0 B12R0.138 CC(=O)C(CSC(C)=O)NC(C)=O Amb22460699 [0,0,0,0,0,0|3,0,0]=3 1 B12R0.138 CC(=O)NC(CCC(N)=O)C(N)=O Amb22730316 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.138 CC(=O)N[C@@H](CCC(O)=O)C(N)=O Amb22800330 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.138 CC(=O)N[C@@H](CCP(O)=O)C(O)=O Amb22396063 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.138 CC(=O)N[C@@H](CCS(C)=O)C(O)=O Amb22799513 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.138 CC(=O)N\C(=C\CC(O)=O)\C(O)=O Amb25188013 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.138 CC(=O)OCC(NC(C)C)C(O)=O Amb22484088 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.138 CC(=O)SCC(C(=O)O)NC(=O)C Amb17595479 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.138 CC(=O)SCC(CC(O)=O)C(O)=O Amb20668815 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.138 CC(=O)SC[C@@H](NC(C)=O)C(O)=O Amb19131710 [0,0,0,0,0,0|2,0,0]=2 10 B12R0.138 CC(C)CC(CCC(O)=O)C(O)=O Amb20668896 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.138 NC(=N)NC(CCC(O)=O)C(O)=O Amb22348167 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.138 NC(=N)N[C@@H](CCC(O)=O)C(O)=O Amb22801455 [0,0,0,0,0,0|3,0,0]=3 13 B12R0.138 NC(=N)N[C@@H](CCC(O)=O)C(O)=O Amb24325322 [0,0,0,0,0,0|3,0,0]=3 14 B12R0.138 NC(=O)CCC(C(=O)O)NC(=O)N Amb1042310 [0,0,0,0,0,0|1,0,0]=1 15 B12R0.138 OC(=O)CC(C(=O)O)CSC(=N)N Amb13881376 [0,0,0,0,0,0|4,0,0]=4 16 B12R0.138 OC(=O)CCC(C(=O)O)NC(=O)N Amb1152860 [0,0,0,0,0,0|2,0,0]=2 17 B12R0.138 OC(=O)CC[C@@H](C(=O)O)NC(=O)N Amb16232094 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.146 CCCC(C(=O)O)CCC(=O)O Amb17619597 [1,0,0,0,0,0|2,0,1]=4 19 B11R0.146 N=CNC(CCC(O)=O)C(O)=O Amb22732898 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.146 O=CNC(C(=O)O)CCC(=O)N Amb2582546 [1,0,0,0,0,0|0,0,0]=1 21 B11R0.160 CC(=O)NC(CCSC)C(O)=O Amb22734380 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.160 CC(=O)N[C@@H](CCCN)C(O)=O Amb22801209 [1,0,0,0,0,0|0,0,1]=2 23 B11R0.160 CC(=O)N[C@@H](CCSC)C(N)=O Amb22800241 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.160 CCCCC(NC(C)=O)C(C)=O Amb21961247 [1,0,0,0,0,0|2,0,1]=4 25 B11R0.160 CCSC[C@@H](C(=O)O)NC(=O)C Amb17607536 [1,0,0,0,0,0|2,0,1]=4 26 B11R0.160 COCCC(C(=O)O)NC(=O)C Amb13952178 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.160 CSCCC(C(=O)O)NC(=O)N Amb1107591 [1,0,0,0,0,0|3,0,0]=4 28 B13R0.253 CC(=O)N[C@@H](CCC(O)=O)C(=O)OC Amb22745968 [0,1,0,0,0,0|1,0,0]=2 29 B13R0.256 NC(=O)CCC(NC(=O)CF)C(O)=O Amb24081340 [0,1,0,0,0,0|0,0,0]=1 30 B13R0.256 NC(=O)CC[C@@H](NC(=O)CN)C(O)=O Amb22745260 [0,1,0,0,0,0|0,0,0]=1 31 B13R0.256 NC(=O)CC[C@@H](NC(=O)CN)C(O)=O Amb22747683 [0,1,0,0,0,0|0,0,0]=1 32 B13R0.256 NCC(=O)NC(CCC(O)=O)C(O)=O Amb22350006 [0,1,0,0,0,0|1,0,0]=2 33 B13R0.256 NCC(=O)N[C@@H](CCC(O)=O)C(O)=O Amb22801466 [0,1,0,0,0,0|1,0,0]=2 34 B13R0.256 NCC(=O)N[C@H](C(=O)O)CCC(=O)N Amb10807525 [0,1,0,0,0,0|0,0,0]=1 35 B13R0.256 OC(=O)CCC(NC(=O)CCl)C(O)=O Amb24093584 [0,1,0,0,0,0|1,0,0]=2 36 B13R0.256 OC(=O)CCC(NC(=O)CF)C(O)=O Amb24080660 [0,1,0,0,0,0|1,0,0]=2 37 B13R0.432 CC(=O)NC(CSC(=O)NC)C(O)=O Amb22352795 [0,1,0,0,0,0|1,0,0]=2 38 B13R0.432 CNC(=O)SC[C@@H](C(=O)O)NC(=O)C Amb17607603 [0,1,0,0,0,0|1,0,0]=2 39 B13R0.432 ClC=C(SC[C@@H](C(=O)O)NC(=O)C)Cl Amb17607507 [0,1,0,0,0,0|3,0,0]=4 40 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(O)=O Amb23443355 [0,1,0,0,0,0|2,0,1]=4 41 B13R0.630 CC(=O)NC(CCC(F)(F)F)C(O)=O Amb22756947 [0,1,0,0,0,0|2,0,1]=4 42 B13R0.630 CC(=O)NC(CCP(C)([O-])=O)C([O-])=O Amb22054222 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.1418 OC(=O)CCC(C(=O)O)NS(=O)(=O)C Amb17466622 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.126 OC(=O)C1CC(=O)CC(C1)C(O)=O Amb22499038 [0,0,0,1,0,0|2,0,0]=3 45 B13R1.126 OC(=O)C1CC(=O)CC(N1)C(O)=O Amb18821779 [0,0,0,1,0,0|3,0,0]=4 46 B13R1.126 OC(=O)C1CC(=O)CC(O1)C(O)=O Amb24651041 [0,0,0,1,0,0|3,0,0]=4 47 B13R1.126 OC(=O)C1CC(NC(=O)N1)C(O)=O Amb25232632 [0,0,0,1,0,0|2,0,0]=3 48 B13R1.126 OC(=O)[C@H]1CC(=O)C[C@H](C1)C(O)=O Amb25752170 [0,0,0,1,0,0|2,0,0]=3 49 B13R1.126 OC(=O)[C@H]1C[C@H](NC(=O)N1)C(O)=O Amb25320911 [0,0,0,1,0,0|2,0,0]=3 50 B13R1.138 OC(=O)CC1CC(OC1=O)C(O)=O Amb25700982 [0,0,0,1,0,0|3,0,0]=4 51 B13R1.165 CC(=O)N1CC(C)CCC1C(O)=O Amb25108643 [0,0,0,1,0,0|2,0,1]=4 52 B13R1.165 NC(=O)N1CC(=O)NCC1C(O)=O Amb25062170 [0,0,0,1,0,0|3,0,0]=4 53 B13R1.165 OC(=O)[C@H]1CCC(=O)C[C@H]1C(O)=O Amb25264131 [0,0,0,1,0,0|3,0,0]=4 54 B13R1.784 CC1=CCC(=O)NC(CS1)C(O)=O Amb24418033 [0,0,0,1,0,0|3,0,0]=4 55 B13R1.784 CC1=CCC(=O)N[C@@H](CS1)C(O)=O Amb24490426 [0,0,0,1,0,0|3,0,0]=4 56 B13R1.893 NC(=O)CCN1NC(=O)C=CC1=O Amb19068166 [0,0,0,1,0,0|2,0,1]=4 57 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O Amb22757065 [0,0,0,1,0,0|1,0,0]=2 58 B13R1.893 OC(=O)CCC1CC(=O)CCC1=O Amb18129341 [0,0,0,1,0,0|3,0,0]=4 59 B13R1.893 OC(=O)CCC1NC(=O)CNC1=O Amb24677894 [0,0,0,1,0,0|2,0,0]=3 60 B13R1.893 OC(=O)CCC1NC(=O)CSC1=O Amb25706915 [0,0,0,1,0,0|1,1,0]=3 61 B13R1.893 OC(=O)CC[C@@H]1NC(=O)CNC1=O Amb22799942 [0,0,0,1,0,0|2,0,0]=3 62 B13R1.893 OC(=O)CC[C@@H]1NC(=O)CSC1=O Amb25237560 [0,0,0,1,0,0|1,1,0]=3 63 B13R1.1012 CC(=O)N1C(CC1C(O)=O)C(O)=O Amb25725038 [0,0,0,1,0,0|1,0,0]=2 64 B13R1.1012 CC(=O)N1[C@H](C[C@H]1C(O)=O)C(O)=O Amb25108347 [0,0,0,1,0,0|1,0,0]=2 65 B13R1.1012 OC(=O)C1C(CC1C(O)=O)C(O)=O Amb24355317 [0,0,0,1,0,0|3,0,0]=4 66 B13R1.2018 CC1(C)CCC1(NC(C)=O)C(O)=O Amb24636469 [0,0,0,1,0,0|2,0,1]=4 67 B13R1.2023 CC(=O)N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24602435 [0,0,0,1,0,0|1,0,0]=2 68 B13R1.3487 OC(=O)CC1CC(=O)NC1C(O)=O Amb25758686 [0,0,0,1,0,0|1,0,0]=2 69 B13R1.3487 OC(=O)CC1CC(=O)OC1C(O)=O Amb17778124 [0,0,0,1,0,0|2,0,0]=3 70 B13R1.3487 OC(=O)C[C@H]1CC(=O)N[C@H]1C(O)=O Amb25266829 [0,0,0,1,0,0|1,0,0]=2 71 B13R1.3487 OC(=O)[C@@H]1NC(=O)O[C@H]1CC(O)=O Amb25179099 [0,0,0,1,0,0|2,0,0]=3 72 B13R1.5889 CC(=O)NC1(CCC(=O)O1)C(O)=O Amb25685375 [0,0,0,1,0,0|1,0,0]=2 73 B13R1.5889 CC(=O)NC1(CN(C)CC1)C(O)=O Amb25744654 [0,0,0,1,0,0|3,0,0]=4 74 B13R1.5889 OC(=O)CC1(CCC(=O)O1)C(O)=O Amb22899792 [0,0,0,1,0,0|3,0,0]=4 75 B11R0.28 OC(=O)CCC(C(=O)O)C(C)C Amb10553099 [0,0,0,0,1,0|2,0,1]=4 76 B11R0.28 OC(=O)CCN(C(=O)C)C(=O)C Amb17232927 [0,0,0,0,1,0|3,0,0]=4 77 B11R0.32 CC(=O)C(NC(C)=O)NC(C)=O Amb25161376 [0,0,0,0,1,0|3,0,0]=4 78 B11R0.32 CC(=O)NC(CC(O)=O)C(N)=O Amb21811914 [0,0,0,0,1,0|2,0,0]=3 79 B11R0.32 CC(=O)NC(CC([O-])=O)C([O-])=O Amb22334841 [0,0,0,0,1,0|1,0,1]=3 80 B11R0.32 CC(=O)NC(NC(C)=O)C(O)=O Amb25101652 [0,0,0,0,1,0|2,0,0]=3 81 B11R0.32 CC(=O)N[C@@H](CC(C)=C)C(O)=O Amb22801708 [0,0,0,0,1,0|2,0,0]=3 82 B11R0.32 CC(=O)N[C@@H](CC(O)=O)C(N)=O Amb19374681 [0,0,0,0,1,0|2,0,0]=3 83 B11R0.32 CC(CC(C(=O)O)NC(=O)C)C Amb1118665 [0,0,0,0,1,0|2,0,1]=4 84 B11R0.32 NC(=N)NC(CC(O)=O)C(O)=O Amb22349845 [0,0,0,0,1,0|3,0,0]=4 85 B11R0.32 NC(=N)N[C@@H](CC(O)=O)C(O)=O Amb22801189 [0,0,0,0,1,0|3,0,0]=4 86 B11R0.32 NC(=O)C(CC(N)=O)CC(N)=O Amb24323398 [0,0,0,0,1,0|3,0,0]=4 87 B11R0.32 NC(=O)CC(C(=O)O)NC(=O)C Amb1118662 [0,0,0,0,1,0|0,0,0]=1 88 B11R0.32 NC(=O)CC(C(=O)O)NC(=O)N Amb1066530 [0,0,0,0,1,0|1,0,0]=2 89 B11R0.32 OC(=O)CC(C(=O)O)NC(=O)N Amb2222280 [0,0,0,0,1,0|2,0,0]=3 90 B11R0.32 OC(=O)C[C@H](C(=O)O)NC(=O)C Amb10072238 [0,0,0,0,1,0|1,0,0]=2 91 B11R0.32 [O-]P(=O)CC(C(=O)[O-])NC(=O)C Amb1035191 [0,0,0,0,1,0|2,0,1]=4 92 B13R0.443 CC(=O)N[C@H](C(=O)O)CSC=C(Cl)Cl Amb17607505 [0,0,0,0,0,1|2,0,1]=4 93 B13R0.443 CC(CSC[C@@H](C(=O)O)NC(=O)C)O Amb17607573 [0,0,0,0,0,1|1,0,2]=4 94 B10R0.96 CC(=O)CCC(C)NC(C)=O Amb25385797 [2,0,0,0,0,0|1,0,1]=4 95 B10R0.84 CCC(C(=O)O)CCC(=O)O Amb10552864 [2,0,0,0,0,0|1,0,1]=4 96 B10R0.84 CCC(C(=O)O)SCC(=O)N Amb17501319 [2,0,0,0,0,0|1,0,1]=4 97 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [2,0,0,0,0,0|1,0,0]=3 98 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [2,0,0,0,0,0|1,0,0]=3 99 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [2,0,0,0,0,0|0,0,0]=2 100 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [2,0,0,0,0,0|1,0,0]=3 101 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [2,0,0,0,0,0|1,0,0]=3 102 B10R0.84 C\C=C(\CCC(O)=O)/C(O)=O Amb25386289 [2,0,0,0,0,0|1,0,1]=4 103 B10R0.88 CCCC[C@@H](NC=O)C(O)=O Amb22799714 [2,0,0,0,0,0|1,0,1]=4 104 B10R0.88 CSCC[C@@H](C(=O)O)NC=O Amb16232222 [2,0,0,0,0,0|2,0,0]=4 105 B10R0.88 CSCC[C@@H](NC=O)C(O)=O Amb18180656 [2,0,0,0,0,0|2,0,0]=4 106 B10R0.88 N#CCCC(NC=O)C(O)=O Amb25386038 [2,0,0,0,0,0|0,0,2]=4 107 B10R0.23 CC(=O)C(CC=C)NC(C)=O Amb25383492 [2,0,0,0,0,0|1,0,1]=4 108 B10R0.23 CC(=O)NC(CC#C)C(O)=O Amb19929448 [2,0,0,0,0,0|0,0,2]=4 109 B10R0.23 CC(=O)NC(CC=O)C(O)=O Amb24105950 [2,0,0,0,0,0|0,0,0]=2 110 B10R0.23 CC(=O)NC(CCCl)C(O)=O Amb25385679 [2,0,0,0,0,0|1,0,0]=3 111 B10R0.23 CC(=O)NC(CCS)C(O)=O Amb18127932 [2,0,0,0,0,0|0,1,0]=3 112 B10R0.23 CC(=O)NC(CNO)C(O)=O Amb25381561 [2,0,0,0,0,0|1,0,1]=4 113 B10R0.23 CC(=O)NC(CSCl)C(O)=O Amb25383450 [2,0,0,0,0,0|2,0,0]=4 114 B10R0.23 CC(=O)NC(OCC)C(O)=O Amb24092463 [2,0,0,0,0,0|1,0,1]=4 115 B10R0.23 CC(=O)NC(\C=C/C)C(O)=O Amb18126048 [2,0,0,0,0,0|1,0,1]=4 116 B10R0.23 CC(=O)NC(\C=C\C)C(O)=O Amb24655979 [2,0,0,0,0,0|1,0,1]=4 117 B10R0.23 CC(=O)N[C@@H](C(=O)O)CC=C Amb16182994 [2,0,0,0,0,0|0,0,1]=3 118 B10R0.23 CC(=O)N[C@@H](CC=C)C(O)=O Amb24270992 [2,0,0,0,0,0|0,0,1]=3 119 B10R0.23 CC(=O)N[C@@H](CCN)C(O)=O Amb25384051 [2,0,0,0,0,0|0,0,0]=2 120 B10R0.23 CC(=O)N[C@@H](CNC)C(O)=O Amb25383164 [2,0,0,0,0,0|1,0,1]=4 121 B10R0.23 CC(=O)N[C@H](CC#C)C(O)=O Amb25798940 [2,0,0,0,0,0|0,0,2]=4 122 B10R0.23 CCCC(NC(C)=O)C(C)=O Amb25384460 [2,0,0,0,0,0|1,0,1]=4 123 B10R0.23 CCC[C@H](NC(N)=O)C(O)=O Amb25385025 [2,0,0,0,0,0|1,0,1]=4 124 B10R0.23 CSC[C@@H](C(=O)O)NC(=O)C Amb17607605 [2,0,0,0,0,0|1,0,1]=4 125 B10R0.23 NC(=O)NC(CCN)C(O)=O Amb25383440 [2,0,0,0,0,0|1,0,0]=3 126 B10R0.23 NC(=O)NC(CCO)C(O)=O Amb18305492 [2,0,0,0,0,0|1,0,1]=4 127 B10R0.23 NC(=O)N[C@H](CCO)C(O)=O Amb25383714 [2,0,0,0,0,0|1,0,1]=4 128 B10R0.23 NCCC(NC(O)=O)C(O)=O Amb24091186 [2,0,0,0,0,0|1,0,0]=3 129 B12R0.55 O=C\N=N/C(C(=O)O)CCC(=O)O Amb17614618 [1,1,0,0,0,0|1,0,1]=4 130 B12R0.120 CC(=O)NC(C(=O)O)CCCCN Amb16227243 [1,1,0,0,0,0|0,0,1]=3 131 B12R0.120 CC(=O)N[C@H](C(=O)O)CSCC=C Amb17607405 [1,1,0,0,0,0|1,0,0]=3 132 B12R0.120 CCCSC[C@@H](C(=O)O)NC(=O)C Amb17607397 [1,1,0,0,0,0|1,0,1]=4 133 B12R0.129 CCCCC(NC(=O)CCl)C(O)=O Amb24093583 [1,1,0,0,0,0|1,0,1]=4 134 B12R0.129 CCCC[C@@H](NC(=O)OC)C(O)=O Amb22749017 [1,1,0,0,0,0|1,0,1]=4 135 B12R0.129 CCCC[C@H](C(=O)O)NC(=O)CCl Amb10842256 [1,1,0,0,0,0|1,0,1]=4 136 B12R0.129 CSCCC(C(=O)O)NC(=O)CC Amb1111725 [1,1,0,0,0,0|2,0,0]=4 137 B12R0.129 CSCCC(NC(=O)CCl)C(O)=O Amb24093581 [1,1,0,0,0,0|2,0,0]=4 138 B12R0.129 CSCC[C@@H](NC(=O)CN)C(O)=O Amb22801020 [1,1,0,0,0,0|2,0,0]=4 139 B12R0.247 CSCCC(C(=O)OC)NC(=O)C Amb17607599 [1,1,0,0,0,0|2,0,0]=4 140 B12R0.247 CSCC[C@@H](C(=O)OC)NC(=O)C Amb15691928 [1,1,0,0,0,0|2,0,0]=4 141 B12R0.146 COC(=O)CCC(C(=O)C)C(=O)C Amb1153582 [0,1,0,0,1,0|2,0,0]=4 142 B12R0.339 NC(CC(C(O)=O)C(O)=O)C(O)=O Amb22361222 [0,1,0,0,1,0|2,0,0]=4 143 B12R0.395 OC(=O)CCC(C(=O)O)(C(=O)O)C Amb10552865 [0,1,0,0,1,0|2,0,0]=4 144 B12R0.395 OC(=O)CCC(O)(C(O)=O)C(O)=O Amb22348378 [0,1,0,0,1,0|2,0,0]=4 145 B12R0.180 CC(=O)N[C@@H](CC(O)=O)C(=O)OC Amb22800827 [0,1,0,0,1,0|1,0,0]=3 146 B12R0.180 COC(=O)C(OC(=O)C)CC(=O)O Amb17617128 [0,1,0,0,1,0|2,0,0]=4 147 B12R0.180 COC(=O)[C@@H](OC(=O)C)CC(=O)O Amb17617129 [0,1,0,0,1,0|2,0,0]=4 148 B12R0.393 NC(=O)CC(C(=O)O)NS(=O)(=O)C Amb1111608 [0,1,0,0,1,0|1,0,0]=3 149 B12R0.393 OC(=O)CC(C(=O)O)NS(=O)(=O)C Amb17466623 [0,1,0,0,1,0|2,0,0]=4 150 B12R0.694 CC(NC(N)=O)(NC(N)=O)C(O)=O Amb20001065 [0,1,0,0,1,0|2,0,0]=4 151 B14R0.1418 C[C@@H](N)C(=O)N[C@H](CCC(N)=O)C(O)=O Amb22745592 [0,1,0,0,0,1|1,0,1]=4 152 B14R0.1418 C[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)Cl Amb16191892 [0,1,0,0,0,1|1,0,1]=4 153 B14R0.1624 CC(=O)N[C@@H](CSCC(=C)Br)C(=O)OC Amb24220879 [0,1,0,0,0,1|2,0,0]=4 154 B14R0.1624 CC(=O)N[C@@H](CSCC(=C)Cl)C(=O)OC Amb24220857 [0,1,0,0,0,1|2,0,0]=4 155 B14R0.123 CCOC(=O)[C@@H](CSC(C)=O)NC(C)=O Amb22756659 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.11 CCC1CC(CC(=O)N1)C(N)=O Amb25856245 [1,0,0,1,0,0|1,0,1]=4 157 B12R1.65 NC(=O)CC1CC(=O)NC1CO Amb25843719 [1,0,0,1,0,0|0,0,1]=3 158 B12R1.65 NC(=O)C[C@H]1CC(=O)N[C@@H]1CO Amb24512089 [1,0,0,1,0,0|0,0,1]=3 159 B12R1.226 NC(=O)CCC1CCCC(=O)N1 Amb25151126 [1,0,0,1,0,0|1,0,1]=4 160 B12R1.233 CC(=O)CC1CNC(=O)NC1=O Amb25375809 [1,0,0,1,0,0|2,0,0]=4 161 B12R1.233 CC(=O)NC1CCC(=O)NC1=O Amb24682600 [1,0,0,1,0,0|0,0,0]=2 162 B12R1.233 CC(=O)NC1CCC(=O)NC1C Amb25725183 [1,0,0,1,0,0|1,0,1]=4 163 B12R1.233 CC(=O)NC1CCC(=O)OC1=O Amb25234120 [1,0,0,1,0,0|1,0,0]=3 164 B12R1.233 CC(=O)OC1CCC(=O)CC1=O Amb25370587 [1,0,0,1,0,0|2,0,0]=4 165 B12R1.233 NC(=O)NC1CCC(=O)NC1=O Amb25150073 [1,0,0,1,0,0|1,0,0]=3 166 B12R1.233 [O-]C(=O)CC1CCC(=O)NC1=O Amb25766659 [1,0,0,1,0,0|2,0,0]=4 167 B12R1.389 CC(=O)NC1CC(C=C1)C(O)=O Amb18647131 [1,0,0,1,0,0|2,0,0]=4 168 B12R1.389 CC(=O)N[C@@H]1C[C@@H](C=C1)C(O)=O Amb24670477 [1,0,0,1,0,0|2,0,0]=4 169 B12R1.389 CC(=O)N[C@H]1C[C@H](C=C1)C(O)=O Amb24652353 [1,0,0,1,0,0|2,0,0]=4 170 B12R1.861 NC(=O)CCC1NC(=S)SC1=O Amb25826944 [1,0,0,1,0,0|1,1,0]=4 171 B12R1.861 NC(=O)CC[C@@H]1NC(=O)OC1=O Amb22226708 [1,0,0,1,0,0|1,0,0]=3 172 B12R1.861 NC(=O)NCC1NC(=O)NC1=O Amb24440948 [1,0,0,1,0,0|2,0,0]=4 173 B12R1.861 NC(=O)NC[C@@H]1NC(=O)NC1=O Amb25361047 [1,0,0,1,0,0|2,0,0]=4 174 B12R1.861 OC(=O)CCC1NC(=O)NC1=O Amb2500868 [1,0,0,1,0,0|2,0,0]=4 175 B12R1.861 OC(=O)CCC1NC(=O)OC1=O Amb25700913 [1,0,0,1,0,0|2,0,0]=4 176 B12R1.861 OC(=O)CC[C@@H]1NC(=O)NC1=O Amb19517081 [1,0,0,1,0,0|2,0,0]=4 177 B12R1.861 OC(=O)CC[C@@H]1NC(=O)OC1=O Amb25774949 [1,0,0,1,0,0|2,0,0]=4 178 B12R1.111 OC(=O)[C@@H]1CC(C(=O)N1)C(O)=O Amb24341554 [1,0,0,1,0,0|1,0,0]=3 179 B12R1.213 CC(=O)NC1C(NC1=O)C(O)=O Amb25708498 [1,0,0,1,0,0|2,0,0]=4 180 B12R1.213 C[C@@H]1N[C@@H]([C@H]1CC(O)=O)C(O)=O Amb24693987 [1,0,0,1,0,0|1,0,1]=4 181 B12R1.258 NC(=O)C1CC(CCN1)C(N)=O Amb20667650 [1,0,0,1,0,0|1,0,1]=4 182 B12R1.258 NC(=O)C1CCCC(C1)C(O)=O Amb19148720 [1,0,0,1,0,0|1,0,1]=4 183 B12R1.258 NC(=O)C1CNCC(C1)C(O)=O Amb25156601 [1,0,0,1,0,0|2,0,0]=4 184 B12R1.258 OC(=O)C1CC(CC=C1)C(O)=O Amb25108620 [1,0,0,1,0,0|2,0,0]=4 185 B12R1.258 OC(=O)C1CC(CCN1)C(O)=O Amb18647703 [1,0,0,1,0,0|1,0,1]=4 186 B12R1.258 OC(=O)[C@@H]1CCN[C@@H](C1)C(=O)O Amb13885721 [1,0,0,1,0,0|1,0,1]=4 187 B12R1.258 OC(=O)[C@@H]1C[C@@H](CC=C1)C(O)=O Amb25109542 [1,0,0,1,0,0|2,0,0]=4 188 B12R1.258 OC(=O)[C@@H]1C[C@H](CC=C1)C(O)=O Amb25210817 [1,0,0,1,0,0|2,0,0]=4 189 B12R1.258 OC(=O)[C@H]1C[C@@H](CC=C1)C(O)=O Amb25766013 [1,0,0,1,0,0|2,0,0]=4 190 B12R1.258 OC(=O)[C@H]1C[C@@H](CCN1)C(O)=O Amb24519628 [1,0,0,1,0,0|1,0,1]=4 191 B12R1.258 OC(=O)[C@H]1C[C@H](CCN1)C(O)=O Amb24672560 [1,0,0,1,0,0|1,0,1]=4 192 B12R1.392 NC(=O)CC1CCCC1C(O)=O Amb24356704 [1,0,0,1,0,0|1,0,1]=4 193 B12R1.392 NC(=O)C[C@@H]1CCC[C@H]1C(O)=O Amb25233434 [1,0,0,1,0,0|1,0,1]=4 194 B12R1.392 OC(=O)CC1CCNC1C(O)=O Amb18127007 [1,0,0,1,0,0|1,0,1]=4 195 B12R1.392 OC(=O)C[C@H]1CCNC1C(O)=O Amb25069554 [1,0,0,1,0,0|1,0,1]=4 196 B12R1.392 OC(=O)C[C@H]1CCN[C@@H]1C(O)=O Amb25326507 [1,0,0,1,0,0|1,0,1]=4 197 B12R1.1218 OC(=O)C1CCC(=O)OC(=O)N1 Amb25108106 [1,0,0,1,0,0|1,0,0]=3 198 B12R1.1493 C=CC[C@@]1(CCC(=O)N1)C(O)=O Amb24386085 [1,0,0,1,0,0|1,0,1]=4 199 B12R1.261 CC(=O)N1C=CSCC1C(O)=O Amb24634166 [1,0,0,1,0,0|2,0,0]=4 200 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb1113381 [1,0,0,1,0,0|1,0,1]=4 201 B12R1.261 CC(=O)N1CCCC[C@@H]1C(O)=O Amb25715695 [1,0,0,1,0,0|1,0,1]=4 202 B12R1.261 CC(=O)N1CCCC[C@H]1C(O)=O Amb25336488 [1,0,0,1,0,0|1,0,1]=4 203 B12R1.276 CCCC1CC(=O)NC1C(O)=O Amb25732823 [1,0,0,1,0,0|1,0,1]=4 204 B12R1.374 NCCCC1NC(=O)CNC1=O Amb25835027 [1,0,0,1,0,0|1,0,1]=4 205 B12R1.374 NCCC[C@@H]1NC(=O)CNC1=O Amb25152510 [1,0,0,1,0,0|1,0,1]=4 206 B12R1.427 CC(=O)NC1(CC1CO)C(O)=O Amb25764366 [1,0,0,1,0,0|0,0,2]=4 207 B12R1.427 CC(=O)N[C@@]1(C[C@@H]1CO)C(O)=O Amb24546436 [1,0,0,1,0,0|0,0,2]=4 208 B12R1.498 CC(=O)N1C(=O)CCN1C(C)=O Amb24062254 [1,0,0,1,0,0|2,0,0]=4 209 B12R1.498 CC(=O)N1C(CCC1=O)C(=O)Cl Amb24399248 [1,0,0,1,0,0|1,0,0]=3 210 B12R1.498 CC(=O)N1C(CCC1=O)C(C)=O Amb25034653 [1,0,0,1,0,0|1,0,0]=3 211 B12R1.498 CC(=O)N1C(COC1=O)C(O)=O Amb25689513 [1,0,0,1,0,0|1,0,0]=3 212 B12R1.498 CC(=O)N1[C@@H](CCC1=O)C(O)=O Amb24635710 [1,0,0,1,0,0|0,0,0]=2 213 B12R1.498 CC(C)N1[C@@H](CCC1=O)C(O)=O Amb25294494 [1,0,0,1,0,0|1,0,1]=4 214 B12R1.498 NC(=N)N1C(CCC1=O)C(O)=O Amb24439523 [1,0,0,1,0,0|2,0,0]=4 215 B12R1.498 OC(=O)C1CCC(=O)N1C(=O)C Amb17334836 [1,0,0,1,0,0|0,0,0]=2 216 B12R1.871 CC(=O)NC1(CCC1=C)C(O)=O Amb24390254 [1,0,0,1,0,0|1,0,0]=3 217 B12R1.871 CC(=O)N[C@@]1(CC[C@@H]1C)C(O)=O Amb25227462 [1,0,0,1,0,0|1,0,1]=4 218 B12R1.1813 CC(=O)N[C@H](C1CCC1)C(O)=O Amb22641895 [1,0,0,1,0,0|1,0,1]=4 219 B12R1.3171 CC(=O)NC1(CSCC1)C(O)=O Amb18956249 [1,0,0,1,0,0|2,0,0]=4 220 B12R1.3579 CC(=O)NC(CC1CC1)C(O)=O Amb22489683 [1,0,0,1,0,0|1,0,1]=4 221 B12R1.3579 CC(=O)N[C@@H](CC1CC1)C(O)=O Amb22747004 [1,0,0,1,0,0|1,0,1]=4 222 B12R1.895 CC(=O)CCC1C(=O)CCC1=O Amb19134320 [0,0,0,1,1,0|2,0,0]=4 223 B12R1.895 NC(=O)CCN1C(=O)NCC1=O Amb18806833 [0,0,0,1,1,0|2,0,0]=4 224 B12R1.1337 CC1(C)[C@@H](C[C@@H]1C(N)=O)C(O)=O Amb24710210 [0,0,0,1,1,0|1,0,1]=4 225 B12R1.1380 OC(=O)C1CC1(C(=O)O)C(=O)O Amb1199910 [0,0,0,1,1,0|2,0,0]=4 226 B12R1.3802 OC(=O)C1(CC(=O)CC1)C(O)=O Amb25299444 [0,0,0,1,1,0|2,0,0]=4 227 B12R1.127 CC(=O)NC1CC(=O)NOC1=O Amb24411568 [0,0,0,1,1,0|0,0,0]=2 228 B12R1.127 CC=1NC(CC(N)=O)C(=O)NN1 Amb17968288 [0,0,0,1,1,0|2,0,0]=4 229 B12R1.127 NC(=O)C[C@@H]1NC(=O)CNC1=O Amb25151043 [0,0,0,1,1,0|1,0,0]=3 230 B12R1.127 OC(=O)C[C@@H]1NC(=O)CNC1=O Amb22800920 [0,0,0,1,1,0|2,0,0]=4 231 B12R1.850 CC(=O)N1CC(=S)CC1C(O)=O Amb24566181 [0,0,0,1,1,0|1,1,0]=4 232 B12R1.850 CC(=O)N1CC(=S)C[C@H]1C(O)=O Amb24693844 [0,0,0,1,1,0|1,1,0]=4 233 B12R1.850 CC(=O)N1CS(=O)C[C@@H]1C(O)=O Amb24390255 [0,0,0,1,1,0|2,0,0]=4 234 B12R1.850 CC(=O)N1NC(=O)CC1C(O)=O Amb18647579 [0,0,0,1,1,0|0,0,0]=2 235 B12R1.850 NC(=O)C1CC(=O)NC1C(O)=O Amb25159599 [0,0,0,1,1,0|0,0,0]=2 236 B12R1.850 NC(=O)[C@@H]1CC(=O)N[C@H]1C(O)=O Amb25321013 [0,0,0,1,1,0|0,0,0]=2 237 B12R1.850 O=C1CC(N(C1)C(=O)C)C(=O)O Amb17334835 [0,0,0,1,1,0|1,0,0]=3 238 B12R1.850 OC(=O)C1CC(=O)NC1C(O)=O Amb24724568 [0,0,0,1,1,0|1,0,0]=3 239 B12R1.850 OC(=O)C1CC(=O)N[C@@H]1C(O)=O Amb25269453 [0,0,0,1,1,0|1,0,0]=3 240 B12R1.850 OC(=O)C1CC(=O)OC1C(O)=O Amb17678843 [0,0,0,1,1,0|2,0,0]=4 241 B12R1.850 OC(=O)[C@@H]1CC(=O)C[C@H]1C(O)=O Amb25168932 [0,0,0,1,1,0|2,0,0]=4 242 B12R1.850 OC(=O)[C@@H]1CC(=O)O[C@H]1C(O)=O Amb25347174 [0,0,0,1,1,0|2,0,0]=4 243 B12R1.850 OC(=O)[C@H]1CC(=O)N[C@H]1C(O)=O Amb25201491 [0,0,0,1,1,0|1,0,0]=3 244 B12R1.850 OC(=O)[C@H]1NC(=O)N[C@H]1C(O)=O Amb24442956 [0,0,0,1,1,0|2,0,0]=4 245 B12R1.850 OC(=O)[C@H]1NC(=O)O[C@H]1C(O)=O Amb25314550 [0,0,0,1,1,0|2,0,0]=4 246 B12R1.3005 CC1(C)NC(=O)CC(N1)C(O)=O Amb24358038 [0,0,0,1,1,0|1,0,1]=4 247 B12R1.3005 OC(=O)C1CP(=O)(S)CC(=O)N1 Amb24401655 [0,0,0,1,1,0|2,0,0]=4 248 B14R1.6375 OC(=O)[C@@H]1C[C@H](N[C@@H]1C(O)=O)C(O)=O Amb24513250 [0,0,0,1,0,1|2,0,0]=4 249 B14R1.1502 NC(=O)NC1(CCC1C(O)=O)C(O)=O Amb24521281 [0,0,0,1,0,1|2,0,0]=4 250 B14R1.4274 CC(=O)NC(C1CC(=O)CC1)C(O)=O Amb24622409 [0,0,0,1,0,1|1,0,0]=3 251 B14R1.4274 CC(=O)NC(C1CNC(=O)O1)C(C)=O Amb24374034 [0,0,0,1,0,1|2,0,0]=4 252 B14R1.6401 CC(=O)N1C(CSC1C(O)=O)C(O)=O Amb25743012 [0,0,0,1,0,1|1,0,0]=3 253 B14R1.6401 NC(=O)C=1CCC(C1C(O)=O)C(O)=O Amb24348066 [0,0,0,1,0,1|2,0,0]=4 254 B14R1.13264 CC(=O)O[C@@H]1COC(=O)[C@@H]1NC(C)=O Amb25229103 [0,1,0,1,0,0|2,0,0]=4 255 B14R1.14211 NC1C(CC(NC1=O)C(O)=O)C(O)=O Amb25313086 [0,1,0,1,0,0|1,0,0]=3 256 B14R1.712 COC(=O)[C@@H]1CC(CC(=O)N1)C(=O)S Amb24381505 [0,1,0,1,0,0|1,0,0]=3 257 B14R1.3150 CN1CC(=O)NC(CCC(O)=O)C1=O Amb25682402 [0,1,0,1,0,0|2,0,0]=4 258 B14R1.707 COC(=O)N1CC(=O)NCC1C(O)=O Amb25308480 [0,1,0,1,0,0|2,0,0]=4 259 B14R1.4353 CC1C(CC(O)=O)C(OC1=O)C(O)=O Amb25063136 [0,1,0,1,0,0|2,0,0]=4 260 B14R1.6036 C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC1=O Amb24621799 [0,1,0,1,0,0|1,0,0]=3 261 B14R1.6036 C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC1=O Amb22747873 [0,1,0,1,0,0|2,0,0]=4 262 B14R1.7748 CC(=O)NC1CC(OC1=O)C(=O)OC Amb24402140 [0,1,0,1,0,0|1,0,0]=3 263 B14R1.15555 CC1(CC(CC(=O)O1)C(O)=O)C(O)=O Amb25743000 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.8416 NC(=O)C12CCC(=O)N1CC(=O)N2 Amb24101783 [0,0,0,2,0,0|1,0,0]=3 265 B14R2.8416 OC(=O)C12CCC(=O)N1CC(=O)N2 Amb24101784 [0,0,0,2,0,0|0,0,0]=2 266 B10R0.70 CC(=O)NC(CC(C)=O)C=C Amb25384399 [1,0,0,0,1,0|2,0,0]=4 267 B10R0.70 CC(=O)NC(CC(O)=O)CO Amb25386029 [1,0,0,0,1,0|1,0,1]=4 268 B10R0.17 CC(=O)\C(\CCC=O)=C(/C)\O Amb25384549 [1,0,0,0,1,0|1,0,1]=4 269 B10R0.162 CC(=C)C(CC(O)=O)C(O)=O Amb18644989 [0,0,0,0,2,0|2,0,0]=4 270 B10R0.162 NC(=O)NC(C(O)=O)C(O)=O Amb24407242 [0,0,0,0,2,0|2,0,0]=4 271 B14R0.2681 CC(=O)N[13CH]([13CH2]SCCC(O)=O)[13C](O)=O Amb22054197 [0,0,0,0,0,2|1,0,0]=3 272 B14R0.2681 CC(=O)N[C@@H](CCCNC(N)=N)C(N)=O Amb22801707 [0,0,0,0,0,2|2,0,0]=4 273 B14R0.2681 NC(=O)NCCC[C@@H](C(=O)O)NC(=O)C Amb16232063 [0,0,0,0,0,2|0,0,0]=2 274 B14R0.2681 OC(=O)CCSC[C@@H](C(=O)O)NC(=O)C Amb17607400 [0,0,0,0,0,2|1,0,0]=3