0 B11R0.160 CC#CC[C@@H](NC(N)=O)C(O)=O Amb25152349 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.160 CC(=O)NC(CCSC)C(O)=O Amb22734380 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.160 CC(=O)N[C@@H](CCCN)C(O)=O Amb22801209 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.160 CC(=O)N[C@@H](CCSC)C(N)=O Amb22800241 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.160 CC(=O)N\C(=C/COC)\C(O)=O Amb24557839 [0,0,0,0,0,0|0,1,2]=3 5 B11R0.160 CC(=O)N\C(=C\CCC)\C(O)=O Amb24343187 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.160 CC(=O)N\C(=C\CSC)\C(O)=O Amb24552887 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.160 CCCCC(CC(O)=O)C(O)=O Amb17933248 [0,0,0,0,0,0|3,0,0]=3 8 B11R0.160 CCCCC(NC(C)=O)C(C)=O Amb21961247 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.160 CCC\C=C(\NC(C)=O)/C(C)=O Amb24621682 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.160 CCSC[C@@H](C(=O)O)NC(=O)C Amb17607536 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.160 COCCC(C(=O)O)NC(=O)C Amb13952178 [0,0,0,0,0,0|0,1,0]=1 12 B11R0.160 CSCCC(C(=O)O)NC(=O)N Amb1107591 [0,0,0,0,0,0|1,0,0]=1 13 B10R0.23 CC(=O)C(CC=C)NC(C)=O Amb25383492 [1,0,0,0,0,0|1,0,2]=4 14 B10R0.23 CC(=O)NC(CC#C)C(N)=O Amb24407297 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.23 CC(=O)NC(CC#C)C(O)=O Amb19929448 [1,0,0,0,0,0|0,0,2]=3 16 B10R0.23 CC(=O)NC(CC=O)C(O)=O Amb24105950 [1,0,0,0,0,0|0,1,1]=3 17 B10R0.23 CC(=O)NC(CCC)C(N)=S Amb18795419 [1,0,0,0,0,0|1,1,0]=3 18 B10R0.23 CC(=O)NC(CCCl)C(O)=O Amb25385679 [1,0,0,0,0,0|1,0,0]=2 19 B10R0.23 CC(=O)NC(CCS)C(O)=O Amb18127932 [1,0,0,0,0,0|0,0,0]=1 20 B10R0.23 CC(=O)NC(CNO)C(O)=O Amb25381561 [1,0,0,0,0,0|1,1,0]=3 21 B10R0.23 CC(=O)NC(CSCl)C(O)=O Amb25383450 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.23 CC(=O)NC(OCC)C(O)=O Amb24092463 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.23 CC(=O)NC(\C=C/C)C(O)=O Amb18126048 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.23 CC(=O)NC(\C=C\C)C(O)=O Amb24655979 [1,0,0,0,0,0|0,0,2]=3 25 B10R0.23 CC(=O)N[C@@H](C(=O)O)CC=C Amb16182994 [1,0,0,0,0,0|0,0,2]=3 26 B10R0.23 CC(=O)N[C@@H](CC=C)C(O)=O Amb24270992 [1,0,0,0,0,0|0,0,2]=3 27 B10R0.23 CC(=O)N[C@@H](CCN)C(O)=O Amb25384051 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.23 CC(=O)N[C@@H](CNC)C(O)=O Amb25383164 [1,0,0,0,0,0|1,0,0]=2 29 B10R0.23 CC(=O)N[C@H](CC#C)C(O)=O Amb25798940 [1,0,0,0,0,0|0,0,2]=3 30 B10R0.23 CC(=O)N\C(=C/CC)\C(O)=O Amb25061328 [1,0,0,0,0,0|0,0,2]=3 31 B10R0.23 CC(=O)N\C(=C/OC)\C(O)=O Amb25725043 [1,0,0,0,0,0|0,1,2]=4 32 B10R0.23 CC(=O)OC(CC#C)C(O)=O Amb25385017 [1,0,0,0,0,0|1,0,2]=4 33 B10R0.23 CCCC(=CC(N)=O)C(O)=O Amb25383765 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.23 CCCC(NC(C)=O)C(C)=O Amb25384460 [1,0,0,0,0,0|1,0,0]=2 35 B10R0.23 CCCC(NC(N)=O)C(N)=S Amb18180524 [1,0,0,0,0,0|2,1,0]=4 36 B10R0.23 CCC[C@H](NC(N)=O)C(N)=O Amb24750277 [1,0,0,0,0,0|2,0,0]=3 37 B10R0.23 CCC[C@H](NC(N)=O)C(O)=O Amb25385025 [1,0,0,0,0,0|1,0,0]=2 38 B10R0.23 CCNC(CC(N)=O)C(O)=O Amb18645286 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.23 COCC(NC(N)=O)C(O)=O Amb25385165 [1,0,0,0,0,0|1,1,0]=3 40 B10R0.23 COC[C@@H](NC(=O)Cl)C(O)=O Amb25385855 [1,0,0,0,0,0|1,1,0]=3 41 B10R0.23 CSC[C@@H](C(=O)O)NC(=O)C Amb17607605 [1,0,0,0,0,0|0,0,0]=1 42 B10R0.23 NC(=N)N[C@@H](CCO)C(O)=O Amb25385000 [1,0,0,0,0,0|2,1,0]=4 43 B10R0.23 NC(=O)C(CCO)NC(N)=O Amb24766230 [1,0,0,0,0,0|2,1,0]=4 44 B10R0.23 NC(=O)NC(CCN)C(O)=O Amb25383440 [1,0,0,0,0,0|2,0,0]=3 45 B10R0.23 NC(=O)NC(CCO)C(O)=O Amb18305492 [1,0,0,0,0,0|1,1,0]=3 46 B10R0.23 NC(=O)N[C@H](CCO)C(O)=O Amb25383714 [1,0,0,0,0,0|1,1,0]=3 47 B10R0.23 NCCC(NC(O)=O)C(O)=O Amb24091186 [1,0,0,0,0,0|2,0,0]=3 48 B10R0.87 CC(=O)NC(CCSC)=C=O Amb25277266 [1,0,0,0,0,0|0,0,2]=3 49 B10R0.87 CCCCC(C#N)NC(C)=O Amb25384811 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.88 CCCCC(=C=CC)C(O)=O Amb25385139 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.88 CCCCC(C(=O)O)CCC Amb17619602 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.88 CCCC[C@@H](NC=O)C(O)=O Amb22799714 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.88 CSCC[C@@H](C(=O)O)NC=O Amb16232222 [1,0,0,0,0,0|0,0,0]=1 54 B10R0.88 CSCC[C@@H](NC=O)C(O)=O Amb18180656 [1,0,0,0,0,0|0,0,0]=1 55 B10R0.88 N#CCCC(NC=O)C(O)=O Amb25386038 [1,0,0,0,0,0|2,0,0]=3 56 B12R0.120 CC(=O)NC(C#CCCC)C(O)=O Amb24546447 [0,1,0,0,0,0|1,0,1]=3 57 B12R0.120 CC(=O)NC(C(=O)O)CCCCN Amb16227243 [0,1,0,0,0,0|1,0,0]=2 58 B12R0.120 CC(=O)NC(CC#CCCl)C(O)=O Amb24351031 [0,1,0,0,0,0|1,0,1]=3 59 B12R0.120 CC(=O)N[C@H](C(=O)O)CSCC=C Amb17607405 [0,1,0,0,0,0|1,0,1]=3 60 B12R0.120 CC(=O)N[C@H](CC#CCO)C(O)=O Amb24374606 [0,1,0,0,0,0|1,0,1]=3 61 B12R0.120 CCCSC[C@@H](C(=O)O)NC(=O)C Amb17607397 [0,1,0,0,0,0|1,0,0]=2 62 B12R0.129 CCCCC(NC(=O)CCl)C(O)=O Amb24093583 [0,1,0,0,0,0|1,0,0]=2 63 B12R0.129 CCCC[C@@H](NC(=O)OC)C(O)=O Amb22749017 [0,1,0,0,0,0|1,0,0]=2 64 B12R0.129 CCCC[C@H](C(=O)O)NC(=O)CCl Amb10842256 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.129 CSCCC(C(=O)O)NC(=O)CC Amb1111725 [0,1,0,0,0,0|0,0,0]=1 66 B12R0.129 CSCCC(NC(=O)CCl)C(O)=O Amb24093581 [0,1,0,0,0,0|0,0,0]=1 67 B12R0.129 CSCC[C@@H](NC(=O)CN)C(O)=O Amb22801020 [0,1,0,0,0,0|0,0,0]=1 68 B12R0.138 CC(=O)C(CSC(C)=O)NC(C)=O Amb22460699 [0,1,0,0,0,0|3,0,0]=4 69 B12R0.138 CC(=O)NC(CCC(N)=O)C(N)=O Amb22730316 [0,1,0,0,0,0|3,0,0]=4 70 B12R0.138 CC(=O)N[C@@H](CCC(O)=O)C(N)=O Amb22800330 [0,1,0,0,0,0|3,0,0]=4 71 B12R0.138 CC(=O)N[C@@H](CCP(O)=O)C(O)=O Amb22396063 [0,1,0,0,0,0|2,0,0]=3 72 B12R0.138 CC(=O)N[C@@H](CCS(C)=O)C(O)=O Amb22799513 [0,1,0,0,0,0|0,0,1]=2 73 B12R0.138 CC(=O)SCC(C(=O)O)NC(=O)C Amb17595479 [0,1,0,0,0,0|2,0,0]=3 74 B12R0.138 CC(=O)SC[C@@H](NC(C)=O)C(O)=O Amb19131710 [0,1,0,0,0,0|2,0,0]=3 75 B12R0.138 NC(=O)CCC(C(=O)O)NC(=O)N Amb1042310 [0,1,0,0,0,0|3,0,0]=4 76 B12R0.138 OC(=O)CCC(C(=O)O)NC(=O)N Amb1152860 [0,1,0,0,0,0|3,0,0]=4 77 B12R0.138 OC(=O)CC[C@@H](C(=O)O)NC(=O)N Amb16232094 [0,1,0,0,0,0|3,0,0]=4 78 B12R0.151 CC(=O)NC(NC(=O)NC)C(O)=O Amb24092464 [0,1,0,0,0,0|2,0,1]=4 79 B12R0.151 CC(=O)N[C@@H](CC(=O)OC)C(O)=O Amb24271277 [0,1,0,0,0,0|0,1,1]=3 80 B12R0.247 CSCCC(C(=O)OC)NC(=O)C Amb17607599 [0,1,0,0,0,0|0,0,0]=1 81 B12R0.247 CSCC[C@@H](C(=O)OC)NC(=O)C Amb15691928 [0,1,0,0,0,0|0,0,0]=1 82 B12R0.253 CCCCC(C(=C)C(O)=O)C(O)=O Amb22482922 [0,1,0,0,0,0|3,0,0]=4 83 B12R0.288 CCCC[C@H](NS(C)(=O)=O)C(O)=O Amb24769600 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.11 CCN1CC(=O)CC(C1)C(O)=O Amb25826254 [0,0,0,1,0,0|3,0,0]=4 85 B12R1.11 OC(=O)C1CC(CC(=O)C1)CO Amb18647605 [0,0,0,1,0,0|3,0,0]=4 86 B12R1.11 OC(=O)C1CC(CO)NC(=O)N1 Amb24341878 [0,0,0,1,0,0|3,0,0]=4 87 B12R1.11 OC(=O)[C@@H]1C[C@@H](CO)NC(=O)N1 Amb25198842 [0,0,0,1,0,0|3,0,0]=4 88 B12R1.11 OC(=O)[C@@H]1C[C@H](CS)NC(=O)N1 Amb25264792 [0,0,0,1,0,0|3,0,0]=4 89 B12R1.210 CC(=O)CC1CCCCCC1=O Amb24535501 [0,0,0,1,0,0|3,0,0]=4 90 B12R1.210 CC(=O)CC1CCCCOC1=O Amb24721636 [0,0,0,1,0,0|2,0,0]=3 91 B12R1.210 CC(=O)NC1CCCCCC1=O Amb25158473 [0,0,0,1,0,0|2,0,0]=3 92 B12R1.210 CC(=O)NC1CCCCCC1O Amb25715202 [0,0,0,1,0,0|2,0,1]=4 93 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O Amb24512924 [0,0,0,1,0,0|2,0,1]=4 94 B12R1.210 CC(=O)N[C@H]1CCCCC[C@H]1O Amb25239351 [0,0,0,1,0,0|2,0,1]=4 95 B12R1.210 NC(=O)NC1CCCCNC1=O Amb25328510 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.233 CC(=O)NC1CCC(=O)NC1=O Amb24682600 [0,0,0,1,0,0|3,0,0]=4 97 B12R1.233 CC(=O)NC1CCC(=O)OC1=O Amb25234120 [0,0,0,1,0,0|2,0,0]=3 98 B12R1.233 CC(=O)OC1CCC(=CC1=O)C Amb17594203 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.233 CC(=O)OC1CC[C@@H](C)CC1=O Amb24343358 [0,0,0,1,0,0|3,0,0]=4 100 B12R1.233 CC(=O)O[C@@H]1CCC(C)=CC1=O Amb25205876 [0,0,0,1,0,0|3,0,0]=4 101 B12R1.261 CC(=C)C1CCCCC1C(O)=O Amb24341555 [0,0,0,1,0,0|3,0,0]=4 102 B12R1.261 CC(=O)C1CC=CCC1C(O)=O Amb25269557 [0,0,0,1,0,0|2,0,1]=4 103 B12R1.261 CC(=O)N1C=CSCC1C(O)=O Amb24634166 [0,0,0,1,0,0|2,0,1]=4 104 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb1113381 [0,0,0,1,0,0|1,0,0]=2 105 B12R1.261 CC(=O)N1CCCCC1C(C)=O Amb23442747 [0,0,0,1,0,0|2,0,0]=3 106 B12R1.261 CC(=O)N1CCCCC1C(N)=N Amb25857299 [0,0,0,1,0,0|3,0,0]=4 107 B12R1.261 CC(=O)N1CCCCC1C(N)=O Amb25323107 [0,0,0,1,0,0|2,0,0]=3 108 B12R1.261 CC(=O)N1CCCCN1C(C)=O Amb25718877 [0,0,0,1,0,0|3,0,0]=4 109 B12R1.261 CC(=O)N1CCCC[C@@H]1C(O)=O Amb25715695 [0,0,0,1,0,0|1,0,0]=2 110 B12R1.261 CC(=O)N1CCCC[C@H]1C(O)=O Amb25336488 [0,0,0,1,0,0|1,0,0]=2 111 B12R1.261 CC(=O)N1CCNCC1C(N)=O Amb20061320 [0,0,0,1,0,0|3,0,0]=4 112 B12R1.261 CC(=O)N1CCNCC1C(N)=O Amb21960315 [0,0,0,1,0,0|3,0,0]=4 113 B12R1.261 CC(=O)N1CCNCC1C(O)=O Amb21861337 [0,0,0,1,0,0|2,0,0]=3 114 B12R1.261 CC(=O)N1CCSCC1C(O)=O Amb24433847 [0,0,0,1,0,0|2,0,0]=3 115 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb23558931 [0,0,0,1,0,0|2,0,0]=3 116 B12R1.261 CC(=O)[C@H]1CC=CC[C@H]1C(O)=O Amb25210471 [0,0,0,1,0,0|2,0,1]=4 117 B12R1.261 CC(=O)[C@H]1CCCCC1C(O)=O Amb24423856 [0,0,0,1,0,0|2,0,0]=3 118 B12R1.261 CC(C)N1CCCCC1C(O)=O Amb19373990 [0,0,0,1,0,0|2,0,1]=4 119 B12R1.261 CC(C)N1CCCC[C@@H]1C(O)=O Amb23401417 [0,0,0,1,0,0|2,0,1]=4 120 B12R1.261 CC(N1CCCC[C@H]1C(=O)O)C Amb13886258 [0,0,0,1,0,0|2,0,1]=4 121 B12R1.261 CS(=O)N1CCCC[C@@H]1C(O)=O Amb25259039 [0,0,0,1,0,0|2,0,0]=3 122 B12R1.261 CS(=O)N1CCOCC1C(O)=O Amb25177228 [0,0,0,1,0,0|3,0,0]=4 123 B12R1.261 NC(=O)C1CCCC[C@H]1C(O)=O Amb25353526 [0,0,0,1,0,0|3,0,0]=4 124 B12R1.261 NC(=O)N1CCCCC1C(=O)O Amb1115531 [0,0,0,1,0,0|2,0,0]=3 125 B12R1.261 NC(=O)N1CCCCC1C(N)=O Amb18806864 [0,0,0,1,0,0|3,0,0]=4 126 B12R1.261 NC(=O)N1CCCC[C@@H]1C(O)=O Amb25051531 [0,0,0,1,0,0|2,0,0]=3 127 B12R1.261 NC(=O)N1CCNCC1C(O)=O Amb25306108 [0,0,0,1,0,0|3,0,0]=4 128 B12R1.261 NC(=O)N1CCOCC1C(O)=O Amb25793792 [0,0,0,1,0,0|3,0,0]=4 129 B12R1.261 NC(=O)N1CCSCC1C(O)=O Amb24544093 [0,0,0,1,0,0|3,0,0]=4 130 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O Amb25225612 [0,0,0,1,0,0|3,0,0]=4 131 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb22737172 [0,0,0,1,0,0|3,0,0]=4 132 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(O)=O Amb22737173 [0,0,0,1,0,0|3,0,0]=4 133 B12R1.261 OC(=O)C1CCCCC1C(=O)Cl Amb25189632 [0,0,0,1,0,0|3,0,0]=4 134 B12R1.261 OC(=O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,0,0|3,0,0]=4 135 B12R1.261 OC(=O)C1CCCC[C@H]1C(O)=O Amb25329514 [0,0,0,1,0,0|3,0,0]=4 136 B12R1.261 OC(=O)[C@@H]1CCSC[C@@H]1C(O)=O Amb25269469 [0,0,0,1,0,0|2,0,0]=3 137 B12R1.261 OC(=O)[C@H]1CCSC[C@@H]1C(O)=O Amb24652578 [0,0,0,1,0,0|2,0,0]=3 138 B12R1.276 CCCC1CC(=O)CC1C(O)=O Amb25138701 [0,0,0,1,0,0|2,0,0]=3 139 B12R1.276 CCCC1CC(=O)NC1C(O)=O Amb25732823 [0,0,0,1,0,0|1,0,0]=2 140 B12R1.276 CCCC1OC(=O)NC1C(O)=O Amb18127008 [0,0,0,1,0,0|2,0,0]=3 141 B12R1.276 CCCN1CC(=O)CC1C(O)=O Amb25851504 [0,0,0,1,0,0|3,0,0]=4 142 B12R1.276 CCC[C@@H]1OC(=O)N[C@@H]1C(O)=O Amb24617229 [0,0,0,1,0,0|2,0,0]=3 143 B12R1.276 COCC1NC(=O)CC1C(O)=O Amb18198108 [0,0,0,1,0,0|2,1,0]=4 144 B12R1.374 CC1CNC(=O)[C@@H](CCSC)N1 Amb18820658 [0,0,0,1,0,0|2,0,1]=4 145 B12R1.374 CC=1NC(CCSC)C(=O)NN1 Amb18454733 [0,0,0,1,0,0|2,0,0]=3 146 B12R1.374 CCCCC1NC(=O)CNC1=O Amb25103661 [0,0,0,1,0,0|2,0,0]=3 147 B12R1.374 CCCC[C@@H]1NC(=O)OCC1=O Amb25751798 [0,0,0,1,0,0|3,0,0]=4 148 B12R1.374 CCCC[C@H]1NC(=O)CNC1=O Amb25368428 [0,0,0,1,0,0|2,0,0]=3 149 B12R1.374 CCOCC1NC(=O)CNC1=O Amb25114053 [0,0,0,1,0,0|3,0,0]=4 150 B12R1.374 CSCC[C@H]1NC(=O)CNC1=O Amb24420004 [0,0,0,1,0,0|1,0,0]=2 151 B12R1.374 NCCCC1NC(=O)CNC1=O Amb25835027 [0,0,0,1,0,0|3,0,0]=4 152 B12R1.374 NCCC[C@@H]1NC(=O)CNC1=O Amb25152510 [0,0,0,1,0,0|3,0,0]=4 153 B12R1.427 CC(=O)NC1(CC1CO)C(O)=O Amb25764366 [0,0,0,1,0,0|2,0,0]=3 154 B12R1.427 CC(=O)N[C@@]1(C[C@@H]1CO)C(O)=O Amb24546436 [0,0,0,1,0,0|2,0,0]=3 155 B12R1.498 CC(=O)N1C(CCC1=O)C(=O)Cl Amb24399248 [0,0,0,1,0,0|3,0,0]=4 156 B12R1.498 CC(=O)N1C(CCC1=O)C(C)=O Amb25034653 [0,0,0,1,0,0|3,0,0]=4 157 B12R1.498 CC(=O)N1C(COC1=O)C(O)=O Amb25689513 [0,0,0,1,0,0|3,0,0]=4 158 B12R1.498 CC(=O)N1C(CSC1C)C(O)=O Amb24427975 [0,0,0,1,0,0|2,0,0]=3 159 B12R1.498 CC(=O)N1[C@@H](CCC1=O)C(O)=O Amb24635710 [0,0,0,1,0,0|2,0,0]=3 160 B12R1.498 CC(=O)N1[C@@H](CS[C@@H]1C)C(O)=O Amb25241552 [0,0,0,1,0,0|2,0,0]=3 161 B12R1.498 CC(=O)N1[C@@H](CS[C@H]1C)C(O)=O Amb24519279 [0,0,0,1,0,0|2,0,0]=3 162 B12R1.498 CC1SCC(C(O)=O)N1C(N)=O Amb25333826 [0,0,0,1,0,0|3,0,0]=4 163 B12R1.498 CC1SCC(C(O)=O)N1S(C)=O Amb25177294 [0,0,0,1,0,0|3,0,0]=4 164 B12R1.498 C[C@@H]1CC[C@@H]([C@H]1C(O)=O)C(O)=O Amb25176131 [0,0,0,1,0,0|3,0,0]=4 165 B12R1.498 C[C@@H]1CC[C@H]([C@H]1C(O)=O)C(O)=O Amb25210904 [0,0,0,1,0,0|3,0,0]=4 166 B12R1.498 C[C@H]1CC[C@H]([C@@H]1C(O)=O)C(O)=O Amb24655064 [0,0,0,1,0,0|3,0,0]=4 167 B12R1.498 OC(=O)C1CCC(=O)N1C(=O)C Amb17334836 [0,0,0,1,0,0|2,0,0]=3 168 B12R1.871 CC(=O)NC1(CCC1=C)C(O)=O Amb24390254 [0,0,0,1,0,0|1,0,1]=3 169 B12R1.871 CC(=O)N[C@@]1(CC[C@@H]1C)C(O)=O Amb25227462 [0,0,0,1,0,0|1,0,0]=2 170 B12R1.1011 C=C1CC(CCCCC1)C(O)=O Amb25040409 [0,0,0,1,0,0|3,0,0]=4 171 B12R1.1011 OC(=O)C1CC(=O)CCCCC1 Amb25187509 [0,0,0,1,0,0|2,0,0]=3 172 B12R1.1011 OC(=O)[C@@H]1CSSCCC(=O)N1 Amb24496033 [0,0,0,1,0,0|1,0,0]=2 173 B12R1.1218 OC(=O)C1CCC(=O)OC(=O)N1 Amb25108106 [0,0,0,1,0,0|3,0,0]=4 174 B12R1.1644 CCCCC1NC(=O)CP1(O)=O Amb25690802 [0,0,0,1,0,0|2,0,0]=3 175 B12R1.1813 CC(=O)N[C@H](C1CCC1)C(O)=O Amb22641895 [0,0,0,1,0,0|1,0,0]=2 176 B12R1.1852 CC(=O)OC1CC(CO)OC1=O Amb24379860 [0,0,0,1,0,0|3,0,0]=4 177 B12R1.3171 CC(=C)CC1(CCNC1)C(O)=O Amb25134646 [0,0,0,1,0,0|3,0,0]=4 178 B12R1.3171 CC(=O)NC1(CCCC1)C(=S)N Amb17401085 [0,0,0,1,0,0|2,1,0]=4 179 B12R1.3171 CC(=O)NC1(CSCC1)C(O)=O Amb18956249 [0,0,0,1,0,0|0,0,0]=1 180 B12R1.3171 CC(=O)NC1(CSSC1)C(O)=O Amb24074556 [0,0,0,1,0,0|1,0,0]=2 181 B12R1.3171 CC(=O)OC1(CCCC1)C(=O)Cl Amb24447625 [0,0,0,1,0,0|3,0,0]=4 182 B12R1.3171 CC(=O)OC1(CCCC1)C(N)=O Amb25337682 [0,0,0,1,0,0|3,0,0]=4 183 B12R1.3171 CC(=O)OC1(CCCC1)C(O)=O Amb18647589 [0,0,0,1,0,0|2,0,0]=3 184 B12R1.3171 CC(=O)SC1(CCCC1)C(O)=O Amb25124147 [0,0,0,1,0,0|2,0,0]=3 185 B12R1.3171 CC(C)C1(CSCC1)NC(C)=O Amb24434816 [0,0,0,1,0,0|2,0,1]=4 186 B12R1.3171 CC(C)NC1(COCC1)C(O)=O Amb25187580 [0,0,0,1,0,0|1,1,1]=4 187 B12R1.3171 CC(C)NC1(CSCC1)C(N)=O Amb18970285 [0,0,0,1,0,0|2,0,1]=4 188 B12R1.3171 CC(C)OC1(CSCC1)C(O)=O Amb18291697 [0,0,0,1,0,0|2,0,1]=4 189 B12R1.3171 CS(=O)NC1(COCC1)C(O)=O Amb25177230 [0,0,0,1,0,0|1,1,0]=3 190 B12R1.3171 CS(=O)NC1(CSCC1)C(O)=O Amb25177293 [0,0,0,1,0,0|1,0,0]=2 191 B12R1.3171 NC(=O)NC1(COCC1)C(O)=O Amb24658982 [0,0,0,1,0,0|1,1,0]=3 192 B12R1.3171 NC(=O)NC1(CSCC1)C(O)=O Amb18283511 [0,0,0,1,0,0|1,0,0]=2 193 B12R1.3171 OC(=O)CC1(CNCC1)C(O)=O Amb22713519 [0,0,0,1,0,0|3,0,0]=4 194 B12R1.3579 CC(=O)NC(CC1CC1)C(O)=O Amb22489683 [0,0,0,1,0,0|1,0,0]=2 195 B12R1.3579 CC(=O)N[C@@H](CC1CC1)C(O)=O Amb22747004 [0,0,0,1,0,0|1,0,0]=2 196 B10R0.17 CC#CCC(C(C)=O)C(C)=O Amb25143346 [0,0,0,0,1,0|2,0,1]=4 197 B10R0.17 CC#CCC(C(O)=O)C(O)=O Amb25189300 [0,0,0,0,1,0|2,0,1]=4 198 B10R0.17 CC(=O)C(CCC#C)C(C)=O Amb24766859 [0,0,0,0,1,0|2,0,1]=4 199 B10R0.17 CC(N)=C(CCOC)C(O)=O Amb25382124 [0,0,0,0,1,0|1,1,1]=4 200 B10R0.17 CCCCC(C(=O)C)C(=O)C Amb1152354 [0,0,0,0,1,0|2,0,0]=3 201 B10R0.17 CCCCC(C(O)=O)N(C)C Amb18787861 [0,0,0,0,1,0|3,0,0]=4 202 B10R0.17 CSCCC(C(N)=O)=C(O)O Amb24764772 [0,0,0,0,1,0|1,0,2]=4 203 B10R0.17 C\C=C\CC(C(O)=O)C(O)=O Amb25386310 [0,0,0,0,1,0|2,0,1]=4 204 B10R0.17 N#CCCC(C(O)=O)C(O)=O Amb25385161 [0,0,0,0,1,0|3,0,0]=4 205 B12R0.55 CC(C)CNC(CCSC)C(O)=O Amb19879405 [0,0,0,0,0,1|1,0,1]=3 206 B9R0.14 CC(=O)N[C@@H](CC=O)C=O Amb25291782 [2,0,0,0,0,0|0,1,1]=4 207 B9R0.14 CCC(CCC)NC(C)=O Amb25327258 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.14 CCCC(C#N)NC(C)=O Amb24477998 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.14 CCCC(C=C)NC(C)=O Amb25125308 [2,0,0,0,0,0|1,0,0]=3 210 B9R0.14 CCCC(C=C)OC(C)=O Amb22227963 [2,0,0,0,0,0|2,0,0]=4 211 B9R0.14 CCCC(C=O)OC(C)=O Amb18644107 [2,0,0,0,0,0|1,0,0]=3 212 B9R0.14 CCCC(CC(C)=O)C=C Amb24478388 [2,0,0,0,0,0|2,0,0]=4 213 B9R0.14 CCCC(CO)CC(C)=O Amb24708488 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.14 CCC[C@@H](CO)OC(C)=O Amb25307611 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.14 CCC[C@H](C=C)NC(C)=O Amb24434937 [2,0,0,0,0,0|1,0,0]=3 216 B9R0.14 COCC(C=C)NC(C)=O Amb24355098 [2,0,0,0,0,0|1,1,0]=4 217 B9R0.14 COCC(CO)NC(C)=O Amb25324512 [2,0,0,0,0,0|0,1,1]=4 218 B9R0.15 C#CCC(NC=O)C(O)=O Amb25069360 [2,0,0,0,0,0|0,0,2]=4 219 B9R0.15 C=CCC(NC=O)C(O)=O Amb24641210 [2,0,0,0,0,0|0,0,2]=4 220 B9R0.15 C=CC[C@H](NC=O)C(O)=O Amb24470974 [2,0,0,0,0,0|0,0,2]=4 221 B9R0.15 CCCC(C(=O)O)CC=C Amb17619617 [2,0,0,0,0,0|1,0,1]=4 222 B9R0.15 CCCC(CC=O)C(C)=O Amb18643894 [2,0,0,0,0,0|2,0,0]=4 223 B9R0.15 CCCC(COC)C(O)=O Amb24586210 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.15 CCCC(NC=O)C(N)=S Amb24602357 [2,0,0,0,0,0|1,1,0]=4 225 B9R0.15 CCCC(OC=O)C(C)=O Amb25346883 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.15 CCC[C@@H](CC=C)C(O)=O Amb25771786 [2,0,0,0,0,0|1,0,1]=4 227 B9R0.15 CCC[C@H](CC=C)C(O)=O Amb25677752 [2,0,0,0,0,0|1,0,1]=4 228 B9R0.15 CCC[C@H](NC=O)C(O)=O Amb24478840 [2,0,0,0,0,0|0,0,0]=2 229 B9R0.15 CCNC(CCC)C(N)=O Amb24419625 [2,0,0,0,0,0|1,0,1]=4 230 B9R0.15 CCNC(CSC)C(N)=O Amb18788150 [2,0,0,0,0,0|1,0,1]=4 231 B9R0.15 CCNC(CSC)C(O)=O Amb18788229 [2,0,0,0,0,0|0,0,1]=3 232 B9R0.15 CCOC(CCS)C(O)=O Amb18788311 [2,0,0,0,0,0|1,0,1]=4 233 B9R0.15 CCOC(CSC)C(O)=O Amb18788310 [2,0,0,0,0,0|1,0,1]=4 234 B9R0.15 CCSC(CCC)C(O)=O Amb24482477 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.15 CCSC(NC=O)C(O)=O Amb24482237 [2,0,0,0,0,0|1,0,0]=3 236 B9R0.15 COCC(NC=O)C(O)=O Amb25378764 [2,0,0,0,0,0|0,1,0]=3 237 B9R0.15 CSC[C@H](NC=O)C(O)=O Amb25258336 [2,0,0,0,0,0|0,0,0]=2 238 B9R0.15 CSNC(CCS)C(O)=O Amb24477034 [2,0,0,0,0,0|1,0,0]=3 239 B9R0.15 CSN[C@@H](CCS)C(O)=O Amb24482159 [2,0,0,0,0,0|1,0,0]=3 240 B9R0.15 C\C=C\C(CCC)C(O)=O Amb18643916 [2,0,0,0,0,0|1,0,0]=3 241 B9R0.15 OC(=O)C(CCBr)NC=O Amb25338200 [2,0,0,0,0,0|1,0,0]=3 242 B9R0.15 OC(=O)C(CCS)NC=O Amb24471731 [2,0,0,0,0,0|0,0,0]=2 243 B9R0.15 OCCC(NC=O)C(O)=O Amb18305692 [2,0,0,0,0,0|0,1,0]=3 244 B9R0.15 OCC[C@H](NC=O)C(O)=O Amb25056777 [2,0,0,0,0,0|0,1,0]=3 245 B9R0.39 CC(=C)CC(CC)C(O)=O Amb24480742 [2,0,0,0,0,0|2,0,0]=4 246 B9R0.39 CC(=N)NC(CC)C(N)=O Amb24408843 [2,0,0,0,0,0|2,0,0]=4 247 B9R0.39 CC(=O)C(CS)NC(C)=O Amb25053025 [2,0,0,0,0,0|1,0,0]=3 248 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [2,0,0,0,0,0|1,0,0]=3 249 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [2,0,0,0,0,0|2,0,0]=4 250 B9R0.39 CC(=O)NC(C#N)C(O)=O Amb25147351 [2,0,0,0,0,0|1,0,1]=4 251 B9R0.39 CC(=O)NC(C=C)C(O)=O Amb18124622 [2,0,0,0,0,0|0,0,2]=4 252 B9R0.39 CC(=O)NC(CC)C(N)=O Amb24352660 [2,0,0,0,0,0|1,0,0]=3 253 B9R0.39 CC(=O)NC(CC)C(N)=S Amb18792267 [2,0,0,0,0,0|1,1,0]=4 254 B9R0.39 CC(=O)NC(CCl)C(N)=O Amb24411046 [2,0,0,0,0,0|2,0,0]=4 255 B9R0.39 CC(=O)NC(CN)C(N)=O Amb24558471 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.39 CC(=O)NC(CS)C(N)=O Amb24482241 [2,0,0,0,0,0|1,0,0]=3 257 B9R0.39 CC(=O)NC(SC)C(O)=O Amb24482255 [2,0,0,0,0,0|0,0,0]=2 258 B9R0.39 CC(=O)N[C@@H](CN)C(O)=O Amb24479068 [2,0,0,0,0,0|1,0,0]=3 259 B9R0.39 CC(=O)N[C@@H](CO)C(O)=O Amb22746917 [2,0,0,0,0,0|0,1,0]=3 260 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Amb24183864 [2,0,0,0,0,0|1,0,0]=3 261 B9R0.39 CC(=O)N[C@H](CC)C(N)=O Amb25768366 [2,0,0,0,0,0|1,0,0]=3 262 B9R0.39 CC(=O)N[C@H](CO)C(N)=O Amb25791565 [2,0,0,0,0,0|1,1,0]=4 263 B9R0.39 CC(=O)N[C@H](CO)C(O)=O Amb22886955 [2,0,0,0,0,0|0,1,0]=3 264 B9R0.39 CC(=O)N\C(=C/C)\C(O)=O Amb24669908 [2,0,0,0,0,0|0,0,2]=4 265 B9R0.39 CC(=O)OC(CC)C(N)=O Amb25274332 [2,0,0,0,0,0|2,0,0]=4 266 B9R0.39 CC(=O)OC(CC)C(O)=O Amb18644246 [2,0,0,0,0,0|1,0,0]=3 267 B9R0.39 CC(=O)OC(CN)C(O)=O Amb25082692 [2,0,0,0,0,0|2,0,0]=4 268 B9R0.39 CC(=O)OC(SC)C(O)=O Amb25061355 [2,0,0,0,0,0|1,0,0]=3 269 B9R0.39 CC(=O)O[C@@H](CC)C(N)=O Amb25709607 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.39 CC(=O)S[C@@H](CC)C(O)=O Amb24738694 [2,0,0,0,0,0|1,0,0]=3 271 B9R0.39 CC(C)N[C@@H](CS)C(O)=O Amb25299344 [2,0,0,0,0,0|1,0,1]=4 272 B9R0.39 CC(C)N[C@H](CS)C(O)=O Amb25851404 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.39 CCC(C(=O)O)NC(=O)C Amb2099651 [2,0,0,0,0,0|0,0,0]=2 275 B9R0.39 CCC(NC(N)=N)C(O)=O Amb24686049 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.39 CCC(NN(C)C)C(O)=O Amb24479538 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.39 CCC(NS(C)=O)C(O)=O Amb25177157 [2,0,0,0,0,0|1,0,0]=3 278 B9R0.39 CCC(OC(C)=O)C(C)=O Amb25276388 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.39 CC[C@@H](NC(N)=O)C(N)=O Amb25177334 [2,0,0,0,0,0|2,0,0]=4 280 B9R0.39 CC[C@@H](NC(N)=O)C(O)=O Amb24715718 [2,0,0,0,0,0|1,0,0]=3 281 B9R0.39 CC[C@@H](NS(C)=O)C(O)=O Amb25177158 [2,0,0,0,0,0|1,0,0]=3 282 B9R0.39 CC[C@@H](OC(C)=O)C(C)=O Amb24504997 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.39 CC[C@H](NC(N)=O)C(O)=O Amb24538029 [2,0,0,0,0,0|1,0,0]=3 285 B9R0.39 CC[C@H](OC(C)=O)C(C)=O Amb24571835 [2,0,0,0,0,0|2,0,0]=4 286 B9R0.39 COC(NC(N)=O)C(O)=O Amb18124866 [2,0,0,0,0,0|1,1,0]=4 287 B9R0.39 CS(=O)N[C@@H](CO)C(O)=O Amb24583469 [2,0,0,0,0,0|1,1,0]=4 288 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [2,0,0,0,0,0|2,0,0]=4 290 B9R0.39 CSC(NC(N)=O)C(O)=O Amb18126402 [2,0,0,0,0,0|1,0,0]=3 291 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [2,0,0,0,0,0|2,0,0]=4 293 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.39 NC(=N)NC(CS)C(O)=O Amb24711320 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.39 NC(=O)N[C@@H](CN)C(O)=O Amb25083442 [2,0,0,0,0,0|2,0,0]=4 296 B9R0.39 NC(=O)N[C@@H](CO)C(O)=O Amb24505082 [2,0,0,0,0,0|1,1,0]=4 297 B9R0.39 NC(=O)N[C@H](CN)C(O)=O Amb24478873 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.39 NC(=O)N[C@H](CO)C(O)=O Amb25147528 [2,0,0,0,0,0|1,1,0]=4 299 B9R0.39 OC(=O)C(CS)NS(O)=O Amb24482299 [2,0,0,0,0,0|2,0,0]=4 300 B9R0.39 OCC(C(=O)O)NC(=O)C Amb1115493 [2,0,0,0,0,0|0,1,0]=3 301 B9R0.39 OCC(C(=O)O)NC(=O)N Amb1055147 [2,0,0,0,0,0|1,1,0]=4 302 B9R0.39 SCC(C(=O)O)NC(=O)C Amb1112748 [2,0,0,0,0,0|0,0,0]=2 303 B9R0.39 SCC(C(=O)O)NC(=O)N Amb1119403 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.39 SC[C@@H](C(=O)O)NC(=O)N Amb17610484 [2,0,0,0,0,0|1,0,0]=3 305 B9R0.4 CCCC[C@@H](C)NC(C)=O Amb24681561 [2,0,0,0,0,0|1,0,1]=4 306 B9R0.4 CCCC[C@H](O)CC(C)=O Amb25245692 [2,0,0,0,0,0|2,0,0]=4 307 B9R0.4 CSCCC(=O)NC(N)=O Amb24632728 [2,0,0,0,0,0|1,0,1]=4 308 B9R0.4 CSCCC(C)NC(C)=N Amb25681700 [2,0,0,0,0,0|1,0,1]=4 309 B9R0.4 CSCCC(O)CC(O)=O Amb18798349 [2,0,0,0,0,0|2,0,0]=4 310 B9R0.40 CCNC(CCSC)C=C Amb24529139 [2,0,0,0,0,0|1,0,1]=4 311 B9R0.40 CCNC(CO)CCSC Amb18792522 [2,0,0,0,0,0|0,0,2]=4 312 B9R0.13 CCC(CCOC)C(O)=O Amb25289946 [2,0,0,0,0,0|0,1,1]=4 313 B9R0.13 CCC(CCSC)C(C)=O Amb24536181 [2,0,0,0,0,0|1,0,1]=4 314 B9R0.13 CCC(CCSC)C(O)=O Amb24373794 [2,0,0,0,0,0|0,0,1]=3 315 B9R0.13 CCCCC(C=O)C(C)=O Amb25293767 [2,0,0,0,0,0|2,0,0]=4 316 B9R0.13 CCCCC(C=O)C(O)=O Amb25132913 [2,0,0,0,0,0|1,0,0]=3 317 B9R0.13 CCCCC(CC)C(O)=O Amb22232366 [2,0,0,0,0,0|1,0,1]=4 318 B9R0.13 CCCCC(CC)C(O)=O Amb22334224 [2,0,0,0,0,0|1,0,1]=4 319 B9R0.13 CCCCC(CC)C(O)=O Amb22337839 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.13 CCCCC(CC)C(O)=O Amb22351159 [2,0,0,0,0,0|1,0,1]=4 321 B9R0.13 CCCCC(CC)C(O)=O Amb22351729 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.13 CCCCC(CC)C(O)=O Amb22351933 [2,0,0,0,0,0|1,0,1]=4 323 B9R0.13 CCCCC(CC)C(O)=O Amb22363218 [2,0,0,0,0,0|1,0,1]=4 324 B9R0.13 CCCCC(NC)C(N)=O Amb24116641 [2,0,0,0,0,0|2,0,0]=4 325 B9R0.13 CCCCC(NC)C(O)=O Amb24116642 [2,0,0,0,0,0|1,0,0]=3 326 B9R0.13 CCCCC(NN)C(O)=O Amb18644274 [2,0,0,0,0,0|2,0,0]=4 327 B9R0.13 CCCCC(SC)C(O)=O Amb24478447 [2,0,0,0,0,0|2,0,0]=4 328 B9R0.13 CCCC[C@@H](NC)C(O)=O Amb22799980 [2,0,0,0,0,0|1,0,0]=3 329 B9R0.13 CCCC[C@@H](NN)C(O)=O Amb25076236 [2,0,0,0,0,0|2,0,0]=4 330 B9R0.13 CCCC[C@H](CC)C(O)=O Amb24671282 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.13 CCCC[C@H](NCl)C(O)=O Amb24482437 [2,0,0,0,0,0|2,0,0]=4 332 B9R0.13 CCSCC(NC)C(O)=O Amb18788225 [2,0,0,0,0,0|2,0,0]=4 333 B9R0.13 CNC(CCCN)C(O)=O Amb18644280 [2,0,0,0,0,0|2,0,0]=4 334 B9R0.13 CNC(CCOC)C(N)=O Amb24476849 [2,0,0,0,0,0|1,1,0]=4 335 B9R0.13 CNC(CCOC)C(O)=O Amb24405197 [2,0,0,0,0,0|0,1,0]=3 336 B9R0.13 CNC(CCSC)C(C)=C Amb24744692 [2,0,0,0,0,0|2,0,0]=4 337 B9R0.13 CNC(CCSC)C(N)=O Amb18792442 [2,0,0,0,0,0|1,0,0]=3 338 B9R0.13 CNC(CCSC)C(O)=O Amb18792506 [2,0,0,0,0,0|0,0,0]=2 339 B9R0.13 CN[C@@H](CCCN)C(O)=O Amb24584680 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.13 COC(CCSC)C(C)=O Amb25172858 [2,0,0,0,0,0|2,0,0]=4 341 B9R0.13 CSCCC(CN)C(O)=O Amb24618199 [2,0,0,0,0,0|1,0,1]=4 342 B9R0.13 CSCCC(NO)C(N)=O Amb25240562 [2,0,0,0,0,0|1,0,1]=4 343 B9R0.13 CSCCC(SC)C(O)=O Amb25111182 [2,0,0,0,0,0|1,0,0]=3 344 B9R0.13 CSCC[C@H](NO)C(O)=O Amb25306086 [2,0,0,0,0,0|0,0,1]=3 345 B11R0.32 CC(=O)NC(NC(C)=O)C(O)=O Amb25101652 [1,1,0,0,0,0|1,0,1]=4 346 B11R0.32 CC(=O)N[C@@H](CC(C)=C)C(O)=O Amb22801708 [1,1,0,0,0,0|0,0,1]=3 347 B11R0.32 CC(=O)N\C(=C/C(C)C)\C(O)=O Amb18647479 [1,1,0,0,0,0|0,0,2]=4 348 B11R0.32 CC(C)C[C@@H](NC(N)=O)C(O)=O Amb18795228 [1,1,0,0,0,0|1,0,0]=3 349 B11R0.32 CC(CC(C(=O)C)NC(=O)C)C Amb17594289 [1,1,0,0,0,0|1,0,0]=3 350 B11R0.32 CC(CC(C(=O)O)NC(=O)C)C Amb1118665 [1,1,0,0,0,0|0,0,0]=2 351 B11R0.32 CC(CC(C(=O)O)NC(=O)N)C Amb1150066 [1,1,0,0,0,0|1,0,0]=3 352 B11R0.32 NC(=O)CC(C(=O)O)NC(=O)C Amb1118662 [1,1,0,0,0,0|0,1,1]=4 353 B11R0.32 OC(=O)C[C@H](C(=O)O)NC(=O)C Amb10072238 [1,1,0,0,0,0|0,1,1]=4 354 B11R0.39 CC(=O)NC(CCS)C(=O)NN Amb22735120 [1,1,0,0,0,0|1,0,0]=3 355 B11R0.39 CC(=O)N\C(=C/CC)\C(=O)OC Amb25123914 [1,1,0,0,0,0|0,0,2]=4 356 B11R0.39 CC(=O)N\C(=C\CC)\C(=O)OC Amb24513073 [1,1,0,0,0,0|0,0,2]=4 357 B11R0.115 CC(=O)NC(C(O)=O)\C(\C)=C\C Amb24433945 [1,1,0,0,0,0|0,0,2]=4 358 B11R0.115 CC(=O)N[C@@H](C(C)CC)C(N)=O Amb22801050 [1,1,0,0,0,0|1,0,0]=3 359 B11R0.115 CC(=O)N[C@H]([C@@H](C)CC)C(O)=O Amb22230215 [1,1,0,0,0,0|0,0,0]=2 360 B11R0.115 CC(=O)N[C@H]([C@H](C)C#C)C(O)=O Amb25201021 [1,1,0,0,0,0|0,0,2]=4 361 B11R0.115 CCC(C(C(=O)O)NC(=O)C)C Amb1120324 [1,1,0,0,0,0|0,0,0]=2 362 B11R0.236 CC\C=C(/NC(=O)CN)\C(O)=O Amb25701575 [1,1,0,0,0,0|0,0,2]=4 363 B11R0.236 CC\C=C(\NC(=O)CN)/C(O)=O Amb24519248 [1,1,0,0,0,0|0,0,2]=4 364 B11R0.38 COC(=O)[C@@H](CCSC)N=C=O Amb18529287 [1,1,0,0,0,0|0,0,2]=4 365 B11R0.38 CSCC[C@@H](C(=O)OC)N=C=O Amb17042391 [1,1,0,0,0,0|0,0,2]=4 366 B11R0.78 CCSCCC(NC=O)C(O)=O Amb24325309 [1,1,0,0,0,0|0,0,0]=2 367 B11R0.146 O=CNC(C(=O)O)CCC(=O)N Amb2582546 [1,1,0,0,0,0|2,0,0]=4 368 B11R0.153 CCCCCC(C(C)=O)C(C)=O Amb17674270 [0,1,0,0,1,0|2,0,0]=4 369 B13R0.160 CSCCC(C(=O)O)NC(=O)C(=C)C Amb17143686 [0,1,0,0,0,1|1,0,0]=3 370 B13R0.160 CSCCC(C(=O)O)NC(=O)C(C)C Amb1118290 [0,1,0,0,0,1|1,0,1]=4 371 B13R0.160 C[C@@H](N)C(=O)N[C@H](CCSC)C(O)=O Amb22799811 [0,1,0,0,0,1|1,0,1]=4 372 B13R0.346 CCCCCC(CCC(C)=O)C(O)=O Amb17836604 [0,1,0,0,0,1|2,0,0]=4 373 B13R0.146 CC(=O)N[C@@H](CCCCN)C(=O)NC Amb22801241 [0,2,0,0,0,0|2,0,0]=4 374 B13R0.211 NCCCC[C@@H](NC(=O)CN)C(O)=O Amb22800466 [0,2,0,0,0,0|1,0,0]=3 375 B13R0.281 CC(=O)NC(CSCCCO)C([O-])=O Amb22054199 [0,2,0,0,0,0|1,0,1]=4 376 B13R0.281 CC(=O)N[C@H](C(=O)O)CSCCC#N Amb17607490 [0,2,0,0,0,0|1,0,1]=4 377 B13R0.281 CC(=O)N[C@H](C(=O)O)CSCCCO Amb17607576 [0,2,0,0,0,0|1,0,0]=3 378 B13R0.281 CCCCCCC(C(=O)C)NC(=O)C Amb17607295 [0,2,0,0,0,0|2,0,0]=4 379 B13R0.432 CC(=O)NC(CSC(=O)NC)C(O)=O Amb22352795 [0,2,0,0,0,0|1,0,1]=4 380 B13R0.432 CNC(=O)SC[C@@H](C(=O)O)NC(=O)C Amb17607603 [0,2,0,0,0,0|1,0,1]=4 381 B13R0.443 CC(CSC[C@@H](C(=O)O)NC(=O)C)O Amb17607573 [0,2,0,0,0,0|1,0,0]=3 382 B13R0.1304 COC(=O)NC(CCSC)P(C)(O)=O Amb22471839 [0,2,0,0,0,0|1,0,0]=3 383 B13R0.1306 CCCC[C@H](NC(=O)CCC)C(O)=O Amb25386767 [0,2,0,0,0,0|1,0,0]=3 384 B13R0.1306 CCCC[C@H](NC(=O)COC)C(O)=O Amb25386769 [0,2,0,0,0,0|1,0,0]=3 385 B13R0.1306 CCCC[C@H](NC(=O)CSC)C(O)=O Amb25386770 [0,2,0,0,0,0|1,0,0]=3 386 B13R0.1306 CCCC[C@H](NC(=O)NCC)C(O)=O Amb25386765 [0,2,0,0,0,0|1,0,0]=3 387 B13R0.1306 CSCCC(C(=O)O)NC(=O)COC Amb1118931 [0,2,0,0,0,0|0,0,0]=2 388 B13R0.1306 CSCCC(NC(=O)CCN)C(O)=O Amb22349705 [0,2,0,0,0,0|0,0,0]=2 389 B13R0.1306 C\C=C\CC(NC(=O)COC)C(O)=O Amb25387408 [0,2,0,0,0,0|1,0,1]=4 390 B13R0.1306 C\C=C\CC(NC(=O)CSC)C(O)=O Amb25387476 [0,2,0,0,0,0|1,0,1]=4 391 B13R0.1531 CCCC[C@H](NS(=O)(=O)CC)C(O)=O Amb25386771 [0,2,0,0,0,0|2,0,0]=4 392 B13R0.1531 CNS(=O)(=O)N[C@@H](CCCC)C(O)=O Amb25386772 [0,2,0,0,0,0|2,0,0]=4 393 B13R0.1531 CSCCC(C(=O)O)NS(=O)(=O)CC Amb1153577 [0,2,0,0,0,0|1,0,0]=3 394 B13R0.253 CC(=O)N[C@@H](CCC(O)=O)C(=O)OC Amb22745968 [0,2,0,0,0,0|2,0,0]=4 395 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(O)=O Amb23443355 [0,2,0,0,0,0|1,0,0]=3 396 B13R0.630 CC(=O)NC(CCC(F)(F)F)C(O)=O Amb22756947 [0,2,0,0,0,0|2,0,0]=4 397 B13R0.630 CC(=O)NC(CCP(C)([O-])=O)C([O-])=O Amb22054222 [0,2,0,0,0,0|1,0,1]=4 398 B13R0.630 CC(=O)N[C@H](C(=O)O)COC(C)(C)C Amb16182978 [0,2,0,0,0,0|2,0,0]=4 399 B13R0.200 CC(=O)N[C@@H](CC(=O)OC)C(=O)OC Amb22746781 [0,2,0,0,0,0|0,1,1]=4 400 B13R0.159 CSCCC(C(=O)OCC)NC(=O)C Amb2447007 [0,2,0,0,0,0|0,0,0]=2 401 B13R0.501 CC(=O)NC(C)(CCOC)C(=O)OC Amb24122910 [0,2,0,0,0,0|0,1,0]=3 402 B11R1.49 CCC1CC(=O)NC1C(O)=O Amb25709893 [1,0,0,1,0,0|0,0,0]=2 403 B11R1.49 CCC1NC(=O)CC1C(O)=O Amb18200025 [1,0,0,1,0,0|2,0,0]=4 404 B11R1.49 CCC1NC(=O)OC1C(O)=O Amb24468195 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.49 CCC1OC(=O)CC1C(O)=O Amb18126102 [1,0,0,1,0,0|2,0,0]=4 406 B11R1.49 CCC1OC(=O)NC1C(O)=O Amb25095254 [1,0,0,1,0,0|1,0,0]=3 407 B11R1.49 CCN1CC(=O)CC1C(O)=O Amb25722959 [1,0,0,1,0,0|2,0,0]=4 408 B11R1.49 CC[C@@H]1CC(=O)C[C@@H]1C(O)=O Amb25179117 [1,0,0,1,0,0|1,0,0]=3 409 B11R1.49 CC[C@@H]1CC(=O)N[C@H]1C(O)=O Amb25179312 [1,0,0,1,0,0|0,0,0]=2 410 B11R1.49 CC[C@@H]1NC(=O)O[C@@H]1C(O)=O Amb25109516 [1,0,0,1,0,0|2,0,0]=4 411 B11R1.49 CC[C@@H]1OC(=O)N[C@H]1C(O)=O Amb24511923 [1,0,0,1,0,0|1,0,0]=3 412 B11R1.49 CC[C@H]1NC(=O)O[C@H]1C(O)=O Amb24552842 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.49 CC[C@H]1OC(=O)N[C@@H]1C(O)=O Amb24571675 [1,0,0,1,0,0|1,0,0]=3 414 B11R1.49 CC[C@H]1OC(=O)N[C@H]1C(O)=O Amb25209929 [1,0,0,1,0,0|1,0,0]=3 415 B11R1.49 COC1CC(=O)OC1C(O)=O Amb24484569 [1,0,0,1,0,0|1,1,0]=4 416 B11R1.49 CO[C@H]1CC(=O)O[C@@H]1C(O)=O Amb24573498 [1,0,0,1,0,0|1,1,0]=4 417 B11R1.74 CC1CC(=O)CC(N1)C(O)=O Amb18200027 [1,0,0,1,0,0|2,0,0]=4 418 B11R1.74 CC1CC(CC(=O)C1)C(O)=O Amb25227466 [1,0,0,1,0,0|1,0,0]=3 419 B11R1.74 CC1CC(NC(=O)C1)C(N)=O Amb25834138 [1,0,0,1,0,0|1,0,0]=3 420 B11R1.74 CC1CC(NC(C)C1)C(O)=O Amb24588101 [1,0,0,1,0,0|1,0,1]=4 421 B11R1.74 CC=1CC(CC(C)C1)C(O)=O Amb24484487 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O Amb10608553 [1,0,0,1,0,0|1,1,0]=4 423 B11R1.74 NC1CC(NC(=O)C1)C(O)=O Amb18199921 [1,0,0,1,0,0|1,0,0]=3 424 B11R1.74 OC(=O)C1CC(=O)CC(=O)N1 Amb18200050 [1,0,0,1,0,0|0,1,1]=4 425 B11R1.74 OC(=O)[C@@H]1C[C@H](O)CC(=O)N1 Amb24693924 [1,0,0,1,0,0|0,1,0]=3 426 B11R1.86 CC(=N)NC1CCCNC1=O Amb24722010 [1,0,0,1,0,0|2,0,0]=4 427 B11R1.86 CC(=O)CC1CCCCC1=O Amb17593853 [1,0,0,1,0,0|2,0,0]=4 428 B11R1.86 CC(=O)CN1CCCOC1=O Amb24574200 [1,0,0,1,0,0|2,0,0]=4 429 B11R1.86 CC(=O)C[C@@H]1CCCCC1=O Amb25066340 [1,0,0,1,0,0|2,0,0]=4 430 B11R1.86 CC(=O)C[C@H]1CCCCC1=O Amb24690701 [1,0,0,1,0,0|2,0,0]=4 431 B11R1.86 CC(=O)NC1CCCCC1=C Amb24664108 [1,0,0,1,0,0|2,0,0]=4 432 B11R1.86 CC(=O)NC1CCCCC1=O Amb25075488 [1,0,0,1,0,0|1,0,0]=3 433 B11R1.86 CC(=O)NC1CCCCC1O Amb18797124 [1,0,0,1,0,0|1,0,1]=4 434 B11R1.86 CC(=O)NC1CCCNC1=O Amb25151255 [1,0,0,1,0,0|1,0,0]=3 435 B11R1.86 CC(=O)NN1CCCCC1=O Amb25189546 [1,0,0,1,0,0|2,0,0]=4 436 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O Amb24576991 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O Amb24659556 [1,0,0,1,0,0|1,0,1]=4 438 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O Amb25776445 [1,0,0,1,0,0|1,0,1]=4 439 B11R1.86 CC(=O)OC1CCCCC1=O Amb10576141 [1,0,0,1,0,0|2,0,0]=4 440 B11R1.86 CC(=O)OC1CCCOC1=O Amb24467743 [1,0,0,1,0,0|1,0,0]=3 441 B11R1.86 CC(=O)O[C@@H]1CCCCC1=O Amb24686407 [1,0,0,1,0,0|2,0,0]=4 442 B11R1.86 CC(=O)\C=C/1\CCCOC1=O Amb24577829 [1,0,0,1,0,0|1,0,1]=4 443 B11R1.86 NC(=O)NC1CCCNC1=O Amb18183145 [1,0,0,1,0,0|2,0,0]=4 444 B11R1.86 NC(=O)N[C@H]1CCCNC1=O Amb25800076 [1,0,0,1,0,0|2,0,0]=4 445 B11R1.86 OC(=O)CC1CCCOC1=O Amb24355420 [1,0,0,1,0,0|2,0,0]=4 446 B11R1.108 CC(C)N1C(CC1C)C(O)=O Amb25060791 [1,0,0,1,0,0|1,0,1]=4 447 B11R1.151 CC(=O)O[C@]1(C[C@H]1C)C(N)=O Amb24655111 [1,0,0,1,0,0|2,0,0]=4 448 B11R1.151 CC(=O)O[C@]1(C[C@H]1C)C(O)=O Amb24519492 [1,0,0,1,0,0|1,0,0]=3 449 B11R1.178 CC(=C)N1CCC[C@H]1C(O)=O Amb25837461 [1,0,0,1,0,0|1,0,0]=3 450 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.178 CC(=O)N1CC=C[C@H]1C(O)=O Amb24710131 [1,0,0,1,0,0|0,0,2]=4 452 B11R1.178 CC(=O)N1CCCC1B(O)O Amb19959777 [1,0,0,1,0,0|1,0,1]=4 453 B11R1.178 CC(=O)N1CCCC1C(C)=O Amb23442745 [1,0,0,1,0,0|1,0,0]=3 454 B11R1.178 CC(=O)N1CCCC1C(N)=N Amb24509062 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [1,0,0,1,0,0|0,0,0]=2 456 B11R1.178 CC(=O)N1CCC[C@@H]1C(N)=O Amb22756686 [1,0,0,1,0,0|1,0,0]=3 457 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [1,0,0,1,0,0|0,0,0]=2 458 B11R1.178 CC(=O)N1CCSC1C(O)=O Amb18647907 [1,0,0,1,0,0|1,0,0]=3 459 B11R1.178 CC(=O)N1COC[C@@H]1C(O)=O Amb24546404 [1,0,0,1,0,0|0,1,0]=3 460 B11R1.178 CC(=O)N1CSC[C@@H]1C(O)=O Amb18795582 [1,0,0,1,0,0|0,0,0]=2 461 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [1,0,0,1,0,0|0,0,0]=2 462 B11R1.178 CC(=O)N1OCCC1C(O)=O Amb25779397 [1,0,0,1,0,0|0,1,0]=3 463 B11R1.178 CC(=O)N1OCC[C@H]1C(O)=O Amb25065333 [1,0,0,1,0,0|0,1,0]=3 464 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [1,0,0,1,0,0|2,0,0]=4 465 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(O)=O Amb23558958 [1,0,0,1,0,0|1,0,0]=3 466 B11R1.178 CC(C)N1CCC[C@@H]1C(O)=O Amb22587572 [1,0,0,1,0,0|1,0,1]=4 467 B11R1.178 CC(C)N1CCC[C@@H]1C(O)=O Amb23385291 [1,0,0,1,0,0|1,0,1]=4 468 B11R1.178 CC(Cl)N1CCCC1C(O)=O Amb24716320 [1,0,0,1,0,0|1,0,1]=4 469 B11R1.178 CS(=O)N1CCC[C@@H]1C(O)=O Amb25347319 [1,0,0,1,0,0|1,0,0]=3 470 B11R1.178 CS(=O)N1CSC[C@H]1C(O)=O Amb24584899 [1,0,0,1,0,0|1,0,0]=3 471 B11R1.178 C[C@@H](Cl)N1CCC[C@H]1C(O)=O Amb24564235 [1,0,0,1,0,0|1,0,1]=4 472 B11R1.178 NC(=N)N1CCCC1C(O)=O Amb22330609 [1,0,0,1,0,0|2,0,0]=4 473 B11R1.178 NC(=N)N1CCC[C@H]1C(O)=O Amb22586483 [1,0,0,1,0,0|2,0,0]=4 474 B11R1.178 NC(=O)C1CCCC1C(O)=O Amb25714211 [1,0,0,1,0,0|2,0,0]=4 475 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb1151099 [1,0,0,1,0,0|1,0,0]=3 476 B11R1.178 NC(=O)N1CCC[C@@H]1C(O)=O Amb18787750 [1,0,0,1,0,0|1,0,0]=3 477 B11R1.178 NC(=O)N1CCC[C@H]1C(N)=O Amb24701943 [1,0,0,1,0,0|2,0,0]=4 478 B11R1.178 OC(=O)C1CCCN1C(=O)Cl Amb25321978 [1,0,0,1,0,0|1,0,0]=3 479 B11R1.178 OC(=O)C1CCC[C@@H]1C(O)=O Amb25172821 [1,0,0,1,0,0|2,0,0]=4 480 B11R1.178 OC(=O)N1CCCC1C(O)=O Amb24060622 [1,0,0,1,0,0|1,0,0]=3 481 B11R1.178 OC(=O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [1,0,0,1,0,0|1,0,0]=3 482 B11R1.178 OC(=O)[C@@H]1CCCN1C(C)C Amb10608520 [1,0,0,1,0,0|1,0,1]=4 483 B11R1.178 OC(=O)[C@@H]1CCCN1C(S)=S Amb25189153 [1,0,0,1,0,0|1,1,0]=4 484 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)Cl Amb24712700 [1,0,0,1,0,0|2,0,0]=4 485 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb13890829 [1,0,0,1,0,0|2,0,0]=4 486 B11R1.178 OC(=O)[C@H]1CCC[C@@H]1C(O)=O Amb25173035 [1,0,0,1,0,0|2,0,0]=4 487 B11R1.178 OC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25322060 [1,0,0,1,0,0|2,0,0]=4 488 B11R1.178 [O-][N+](=O)N1CCC[C@H]1C(O)=O Amb25216813 [1,0,0,1,0,0|2,0,0]=4 489 B11R1.182 BrCC[C@@H]1NC(=O)CNC1=O Amb10601675 [1,0,0,1,0,0|2,0,0]=4 490 B11R1.182 CCCC1NC(=O)CCC1O Amb25829008 [1,0,0,1,0,0|1,0,1]=4 491 B11R1.182 CCC[C@@H]1NC(=O)CNC1=O Amb25703557 [1,0,0,1,0,0|1,0,0]=3 492 B11R1.182 CCC[C@H]1NC(=O)CC[C@H]1O Amb24533434 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.182 CCC[C@H]1NC(=O)CNC1=O Amb24484861 [1,0,0,1,0,0|1,0,0]=3 494 B11R1.182 COC[C@H]1NC(=O)CNC1=O Amb25073256 [1,0,0,1,0,0|1,1,0]=4 495 B11R1.182 O=C1NCC(=O)NC1CCBr Amb24394524 [1,0,0,1,0,0|2,0,0]=4 496 B11R1.182 OCCC1NC(=O)CNC1=O Amb24564424 [1,0,0,1,0,0|1,1,0]=4 497 B11R1.497 CC1CCCC[C@H](N1)C(O)=O Amb25119161 [1,0,0,1,0,0|1,0,1]=4 498 B11R1.497 CC=1NCCCC(N1)C(O)=O Amb25807925 [1,0,0,1,0,0|1,0,1]=4 499 B11R1.497 CC=1NCCC[C@H](N1)C(O)=O Amb25060168 [1,0,0,1,0,0|1,0,1]=4 500 B11R1.497 N=C1NC(CCCN1)C(O)=O Amb25321896 [1,0,0,1,0,0|2,0,0]=4 501 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [1,0,0,1,0,0|1,0,0]=3 502 B11R1.497 O=C1CCCCC(C1)C(=O)O Amb10603800 [1,0,0,1,0,0|1,0,0]=3 503 B11R1.497 OC(=O)C1CCCCC(=O)N1 Amb19515429 [1,0,0,1,0,0|0,0,0]=2 504 B11R1.497 OC(=O)C1COCCC(=O)N1 Amb24417172 [1,0,0,1,0,0|0,1,0]=3 505 B11R1.497 OC(=O)C1CSCCC(=O)N1 Amb21937059 [1,0,0,1,0,0|0,0,0]=2 506 B11R1.497 OC(=O)[C@@H]1CCCNC(=O)N1 Amb24692630 [1,0,0,1,0,0|1,0,0]=3 507 B11R1.497 OC(=O)[C@@H]1CSCCC(=O)N1 Amb24469319 [1,0,0,1,0,0|0,0,0]=2 508 B11R1.596 CCC[C@H]1[C@@H](OC1=O)C(O)=O Amb25269481 [1,0,0,1,0,0|2,0,0]=4 509 B11R1.645 CC(=O)NC1=CC(C)OC1=O Amb24462828 [1,0,0,1,0,0|0,0,2]=4 510 B11R1.645 CC(=O)NC1CC(=O)OC1=O Amb19664157 [1,0,0,1,0,0|0,1,1]=4 511 B11R1.645 CC(=O)N[C@@H]1CC(=O)OC1=O Amb24532459 [1,0,0,1,0,0|0,1,1]=4 512 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O Amb22737462 [1,0,0,1,0,0|0,1,1]=4 513 B11R1.645 CC(=O)N[C@H]1C[C@H](C)OC1=O Amb24566094 [1,0,0,1,0,0|0,0,0]=2 514 B11R1.645 CC(=O)OC1CC(C)CC1=O Amb24528912 [1,0,0,1,0,0|2,0,0]=4 515 B11R1.645 CC(=O)O[C@@H]1C[C@H](C)NC1=O Amb24513261 [1,0,0,1,0,0|2,0,0]=4 516 B11R1.645 CC1CC(CC(O)=O)C(=O)O1 Amb25684801 [1,0,0,1,0,0|2,0,0]=4 517 B11R1.645 CC1CC(NC(N)=O)C(=O)O1 Amb25226749 [1,0,0,1,0,0|1,0,0]=3 518 B11R1.645 C[C@@H]1CC(CC(O)=O)C(=O)O1 Amb25685312 [1,0,0,1,0,0|2,0,0]=4 519 B11R1.645 C[C@H]1CC(CC(O)=O)C(=O)O1 Amb25765726 [1,0,0,1,0,0|2,0,0]=4 520 B11R1.730 CC1(C)CCCC(N1)C(O)=O Amb23589291 [1,0,0,1,0,0|1,0,1]=4 521 B11R1.730 CC1(C)CSCC(N1)C(O)=O Amb25189224 [1,0,0,1,0,0|1,0,1]=4 522 B11R1.730 CC1(C)NC(CCS1)C(O)=O Amb25683967 [1,0,0,1,0,0|1,0,1]=4 523 B11R1.730 OC(=O)[C@@H]1CCCS(=O)(=O)N1 Amb25080020 [1,0,0,1,0,0|2,0,0]=4 524 B11R1.925 CC(=O)NC(C1CC1)C(N)=S Amb25369142 [1,0,0,1,0,0|1,1,0]=4 525 B11R1.925 CC(=O)NC(C1CC1)C(O)=O Amb18300436 [1,0,0,1,0,0|0,0,0]=2 526 B11R1.925 CC(=O)OC(C1CC1)C(O)=O Amb25384418 [1,0,0,1,0,0|1,0,0]=3 527 B11R1.925 CC(C)NC(C1CC1)C(O)=O Amb18306429 [1,0,0,1,0,0|1,0,1]=4 528 B11R1.925 CN(C)NC(C1CC1)C(O)=O Amb25381518 [1,0,0,1,0,0|2,0,0]=4 529 B11R1.925 NC(=O)NC(C1CC1)C(O)=O Amb18995531 [1,0,0,1,0,0|1,0,0]=3 530 B11R1.929 CC(=O)NC1(CCC1)C(O)=O Amb23443389 [1,0,0,1,0,0|0,0,0]=2 531 B11R1.929 CC(=O)OC1(CCC1)C(O)=O Amb24447730 [1,0,0,1,0,0|1,0,0]=3 532 B11R1.929 CC(C)NC1(CCC1)C(O)=O Amb18298010 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.929 CS(=O)NC1(CCC1)C(O)=O Amb25273862 [1,0,0,1,0,0|1,0,0]=3 534 B11R1.24 CCCCC1C=CCC(=O)N1 Amb24484938 [1,0,0,1,0,0|2,0,0]=4 535 B11R1.24 CCCCC1COCC(=O)N1 Amb24631709 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.24 COCCC1COCC(=O)N1 Amb25368670 [1,0,0,1,0,0|0,1,1]=4 537 B11R1.24 CSCC[C@@H]1CNCC(=O)N1 Amb25809423 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.53 CC(=O)N1CCCCC1C=O Amb21860253 [1,0,0,1,0,0|1,0,0]=3 539 B11R1.53 CC(=O)N1CCCC[C@@H]1C=O Amb24582533 [1,0,0,1,0,0|1,0,0]=3 540 B11R1.53 CC(=O)N1CCCC[C@@H]1CO Amb25829477 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.53 CC(=O)N1CCCC[C@H]1CO Amb25268937 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.53 CC(=O)[C@H]1CCCC[C@H]1C=O Amb24598876 [1,0,0,1,0,0|2,0,0]=4 543 B11R1.183 CSC[C@H]1OC(=O)N[C@@H]1CO Amb24549107 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.230 CCCCC1CC(=O)CC1=O Amb25294421 [1,0,0,1,0,0|2,0,0]=4 545 B11R1.230 CCCC[C@H]1OC(=O)CC1=O Amb25300900 [1,0,0,1,0,0|2,0,0]=4 546 B11R1.230 COCCC1NC(=O)NC1=O Amb18183253 [1,0,0,1,0,0|1,1,0]=4 547 B11R1.230 CSCCC1NC(=O)CC1=O Amb25102674 [1,0,0,1,0,0|0,0,0]=2 548 B11R1.230 CSCCC1NC(=O)N=C1O Amb22579144 [1,0,0,1,0,0|1,0,0]=3 549 B11R1.230 CSCCC1NC(=O)NC1=O Amb1105494 [1,0,0,1,0,0|1,0,0]=3 550 B11R1.230 CSCC[C@@H]1NC(=O)CC1=O Amb18197918 [1,0,0,1,0,0|0,0,0]=2 551 B11R1.230 CSCC[C@@H]1NC(=S)NC1=O Amb25028081 [1,0,0,1,0,0|1,1,0]=4 552 B11R1.230 CSCC[C@H]1NC(=O)NC1=O Amb24695161 [1,0,0,1,0,0|1,0,0]=3 553 B11R1.245 OC[C@H]1CCCCCC(=O)N1 Amb24642522 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.313 CC(=O)CC1CCC(C)C1=O Amb22342539 [1,0,0,1,0,0|2,0,0]=4 555 B11R1.313 CC(=O)CC1CCN(C)C1=O Amb24625382 [1,0,0,1,0,0|2,0,0]=4 556 B11R1.313 CC(=O)NC1CCN(O)C1=O Amb24347435 [1,0,0,1,0,0|2,0,0]=4 557 B11R1.313 CC(=O)NC1CON(C)C1=O Amb24591188 [1,0,0,1,0,0|2,0,0]=4 558 B11R1.313 CC(=O)OC1CCN(C)C1=O Amb24441542 [1,0,0,1,0,0|2,0,0]=4 559 B11R1.313 CC(=O)O[C@H]1CCN(C)C1=O Amb24692614 [1,0,0,1,0,0|2,0,0]=4 560 B11R1.398 C[C@H]1CC[C@@]1(CO)NC(C)=O Amb25229051 [1,0,0,1,0,0|1,0,1]=4 561 B11R1.471 C[C@@H]1CC[C@@H](CO)N1C(C)=O Amb25227330 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.1062 CC(=O)NC1(CO)CCCC1 Amb18799807 [1,0,0,1,0,0|1,0,1]=4 563 B11R1.1062 CC(=O)OC1(CCCC1)C=O Amb18644797 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.1062 CCC1(CSCC1)NC(C)=O Amb25770534 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.17 CSCCC1NC=NNC1=O Amb25324027 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.17 CSCCC1NCCNC1=O Amb18989083 [1,0,0,1,0,0|1,0,1]=4 567 B11R1.21 CC1SCC(NC1=O)C(O)=O Amb23590306 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.21 CC=1C[C@H](CCC1C)C(O)=O Amb24432806 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.21 N[C@H]1CC[C@H](NC1=O)C(O)=O Amb25274959 [1,0,0,1,0,0|2,0,0]=4 570 B11R1.21 OC(=O)C1CCC(=O)C(=O)N1 Amb24361535 [1,0,0,1,0,0|2,0,0]=4 571 B11R1.48 CCC1CC(NC1=O)C(O)=O Amb24340377 [1,0,0,1,0,0|1,0,0]=3 572 B11R1.48 CCC1CC(OC1=O)C(O)=O Amb17806220 [1,0,0,1,0,0|2,0,0]=4 573 B11R1.48 CCC1C[C@H](NC1=O)C(O)=O Amb25088385 [1,0,0,1,0,0|1,0,0]=3 574 B11R1.48 NCC1CC(NC1=O)C(O)=O Amb25288332 [1,0,0,1,0,0|2,0,0]=4 575 B11R1.48 NC[C@H]1C[C@H](NC1=O)C(O)=O Amb25348489 [1,0,0,1,0,0|2,0,0]=4 576 B11R1.64 CC1SCC(C(O)=O)N1C=O Amb25707045 [1,0,0,1,0,0|2,0,0]=4 577 B11R1.193 CCCC1CCNC1C(O)=O Amb25241187 [1,0,0,1,0,0|1,0,1]=4 578 B11R1.193 CCC[C@@H]1CCN[C@@H]1C(O)=O Amb24670482 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.193 CCC[C@H]1CCN[C@@H]1C(O)=O Amb25198748 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.266 CCC1CC(NCC1)C(O)=O Amb18830613 [1,0,0,1,0,0|1,0,1]=4 581 B11R1.266 COC1CCNC(C1)C(=O)O Amb13886061 [1,0,0,1,0,0|0,1,1]=4 582 B11R1.266 COC1CCNC(C1)C(=O)O Amb13886211 [1,0,0,1,0,0|0,1,1]=4 583 B11R1.706 OC(=O)C1CCCCCNN1 Amb25827524 [1,0,0,1,0,0|2,0,0]=4 584 B11R1.767 CCC1CC1(NC=O)C(O)=O Amb24652642 [1,0,0,1,0,0|1,0,0]=3 585 B11R1.773 CC1CCC1(NC=O)C(O)=O Amb25215494 [1,0,0,1,0,0|1,0,0]=3 586 B11R1.905 CSCCC1(CCN1)C(O)=O Amb25383429 [1,0,0,1,0,0|0,0,1]=3 587 B11R1.905 CSCCC1(CNC1)C(O)=O Amb24764474 [1,0,0,1,0,0|2,0,0]=4 588 B11R1.905 CSCC[C@@]1(CCN1)C(O)=O Amb24750662 [1,0,0,1,0,0|0,0,1]=3 589 B11R1.1239 CCNC1(COCC1)C(O)=O Amb24477528 [1,0,0,1,0,0|0,1,1]=4 590 B11R1.1239 CCNC1(CSCC1)C(N)=O Amb18289668 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.1239 CCOC1(CSCC1)C(O)=O Amb18291639 [1,0,0,1,0,0|1,0,1]=4 592 B11R1.1239 OC(=O)C1(CCCC1)NC=O Amb18951589 [1,0,0,1,0,0|1,0,0]=3 593 B11R1.1239 OC(=O)C1(CSCC1)NC=O Amb18956251 [1,0,0,1,0,0|0,0,0]=2 594 B11R1.50 C=CC1OC(=O)C(C1)C(=O)C Amb17593842 [0,0,0,1,1,0|1,0,1]=4 595 B11R1.50 CC(=O)C1CC(CC)OC1=O Amb23455751 [0,0,0,1,1,0|1,0,0]=3 596 B11R1.50 CC(=O)[C@@H]1C[C@@H](CC)OC1=O Amb24546414 [0,0,0,1,1,0|1,0,0]=3 597 B11R1.50 ClCC1OC(=O)C(C1)C(=O)C Amb17594497 [0,0,0,1,1,0|2,0,0]=4 598 B11R1.143 CC(=O)C1CCCCCC1=O Amb18796759 [0,0,0,1,1,0|2,0,0]=4 599 B11R1.143 CC(=O)C1CCCCOC1=O Amb24635386 [0,0,0,1,1,0|1,0,0]=3 600 B11R1.143 NC(=O)C1CCCCCC1=O Amb10553082 [0,0,0,1,1,0|2,0,0]=4 601 B11R1.143 OC(=O)C1CCSCCC1F Amb24754165 [0,0,0,1,1,0|1,0,1]=4 602 B11R1.166 CC(=O)C1CC[C@@H](C)CC1=O Amb25347474 [0,0,0,1,1,0|2,0,0]=4 603 B11R1.166 CC(=O)C1CC[C@H](C)CC1=O Amb25373132 [0,0,0,1,1,0|2,0,0]=4 604 B11R1.166 CC1CCC(C(=O)C1)C(=O)[Na] Amb24486331 [0,0,0,1,1,0|2,0,0]=4 605 B11R1.166 CC1CCC(C(=O)N1)C(O)=O Amb24694827 [0,0,0,1,1,0|2,0,0]=4 606 B11R1.259 CCC1CC1(C(O)=O)C(O)=O Amb22741072 [0,0,0,1,1,0|2,0,0]=4 607 B11R1.259 CC[C@H]1CC1(C(O)=O)C(O)=O Amb25027904 [0,0,0,1,1,0|2,0,0]=4 608 B11R1.465 CC1=NOC(=O)C1CCCC Amb25071492 [0,0,0,1,1,0|2,0,0]=4 609 B11R1.465 CCCCC1C(=O)CCC1=O Amb25373329 [0,0,0,1,1,0|2,0,0]=4 610 B11R1.465 CNCCN1C(=O)OCC1=O Amb22642617 [0,0,0,1,1,0|2,0,0]=4 611 B11R1.669 CC1CCC1(C(C)=O)C(C)=O Amb25347411 [0,0,0,1,1,0|2,0,0]=4 612 B11R1.721 OC(=O)C(C1CCC1)C(O)=O Amb23452563 [0,0,0,1,1,0|2,0,0]=4 613 B11R1.1381 OC(=O)C(CC1CC1)C(O)=O Amb25379825 [0,0,0,1,1,0|2,0,0]=4 614 B11R1.1385 NC(=O)C1(CCCC1)C(O)=O Amb21927516 [0,0,0,1,1,0|2,0,0]=4 615 B11R1.1385 OC(=O)C1(CCCC1)C(=O)O Amb16230758 [0,0,0,1,1,0|2,0,0]=4 616 B13R1.13 CC(=O)N1CC(CCC1C)C(N)=O Amb24421222 [0,0,0,1,0,1|2,0,0]=4 617 B13R1.13 CC1CCC(CN1C(N)=O)C(O)=O Amb25379192 [0,0,0,1,0,1|2,0,0]=4 618 B13R1.13 CC1CCC(CN1S(C)=O)C(O)=O Amb25248233 [0,0,0,1,0,1|2,0,0]=4 619 B13R1.280 CC(=O)NNC1CCCCNC1=O Amb24613702 [0,0,0,1,0,1|2,0,0]=4 620 B13R1.356 CCCN1CC(=O)NCC1C(O)=O Amb25354164 [0,0,0,1,0,1|2,0,0]=4 621 B13R1.589 CC(=O)CC1CCCCC1C(O)=O Amb18129441 [0,0,0,1,0,1|2,0,0]=4 622 B13R1.589 CC(=O)CN1CCCCC1C(=O)O Amb17561167 [0,0,0,1,0,1|1,0,0]=3 623 B13R1.589 CC(=O)CN1CCCCC1C(N)=O Amb18328519 [0,0,0,1,0,1|2,0,0]=4 624 B13R1.589 CC(=O)C[C@@H]1CCCC[C@H]1C(O)=O Amb25216930 [0,0,0,1,0,1|2,0,0]=4 625 B13R1.589 CC(=O)N[C@@H]1CCCC[C@@H]1C(O)=O Amb24739466 [0,0,0,1,0,1|1,0,0]=3 626 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1C(O)=O Amb25179071 [0,0,0,1,0,1|1,0,0]=3 627 B13R1.589 CC(=O)N[C@H]1CCCC[C@@H]1C(O)=O Amb24634006 [0,0,0,1,0,1|1,0,0]=3 628 B13R1.589 CC(=O)OC1CCCCC1C(O)=O Amb25276247 [0,0,0,1,0,1|2,0,0]=4 629 B13R1.589 CC(=O)ON1CCCCC1C(O)=O Amb25109944 [0,0,0,1,0,1|1,0,0]=3 630 B13R1.589 CC(=O)O[C@@H]1CCCC[C@@H]1C(O)=O Amb25322063 [0,0,0,1,0,1|2,0,0]=4 631 B13R1.589 CC(=O)SC1CCCCC1C(O)=O Amb24669021 [0,0,0,1,0,1|2,0,0]=4 632 B13R1.589 OC(=O)CN1CCCCC1C(=O)O Amb17561089 [0,0,0,1,0,1|2,0,0]=4 633 B13R1.589 OC(=O)CN1CCCCC1C(O)=O Amb25052028 [0,0,0,1,0,1|2,0,0]=4 634 B13R1.1060 CC(=O)N1CC(CCCC1)C(O)=O Amb25843726 [0,0,0,1,0,1|1,0,0]=3 635 B13R1.1060 CC(=O)N1CC(COCC1)C(O)=O Amb20062252 [0,0,0,1,0,1|2,0,0]=4 636 B13R1.1060 NC(=O)[C@H]1CCCC[C@H](N1)C(O)=O Amb25179908 [0,0,0,1,0,1|2,0,0]=4 637 B13R1.1060 OC(=O)C1CCSCC(N1)C(O)=O Amb24435007 [0,0,0,1,0,1|1,0,0]=3 638 B13R1.8685 CC(=O)NCC1(CCCC1)C(O)=O Amb25050305 [0,0,0,1,0,1|1,0,0]=3 639 B13R1.3773 OC(=O)CC1CC(=O)CCCCC1 Amb25701324 [0,0,0,1,0,1|2,0,0]=4 640 B13R1.8836 CC(=O)OC1(CCCC1)NC(C)=O Amb25761935 [0,0,0,1,0,1|2,0,0]=4 641 B13R1.295 CC(=O)N1CCCC(C)C1C(O)=O Amb24456220 [0,1,0,1,0,0|1,0,0]=3 642 B13R1.295 CC(=O)N1CCC[C@@H](O)[C@@H]1C(O)=O Amb24726248 [0,1,0,1,0,0|1,0,0]=3 643 B13R1.295 CC1CCCN(C1C(O)=O)C(N)=O Amb24533803 [0,1,0,1,0,0|2,0,0]=4 644 B13R1.295 CC1CCCN(C1C(O)=O)S(C)=O Amb24557363 [0,1,0,1,0,0|2,0,0]=4 645 B13R1.1113 CC(=O)NC(C1CCC=C1)C(O)=O Amb24373844 [0,1,0,1,0,0|1,0,1]=4 646 B13R1.1113 CC(=O)NC(C1CCCC1)C(N)=O Amb24421248 [0,1,0,1,0,0|2,0,0]=4 647 B13R1.1113 CC(=O)NC(C1CCCO1)C(O)=O Amb24492226 [0,1,0,1,0,0|1,0,0]=3 648 B13R1.1113 CC(=O)N[C@@H](C1CCCC1)C(O)=O Amb25331329 [0,1,0,1,0,0|1,0,0]=3 649 B13R1.3004 CC(=O)NC1C(O)C(CO)OC1=O Amb24682159 [0,1,0,1,0,0|2,0,0]=4 650 B13R1.3004 CC(=O)N[C@@H]1[C@@H](O)[C@H](CO)OC1=O Amb24513263 [0,1,0,1,0,0|2,0,0]=4 651 B13R1.3004 CC(=O)N[C@@H]1[C@H](O)[C@@H](CO)OC1=O Amb24562291 [0,1,0,1,0,0|2,0,0]=4 652 B13R1.3004 CC(=O)N[C@H]1[C@H](O)[C@H](CO)OC1=O Amb25215428 [0,1,0,1,0,0|2,0,0]=4 653 B13R1.3770 CC(=O)NC1(CCCC1C)C(N)=O Amb24473660 [0,1,0,1,0,0|2,0,0]=4 654 B13R1.3770 CC(=O)NC1(CCOC1C)C(O)=O Amb25763326 [0,1,0,1,0,0|0,1,0]=3 655 B13R1.3770 CC(=O)NC1(CCSC1C)C(O)=O Amb24533313 [0,1,0,1,0,0|0,0,0]=2 656 B13R1.3770 CC(C)NC1(CCSC1C)C(O)=O Amb24349393 [0,1,0,1,0,0|1,0,1]=4 657 B13R1.9143 COCC1(C)CC(=O)NC1C(O)=O Amb25820034 [0,1,0,1,0,0|0,1,0]=3 658 B13R1.31 OC(=O)C1CC(CCO)CC(=O)C1 Amb18129601 [0,1,0,1,0,0|2,0,0]=4 659 B13R1.31 OC(=O)[C@H]1C[C@H](CCO)CC(=O)C1 Amb25326657 [0,1,0,1,0,0|2,0,0]=4 660 B13R1.1082 CC(=O)[C@H]1CCCCC[C@@H]1C(O)=O Amb25232970 [0,1,0,1,0,0|2,0,0]=4 661 B13R1.1082 CS(=O)N1CCCCCC1C(O)=O Amb24551441 [0,1,0,1,0,0|2,0,0]=4 662 B13R1.1082 NC(=O)N1CCCCCC1C(O)=O Amb25839215 [0,1,0,1,0,0|2,0,0]=4 663 B13R1.1082 OC(=O)C1CCCCCC1C(=O)C Amb17594754 [0,1,0,1,0,0|2,0,0]=4 664 B13R1.3398 CCC1SCC(C(O)=O)N1S(C)=O Amb25177410 [0,1,0,1,0,0|2,0,0]=4 665 B13R1.3398 CC[C@H]1CC[C@H](C(O)=O)N1C(=O)Cl Amb25175766 [0,1,0,1,0,0|2,0,0]=4 666 B13R1.8842 CC(=C)CC1(CCSCC1)C(O)=O Amb24721576 [0,1,0,1,0,0|2,0,0]=4 667 B13R1.8842 CC(=O)CC1(CCCCC1)C(O)=O Amb18129424 [0,1,0,1,0,0|2,0,0]=4 668 B13R1.8842 CC(=O)NC1(CCNCC1)C(O)=O Amb24122884 [0,1,0,1,0,0|1,0,0]=3 669 B13R1.8842 CC(=O)NC1(CCOCC1)C(N)=O Amb25847434 [0,1,0,1,0,0|1,1,0]=4 670 B13R1.8842 CC(=O)NC1(CCOCC1)C(O)=O Amb25727055 [0,1,0,1,0,0|0,1,0]=3 671 B13R1.8842 CC(=O)NC1(CCSCC1)C(O)=O Amb24768828 [0,1,0,1,0,0|0,0,0]=2 672 B13R1.8842 CC(=O)NC1(COCCC1)C(O)=O Amb25246136 [0,1,0,1,0,0|0,1,0]=3 673 B13R1.8842 CC(=O)NC1(CSCCC1)C(O)=O Amb25187991 [0,1,0,1,0,0|0,0,0]=2 674 B13R1.8842 CC(=O)OC1(CCCCC1)C(O)=O Amb18129588 [0,1,0,1,0,0|2,0,0]=4 675 B13R1.8842 CC(C)NC1(CCSCC1)C(O)=O Amb18292067 [0,1,0,1,0,0|1,0,1]=4 676 B13R1.8842 CC(C)NC1(CSCCC1)C(O)=O Amb18999515 [0,1,0,1,0,0|1,0,1]=4 677 B13R1.8842 CS(=O)NC1(CCOCC1)C(O)=O Amb25177365 [0,1,0,1,0,0|1,1,0]=4 678 B13R1.8842 OC(=O)CC1(CCSCC1)C(O)=O Amb25123821 [0,1,0,1,0,0|2,0,0]=4 679 B13R1.349 OC(=O)C1CCCCN1S(=O)(=O)C Amb1157152 [0,1,0,1,0,0|2,0,0]=4 680 B13R1.547 CC(=O)N1CCCCC1C(=O)CBr Amb25099675 [0,1,0,1,0,0|2,0,0]=4 681 B13R1.547 CC(=O)N1CCCCC1C(=O)CC Amb24576797 [0,1,0,1,0,0|2,0,0]=4 682 B13R1.547 CC(=O)N1CCCCC1C(=O)CCl Amb25807661 [0,1,0,1,0,0|2,0,0]=4 683 B13R1.547 CC(=O)N1CCCCC1C(=O)OC Amb21860423 [0,1,0,1,0,0|1,0,0]=3 684 B13R1.547 CC(=O)N1CCNCC1C(=O)OC Amb21861349 [0,1,0,1,0,0|2,0,0]=4 685 B13R1.547 CC(=O)N1CCOCC1C(=O)OC Amb25190591 [0,1,0,1,0,0|2,0,0]=4 686 B13R1.547 CCC(=O)N1CCCCC1C(=O)O Amb1116573 [0,1,0,1,0,0|1,0,0]=3 687 B13R1.547 CCC(=O)N1CCCCC1C(N)=O Amb24619346 [0,1,0,1,0,0|2,0,0]=4 688 B13R1.547 CCC(=O)N1CCNCC1C(O)=O Amb25368178 [0,1,0,1,0,0|2,0,0]=4 689 B13R1.547 CCC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb23558953 [0,1,0,1,0,0|2,0,0]=4 690 B13R1.547 CNC(=O)N1CCCCC1C(N)=O Amb25833264 [0,1,0,1,0,0|2,0,0]=4 691 B13R1.547 CNC(=O)N1CCCCC1C(O)=O Amb18278538 [0,1,0,1,0,0|1,0,0]=3 692 B13R1.547 CNC(=O)N1CCCC[C@@H]1C(O)=O Amb25122329 [0,1,0,1,0,0|1,0,0]=3 693 B13R1.547 CNC(=O)N1CCCC[C@H]1C(O)=O Amb25697764 [0,1,0,1,0,0|1,0,0]=3 694 B13R1.547 CNC(=O)[C@@H]1CCCC[C@@H]1C(O)=O Amb23441200 [0,1,0,1,0,0|2,0,0]=4 695 B13R1.547 COC(=O)C1CCCCN1C(=O)Cl Amb24678984 [0,1,0,1,0,0|2,0,0]=4 696 B13R1.547 COC(=O)C1CCCCN1S(C)=O Amb24583463 [0,1,0,1,0,0|2,0,0]=4 697 B13R1.547 COC(=O)N1CC=CCC1C(O)=O Amb18129493 [0,1,0,1,0,0|1,0,1]=4 698 B13R1.547 COC(=O)N1CCCCC1C(N)=O Amb25153625 [0,1,0,1,0,0|2,0,0]=4 699 B13R1.547 COC(=O)N1CCNCC1C(O)=O Amb25105850 [0,1,0,1,0,0|2,0,0]=4 700 B13R1.547 COC(=O)N1CCOC[C@@H]1C(O)=O Amb25079140 [0,1,0,1,0,0|2,0,0]=4 701 B13R1.547 COC(=O)N1CCOC[C@H]1C(O)=O Amb24389900 [0,1,0,1,0,0|2,0,0]=4 702 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb22735906 [0,1,0,1,0,0|2,0,0]=4 703 B13R1.547 COC(=O)[C@H]1CCCCN1C(N)=O Amb25366896 [0,1,0,1,0,0|2,0,0]=4 704 B13R1.547 COC(=O)[C@H]1CCCCN1S(C)=O Amb25177173 [0,1,0,1,0,0|2,0,0]=4 705 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(O)=O Amb24094620 [0,1,0,1,0,0|2,0,0]=4 706 B13R1.547 CSC(=S)N1CCCCC1C(O)=O Amb24741750 [0,1,0,1,0,0|1,1,0]=4 707 B13R1.547 NC(=O)C1CCCCN1C(=O)CN Amb18955361 [0,1,0,1,0,0|2,0,0]=4 708 B13R1.547 NC(=O)C1CCCCN1C(=O)CS Amb24702770 [0,1,0,1,0,0|2,0,0]=4 709 B13R1.547 NCC(=O)N1CCCCC1C(O)=O Amb18951665 [0,1,0,1,0,0|1,0,0]=3 710 B13R1.547 NCC(=O)N1CCCC[C@@H]1C(O)=O Amb24667287 [0,1,0,1,0,0|1,0,0]=3 711 B13R1.547 OC(=O)C1CCCCN1C(=O)CCl Amb21956218 [0,1,0,1,0,0|1,0,0]=3 712 B13R1.547 OC(=O)C1CCCCN1C(=O)CS Amb24598239 [0,1,0,1,0,0|1,0,0]=3 713 B13R1.784 CC1=CCC(=O)NC(CS1)C(O)=O Amb24418033 [0,1,0,1,0,0|2,0,0]=4 714 B13R1.784 CC1=CCC(=O)N[C@@H](CS1)C(O)=O Amb24490426 [0,1,0,1,0,0|2,0,0]=4 715 B13R1.1630 CC1NC(CCSC)C(=O)NC1=O Amb25769807 [0,1,0,1,0,0|1,0,1]=4 716 B13R1.1814 CC1CCC(C1C(=O)OC)C(O)=O Amb24559192 [0,1,0,1,0,0|2,0,0]=4 717 B13R1.1814 CCC(=O)N1C(=O)CCC1C(=O)O Amb17335734 [0,1,0,1,0,0|2,0,0]=4 718 B13R1.1814 COC(=O)N1C(CCC1=O)C(O)=O Amb24711388 [0,1,0,1,0,0|2,0,0]=4 719 B13R1.1814 C[C@H]1CC[C@@H](C(N)=O)N1C(=O)CCl Amb25209492 [0,1,0,1,0,0|2,0,0]=4 720 B13R1.2108 COC(=O)NC1(CC1C=C)C(O)=O Amb20248595 [0,1,0,1,0,0|1,0,1]=4 721 B13R1.2679 COC(=O)NC1CCC(=O)OC1=O Amb25049313 [0,1,0,1,0,0|2,0,0]=4 722 B13R1.3711 N[C@H]1CSSC[C@@H](NC1=O)C(O)=O Amb25258492 [0,1,0,1,0,0|1,0,0]=3 723 B13R1.3711 OC(=O)C1CSSCC(C(=O)N1)N Amb17596056 [0,1,0,1,0,0|1,0,0]=3 724 B13R1.3800 NC1C(O)CCC(NC1=O)C(O)=O Amb25274990 [0,1,0,1,0,0|2,0,0]=4 725 B13R1.4930 C#CC(=O)NC1(CSCC1)C(O)=O Amb18956250 [0,1,0,1,0,0|0,0,1]=3 726 B13R1.4930 C=CC(=O)NC1(CSCC1)C(O)=O Amb18981136 [0,1,0,1,0,0|0,0,1]=3 727 B13R1.4930 CCC(=O)NC1(CCCC1)C(N)=O Amb25725184 [0,1,0,1,0,0|2,0,0]=4 728 B13R1.4930 CCC(=O)NC1(COCC1)C(O)=O Amb24407133 [0,1,0,1,0,0|0,1,0]=3 729 B13R1.4930 CCC(=O)NC1(CSCC1)C(O)=O Amb18981127 [0,1,0,1,0,0|0,0,0]=2 730 B13R1.4930 CNC(=O)NC1(CCCC1)C(=O)O Amb1140156 [0,1,0,1,0,0|1,0,0]=3 731 B13R1.4930 COC(=O)NC1(CCCO1)C(O)=O Amb25684809 [0,1,0,1,0,0|2,0,0]=4 732 B13R1.4930 COC(=O)NC1(CSCC1)C(O)=O Amb18981139 [0,1,0,1,0,0|0,0,0]=2 733 B13R1.4930 NC(=O)C1(CCCC1)NC(=O)CCl Amb25749124 [0,1,0,1,0,0|2,0,0]=4 734 B13R1.4930 NC(=O)C1(CCCC1)NC(=O)CN Amb24348756 [0,1,0,1,0,0|2,0,0]=4 735 B13R1.4930 NCC(=O)NC1(CCCC1)C(O)=O Amb18972917 [0,1,0,1,0,0|1,0,0]=3 736 B13R1.4930 OC(=O)C1(CCCC1)NC(=O)CCl Amb25190613 [0,1,0,1,0,0|1,0,0]=3 737 B13R1.6212 C#CC(=O)NC(C1CCC1)C(O)=O Amb25292562 [0,1,0,1,0,0|1,0,1]=4 738 B13R1.6212 COC(=O)NC(C1COC1)C(O)=O Amb17933848 [0,1,0,1,0,0|0,1,0]=3 739 B13R1.126 CC(C)C1CC(NC(=O)N1)C(O)=O Amb25304569 [0,1,0,1,0,0|2,0,0]=4 740 B13R1.165 CC(=O)N1CC(C)CCC1C(O)=O Amb25108643 [0,1,0,1,0,0|1,0,0]=3 741 B13R1.165 CC(=O)N1CCC(C)CC1C(O)=O Amb24360180 [0,1,0,1,0,0|1,0,0]=3 742 B13R1.165 CC1CCN(C(C1)C(O)=O)S(C)=O Amb25177364 [0,1,0,1,0,0|2,0,0]=4 743 B13R1.165 CN1CCN(C(C1)C(O)=O)C(C)=O Amb24734282 [0,1,0,1,0,0|2,0,0]=4 744 B13R1.1012 CC(=O)N1C(CC1C(O)=O)C(O)=O Amb25725038 [0,1,0,1,0,0|2,0,0]=4 745 B13R1.1012 CC(=O)N1[C@H](C[C@H]1C(O)=O)C(O)=O Amb25108347 [0,1,0,1,0,0|2,0,0]=4 746 B13R1.2018 CC1(C)CCC1(NC(C)=O)C(O)=O Amb24636469 [0,1,0,1,0,0|1,0,0]=3 747 B13R1.2023 CC(=O)N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24602435 [0,1,0,1,0,0|2,0,0]=4 748 B13R1.3487 OC(=O)CC1CC(=O)NC1C(O)=O Amb25758686 [0,1,0,1,0,0|2,0,0]=4 749 B13R1.3487 OC(=O)C[C@H]1CC(=O)N[C@H]1C(O)=O Amb25266829 [0,1,0,1,0,0|2,0,0]=4 750 B13R1.5889 CC(=O)NC1(CCC(=O)O1)C(O)=O Amb25685375 [0,1,0,1,0,0|2,0,0]=4 751 B13R1.5889 CC(=O)NC1(CN(C)CC1)C(O)=O Amb25744654 [0,1,0,1,0,0|1,0,0]=3 752 B13R1.5889 CC(=O)NC1(CSC(C)C1)C(O)=O Amb25794889 [0,1,0,1,0,0|0,0,0]=2 753 B13R1.5889 CC(C)NC1(CSC(C)C1)C(O)=O Amb25061432 [0,1,0,1,0,0|1,0,1]=4 754 B13R1.8761 CC(=O)N1C(COC1(C)C)C(O)=O Amb25352165 [0,1,0,1,0,0|2,0,0]=4 755 B13R1.541 CC(OC)C1CC(=O)NC1C(O)=O Amb25371672 [0,1,0,1,0,0|0,1,0]=3 756 B13R1.788 CC(=O)NC1(CC(C)C1C)C(O)=O Amb25370234 [0,1,0,1,0,0|1,0,0]=3 757 B13R1.2988 CC(=O)N1C[C@@H](C[C@H]1C(N)=O)OC Amb24723720 [0,1,0,1,0,0|1,1,0]=4 758 B13R1.2988 CC(=O)N1C[C@H](C[C@H]1C(N)=O)OC Amb25700499 [0,1,0,1,0,0|1,1,0]=4 759 B13R1.2988 CC(=O)N1C[C@H](C[C@H]1C(O)=O)OC Amb24589704 [0,1,0,1,0,0|0,1,0]=3 760 B13R1.3472 CN1C(=O)CC(C(O)=O)N1C(C)=O Amb25320326 [0,1,0,1,0,0|1,0,1]=4 761 B13R1.3786 OC(=O)C1CC(O)CCCC(=O)C1 Amb24430434 [0,1,0,1,0,0|2,0,0]=4 762 B13R1.6009 CC(=O)NC1(CC(C1)OC)C(O)=O Amb25037129 [0,1,0,1,0,0|0,1,0]=3 763 B13R1.6924 CC1(CC1(NC(C)=O)C(O)=O)CC Amb24728776 [0,1,0,1,0,0|1,0,0]=3 764 B13R1.7002 CC(=O)N[C@H]1C[C@](C)(CO)OC1=O Amb25220970 [0,1,0,1,0,0|2,0,0]=4 765 B13R1.314 COC(=O)C1CC(CN)CC(=O)N1 Amb24385957 [0,1,0,1,0,0|2,0,0]=4 766 B13R1.1688 COC(=O)C1CCCCCC(=O)N1 Amb25840918 [0,1,0,1,0,0|1,0,0]=3 767 B13R1.1779 CC(=O)N1C(CCC1=O)C(=O)CO Amb24544436 [0,1,0,1,0,0|2,0,0]=4 768 B13R1.1779 CC(=O)N1C(CCC1O)C(=O)OC Amb25344807 [0,1,0,1,0,0|2,0,0]=4 769 B13R1.1779 CC(=O)N1C(CN=C1C)C(=O)OC Amb24464752 [0,1,0,1,0,0|2,0,0]=4 770 B13R1.1779 CC(=O)N1[C@@H](CC[C@H]1O)C(=O)OC Amb25236535 [0,1,0,1,0,0|2,0,0]=4 771 B13R1.1779 CC(=O)N1[C@@H](CN=C1C)C(=O)OC Amb25204364 [0,1,0,1,0,0|2,0,0]=4 772 B13R1.1779 CC(=O)N1[C@H](CC[C@@H]1C)C(=O)NC Amb24624724 [0,1,0,1,0,0|2,0,0]=4 773 B13R1.1779 CC(=O)N1[C@H](CC[C@H]1C)C(=O)NC Amb24512810 [0,1,0,1,0,0|2,0,0]=4 774 B13R1.1828 CC(=O)NC1(CCC1O)C(=O)OC Amb24462820 [0,1,0,1,0,0|2,0,0]=4 775 B13R1.1828 CC(=O)N[C@@]1(CC[C@H]1O)C(=O)OC Amb24743296 [0,1,0,1,0,0|2,0,0]=4 776 B13R1.4661 CC(=O)NC1(CCCC1)C(=O)CBr Amb24701061 [0,1,0,1,0,0|2,0,0]=4 777 B13R1.4661 CC(=O)NC1(COCC1)C(=O)CCl Amb24368429 [0,1,0,1,0,0|1,1,0]=4 778 B13R1.4661 CC(=O)NC1(COCC1)C(=O)NN Amb25670666 [0,1,0,1,0,0|1,1,0]=4 779 B13R1.4661 COC(=O)C1(CCCC1)NC(=O)C Amb13998588 [0,1,0,1,0,0|1,0,0]=3 780 B13R1.4661 O\N=C(/C1(CCCC1)NC(=O)C)\N Amb10609821 [0,1,0,1,0,0|2,0,0]=4 781 B13R1.4661 O\N=C(\C1(CCCC1)NC(=O)C)/N Amb10764660 [0,1,0,1,0,0|2,0,0]=4 782 B13R1.1091 CC(=O)C1(C)CCCCC1C(O)=O Amb25835089 [0,1,0,1,0,0|2,0,0]=4 783 B13R1.1091 CC(=O)N1CCCCC1(C)C(N)=O Amb25730817 [0,1,0,1,0,0|2,0,0]=4 784 B13R1.1091 CC(=O)N1CCCCC1(C)C(O)=O Amb21960350 [0,1,0,1,0,0|1,0,0]=3 785 B13R1.11086 CC(=O)N(C)C1(CCCC1)C(N)=O Amb25235894 [0,1,0,1,0,0|2,0,0]=4 786 B13R1.11086 CC(=O)N(C)C1(CSCC1)C(O)=O Amb25824310 [0,1,0,1,0,0|0,0,0]=2 787 B13R1.11086 CN(C(N)=O)C1(CCCC1)C(O)=O Amb25101340 [0,1,0,1,0,0|2,0,0]=4 788 B13R1.11086 CN(S(C)=O)C1(CCCC1)C(O)=O Amb25359764 [0,1,0,1,0,0|2,0,0]=4 789 B13R1.11086 CN(S(C)=O)C1(COCC1)C(O)=O Amb24738318 [0,1,0,1,0,0|1,1,0]=4 790 B13R1.8660 CS(=O)(=O)NC1(CSCC1)C(O)=O Amb18981143 [0,1,0,1,0,0|1,0,0]=3 791 B13R1.8660 NS(=O)(=O)NC1(CSCC1)C(O)=O Amb24377228 [0,1,0,1,0,0|2,0,0]=4 792 B13R1.3988 CCC[C@H]1CC(=O)O[C@@]1(C)C(O)=O Amb25363152 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.3027 O=C1CC2CC(C1)CCOC2=O Amb25282710 [0,0,0,2,0,0|2,0,0]=4 794 B13R2.10845 OC(=O)C12CC(CC(=O)N1)CC2 Amb23596977 [0,0,0,2,0,0|1,0,0]=3 795 B13R2.3760 CC(=O)NC12CCC1CCC2=O Amb25703584 [0,0,0,2,0,0|2,0,0]=4 796 B13R2.4669 O=C1CC2CCCC(C1)OC2=O Amb25282850 [0,0,0,2,0,0|2,0,0]=4 797 B13R2.12085 CC(=O)NC12CC1C(=O)OC2=O Amb24096405 [0,0,0,2,0,0|2,0,0]=4 798 B13R2.371 O=C1CCC(=O)C2CCCCN12 Amb18827181 [0,0,0,2,0,0|2,0,0]=4 799 B13R2.371 O=C1CNC(=O)C2N1CCCC2 Amb10073770 [0,0,0,2,0,0|2,0,0]=4 800 B13R2.371 O=C1CNC(=O)[C@@H]2CCCCN12 Amb25060247 [0,0,0,2,0,0|2,0,0]=4 801 B13R2.371 O=C1CNC(=O)[C@H]2CCCCN12 Amb25827169 [0,0,0,2,0,0|2,0,0]=4 802 B13R2.3328 OC(=O)C1CCC2CN1C(=O)O2 Amb25685391 [0,0,0,2,0,0|2,0,0]=4 803 B13R2.12973 OC(=O)C1=CCS[C@@H]2CC(=O)N12 Amb24710067 [0,0,0,2,0,0|0,0,2]=4 804 B13R2.12973 OC(=O)C1CCSC2CC(=O)N12 Amb24724705 [0,0,0,2,0,0|0,0,0]=2 805 B13R2.12973 OC(=O)C1CCS[C@@H]2CC(=O)N12 Amb25321955 [0,0,0,2,0,0|0,0,0]=2 806 B13R2.354 OC(=O)[C@@]12CC(=O)C[C@@H]1CCC2 Amb24634077 [0,0,0,2,0,0|2,0,0]=4 807 B13R2.7098 OC(=O)C1CC(=O)C2CCCC12 Amb25794463 [0,0,0,2,0,0|2,0,0]=4 808 B13R2.7098 OC(=O)[C@H]1NC(=O)C2CCCC12 Amb25039822 [0,0,0,2,0,0|1,0,0]=3 809 B13R2.12149 NC(=O)C1NC(=O)CC12CCC2 Amb24615961 [0,0,0,2,0,0|2,0,0]=4 810 B13R2.330 O=C1N[C@H]2CSSC[C@@H]1NC2=O Amb25236146 [0,0,0,2,0,0|2,0,0]=4 811 B13R2.7172 O=C1CNC(=O)C2(CCCC2)N1 Amb21937000 [0,0,0,2,0,0|2,0,0]=4 812 B13R2.3749 OC(=O)C1CCN2CCC(=O)C21 Amb24653632 [0,0,0,2,0,0|2,0,0]=4 813 B13R2.3749 OC(=O)[C@@H]1CSC2CCC(=O)N21 Amb25765787 [0,0,0,2,0,0|2,0,0]=4 814 B13R2.5097 CC1CCC2(CC(=O)C21)C(O)=O Amb25828402 [0,0,0,2,0,0|2,0,0]=4 815 B13R2.12850 C[C@]12CC(=O)N1[C@@H](CC2)C(O)=O Amb25343915 [0,0,0,2,0,0|1,0,0]=3 816 B9R0.33 CC(=C)C(OCC)C(O)=O Amb25770135 [1,0,0,0,1,0|2,0,0]=4 817 B9R0.33 CC(=O)C(CCC)C(N)=O Amb24744722 [1,0,0,0,1,0|1,0,0]=3 818 B9R0.33 CC(=O)C(CCO)C(C)=O Amb25706995 [1,0,0,0,1,0|1,1,0]=4 819 B9R0.33 CC(=O)C(CCO)C(N)=O Amb24447028 [1,0,0,0,1,0|1,1,0]=4 820 B9R0.33 CC(C)[C@@H](CCC)C(O)=O Amb24376843 [1,0,0,0,1,0|1,0,1]=4 821 B9R0.33 CCCC(C(=O)O)C(C)C Amb17616275 [1,0,0,0,1,0|1,0,1]=4 822 B9R0.33 CCCC(C(C)=O)C(C)=O Amb22734682 [1,0,0,0,1,0|1,0,0]=3 823 B9R0.33 CCCC(C(N)=O)C(N)=O Amb24380863 [1,0,0,0,1,0|2,0,0]=4 824 B9R0.33 CCC\C(=C(/C)\O)\C(C)=O Amb25833655 [1,0,0,0,1,0|1,0,1]=4 825 B9R0.33 CCSC(C(C)=O)C(C)=O Amb24509819 [1,0,0,0,1,0|2,0,0]=4 826 B9R0.33 CCSC(C(O)=O)C(O)=O Amb24524307 [1,0,0,0,1,0|2,0,0]=4 827 B9R0.33 COCC(C(C)=O)C(C)=O Amb25319898 [1,0,0,0,1,0|1,1,0]=4 828 B9R0.33 CSCC(C(O)=O)N(C)C Amb24373867 [1,0,0,0,1,0|2,0,0]=4 829 B9R0.33 CSC[C@H](C(O)=O)N(C)C Amb25692205 [1,0,0,0,1,0|2,0,0]=4 830 B9R0.33 C[C@@H](O)[C@@H](CCC)C(C)=O Amb24614825 [1,0,0,0,1,0|1,0,1]=4 831 B9R0.33 C[C@@H](O)[C@H](CCC)C(C)=O Amb24424917 [1,0,0,0,1,0|1,0,1]=4 832 B9R0.33 OC(=O)C(CCBr)C(O)=O Amb25062477 [1,0,0,0,1,0|2,0,0]=4 833 B13R0.1298 CC(C)CCNC(CCSC)C(O)=O Amb18119180 [0,0,0,0,0,2|1,0,1]=4