0 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 P302118 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 B131930 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 E156131 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 N103554 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.520 CCOC(C)OCCC1=CC=CC=C1 E414385 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.28 CCCCCCCC1=CC=CC=C1 H157141 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 P303520 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 P160125 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.718 [Na]OC(=O)CCCC1=CC=CC=C1 S408179 [1,0,0,0,0,0|1,0,0]=2 9 B15R1.89 CCOC(=O)C=CC(=O)C1=CC=CC=C1 E102471 [0,1,0,0,0,0|0,0,3]=4 10 B15R1.89 CCOC(=O)C=CC(=O)C1=CC=CC=C1 E156369 [0,1,0,0,0,0|0,0,3]=4 11 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E194746 [0,1,0,0,0,0|0,0,1]=2 12 B15R1.826 CCOC(=O)C(=NNC1=CC=CC=C1)Cl L118711 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 E102468 [0,1,0,0,0,0|0,0,1]=2 14 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N H117187 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N H117188 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O E119769 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O S586809 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 P160776 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 B133860 [0,0,0,1,0,0|2,0,0]=3 20 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 B193233 [0,0,0,1,0,0|2,0,0]=3 21 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 B588814 [0,0,0,1,0,0|2,0,0]=3 22 B15R2.31 C1CN(CC(=O)N1)CC2=CC=CC=C2 W134286 [0,0,0,1,0,0|2,0,0]=3 23 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C21 E124779 [0,0,0,1,0,0|1,0,2]=4 24 B15R2.73 CCOC(=O)C1=NOC2=CC=CC=C21 E156495 [0,0,0,1,0,0|2,0,1]=4 25 B15R2.325 C1=CC=C(C=C1)CC2C(=O)OC(=O)N2 L191023 [0,0,0,1,0,0|2,0,1]=4 26 B15R2.2196 C1CSC(=N1)NCCC2=CC=CC=C2 C416710 [0,0,0,1,0,0|2,1,0]=4 27 B13R1.42 C1=CC=C(C=C1)CNC(=O)CCCl B136633 [0,0,0,0,1,0|3,0,0]=4 28 B13R1.42 C1=CC=C(C=C1)COC(=O)CCN B133773 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.42 C1=CC=C(C=C1)COC(=O)CCO B181520 [0,0,0,0,1,0|3,0,0]=4 30 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 B151844 [0,0,0,0,1,0|2,0,0]=3 31 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E156544 [0,0,0,0,1,0|0,0,2]=3 32 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103904 [0,0,0,0,1,0|0,0,2]=3 33 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 E103906 [0,0,0,0,1,0|0,0,2]=3 34 B13R1.42 CCOC(=O)C=CC1=CN=CC=C1 E185464 [0,0,0,0,1,0|1,0,2]=4 35 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E107514 [0,0,0,0,1,0|0,0,0]=1 36 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 N159323 [0,0,0,0,1,0|1,0,0]=2 37 B13R1.42 CCOC(=O)COC1=CC=CC=C1 E156512 [0,0,0,0,1,0|1,0,0]=2 38 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 E101825 [0,0,0,0,1,0|1,0,0]=2 39 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 C153316 [0,0,0,0,0,1|1,0,2]=4 40 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 E156249 [0,0,0,0,0,1|0,0,0]=1 41 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 E124449 [0,0,0,0,0,1|0,0,0]=1 42 B12R1.8 C1=CC=C(C=C1)CCCCCBr B404856 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.8 C1=CC=C(C=C1)CCCCCO P160162 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [2,0,0,0,0,0|0,0,1]=3 45 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [2,0,0,0,0,0|0,0,1]=3 46 B12R1.8 CCCCCC[N+]1=CC=CC=C1 H157301 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.8 CCCCCC[N+]1=CC=CC=C1 N304538 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [2,0,0,0,0,0|0,0,2]=4 50 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [2,0,0,0,0,0|0,0,0]=2 51 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [2,0,0,0,0,0|0,0,0]=2 52 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O B116988 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O N131794 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.252 C1=CC=C(C=C1)COCC(=O)Cl B113756 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.252 C1=CC=C(C=C1)COCC(=O)O B124198 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O P136846 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.252 CC(=O)COCC1=CC=CC=C1 B168757 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [2,0,0,0,0,0|1,0,0]=3 61 B14R1.14 CCCCCCCC1=CC=C(C=C1)N H157048 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.14 CCCCCCCC1=CC=C(C=C1)O H132819 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.123 C1=CC=C(C=C1)COCCOCCBr B586791 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.123 C1=CC=C(C=C1)COCCOCCO D154354 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.123 CCCCCCCCC1=CC=CC=C1 N159325 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 M158344 [1,1,0,0,0,0|0,0,1]=3 67 B14R1.756 CC(C(=O)OC)NCC1=CC=CC=C1 B357003 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.6449 CC(=C)C(=O)OCCC1=CC=CC=C1 P303565 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 P160793 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 E107010 [0,1,0,0,1,0|0,0,1]=3 71 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 E192420 [0,1,0,0,1,0|1,0,1]=4 72 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 E137142 [0,1,0,0,1,0|1,0,1]=4 73 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 E589716 [0,1,0,0,1,0|1,0,1]=4 74 B14R1.60 CCOC(=O)C(CC1=CC=CC=C1)N P109013 [0,1,0,0,1,0|0,0,0]=2 75 B14R1.60 CCOC(=O)C(CC1=CC=CC=C1)N R589727 [0,1,0,0,1,0|0,0,0]=2 76 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)Br E192267 [0,1,0,0,1,0|0,0,2]=4 77 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)F E156283 [0,1,0,0,1,0|0,0,2]=4 78 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O E304519 [0,1,0,0,1,0|0,0,2]=4 79 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Br E138811 [0,1,0,0,1,0|0,0,0]=2 80 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Cl E589967 [0,1,0,0,1,0|0,0,0]=2 81 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 B405431 [0,1,0,0,1,0|2,0,0]=4 82 B14R1.818 CC(C)OC(=O)C=CC1=CC=CC=C1 I101492 [0,1,0,0,1,0|0,0,2]=4 83 B16R1.1570 CCOC(=O)CC(=O)NCC1=CC=CC=C1 E156348 [0,1,0,0,0,1|0,0,1]=3 84 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)C E404407 [0,2,0,0,0,0|0,0,1]=3 85 B16R1.912 CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1 E137650 [0,2,0,0,0,0|0,0,2]=4 86 B16R1.2180 CCCC(=O)OC(C)(C)CC1=CC=CC=C1 D302060 [0,2,0,0,0,0|2,0,0]=4 87 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 T137043 [0,2,0,0,0,0|2,0,0]=4 88 B14R2.6 C1CN(CC=C1)CC2=CC=CC=C2 B176402 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.6 C1CNCCC1CC2=CC=CC=C2 B121578 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.6 C1COCCN1CC2=CC=CC=C2 B189408 [1,0,0,1,0,0|1,0,1]=4 91 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [1,0,0,1,0,0|1,0,0]=3 92 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [1,0,0,1,0,0|1,0,0]=3 93 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [1,0,0,1,0,0|1,0,0]=3 94 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 R464185 [1,0,0,1,0,0|1,1,0]=4 95 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 S464396 [1,0,0,1,0,0|1,1,0]=4 96 B14R2.19 C1CN(CC1=O)CC2=CC=CC=C2 B121678 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 P134663 [1,0,0,1,0,0|0,0,0]=2 98 B14R2.68 C1CN(CCC1=O)C2=CC=NC=C2 P190415 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.4514 CN1C(CCC1=O)C2=CN=CC=C2 S303802 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.4514 CN1C(CCC1=O)C2=CN=CC=C2 S424214 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.21 C1CC(CC(=O)C1)C2=CC=CC=C2 P337741 [0,0,0,1,1,0|1,0,0]=3 102 B14R2.598 C1C(C(=O)OC1=O)C2=CC=CC=C2 P102634 [0,0,0,1,1,0|1,0,1]=4 103 B14R2.598 CC1C(OC(=O)N1)C2=CC=CC=C2 I167709 [0,0,0,1,1,0|2,0,0]=4 104 B14R2.2899 C1CN1C(=O)OCC2=CC=CC=C2 B588444 [0,0,0,1,1,0|2,0,0]=4 105 B16R2.5 CCOC(=O)CC1=CNC2=CC=CC=C21 E139268 [0,0,0,1,0,1|0,0,2]=4 106 B16R2.3258 C1CN(CCNC1=O)CC2=CC=CC=C2 B185167 [0,0,0,1,0,1|1,0,0]=3 107 B16R2.29786 CCOC(=O)C1C(O1)(C)C2=CC=CC=C2 A117705 [0,1,0,1,0,0|1,0,0]=3 108 B16R2.28948 CCOC(=O)C1CC1C2=CC(=CC=C2)Cl E304985 [0,1,0,1,0,0|0,0,0]=2 109 B16R2.734 CCOC(=O)CC1=NC2=CC=CC=C2S1 E615695 [0,1,0,1,0,0|1,0,1]=4 110 B16R2.767 CCOC(=O)C1COC2=CC=CC=C2O1 E156096 [0,1,0,1,0,0|1,0,0]=3 111 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C I168422 [0,1,0,1,0,0|1,0,0]=3 112 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C S587607 [0,1,0,1,0,0|1,0,0]=3 113 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr B104541 [1,0,0,0,1,0|2,0,0]=4 115 B12R1.27 C1=CC=C(C=C1)COC(=O)CCl B152737 [1,0,0,0,1,0|2,0,0]=4 116 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.27 C1=CC=C(C=C1)COC(=O)CO B135438 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.27 CCC(=O)OCC1=CC=CC=C1 B151869 [1,0,0,0,1,0|1,0,0]=3 120 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M158709 [1,0,0,0,1,0|0,0,2]=4 121 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M106187 [1,0,0,0,1,0|0,0,2]=4 122 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M167947 [1,0,0,0,1,0|0,0,2]=4 123 B12R1.27 COC(=O)C=CC1=CC=CC=C1 M420410 [1,0,0,0,1,0|0,0,2]=4 124 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [1,0,0,0,1,0|0,0,0]=2 125 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [1,0,0,0,1,0|0,0,0]=2 126 B12R1.27 COC(=O)COC1=CC=CC=C1 M138460 [1,0,0,0,1,0|1,0,0]=3 127 B12R1.27 COC(=O)CSC1=CC=CC=C1 M101824 [1,0,0,0,1,0|1,0,0]=3 128 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103494 [0,0,0,0,2,0|0,0,0]=2 129 B12R1.32 CCOC(=O)CC1=CC=CC=C1 E103495 [0,0,0,0,2,0|0,0,0]=2 130 B12R1.32 CCOC(=O)CC1=CC=CC=N1 E138597 [0,0,0,0,2,0|1,0,0]=3 131 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E100811 [0,0,0,0,2,0|1,0,0]=3 132 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E113740 [0,0,0,0,2,0|1,0,0]=3