,0,0|1,0,0]=3 746 B13R1.3 CC(=O)OCC1=CC=C(C=C1)OC A101234 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O M100603 [0,2,0,0,0,0|0,0,2]=4 748 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O M305019 [0,2,0,0,0,0|0,0,2]=4 749 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O M158081 [0,2,0,0,0,0|0,0,0]=2 750 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O M131818 [0,2,0,0,0,0|1,0,0]=3 751 B13R1.14 CC1=CC=C(C=C1)C=CC(=O)OC M302751 [0,2,0,0,0,0|0,0,2]=4 752 B13R1.14 COC(=O)C#CC1=CC=C(C=C1)Cl M404670 [0,2,0,0,0,0|0,0,2]=4 753 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br M589968 [0,2,0,0,0,0|0,0,2]=4 754 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl M102141 [0,2,0,0,0,0|0,0,2]=4 755 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)F M340706 [0,2,0,0,0,0|0,0,2]=4 756 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O M158470 [0,2,0,0,0,0|0,0,2]=4 757 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O M184263 [0,2,0,0,0,0|0,0,2]=4 758 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br M139243 [0,2,0,0,0,0|0,0,0]=2 759 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O M115480 [0,2,0,0,0,0|0,0,0]=2 760 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br A193198 [0,2,0,0,0,0|0,0,0]=2 761 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Br S588525 [0,2,0,0,0,0|0,0,0]=2 762 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl A151555 [0,2,0,0,0,0|0,0,0]=2 763 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)F A138673 [0,2,0,0,0,0|0,0,0]=2 764 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)O D304114 [0,2,0,0,0,0|0,0,0]=2 765 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br B151852 [0,2,0,0,0,0|1,0,1]=4 766 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F F156635 [0,2,0,0,0,0|1,0,1]=4 767 B13R1.132 CC1=CC=C(C=C1)C(CC(=O)O)N A151280 [0,2,0,0,0,0|0,0,0]=2 768 B13R1.133 C1=CC(=CC=C1CC(=O)C(=O)O)O H138306 [0,2,0,0,0,0|0,0,1]=3 769 B13R1.133 C1=CC(=CC=C1CC(C(=O)N)N)O L137615 [0,2,0,0,0,0|1,0,0]=3 770 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br B117017 [0,2,0,0,0,0|0,0,0]=2 771 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br P101626 [0,2,0,0,0,0|0,0,0]=2 772 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C100471 [0,2,0,0,0,0|0,0,0]=2 773 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C131971 [0,2,0,0,0,0|0,0,0]=2 774 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C136727 [0,2,0,0,0,0|0,0,0]=2 775 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153283 [0,2,0,0,0,0|0,0,0]=2 776 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl C153284 [0,2,0,0,0,0|0,0,0]=2 777 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117075 [0,2,0,0,0,0|0,0,0]=2 778 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F117076 [0,2,0,0,0,0|0,0,0]=2 779 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F F156775 [0,2,0,0,0,0|0,0,0]=2 780 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137496 [0,2,0,0,0,0|0,0,0]=2 781 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F I137619 [0,2,0,0,0,0|0,0,0]=2 782 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I109232 [0,2,0,0,0,0|0,0,0]=2 783 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I I136438 [0,2,0,0,0,0|0,0,0]=2 784 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A105992 [0,2,0,0,0,0|0,0,0]=2 785 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A151041 [0,2,0,0,0,0|0,0,0]=2 786 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N A185605 [0,2,0,0,0,0|0,0,0]=2 787 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O G419969 [0,2,0,0,0,0|0,0,0]=2 788 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O S433057 [0,2,0,0,0,0|0,0,0]=2 789 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T101403 [0,2,0,0,0,0|0,0,0]=2 790 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T103976 [0,2,0,0,0,0|0,0,0]=2 791 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T108322 [0,2,0,0,0,0|0,0,0]=2 792 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O T115962 [0,2,0,0,0,0|0,0,0]=2 793 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)O)O S160986 [0,2,0,0,0,0|0,0,0]=2 794 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L194654 [0,2,0,0,0,0|0,0,1]=3 795 B13R1.133 C1=CC(=CC=C1CC(C(=O)[O-])N)[O-] L302659 [0,2,0,0,0,0|0,0,1]=3 796 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [0,2,0,0,0,0|1,0,0]=3 797 B13R1.164 C1=CC(=C(C=C1Br)F)C=CC(=O)O B102180 [0,2,0,0,0,0|0,0,2]=4 798 B13R1.164 C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O D190038 [0,2,0,0,0,0|0,0,2]=4 799 B13R1.164 C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O T162127 [0,2,0,0,0,0|0,0,2]=4 800 B13R1.164 C1=CC(=C(C=C1Cl)Cl)CCC(=O)O D138991 [0,2,0,0,0,0|0,0,0]=2 801 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104415 [0,2,0,0,0,0|1,0,0]=3 802 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104416 [0,2,0,0,0,0|1,0,0]=3 803 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104421 [0,2,0,0,0,0|1,0,0]=3 804 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)O D104423 [0,2,0,0,0,0|1,0,0]=3 805 B13R1.164 C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-] D105021 [0,2,0,0,0,0|1,0,1]=4 806 B13R1.164 C1=CC(=C(C=C1Cl)F)C=CC(=O)O C153392 [0,2,0,0,0,0|0,0,2]=4 807 B13R1.164 C1=CC(=C(C=C1F)Br)C=CC(=O)O B183451 [0,2,0,0,0,0|0,0,2]=4 808 B13R1.164 C1=CC(=C(C=C1F)F)C=CC(=O)O T120761 [0,2,0,0,0,0|0,0,2]=4 809 B13R1.164 C1=CC(=C(C=C1F)F)CCC(=O)O D167043 [0,2,0,0,0,0|0,0,0]=2 810 B13R1.164 C1=CC(=C(C=C1O)O)C=CC(=O)O D139088 [0,2,0,0,0,0|0,0,2]=4 811 B13R1.164 C1=CC(=C(C=C1O)O)CCC(=O)O D171002 [0,2,0,0,0,0|0,0,0]=2 812 B13R1.164 C1=CC(=C(C=C1O)O)CCC(=O)O D424768 [0,2,0,0,0,0|0,0,0]=2 813 B13R1.164 C1=CN(C(=O)NC1=O)CCC(=O)O D169346 [0,2,0,0,0,0|2,0,0]=4 814 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O M109888 [0,2,0,0,0,0|1,0,0]=3 815 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)O M109889 [0,2,0,0,0,0|1,0,0]=3 816 B13R1.164 CC1=CC(=C(C=C1)C=CC(=O)O)C M167817 [0,2,0,0,0,0|0,0,2]=4 817 B13R1.164 CC1=CC(=C(C=C1)OCC(=O)O)C D166999 [0,2,0,0,0,0|1,0,0]=3 818 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Br)F B122839 [0,2,0,0,0,0|0,0,2]=4 819 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl D166409 [0,2,0,0,0,0|0,0,2]=4 820 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)F)F D120765 [0,2,0,0,0,0|0,0,2]=4 821 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108306 [0,2,0,0,0,0|0,0,2]=4 822 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108307 [0,2,0,0,0,0|0,0,2]=4 823 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C108308 [0,2,0,0,0,0|0,0,2]=4 824 B13R1.511 C1=CC(=C(C=C1C=CC(=O)O)O)O C423391 [0,2,0,0,0,0|0,0,2]=4 825 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)Cl)Cl D183153 [0,2,0,0,0,0|0,0,0]=2 826 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)F)F D167695 [0,2,0,0,0,0|0,0,0]=2 827 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D165817 [0,2,0,0,0,0|0,0,0]=2 828 B13R1.511 C1=CC(=C(C=C1CCC(=O)O)O)O D420537 [0,2,0,0,0,0|0,0,0]=2 829 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)C D132862 [0,2,0,0,0,0|0,0,0]=2 830 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 S117685 [0,2,0,0,0,0|2,0,0]=4 831 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M589660 [0,2,0,0,0,0|0,0,1]=3 832 B13R1.11 COC(=O)CC(C1=CC=CC=C1)N M343428 [0,2,0,0,0,0|0,0,0]=2 833 B13R1.15 COC(=O)C=CC1=CC(=CC=C1)Br M469691 [0,2,0,0,0,0|0,0,2]=4 834 B13R1.15 COC(=O)CCC1=CC(=CC=C1)Br M167459 [0,2,0,0,0,0|0,0,0]=2 835 B13R1.42 C1=CC=C(C=C1)CNC(=O)CC#N N353031 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.42 C1=CC=C(C=C1)CNC(=O)CCCl B136633 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.42 C1=CC=C(C=C1)COC(=O)CC#N B468749 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.42 C1=CC=C(C=C1)COC(=O)CCN B133773 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.42 C1=CC=C(C=C1)COC(=O)CCO B181520 [0,2,0,0,0,0|1,0,0]=3 840 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 V162950 [0,2,0,0,0,0|0,0,2]=4 841 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 B151844 [0,2,0,0,0,0|2,0,0]=4 842 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E156544 [0,2,0,0,0,0|0,0,2]=4 843 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103904 [0,2,0,0,0,0|0,0,2]=4 844 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103906 [0,2,0,0,0,0|0,0,2]=4 845 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E107514 [0,2,0,0,0,0|0,0,0]=2 846 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 N159323 [0,2,0,0,0,0|1,0,0]=3 847 B13R1.42 CCOC(=O)COC1=CC=CC=C1 E156512 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 E101825 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CBr B355324 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P100531 [0,2,0,0,0,0|0,0,0]=2 851 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N P109006 [0,2,0,0,0,0|0,0,0]=2 852 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M138182 [0,2,0,0,0,0|0,0,0]=2 853 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O M158823 [0,2,0,0,0,0|0,0,0]=2 854 B13R1.528 COC(=O)CCC1=CC=CC=C1Br M139153 [0,2,0,0,0,0|0,0,0]=2 855 B13R1.528 COC(=O)CCC1=CC=CC=C1F M587241 [0,2,0,0,0,0|0,0,0]=2 856 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117066 [0,2,0,0,0,0|0,0,0]=2 857 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N C117067 [0,2,0,0,0,0|0,0,0]=2 858 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N F132062 [0,2,0,0,0,0|0,0,0]=2 859 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N F179385 [0,2,0,0,0,0|0,0,0]=2 860 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N M138867 [0,2,0,0,0,0|0,0,0]=2 861 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N L136412 [0,2,0,0,0,0|0,0,0]=2 862 B13R1.148 C1=CC(=CC(=C1)O)CC(C(=O)O)N T117104 [0,2,0,0,0,0|0,0,0]=2 863 B13R1.148 CC(C(=O)O)OC1=CC(=CC=C1)Cl C114952 [0,2,0,0,0,0|1,0,0]=3 864 B13R1.148 CC(C(=O)O)OC1=CC(=CC=C1)Cl C118405 [0,2,0,0,0,0|1,0,0]=3 865 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N M101592 [0,2,0,0,0,0|0,0,0]=2 866 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N M132355 [0,2,0,0,0,0|0,0,0]=2 867 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)Br)Br D154624 [0,2,0,0,0,0|0,0,0]=2 868 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O D357309 [0,2,0,0,0,0|0,0,0]=2 869 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O L346317 [0,2,0,0,0,0|0,0,0]=2 870 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)N)O S168484 [0,2,0,0,0,0|0,0,0]=2 871 B13R1.152 C1=CC=C(C=C1)C(C(C(=O)O)O)N R302391 [0,2,0,0,0,0|0,0,0]=2 872 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 M194487 [0,2,0,0,0,0|1,0,1]=4 873 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br L184482 [0,2,0,0,0,0|0,0,0]=2 874 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl A190846 [0,2,0,0,0,0|0,0,0]=2 875 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl C105993 [0,2,0,0,0,0|0,0,0]=2 876 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl C117065 [0,2,0,0,0,0|0,0,0]=2 877 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F F115881 [0,2,0,0,0,0|0,0,0]=2 878 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F F135605 [0,2,0,0,0,0|0,0,0]=2 879 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O S161198 [0,2,0,0,0,0|0,0,0]=2 880 B13R1.202 CC(C(=O)O)OC1=CC=CC=C1Cl C153835 [0,2,0,0,0,0|1,0,0]=3 881 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N M101605 [0,2,0,0,0,0|0,0,0]=2 882 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D193980 [0,2,0,0,0,0|0,0,0]=2 883 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N M166002 [0,2,0,0,0,0|0,0,0]=2 884 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P107874 [0,2,0,0,0,0|0,0,0]=2 885 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N P118306 [0,2,0,0,0,0|0,0,0]=2 886 B13R1.147 C1=CC(=CC(=C1)Br)C(CC(=O)O)N A138068 [0,2,0,0,0,0|0,0,0]=2 887 B13R1.147 C1=CC(=CC(=C1)Br)C(CC(=O)O)N S183376 [0,2,0,0,0,0|0,0,0]=2 888 B13R1.147 C1=CC(=CC(=C1)Cl)C(CC(=O)O)N A185995 [0,2,0,0,0,0|0,0,0]=2 889 B13R1.147 C1=CC(=CC(=C1)F)C(CC(=O)O)N A179831 [0,2,0,0,0,0|0,0,0]=2 890 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 P170615 [0,2,0,0,0,0|2,0,0]=4 891 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN A179304 [0,2,0,0,0,0|0,0,0]=2 892 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN A183566 [0,2,0,0,0,0|0,0,0]=2 893 B13R1.90 COC1=CC=CC=C1C=CC(=O)O M100600 [0,2,0,0,0,0|0,0,2]=4 894 B13R1.90 COC1=CC=CC=C1C=CC(=O)O T162297 [0,2,0,0,0,0|0,0,2]=4 895 B13R1.90 COC1=CC=CC=C1CCC(=O)O W137316 [0,2,0,0,0,0|0,0,0]=2 896 B13R1.90 COC1=CC=CC=C1OCC(=O)N M300068 [0,2,0,0,0,0|2,0,0]=4 897 B13R1.90 COC1=CC=CC=C1OCC(=O)O M158255 [0,2,0,0,0,0|1,0,0]=3 898 B13R1.150 C1=CC(=C(C(=C1)Cl)Cl)OCC(=O)O D492122 [0,2,0,0,0,0|1,0,0]=3 899 B13R1.150 C1=CC(=C(C(=C1)O)O)CCC(=O)O D358040 [0,2,0,0,0,0|0,0,0]=2 900 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C D169333 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.893 C1=CC(=C(C=C1Br)C=CC(=O)O)F B168373 [0,2,0,0,0,0|0,0,2]=4 902 B13R1.893 C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl T162128 [0,2,0,0,0,0|0,0,2]=4 903 B13R1.893 C1=CC(=C(C=C1Cl)SCC(=O)O)Cl D154918 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.893 C1=CC(=C(C=C1F)C=CC(=O)O)F D120764 [0,2,0,0,0,0|0,0,2]=4 905 B13R1.893 CC1=CC(=C(C=C1)C)C=CC(=O)O D305033 [0,2,0,0,0,0|0,0,2]=4 906 B13R1.3787 C1=CC(=C(C(=C1)Cl)C=CC(=O)O)Cl D102140 [0,2,0,0,0,0|0,0,2]=4 907 B13R1.3787 C1=CC(=C(C(=C1)F)C=CC(=O)O)F T162738 [0,2,0,0,0,0|0,0,2]=4 908 B13R1.3787 CC1=C(C(=CC=C1)C)OCC(=O)C D404187 [0,2,0,0,0,0|2,0,0]=4 909 B13R1.3787 CC1=C(C(=CC=C1)C)OCC(=O)O D155294 [0,2,0,0,0,0|1,0,0]=3 910 B13R1.643 C1=CC(=CC(=C1)C#N)C=CC(=O)O C191400 [0,2,0,0,0,0|0,0,2]=4 911 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O M102144 [0,2,0,0,0,0|0,0,2]=4 912 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O M137968 [0,2,0,0,0,0|0,0,0]=2 913 B13R1.3420 C1=C(C=C(C=C1Cl)Cl)CCC(=O)O D469900 [0,2,0,0,0,0|0,0,0]=2 914 B13R1.3420 C1=C(C=C(C=C1F)F)C=CC(=O)O D122840 [0,2,0,0,0,0|0,0,2]=4 915 B13R1.3420 C1=C(C=C(C=C1F)F)C=CC(=O)O T120766 [0,2,0,0,0,0|0,0,2]=4 916 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C D170284 [0,2,0,0,0,0|0,0,0]=2 917 B11R1.172 C1=CNC=C1CCCC(=O)O P347698 [0,0,1,1,0,0|1,0,1]=4 918 B11R1.172 C1=CSC(=C1)CCCC(=O)O T472466 [0,0,1,1,0,0|1,0,1]=4 919 B11R2.1 B1(C2=CC=CC=C2CO1)O H340686 [1,0,0,1,0,0|2,0,0]=4 920 B11R2.1 C1=CC=C2C(=C1)C(=O)NN2 H134010 [1,0,0,1,0,0|2,0,0]=4 921 B11R2.1 C1=CC=C2C(=C1)C(=O)NO2 B138497 [1,0,0,1,0,0|2,0,0]=4 922 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B107479 [1,0,0,1,0,0|2,0,0]=4 923 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B406425 [1,0,0,1,0,0|2,0,0]=4 924 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 B598939 [1,0,0,1,0,0|2,0,0]=4 925 B11R2.1 C1C(=O)C2=CC=CC=C2O1 B119781 [1,0,0,1,0,0|1,0,0]=3 926 B11R2.1 C1C2=C(C=CC=N2)C(=O)N1 D589008 [1,0,0,1,0,0|2,0,0]=4 927 B11R2.1 C1C2=C(C=NC=C2)C(=O)N1 H176399 [1,0,0,1,0,0|2,0,0]=4 928 B11R2.1 C1C2=CC=CC=C2C(=O)N1 I170551 [1,0,0,1,0,0|1,0,0]=3 929 B11R2.1 C1C2=CC=CC=C2C(=O)O1 P104476 [1,0,0,1,0,0|1,0,0]=3 930 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,1,0,0|0,0,0]=2 931 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,1,0,0|0,0,0]=2 932 B11R2.1 C1CC2=C(C1O)C=CC=N2 D586296 [1,0,0,1,0,0|1,0,1]=4 933 B11R2.1 C1CC2=CC=CC=C2C1N A114505 [1,0,0,1,0,0|1,0,1]=4 934 B11R2.1 C1CC2=CC=CC=C2C1N D186125 [1,0,0,1,0,0|1,0,1]=4 935 B11R2.1 C1CC2=CC=CC=C2C1N S192732 [1,0,0,1,0,0|1,0,1]=4 936 B11R2.1 C1CC2=CC=CC=C2C1N S469445 [1,0,0,1,0,0|1,0,1]=4 937 B11R2.1 C1CC2=CC=CC=C2C1O H157335 [1,0,0,1,0,0|0,0,1]=3 938 B11R2.1 C1CC2=CC=CC=C2C1O H419517 [1,0,0,1,0,0|0,0,1]=3 939 B11R2.1 C1CC2=CC=CC=C2C1O H592262 [1,0,0,1,0,0|0,0,1]=3 940 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [1,0,0,1,0,0|1,0,1]=4 941 B11R2.4 C1C(C1N)C2=CC=CC=C2 R132818 [1,0,0,1,0,0|1,0,1]=4 942 B11R2.4 C1C(C1N)C2=CC=CC=C2 T275460 [1,0,0,1,0,0|1,0,1]=4 943 B11R2.4 C1C(C1N)C2=CC=CC=C2 T422413 [1,0,0,1,0,0|1,0,1]=4 944 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,1,0,0|1,0,1]=4 945 B11R2.20 C1CC2=C(C=CC=N2)OC1 D186135 [1,0,0,1,0,0|1,0,1]=4 946 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,1,0,0|1,0,0]=3 947 B11R2.20 C1CC2=CC=CC=C2NC1 T107484 [1,0,0,1,0,0|1,0,1]=4 948 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,1,0,0|1,0,1]=4 949 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,1,0,0|1,0,1]=4 950 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,1,0,0|1,0,1]=4 951 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,1,0,0|1,0,1]=4 952 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,1,0,0|1,0,1]=4 953 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,1,0,0|2,0,0]=4 954 B11R2.20 C1CNCC2=CC=CC=C21 T139420 [1,0,0,1,0,0|2,0,0]=4 955 B11R2.20 C1COC2=CC=CC=C2N1 H304033 [1,0,0,1,0,0|1,0,1]=4 956 B11R2.20 C1COC2=CC=CC=C2O1 B103171 [1,0,0,1,0,0|1,0,1]=4 957 B11R2.20 C1COCC2=CC=CC=C21 I122961 [1,0,0,1,0,0|2,0,0]=4 958 B11R2.238 C1C(N1)CC2=CC=CC=C2 S304496 [1,0,0,1,0,0|1,0,1]=4 959 B11R2.238 C1C(O1)CC2=CC=CC=C2 E472459 [1,0,0,1,0,0|0,0,1]=3 960 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 D185536 [0,0,0,1,1,0|2,0,0]=4 961 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br B589404 [0,0,0,1,1,0|1,0,1]=4 962 B11R2.10 C1=CC=C2C(=C1)N=C(O2)Cl C153565 [0,0,0,1,1,0|2,0,0]=4 963 B11R2.10 C1=CC=C2C(=C1)N=C(O2)N B137603 [0,0,0,1,1,0|2,0,0]=4 964 B11R2.10 C1=CC=C2C(=C1)NC(=O)N2 H135655 [0,0,0,1,1,0|2,0,0]=4 965 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 B111321 [0,0,0,1,1,0|1,0,0]=3 966 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 H157277 [0,0,0,1,1,0|1,1,0]=4 967 B11R2.10 C1=CC=C2C(=C1)NC(=S)O2 M111103 [0,0,0,1,1,0|1,1,0]=4 968 B11R2.10 C1C(=O)CC2=CC=CC=C21 I111208 [0,0,0,1,1,0|1,0,0]=3 969 B11R2.10 C1C(CC2=CC=CC=C21)O H157338 [0,0,0,1,1,0|1,0,1]=4 970 B11R2.10 C1C2=C(NC1=O)N=CC=C2 H176810 [0,0,0,1,1,0|2,0,0]=4 971 B11R2.10 C1C2=CC=CC=C2C=C1Br B124235 [0,0,0,1,1,0|2,0,0]=4 972 B11R2.10 C1C2=CC=CC=C2NC1=O O100775 [0,0,0,1,1,0|1,0,0]=3 973 B11R2.10 C1C2=CC=CC=C2OC1=O C103572 [0,0,0,1,1,0|0,0,0]=2 974 B11R2.10 C1C2=CC=CC=C2SC1=O B353634 [0,0,0,1,1,0|0,1,0]=3 975 B11R2.10 CC1=CC2=CC=CC=C2O1 M135139 [0,0,0,1,1,0|1,0,1]=4 976 B11R2.10 CC1=NC2=CC=CC=C2O1 M158477 [0,0,0,1,1,0|2,0,0]=4 977 B11R2.10 CC1CC2=CC=CC=C2O1 D137493 [0,0,0,1,1,0|1,0,1]=4 978 B13R2.10 C1=CC=C(C=C1)C2=NOC(=O)O2 P587893 [0,0,0,1,0,1|1,0,1]=4 979 B13R2.10 C1C(=O)OC(=N1)C2=CC=CC=C2 P124644 [0,0,0,1,0,1|0,0,1]=3 980 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [0,0,0,1,0,1|1,0,0]=3 981 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P107587 [0,0,0,1,0,1|1,0,0]=3 982 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P111345 [0,0,0,1,0,1|1,0,0]=3 983 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 R131929 [0,0,0,1,0,1|1,1,0]=4 984 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 S161095 [0,0,0,1,0,1|1,1,0]=4 985 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113217 [0,0,0,1,0,1|1,0,0]=3 986 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113218 [0,0,0,1,0,1|1,0,0]=3 987 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P426941 [0,0,0,1,0,1|1,0,0]=3 988 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B117532 [0,0,0,1,0,1|1,0,1]=4 989 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B140514 [0,0,0,1,0,1|1,0,1]=4 990 B13R2.31 C1C(CN1CC2=CC=CC=C2)O B185153 [0,0,0,1,0,1|1,0,1]=4 991 B13R2.72 C1=CC2=C(ON=C2C=C1)C(=O)O B479298 [0,0,0,1,0,1|1,0,1]=4 992 B13R2.72 C1=CC=C2C(=C1)C(=CN2)C(=O)O I107990 [0,0,0,1,0,1|0,0,2]=4 993 B13R2.72 C1=CC=C2C(=C1)C(=CN2)C(=O)O I425900 [0,0,0,1,0,1|0,0,2]=4 994 B13R2.72 C1=CC=C2C(=C1)C(=CO2)C(=O)O C355786 [0,0,0,1,0,1|0,0,2]=4 995 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)O B123049 [0,0,0,1,0,1|0,0,2]=4 996 B13R2.72 C1=CC=C2C(=C1)C(=NN2)C(=O)O I157584 [0,0,0,1,0,1|1,0,1]=4 997 B13R2.72 C1CC2=CC=CC=C2C1C(=O)O I190925 [0,0,0,1,0,1|0,0,0]=2 998 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 A121612 [0,0,0,1,0,1|1,0,0]=3 999 B13R2.163 C1CC2=CC=CC=C2NC(=O)C1 D589134 [0,0,0,1,0,1|1,0,0]=3 1000 B13R2.423 C1C(C1C(=O)O)C2=CC=CC=C2 T139465 [0,0,0,1,0,1|0,0,0]=2 1001 B13R2.423 C1C(C1C(=O)O)C2=CC=NC=C2 T304681 [0,0,0,1,0,1|1,0,0]=3 1002 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 B119627 [0,0,0,1,0,1|1,0,1]=4 1003 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 B119630 [0,0,0,1,0,1|1,0,1]=4 1004 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 P136148 [0,0,0,1,0,1|1,0,1]=4 1005 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109351 [0,1,0,1,0,0|0,0,2]=4 1006 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H109352 [0,1,0,1,0,0|0,0,2]=4 1007 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O H426983 [0,1,0,1,0,0|0,0,2]=4 1008 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Br B119100 [0,1,0,1,0,0|2,0,0]=4 1009 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl C186487 [0,1,0,1,0,0|2,0,0]=4 1010 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)N A187938 [0,1,0,1,0,0|2,0,0]=4 1011 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)Br B181550 [0,1,0,1,0,0|1,0,0]=3 1012 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)N A483794 [0,1,0,1,0,0|1,0,0]=3 1013 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O H108011 [0,1,0,1,0,0|1,0,0]=3 1014 B13R2.155 C1CC2=C(CC1=O)C=C(C=C2)F F338110 [0,1,0,1,0,0|1,0,0]=3 1015 B13R2.155 CC1=CC2=C(C=C1)C=CC(=O)O2 M158663 [0,1,0,1,0,0|0,0,2]=4 1016 B13R2.32 C1CC2=CC=CC=C2C(=O)C1Br B405325 [0,1,0,1,0,0|1,0,1]=4 1017 B13R2.32 CC1CCC2=CC=CC=C2C1=O M167630 [0,1,0,1,0,0|1,0,1]=4 1018 B13R2.32 CN1C(=O)COC2=CC=CC=C21 M168648 [0,1,0,1,0,0|2,0,0]=4 1019 B13R2.373 C1=CC=C(C=C1)C2C(C(=O)N2)O R302386 [0,1,0,1,0,0|1,0,0]=3 1020 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)N A151702 [0,1,0,1,0,0|0,0,2]=4 1021 B13R2.369 C1=CC=C2C(=C1)C=C(C(=O)O2)O H305006 [0,1,0,1,0,0|0,0,2]=4 1022 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O I107987 [0,1,0,1,0,0|0,0,2]=4 1023 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O B170589 [0,1,0,1,0,0|0,0,2]=4 1024 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)O B152934 [0,1,0,1,0,0|0,0,2]=4 1025 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O H134909 [0,1,0,1,0,0|1,0,1]=4 1026 B13R2.435 C1C(CC2=CC=CC=C21)C(=O)O I135596 [0,1,0,1,0,0|0,0,0]=2 1027 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I103166 [0,1,0,1,0,0|0,0,0]=2 1028 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I115487 [0,1,0,1,0,0|0,0,0]=2 1029 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O I119118 [0,1,0,1,0,0|0,0,0]=2 1030 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 I588783 [0,1,0,1,0,0|1,0,0]=3 1031 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)O2)O H107607 [0,1,0,1,0,0|0,0,2]=4 1032 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=O)O2 B123043 [0,1,0,1,0,0|1,0,1]=4 1033 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 M404694 [0,1,0,1,0,0|0,0,2]=4 1034 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 M194507 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O H183551 [0,1,0,1,0,0|1,0,0]=3 1036 B13R2.162 CC1=CC=CN2C1=NC(=O)CC2 M158367 [0,1,0,1,0,0|2,0,0]=4 1037 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1Br B182400 [0,1,0,1,0,0|0,0,2]=4 1038 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1N A481745 [0,1,0,1,0,0|0,0,2]=4 1039 B13R2.3683 C1=CC2=C(C=CC(=O)O2)C=C1O H156920 [0,1,0,1,0,0|0,0,2]=4 1040 B13R2.3683 C1C(=O)NC2=C(O1)C=C(C=C2)Br B183669 [0,1,0,1,0,0|2,0,0]=4 1041 B13R2.3683 C1C(=O)NC2=C(O1)C=C(C=C2)F F337070 [0,1,0,1,0,0|2,0,0]=4 1042 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Br B176141 [0,1,0,1,0,0|1,0,0]=3 1043 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)Cl C182436 [0,1,0,1,0,0|1,0,0]=3 1044 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)N A182929 [0,1,0,1,0,0|1,0,0]=3 1045 B13R2.3683 C1CC(=O)NC2=C1C=C(C=C2)O D155349 [0,1,0,1,0,0|1,0,0]=3 1046 B13R2.3683 C1CC(=O)NC2=C1C=C(C=N2)Br B181051 [0,1,0,1,0,0|2,0,0]=4 1047 B13R2.3683 C1CC(=O)OC2=C1C=C(C=C2)Br B302764 [0,1,0,1,0,0|0,0,0]=2 1048 B13R2.3683 C1CC(=O)OC2=C1C=C(C=C2)I I586909 [0,1,0,1,0,0|0,0,0]=2 1049 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)Br B113210 [0,1,0,1,0,0|1,0,0]=3 1050 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 M169411 [0,1,0,1,0,0|2,0,0]=4 1051 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 M102159 [0,1,0,1,0,0|0,0,2]=4 1052 B9R1.12 C1=CN(C=C1)CCCO H157253 [1,0,0,0,1,0|1,0,1]=4 1053 B9R1.12 C1=COC(=C1)CSC=O S161330 [1,0,0,0,1,0|2,0,0]=4 1054 B9R1.6 B(C1=CC=CC=C1)(O)O P107045 [0,0,0,0,2,0|1,0,1]=4 1055 B9R1.6 B(C1=CC=CC=C1)(O)O P168612 [0,0,0,0,2,0|1,0,1]=4 1056 B9R1.6 B(C1=CC=CC=C1)(O)O P396095 [0,0,0,0,2,0|1,0,1]=4 1057 B9R1.6 C1=C(C=NC=N1)C(=O)O P344409 [0,0,0,0,2,0|2,0,0]=4 1058 B9R1.6 C1=CC(=CN=C1)C(=O)Cl N107157 [0,0,0,0,2,0|2,0,0]=4 1059 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396895 [0,0,0,0,2,0|2,0,0]=4 1060 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396901 [0,0,0,0,2,0|2,0,0]=4 1061 B9R1.6 C1=CC(=CN=C1)C(=O)N N105042 [0,0,0,0,2,0|2,0,0]=4 1062 B9R1.6 C1=CC(=CN=C1)C(=O)N N105043 [0,0,0,0,2,0|2,0,0]=4 1063 B9R1.6 C1=CC(=CN=C1)C(=O)N N108086 [0,0,0,0,2,0|2,0,0]=4 1064 B9R1.6 C1=CC(=CN=C1)C(=O)N N108087 [0,0,0,0,2,0|2,0,0]=4 1065 B9R1.6 C1=CC(=CN=C1)C(=O)N N434628 [0,0,0,0,2,0|2,0,0]=4 1066 B9R1.6 C1=CC(=CN=C1)C(=O)O N103652 [0,0,0,0,2,0|1,0,0]=3 1067 B9R1.6 C1=CC(=CN=C1)C(=O)O N103654 [0,0,0,0,2,0|1,0,0]=3 1068 B9R1.6 C1=CC(=CN=C1)C(=O)O N118655 [0,0,0,0,2,0|1,0,0]=3 1069 B9R1.6 C1=CC(=CN=C1)C(=O)O N118656 [0,0,0,0,2,0|1,0,0]=3 1070 B9R1.6 C1=CC(=CN=C1)C(=O)O N433033 [0,0,0,0,2,0|1,0,0]=3 1071 B9R1.6 C1=CC(=CN=C1)C(=O)[O-] S161385 [0,0,0,0,2,0|1,0,1]=4 1072 B9R1.6 C1=CC(=NN=C1)C(=O)O P168630 [0,0,0,0,2,0|2,0,0]=4 1073 B9R1.6 C1=CC=C(C=C1)C(=N)N B100938 [0,0,0,0,2,0|2,0,0]=4 1074 B9R1.6 C1=CC=C(C=C1)C(=N)N B100967 [0,0,0,0,2,0|2,0,0]=4 1075 B9R1.6 C1=CC=C(C=C1)C(=N)N B349126 [0,0,0,0,2,0|2,0,0]=4 1076 B9R1.6 C1=CC=C(C=C1)C(=N)N B422069 [0,0,0,0,2,0|2,0,0]=4 1077 B9R1.6 C1=CC=C(C=C1)C(=O)Br B152056 [0,0,0,0,2,0|1,0,0]=3 1078 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104565 [0,0,0,0,2,0|1,0,0]=3 1079 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104566 [0,0,0,0,2,0|1,0,0]=3 1080 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B305868 [0,0,0,0,2,0|1,0,0]=3 1081 B9R1.6 C1=CC=C(C=C1)C(=O)F B152051 [0,0,0,0,2,0|1,0,0]=3 1082 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [0,0,0,0,2,0|1,0,0]=3 1083 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [0,0,0,0,2,0|1,0,0]=3 1084 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [0,0,0,0,2,0|1,0,0]=3 1085 B9R1.6 C1=CC=C(C=C1)C(=O)O B116254 [0,0,0,0,2,0|0,0,0]=2 1086 B9R1.6 C1=CC=C(C=C1)C(=O)O B116255 [0,0,0,0,2,0|0,0,0]=2 1087 B9R1.6 C1=CC=C(C=C1)C(=O)O B116256 [0,0,0,0,2,0|0,0,0]=2 1088 B9R1.6 C1=CC=C(C=C1)C(=O)O B116259 [0,0,0,0,2,0|0,0,0]=2 1089 B9R1.6 C1=CC=C(C=C1)C(=O)O B116260 [0,0,0,0,2,0|0,0,0]=2 1090 B9R1.6 C1=CC=C(C=C1)C(=O)O B116262 [0,0,0,0,2,0|0,0,0]=2 1091 B9R1.6 C1=CC=C(C=C1)C(=O)O B117657 [0,0,0,0,2,0|0,0,0]=2 1092 B9R1.6 C1=CC=C(C=C1)C(=O)O B119541 [0,0,0,0,2,0|0,0,0]=2 1093 B9R1.6 C1=CC=C(C=C1)C(=O)O B291747 [0,0,0,0,2,0|0,0,0]=2 1094 B9R1.6 C1=CC=C(C=C1)C(=O)O B302170 [0,0,0,0,2,0|0,0,0]=2 1095 B9R1.6 C1=CC=C(C=C1)C(=O)O B425323 [0,0,0,0,2,0|0,0,0]=2 1096 B9R1.6 C1=CC=C(C=C1)C(=O)O B433248 [0,0,0,0,2,0|0,0,0]=2 1097 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [0,0,0,0,2,0|0,1,0]=3 1098 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112559 [0,0,0,0,2,0|0,0,1]=3 1099 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112561 [0,0,0,0,2,0|0,0,1]=3 1100 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C347199 [0,0,0,0,2,0|0,0,1]=3 1101 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C349185 [0,0,0,0,2,0|0,0,1]=3 1102 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] L102020 [0,0,0,0,2,0|0,0,1]=3 1103 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] P104052 [0,0,0,0,2,0|0,0,1]=3 1104 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104124 [0,0,0,0,2,0|0,0,1]=3 1105 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104125 [0,0,0,0,2,0|0,0,1]=3 1106 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104127 [0,0,0,0,2,0|0,0,1]=3 1107 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104128 [0,0,0,0,2,0|0,0,1]=3 1108 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S124683 [0,0,0,0,2,0|0,0,1]=3 1109 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S424558 [0,0,0,0,2,0|0,0,1]=3 1110 B9R1.6 C1=CC=C(C=C1)C(=S)N T111125 [0,0,0,0,2,0|1,1,0]=4 1111 B9R1.6 C1=CC=C(C=C1)S(=O)O B589671 [0,0,0,0,2,0|1,0,0]=3 1112 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] B111697 [0,0,0,0,2,0|1,0,1]=4 1113 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] S131677 [0,0,0,0,2,0|1,0,1]=4 1114 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116216 [0,0,0,0,2,0|1,0,1]=4 1115 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116217 [0,0,0,0,2,0|1,0,1]=4 1116 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116219 [0,0,0,0,2,0|1,0,1]=4 1117 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116220 [0,0,0,0,2,0|1,0,1]=4 1118 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116222 [0,0,0,0,2,0|1,0,1]=4 1119 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N123719 [0,0,0,0,2,0|1,0,1]=4 1120 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N346210 [0,0,0,0,2,0|1,0,1]=4 1121 B9R1.6 C1=CC=C(C=C1)[P+](=O)O P160701 [0,0,0,0,2,0|1,0,0]=3 1122 B9R1.6 C1=CC=C(C=C1)[Se](=O)O B152925 [0,0,0,0,2,0|1,0,0]=3 1123 B9R1.6 C1=CC=NC(=C1)C(=O)Cl P133422 [0,0,0,0,2,0|2,0,0]=4 1124 B9R1.6 C1=CC=NC(=C1)C(=O)N P138238 [0,0,0,0,2,0|2,0,0]=4 1125 B9R1.6 C1=CC=NC(=C1)C(=O)O D118689 [0,0,0,0,2,0|1,0,0]=3 1126 B9R1.6 C1=CC=NC(=C1)C(=O)O P101920 [0,0,0,0,2,0|1,0,0]=3 1127 B9R1.6 C1=CC=NC(=C1)C(=O)O P160049 [0,0,0,0,2,0|1,0,0]=3 1128 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C101910 [0,0,0,0,2,0|1,0,1]=4 1129 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C421694 [0,0,0,0,2,0|1,0,1]=4 1130 B9R1.6 C1=CN=C(C=N1)C(=O)O P106883 [0,0,0,0,2,0|2,0,0]=4 1131 B9R1.6 C1=CN=C(N=C1)C(=O)O P120474 [0,0,0,0,2,0|2,0,0]=4 1132 B9R1.6 C1=CN=CC=C1C(=O)Cl I107934 [0,0,0,0,2,0|2,0,0]=4 1133 B9R1.6 C1=CN=CC=C1C(=O)N I106833 [0,0,0,0,2,0|2,0,0]=4 1134 B9R1.6 C1=CN=CC=C1C(=O)O I101094 [0,0,0,0,2,0|1,0,0]=3 1135 B9R1.6 C1=CN=CC=C1C(=O)O I424705 [0,0,0,0,2,0|1,0,0]=3 1136 B9R1.6 C1=CN=CC=C1C(=O)[O-] S161415 [0,0,0,0,2,0|1,0,1]=4 1137 B9R1.6 C1=CN=CN=C1C(=O)O P133791 [0,0,0,0,2,0|2,0,0]=4 1138 B9R1.6 C1=CN=NC=C1C(=O)O P133462 [0,0,0,0,2,0|2,0,0]=4 1139 B9R1.6 C=C(C1=CC=CC=C1)Br A189239 [0,0,0,0,2,0|2,0,0]=4 1140 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [0,0,0,0,2,0|2,0,0]=4 1141 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [0,0,0,0,2,0|2,0,0]=4 1142 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [0,0,0,0,2,0|2,0,0]=4 1143 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [0,0,0,0,2,0|2,0,0]=4 1144 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [0,0,0,0,2,0|1,0,0]=3 1145 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [0,0,0,0,2,0|1,0,0]=3 1146 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [0,0,0,0,2,0|1,0,0]=3 1147 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [0,0,0,0,2,0|1,0,0]=3 1148 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [0,0,0,0,2,0|1,0,0]=3 1149 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [0,0,0,0,2,0|1,0,0]=3 1150 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [0,0,0,0,2,0|1,0,0]=3 1151 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [0,0,0,0,2,0|2,0,0]=4 1152 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [0,0,0,0,2,0|2,0,0]=4 1153 B9R1.6 CC(=O)C1=CC=NC=C1 A102942 [0,0,0,0,2,0|2,0,0]=4 1154 B9R1.6 CC(=O)C1=CN=CC=C1 A106235 [0,0,0,0,2,0|2,0,0]=4 1155 B9R1.6 CC(=O)C1=CN=CC=C1 A106236 [0,0,0,0,2,0|2,0,0]=4 1156 B9R1.6 CC(C1=CC=CC=C1)O P100878 [0,0,0,0,2,0|1,0,1]=4 1157 B9R1.6 CC(C1=CC=CC=C1)O P103660 [0,0,0,0,2,0|1,0,1]=4 1158 B9R1.6 CC(C1=CC=CC=C1)O P113820 [0,0,0,0,2,0|1,0,1]=4 1159 B9R1.6 CC(C1=CC=CC=C1)O P165285 [0,0,0,0,2,0|1,0,1]=4 1160 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [0,0,0,0,2,0|2,0,0]=4 1161 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [0,0,0,0,2,0|2,0,0]=4 1162 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [0,0,0,0,2,0|1,1,0]=4 1163 B9R1.6 NC(=O)C1=CC=CN=C1 N407906 [0,0,0,0,2,0|2,0,0]=4 1164 B9R1.6 OC(=O)C1=CC=CN=C1 N407808 [0,0,0,0,2,0|1,0,0]=3 1165 B9R1.13 C1=C(NC=N1)CC(=O)O H589780 [0,0,0,0,2,0|2,0,0]=4 1166 B9R1.13 C1=C(NC=N1)CC(=O)O I134619 [0,0,0,0,2,0|2,0,0]=4 1167 B9R1.13 C1=CN(C=N1)CC(=O)O I134366 [0,0,0,0,2,0|2,0,0]=4 1168 B9R1.13 C1=CN(N=C1)CC(=O)O H293813 [0,0,0,0,2,0|2,0,0]=4 1169 B9R1.13 C1=CN(N=C1)CC(=O)O H332530 [0,0,0,0,2,0|2,0,0]=4 1170 B9R1.13 C1=CSC(=C1)CC(=O)Cl T107389 [0,0,0,0,2,0|2,0,0]=4 1171 B9R1.13 C1=CSC(=C1)CC(=O)N T338182 [0,0,0,0,2,0|2,0,0]=4 1172 B9R1.13 C1=CSC(=C1)CC(=O)O T113850 [0,0,0,0,2,0|1,0,0]=3 1173 B9R1.13 C1=CSC=C1CC(=O)O T162811 [0,0,0,0,2,0|1,0,0]=3 1174 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O E404888 [0,0,0,0,0,2|0,0,2]=4 1175 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O P189036 [0,0,0,0,0,2|0,0,2]=4 1176 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O P160206 [0,0,0,0,0,2|0,0,0]=2 1177 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O P422720 [0,0,0,0,0,2|0,0,0]=2 1178 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N P304341 [0,0,0,0,0,2|1,0,0]=3 1179 B13R1.337 C1=CC=C(C=C1)COCCC(=O)O B340507 [0,0,0,0,0,2|0,0,0]=2 1180 B13R1.337 C1=CC=C(C=C1)OCCCC(=O)O P114446 [0,0,0,0,0,2|0,0,0]=2 1181 B13R1.337 C1=CC=NC(=C1)SSCCC(=O)O P304388 [0,0,0,0,0,2|1,0,0]=3 1182 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 B464409 [0,0,0,0,0,2|1,0,0]=3 1183 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 C111357 [0,0,0,0,0,2|1,0,1]=4 1184 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 C420427 [0,0,0,0,0,2|1,0,1]=4 1185 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 E588097 [0,0,0,0,0,2|1,0,1]=4 1186 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P135656 [0,0,0,0,0,2|1,0,0]=3 1187 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P140972 [0,0,0,0,0,2|1,0,0]=3