0 B9R0.11 CC(=O)C(C)(C)CN(C)C Z1259162017 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.11 CC(C)(CC(F)F)C(=O)O Z1321944873 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.11 CN(C)CC(C)(C)C(=O)O Z2941395068 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.12 COCC(C)(N)C(=O)N Z1267773731 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [1,0,0,0,0,0|0,0,2]=3 24 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [1,0,0,0,0,0|0,0,0]=1 30 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,0,0,0,0,0|0,0,0]=1 31 B8R0.23 CC(C)CN(C)C(=N)N Z2526714360 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,0,0,0,0,0|0,0,0]=1 33 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,0,0,0,0,0|0,0,0]=1 34 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [1,0,0,0,0,0|1,0,0]=2 35 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.34 CC(C)CC(C)(C)C#N Z1255383252 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.34 CC(C)CC(C)(C)CN Z1359429576 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.34 CC(C)CC(C)(N)CO Z734150960 [1,0,0,0,0,0|0,0,1]=2 52 B8R0.34 CC(C)NC(C)(C)CO Z267081438 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.34 CC(N)(CO)CC(F)F Z3809726461 [1,0,0,0,0,0|2,0,1]=4 54 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,1,0,0,0,0|2,0,1]=4 55 B10R0.117 CC(C)C(N)C(C)(C)C(=O)O Z2787257706 [0,1,0,0,0,0|1,0,0]=2 56 B10R0.117 CC(C)C(O)C(C)(C)C(=O)O Z982140642 [0,1,0,0,0,0|1,0,0]=2 57 B10R0.117 CC(C)C(O)C(F)(F)C(=O)O Z982139518 [0,1,0,0,0,0|2,0,0]=3 58 B10R0.117 CN(C)C(=O)C(C)(C)C(=O)O Z1544745313 [0,1,0,0,0,0|2,0,1]=4 59 B10R0.119 CC(C)CC(C)(CN)C(=O)O Z2890496360 [0,1,0,0,0,0|0,0,0]=1 60 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.163 CC(C)(C)CC(C)(C)C(=O)O Z1262511189 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.83 CC(C)C1NC(=O)C1(C)C Z1203732248 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.120 CC1(CC(CNC1=O)O)C Z2582782763 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(=O)O Z4433641075 [0,0,0,1,0,0|0,0,0]=1 65 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.442 CC(C)CC1(CC1)C(=O)O Z1270131184 [0,0,0,1,0,0|1,0,0]=2 67 B10R1.442 CC(C)NC1(CC1)C(=O)O Z4570268872 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.442 CN(C)CC1(CC1)C(=O)O Z2238508630 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.470 CC1=NOC(C1)(C)C(=O)O Z1198309644 [0,0,0,1,0,0|2,0,1]=4 71 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,0,0,1,0,0|0,0,0]=1 72 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,0,0,1,0,0|1,0,0]=2 74 B10R1.560 CC1(CC(C(=O)O1)(C)N)C Z2217033064 [0,0,0,1,0,0|0,0,0]=1 75 B10R1.566 CC1(CC(C1)(F)F)C(=O)O Z1262527350 [0,0,0,1,0,0|3,0,0]=4 76 B10R1.566 CC1(CC(C1)(N)C(=O)O)C Z3048844013 [0,0,0,1,0,0|0,0,0]=1 77 B10R1.566 CC1(CC(C1)(O)C(=O)O)C Z1205497280 [0,0,0,1,0,0|1,0,0]=2 78 B10R1.566 NC1(CC(C1)(F)F)C(=O)O Z1603778714 [0,0,0,1,0,0|2,0,0]=3 79 B10R1.566 O=C(O)C1(CC(C1)(F)F)O Z3033360998 [0,0,0,1,0,0|3,0,0]=4 80 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [0,0,0,0,1,0|3,0,0]=4 81 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,0,0,0,1,0|1,0,0]=2 82 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,0,0,0,1,0|1,0,0]=2 83 B8R0.37 CC(C)C(F)(F)C(=O)[O-] Z4020198961 [0,0,0,0,1,0|2,0,1]=4 84 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,0,0,0,1,0|2,0,1]=4 85 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,0,0,0,1,0|2,0,0]=3 86 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,0,0,0,1,0|1,0,0]=2 87 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,0,0,0,1,0|2,0,0]=3 88 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,0,0,0,1,0|2,0,0]=3 89 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,0,0,0,0,1|2,0,1]=4 90 B10R0.43 CC(C)CCC(C)(N)C(=O)O Z398557150 [0,0,0,0,0,1|0,0,0]=1 91 B10R0.165 CC(C)CS(=O)(=O)CC(=O)O Z295402414 [0,0,0,0,0,1|3,0,0]=4 92 B10R0.165 CN(C)CC(C)(C)CC(=O)O Z4325360477 [0,0,0,0,0,1|2,0,0]=3 93 B7R0.5 C=CCC(N)C(=O)O Z317024964 [2,0,0,0,0,0|0,0,2]=4 94 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [2,0,0,0,0,0|0,0,2]=4 95 B7R0.5 CC(CCN)C(=O)O Z2298167292 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.5 CCCC(C)C(=O)O Z104477112 [2,0,0,0,0,0|0,0,0]=2 97 B7R0.5 CCCC(N)C(=O)O Z317024724 [2,0,0,0,0,0|0,0,0]=2 98 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [2,0,0,0,0,0|0,0,0]=2 100 B7R0.5 CCNC(C)C(=O)O Z3181996310 [2,0,0,0,0,0|1,0,0]=3 101 B7R0.5 CCOC(C)C(=O)O Z316258934 [2,0,0,0,0,0|1,0,0]=3 102 B7R0.5 CNCC(C)C(=O)O Z1270387301 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.5 COCC(C)C(=O)O Z431541094 [2,0,0,0,0,0|1,0,0]=3 104 B7R0.5 COCC(N)C(=O)O Z1613478163 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.5 CSCC(C)C(=O)O Z732206684 [2,0,0,0,0,0|1,0,0]=3 106 B7R0.5 CSCC(N)C(=O)O Z317025996 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.5 NC(CCF)C(=O)O Z2470036329 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.5 NC(CCO)C(=O)O Z234896487 [2,0,0,0,0,0|1,0,0]=3 109 B7R0.5 NCCC(F)C(=O)O Z3235903750 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [2,0,0,0,0,0|1,0,0]=3 111 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [2,0,0,0,0,0|1,0,0]=3 113 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.11 CCCC(C)(N)CO Z734150846 [2,0,0,0,0,0|0,0,1]=3 115 B7R0.11 COCC(C)(N)CO Z992449368 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [2,0,0,0,0,0|2,0,0]=4 117 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [2,0,0,0,0,0|2,0,0]=4 119 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [2,0,0,0,0,0|1,0,0]=3 121 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [2,0,0,0,0,0|1,0,0]=3 124 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [2,0,0,0,0,0|1,0,0]=3 127 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [2,0,0,0,0,0|0,0,0]=2 128 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.13 COC(C)(C)C(=O)O Z803492148 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.2 CC(C)CC(C)C#N Z415654744 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.2 CC(C)CC(C)CO Z1198147790 [2,0,0,0,0,0|0,0,1]=3 134 B7R0.2 CC(C)CC(N)C#N Z449369050 [2,0,0,0,0,0|1,0,1]=4 135 B7R0.2 CC(C)CC(N)CN Z425861052 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.2 CC(C)CC(N)CO Z734151210 [2,0,0,0,0,0|0,0,1]=3 137 B7R0.2 CN(C)CC(N)CO Z2092369044 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.6 CC(=O)CCC(=O)O Z104477318 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.6 CC(C)C#CC(=O)O Z1205493820 [2,0,0,0,0,0|0,0,2]=4 140 B7R0.6 CC(C)CCC(=N)N Z2522503133 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.6 CC(C)CCC(=O)O Z56347204 [2,0,0,0,0,0|0,0,0]=2 142 B7R0.6 CC(C)CNC(=O)N Z56895708 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.6 CC(C)NCC(=O)N Z56969693 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.6 CC(C)NCC(=O)O Z359419672 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.6 CC(C)OCC(=O)O Z316259244 [2,0,0,0,0,0|1,0,0]=3 146 B7R0.6 CC(C)SCC(=O)O Z214812600 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.6 CC(N)CCC(=O)O Z1235963367 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.6 CC(O)CCC(=O)O Z838959470 [2,0,0,0,0,0|1,0,0]=3 149 B7R0.6 CN(C)CCC(=O)N Z168912842 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.6 CN(C)CCC(=O)O Z168912830 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.6 CS(=O)CCC(=O)O Z667974346 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.9 CN(C)CC(C)(C)N Z2284400097 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.9 CN(C)CC(C)(C)O Z2235790912 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [1,1,0,0,0,0|1,0,0]=3 158 B9R0.28 CCC(O)C(F)(F)C(=O)O Z982139396 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.28 CCN(C)C(C)(C)C(=O)O Z1495385228 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [1,1,0,0,0,0|1,0,0]=3 162 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [1,1,0,0,0,0|0,0,0]=2 165 B9R0.60 CNCC(C)(C)C(=O)OC Z4201314156 [1,1,0,0,0,0|2,0,0]=4 166 B9R0.60 COC(=O)C(C)(C)CCN Z2037273259 [1,1,0,0,0,0|2,0,0]=4 167 B9R0.60 COCC(C)(N)C(=O)OC Z898422656 [1,1,0,0,0,0|1,0,0]=3 168 B9R0.60 COCC(C)(O)C(=O)OC Z992449376 [1,1,0,0,0,0|2,0,0]=4 169 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [1,1,0,0,0,0|1,0,0]=3 172 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [1,1,0,0,0,0|1,0,0]=3 173 B9R0.10 CC(C)CC(C)S(=O)(=O)N Z954606604 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.23 CCC(=O)C(C)CC(C)C Z1138187020 [1,1,0,0,0,0|1,0,0]=3 175 B9R0.23 CNC(=O)C(N)CC(C)C Z815264052 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [1,1,0,0,0,0|1,0,1]=4 177 B9R0.23 COC(=O)C(N)CC(C)C Z56960272 [1,1,0,0,0,0|0,0,0]=2 178 B9R0.23 COC(=O)C(N)CN(C)C Z2096088400 [1,1,0,0,0,0|1,0,0]=3 179 B9R0.23 COC(=O)C(O)CC(C)C Z965047572 [1,1,0,0,0,0|1,0,0]=3 180 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [1,1,0,0,0,0|0,0,0]=2 181 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [1,1,0,0,0,0|0,0,0]=2 182 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [1,1,0,0,0,0|1,0,0]=3 184 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [1,1,0,0,0,0|0,0,0]=2 185 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [1,1,0,0,0,0|0,0,0]=2 187 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [1,1,0,0,0,0|2,0,0]=4 188 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.57 C/C(=C\C(C)(C)C)/C(=O)O Z1868430509 [1,1,0,0,0,0|0,0,2]=4 191 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [1,1,0,0,0,0|0,0,0]=2 192 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [1,1,0,0,0,0|1,0,0]=3 193 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [1,1,0,0,0,0|0,0,0]=2 194 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [1,1,0,0,0,0|0,0,0]=2 195 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [1,1,0,0,0,0|0,0,0]=2 196 B9R0.57 CC(CC(F)(F)F)C(=O)O Z1201619644 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [1,1,0,0,0,0|1,0,0]=3 199 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [1,1,0,0,0,0|0,0,0]=2 201 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [1,1,0,0,0,0|1,0,0]=3 202 B9R0.76 CCC(N)(C(=O)N)C(C)C Z727616020 [0,1,0,0,1,0|1,0,0]=3 203 B9R0.80 CC(C)(C)C(C)(C)C(=O)O Z1205493736 [0,1,0,0,1,0|1,0,0]=3 204 B9R0.80 CC(C)(F)C(C)(F)C(=O)O Z3463117068 [0,1,0,0,1,0|1,0,0]=3 205 B9R0.80 CC(C)(N)C(C)(C)C(=O)O Z1255523358 [0,1,0,0,1,0|1,0,0]=3 206 B9R0.80 CC(C)(O)C(F)(F)C(=O)O Z982139052 [0,1,0,0,1,0|2,0,0]=4 207 B9R0.80 CC(F)(F)C(C)(C)C(=O)O Z1262555899 [0,1,0,0,1,0|2,0,0]=4 208 B9R0.80 CC(N)(C(=O)O)C(F)(F)F Z1269704823 [0,1,0,0,1,0|2,0,0]=4 209 B11R0.371 CCC(C)(CCC(C)C)C(=O)O Z995182176 [0,1,0,0,0,1|1,0,0]=3 210 B11R0.429 CC(C)(C)CCC(C)(N)C(=O)O Z2028214444 [0,1,0,0,0,1|0,0,0]=2 211 B11R0.208 CC(C)(C)CC(C)(C)NC(=O)N Z839077184 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [1,0,0,1,0,0|2,0,0]=4 213 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [1,0,0,1,0,0|2,0,0]=4 214 B9R1.40 CC1(NCCOC1=O)C Z406682076 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [1,0,0,1,0,0|0,0,2]=4 216 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [1,0,0,1,0,0|0,0,0]=2 218 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [1,0,0,1,0,0|1,0,1]=4 219 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [1,0,0,1,0,0|1,0,0]=3 220 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [1,0,0,1,0,0|1,0,0]=3 221 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [1,0,0,1,0,0|1,0,0]=3 223 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,0,0,1,0,0|0,0,0]=2 226 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [1,0,0,1,0,0|1,0,0]=3 228 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [1,0,0,1,0,0|2,0,0]=4 229 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [1,0,0,1,0,0|2,0,0]=4 230 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [1,0,0,1,0,0|0,0,2]=4 233 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,0,0,1,0,0|0,0,0]=2 234 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.165 CC(C)(C(=O)O)C1CC1 Z1205494855 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.165 CC(N)(C(=O)N)C1CC1 Z1470344909 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [1,0,0,1,0,0|0,0,0]=2 242 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [1,0,0,1,0,0|1,0,0]=3 243 B9R1.165 O=C(O)C(F)(F)C1CC1 Z1791408651 [1,0,0,1,0,0|2,0,0]=4 244 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [1,0,0,1,0,0|2,0,0]=4 246 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [1,0,0,1,0,0|0,0,2]=4 247 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [1,0,0,1,0,0|0,0,0]=2 249 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [1,0,0,1,0,0|1,0,0]=3 250 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [1,0,0,1,0,0|1,0,0]=3 252 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [1,0,0,1,0,0|1,0,0]=3 253 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [1,0,0,1,0,0|1,0,0]=3 254 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [1,0,0,1,0,0|1,0,0]=3 258 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [1,0,0,1,0,0|1,0,0]=3 259 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|1,0,0]=3 260 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,0,0,1,0,0|1,0,0]=3 261 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [1,0,0,1,0,0|1,0,1]=4 263 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.36 CC1CC(NC1=O)(C)C Z1263714376 [1,0,0,1,0,0|1,0,0]=3 265 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [1,0,0,1,0,0|1,0,0]=3 266 B9R1.69 CC1CCC(C(C1)C)O Z854051758 [1,0,0,1,0,0|1,0,1]=4 267 B9R1.69 CC1CN(CCC1=O)C Z825753356 [1,0,0,1,0,0|2,0,0]=4 268 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [1,0,0,1,0,0|1,0,0]=3 269 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [1,0,0,1,0,0|0,0,0]=2 270 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [1,0,0,1,0,0|1,0,0]=3 271 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [1,0,0,1,0,0|0,0,0]=2 272 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [1,0,0,1,0,0|0,0,0]=2 273 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.164 O=C(O)C1CC(C1)(F)F Z316121458 [1,0,0,1,0,0|2,0,0]=4 275 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [1,0,0,1,0,0|2,0,0]=4 276 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [1,0,0,1,0,0|0,0,0]=2 277 B9R1.64 CC(C)(C=O)CC1CC1 Z2301244379 [1,0,0,1,0,0|1,0,0]=3 278 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [1,0,0,1,0,0|0,0,1]=3 279 B9R1.128 CC(C)OC1(CC1)C=O Z2301377590 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.146 CC1(CCC(C1)(C)N)C Z4358474975 [1,0,0,1,0,0|1,0,1]=4 281 B9R1.200 CC1(CC(C1)(C)C=O)C Z3013914420 [1,0,0,1,0,0|1,0,0]=3 282 B9R1.200 CCC1(CC(C1)(C)C)N Z5119001835 [1,0,0,1,0,0|1,0,1]=4 283 B9R1.168 CC(C)C1(CC1)C(=O)O Z1205498035 [0,0,0,1,1,0|1,0,0]=3 284 B9R1.168 CN(C)C1(CC1)C(=O)O Z1205494515 [0,0,0,1,1,0|2,0,0]=4 285 B11R1.220 CC1(CCC(CC1)O)C(=O)O Z1262526806 [0,0,0,1,0,1|2,0,0]=4 286 B11R1.220 CC1=CCC(CC1)(C)C(=O)O Z1262511092 [0,0,0,1,0,1|1,0,1]=4 287 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,0,0,1,0,1|0,0,0]=2 288 B11R1.220 CN1CCC(CC1)(C)C(=O)O Z1762997281 [0,0,0,1,0,1|2,0,0]=4 289 B11R1.220 CN1CCC(CC1)(F)C(=O)O Z3244401818 [0,0,0,1,0,1|2,0,0]=4 290 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,0,0,1,0,1|1,0,0]=3 291 B11R1.738 CC1(CC(CN1)(C)C(=O)O)C Z4456655366 [0,0,0,1,0,1|1,0,0]=3 292 B11R1.1389 NC1(CC(C1)C(F)F)C(=O)O Z1847674411 [0,0,0,1,0,1|2,0,0]=4 293 B11R1.1391 CN(C)CCC1(CC1)C(=O)O Z3417039454 [0,0,0,1,0,1|2,0,0]=4 294 B11R1.1362 CC1(CC(=O)CC(C1)(C)C)C Z1255415405 [0,0,0,1,0,1|2,0,0]=4 295 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,1,0,1,0,0|2,0,0]=4 296 B11R1.667 CC1CC(CCO1)(C)C(=O)O Z2690351087 [0,1,0,1,0,0|1,0,0]=3 297 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,1,0,1,0,0|0,0,0]=2 298 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,1,0,0|0,0,0]=2 299 B11R1.1229 CCC1CCC(C1)(O)C(=O)O Z381410914 [0,1,0,1,0,0|1,0,0]=3 300 B11R1.1398 CC(C)(C(=O)O)C(N)C1CC1 Z4014178722 [0,1,0,1,0,0|1,0,0]=3 301 B11R1.929 CC(C)CC1(CCC1)C(=O)O Z1255468300 [0,1,0,1,0,0|1,0,0]=3 302 B11R1.1554 NCC1(CC(C1)(F)F)C(=O)O Z3016838111 [0,1,0,1,0,0|2,0,0]=4 303 B11R1.885 COC(=O)C1(CCC(C1)C)N Z3039443437 [0,1,0,1,0,0|0,0,0]=2 304 B11R1.1468 COC(=O)C1(CC(C1)(C)C)N Z3038761032 [0,1,0,1,0,0|0,0,0]=2 305 B11R1.733 N[C@@]1(C[C@H]1C(F)(F)F)C(=O)O Z3064089486 [0,1,0,1,0,0|2,0,0]=4 306 B11R2.554 CC1(C(=O)NC1C2CC2)C Z1203830456 [0,0,0,2,0,0|2,0,0]=4 307 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,0,0,2,0,0|0,0,0]=2 308 B11R2.746 N[C@@H]1CC[C@]2([C@@H]1C2)C(=O)O Z4500873137 [0,0,0,2,0,0|2,0,0]=4 309 B11R2.820 NC1(CC2CC1C2)C(=O)O Z4896413827 [0,0,0,2,0,0|0,0,0]=2 310 B11R2.1839 O=C(O)C12CCC(C1)CC2 Z1198162267 [0,0,0,2,0,0|1,0,0]=3 311 B11R2.1839 O=C(O)C12CCC(C1)CO2 Z3334129707 [0,0,0,2,0,0|1,0,0]=3 312 B11R2.1839 O=C(O)C12CCN(C1)CC2 Z2681277226 [0,0,0,2,0,0|2,0,0]=4 313 B11R2.2454 CC12CNC(C1)(C2)C(=O)O Z2517220205 [0,0,0,2,0,0|0,0,0]=2 314 B11R2.2454 O=C(O)C12CC(C1)(CO2)Cl Z5479974706 [0,0,0,2,0,0|2,0,0]=4 315 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [1,0,0,0,1,0|2,0,0]=4 316 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,0,0,0,1,0|1,0,0]=3 317 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,1,0|0,0,0]=2 318 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,0,0,0,1,0|1,0,0]=3 319 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,0,0,0,1,0|1,0,0]=3 320 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,0,0,0,1,0|0,0,0]=2 321 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,0,0,0,1,0|1,0,0]=3 322 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,0,0,0,1,0|1,0,0]=3 323 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,0,0,0,1,0|0,0,0]=2 324 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,0,0,0,1,0|0,0,0]=2 325 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,0,0,0,1,0|1,0,0]=3 326 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,0,0,0,1,0|1,0,0]=3 327 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,0,0,0,1,0|1,0,0]=3 328 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,0,0,0,1,0|1,0,0]=3 329 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,0,0,0,1,0|1,0,0]=3 330 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,0,0,0,1,0|1,0,0]=3 331 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,0,0,0,1,0|1,0,0]=3 332 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [1,0,0,0,0,1|0,0,1]=3 333 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [1,0,0,0,0,1|1,0,1]=4 334 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [1,0,0,0,0,1|0,0,0]=2 335 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [1,0,0,0,0,1|0,0,0]=2 336 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [1,0,0,0,0,1|1,0,0]=3 337 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [1,0,0,0,0,1|2,0,0]=4 338 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [1,0,0,0,0,1|0,0,0]=2 339 B9R0.53 CC(C)CC(C)CC(C)O Z1238571962 [1,0,0,0,0,1|1,0,1]=4 340 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [1,0,0,0,0,1|0,0,0]=2 341 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [1,0,0,0,0,1|1,0,0]=3 342 B11R0.202 CN(C)CCCC(C)(N)C(=O)O Z2418411247 [0,0,0,0,0,2|1,0,0]=3