0 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.30 CC(=O)OC\C=C\COC(C)=O Amb19958951 [0,0,0,0,0,0|4,0,0]=4 2 B11R0.30 CC(=O)SCCCCCC(O)=O Amb22337829 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.30 CC(=O)SC\C=C\CSC(C)=O Amb22337823 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.30 NC(=O)CCSSCCC(=O)N Amb2405304 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.30 O=C(Cl)CCSSCCC(=O)Cl Amb24090125 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.30 OC(=O)CC#CC#CCC(O)=O Amb24657133 [0,0,0,0,0,0|0,0,4]=4 7 B11R0.30 OC(=O)CCCCCNC(=O)C Amb1208026 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.30 OC(=O)CCNCCCC(=O)O Amb10606894 [0,0,0,0,0,0|1,0,1]=2 9 B11R0.30 OC(=O)CCSCCCC(=O)O Amb17501237 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.30 OC(=O)\C=C\C=CC#CC(O)=O Amb24650001 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.30 OC(=O)\C=C\C=C\C#CC(O)=O Amb25724898 [0,0,0,0,0,0|0,0,4]=4 12 B11R0.30 O[13C](=O)CC\C=C\CC[13C](=O)O Amb17618814 [0,0,0,0,0,0|0,0,0]=0 13 B11R0.30 [O-]C(=O)CCSSCCC([O-])=O Amb22338299 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.4 C=CCCC#CCCC(=O)O Amb16226811 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.4 OCCCSCCCC(=O)O Amb17502860 [1,0,0,0,0,0|1,0,2]=4 16 B12R0.42 N[C@@H](CCCCCC(O)=O)C(O)=O Amb17678794 [0,1,0,0,0,0|0,0,2]=3 17 B12R0.42 OC(=O)CCCCCC(C(=O)O)N Amb10807509 [0,1,0,0,0,0|0,0,2]=3 18 B12R0.44 CN(CCC(=O)O)CCCC(=O)O Amb17561253 [0,1,0,0,0,0|1,0,1]=3 19 B12R0.44 NC(=O)CCC(=O)NCCC(N)=O Amb19514767 [0,1,0,0,0,0|3,0,0]=4 20 B12R0.44 O=C(\C=C/C(=O)O)NCCC(=O)O Amb17608613 [0,1,0,0,0,0|1,0,2]=4 21 B12R0.44 OC(=O)CCC(=O)NCCC(O)=O Amb19060266 [0,1,0,0,0,0|1,0,0]=2 22 B12R0.44 OC(=O)CCNC(=O)\C=C\C(O)=O Amb18323811 [0,1,0,0,0,0|1,0,2]=4 23 B12R0.44 OC(=O)CSCC(=O)NCC(O)=O Amb24769216 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.105 OC(=O)CCCC1CCC(=O)N1 Amb18825449 [0,0,0,1,0,0|1,0,2]=4 25 B12R1.226 OC(=O)CCC1CC(=O)CCC1 Amb18647388 [0,0,0,1,0,0|1,0,2]=4 26 B12R1.226 OC(=O)CCC1CCCC(=O)N1 Amb18825448 [0,0,0,1,0,0|1,0,2]=4 27 B12R1.226 OC(=O)CCC1CCCC(=O)O1 Amb24739726 [0,0,0,1,0,0|0,0,2]=3 28 B12R1.226 OC(=O)CC[C@@H]1CC(=O)CCC1 Amb25210806 [0,0,0,1,0,0|1,0,2]=4 29 B12R1.226 Oc1[n]c(CCC(O)=O)cc[n]1 Amb18826808 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.226 Oc1c[n]cc(CCC(O)=O)c1 Amb24435210 [0,0,0,1,0,0|2,0,1]=4 31 B12R1.261 CC(=O)C1CC=CCC1C(C)=O Amb25322772 [0,0,0,1,0,0|2,0,0]=3 32 B12R1.261 CC(=O)C1CC=CCC1C(O)=O Amb25269557 [0,0,0,1,0,0|1,0,0]=2 33 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb23558931 [0,0,0,1,0,0|1,0,2]=4 34 B12R1.261 CC(=O)[C@H]1CC=CC[C@H]1C(C)=C Amb24582558 [0,0,0,1,0,0|3,0,0]=4 35 B12R1.261 CC(=O)[C@H]1CC=CC[C@H]1C(C)=O Amb25205451 [0,0,0,1,0,0|2,0,0]=3 36 B12R1.261 CC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb25210471 [0,0,0,1,0,0|1,0,0]=2 37 B12R1.261 CC(=O)[C@H]1CCCCC1C(O)=O Amb24423856 [0,0,0,1,0,0|1,0,2]=4 38 B12R1.261 CC(C)[C@H]1CC=CC[C@@H]1C(O)=O Amb24617259 [0,0,0,1,0,0|2,0,1]=4 39 B12R1.261 NC(=O)C1CCCC[C@H]1C(O)=O Amb25353526 [0,0,0,1,0,0|1,0,2]=4 40 B12R1.261 NC(=O)[C@@H]1CC=CC[C@H]1C(O)=O Amb22737175 [0,0,0,1,0,0|1,0,0]=2 41 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O Amb25225612 [0,0,0,1,0,0|1,0,2]=4 42 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb22737172 [0,0,0,1,0,0|1,0,2]=4 43 B12R1.261 NC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb24571676 [0,0,0,1,0,0|1,0,0]=2 44 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(O)=O Amb22737173 [0,0,0,1,0,0|1,0,2]=4 45 B12R1.261 O=C(Cl)[C@H]1CC=CC[C@H]1C(=O)Cl Amb24528268 [0,0,0,1,0,0|2,0,0]=3 46 B12R1.261 OC(=O)C1=C(CC=CC1)C(=O)O Amb17594192 [0,0,0,1,0,0|0,0,2]=3 47 B12R1.261 OC(=O)C1C=CC=CC1C(=O)O Amb17594193 [0,0,0,1,0,0|0,0,2]=3 48 B12R1.261 OC(=O)C1C=CCCC1C(=O)O Amb17594248 [0,0,0,1,0,0|0,0,2]=3 49 B12R1.261 OC(=O)C1CC=CCC1C(Cl)Cl Amb24561017 [0,0,0,1,0,0|2,0,1]=4 50 B12R1.261 OC(=O)C1CC=CC[C@@H]1C(O)=O Amb25702673 [0,0,0,1,0,0|0,0,0]=1 51 B12R1.261 OC(=O)C1CCCCC1C(=O)Cl Amb25189632 [0,0,0,1,0,0|1,0,2]=4 52 B12R1.261 OC(=O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,0,0|0,0,2]=3 53 B12R1.261 OC(=O)C1CCCC[C@H]1C(O)=O Amb25329514 [0,0,0,1,0,0|0,0,2]=3 54 B12R1.261 OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O Amb2426049 [0,0,0,1,0,0|0,0,0]=1 55 B12R1.261 OC(=O)[C@@H]1CC=CC[C@H]1C(=O)O Amb10606861 [0,0,0,1,0,0|0,0,0]=1 56 B12R1.261 OC(=O)[C@@H]1CCSC[C@@H]1C(O)=O Amb25269469 [0,0,0,1,0,0|1,0,1]=3 57 B12R1.261 OC(=O)[C@@H]1NCCC[C@@H]1C(O)=O Amb22800779 [0,0,0,1,0,0|1,0,2]=4 58 B12R1.261 OC(=O)[C@H]1C=CCC[C@@H]1C(O)=O Amb25371612 [0,0,0,1,0,0|0,0,2]=3 59 B12R1.261 OC(=O)[C@H]1CCC=C[C@H]1C(O)=O Amb17673651 [0,0,0,1,0,0|0,0,2]=3 60 B12R1.261 OC(=O)[C@H]1CCSC[C@@H]1C(O)=O Amb24652578 [0,0,0,1,0,0|1,0,1]=3 61 B12R1.392 CC(=O)C1CNCC1CC(O)=O Amb25674207 [0,0,0,1,0,0|2,0,1]=4 62 B12R1.392 CC(=O)CC1C=CCN1C(C)=O Amb24513630 [0,0,0,1,0,0|3,0,0]=4 63 B12R1.392 CC(=O)CC1CCCC1C(O)=O Amb25321925 [0,0,0,1,0,0|1,0,2]=4 64 B12R1.392 NC(=O)C1CCCC1CC(O)=O Amb24733998 [0,0,0,1,0,0|1,0,2]=4 65 B12R1.392 NC(=O)CC1CCCC1C(O)=O Amb24356704 [0,0,0,1,0,0|1,0,2]=4 66 B12R1.392 NC(=O)CC1OCCC1C(O)=O Amb24452399 [0,0,0,1,0,0|2,0,1]=4 67 B12R1.392 NC(=O)C[C@@H]1CCC[C@H]1C(O)=O Amb25233434 [0,0,0,1,0,0|1,0,2]=4 68 B12R1.392 NC(=O)[C@@H]1CCC[C@H]1CC(O)=O Amb24693984 [0,0,0,1,0,0|1,0,2]=4 69 B12R1.392 NC(=O)[C@H]1CCC[C@H]1CC(O)=O Amb25211235 [0,0,0,1,0,0|1,0,2]=4 70 B12R1.392 OC(=O)CC1CCNC1C(O)=O Amb18127007 [0,0,0,1,0,0|1,0,2]=4 71 B12R1.392 OC(=O)CC1CNCC1C(O)=O Amb25288102 [0,0,0,1,0,0|1,0,1]=3 72 B12R1.392 OC(=O)CN1CCCC1C(O)=O Amb24537597 [0,0,0,1,0,0|1,0,2]=4 73 B12R1.392 OC(=O)CN1CCC[C@H]1C(O)=O Amb24513497 [0,0,0,1,0,0|1,0,2]=4 74 B12R1.392 OC(=O)CN1CCC[C@H]1C(O)=O Amb25834004 [0,0,0,1,0,0|1,0,2]=4 75 B12R1.392 OC(=O)C[C@@H]1CCC[C@@H]1C(O)=O Amb25348218 [0,0,0,1,0,0|0,0,2]=3 76 B12R1.392 OC(=O)C[C@H]1CCC[C@H]1C(O)=O Amb24602457 [0,0,0,1,0,0|0,0,2]=3 77 B12R1.392 OC(=O)C[C@H]1CCNC1C(O)=O Amb25069554 [0,0,0,1,0,0|1,0,2]=4 78 B12R1.392 OC(=O)C[C@H]1CCN[C@@H]1C(O)=O Amb25326507 [0,0,0,1,0,0|1,0,2]=4 79 B12R1.392 OC(=O)c1[nH]ccc1CC(O)=O Amb18826220 [0,0,0,1,0,0|1,0,2]=4 80 B12R1.392 OC(=O)c1[s]ccc1CC(O)=O Amb18649246 [0,0,0,1,0,0|1,0,2]=4 81 B12R1.392 OC(=O)c1occc1CC(O)=O Amb18198948 [0,0,0,1,0,0|1,0,2]=4 82 B12R1.874 OC(=O)CC1CC(=O)CCCC1 Amb25708403 [0,0,0,1,0,0|1,0,2]=4 83 B12R1.874 OC(=O)C[C@H]1CC(=O)CCCC1 Amb24471815 [0,0,0,1,0,0|1,0,2]=4 84 B12R1.1011 OC(=O)C1CC(=O)CCCCC1 Amb25187509 [0,0,0,1,0,0|1,0,2]=4 85 B12R1.1011 OC(=O)[C@@H]1CSSCCC(=O)N1 Amb24496033 [0,0,0,1,0,0|3,0,0]=4 86 B12R1.1339 OC(=O)C[C@@H]1CN[C@H]1CC(O)=O Amb22388562 [0,0,0,1,0,0|1,0,1]=3 87 B10R0.97 C=C(F)CCCCCC(O)=O Amb22641493 [0,0,0,0,1,0|2,0,1]=4 88 B10R0.97 CC(=O)CCC#CCC(O)=O Amb24426191 [0,0,0,0,1,0|1,0,2]=4 89 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [0,0,0,0,1,0|2,0,1]=4 90 B10R0.97 CC(O)CCCCCC(O)=O Amb24117232 [0,0,0,0,1,0|1,0,2]=4 91 B10R0.97 ClC(=O)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,1,0|2,0,1]=4 92 B10R0.97 NC(=O)CCN\C=C\C(O)=O Amb25381541 [0,0,0,0,1,0|2,0,1]=4 93 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [0,0,0,0,1,0|2,0,1]=4 94 B10R0.97 OC(=O)CCCSCC(=O)O Amb17501146 [0,0,0,0,1,0|1,0,1]=3 95 B10R0.97 OC(=O)CCOCCC(O)=O Amb24057717 [0,0,0,0,1,0|1,0,0]=2 96 B10R0.97 OC(=O)CSCSCC(=O)O Amb1144944 [0,0,0,0,1,0|2,0,1]=4 97 B10R0.97 [O-][N+](=O)CCCCCC(O)=O Amb22347935 [0,0,0,0,1,0|1,0,2]=4 98 B12R0.268 OC(=O)CCCCCCCC(O)=O Amb22336282 [0,0,0,0,0,1|0,0,2]=3 99 B12R0.268 OC(=O)CNCCCNCC(O)=O Amb22733453 [0,0,0,0,0,1|1,0,2]=4 100 B12R0.268 OC(=O)CNCCCNCC(O)=O Amb24080859 [0,0,0,0,0,1|1,0,2]=4 101 B9R0.2 C#CC\C=C\CCC(O)=O Amb25264926 [2,0,0,0,0,0|0,0,2]=4 102 B9R0.2 C=CCC\C=C\CC(O)=O Amb18643551 [2,0,0,0,0,0|1,0,0]=3 103 B9R0.2 C=CC\C=C\CCC(O)=O Amb18643540 [2,0,0,0,0,0|0,0,1]=3 104 B9R0.2 CC(=C)CC\C=C\CCO Amb24422820 [2,0,0,0,0,0|2,0,0]=4 105 B9R0.2 CC(=O)CCCCCC=O Amb25290329 [2,0,0,0,0,0|1,0,1]=4 106 B9R0.2 CC(=O)CC\C=C\CC=C Amb25245400 [2,0,0,0,0,0|1,0,1]=4 107 B9R0.2 CC(=O)CC\C=C\CCO Amb24587265 [2,0,0,0,0,0|1,0,0]=3 108 B9R0.2 CCC\C=C/CCC(N)=O Amb24400971 [2,0,0,0,0,0|1,0,1]=4 109 B9R0.2 CCC\C=C\CCC(O)=O Amb25378821 [2,0,0,0,0,0|0,0,1]=3 110 B9R0.2 C\C=C\C=C\CCC(O)=O Amb18643576 [2,0,0,0,0,0|1,0,1]=4 111 B9R0.2 C\C=C\CC=CCC(O)=O Amb25076809 [2,0,0,0,0,0|1,0,1]=4 112 B9R0.2 OC(=O)C\C=C/CCC=O Amb24480684 [2,0,0,0,0,0|0,0,0]=2 113 B9R0.2 OC(=O)C\C=C\CCC=O Amb18643818 [2,0,0,0,0,0|0,0,0]=2 114 B9R0.2 OC(=O)\C=C\CCCC=O Amb25253849 [2,0,0,0,0,0|0,0,2]=4 115 B9R0.2 OCCC#CCCC(O)=O Amb25716100 [2,0,0,0,0,0|0,0,2]=4 116 B9R0.2 OCCCOCCC(O)=O Amb24476864 [2,0,0,0,0,0|1,0,1]=4 117 B9R0.2 OCCSSCCC(=O)O Amb17615366 [2,0,0,0,0,0|2,0,0]=4 118 B9R0.2 OC\C=C\CCCC(O)=O Amb24568323 [2,0,0,0,0,0|0,0,2]=4 119 B9R0.2 ONCCCCCC(O)=O Amb25354224 [2,0,0,0,0,0|1,0,1]=4 120 B9R0.45 C=CCC\C=C\CCC=C Amb22052647 [2,0,0,0,0,0|2,0,0]=4 121 B9R0.45 C=CCC\C=C\CCC=O Amb25770517 [2,0,0,0,0,0|1,0,0]=3 122 B9R0.45 CCCC\C=C/CCC=O Amb24477003 [2,0,0,0,0,0|1,0,1]=4 123 B9R0.45 C\C=C\C\C=C/CCC=O Amb25834199 [2,0,0,0,0,0|1,0,1]=4 124 B9R0.45 C\C=C\C\C=C\CCC=O Amb18643309 [2,0,0,0,0,0|1,0,1]=4 125 B9R0.45 N#CCC\C=C/CCC=O Amb18643157 [2,0,0,0,0,0|1,0,1]=4 126 B9R0.45 N#CCC\C=C\CCC=O Amb24505295 [2,0,0,0,0,0|1,0,1]=4 127 B9R0.45 O=CCCC#CCCC=O Amb24355541 [2,0,0,0,0,0|0,0,2]=4 128 B9R0.45 O=CCCSSCCC=O Amb25249688 [2,0,0,0,0,0|2,0,0]=4 129 B11R0.2 CCCC\C=C\C(O)CC(O)=O Amb22831931 [1,1,0,0,0,0|1,0,1]=4 130 B11R0.148 CCCCC=CCCCC(O)=O Amb24062906 [1,1,0,0,0,0|1,0,1]=4 131 B11R0.148 CCCCCC=CCCC(O)=O Amb24079160 [1,1,0,0,0,0|1,0,1]=4 132 B11R0.148 CCCCC\C=C\CCC(=O)O Amb17594266 [1,1,0,0,0,0|1,0,1]=4 133 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [1,1,0,0,0,0|0,0,2]=4 134 B11R0.6 CC(=O)CC(=O)CCCC(O)=O Amb22347933 [0,1,0,0,1,0|1,0,1]=4 135 B11R0.29 CC(=O)C(C)CCCCC(O)=O Amb20668227 [0,1,0,0,1,0|1,0,1]=4 136 B11R0.29 NC(CSCCC(O)=O)C(O)=O Amb22734793 [0,1,0,0,1,0|1,0,0]=3 137 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [0,1,0,0,1,0|0,0,1]=3 138 B11R0.29 OC(=O)CCCCC(C(=O)O)C Amb10844066 [0,1,0,0,1,0|0,0,1]=3 139 B11R0.29 OC(=O)CCCSC(C(=O)O)C Amb17503620 [0,1,0,0,1,0|1,0,1]=4 140 B11R0.29 OC(=O)CCSC[C@@H](C(=O)O)N Amb17610546 [0,1,0,0,1,0|1,0,0]=3 141 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,1,0,0,1,0|1,0,0]=3 142 B11R0.85 CN(CCC(O)=O)CCC(O)=O Amb24117217 [0,1,0,0,1,0|1,0,0]=3 143 B11R0.85 OC(=O)CCC(=O)NCC(O)=O Amb17940408 [0,1,0,0,1,0|1,0,0]=3 144 B11R0.85 OC(=O)\C=C\C(=O)NCC(O)=O Amb19006231 [0,1,0,0,1,0|1,0,1]=4 145 B13R0.180 OC(=O)CNCCCC[C@@H](C(=O)O)N Amb10976141 [0,1,0,0,0,1|0,0,2]=4 146 B13R0.202 COC(=O)CCCCCCCC(=O)O Amb2099653 [0,1,0,0,0,1|0,0,2]=4 147 B13R0.51 C=C(CNC(=O)CCC(O)=O)C(O)=O Amb20671612 [0,2,0,0,0,0|1,0,1]=4 148 B13R0.51 O=C(CCC(C(=O)O)N)NCC(=O)O Amb17595427 [0,2,0,0,0,0|1,0,1]=4 149 B13R0.353 CC(C\C=C\CC(C)C(O)=O)C(O)=O Amb22501225 [0,2,0,0,0,0|0,0,0]=2 150 B13R0.353 NC(C(=O)O)CCSCC(C(=O)O)N Amb2099550 [0,2,0,0,0,0|1,0,1]=4 151 B13R0.353 NC(C(=O)O)CSSCC(C(=O)O)N Amb1152980 [0,2,0,0,0,0|2,0,0]=4 152 B13R0.353 NC(C(=O)O)CSSC[C@@H](C(=O)O)N Amb16232227 [0,2,0,0,0,0|2,0,0]=4 153 B13R0.353 NC(C(=O)O)C\C=C\CC(C(=O)O)N Amb1054833 [0,2,0,0,0,0|0,0,0]=2 154 B13R0.353 NC(CSSCC(N)C(O)=O)C(O)=O Amb22352084 [0,2,0,0,0,0|2,0,0]=4 155 B13R0.353 NC(CSSC[C@@H](N)C(O)=O)C(O)=O Amb17678827 [0,2,0,0,0,0|2,0,0]=4 156 B13R0.353 N[C@@H](C(=O)O)CSSC[C@H](C(=O)O)N Amb10072219 [0,2,0,0,0,0|2,0,0]=4 157 B13R0.353 N[C@@H](CSCC[C@@H](N)C(O)=O)C(O)=O Amb19130352 [0,2,0,0,0,0|1,0,1]=4 158 B13R0.353 N[C@@H](CSSCC(N)C(O)=O)C(O)=O Amb22748809 [0,2,0,0,0,0|2,0,0]=4 159 B13R0.353 N[C@@H](CSSC[C@@H](N)C(O)=O)C(O)=O Amb23442011 [0,2,0,0,0,0|2,0,0]=4 160 B13R0.353 N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O Amb22168479 [0,2,0,0,0,0|2,0,0]=4 161 B13R0.353 N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O Amb22799683 [0,2,0,0,0,0|2,0,0]=4 162 B13R0.353 N[C@@H](CSSC[C@H](N)[13C](O)=O)[13C](O)=O Amb22350378 [0,2,0,0,0,0|2,0,0]=4 163 B13R0.353 N[C@@H](C[Se][Se]CC(N)C(O)=O)C(O)=O Amb22800420 [0,2,0,0,0,0|2,0,0]=4 164 B13R0.353 [15NH2][13C@H]([13C](=O)O)[13CH2]SS[13CH2][13C@@H]([13C](=O)O)[15NH2] Amb17611523 [0,2,0,0,0,0|2,0,0]=4 165 B13R0.444 CC(CN(C)CCCC(O)=O)C(O)=O Amb18616918 [0,2,0,0,0,0|1,0,1]=4 166 B13R0.349 CN(CCC(O)=O)C(=O)CCC(O)=O Amb25387583 [0,2,0,0,0,0|1,0,0]=3 167 B13R0.349 N[C@@H](CCC(O)=O)C(=O)NCC(O)=O Amb22799750 [0,2,0,0,0,0|1,0,1]=4 168 B13R0.1157 CCN(CCCC(O)=O)CCC(O)=O Amb18101162 [0,2,0,0,0,0|1,0,1]=4 169 B13R0.1403 N[C@@H](CC(O)=O)C(=O)NCCC(O)=O Amb22801718 [0,2,0,0,0,0|1,0,0]=3 170 B13R0.201 COC(=O)CCSSCCC(=O)OC Amb15691617 [0,2,0,0,0,0|2,0,0]=4 171 B13R0.76 CC(CC(O)=O)SSC(C)CC(O)=O Amb22491204 [0,2,0,0,0,0|2,0,0]=4 172 B13R0.76 C[C@@H](CC(O)=O)SS[C@@H](C)CC(O)=O Amb22748719 [0,2,0,0,0,0|2,0,0]=4 173 B11R1.24 C=C1CC(CCC=O)=CCC1 Amb18125168 [1,0,0,1,0,0|2,0,0]=4 174 B11R1.24 O=C1CCCC(CCC=O)=C1 Amb18644516 [1,0,0,1,0,0|1,0,1]=4 175 B11R1.27 O=C1CCC(CCCC=O)=C1 Amb18644515 [1,0,0,1,0,0|1,0,1]=4 176 B11R1.27 O=C1CC\C(=C/CCC=O)\O1 Amb25129029 [1,0,0,1,0,0|0,0,0]=2 177 B11R1.27 O=C1CC\C(=C\CCC=O)\O1 Amb24567947 [1,0,0,1,0,0|0,0,0]=2 178 B11R1.27 O=CCCCC1CCC(=O)O1 Amb25385739 [1,0,0,1,0,0|0,0,2]=4 179 B11R1.53 CCC1CC=CCC1C(O)=O Amb25700917 [1,0,0,1,0,0|1,0,1]=4 180 B11R1.53 OC(=O)C1CC=CCC1CCl Amb24724859 [1,0,0,1,0,0|1,0,1]=4 181 B11R1.53 OC(=O)C1CCCCC1C=O Amb24442969 [1,0,0,1,0,0|0,0,2]=4 182 B11R1.53 OC(=O)[C@H]1CCCCC1C=O Amb24563437 [1,0,0,1,0,0|0,0,2]=4 183 B11R1.53 OC(=O)[C@H]1CCCC[C@@H]1C=O Amb25176135 [1,0,0,1,0,0|0,0,2]=4 184 B11R1.53 OC(=O)[C@H]1CCCC[C@H]1C=O Amb25686106 [1,0,0,1,0,0|0,0,2]=4 185 B11R1.53 OC[C@H]1CC=CC[C@@H]1C(O)=O Amb24602402 [1,0,0,1,0,0|0,0,1]=3 186 B11R1.53 OC[C@H]1CC=CC[C@H]1C(O)=O Amb25211261 [1,0,0,1,0,0|0,0,1]=3 187 B11R1.53 [O-][N+](=O)C1CC=CCC1C=O Amb24550191 [1,0,0,1,0,0|1,0,1]=4 188 B11R1.53 [O-][N+](=O)[C@@H]1CC=CC[C@H]1C=O Amb25231313 [1,0,0,1,0,0|1,0,1]=4 189 B11R1.57 C=C[C@@H]1CC=C[C@@H]1CC(O)=O Amb24580371 [1,0,0,1,0,0|1,0,0]=3 190 B11R1.57 CC(=O)CC1C=CCC1C=C Amb24378224 [1,0,0,1,0,0|2,0,0]=4 191 B11R1.57 OC(=O)CC1CCCC1C=O Amb18644793 [1,0,0,1,0,0|0,0,2]=4 192 B11R1.57 OC(=O)CC1CCC[C@H]1C=O Amb25772836 [1,0,0,1,0,0|0,0,2]=4 193 B11R1.57 [O-]C(=O)C[C@H]1C=CC[C@H]1CO Amb24632519 [1,0,0,1,0,0|0,0,2]=4 194 B11R1.86 OC(=O)CC1=CCCCC1=O Amb18125686 [1,0,0,1,0,0|0,0,2]=4 195 B11R1.86 OC(=O)CC1=COCCC1=O Amb24106430 [1,0,0,1,0,0|1,0,1]=4 196 B11R1.86 OC(=O)CC1CCCCC1=O Amb18125947 [1,0,0,1,0,0|0,0,2]=4 197 B11R1.86 OC(=O)CC1CNCCC1=O Amb24443588 [1,0,0,1,0,0|1,0,1]=4 198 B11R1.86 OC(=O)CC1COCCC1=O Amb18199923 [1,0,0,1,0,0|1,0,1]=4 199 B11R1.86 OC(=O)CC1CSCCC1=O Amb18197570 [1,0,0,1,0,0|1,0,1]=4 200 B11R1.86 OC(=O)CC1OCCCC1=O Amb18199925 [1,0,0,1,0,0|1,0,1]=4 201 B11R1.86 OC(=O)CN1C=CSCC1=O Amb17205153 [1,0,0,1,0,0|2,0,0]=4 202 B11R1.90 CC(=C)CCC1=CCCC1=O Amb24509594 [1,0,0,1,0,0|2,0,0]=4 203 B11R1.90 CC(=O)OCC1=CCCC1=O Amb25151453 [1,0,0,1,0,0|2,0,0]=4 204 B11R1.90 CC=1CCCC1CCC(O)=O Amb24373821 [1,0,0,1,0,0|1,0,1]=4 205 B11R1.90 O=C1CCC=C1CCC(=O)Cl Amb24372622 [1,0,0,1,0,0|1,0,0]=3 206 B11R1.90 OC(=O)CCC1=CCCC1=O Amb18125691 [1,0,0,1,0,0|0,0,0]=2 207 B11R1.90 OC(=O)CCC1CCCC1=O Amb17400002 [1,0,0,1,0,0|0,0,2]=4 208 B11R1.90 OC(=O)CCC1NCCC1=O Amb22536281 [1,0,0,1,0,0|1,0,1]=4 209 B11R1.90 OC(=O)CCC1SCCC1=O Amb24365973 [1,0,0,1,0,0|1,0,1]=4 210 B11R1.90 OC(=O)CCN1CCCC1=O Amb1138316 [1,0,0,1,0,0|1,0,1]=4 211 B11R1.91 OC(=O)CCC1=NCCCO1 Amb25252999 [1,0,0,1,0,0|1,0,1]=4 212 B11R1.91 OC(=O)CCC=1CCCCC1 Amb25775024 [1,0,0,1,0,0|1,0,1]=4 213 B11R1.91 OC(=O)CCC=1COCCC1 Amb25138754 [1,0,0,1,0,0|2,0,0]=4 214 B11R1.172 OC(=O)CCC=C1CCCC1 Amb24658603 [1,0,0,1,0,0|1,0,1]=4 215 B11R1.193 N#CCC1C=CCC1C(O)=O Amb24381418 [1,0,0,1,0,0|1,0,1]=4 216 B11R1.193 N#CC[C@@H]1C=CC[C@@H]1C(O)=O Amb25200974 [1,0,0,1,0,0|1,0,1]=4 217 B11R1.706 OC(=O)C1CC=CCCCC1 Amb25774993 [1,0,0,1,0,0|1,0,1]=4 218 B11R1.706 OC(=O)C1CC=CCCCN1 Amb25779359 [1,0,0,1,0,0|1,0,1]=4 219 B11R1.742 OC(=O)C[C@H]1CCCCC=C1 Amb25798948 [1,0,0,1,0,0|1,0,1]=4 220 B11R1.75 CC(=O)CCC1=CCC(=O)O1 Amb25059677 [0,0,0,1,1,0|1,0,0]=3 221 B11R1.75 Cc1[n]cc(CCC(O)=O)o1 Amb18830921 [0,0,0,1,1,0|2,0,0]=4 222 B11R1.75 OC(=O)CCC1=CNC(=O)N1 Amb19550071 [0,0,0,1,1,0|2,0,0]=4 223 B11R1.75 OC(=O)CCC1=CSC(=O)N1 Amb18544048 [0,0,0,1,1,0|2,0,0]=4 224 B11R1.75 OC(=O)CCC1CC(=O)CC1 Amb18125974 [0,0,0,1,1,0|1,0,1]=4 225 B11R1.75 OC(=O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,1,0|0,0,1]=3 226 B11R1.75 OC(=O)CCC1CCC(=O)S1 Amb24487846 [0,0,0,1,1,0|0,1,1]=4 227 B11R1.75 OC(=O)CCC=1C=NC(=O)N1 Amb24390389 [0,0,0,1,1,0|2,0,0]=4 228 B11R1.75 OC(=O)CC[C@H]1CCC(=O)O1 Amb24487947 [0,0,0,1,1,0|0,0,1]=3 229 B11R1.75 OC(=O)CCc1c[nH]c(=O)[nH]1 Amb1922109 [0,0,0,1,1,0|2,0,0]=4 230 B11R1.75 OC(=O)CCc1ccc(S)o1 Amb24519112 [0,0,0,1,1,0|0,1,1]=4 231 B11R1.144 OC1CC=CCCC(=O)OC1 Amb24735060 [0,0,0,1,1,0|1,0,1]=4 232 B11R1.157 CC(O)CC1C=CCC(=O)O1 Amb25152202 [0,0,0,1,1,0|1,0,1]=4 233 B11R1.157 C[C@@H](O)C[C@H]1C=CCC(=O)O1 Amb25211741 [0,0,0,1,1,0|1,0,1]=4 234 B11R1.157 C[C@H](O)C[C@@H]1C=CCC(=O)O1 Amb25254522 [0,0,0,1,1,0|1,0,1]=4 235 B11R1.157 C[C@H]1CC=C[C@@H](CC(O)=O)O1 Amb24693907 [0,0,0,1,1,0|1,0,1]=4 236 B11R1.157 OC(=O)CC1=CSCC(=O)N1 Amb17112127 [0,0,0,1,1,0|2,0,0]=4 237 B11R1.157 OC(=O)CC1CCCC(=O)N1 Amb18200018 [0,0,0,1,1,0|1,0,1]=4 238 B11R1.157 OC(=O)CC1CCCC(=O)O1 Amb25702813 [0,0,0,1,1,0|0,0,1]=3 239 B11R1.157 OC(=O)CC=1CCCC(=O)C1 Amb25322003 [0,0,0,1,1,0|1,0,1]=4 240 B11R1.157 OC(=O)C[C@H]1CCCC(=O)O1 Amb24383646 [0,0,0,1,1,0|0,0,1]=3 241 B11R1.157 OC1CC(CC(O)=O)C=CC1 Amb24484705 [0,0,0,1,1,0|1,0,1]=4 242 B11R1.178 CC(=C)C1C=CCC1C(O)=O Amb18125406 [0,0,0,1,1,0|2,0,0]=4 243 B11R1.178 CC(=C)[C@H]1C=CC[C@H]1C(O)=O Amb24608878 [0,0,0,1,1,0|2,0,0]=4 244 B11R1.178 CC(=O)N1CC=C[C@H]1C(O)=O Amb24710131 [0,0,0,1,1,0|2,0,0]=4 245 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(O)=O Amb23558958 [0,0,0,1,1,0|1,0,1]=4 246 B11R1.178 NC(=O)C1CCCC1C(O)=O Amb25714211 [0,0,0,1,1,0|1,0,1]=4 247 B11R1.178 OC(=O)C1=CCCC1C(O)=O Amb24358007 [0,0,0,1,1,0|0,0,2]=4 248 B11R1.178 OC(=O)C1CCC[C@@H]1C(O)=O Amb25172821 [0,0,0,1,1,0|0,0,1]=3 249 B11R1.178 OC(=O)C1CNCC1C(O)=O Amb22495455 [0,0,0,1,1,0|1,0,0]=3 250 B11R1.178 OC(=O)C1COCC1C(O)=O Amb23571987 [0,0,0,1,1,0|1,0,0]=3 251 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb22741053 [0,0,0,1,1,0|1,0,1]=4 252 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb24060966 [0,0,0,1,1,0|1,0,1]=4 253 B11R1.178 OC(=O)N1CCCC1C(O)=O Amb24060622 [0,0,0,1,1,0|1,0,1]=4 254 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)Cl Amb24712700 [0,0,0,1,1,0|1,0,1]=4 255 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb13890829 [0,0,0,1,1,0|0,0,1]=3 256 B11R1.178 OC(=O)[C@@H]1CNC[C@H]1C(O)=O Amb25200351 [0,0,0,1,1,0|1,0,0]=3 257 B11R1.178 OC(=O)[C@H]1CC=C[C@@H]1C(O)=O Amb24551403 [0,0,0,1,1,0|0,0,0]=2 258 B11R1.178 OC(=O)[C@H]1CCC[C@@H]1C(O)=O Amb25173035 [0,0,0,1,1,0|0,0,1]=3 259 B11R1.178 OC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25322060 [0,0,0,1,1,0|1,0,0]=3 260 B11R1.178 [O-][N+](=O)[C@@H]1C=CC[C@@H]1C(O)=O Amb24565091 [0,0,0,1,1,0|1,0,1]=4 261 B11R1.234 OC(=O)CC1C=CCS1(=O)=O Amb25109185 [0,0,0,1,1,0|1,0,1]=4 262 B11R1.497 O=C1CCCCC(C1)C(=O)O Amb10603800 [0,0,0,1,1,0|1,0,1]=4 263 B11R1.497 OC(=O)C1CCCCC(=O)N1 Amb19515429 [0,0,0,1,1,0|1,0,1]=4 264 B11R1.497 OC(=O)C1COCCC(=O)N1 Amb24417172 [0,0,0,1,1,0|2,0,0]=4 265 B11R1.497 OC(=O)C1CSCCC(=O)N1 Amb21937059 [0,0,0,1,1,0|2,0,0]=4 266 B11R1.497 OC(=O)[C@@H]1CSCCC(=O)N1 Amb24469319 [0,0,0,1,1,0|2,0,0]=4 267 B11R1.708 OC(=O)CC1CCC1C(O)=O Amb25758770 [0,0,0,1,1,0|0,0,1]=3 268 B11R1.708 OC(=O)C[C@@H]1CC[C@H]1C(O)=O Amb24612096 [0,0,0,1,1,0|0,0,1]=3 269 B11R1.708 OC(=O)C[C@@H]1CN[C@H]1C(O)=O Amb19131121 [0,0,0,1,1,0|1,0,1]=4 270 B11R1.711 CC(=O)CCC1CC1C(O)=O Amb25384585 [0,0,0,1,1,0|1,0,1]=4 271 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(O)=O Amb25384133 [0,0,0,1,1,0|1,0,1]=4 272 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(O)=O Amb25383057 [0,0,0,1,1,0|1,0,1]=4 273 B13R1.589 NC(=O)CC1CC=CCC1C(N)=O Amb24711565 [0,0,0,1,0,1|2,0,0]=4 274 B13R1.589 OC(=O)CC1C=CCSC1C(O)=O Amb18653925 [0,0,0,1,0,1|0,0,0]=2 275 B13R1.589 OC(=O)CC1CCCCC1C(O)=O Amb18649266 [0,0,0,1,0,1|0,0,2]=4 276 B13R1.589 OC(=O)CC1CCCNC1C(O)=O Amb24453346 [0,0,0,1,0,1|0,0,2]=4 277 B13R1.589 OC(=O)CN1CCCCC1C(=O)O Amb17561089 [0,0,0,1,0,1|0,0,2]=4 278 B13R1.589 OC(=O)CN1CCCCC1C(O)=O Amb25052028 [0,0,0,1,0,1|0,0,2]=4 279 B13R1.589 OC(=O)CN1CCNCC1C(O)=O Amb18191119 [0,0,0,1,0,1|1,0,1]=4 280 B13R1.589 OC(=O)C[C@H]1CCCC[C@@H]1C(O)=O Amb24563366 [0,0,0,1,0,1|0,0,2]=4 281 B13R1.589 OC(=O)C[C@H]1CCCN[C@@H]1C(O)=O Amb25241516 [0,0,0,1,0,1|0,0,2]=4 282 B13R1.1082 OC(=O)C1CCCCCC1C(O)=O Amb25719377 [0,0,0,1,0,1|0,0,2]=4 283 B13R1.1082 OC(=O)[C@@H]1CCCCC[C@H]1C(O)=O Amb25327872 [0,0,0,1,0,1|0,0,2]=4 284 B13R1.1082 OC(=O)[C@H]1CCCCC[C@@H]1C(O)=O Amb25366546 [0,0,0,1,0,1|0,0,2]=4 285 B13R1.1082 OC(=O)[C@H]1CCCCC[C@H]1C(O)=O Amb22356761 [0,0,0,1,0,1|0,0,2]=4 286 B13R1.3773 CC(O)CC1CC=CCCC(=O)O1 Amb24414861 [0,0,0,1,0,1|1,0,1]=4 287 B13R1.350 NC(C1CCCC1C(O)=O)C(O)=O Amb24558385 [0,1,0,1,0,0|0,0,2]=4 288 B13R1.587 CC(=O)O[C@H]1C[C@@H](CC=C1)C(O)=O Amb24519525 [0,1,0,1,0,0|2,0,0]=4 289 B13R1.587 OC(=O)CC1CC(CCC1)C(O)=O Amb25774517 [0,1,0,1,0,0|0,0,2]=4 290 B13R1.587 OC(=O)CC1CCCC(N1)C(O)=O Amb25775013 [0,1,0,1,0,0|0,0,2]=4 291 B13R1.587 OC(=O)C[C@@H]1C[C@@H](CCC1)C(O)=O Amb25241205 [0,1,0,1,0,0|0,0,2]=4 292 B13R1.587 OC(=O)C[C@H]1C[C@H](CC=C1)C(O)=O Amb24617863 [0,1,0,1,0,0|0,0,0]=2 293 B13R1.587 OC(=O)C[C@H]1C[C@H](CCC1)C(O)=O Amb24711265 [0,1,0,1,0,0|0,0,2]=4 294 B13R1.1060 OC(=O)C1CC(C=CC=C1)C(O)=O Amb25095785 [0,1,0,1,0,0|0,0,2]=4 295 B13R1.1060 OC(=O)C1CC(CCCC1)C(O)=O Amb24693922 [0,1,0,1,0,0|0,0,2]=4 296 B13R1.1060 OC(=O)C1CCSCC(N1)C(O)=O Amb24435007 [0,1,0,1,0,0|1,0,1]=4 297 B13R1.1091 CC(=O)C1CC=CCC1(C)C(O)=O Amb18129049 [0,1,0,1,0,0|1,0,0]=3 298 B13R1.1091 CC1(CCC=CC1C(O)=O)C(O)=O Amb24664053 [0,1,0,1,0,0|0,0,2]=4 299 B13R1.1091 CC1(CCCCC1C(O)=O)C(O)=O Amb18129593 [0,1,0,1,0,0|0,0,2]=4 300 B13R1.1091 C[C@@]1(CC=CC[C@H]1C(O)=O)C(O)=O Amb22356812 [0,1,0,1,0,0|0,0,0]=2 301 B13R1.1091 C[C@@]1(CCC=C[C@@H]1C(O)=O)C(O)=O Amb25232614 [0,1,0,1,0,0|0,0,2]=4 302 B13R1.1091 C[C@]1(CC=CC[C@@H]1C(O)=O)C(O)=O Amb24651033 [0,1,0,1,0,0|0,0,0]=2 303 B13R1.1091 C[C@]1(CC=CC[C@H]1C(O)=O)C(O)=O Amb25201500 [0,1,0,1,0,0|0,0,0]=2 304 B13R1.1091 OC(=O)C1(O)CCCCC1C(O)=O Amb25257947 [0,1,0,1,0,0|0,0,2]=4 305 B13R1.2025 CC1(CCCC1CC(O)=O)C(O)=O Amb18649264 [0,1,0,1,0,0|0,0,2]=4 306 B13R1.2025 C[C@@]1(CCC[C@H]1CC(O)=O)C(O)=O Amb24540363 [0,1,0,1,0,0|0,0,2]=4 307 B13R1.129 OC(=O)CNC(=O)C1CCC(=O)O1 Amb17883721 [0,1,0,1,0,0|1,0,1]=4 308 B13R1.165 CC(=O)[C@@H]1CC(C)=CC[C@H]1C(C)=O Amb24575279 [0,1,0,1,0,0|2,0,0]=4 309 B13R1.165 CC(=O)[C@H]1CCC(=O)C[C@@H]1C(O)=O Amb24661065 [0,1,0,1,0,0|1,0,1]=4 310 B13R1.165 CC1CC(C(C=C1)C(O)=O)C(O)=O Amb25756447 [0,1,0,1,0,0|0,0,2]=4 311 B13R1.165 CC=1C[C@@H]([C@@H](CC1)C(O)=O)C(O)=O Amb25238310 [0,1,0,1,0,0|0,0,0]=2 312 B13R1.165 CC=1C[C@@H]([C@H](CC1)C(O)=O)C(O)=O Amb25110638 [0,1,0,1,0,0|0,0,0]=2 313 B13R1.165 CC=1C[C@H]([C@@H](CC1)C(O)=O)C(O)=O Amb24514938 [0,1,0,1,0,0|0,0,0]=2 314 B13R1.165 CN1CC(C(CC1)C(O)=O)C(O)=O Amb22751805 [0,1,0,1,0,0|1,0,1]=4 315 B13R1.165 CN1CC(C(CC1)C(O)=O)C(O)=O Amb22751806 [0,1,0,1,0,0|1,0,1]=4 316 B13R1.165 C[C@H]1C[C@@H]([C@H](CC1)C(O)=O)C(O)=O Amb25241540 [0,1,0,1,0,0|0,0,2]=4 317 B13R1.165 C[C@H]1C[C@H]([C@H](CC1)C(O)=O)C(O)=O Amb25366545 [0,1,0,1,0,0|0,0,2]=4 318 B13R1.165 OC(=O)C1CC(=O)OCC1C(O)=O Amb24388943 [0,1,0,1,0,0|1,0,0]=3 319 B13R1.165 OC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(O)=O Amb24611179 [0,1,0,1,0,0|0,0,0]=2 320 B13R1.165 OC(=O)[C@H]1CC(Cl)=CC[C@H]1C(O)=O Amb24682659 [0,1,0,1,0,0|0,0,0]=2 321 B13R1.165 OC(=O)[C@H]1CCC(=O)C[C@H]1C(O)=O Amb25264131 [0,1,0,1,0,0|0,0,1]=3 322 B13R1.165 OC1CCC(C(C1)C(O)=O)C(O)=O Amb24358019 [0,1,0,1,0,0|0,0,2]=4 323 B13R1.165 O[C@@H]1C[C@H]([C@H](C=C1)C(O)=O)C(O)=O Amb24580370 [0,1,0,1,0,0|0,0,2]=4 324 B13R1.165 O[C@H]1CC[C@@H]([C@H](C1)C(O)=O)C(O)=O Amb25211676 [0,1,0,1,0,0|0,0,2]=4 325 B13R1.893 CC1CCC(=O)C=C1CCC(O)=O Amb24366610 [0,1,0,1,0,0|1,0,1]=4 326 B13R1.893 OC(=O)CCC1CC(=O)CCC1=O Amb18129341 [0,1,0,1,0,0|1,0,1]=4 327 B13R1.3487 OC(=O)CC1CC(=O)NC1C(O)=O Amb25758686 [0,1,0,1,0,0|1,0,1]=4 328 B13R1.3487 OC(=O)CC1CC(=O)OC1C(O)=O Amb17778124 [0,1,0,1,0,0|1,0,1]=4 329 B13R1.3487 OC(=O)C[C@H]1CC(=O)N[C@H]1C(O)=O Amb25266829 [0,1,0,1,0,0|1,0,1]=4 330 B13R1.3487 OC(=O)[C@@H]1NC(=O)O[C@H]1CC(O)=O Amb25179099 [0,1,0,1,0,0|2,0,0]=4 331 B13R1.3496 OC(=O)CC1C(COC1=O)C(O)=O Amb24529365 [0,1,0,1,0,0|1,0,0]=3 332 B13R1.150 CC1CCC=C(CCC(O)=O)C1=O Amb25238317 [0,1,0,1,0,0|1,0,1]=4 333 B13R1.547 CCC(=O)C1CC=CCC1C(O)=O Amb25724914 [0,1,0,1,0,0|1,0,0]=3 334 B13R1.547 CNC(=O)[C@@H]1CC=CC[C@@H]1C(O)=O Amb24658845 [0,1,0,1,0,0|1,0,0]=3 335 B13R1.547 CNC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb24648775 [0,1,0,1,0,0|1,0,0]=3 336 B13R1.547 COC(=O)C1CC=CCC1C(=O)Cl Amb25742964 [0,1,0,1,0,0|1,0,0]=3 337 B13R1.547 COC(=O)C1CC=CCC1C(=O)O Amb1780535 [0,1,0,1,0,0|0,0,0]=2 338 B13R1.547 COC(=O)C1CC=CC[C@@H]1C(O)=O Amb25697168 [0,1,0,1,0,0|0,0,0]=2 339 B13R1.547 COC(=O)C1CCC=CC1C(O)=O Amb24443071 [0,1,0,1,0,0|0,0,2]=4 340 B13R1.547 COC(=O)N1CC=CCC1C(O)=O Amb18129493 [0,1,0,1,0,0|1,0,0]=3 341 B13R1.547 COC(=O)[C@@H]1CC=CC[C@@H]1C(O)=O Amb25091236 [0,1,0,1,0,0|0,0,0]=2 342 B13R1.547 COC(=O)[C@@H]1CC=CC[C@H]1C(O)=O Amb23439980 [0,1,0,1,0,0|0,0,0]=2 343 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb22735906 [0,1,0,1,0,0|0,0,2]=4 344 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb22351350 [0,1,0,1,0,0|0,0,0]=2 345 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(O)=O Amb24094620 [0,1,0,1,0,0|0,0,2]=4 346 B13R1.551 CC(=O)NC1C=CCC1C(=O)OC Amb25077238 [0,1,0,1,0,0|2,0,0]=4 347 B13R1.147 CC(CC(O)=O)C=1CCCC(=O)C1 Amb25841948 [0,1,0,1,0,0|1,0,1]=4 348 B13R1.295 CC1C=CC[C@H]([C@@H]1C(O)=O)C(O)=O Amb25179098 [0,1,0,1,0,0|0,0,0]=2 349 B13R1.295 CC1CCCC(C1C(O)=O)C(O)=O Amb24346855 [0,1,0,1,0,0|0,0,2]=4 350 B13R1.295 C[C@@H]1C=CC[C@@H]([C@@H]1C(O)=O)C(O)=O Amb24052860 [0,1,0,1,0,0|0,0,0]=2 351 B13R1.295 C[C@@H]1CCC[C@@H]([C@@H]1C(O)=O)C(O)=O Amb24600830 [0,1,0,1,0,0|0,0,2]=4 352 B13R1.295 C[C@@H]1CCC[C@H]([C@@H]1C(O)=O)C(O)=O Amb24512193 [0,1,0,1,0,0|0,0,2]=4 353 B13R1.295 OC(=O)C1C(C)C=CCC1C(=O)O Amb16186041 [0,1,0,1,0,0|0,0,0]=2 354 B13R1.295 OC(=O)[C@H]1[C@@H](C)C=CC[C@H]1C(=O)O Amb10606788 [0,1,0,1,0,0|0,0,0]=2 355 B13R1.295 OC1C=CCC(C1C(O)=O)C(O)=O Amb24663103 [0,1,0,1,0,0|0,0,0]=2 356 B13R1.295 OC1CCCC(C1C(O)=O)C(O)=O Amb25082867 [0,1,0,1,0,0|0,0,2]=4 357 B13R1.295 O[C@@H]1C=CC[C@H]([C@@H]1C(O)=O)C(O)=O Amb24598986 [0,1,0,1,0,0|0,0,0]=2 358 B13R1.295 O[C@H]1CCC[C@@H]([C@@H]1C(O)=O)C(O)=O Amb25274025 [0,1,0,1,0,0|0,0,2]=4 359 B13R1.295 O[C@H]1CCC[C@H]([C@@H]1C(O)=O)C(O)=O Amb25216981 [0,1,0,1,0,0|0,0,2]=4 360 B13R1.583 OC(=O)Cc1ccc([se]1)CC(=O)O Amb2540284 [0,1,0,1,0,0|0,0,2]=4 361 B13R1.583 OC(=O)Cc1ccc(s1)CC(=O)O Amb2477116 [0,1,0,1,0,0|0,0,2]=4 362 B13R1.2016 C[C@@]1(CC(O)=O)CCC[C@H]1C(O)=O Amb25258402 [0,1,0,1,0,0|0,0,2]=4 363 B13R1.2016 C[C@]1(CC(O)=O)CCC[C@H]1C(O)=O Amb24650910 [0,1,0,1,0,0|0,0,2]=4 364 B13R1.3534 C[C@@H]1CC[C@@H](CC(O)=O)[C@H]1C(O)=O Amb24511936 [0,1,0,1,0,0|0,0,2]=4 365 B13R1.3534 C[C@@H]1CC[C@H](CC(O)=O)[C@@H]1C(O)=O Amb24740720 [0,1,0,1,0,0|0,0,2]=4 366 B13R1.3534 C[C@H]1CC[C@H](CC(O)=O)[C@@H]1C(O)=O Amb25179267 [0,1,0,1,0,0|0,0,2]=4 367 B13R1.3534 N[C@H]1CC[C@@H](CC(O)=O)[C@H]1C(O)=O Amb24652381 [0,1,0,1,0,0|0,0,2]=4 368 B13R1.3534 N[C@H]1CC[C@H](CC(O)=O)[C@@H]1C(O)=O Amb25320958 [0,1,0,1,0,0|0,0,2]=4 369 B13R2.3328 OC(=O)C1CCC2CC1C(=O)O2 Amb25765645 [0,0,0,2,0,0|0,0,2]=4 370 B13R2.3335 OC(=O)[C@@H]1CC[C@H]2OC(=O)C[C@@H]12 Amb24622570 [0,0,0,2,0,0|0,0,2]=4 371 B13R2.3335 OC(=O)[C@H]1CC[C@H]2OC(=O)C[C@@H]12 Amb24635683 [0,0,0,2,0,0|0,0,2]=4 372 B13R2.371 O=C1C=CC(=O)C2C1CC=CC2 Amb17594029 [0,0,0,2,0,0|2,0,0]=4 373 B13R2.371 O=C1CCC(=O)[C@@H]2CC=CC[C@@H]12 Amb24689564 [0,0,0,2,0,0|2,0,0]=4 374 B13R2.371 O=C1CCC(=O)[C@@H]2CC=CC[C@H]12 Amb25093717 [0,0,0,2,0,0|2,0,0]=4 375 B13R2.4670 OC(=O)C1CC2C=CC1C(=O)O2 Amb24356019 [0,0,0,2,0,0|0,0,2]=4 376 B13R2.4697 OC(=O)C1C2CCCC1OC2=O Amb25375736 [0,0,0,2,0,0|0,0,2]=4 377 B13R2.4697 OC(=O)C1[C@@H]2CCC[C@H]1OC2=O Amb24540829 [0,0,0,2,0,0|0,0,2]=4 378 B13R2.4697 OC(=O)[C@H]1[C@@H]2CCC[C@H]1OC2=O Amb25327847 [0,0,0,2,0,0|0,0,2]=4 379 B13R2.4697 OC(=O)[C@H]1[C@H]2CCC[C@@H]1OC2=O Amb24587296 [0,0,0,2,0,0|0,0,2]=4 380 B13R2.13781 OC(=O)C1C(C2C=CC21)C(O)=O Amb22365120 [0,0,0,2,0,0|0,0,0]=2 381 B13R2.13781 OC(=O)C1C(C2CCC21)C(O)=O Amb25740955 [0,0,0,2,0,0|0,0,2]=4 382 B13R2.13781 OC(=O)[C@H]1[C@H]([C@@H]2CC[C@@H]21)C(O)=O Amb24651020 [0,0,0,2,0,0|0,0,2]=4 383 B13R2.13788 OC(=O)C1C2CCC1C2C(O)=O Amb25350308 [0,0,0,2,0,0|0,0,2]=4 384 B13R2.13701 CC(=O)C/1C\C1=C/2\CC2C(C)=O Amb25142678 [0,0,0,2,0,0|2,0,0]=4 385 B9R0.55 CC(=C)\C=C\CCC(O)=O Amb24565556 [0,0,0,0,2,0|2,0,0]=4 386 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [0,0,0,0,2,0|2,0,0]=4 387 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [0,0,0,0,2,0|2,0,0]=4 388 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [0,0,0,0,2,0|2,0,0]=4 389 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [0,0,0,0,2,0|1,0,0]=3 390 B9R0.55 CC(=O)C\C=C\CC(C)=O Amb25227383 [0,0,0,0,2,0|2,0,0]=4 391 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [0,0,0,0,2,0|2,0,0]=4 392 B9R0.55 CC(=O)OC\C=C\C(O)=O Amb24454652 [0,0,0,0,2,0|2,0,0]=4 393 B9R0.55 CC(=O)O\C=C\CC(O)=O Amb25844728 [0,0,0,0,2,0|2,0,0]=4 394 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [0,0,0,0,2,0|1,0,1]=4 395 B9R0.55 CC(O)CC\C=C\C(O)=O Amb24680771 [0,0,0,0,2,0|1,0,1]=4 396 B9R0.55 CC(O)\C=C\CCC(O)=O Amb24453133 [0,0,0,0,2,0|1,0,1]=4 397 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [0,0,0,0,2,0|2,0,0]=4 398 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [0,0,0,0,2,0|2,0,0]=4 399 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [0,0,0,0,2,0|1,0,1]=4 400 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [0,0,0,0,2,0|1,0,1]=4 401 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [0,0,0,0,2,0|2,0,0]=4 402 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [0,0,0,0,2,0|2,0,0]=4 403 B9R0.55 NC(=O)CC\C=C\C(N)=O Amb25111607 [0,0,0,0,2,0|2,0,0]=4 404 B9R0.55 NC(=O)CN\C=C\C(O)=O Amb25342855 [0,0,0,0,2,0|2,0,0]=4 405 B9R0.55 NC(=O)C\C=C\CC(N)=O Amb25856677 [0,0,0,0,2,0|2,0,0]=4 406 B9R0.55 NC(=O)\C=C/SCC(O)=O Amb25061265 [0,0,0,0,2,0|2,0,0]=4 407 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [0,0,0,0,2,0|1,0,0]=3 408 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [0,0,0,0,2,0|2,0,0]=4 409 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [0,0,0,0,2,0|0,0,0]=2 410 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [0,0,0,0,2,0|0,0,0]=2 411 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [0,0,0,0,2,0|0,0,0]=2 412 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [0,0,0,0,2,0|0,0,0]=2 413 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [0,0,0,0,2,0|0,0,0]=2 414 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [0,0,0,0,2,0|0,0,0]=2 415 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [0,0,0,0,2,0|0,0,0]=2 416 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [0,0,0,0,2,0|0,0,0]=2 417 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [0,0,0,0,2,0|0,0,0]=2 418 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [0,0,0,0,2,0|0,0,0]=2 419 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [0,0,0,0,2,0|0,0,0]=2 420 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [0,0,0,0,2,0|2,0,0]=4 421 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [0,0,0,0,2,0|0,0,0]=2 422 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [0,0,0,0,2,0|1,0,0]=3 423 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [0,0,0,0,2,0|2,0,0]=4 424 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [0,0,0,0,2,0|1,0,0]=3 425 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [0,0,0,0,2,0|1,0,0]=3 426 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [0,0,0,0,2,0|0,0,0]=2 427 B9R0.55 OC(=O)\C=C\C#CC(O)=O Amb25324015 [0,0,0,0,2,0|0,0,2]=4 428 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [0,0,0,0,2,0|1,0,0]=3 429 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [0,0,0,0,2,0|0,0,0]=2 430 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [0,0,0,0,2,0|0,0,1]=3 431 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22168121 [0,0,0,0,2,0|0,0,2]=4 432 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22230380 [0,0,0,0,2,0|0,0,2]=4 433 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22732848 [0,0,0,0,2,0|0,0,2]=4 434 B9R0.55 [O-][N+](=O)CCCCC(O)=O Amb24596293 [0,0,0,0,2,0|1,0,1]=4 435 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22264826 [0,0,0,0,0,2|0,0,2]=4 436 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22351881 [0,0,0,0,0,2|0,0,2]=4 437 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22369048 [0,0,0,0,0,2|0,0,2]=4 438 B13R0.179 OC(=O)CCC\C=C/CCCC(=O)O Amb1005866 [0,0,0,0,0,2|0,0,0]=2 439 B13R0.179 OC(=O)CCOCCOCCC(O)=O Amb21982697 [0,0,0,0,0,2|0,0,2]=4 440 B13R0.179 OC(=O)CCSCCSCCC(O)=O Amb21953070 [0,0,0,0,0,2|0,0,2]=4 441 B13R0.179 OC(=O)NCCCCCCNC(O)=O Amb22338140 [0,0,0,0,0,2|0,0,2]=4