0 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [0,0,0,0,0,0|0,0,1]=1 4 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.252 CC(COCC1=CC=CC=C1)O B123078 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.252 CC(COCC1=CC=CC=C1)O B123080 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.28 C#CCOCC1=CC=CC=C1 P589024 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [1,0,0,0,0,0|0,0,1]=2 22 B11R1.28 C1=CC=C(C=C1)CCN=C=O P160767 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.28 C1=CC=C(C=C1)CCN=C=S P102544 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.28 C1=CC=C(C=C1)NCCC#N A151772 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.28 C1=CN=CC=C1CCCCO P193755 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.28 C=CCNCC1=CC=CC=C1 N158987 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.28 OCCSCc1ccccc1 H109405 [1,0,0,0,0,0|1,0,1]=3 51 B13R1.45 C1=CC(=CN=C1)C(=O)CCC(=O)O P354094 [0,1,0,0,0,0|1,0,1]=3 52 B13R1.45 C1=CC(=CN=C1)C(=O)NCC(=O)O N159838 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.45 C1=CC=C(C=C1)C(=O)CCC(=O)O B152637 [0,1,0,0,0,0|0,0,1]=2 54 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H100064 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H100065 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O H424276 [0,1,0,0,0,0|1,0,1]=3 57 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O M414408 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O M424823 [0,1,0,0,0,0|1,0,1]=3 59 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)[O-] B300718 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)[O-] S104429 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.45 C1=CC=C(C=C1)C(=S)SCC(=O)O S101895 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 A138520 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.149 C1=CC(=CC(=C1)F)NCCC(=O)O F294587 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N A115887 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N H181536 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.348 C1=CC=C(C=C1)CC(CC(=O)O)N S167451 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.348 CC(C)CC(CC1=CC=CC=C1)O M158741 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O O159999 [0,1,0,0,0,0|0,0,1]=2 69 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H106213 [0,1,0,0,0,0|0,0,0]=1 70 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H117162 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N H117213 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O R160938 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O S161363 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N S300786 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)Br B152642 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)I I169229 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N A124483 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)O H589940 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)Br B358329 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.513 C1=CC(=CC=C1OCCC(=O)O)F F472278 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O P160223 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O M167127 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.718 C1=CC=C(C=C1)COCC(CBr)O B151934 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.718 C1=CC=C(C=C1)COCC(CO)O R139002 [0,1,0,0,0,0|1,0,2]=4 85 B13R1.718 C1=CC=C(C=C1)COCC(CO)O S138373 [0,1,0,0,0,0|1,0,2]=4 86 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 P303520 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 P160125 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.718 [Na]OC(=O)CCCC1=CC=CC=C1 S408179 [0,1,0,0,0,0|0,0,0]=1 89 B13R1.3523 C1=CC=C(C=C1)CCC[Si](Cl)(Cl)Cl T162728 [0,1,0,0,0,0|2,1,0]=4 90 B13R1.3523 C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-] P121965 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.3523 CC(C)(CNCC1=CC=CC=C1)O B590223 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.3523 C[Si](C)(CCCC1=CC=CC=C1)Cl C153515 [0,1,0,0,0,0|2,1,0]=4 93 B13R2.10 C1=CC=C(C=C1)C2=NOC(=O)O2 P587893 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.10 C1C(=O)OC(=N1)C2=CC=CC=C2 P124644 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P107587 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P111345 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 R131929 [0,0,0,1,0,0|2,1,0]=4 99 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 S161095 [0,0,0,1,0,0|2,1,0]=4 100 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113217 [0,0,0,1,0,0|2,0,0]=3 101 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P113218 [0,0,0,1,0,0|2,0,0]=3 102 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 P426941 [0,0,0,1,0,0|2,0,0]=3 103 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B117532 [0,0,0,1,0,0|2,0,1]=4 104 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B140514 [0,0,0,1,0,0|2,0,1]=4 105 B13R2.31 C1C(CN1CC2=CC=CC=C2)O B185153 [0,0,0,1,0,0|2,0,1]=4 106 B13R2.72 C1=CC2=C(ON=C2C=C1)C(=O)O B479298 [0,0,0,1,0,0|2,0,1]=4 107 B13R2.72 C1=CC=C2C(=C1)C(=CN2)C(=O)O I107990 [0,0,0,1,0,0|1,0,2]=4 108 B13R2.72 C1=CC=C2C(=C1)C(=CN2)C(=O)O I425900 [0,0,0,1,0,0|1,0,2]=4 109 B13R2.72 C1=CC=C2C(=C1)C(=CO2)C(=O)O C355786 [0,0,0,1,0,0|1,0,2]=4 110 B13R2.72 C1=CC=C2C(=C1)C(=CS2)C(=O)O B123049 [0,0,0,1,0,0|1,0,2]=4 111 B13R2.72 C1=CC=C2C(=C1)C(=NN2)C(=O)O I157584 [0,0,0,1,0,0|2,0,1]=4 112 B13R2.72 C1CC2=CC=CC=C2C1C(=O)O I190925 [0,0,0,1,0,0|0,0,0]=1 113 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 A121612 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.163 C1CC2=CC=CC=C2NC(=O)C1 D589134 [0,0,0,1,0,0|1,0,0]=2 115 B13R2.423 C1C(C1C(=O)O)C2=CC=CC=C2 T139465 [0,0,0,1,0,0|0,0,0]=1 116 B13R2.423 C1C(C1C(=O)O)C2=CC=NC=C2 T304681 [0,0,0,1,0,0|1,0,0]=2 117 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 B119627 [0,0,0,1,0,0|2,0,1]=4 118 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 B119630 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 P136148 [0,0,0,1,0,0|2,0,1]=4 120 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [0,0,0,0,1,0|1,0,1]=3 121 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O P160635 [0,0,0,0,1,0|1,0,2]=4 122 B11R1.91 C1=CC(=CN=C1)C=CC(=O)O T138424 [0,0,0,0,1,0|1,0,2]=4 123 B11R1.91 C1=CC(=CN=C1)CCC(=O)O P136290 [0,0,0,0,1,0|1,0,0]=2 124 B11R1.91 C1=CC=C(C=C1)C#CC(=O)N P589991 [0,0,0,0,1,0|1,0,2]=4 125 B11R1.91 C1=CC=C(C=C1)C#CC(=O)O P133964 [0,0,0,0,1,0|0,0,2]=3 126 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl C106841 [0,0,0,0,1,0|1,0,2]=4 127 B11R1.91 C1=CC=C(C=C1)C=CC(=O)Cl T347639 [0,0,0,0,1,0|1,0,2]=4 128 B11R1.91 C1=CC=C(C=C1)C=CC(=O)N C101731 [0,0,0,0,1,0|1,0,2]=4 129 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108494 [0,0,0,0,1,0|0,0,2]=3 130 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108495 [0,0,0,0,1,0|0,0,2]=3 131 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108496 [0,0,0,0,1,0|0,0,2]=3 132 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O C108497 [0,0,0,0,1,0|0,0,2]=3 133 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O P478163 [0,0,0,0,1,0|0,0,2]=3 134 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O T421496 [0,0,0,0,1,0|0,0,2]=3 135 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C167677 [0,0,0,0,1,0|0,0,3]=4 136 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] C170870 [0,0,0,0,1,0|0,0,3]=4 137 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [0,0,0,0,1,0|1,0,0]=2 138 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [0,0,0,0,1,0|1,0,0]=2 139 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [0,0,0,0,1,0|0,0,0]=1 140 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [0,0,0,0,1,0|0,0,0]=1 141 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [0,0,0,0,1,0|0,0,0]=1 142 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [0,0,0,0,1,0|3,0,0]=4 143 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [0,0,0,0,1,0|2,0,0]=3 144 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [0,0,0,0,1,0|2,1,0]=4 145 B11R1.91 C1=CC=C(C=C1)COC(=O)Cl B105737 [0,0,0,0,1,0|2,0,0]=3 146 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [0,0,0,0,1,0|2,0,0]=3 147 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [0,0,0,0,1,0|3,0,0]=4 148 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [0,0,0,0,1,0|2,0,0]=3 149 B11R1.91 C1=CC=C(C=C1)NCC(=O)O P111407 [0,0,0,0,1,0|1,0,0]=2 150 B11R1.91 C1=CC=C(C=C1)NCC(=O)[O-] N133268 [0,0,0,0,1,0|1,0,1]=3 151 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.91 C1=CC=C(C=C1)OCC(=N)N B301361 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.91 C1=CC=C(C=C1)OCC(=O)Cl P160117 [0,0,0,0,1,0|2,0,0]=3 154 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [0,0,0,0,1,0|2,0,0]=3 155 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107024 [0,0,0,0,1,0|1,0,0]=2 156 B11R1.91 C1=CC=C(C=C1)OCC(=O)O P107025 [0,0,0,0,1,0|1,0,0]=2 157 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] S563686 [0,0,0,0,1,0|1,0,1]=3 158 B11R1.91 C1=CC=C(C=C1)SCC(=O)Cl B301376 [0,0,0,0,1,0|2,0,0]=3 159 B11R1.91 C1=CC=C(C=C1)SCC(=O)O P101811 [0,0,0,0,1,0|1,0,0]=2 160 B11R1.91 C1=CC=NC(=C1)C=CC(=O)O E189192 [0,0,0,0,1,0|1,0,2]=4 161 B11R1.91 C1=CC=NC(=C1)CCC(=O)O P167476 [0,0,0,0,1,0|1,0,0]=2 162 B11R1.91 C1=CN=CC=C1C=CC(=O)O P160631 [0,0,0,0,1,0|1,0,2]=4 163 B11R1.91 C1=CN=CC=C1C=CC(=O)O T189221 [0,0,0,0,1,0|1,0,2]=4 164 B11R1.91 C1=CN=CC=C1CCC(=O)O P171257 [0,0,0,0,1,0|1,0,0]=2 165 B11R1.91 C1=CN=CC=C1SCC(=O)O P109703 [0,0,0,0,1,0|2,0,0]=3 166 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [0,0,0,0,1,0|3,0,0]=4 167 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P160127 [0,0,0,0,1,0|1,0,2]=4 168 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111783 [0,0,0,0,1,0|1,0,2]=4 169 B11R1.91 CC(=O)C=CC1=CC=CC=C1 P111784 [0,0,0,0,1,0|1,0,2]=4 170 B11R1.91 CC(=O)C=CC1=CC=CC=C1 T121970 [0,0,0,0,1,0|1,0,2]=4 171 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [0,0,0,0,1,0|1,0,0]=2 172 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [0,0,0,0,1,0|2,0,0]=3 173 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [0,0,0,0,1,0|2,0,0]=3 174 B11R1.91 CC(=O)NNC1=CC=CC=C1 A100226 [0,0,0,0,1,0|3,0,0]=4 175 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [0,0,0,0,1,0|2,0,0]=3 176 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [0,0,0,0,1,0|2,0,0]=3 177 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [0,0,0,0,1,0|2,0,1]=4 178 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [0,0,0,0,1,0|1,0,1]=3 179 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [0,0,0,0,1,0|1,0,1]=3 180 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [0,0,0,0,1,0|1,0,1]=3 181 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [0,0,0,0,1,0|2,0,1]=4 182 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [0,0,0,0,1,0|2,0,1]=4 183 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [0,0,0,0,1,0|3,0,0]=4 184 B11R1.172 C1=CNC=C1CCCC(=O)O P347698 [0,0,0,0,1,0|1,0,0]=2 185 B11R1.172 C1=CSC(=C1)CCCC(=O)O T472466 [0,0,0,0,1,0|1,0,0]=2 186 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O E404888 [0,0,0,0,0,1|0,0,3]=4 187 B13R1.337 C1=CC=C(C=C1)C=CC=CC(=O)O P189036 [0,0,0,0,0,1|0,0,3]=4 188 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O P160206 [0,0,0,0,0,1|0,0,0]=1 189 B13R1.337 C1=CC=C(C=C1)CCCCC(=O)O P422720 [0,0,0,0,0,1|0,0,0]=1 190 B13R1.337 C1=CC=C(C=C1)CCCOC(=O)N P304341 [0,0,0,0,0,1|1,0,0]=2 191 B13R1.337 C1=CC=C(C=C1)COCCC(=O)O B340507 [0,0,0,0,0,1|0,0,0]=1 192 B13R1.337 C1=CC=C(C=C1)OCCCC(=O)O P114446 [0,0,0,0,0,1|0,0,0]=1 193 B13R1.337 C1=CC=NC(=C1)SSCCC(=O)O P304388 [0,0,0,0,0,1|2,0,0]=3 194 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 B464409 [0,0,0,0,0,1|1,0,0]=2 195 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 C111357 [0,0,0,0,0,1|1,0,2]=4 196 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 C420427 [0,0,0,0,0,1|1,0,2]=4 197 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 E588097 [0,0,0,0,0,1|1,0,2]=4 198 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P135656 [0,0,0,0,0,1|2,0,0]=3 199 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 P140972 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [2,0,0,0,0,0|0,0,2]=4 201 B10R1.17 C1=CC=C(C=C1)C#CC=O P138572 [2,0,0,0,0,0|0,0,2]=4 202 B10R1.17 C1=CC=C(C=C1)C#CCO P111395 [2,0,0,0,0,0|0,0,2]=4 203 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [2,0,0,0,0,0|0,0,2]=4 204 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [2,0,0,0,0,0|0,0,2]=4 205 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [2,0,0,0,0,0|0,0,2]=4 206 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [2,0,0,0,0,0|0,0,2]=4 207 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [2,0,0,0,0,0|0,0,2]=4 208 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [2,0,0,0,0,0|0,0,2]=4 209 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [2,0,0,0,0,0|0,0,2]=4 210 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [2,0,0,0,0,0|0,0,2]=4 211 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [2,0,0,0,0,0|1,0,1]=4 212 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [2,0,0,0,0,0|0,0,0]=2 213 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [2,0,0,0,0,0|1,0,0]=3 214 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [2,0,0,0,0,0|0,0,0]=2 219 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [2,0,0,0,0,0|1,0,1]=4 222 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [2,0,0,0,0,0|1,0,0]=3 231 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [2,0,0,0,0,0|1,0,0]=3 232 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.17 C1=CN=CC=C1CCCN P192638 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.17 C1=CN=CC=C1CCCO P160633 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [2,0,0,0,0,0|0,0,1]=3 242 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [2,0,0,0,0,0|1,0,1]=4 244 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.17 C=COCC1=CC=CC=C1 B178307 [2,0,0,0,0,0|1,0,1]=4 246 B10R1.17 CCCCC1=CC=CC=C1 B100020 [2,0,0,0,0,0|0,0,1]=3 247 B10R1.17 CCCCC1=CC=CC=C1 B100021 [2,0,0,0,0,0|0,0,1]=3 248 B10R1.17 CCCCC1=CC=CC=C1 B128171 [2,0,0,0,0,0|0,0,1]=3 249 B10R1.17 CCCCC1=CN=CC=C1 B115782 [2,0,0,0,0,0|1,0,1]=4 250 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [2,0,0,0,0,0|1,0,1]=4 252 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [2,0,0,0,0,0|1,0,1]=4 253 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [2,0,0,0,0,0|1,0,1]=4 254 B10R1.17 CCCOC1=CC=CC=C1 P405762 [2,0,0,0,0,0|1,0,1]=4 255 B10R1.17 CCNCC1=CC=CC=C1 E113368 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.17 CCOCC1=CC=CC=C1 E193820 [2,0,0,0,0,0|1,0,1]=4 257 B10R1.17 CNCCC1=CC=CC=C1 N159074 [2,0,0,0,0,0|1,0,1]=4 258 B10R1.17 COCCC1=CC=CC=C1 P160567 [2,0,0,0,0,0|1,0,1]=4 259 B12R1.1 C1=CC(=CC=C1CCN=C=O)F B301354 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.8 C1=CC=C(C=C1)C#CCCCO P160163 [1,1,0,0,0,0|0,0,2]=4 264 B12R1.8 C1=CC=C(C=C1)C=CCOC=O C102138 [1,1,0,0,0,0|0,0,2]=4 265 B12R1.8 C1=CC=C(C=C1)CCCCCBr B404856 [1,1,0,0,0,0|1,0,1]=4 266 B12R1.8 C1=CC=C(C=C1)CCCCCO P160162 [1,1,0,0,0,0|0,0,1]=3 267 B12R1.8 C1=CC=C(C=C1)CCCN=C=O B301366 [1,1,0,0,0,0|0,0,1]=3 268 B12R1.8 C1=CC=C(C=C1)CNCCC#N B300485 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.8 C1=CC=C(C=C1)CNCCCN N158976 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.8 C1=CC=C(C=C1)CNCCCO B151809 [1,1,0,0,0,0|0,0,1]=3 271 B12R1.8 C1=CC=C(C=C1)COCCCBr B111397 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.8 C1=CC=C(C=C1)COCCCBr B165144 [1,1,0,0,0,0|1,0,1]=4 273 B12R1.8 C1=CC=C(C=C1)COCCCO B151933 [1,1,0,0,0,0|0,0,1]=3 274 B12R1.8 C1=CC=C(C=C1)OCCCCBr P160718 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.8 C1=CC=C(C=C1)OCCCCCl P335977 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [1,1,0,0,0,0|1,0,1]=4 278 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [1,1,0,0,0,0|1,0,1]=4 279 B12R1.27 C1=CC=C(C=C1)OCC(CO)O P133480 [1,1,0,0,0,0|1,0,1]=4 280 B12R1.27 CC(CO)NCC1=CC=CC=C1 S589912 [1,1,0,0,0,0|1,0,1]=4 281 B12R1.30 CCCCC(C1=CC=CC=C1)O P160160 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.30 CCCCC(C1=CC=CC=C1)O P424881 [1,1,0,0,0,0|1,0,1]=4 283 B12R1.30 CNCCC(C1=CC=CC=C1)O A136323 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.32 CN(CCO)CC1=CC=CC=C1 M134243 [1,1,0,0,0,0|1,0,1]=4 285 B12R1.267 C1=CC=C(C(=C1)CCN=C=O)F F300288 [1,1,0,0,0,0|1,0,1]=4 286 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Br B405223 [0,1,0,0,1,0|0,0,2]=4 287 B12R1.21 C1=CC(=CC=C1C#CC(=O)O)Cl C404131 [0,1,0,0,1,0|0,0,2]=4 288 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [0,1,0,0,1,0|0,0,2]=4 289 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [0,1,0,0,1,0|0,0,2]=4 290 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [0,1,0,0,1,0|0,0,2]=4 291 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [0,1,0,0,1,0|0,0,2]=4 292 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [0,1,0,0,1,0|0,0,2]=4 293 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [0,1,0,0,1,0|0,0,2]=4 294 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [0,1,0,0,1,0|0,0,2]=4 295 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [0,1,0,0,1,0|0,0,2]=4 296 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [0,1,0,0,1,0|0,0,2]=4 297 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [0,1,0,0,1,0|0,0,2]=4 298 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br B123074 [0,1,0,0,1,0|0,0,0]=2 299 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [0,1,0,0,1,0|0,0,0]=2 300 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F F156733 [0,1,0,0,1,0|0,0,0]=2 301 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N A151460 [0,1,0,0,1,0|0,0,0]=2 302 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P106355 [0,1,0,0,1,0|0,0,0]=2 303 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O P424325 [0,1,0,0,1,0|0,0,0]=2 304 B12R1.21 C1=CC(=CC=C1N)OCC(=O)O A588272 [0,1,0,0,1,0|1,0,0]=3 305 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O A165606 [0,1,0,0,1,0|1,0,0]=3 306 B12R1.21 C1=CC(=CC=C1NCC(=O)O)F F169812 [0,1,0,0,1,0|1,0,0]=3 307 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl C153889 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br B152378 [0,1,0,0,1,0|1,0,0]=3 309 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102889 [0,1,0,0,1,0|1,0,0]=3 310 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl C102890 [0,1,0,0,1,0|1,0,0]=3 311 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F F170192 [0,1,0,0,1,0|1,0,0]=3 312 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I I120189 [0,1,0,0,1,0|1,0,0]=3 313 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O H156889 [0,1,0,0,1,0|1,0,0]=3 314 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl C169088 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.21 CC(CCC1=CC=C(C=C1)O)O R134727 [0,1,0,0,1,0|1,0,1]=4 316 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [0,1,0,0,1,0|0,0,2]=4 317 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O P138270 [0,1,0,0,1,0|0,0,0]=2 318 B12R1.21 CC1=CC=C(C=C1)COC(=O)C M117867 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.21 CC1=CC=C(C=C1)OCC(=O)O M158250 [0,1,0,0,1,0|1,0,0]=3 320 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N H191553 [0,1,0,0,1,0|1,0,0]=3 321 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117036 [0,1,0,0,1,0|1,0,0]=3 322 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P117038 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N P137854 [0,1,0,0,1,0|1,0,0]=3 324 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P107007 [0,1,0,0,1,0|0,0,1]=3 325 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O P421862 [0,1,0,0,1,0|0,0,1]=3 326 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N H586335 [0,1,0,0,1,0|1,0,0]=3 327 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N P105974 [0,1,0,0,1,0|1,0,0]=3 328 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N S136991 [0,1,0,0,1,0|1,0,0]=3 329 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)Br B587562 [0,1,0,0,1,0|0,0,0]=2 330 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N D425386 [0,1,0,0,1,0|0,0,0]=2 331 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N L354493 [0,1,0,0,1,0|0,0,0]=2 332 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P103489 [0,1,0,0,1,0|0,0,0]=2 333 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P109094 [0,1,0,0,1,0|0,0,0]=2 334 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110424 [0,1,0,0,1,0|0,0,0]=2 335 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N P110425 [0,1,0,0,1,0|0,0,0]=2 336 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O D425723 [0,1,0,0,1,0|0,0,0]=2 337 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102441 [0,1,0,0,1,0|0,0,0]=2 338 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P102443 [0,1,0,0,1,0|0,0,0]=2 339 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O P113801 [0,1,0,0,1,0|0,0,0]=2 340 B12R1.43 C1=CC=C(C=C1)NC(=O)C(=O)O A354609 [0,1,0,0,1,0|1,0,1]=4 341 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N A167909 [0,1,0,0,1,0|1,0,0]=3 342 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N P117035 [0,1,0,0,1,0|1,0,0]=3 343 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A107875 [0,1,0,0,1,0|1,0,0]=3 344 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N A165279 [0,1,0,0,1,0|1,0,0]=3 345 B12R1.43 C1=CN=CC=C1CC(C(=O)O)N P160400 [0,1,0,0,1,0|1,0,0]=3 346 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B152644 [0,1,0,0,1,0|0,0,1]=3 347 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O M102145 [0,1,0,0,1,0|0,0,2]=4 348 B12R1.43 CC(C(=O)Cl)OC1=CC=CC=C1 P160289 [0,1,0,0,1,0|2,0,0]=4 349 B12R1.43 CC(C(=O)O)OC1=CC=CC=C1 P114961 [0,1,0,0,1,0|1,0,0]=3 350 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O M165389 [0,1,0,0,1,0|0,0,0]=2 351 B12R1.43 CC(CC1=CC=CC=N1)C(=O)O M586148 [0,1,0,0,1,0|1,0,0]=3 352 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N A151148 [0,1,0,0,1,0|1,0,0]=3 353 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N P113810 [0,1,0,0,1,0|0,0,0]=2 354 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N R160918 [0,1,0,0,1,0|0,0,0]=2 355 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N S193296 [0,1,0,0,1,0|0,0,0]=2 356 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)O H157337 [0,1,0,0,1,0|0,0,0]=2 357 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 B103859 [0,1,0,0,1,0|1,0,1]=4 358 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C D303544 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.107 CC(C1=CC=CC=C1)OC(=O)C P195955 [0,1,0,0,1,0|2,0,0]=4 360 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [0,1,0,0,1,0|0,0,0]=2 361 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M192082 [0,1,0,0,1,0|1,0,0]=3 362 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Br B101936 [0,1,0,0,1,0|0,0,2]=4 363 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl C103595 [0,1,0,0,1,0|0,0,2]=4 364 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F F101930 [0,1,0,0,1,0|0,0,2]=4 365 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [0,1,0,0,1,0|0,0,2]=4 366 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [0,1,0,0,1,0|0,0,0]=2 367 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [0,1,0,0,1,0|0,0,0]=2 368 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [0,1,0,0,1,0|0,0,0]=2 369 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [0,1,0,0,1,0|0,0,0]=2 370 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [0,1,0,0,1,0|0,0,0]=2 371 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl C115720 [0,1,0,0,1,0|1,0,0]=3 372 B12R1.125 CC1=CC=CC=C1C=CC(=O)O M158080 [0,1,0,0,1,0|0,0,2]=4 373 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [0,1,0,0,1,0|0,0,0]=2 374 B12R1.125 CC1=CC=CC=C1OCC(=O)O M168158 [0,1,0,0,1,0|1,0,0]=3 375 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [0,1,0,0,1,0|0,0,2]=4 376 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [0,1,0,0,1,0|0,0,2]=4 377 B12R1.226 C1=CC(=CC(=C1)Br)CCC(=O)O W135520 [0,1,0,0,1,0|0,0,0]=2 378 B12R1.226 C1=CC(=CC(=C1)Br)OCC(=O)O B587723 [0,1,0,0,1,0|1,0,0]=3 379 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [0,1,0,0,1,0|0,0,2]=4 380 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [0,1,0,0,1,0|0,0,2]=4 381 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O C132834 [0,1,0,0,1,0|0,0,0]=2 382 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O C185405 [0,1,0,0,1,0|1,0,0]=3 383 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [0,1,0,0,1,0|0,0,2]=4 384 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [0,1,0,0,1,0|0,0,2]=4 385 B12R1.226 C1=CC(=CC(=C1)F)CCC(=O)O F138869 [0,1,0,0,1,0|0,0,0]=2 386 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [0,1,0,0,1,0|0,0,2]=4 387 B12R1.226 C1=CC(=CC(=C1)N)CCC(=O)O A191401 [0,1,0,0,1,0|0,0,0]=2 388 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [0,1,0,0,1,0|0,0,2]=4 389 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H194243 [0,1,0,0,1,0|0,0,0]=2 390 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O H425147 [0,1,0,0,1,0|0,0,0]=2 391 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [0,1,0,0,1,0|0,0,2]=4 392 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O M470031 [0,1,0,0,1,0|0,0,0]=2 393 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N M351510 [0,1,0,0,1,0|2,0,0]=4 394 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O M132501 [0,1,0,0,1,0|1,0,0]=3 395 B12R1.891 C1=CC=C(C=C1)CCP(=O)(O)O P133714 [0,1,0,0,1,0|1,0,0]=3 396 B12R1.891 C1=CN=CC=C1CCS(=O)(=O)O P160784 [0,1,0,0,1,0|2,0,0]=4 397 B12R1.891 CC(C)(CCC1=CC=CC=C1)O M158675 [0,1,0,0,1,0|1,0,1]=4 398 B14R1.420 C1=CC=C(C=C1)C(=O)CCCC(=O)O B152463 [0,1,0,0,0,1|0,0,0]=2 399 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B129562 [0,1,0,0,0,1|0,0,1]=3 400 B14R1.420 C1=CC=C(C=C1)C(=O)NCCC(=O)O B423509 [0,1,0,0,0,1|0,0,1]=3 401 B14R1.423 C1=CC=C(C=C1)CC(=O)NCC(=O)O N135929 [0,1,0,0,0,1|0,0,1]=3 402 B14R1.423 C1=CC=C(C=C1)CC(=O)NCC(=O)O P424317 [0,1,0,0,0,1|0,0,1]=3 403 B14R1.423 C1=CC=C(C=C1)CC(CCC(=O)O)N A342167 [0,1,0,0,0,1|0,0,0]=2 404 B14R1.677 C1=CC(=CC=C1CCCCC(=O)O)O H589197 [0,1,0,0,0,1|0,0,0]=2 405 B14R1.716 C1=CC=C(C=C1)COCCC(CO)O R160962 [0,1,0,0,0,1|0,0,2]=4 406 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 E102004 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 E298587 [0,1,0,0,0,1|2,0,0]=4 408 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 P404966 [0,1,0,0,0,1|2,0,0]=4 409 B14R1.818 C1=CC=C(C=C1)COC(=O)CC(=O)O M341197 [0,1,0,0,0,1|0,0,1]=3 410 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B117238 [0,1,0,0,0,1|1,0,1]=4 411 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 B151842 [0,1,0,0,0,1|1,0,1]=4 412 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 B471282 [0,1,0,0,0,1|1,0,1]=4 413 B14R1.3331 C1=CC=[N+](C=C1)CCCCS(=O)(=O)O S304778 [0,1,0,0,0,1|2,0,0]=4 414 B14R1.6449 C1=CC=C(C=C1)C=CCC(C(=O)O)N S352635 [0,1,0,0,0,1|0,0,1]=3 415 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N B105978 [0,1,0,0,0,1|0,0,0]=2 416 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N I137417 [0,1,0,0,0,1|0,0,0]=2 417 B14R1.6449 C1=CC=C(C=C1)COCC(C(=O)O)N O159916 [0,1,0,0,0,1|0,0,0]=2 418 B14R1.6449 C1=CC=C(C=C1)CSCC(C(=O)O)N B109016 [0,1,0,0,0,1|0,0,0]=2 419 B14R1.149 C1=CC(=CC(=C1)O)C(=O)NCC(=O)O H305099 [0,2,0,0,0,0|1,0,1]=4 420 B14R1.149 CC1=CC(=CC=C1)C(=O)NCC(=O)O N159221 [0,2,0,0,0,0|1,0,1]=4 421 B14R1.160 C1=CC=C(C(=C1)C(=O)NCC(=O)O)I I157449 [0,2,0,0,0,0|1,0,1]=4 422 B14R1.160 C1=CC=C(C(=C1)C(=O)NCC(=O)O)O H184739 [0,2,0,0,0,0|1,0,1]=4 423 B14R1.160 C1=CC=C(C(=C1)C(COC(=O)N)O)Cl S357262 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O M134966 [0,2,0,0,0,0|1,0,1]=4 425 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 M158344 [0,2,0,0,0,0|0,0,1]=3 426 B14R1.415 C1=CC=C(C=C1)C(=O)NC(C(=O)O)O B299981 [0,2,0,0,0,0|1,0,1]=4 427 B14R1.415 CC(C(=O)O)NC(=O)C1=CC=CC=C1 B151909 [0,2,0,0,0,0|1,0,1]=4 428 B14R1.415 CC(C(=O)O)NC(=O)C1=CC=CC=C1 B182862 [0,2,0,0,0,0|1,0,1]=4 429 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)Br B152641 [0,2,0,0,0,0|0,0,1]=3 430 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)Cl C153557 [0,2,0,0,0,0|0,0,1]=3 431 B14R1.678 C1=CC(=CC=C1C(=O)CCC(=O)O)F F135480 [0,2,0,0,0,0|0,0,1]=3 432 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)O)F F404478 [0,2,0,0,0,0|1,0,1]=4 433 B14R1.678 C1=CC(=CC=C1C(=O)NCC(=O)O)N A112651 [0,2,0,0,0,0|1,0,1]=4 434 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O M158589 [0,2,0,0,0,0|0,0,1]=3 435 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O N159222 [0,2,0,0,0,0|1,0,1]=4 436 B14R1.813 C1=CC=C(C=C1)P(=O)(CCC(=O)O)O C153464 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.813 C1=CC=C(C=C1)S(=O)(=O)CCC(=O)O P474189 [0,2,0,0,0,0|1,0,0]=3 438 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O H344401 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.687 CC(=O)OCCC1=CC(=C(C=C1)O)O H425538 [0,2,0,0,0,0|2,0,0]=4 440 B14R1.698 C1=CC(=CC=C1NC(=O)CC(=O)O)Br B590837 [0,2,0,0,0,0|1,0,1]=4 441 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 D117520 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.756 CC(C(=O)OC)NCC1=CC=CC=C1 B357003 [0,2,0,0,0,0|1,0,0]=3 443 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O M158596 [0,2,0,0,0,0|0,0,0]=2 444 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 P302118 [0,2,0,0,0,0|2,0,0]=4 445 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 B131930 [0,2,0,0,0,0|0,0,0]=2 446 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 E156131 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 N103554 [0,2,0,0,0,0|1,0,0]=3 448 B12R2.1 C1CC(=NO)C2=CC=CC=C21 I169661 [1,0,0,1,0,0|1,0,1]=4 449 B12R2.2 C1CC(NC1)C2=CC=CC=C2 P345688 [1,0,0,1,0,0|1,0,1]=4 450 B12R2.2 C1CC(NC1)C2=CC=CC=C2 R176807 [1,0,0,1,0,0|1,0,1]=4 451 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T102999 [1,0,0,1,0,0|1,0,1]=4 452 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113718 [1,0,0,1,0,0|1,0,1]=4 453 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113722 [1,0,0,1,0,0|1,0,1]=4 454 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T401554 [1,0,0,1,0,0|1,0,1]=4 455 B12R2.1081 C1CC(C2=CC=CC=C2C1)O R160835 [1,0,0,1,0,0|0,0,1]=3 456 B12R2.1081 C1CC(C2=CC=CC=C2C1)O S161373 [1,0,0,1,0,0|0,0,1]=3 457 B12R2.1081 C1CC(C2=CC=CC=C2C1)O T161537 [1,0,0,1,0,0|0,0,1]=3 458 B12R2.1081 C1CC2=C(C=CC=N2)C(=O)C1 T176711 [1,0,0,1,0,0|1,0,0]=3 459 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [1,0,0,1,0,0|0,0,0]=2 460 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 T172481 [1,0,0,1,0,0|1,0,0]=3 461 B12R2.1081 C1CNC2=CC=CC=C2C1=O D303708 [1,0,0,1,0,0|1,0,0]=3 462 B12R2.1081 C1CNC2=CC=CC=C2C1=O D589973 [1,0,0,1,0,0|1,0,0]=3 463 B12R2.1081 C1COC(=O)C2=CC=CC=C21 I157658 [1,0,0,1,0,0|1,0,0]=3 464 B12R2.1081 C1COC2=CC=CC=C2C1=O C115094 [1,0,0,1,0,0|1,0,0]=3 465 B12R2.1081 C1CSC2=CC=CC=C2C1=O T169842 [1,0,0,1,0,0|1,0,0]=3 466 B12R2.2057 C1C(O1)COC2=CC=CC=C2 G156841 [1,0,0,1,0,0|1,0,1]=4 467 B12R2.2057 C1C(O1)COC2=CC=CC=C2 O123062 [1,0,0,1,0,0|1,0,1]=4 468 B12R2.2057 C1C(O1)COC2=CC=CC=C2 S139208 [1,0,0,1,0,0|1,0,1]=4 469 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [0,0,0,1,1,0|0,0,2]=4 470 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [0,0,0,1,1,0|0,0,2]=4 471 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [0,0,0,1,1,0|0,0,2]=4 472 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [0,0,0,1,1,0|0,0,2]=4 473 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [0,0,0,1,1,0|0,0,2]=4 474 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [0,0,0,1,1,0|2,0,0]=4 475 B12R2.24 C1C(=O)NC2=CC=CC=C2S1 H157316 [0,0,0,1,1,0|2,0,0]=4 476 B12R2.24 C1C2=CC=CC=C2COC1=O I138843 [0,0,0,1,1,0|2,0,0]=4 477 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [0,0,0,1,1,0|1,0,0]=3 478 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D107582 [0,0,0,1,1,0|0,0,0]=2 479 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D420880 [0,0,0,1,1,0|0,0,0]=2 480 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,1,1,0|1,0,0]=3 481 B12R2.24 C1CN2C=CC=CC2=NC1=O D138970 [0,0,0,1,1,0|2,0,0]=4 482 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I101072 [0,0,0,1,0,1|0,0,2]=4 483 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I101073 [0,0,0,1,0,1|0,0,2]=4 484 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I101074 [0,0,0,1,0,1|0,0,2]=4 485 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I426617 [0,0,0,1,0,1|0,0,2]=4 486 B14R2.2 C1=CC=C2C(=C1)C(=CN2)CC(=O)O I472129 [0,0,0,1,0,1|0,0,2]=4 487 B14R2.2 C1=CC=C2C(=C1)C(=CO2)CC(=O)O B194364 [0,0,0,1,0,1|0,0,2]=4 488 B14R2.2 C1=CC=C2C(=C1)C(=CS2)CC(=O)O B179488 [0,0,0,1,0,1|0,0,2]=4 489 B14R2.2 C1=CC=C2C(=C1)C(=NO2)CC(=O)O B136627 [0,0,0,1,0,1|1,0,1]=4 490 B14R2.2 C1=CC=C2C(=C1)C=CN2CC(=O)O I157600 [0,0,0,1,0,1|0,0,2]=4 491 B14R2.2 C1=CC=C2C(=C1)C=NN2CC(=O)O I183722 [0,0,0,1,0,1|1,0,1]=4 492 B14R2.2 C1=CC=C2C(=C1)N=NN2CC(=O)O B301238 [0,0,0,1,0,1|2,0,0]=4 493 B14R2.2 C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O C153488 [0,0,0,1,0,1|1,0,1]=4 494 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [0,0,0,1,0,1|1,0,0]=3 495 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [0,0,0,1,0,1|1,0,0]=3 496 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [0,0,0,1,0,1|1,0,0]=3 497 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 R464185 [0,0,0,1,0,1|1,1,0]=4 498 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 S464396 [0,0,0,1,0,1|1,1,0]=4 499 B14R2.19 C1C(NC(=S)S1)CC2=CC=CC=C2 S464076 [0,0,0,1,0,1|1,1,0]=4 500 B14R2.19 C1CN(CC1=O)CC2=CC=CC=C2 B121678 [0,0,0,1,0,1|1,0,0]=3 501 B14R2.19 C1CN(CC1O)CC2=CC=CC=C2 B119138 [0,0,0,1,0,1|1,0,1]=4 502 B14R2.19 C1CN(CC1O)CC2=CC=CC=C2 B119139 [0,0,0,1,0,1|1,0,1]=4 503 B14R2.19 C1CN(CC1O)CC2=CC=CC=C2 B121668 [0,0,0,1,0,1|1,0,1]=4 504 B14R2.21 C1CC(CC(=O)C1)C2=CC=CC=C2 P337741 [0,0,0,1,0,1|1,0,0]=3 505 B14R2.436 C1C(CC1=O)OCC2=CC=CC=C2 B176072 [0,0,0,1,0,1|1,0,0]=3 506 B14R2.31359 C1CC(C2=CC=CC=C2C1)C(=O)O S134870 [0,0,0,1,0,1|0,0,0]=2 507 B14R2.31359 C1CC(C2=CC=CC=C2C1)C(=O)O T132813 [0,0,0,1,0,1|0,0,0]=2 508 B14R2.31359 C1CNC(C2=CC=CC=C21)C(=O)O R191074 [0,0,0,1,0,1|0,0,0]=2 509 B14R2.31359 C1CNC(C2=CC=CC=C21)C(=O)O S191073 [0,0,0,1,0,1|0,0,0]=2 510 B14R2.31359 CC(=O)N1CCCC2=CC=CC=C21 A151251 [0,0,0,1,0,1|1,0,0]=3 511 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 P134663 [0,1,0,1,0,0|1,0,0]=3 512 B14R2.68 C1CC(=O)NN=C1C2=CC=CC=C2 D405725 [0,1,0,1,0,0|1,0,1]=4 513 B14R2.779 C1C(CC1C(=O)O)C2=CC=CC=C2 P177089 [0,1,0,1,0,0|0,0,0]=2 514 B14R2.300 CC(=O)N1CCC2=C1C=CC(=C2)Br A151395 [0,1,0,1,0,0|2,0,0]=4 515 B14R2.768 C1=CC2=NN(N=C2C=C1)CC(=O)O H170243 [0,1,0,1,0,0|2,0,0]=4 516 B14R2.768 C1=CC=C2C(=C1)C=C(O2)CC(=O)O B194238 [0,1,0,1,0,0|0,0,2]=4 517 B14R2.781 C1C(CNC2=CC=CC=C21)C(=O)O T586436 [0,1,0,1,0,0|1,0,0]=3 518 B14R2.781 C1C(COC2=CC=CC=C21)C(=O)O D166145 [0,1,0,1,0,0|1,0,0]=3 519 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O R132096 [0,1,0,1,0,0|1,0,0]=3 520 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O R344665 [0,1,0,1,0,0|1,0,0]=3 521 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O T115361 [0,1,0,1,0,0|1,0,0]=3 522 B14R2.781 C1C(NCC2=CC=CC=C21)C(=O)O T170264 [0,1,0,1,0,0|1,0,0]=3 523 B14R2.781 C1C(OC2=CC=CC=C2O1)C(=O)O B153003 [0,1,0,1,0,0|1,0,0]=3 524 B14R2.781 C1CC2=CC=CC=C2CC1C(=O)O T193795 [0,1,0,1,0,0|0,0,0]=2 525 B14R2.781 C1CC2=CC=CC=C2OC1C(=O)O C184937 [0,1,0,1,0,0|0,0,0]=2 526 B14R2.598 CC1C(OC(=O)N1)C2=CC=CC=C2 I167709 [0,1,0,1,0,0|1,0,0]=3 527 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 P107497 [0,1,0,1,0,0|2,0,0]=4 528 B14R2.741 C1CC2=CC=CC=C2NC(=O)C1Br B153195 [0,1,0,1,0,0|1,0,0]=3 529 B14R2.4402 C1C(C1C(=O)O)C2=CC=C(C=C2)Cl C590683 [0,1,0,1,0,0|0,0,0]=2 530 B14R2.5816 CC(=O)N1CCC2=C1C=C(C=C2)N A171231 [0,1,0,1,0,0|2,0,0]=4 531 B14R2.4514 CN1C(CCC1=O)C2=CN=CC=C2 S303802 [0,1,0,1,0,0|2,0,0]=4 532 B14R2.4514 CN1C(CCC1=O)C2=CN=CC=C2 S424214 [0,1,0,1,0,0|2,0,0]=4 533 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [0,0,0,0,2,0|2,0,0]=4 534 B10R1.18 C1=CC(=CN=C1)CC(=O)O P107547 [0,0,0,0,2,0|1,0,0]=3 535 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [0,0,0,0,2,0|2,0,0]=4 536 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [0,0,0,0,2,0|1,0,0]=3 537 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [0,0,0,0,2,0|1,0,0]=3 538 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [0,0,0,0,2,0|1,0,0]=3 539 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [0,0,0,0,2,0|0,0,0]=2 540 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [0,0,0,0,2,0|1,1,0]=4 541 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [0,0,0,0,2,0|1,0,1]=4 542 B10R1.18 C1=CC=C(C=C1)NC(=O)N P105589 [0,0,0,0,2,0|2,0,0]=4 543 B10R1.18 C1=CC=C(C=C1)OC(=O)Cl P106536 [0,0,0,0,2,0|2,0,0]=4 544 B10R1.18 C1=CC=C(C=C1)OC(=O)N P300418 [0,0,0,0,2,0|2,0,0]=4 545 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [0,0,0,0,2,0|1,0,0]=3 546 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N C153758 [0,0,0,0,2,0|2,0,0]=4 547 B10R1.18 C1=CN=CC=C1CC(=O)O P101990 [0,0,0,0,2,0|1,0,0]=3 548 B10R1.18 CC(=O)CC1=CC=NC=C1 P134516 [0,0,0,0,2,0|2,0,0]=4 549 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [0,0,0,0,2,0|2,0,0]=4 550 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 A151480 [0,0,0,0,2,0|2,0,0]=4 551 B10R1.18 CC(=O)NC1=CC=CC=C1 A103954 [0,0,0,0,2,0|2,0,0]=4 552 B10R1.18 CC(=O)NC1=CC=CC=C1 A103955 [0,0,0,0,2,0|2,0,0]=4 553 B10R1.18 CC(=O)NC1=CC=CC=C1 A103956 [0,0,0,0,2,0|2,0,0]=4 554 B10R1.18 CC(=O)NC1=CC=CC=C1 A103957 [0,0,0,0,2,0|2,0,0]=4 555 B10R1.18 CC(=O)NC1=CC=CC=C1 A119548 [0,0,0,0,2,0|2,0,0]=4 556 B10R1.18 CC(=O)OC1=CC=CC=C1 P108579 [0,0,0,0,2,0|2,0,0]=4 557 B10R1.18 CC(=O)OC1=CC=CC=C1 P342578 [0,0,0,0,2,0|2,0,0]=4 558 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [0,0,0,0,2,0|2,0,0]=4 559 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [0,0,0,0,2,0|1,0,1]=4 560 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [0,0,0,0,2,0|2,0,0]=4 561 B10R1.66 C1=C(NC=N1)CCC(=O)O I165812 [0,0,0,0,2,0|2,0,0]=4 562 B10R1.66 C1=CN(C=C1)CCC(=O)O D304839 [0,0,0,0,2,0|1,0,0]=3 563 B10R1.66 C1=COC(=C1)CCC(=O)O F188394 [0,0,0,0,2,0|1,0,0]=3 564 B10R1.66 C1=CSC(=C1)CCC(=O)O T472520 [0,0,0,0,2,0|1,0,0]=3 565 B14R1.422 C1=CC=C(C=C1)CCCCCC(=O)O P160209 [0,0,0,0,0,2|0,0,0]=2 566 B14R1.422 C1=CC=C(C=C1)COCCCC(=O)O B165577 [0,0,0,0,0,2|0,0,0]=2 567 B14R1.422 C1=CC=C(C=C1)OCCCCC(=O)O P339512 [0,0,0,0,0,2|0,0,0]=2