0 B11R0.32 C=C(C)CC(NC(C)=O)C(=O)O Amb6334605 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.32 C=C(C)C[C@H](NC(C)=O)C(=O)O Amb22801708 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.32 C=C(Cl)CC(NC(C)=O)C(=O)O Amb33065887 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.32 CC(=O)C(CC(=O)O)NC(C)C Amb18610978 [0,0,0,0,0,0|4,0,0]=4 4 B11R0.32 CC(=O)C(CC(C)C)CN(C)C Amb22235887 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.32 CC(=O)CC(NC(C)=O)C(=O)O Amb32679425 [0,0,0,0,0,0|1,0,1]=2 6 B11R0.32 CC(=O)N(CC(=O)O)CC(C)C Amb17400383 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O Amb3499381 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.32 CC(=O)NC(CC(=O)O)C(N)=O Amb21811914 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Amb2543580 [0,0,0,0,0,0|0,0,0]=0 10 B11R0.32 CC(=O)NC(CC(C)C)C(C)=O Amb17594289 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.32 CC(=O)NC(CC(C)O)C(=O)O Amb33308548 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.32 CC(=O)NC(CC(F)F)C(=O)O Amb33042687 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.32 CC(=O)NC(CC(N)=O)C(=O)O Amb1118662 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.32 CC(=O)NC(NC(C)=O)C(N)=O Amb28137993 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Amb8628593 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(N)=O Amb19374681 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Amb2722946 [0,0,0,0,0,0|0,0,0]=0 18 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(N)=O Amb4006834 [0,0,0,0,0,0|1,0,0]=1 19 B11R0.32 CC(=O)N[C@@H](CC(N)=O)C(=O)O Amb2755870 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Amb2732384 [0,0,0,0,0,0|0,0,0]=0 21 B11R0.32 CC(=O)N[C@H](CC(N)=O)C(=O)O Amb2732381 [0,0,0,0,0,0|2,0,1]=3 22 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O Amb33072394 [0,0,0,0,0,0|2,0,0]=2 23 B11R0.32 CC(C)CC(CC(C)C)C(=O)O Amb18794408 [0,0,0,0,0,0|2,0,1]=3 24 B11R0.32 CC(C)CC(NC(C)C)C(=O)O Amb33446957 [0,0,0,0,0,0|1,0,1]=2 25 B11R0.32 CC(C)CC(NC(C)C)C(=O)O Amb9620425 [0,0,0,0,0,0|1,0,1]=2 26 B11R0.32 CC(C)CC(NC(N)=O)C(=O)O Amb1150066 [0,0,0,0,0,0|1,0,0]=1 27 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O Amb2222280 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O Amb6600046 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.23 C#CCC(NC(C)=O)C(=O)O Amb19929448 [1,0,0,0,0,0|0,0,2]=3 30 B10R0.23 C#CCC(NS(C)=O)C(=O)O Amb27272514 [1,0,0,0,0,0|1,0,2]=4 31 B10R0.23 C#CC[C@H](NC(C)=O)C(=O)O Amb27495396 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.23 C=C(C)CC(NC=O)C(=O)O Amb26077062 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.23 C=C(Cl)CC(NC=O)C(=O)O Amb33308772 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.23 C=CCC(CC(C)C)C(=O)O Amb18126004 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.23 C=CCC(NC(C)=O)C(=O)O Amb4013580 [1,0,0,0,0,0|0,0,2]=3 36 B10R0.23 C=CCC(NC(N)=O)C(=O)O Amb27990271 [1,0,0,0,0,0|1,0,2]=4 37 B10R0.23 C=CC[C@@H](NC(C)=O)C(=O)O Amb16182994 [1,0,0,0,0,0|0,0,2]=3 38 B10R0.23 C=CC[C@H](NC(C)=O)C(=O)O Amb24270992 [1,0,0,0,0,0|0,0,2]=3 39 B10R0.23 CC#CC(NC(C)=O)C(=O)O Amb27985934 [1,0,0,0,0,0|0,0,2]=3 40 B10R0.23 CC(=O)C(CC(C)C)NC=O Amb27989941 [1,0,0,0,0,0|1,0,0]=2 41 B10R0.23 CC(=O)CC(NC=O)C(=O)O Amb26998851 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.23 CC(=O)NC(CC#N)C(=O)O Amb33127537 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.23 CC(=O)NC(CCF)C(=O)O Amb26651079 [1,0,0,0,0,0|1,0,0]=2 44 B10R0.23 CC(=O)NC(CCO)C(=O)O Amb8631250 [1,0,0,0,0,0|1,0,0]=2 45 B10R0.23 CC(=O)NC(CCS)C(=O)O Amb18127932 [1,0,0,0,0,0|1,0,0]=2 46 B10R0.23 CC(=O)NN(CCO)C(C)=O Amb27989600 [1,0,0,0,0,0|3,0,0]=4 47 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O Amb27990115 [1,0,0,0,0,0|1,0,0]=2 48 B10R0.23 CC(C)CC(N=C=S)C(=O)O Amb33471520 [1,0,0,0,0,0|0,1,2]=4 49 B10R0.23 CC(C)CC(N=[N+]=[N-])C(=O)O Amb27672112 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.23 CC(C)CC(NC=O)C(=O)O Amb20093368 [1,0,0,0,0,0|0,0,0]=1 51 B10R0.23 CC(C)C[C@@H](CC#N)C(=O)O Amb8388943 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.23 CC(C)C[C@@H](CCN)C(=O)O Amb29838297 [1,0,0,0,0,0|2,0,1]=4 53 B10R0.23 CC(C)C[C@@H](N=C=O)C(=O)O Amb33471341 [1,0,0,0,0,0|0,0,2]=3 54 B10R0.23 CC(C)C[C@@H](N=C=S)C(=O)O Amb33471570 [1,0,0,0,0,0|0,1,2]=4 55 B10R0.23 CC(C)C[C@@H](N=[N+]=[N-])C(=O)O Amb27672119 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.23 CC(C)C[C@@H](N=[N+]=[N-])C(=O)O Amb32620221 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.23 CC(C)C[C@@H](NC=O)C(=O)O Amb10607151 [1,0,0,0,0,0|0,0,0]=1 58 B10R0.23 CC(C)C[C@H](N=C=O)C(=O)O Amb33471338 [1,0,0,0,0,0|0,0,2]=3 59 B10R0.23 CC(C)C[C@H](N=C=S)C(=O)O Amb33471566 [1,0,0,0,0,0|0,1,2]=4 60 B10R0.23 CC(C)C[C@H](N=[N+]=[N-])C(=O)O Amb32620193 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O Amb9813711 [1,0,0,0,0,0|0,0,0]=1 62 B10R0.23 CC(O)CC(NC=O)C(=O)O Amb33066257 [1,0,0,0,0,0|1,0,0]=2 63 B10R0.23 CCCC(CC(=O)O)C(=O)O Amb18645267 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.23 CCCC(CC(C)=O)C(=O)O Amb533160 [1,0,0,0,0,0|1,0,0]=2 65 B10R0.23 CCCC(CC(C)C)C(=O)O Amb18791931 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.23 CCCC(NC(C)=O)C(=O)Cl Amb27673640 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.23 CCCC(NC(C)=O)C(=O)O Amb4013563 [1,0,0,0,0,0|0,0,0]=1 68 B10R0.23 CCCC(NC(C)=O)C(N)=O Amb27988366 [1,0,0,0,0,0|1,0,0]=2 69 B10R0.23 CCCC(NC(C)C)C(=O)O Amb28960316 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.23 CCCC(NC(C)C)C(=O)O Amb9496296 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.23 CCCC(NC(N)=O)C(=N)N Amb27987103 [1,0,0,0,0,0|3,0,0]=4 72 B10R0.23 CCCC(NC(N)=O)C(=O)O Amb9495809 [1,0,0,0,0,0|1,0,0]=2 73 B10R0.23 CCCC(NC(N)=O)C(N)=O Amb26990652 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O Amb3941420 [1,0,0,0,0,0|0,0,0]=1 75 B10R0.23 CCC[C@@H](NC(N)=O)C(=O)O Amb27000197 [1,0,0,0,0,0|1,0,0]=2 76 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O Amb3941421 [1,0,0,0,0,0|0,0,0]=1 77 B10R0.23 CCC[C@H](NC(C)=O)C(N)=O Amb27671257 [1,0,0,0,0,0|1,0,0]=2 78 B10R0.23 CCN[C@@H](CC(C)C)C(=O)O Amb33347488 [1,0,0,0,0,0|0,0,1]=2 79 B10R0.23 CCN[C@H](CC(C)C)C(=O)O Amb33347485 [1,0,0,0,0,0|0,0,1]=2 80 B10R0.23 CCSC(NC(C)=O)C(=O)O Amb27989933 [1,0,0,0,0,0|1,0,0]=2 81 B10R0.23 CC\C=C(\CC(C)=O)C(=O)O Amb27001155 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.23 CC\C=C(\NC(C)=O)C(=O)O Amb27789885 [1,0,0,0,0,0|0,0,2]=3 83 B10R0.23 CC\C=C(\OC(C)=O)C(=O)O Amb26659894 [1,0,0,0,0,0|1,0,2]=4 84 B10R0.23 CNCC(NC(C)=O)C(=O)O Amb27269521 [1,0,0,0,0,0|1,0,0]=2 85 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O Amb25383164 [1,0,0,0,0,0|1,0,0]=2 86 B10R0.23 COCC(CC(=O)O)C(=O)O Amb4007524 [1,0,0,0,0,0|3,0,0]=4 87 B10R0.23 COCC(NC(=O)Cl)C(=O)O Amb27673662 [1,0,0,0,0,0|2,0,0]=3 88 B10R0.23 COCC(NC(C)=O)C(=O)O Amb8385373 [1,0,0,0,0,0|1,0,0]=2 89 B10R0.23 COC[C@@H](NC(C)=O)C(=O)O Amb27990008 [1,0,0,0,0,0|1,0,0]=2 90 B10R0.23 COC[C@H](NC(C)=O)C(=O)O Amb26999845 [1,0,0,0,0,0|1,0,0]=2 91 B10R0.23 CSCC(CC(=O)O)C(=O)O Amb32953699 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.23 CSCC(NC(C)=O)C(=O)O Amb4013561 [1,0,0,0,0,0|1,0,0]=2 93 B10R0.23 CSC[C@H](NC(C)=O)C(=O)O Amb17607605 [1,0,0,0,0,0|1,0,0]=2 94 B10R0.23 CSC[C@H](NC(C)=O)C(N)=O Amb27989966 [1,0,0,0,0,0|2,0,0]=3 95 B10R0.23 C\C=C/C(=C\C(C)C)C(=O)O Amb27863554 [1,0,0,0,0,0|1,0,2]=4 96 B10R0.23 NC(=O)NC(CCS)C(=O)O Amb27271753 [1,0,0,0,0,0|2,0,0]=3 97 B10R0.23 NC(=O)N[C@@H](CCO)C(=O)O Amb26993170 [1,0,0,0,0,0|2,0,0]=3 98 B10R0.23 NCCC(NC(=O)O)C(=O)O Amb24091186 [1,0,0,0,0,0|2,0,0]=3 99 B10R0.23 O=C(O)CC(CCF)C(=O)O Amb33196068 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.23 O=CNC(CC(=O)O)C(=O)O Amb9813710 [1,0,0,0,0,0|2,0,1]=4 101 B10R0.23 O=CNC(CC(F)F)C(=O)O Amb27672873 [1,0,0,0,0,0|2,0,0]=3 102 B10R0.23 O=CN[C@@H](CC(=O)O)C(=O)O Amb16232029 [1,0,0,0,0,0|2,0,1]=4 103 B10R0.23 O=CN[C@H](CC(=O)O)C(=O)O Amb22746431 [1,0,0,0,0,0|2,0,1]=4 104 B10R0.70 C#CC(CC(C)O)NC(C)=O Amb27449279 [1,0,0,0,0,0|2,0,1]=4 105 B10R0.70 C#C[C@H](C[C@@H](C)O)NC(C)=O Amb28136288 [1,0,0,0,0,0|2,0,1]=4 106 B10R0.70 C#C[C@H](C[C@H](C)O)NC(C)=O Amb27630585 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.70 C=C[C@H](CC(C)C)NC(C)=O Amb28080108 [1,0,0,0,0,0|1,0,0]=2 108 B10R0.70 CC(=O)NC(C#N)CC(C)C Amb17399965 [1,0,0,0,0,0|1,0,1]=3 109 B10R0.70 CC(=O)NC(CBr)CC(C)C Amb27670638 [1,0,0,0,0,0|1,0,1]=3 110 B10R0.70 CC(=O)NC(CCl)CC(C)C Amb27670622 [1,0,0,0,0,0|1,0,1]=3 111 B10R0.70 CC(=O)NC(CN)CC(C)C Amb27986770 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.70 CC(=O)NC(CO)CC(C)C Amb17138489 [1,0,0,0,0,0|0,0,1]=2 113 B10R0.70 CC(=O)NC(CO)CC(F)F Amb27270356 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.70 CC(=O)N[C@H](C#N)CC(C)C Amb27176538 [1,0,0,0,0,0|1,0,1]=3 115 B10R0.70 CC(=S)N[C@H](CO)CC(C)C Amb27818745 [1,0,0,0,0,0|0,1,1]=3 116 B10R0.70 CC(C)=CC(CO)CC(C)C Amb27989906 [1,0,0,0,0,0|2,0,1]=4 117 B10R0.70 CC(C)CC(CO)NC(C)C Amb18792183 [1,0,0,0,0,0|1,0,2]=4 118 B10R0.70 CC(C)C[C@@H](CO)NC(=S)S Amb27673442 [1,0,0,0,0,0|1,1,1]=4 119 B10R0.70 COC(CC(C)C)NC(C)=O Amb27673637 [1,0,0,0,0,0|2,0,0]=3 120 B12R0.43 CC(=O)NC(C(=O)O)C(C)C(C)C Amb33066069 [0,1,0,0,0,0|0,0,0]=1 121 B12R0.43 CC(=O)NC(C(=O)O)C(C)C(C)O Amb33065849 [0,1,0,0,0,0|1,0,0]=2 122 B12R0.151 C=C(CC)CC(NC(C)=O)C(=O)O Amb33035582 [0,1,0,0,0,0|0,0,2]=3 123 B12R0.151 CC(=O)NC(CC(C)C#N)C(=O)O Amb33065433 [0,1,0,0,0,0|0,0,1]=2 124 B12R0.151 CC(=O)NC(CC(C)CO)C(=O)O Amb33065530 [0,1,0,0,0,0|0,0,0]=1 125 B12R0.151 CC(=O)NC(CC(O)CF)C(=O)O Amb33065771 [0,1,0,0,0,0|1,0,0]=2 126 B12R0.151 CC(=O)NC(CC(O)CO)C(=O)O Amb33066119 [0,1,0,0,0,0|1,0,0]=2 127 B12R0.151 CC(=O)NC(C\C(C)=C\Cl)C(=O)O Amb33065890 [0,1,0,0,0,0|0,0,2]=3 128 B12R0.151 CC(C)CC(NC(=O)CCl)C(=O)O Amb3094203 [0,1,0,0,0,0|0,0,0]=1 129 B12R0.151 CC(C)CC(NC(=O)CN)C(=O)O Amb540690 [0,1,0,0,0,0|0,0,0]=1 130 B12R0.151 CC(C)C[C@H](NC(=O)CCl)C(=O)O Amb1161949 [0,1,0,0,0,0|0,0,0]=1 131 B12R0.151 CC(C)C[C@H](NC(=O)CN)C(=O)O Amb2719624 [0,1,0,0,0,0|0,0,0]=1 132 B12R0.151 CCC(=O)CC(NC(C)=O)C(=O)O Amb33036669 [0,1,0,0,0,0|1,0,1]=3 133 B12R0.151 CCC(C)CC(NC(C)=O)C(=O)O Amb33042722 [0,1,0,0,0,0|0,0,0]=1 134 B12R0.151 CCC(O)CC(NC(C)=O)C(=O)O Amb33065943 [0,1,0,0,0,0|1,0,0]=2 135 B12R0.151 COC(=O)CC(NC(C)=O)C(=O)O Amb32661518 [0,1,0,0,0,0|1,0,1]=3 136 B12R0.151 COC(=O)CC(NC(C)=O)C(=O)[O-] Amb34916569 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.151 COC(=O)C[C@H](NC(C)=O)C(=O)O Amb24271277 [0,1,0,0,0,0|1,0,1]=3 138 B12R0.151 COC(=O)NC(CC(C)C)C(=O)O Amb9735803 [0,1,0,0,0,0|0,0,0]=1 139 B12R0.151 COC(=O)N[C@@H](CC(C)C)C(=O)O Amb32662896 [0,1,0,0,0,0|0,0,0]=1 140 B12R0.151 COC(C)CC(NC(C)=O)C(=O)O Amb33037068 [0,1,0,0,0,0|0,0,0]=1 141 B12R0.151 NCC(=O)NC(CC(=O)O)C(=O)O Amb6366549 [0,1,0,0,0,0|2,0,1]=4 142 B12R0.151 NCC(=O)N[C@@H](CC(=O)O)C(=O)O Amb22746148 [0,1,0,0,0,0|2,0,1]=4 143 B12R0.151 NCC(=O)N[C@@H](CC(N)=O)C(=O)O Amb33924130 [0,1,0,0,0,0|2,0,1]=4 144 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(C)=O Amb22800487 [0,1,0,0,0,0|1,0,0]=2 145 B12R0.180 COC(=O)C(CC(C)C)NC(N)=O Amb9258923 [0,1,0,0,0,0|1,0,0]=2 146 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(C)=O Amb22800827 [0,1,0,0,0,0|2,0,1]=4 147 B12R0.180 COC(=O)[C@H](CC(C)C)NC(C)=O Amb16182981 [0,1,0,0,0,0|0,0,0]=1 148 B12R0.180 COC(=O)\C(=C/N(C)C)NC(C)=O Amb19957496 [0,1,0,0,0,0|1,0,2]=4 149 B12R0.180 COC(=O)\C(=C\C(C)C)NC(C)=O Amb4014043 [0,1,0,0,0,0|0,0,2]=3 150 B12R0.180 COC(=O)\C(=C\N(C)C)NC(C)=O Amb27771731 [0,1,0,0,0,0|1,0,2]=4 151 B12R0.393 CC(=O)NC(CC(C)(C)C)C(=O)O Amb32788596 [0,1,0,0,0,0|0,0,0]=1 152 B12R0.393 CC(=O)NC(CC(C)(C)F)C(=O)O Amb32789429 [0,1,0,0,0,0|0,0,0]=1 153 B12R0.393 CC(=O)NC(CC(C)(C)O)C(=O)O Amb33065913 [0,1,0,0,0,0|0,0,0]=1 154 B12R0.393 CC(=O)NC(CC(C)(F)F)C(=O)O Amb33309168 [0,1,0,0,0,0|1,0,0]=2 155 B12R0.393 CC(=O)NC(CC(F)(F)F)C(=O)O Amb20075896 [0,1,0,0,0,0|2,0,0]=3 156 B12R0.393 CC(=O)NC(C[Si](C)(C)C)C(=O)O Amb32789387 [0,1,0,0,0,0|0,1,0]=2 157 B12R0.393 CC(C)(C)CC(CC(=O)O)C(=O)O Amb26304265 [0,1,0,0,0,0|2,0,0]=3 158 B12R0.393 CC(C)CC(NS(C)(=O)=O)C(=O)O Amb1105481 [0,1,0,0,0,0|1,0,0]=2 159 B12R0.694 CC(=O)NC(C)(NC(C)=O)C(=O)O Amb4005925 [0,1,0,0,0,0|2,0,1]=4 160 B12R0.694 CC(C)CC(O)(CC(=O)O)C(=O)O Amb33346920 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.127 C=C(C)CC1CC(C)CCC1=O Amb18798685 [0,0,0,1,0,0|3,0,0]=4 162 B12R1.127 CC(=O)NC1CC(C)CCC1O Amb28243942 [0,0,0,1,0,0|1,0,1]=3 163 B12R1.127 CC(=O)NC1CC(C)CNC1C Amb29867207 [0,0,0,1,0,0|2,0,1]=4 164 B12R1.127 CC(=O)N[C@@H]1CC(C)CC[C@H]1O Amb27454952 [0,0,0,1,0,0|1,0,1]=3 165 B12R1.127 CC(=O)O[C@@H]1CC(C)CC[C@@H]1O Amb27443595 [0,0,0,1,0,0|2,0,1]=4 166 B12R1.127 CC(=O)O[C@@H]1C[C@H](C)CCC1=O Amb27620363 [0,0,0,1,0,0|2,0,0]=3 167 B12R1.127 CC(C)CC1N=C(N)CNC1=O Amb28243791 [0,0,0,1,0,0|2,0,1]=4 168 B12R1.127 CC(C)CC1NC(=O)CNC1=O Amb1821337 [0,0,0,1,0,0|1,0,0]=2 169 B12R1.127 CC(C)CC1NC(=O)COC1=O Amb28255734 [0,0,0,1,0,0|0,0,0]=1 170 B12R1.127 CC(C)CC1NC(=S)CNC1=S Amb27947293 [0,0,0,1,0,0|1,2,0]=4 171 B12R1.127 CC(C)CN1CC(=O)CCC1=O Amb25158238 [0,0,0,1,0,0|3,0,0]=4 172 B12R1.127 CC(C)C[C@@H]1NC(C)CNC1=O Amb18825540 [0,0,0,1,0,0|2,0,1]=4 173 B12R1.127 CC(C)C[C@H]1NC(=O)CNC1=O Amb536870 [0,0,0,1,0,0|1,0,0]=2 174 B12R1.127 CC(C)\C=C1/NC(=O)CNC1=O Amb27438484 [0,0,0,1,0,0|1,0,2]=4 175 B12R1.127 CC1CCC(=O)C(CC(=O)O)C1 Amb18647358 [0,0,0,1,0,0|3,0,0]=4 176 B12R1.213 CC(=O)O[C@@H]1C(=O)N[C@@H]1C(C)C Amb28429874 [0,0,0,1,0,0|2,0,0]=3 177 B12R1.213 CC(C)C[C@@H]1C(=O)O[C@H]1C(=O)O Amb27428361 [0,0,0,1,0,0|2,0,0]=3 178 B12R1.217 CC1CC1C(CC(=O)O)C(=O)O Amb33143854 [0,0,0,1,0,0|2,0,0]=3 179 B12R1.844 CC(=O)NC1CC(C)(C)OC1=O Amb28250869 [0,0,0,1,0,0|0,0,0]=1 180 B12R1.844 CC(=O)N[C@H]1CC(C)(C)OC1=O Amb28072940 [0,0,0,1,0,0|0,0,0]=1 181 B12R1.844 CC(C)CC1NC(C)(C)NC1=O Amb27430369 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.844 CC1(C)CC(CC(=O)O)C(=O)O1 Amb556792 [0,0,0,1,0,0|2,0,0]=3 183 B12R1.844 CC1(C)OC(=O)C(CC(=O)O)O1 Amb22732784 [0,0,0,1,0,0|3,0,0]=4 184 B12R1.844 CC1(C)OC(=O)[C@@H](CC(=O)O)O1 Amb3940901 [0,0,0,1,0,0|3,0,0]=4 185 B12R1.844 CC1(C)OC(=O)[C@H](CC(=O)O)O1 Amb3940902 [0,0,0,1,0,0|3,0,0]=4 186 B12R1.850 CC(=O)N1CC(=O)CC1C(=O)O Amb17334835 [0,0,0,1,0,0|1,0,1]=3 187 B12R1.850 CC(=O)N1CC(=O)C[C@H]1C(=O)O Amb28047648 [0,0,0,1,0,0|1,0,1]=3 188 B12R1.850 CC(=O)N1CC(C)CC1C(=O)O Amb25831106 [0,0,0,1,0,0|0,0,0]=1 189 B12R1.850 CC(=O)N1CC(F)CC1C(=O)O Amb27883021 [0,0,0,1,0,0|1,0,0]=2 190 B12R1.850 CC(=O)N1CC(O)CC1C(=O)O Amb1117705 [0,0,0,1,0,0|1,0,0]=2 191 B12R1.850 CC(=O)N1CC(O)CC1C(=O)[O-] Amb33513103 [0,0,0,1,0,0|1,0,1]=3 192 B12R1.850 CC(=O)N1CC(O)C[C@@H]1C(=O)O Amb18794751 [0,0,0,1,0,0|1,0,0]=2 193 B12R1.850 CC(=O)N1CC(S)CC1C(=O)O Amb28428427 [0,0,0,1,0,0|1,0,0]=2 194 B12R1.850 CC(=O)N1C[C@@H](F)C[C@H]1C(=O)O Amb25938426 [0,0,0,1,0,0|1,0,0]=2 195 B12R1.850 CC(=O)N1C[C@@H](N)C[C@H]1C(N)=O Amb28146057 [0,0,0,1,0,0|2,0,0]=3 196 B12R1.850 CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O Amb22746162 [0,0,0,1,0,0|1,0,0]=2 197 B12R1.850 CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O Amb27452611 [0,0,0,1,0,0|1,0,0]=2 198 B12R1.850 CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb26601238 [0,0,0,1,0,0|1,0,0]=2 199 B12R1.850 CC(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb8629077 [0,0,0,1,0,0|1,0,0]=2 200 B12R1.850 CC(=O)N1NC(=O)CC1C(=O)O Amb18647579 [0,0,0,1,0,0|2,0,1]=4 201 B12R1.850 CC(C)C1CC(=O)CC1C(=O)O Amb27613031 [0,0,0,1,0,0|1,0,0]=2 202 B12R1.850 CC(C)C1CC(=O)NC1C(=O)O Amb27659240 [0,0,0,1,0,0|0,0,0]=1 203 B12R1.850 CC(C)C1NC(=O)NC1C(N)=O Amb28317298 [0,0,0,1,0,0|2,0,0]=3 204 B12R1.850 CC(C)C1NC(=O)OC1C(=O)O Amb28070971 [0,0,0,1,0,0|2,0,0]=3 205 B12R1.850 CC(C)C1OC(=O)NC1C(=O)O Amb18127009 [0,0,0,1,0,0|1,0,0]=2 206 B12R1.850 CC(C)C1SC(=S)NC1C(=O)O Amb27193045 [0,0,0,1,0,0|1,1,0]=3 207 B12R1.850 CC(C)N1CC(O)CC1C(=O)O Amb25288405 [0,0,0,1,0,0|2,0,1]=4 208 B12R1.850 CC(C)[C@@H]1CC(=O)N[C@H]1C(=O)O Amb24650014 [0,0,0,1,0,0|0,0,0]=1 209 B12R1.850 CC(C)[C@@H]1CN(C)C[C@H]1C(=O)O Amb32946182 [0,0,0,1,0,0|3,0,0]=4 210 B12R1.850 CC(C)[C@@H]1NC(=O)C[C@H]1C(=O)O Amb18198654 [0,0,0,1,0,0|2,0,0]=3 211 B12R1.850 CC(C)[C@@H]1NC(=O)O[C@@H]1C(=O)O Amb27666894 [0,0,0,1,0,0|2,0,0]=3 212 B12R1.850 CC(C)[C@@H]1OC(=O)N[C@@H]1C(=O)O Amb27265145 [0,0,0,1,0,0|1,0,0]=2 213 B12R1.850 CC1CC(C(=O)O)C(C(=O)O)C1 Amb25246178 [0,0,0,1,0,0|2,0,0]=3 214 B12R1.850 CN1C[C@H](C(=O)O)[C@@H](C(=O)O)C1 Amb29848535 [0,0,0,1,0,0|3,0,0]=4 215 B12R1.850 CS(=O)N1CC(O)C[C@H]1C(=O)O Amb28457612 [0,0,0,1,0,0|2,0,0]=3 216 B12R1.850 CS(=O)N1C[C@@H](O)C[C@H]1C(=O)O Amb27630729 [0,0,0,1,0,0|2,0,0]=3 217 B12R1.850 CS(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb27468008 [0,0,0,1,0,0|2,0,0]=3 218 B12R1.850 C[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)N1 Amb28256740 [0,0,0,1,0,0|3,0,0]=4 219 B12R1.850 C[C@H]1C[C@@H](C(=O)O)[C@@H](C(=O)O)N1 Amb27437188 [0,0,0,1,0,0|3,0,0]=4 220 B12R1.850 N=C(N)N1CC(O)CC1C(=O)O Amb28291580 [0,0,0,1,0,0|3,0,0]=4 221 B12R1.850 N=C(N)N1C[C@H](O)C[C@H]1C(=O)O Amb28244794 [0,0,0,1,0,0|3,0,0]=4 222 B12R1.850 NC(=O)N1CC(O)CC1C(=O)O Amb1150497 [0,0,0,1,0,0|2,0,0]=3 223 B12R1.850 NC(=O)N1CC(O)C[C@H]1C(=O)O Amb27662752 [0,0,0,1,0,0|2,0,0]=3 224 B12R1.850 NC(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb27495336 [0,0,0,1,0,0|2,0,0]=3 225 B12R1.850 NC(=O)[C@@H]1CC(O)CN1C(N)=O Amb28317602 [0,0,0,1,0,0|3,0,0]=4 226 B12R1.850 O=C(O)[C@@H]1CC(O)C[C@H]1C(=O)O Amb28193731 [0,0,0,1,0,0|3,0,0]=4 227 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)N1 Amb28343140 [0,0,0,1,0,0|2,0,1]=4 228 B12R1.850 O=C1N[C@H](C(=O)O)[C@H](C(F)F)O1 Amb27233385 [0,0,0,1,0,0|3,0,0]=4 229 B12R1.1043 C=C(C)CC1(C(=O)O)CC(C)C1 Amb35651463 [0,0,0,1,0,0|2,0,0]=3 230 B12R1.1043 CC(C)CC1(C(=O)O)CC(=O)C1 Amb33374129 [0,0,0,1,0,0|1,0,0]=2 231 B12R1.1043 CC(C)CC1(C(=O)O)CC(C)C1 Amb23449088 [0,0,0,1,0,0|2,0,1]=4 232 B12R1.1043 CC(C)CC1(C(=O)O)CC(N)C1 Amb33374126 [0,0,0,1,0,0|2,0,1]=4 233 B12R1.1043 CC(C)CC1(C(=O)O)CC(O)C1 Amb33374128 [0,0,0,1,0,0|1,0,2]=4 234 B12R1.1043 CC(C)SC1(C(=O)O)CC(=O)C1 Amb24585073 [0,0,0,1,0,0|2,0,0]=3 235 B12R1.1043 CC(O)CC1(C(=O)O)CC(C)C1 Amb35651468 [0,0,0,1,0,0|1,0,2]=4 236 B12R1.1043 CC1CC(CC(=O)O)(C(=O)O)C1 Amb32946550 [0,0,0,1,0,0|2,0,0]=3 237 B12R1.1043 CC1CC(NC(C)C)(C(=O)O)C1 Amb27664685 [0,0,0,1,0,0|1,0,1]=3 238 B12R1.1043 CC1CC(SC(C)C)(C(=O)O)C1 Amb25722537 [0,0,0,1,0,0|2,0,1]=4 239 B12R1.1362 CC1(C)CC(C(=O)O)CC1(C)C Amb27760800 [0,0,0,1,0,0|2,0,1]=4 240 B12R1.1383 CC(C)C1[C@H](C(=O)O)[C@H]1C(=O)O Amb27985004 [0,0,0,1,0,0|2,0,0]=3 241 B12R1.1833 CC(=O)NC1(C(=O)O)CC1(C)C Amb27842070 [0,0,0,1,0,0|0,0,0]=1 242 B12R1.1833 CC(=O)OC1(C(N)=O)CC1(C)C Amb27233582 [0,0,0,1,0,0|2,0,0]=3 243 B12R1.1833 CC(C)CC1(C(=O)O)CC1(C)C Amb33449527 [0,0,0,1,0,0|2,0,1]=4 244 B12R1.3005 CC(=O)C1=CC(=O)CC(C)(C)C1 Amb27948763 [0,0,0,1,0,0|2,0,1]=4 245 B12R1.3005 CC(=O)C1CC(=O)CC(C)(C)C1 Amb17594215 [0,0,0,1,0,0|2,0,0]=3 246 B12R1.3005 CC(=O)C1CC(=O)CC(C)(O)C1 Amb27836822 [0,0,0,1,0,0|3,0,0]=4 247 B12R1.3005 CC1(C)CC(=O)CC(C(=O)Cl)O1 Amb27645277 [0,0,0,1,0,0|3,0,0]=4 248 B12R1.3005 CC1(C)CC(=O)CC(C(=O)O)O1 Amb18198353 [0,0,0,1,0,0|2,0,0]=3 249 B12R1.3005 CC1(C)CC(O)CC(C(=O)O)C1 Amb24459861 [0,0,0,1,0,0|1,0,2]=4 250 B12R1.3005 CC1(C)CS(=O)C[C@@H](C(=O)O)N1 Amb28239239 [0,0,0,1,0,0|3,0,0]=4 251 B12R1.3005 CC1CC(C(=O)O)CC(C)(C)C1 Amb18278642 [0,0,0,1,0,0|2,0,1]=4 252 B12R1.3005 CC1CC(C)(C)OC(C(=O)O)N1 Amb33193912 [0,0,0,1,0,0|2,0,1]=4 253 B12R1.3005 CN1CC(C(=O)O)CC(C)(C)C1 Amb32419181 [0,0,0,1,0,0|3,0,0]=4 254 B12R1.3005 C[C@@H]1C[C@H](C(=O)O)CC(C)(C)C1 Amb32645843 [0,0,0,1,0,0|2,0,1]=4 255 B12R1.3005 O=C1CP(=O)(O)CC(C(=O)O)N1 Amb27791742 [0,0,0,1,0,0|3,0,0]=4 256 B12R1.3005 O=C1CS(=O)(=O)CC(C(=O)O)N1 Amb33072443 [0,0,0,1,0,0|3,0,0]=4 257 B12R1.3005 O=C1CS(=O)(=O)C[C@@H](C(=O)O)N1 Amb32992582 [0,0,0,1,0,0|3,0,0]=4 258 B12R1.3005 O=C1C[P@@](=O)(S)C[C@@H](C(=O)O)N1 Amb28064029 [0,0,0,1,0,0|3,0,0]=4 259 B12R1.3005 O=C1N[C@H](C(=O)O)CC(O)(O)N1 Amb27603501 [0,0,0,1,0,0|3,0,0]=4 260 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O Amb22489683 [0,0,0,1,0,0|0,0,0]=1 261 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O Amb8631227 [0,0,0,1,0,0|0,0,0]=1 262 B12R1.3579 O=C(O)CC(CC1CC1)C(=O)O Amb33172195 [0,0,0,1,0,0|2,0,0]=3 263 B10R0.162 C=C(C)C(NC(C)C)C(=O)O Amb27269095 [0,0,0,0,1,0|2,0,0]=3 264 B10R0.162 C=C(C)C(NC(C)C)C(N)=O Amb27269092 [0,0,0,0,1,0|3,0,0]=4 265 B10R0.162 C=C(C)C(NC(N)=O)C(C)C Amb27848492 [0,0,0,0,1,0|3,0,0]=4 266 B10R0.162 C=C(C)CC(C(C)=O)C(C)=O Amb27673766 [0,0,0,0,1,0|1,0,2]=4 267 B10R0.162 CC(=N)C(NC(C)=O)C(C)=O Amb27176329 [0,0,0,0,1,0|2,0,1]=4 268 B10R0.162 CC(=O)C(CC(=O)O)C(C)C Amb27990011 [0,0,0,0,1,0|3,0,0]=4 269 B10R0.162 CC(=O)C(CC(C)C)C(C)=O Amb17593914 [0,0,0,0,1,0|1,0,0]=2 270 B10R0.162 CC(=O)C(CC(C)C)C(N)=O Amb27990242 [0,0,0,0,1,0|1,0,0]=2 271 B10R0.162 CC(=O)CC(C(C)=O)N(C)C Amb27673723 [0,0,0,0,1,0|3,0,0]=4 272 B10R0.162 CC(=O)NC(B(O)O)C(C)C Amb28074069 [0,0,0,0,1,0|1,0,1]=3 273 B10R0.162 CC(=O)NC(C(=O)Cl)C(C)C Amb5742285 [0,0,0,0,1,0|1,0,0]=2 274 B10R0.162 CC(=O)NC(C(=O)O)=C(C)C Amb24309192 [0,0,0,0,1,0|0,0,2]=3 275 B10R0.162 CC(=O)NC(C(=O)O)C(=O)O Amb27471757 [0,0,0,0,1,0|2,0,1]=4 276 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Amb9702849 [0,0,0,0,1,0|0,0,0]=1 277 B10R0.162 CC(=O)NC(C(=O)O)C(C)O Amb1119285 [0,0,0,0,1,0|1,0,0]=2 278 B10R0.162 CC(=O)NC(C(=O)O)C(C)S Amb27409022 [0,0,0,0,1,0|1,0,0]=2 279 B10R0.162 CC(=O)NC(C(C)=O)C(C)=O Amb20620188 [0,0,0,0,1,0|2,0,1]=4 280 B10R0.162 CC(=O)NC(C(N)=O)C(C)C Amb6739910 [0,0,0,0,1,0|1,0,0]=2 281 B10R0.162 CC(=O)NC(C(N)=O)C(C)S Amb27176594 [0,0,0,0,1,0|2,0,0]=3 282 B10R0.162 CC(=O)NN(C(N)=S)C(C)C Amb27169068 [0,0,0,0,1,0|2,1,0]=4 283 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C Amb533286 [0,0,0,0,1,0|0,0,0]=1 284 B10R0.162 CC(=O)N[C@@H](C(=O)O)[C@H](C)O Amb24388953 [0,0,0,0,1,0|1,0,0]=2 285 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Amb1152997 [0,0,0,0,1,0|0,0,0]=1 286 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O Amb4606017 [0,0,0,0,1,0|1,0,0]=2 287 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@H](C)O Amb27165719 [0,0,0,0,1,0|1,0,0]=2 288 B10R0.162 CC(=O)N[C@H](C(N)=O)C(C)C Amb16182991 [0,0,0,0,1,0|1,0,0]=2 289 B10R0.162 CC(=O)N[C@H](C(N)=O)[C@@H](C)O Amb27955806 [0,0,0,0,1,0|2,0,0]=3 290 B10R0.162 CC(=O)OC(C(=O)O)C(C)C Amb8390137 [0,0,0,0,1,0|1,0,0]=2 291 B10R0.162 CC(=O)OC(C(C)=O)C(C)C Amb28080157 [0,0,0,0,1,0|2,0,0]=3 292 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C Amb22225167 [0,0,0,0,1,0|1,0,0]=2 293 B10R0.162 CC(=O)O[C@H](C(=O)O)C(C)C Amb22232253 [0,0,0,0,1,0|1,0,0]=2 294 B10R0.162 CC(=O)O[C@H](C(C)=O)C(C)C Amb27672448 [0,0,0,0,1,0|2,0,0]=3 295 B10R0.162 CC(=O)[C@@H](CC(=O)O)C(C)C Amb27990157 [0,0,0,0,1,0|3,0,0]=4 296 B10R0.162 CC(=O)[C@@H](CC(C)C)[C@@H](C)O Amb27269964 [0,0,0,0,1,0|1,0,1]=3 297 B10R0.162 CC(=O)[C@@H](CC(C)C)[C@H](C)O Amb27672477 [0,0,0,0,1,0|1,0,1]=3 298 B10R0.162 CC(=O)[C@H](CC(C)C)[C@@H](C)O Amb27269965 [0,0,0,0,1,0|1,0,1]=3 299 B10R0.162 CC(=O)[C@H](CC(C)C)[C@H](C)O Amb27672215 [0,0,0,0,1,0|1,0,1]=3 300 B10R0.162 CC(=O)\C(SC(C)C)=C(\C)O Amb27164606 [0,0,0,0,1,0|2,0,1]=4 301 B10R0.162 CC(C)=C(CN(C)C)C(=O)O Amb28399376 [0,0,0,0,1,0|2,0,1]=4 302 B10R0.162 CC(C)=NC(C(=O)O)C(C)C Amb27176584 [0,0,0,0,1,0|1,0,1]=3 303 B10R0.162 CC(C)C(CC(=O)O)C(=O)O Amb18645268 [0,0,0,0,1,0|2,0,0]=3 304 B10R0.162 CC(C)C(NC(=N)N)C(=O)O Amb27409796 [0,0,0,0,1,0|2,0,0]=3 305 B10R0.162 CC(C)C(NC(=O)S)C(=O)O Amb27760476 [0,0,0,0,1,0|1,0,0]=2 306 B10R0.162 CC(C)C(NC(N)=O)C(=N)N Amb27450601 [0,0,0,0,1,0|3,0,0]=4 307 B10R0.162 CC(C)C(NC(N)=O)C(=O)O Amb6718279 [0,0,0,0,1,0|1,0,0]=2 308 B10R0.162 CC(C)C(NC(N)=S)C(N)=O Amb27656330 [0,0,0,0,1,0|2,1,0]=4 309 B10R0.162 CC(C)C(NP(Cl)Cl)C(=O)O Amb27673658 [0,0,0,0,1,0|3,0,0]=4 310 B10R0.162 CC(C)C(NS(C)=O)C(=O)O Amb27272525 [0,0,0,0,1,0|1,0,0]=2 311 B10R0.162 CC(C)CC(C(=O)Cl)C(=O)Cl Amb24764339 [0,0,0,0,1,0|2,0,0]=3 312 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Amb17593992 [0,0,0,0,1,0|1,0,0]=2 313 B10R0.162 CC(C)CC(C(=O)O)C(C)C Amb19009627 [0,0,0,0,1,0|1,0,1]=3 314 B10R0.162 CC(C)CC(C(=O)O)C(C)N Amb33036344 [0,0,0,0,1,0|1,0,1]=3 315 B10R0.162 CC(C)CC(C(=O)O)C(C)O Amb27990208 [0,0,0,0,1,0|0,0,2]=3 316 B10R0.162 CC(C)CC(C(=O)O)N(C)N Amb27990222 [0,0,0,0,1,0|2,0,0]=3 317 B10R0.162 CC(C)CC(C(N)=O)C(=O)O Amb25386201 [0,0,0,0,1,0|1,0,0]=2 318 B10R0.162 CC(C)CC(C(N)=O)C(=O)[O-] Amb32663336 [0,0,0,0,1,0|1,0,1]=3 319 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C Amb26659287 [0,0,0,0,1,0|2,0,0]=3 320 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C Amb34913644 [0,0,0,0,1,0|2,0,0]=3 321 B10R0.162 CC(C)C[C@@H](C(N)=O)N(C)C Amb26084064 [0,0,0,0,1,0|3,0,0]=4 322 B10R0.162 CC(C)NC(C(=O)O)C(=O)O Amb27670980 [0,0,0,0,1,0|2,0,0]=3 323 B10R0.162 CC(C)NC(C(=O)O)C(C)C Amb10199872 [0,0,0,0,1,0|1,0,1]=3 324 B10R0.162 CC(C)NC(C(=O)O)C(C)C Amb1110617 [0,0,0,0,1,0|1,0,1]=3 325 B10R0.162 CC(C)NC(C(=O)O)C(C)O Amb28079679 [0,0,0,0,1,0|1,0,2]=4 326 B10R0.162 CC(C)NC(C(N)=O)C(C)C Amb18306225 [0,0,0,0,1,0|2,0,1]=4 327 B10R0.162 CC(C)N[C@H](C(N)=O)C(C)C Amb27001635 [0,0,0,0,1,0|2,0,1]=4 328 B10R0.162 CC(C)OC(C(=O)O)C(=O)O Amb27986687 [0,0,0,0,1,0|2,0,0]=3 329 B10R0.162 CC(C)SC(C(=O)O)C(C)C Amb18303983 [0,0,0,0,1,0|2,0,1]=4 330 B10R0.162 CC(C)[C@@H](NC(N)=O)C(=O)O Amb18179952 [0,0,0,0,1,0|1,0,0]=2 331 B10R0.162 CC(C)[C@@H](NS(C)=O)C(=O)O Amb27272521 [0,0,0,0,1,0|1,0,0]=2 332 B10R0.162 CC(C)[C@H](NC(N)=O)C(=O)O Amb544737 [0,0,0,0,1,0|1,0,0]=2 333 B10R0.162 CC(C)[C@H](NS(C)=O)C(=O)O Amb27272519 [0,0,0,0,1,0|1,0,0]=2 334 B10R0.162 CC(C)\C(=C/C(=O)O)C(=O)O Amb18126099 [0,0,0,0,1,0|2,0,1]=4 335 B10R0.162 CC(C)\C(=C\C(=O)O)C(=O)O Amb27781917 [0,0,0,0,1,0|2,0,1]=4 336 B10R0.162 CC(O)C(NC(=S)S)C(=O)O Amb27863740 [0,0,0,0,1,0|2,1,0]=4 337 B10R0.162 CC(O)C(NC(N)=O)C(=O)O Amb9706401 [0,0,0,0,1,0|2,0,0]=3 338 B10R0.162 CC(O)C(NS(C)=O)C(=O)O Amb27272532 [0,0,0,0,1,0|2,0,0]=3 339 B10R0.162 CC(O)CC(C(=O)O)C(C)C Amb27986528 [0,0,0,0,1,0|1,0,2]=4 340 B10R0.162 C[C@@H](O)[C@H](NC(=N)N)C(=O)O Amb28365477 [0,0,0,0,1,0|3,0,0]=4 341 B10R0.162 C[C@@H](O)[C@H](NC(=S)S)C(=O)O Amb28396492 [0,0,0,0,1,0|2,1,0]=4 342 B10R0.162 C[C@@H](O)[C@H](NC(N)=O)C(=O)O Amb24651146 [0,0,0,0,1,0|2,0,0]=3 343 B10R0.162 C[C@@H](O)[C@H](NS(C)=O)C(=O)O Amb27272531 [0,0,0,0,1,0|2,0,0]=3 344 B12R0.41 CC(=O)NC(CC(=O)O)CC(C)C Amb32787590 [0,0,0,0,0,1|0,0,0]=1 345 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O Amb16232082 [0,0,0,0,0,1|2,0,0]=3 346 B12R0.41 CC(C)CC(CC(N)=O)CC(=O)O Amb8396102 [0,0,0,0,0,1|2,0,0]=3 347 B12R0.41 CC(C)C[C@@H](CC(N)=O)CC(=O)O Amb22388610 [0,0,0,0,0,1|2,0,0]=3 348 B12R0.41 CC(C)C[C@H](CC(N)=O)CC(=O)O Amb8383405 [0,0,0,0,0,1|2,0,0]=3 349 B12R0.138 C=C(C)CCC(NC(C)=O)C(=O)O Amb33308627 [0,0,0,0,0,1|0,0,2]=3 350 B12R0.138 CC(=O)C(CC(=O)O)NCC(C)C Amb18611356 [0,0,0,0,0,1|3,0,0]=4 351 B12R0.138 CC(=O)CCC(NC(C)=O)C(=O)O Amb33036575 [0,0,0,0,0,1|1,0,1]=3 352 B12R0.138 CC(=O)NC(CC=C(C)C)C(=O)O Amb33042720 [0,0,0,0,0,1|0,0,1]=2 353 B12R0.138 CC(=O)NC(CC=C(Cl)Cl)C(=O)O Amb32867933 [0,0,0,0,0,1|2,0,1]=4 354 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O Amb533294 [0,0,0,0,0,1|2,0,1]=4 355 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O Amb28555942 [0,0,0,0,0,1|0,0,0]=1 356 B12R0.138 CC(=O)NC(CCC(C)N)C(=O)O Amb32455360 [0,0,0,0,0,1|1,0,0]=2 357 B12R0.138 CC(=O)NC(CCC(C)O)C(=O)O Amb32455361 [0,0,0,0,0,1|1,0,0]=2 358 B12R0.138 CC(=O)NC(CCC(N)=O)C(=O)O Amb6661579 [0,0,0,0,0,1|2,0,1]=4 359 B12R0.138 CC(=O)NC(CCN(C)C)C(=O)O Amb33309026 [0,0,0,0,0,1|1,0,0]=2 360 B12R0.138 CC(=O)NC(CCS(C)=O)C(=O)O Amb33065752 [0,0,0,0,0,1|2,0,0]=3 361 B12R0.138 CC(=O)NC(COC(C)C)C(=O)O Amb32788602 [0,0,0,0,0,1|0,0,0]=1 362 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb2719700 [0,0,0,0,0,1|2,0,1]=4 363 B12R0.138 CC(=O)N[C@@H](CCC(N)=O)C(=O)O Amb3939919 [0,0,0,0,0,1|2,0,1]=4 364 B12R0.138 CC(=O)N[C@@H](CCS(C)=O)C(=O)O Amb22799513 [0,0,0,0,0,1|2,0,0]=3 365 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O Amb6295801 [0,0,0,0,0,1|2,0,1]=4 366 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O Amb20668896 [0,0,0,0,0,1|2,0,0]=3 367 B12R0.138 CC(C)CNC(CC(C)C)C(=O)O Amb17401148 [0,0,0,0,0,1|1,0,1]=3 368 B12R0.138 CC(C)OCC(CC(=O)O)C(=O)O Amb33274071 [0,0,0,0,0,1|2,0,0]=3 369 B12R0.138 CN(C)CCC(CC(=O)O)C(=O)O Amb33271640 [0,0,0,0,0,1|3,0,0]=4 370 B9R0.14 C#CC(CCC)NC(C)=O Amb28143405 [2,0,0,0,0,0|1,0,1]=4 371 B9R0.14 C=CC(CCC)OC(C)=O Amb22227963 [2,0,0,0,0,0|2,0,0]=4 372 B9R0.14 C=CCC(C=O)CC(C)C Amb28049874 [2,0,0,0,0,0|1,0,1]=4 373 B9R0.14 CC(=O)NC(C=O)CC=O Amb27424810 [2,0,0,0,0,0|1,0,1]=4 374 B9R0.14 CC(=O)NC(CO)CCO Amb26855329 [2,0,0,0,0,0|1,0,1]=4 375 B9R0.14 CC(=O)N[C@@H](C=O)CC=O Amb27950711 [2,0,0,0,0,0|1,0,1]=4 376 B9R0.14 CC(=O)N[C@H](CO)CCO Amb28043105 [2,0,0,0,0,0|1,0,1]=4 377 B9R0.14 CC(C)CC(C#N)NC=O Amb27390521 [2,0,0,0,0,0|1,0,1]=4 378 B9R0.14 CC(C)C[C@H](CO)NC=O Amb27168164 [2,0,0,0,0,0|0,0,1]=3 379 B9R0.14 CCCC(C=O)OC(C)=O Amb18644107 [2,0,0,0,0,0|1,0,0]=3 380 B9R0.14 CCNC(CO)CC(C)C Amb27263036 [2,0,0,0,0,0|0,0,2]=4 381 B9R0.14 COC[C@H](CO)NC(C)=O Amb28342322 [2,0,0,0,0,0|1,0,1]=4 382 B9R0.15 C#CCC(NC=O)C(=O)O Amb25069360 [2,0,0,0,0,0|0,0,2]=4 383 B9R0.15 C=CCC(CCC)C(=O)O Amb17619617 [2,0,0,0,0,0|1,0,1]=4 384 B9R0.15 C=CCC(NC=O)C(=O)O Amb24641210 [2,0,0,0,0,0|0,0,2]=4 385 B9R0.15 CC#CC(CCC)C(=O)O Amb27590192 [2,0,0,0,0,0|1,0,1]=4 386 B9R0.15 CCCC(CC=O)C(=O)O Amb27786319 [2,0,0,0,0,0|1,0,0]=3 387 B9R0.15 CCCC(CCC)C(=O)O Amb3940097 [2,0,0,0,0,0|1,0,1]=4 388 B9R0.15 CCCC(NC=O)C(=O)O Amb9871545 [2,0,0,0,0,0|0,0,0]=2 389 B9R0.15 CCCC(NCC)C(=O)O Amb9496319 [2,0,0,0,0,0|0,0,1]=3 390 B9R0.15 CCCC(OCC)C(=O)O Amb28050125 [2,0,0,0,0,0|1,0,1]=4 391 B9R0.15 CCC[C@@H](N=C=O)C(=O)O Amb33471348 [2,0,0,0,0,0|0,0,2]=4 392 B9R0.15 CCC[C@@H](NC=O)C(=O)O Amb27831939 [2,0,0,0,0,0|0,0,0]=2 393 B9R0.15 CCC[C@@H](NCC)C(=O)O Amb33347491 [2,0,0,0,0,0|0,0,1]=3 394 B9R0.15 CCC[C@H](N=C=O)C(=O)O Amb33471344 [2,0,0,0,0,0|0,0,2]=4 395 B9R0.15 CCC[C@H](NCC)C(=O)O Amb33347483 [2,0,0,0,0,0|0,0,1]=3 396 B9R0.15 CCNC(CCN)C(=O)O Amb27830036 [2,0,0,0,0,0|1,0,1]=4 397 B9R0.15 CCN[C@H](COC)C(=O)O Amb33347499 [2,0,0,0,0,0|1,0,1]=4 398 B9R0.15 COCC(NC=O)C(=O)O Amb25378764 [2,0,0,0,0,0|1,0,0]=3 399 B9R0.15 COC[C@H](NC=O)C(=O)O Amb27390202 [2,0,0,0,0,0|1,0,0]=3 400 B9R0.15 C\C=C\C(CCC)C(=O)O Amb18643916 [2,0,0,0,0,0|1,0,0]=3 401 B9R0.15 N#CCC(NC=O)C(=O)O Amb33066274 [2,0,0,0,0,0|1,0,1]=4 402 B9R0.15 O=CNC(CCF)C(=O)O Amb26995646 [2,0,0,0,0,0|1,0,0]=3 403 B9R0.15 O=CNC(CCO)C(=O)O Amb18305692 [2,0,0,0,0,0|1,0,0]=3 404 B9R0.15 O=CN[C@H](CCO)C(=O)O Amb27238455 [2,0,0,0,0,0|1,0,0]=3 405 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [2,0,0,0,0,0|0,0,2]=4 406 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [2,0,0,0,0,0|0,0,2]=4 407 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [2,0,0,0,0,0|2,0,0]=4 408 B9R0.39 C=CC(SC(C)C)C(=O)O Amb28123807 [2,0,0,0,0,0|1,0,1]=4 409 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [2,0,0,0,0,0|0,0,2]=4 410 B9R0.39 CC(=N)N[C@@H](CO)C(=O)O Amb27192588 [2,0,0,0,0,0|2,0,0]=4 411 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [2,0,0,0,0,0|1,0,1]=4 412 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [2,0,0,0,0,0|1,0,0]=3 413 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [2,0,0,0,0,0|1,0,0]=3 414 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [2,0,0,0,0,0|1,0,0]=3 415 B9R0.39 CC(=O)NC(CO)C(N)=O Amb4018749 [2,0,0,0,0,0|2,0,0]=4 416 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [2,0,0,0,0,0|1,0,0]=3 417 B9R0.39 CC(=O)NC(CS)C(N)=O Amb24482241 [2,0,0,0,0,0|2,0,0]=4 418 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [2,0,0,0,0,0|1,0,0]=3 419 B9R0.39 CC(=O)N[C@@H](CO)C(N)=O Amb28461160 [2,0,0,0,0,0|2,0,0]=4 420 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [2,0,0,0,0,0|1,0,0]=3 421 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Amb24183864 [2,0,0,0,0,0|2,0,0]=4 422 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [2,0,0,0,0,0|1,0,0]=3 423 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [2,0,0,0,0,0|1,0,0]=3 424 B9R0.39 CC(=O)N[C@H](CS)C(N)=O Amb27232938 [2,0,0,0,0,0|2,0,0]=4 425 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [2,0,0,0,0,0|2,0,0]=4 426 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [2,0,0,0,0,0|2,0,0]=4 427 B9R0.39 CC(C)CC(C#N)C(=O)O Amb23558965 [2,0,0,0,0,0|1,0,1]=4 428 B9R0.39 CC(C)CC(CN)C(=O)O Amb19021764 [2,0,0,0,0,0|1,0,1]=4 429 B9R0.39 CC(C)CC(CN)C(=O)O Amb28555451 [2,0,0,0,0,0|1,0,1]=4 430 B9R0.39 CC(C)CC(CO)C(=O)O Amb18124780 [2,0,0,0,0,0|0,0,2]=4 431 B9R0.39 CC(C)CC(N=O)C(=O)O Amb27461396 [2,0,0,0,0,0|0,0,1]=3 432 B9R0.39 CC(C)CC(NCl)C(=O)O Amb27401848 [2,0,0,0,0,0|1,0,0]=3 433 B9R0.39 CC(C)CC(ON)C(=O)O Amb18644321 [2,0,0,0,0,0|2,0,0]=4 434 B9R0.39 CC(C)CC(ON)C(=O)O Amb33484371 [2,0,0,0,0,0|2,0,0]=4 435 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756732 [2,0,0,0,0,0|1,0,1]=4 436 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756740 [2,0,0,0,0,0|1,0,1]=4 437 B9R0.39 CC(C)C[C@@H](NN)C(=O)O Amb27424998 [2,0,0,0,0,0|1,0,0]=3 438 B9R0.39 CC(C)C[C@@H](ON)C(=O)O Amb27975779 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb26390781 [2,0,0,0,0,0|1,0,1]=4 440 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb32620226 [2,0,0,0,0,0|1,0,1]=4 441 B9R0.39 CC(C)C[C@H](NN)C(=O)O Amb27488207 [2,0,0,0,0,0|1,0,0]=3 442 B9R0.39 CC(C)C[C@H](NN)C(N)=O Amb27604368 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [2,0,0,0,0,0|2,0,0]=4 444 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [2,0,0,0,0,0|1,0,0]=3 445 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.39 CCC(CC(C)C)C(=O)O Amb19014184 [2,0,0,0,0,0|0,0,1]=3 447 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [2,0,0,0,0,0|1,0,1]=4 448 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [2,0,0,0,0,0|0,0,0]=2 449 B9R0.39 CCC(NC(C)=O)C(C)=O Amb28348733 [2,0,0,0,0,0|1,0,0]=3 450 B9R0.39 CCC(NC(C)C)C(=O)O Amb28555426 [2,0,0,0,0,0|1,0,1]=4 451 B9R0.39 CCC(NC(C)C)C(=O)O Amb9620437 [2,0,0,0,0,0|1,0,1]=4 452 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [2,0,0,0,0,0|1,0,0]=3 453 B9R0.39 CCC(OC(C)=O)C(=O)Cl Amb28059233 [2,0,0,0,0,0|2,0,0]=4 454 B9R0.39 CCC(OC(C)=O)C(N)=O Amb25274332 [2,0,0,0,0,0|2,0,0]=4 455 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [2,0,0,0,0,0|2,0,0]=4 456 B9R0.39 CCC(SC(C)C)C(=O)O Amb17501347 [2,0,0,0,0,0|1,0,1]=4 457 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [2,0,0,0,0,0|2,0,0]=4 458 B9R0.39 CC[C@@H](CC(C)C)C(=O)O Amb28397993 [2,0,0,0,0,0|0,0,1]=3 459 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [2,0,0,0,0,0|0,0,0]=2 460 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [2,0,0,0,0,0|2,0,0]=4 461 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [2,0,0,0,0,0|0,0,0]=2 462 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [2,0,0,0,0,0|1,0,0]=3 463 B9R0.39 CNC(CC(C)C)C(=O)O Amb22274694 [2,0,0,0,0,0|0,0,0]=2 464 B9R0.39 CNC(CC(C)C)C(=O)O Amb9283589 [2,0,0,0,0,0|0,0,0]=2 465 B9R0.39 CNC(CC(C)C)C(N)=O Amb19006600 [2,0,0,0,0,0|1,0,0]=3 466 B9R0.39 CNC(CC(C)C)C(N)=O Amb32753443 [2,0,0,0,0,0|1,0,0]=3 467 B9R0.39 CNC(CN(C)C)C(=O)O Amb28388875 [2,0,0,0,0,0|1,0,0]=3 468 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb16183858 [2,0,0,0,0,0|0,0,0]=2 469 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb2779901 [2,0,0,0,0,0|0,0,0]=2 470 B9R0.39 CN[C@@H](CC(C)C)C(N)=O Amb24550819 [2,0,0,0,0,0|1,0,0]=3 471 B9R0.39 CN[C@@H](CC(C)C)C(N)=O Amb32679561 [2,0,0,0,0,0|1,0,0]=3 472 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb10842218 [2,0,0,0,0,0|0,0,0]=2 473 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb22745995 [2,0,0,0,0,0|0,0,0]=2 474 B9R0.39 COC(CC(C)C)C(=O)O Amb26656466 [2,0,0,0,0,0|1,0,0]=3 475 B9R0.39 COC(CC(C)C)C(N)=O Amb27769639 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.39 COC(CN(C)C)C(=O)O Amb27196900 [2,0,0,0,0,0|2,0,0]=4 477 B9R0.39 CO[C@@H](CC(C)C)C(=O)O Amb28126876 [2,0,0,0,0,0|1,0,0]=3 478 B9R0.39 CS(=O)NC(CO)C(=O)O Amb28193924 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.39 CSC(CC(C)C)C(=O)O Amb27658945 [2,0,0,0,0,0|1,0,0]=3 480 B9R0.39 C\C=C(\NC(C)=O)C(=O)O Amb27781271 [2,0,0,0,0,0|0,0,2]=4 481 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [2,0,0,0,0,0|2,0,0]=4 482 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [2,0,0,0,0,0|2,0,0]=4 483 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [2,0,0,0,0,0|2,0,0]=4 484 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [2,0,0,0,0,0|2,0,0]=4 485 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [2,0,0,0,0,0|2,0,0]=4 486 B9R0.53 C=C(C)C[C@@H](O)CC(C)C Amb28050778 [2,0,0,0,0,0|2,0,0]=4 487 B9R0.53 CC(=N)NC(C)CC(C)C Amb27613701 [2,0,0,0,0,0|1,0,1]=4 488 B9R0.53 CC(=O)CC(=O)CC(C)C Amb8516702 [2,0,0,0,0,0|1,0,1]=4 489 B9R0.53 CC(=O)CC(C)CC(C)C Amb20621119 [2,0,0,0,0,0|1,0,1]=4 490 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.53 CC(=O)C[C@@H](O)CC(C)C Amb27471828 [2,0,0,0,0,0|1,0,0]=3 492 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [2,0,0,0,0,0|2,0,0]=4 493 B9R0.53 CC(=O)NC(C)CC(C)Br Amb28255391 [2,0,0,0,0,0|1,0,1]=4 494 B9R0.53 CC(=O)NC(C)CC(C)Cl Amb27851051 [2,0,0,0,0,0|1,0,1]=4 495 B9R0.53 CC(=O)NC(C)OC(C)C Amb22729317 [2,0,0,0,0,0|1,0,1]=4 496 B9R0.53 CC(=O)N[C@H](C)CN(C)C Amb27198150 [2,0,0,0,0,0|1,0,1]=4 497 B9R0.53 CC(=O)OC(C)CC(C)C Amb22733405 [2,0,0,0,0,0|1,0,1]=4 498 B9R0.53 CC(=O)\C=C(/O)CC(C)C Amb28288330 [2,0,0,0,0,0|1,0,1]=4 499 B9R0.53 CC(C)CC(Br)NC(N)=O Amb27635818 [2,0,0,0,0,0|2,0,0]=4 500 B9R0.53 CC(C)CC(C)NC(=O)Cl Amb35625633 [2,0,0,0,0,0|1,0,1]=4 501 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [2,0,0,0,0,0|2,0,0]=4 502 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [2,0,0,0,0,0|2,0,0]=4 503 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [2,0,0,0,0,0|2,0,0]=4 504 B11R0.16 CC(C)(C)CC(NC=O)C(=O)O Amb33042691 [1,1,0,0,0,0|0,0,0]=2 505 B11R0.16 CC(C)(F)CC(NC=O)C(=O)O Amb33036814 [1,1,0,0,0,0|0,0,0]=2 506 B11R0.16 CC(C)(O)CC(NC=O)C(=O)O Amb33308937 [1,1,0,0,0,0|0,0,0]=2 507 B11R0.16 CC(F)(F)CC(NC=O)C(=O)O Amb33309111 [1,1,0,0,0,0|1,0,0]=3 508 B11R0.16 CCCC(NS(C)(=O)=O)C(=O)O Amb9495872 [1,1,0,0,0,0|1,0,0]=3 509 B11R0.16 C[Si](C)(C)CC(NC=O)C(=O)O Amb32796905 [1,1,0,0,0,0|0,1,0]=3 510 B11R0.16 O=CNC(CC(F)(F)F)C(=O)O Amb33042688 [1,1,0,0,0,0|2,0,0]=4 511 B11R0.39 CC(=O)NC(CCS)C(=O)NN Amb22735120 [1,1,0,0,0,0|2,0,0]=4 512 B11R0.39 COC(=O)C(CCBr)OC(C)=O Amb30588583 [1,1,0,0,0,0|2,0,0]=4 513 B11R0.39 COC(=O)C(CCBr)SC(C)=O Amb32412857 [1,1,0,0,0,0|2,0,0]=4 514 B11R0.39 COC(=O)[C@H](CC(C)C)N=C=O Amb793568 [1,1,0,0,0,0|0,0,2]=4 515 B11R0.39 COC(=O)\C(=C/C(C)C)NC=O Amb27409073 [1,1,0,0,0,0|0,0,2]=4 516 B11R0.44 CC(C)C(C)C(NC=O)C(=O)O Amb33036128 [1,1,0,0,0,0|0,0,0]=2 517 B11R0.44 CC(O)C(C)C(NC=O)C(=O)O Amb33035574 [1,1,0,0,0,0|1,0,0]=3 518 B11R0.44 CCCC(C(=O)O)C(O)C(=O)O Amb33041388 [1,1,0,0,0,0|2,0,0]=4 519 B11R0.115 C#CC(C)C(NC(C)=O)C(=O)O Amb27816267 [1,1,0,0,0,0|0,0,2]=4 520 B11R0.115 C=CC(C)C(NC(C)=O)C(=O)O Amb33308641 [1,1,0,0,0,0|0,0,2]=4 521 B11R0.115 CC(=O)NC(C(=O)O)C(C)C#N Amb33065636 [1,1,0,0,0,0|1,0,1]=4 522 B11R0.115 CC(=O)NC(C(=O)O)C(C)CO Amb33065442 [1,1,0,0,0,0|1,0,0]=3 523 B11R0.115 CCC(C)C(CC(=O)O)C(=O)O Amb33449650 [1,1,0,0,0,0|2,0,0]=4 524 B11R0.115 CCC(C)C(NC(C)=O)C(=O)O Amb9706300 [1,1,0,0,0,0|0,0,0]=2 525 B11R0.115 CCC(C)C(NC(N)=O)C(=O)O Amb9745677 [1,1,0,0,0,0|1,0,0]=3 526 B11R0.115 CCC(C)[C@H](NC(C)=O)C(=O)O Amb33523725 [1,1,0,0,0,0|0,0,0]=2 527 B11R0.115 CC[C@H](C)[C@@H](NC(C)=O)C(=O)O Amb22230215 [1,1,0,0,0,0|0,0,0]=2 528 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O Amb3939886 [1,1,0,0,0,0|0,0,0]=2 529 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(N)=O Amb31291748 [1,1,0,0,0,0|1,0,0]=3 530 B11R0.115 CC\C(C)=C(/NC(C)=O)C(=O)O Amb27634857 [1,1,0,0,0,0|0,0,2]=4 531 B11R0.115 COC(=O)C(CC(C)C)C(=O)O Amb33746105 [1,1,0,0,0,0|2,0,0]=4 532 B11R0.115 COC(C)C(NC(C)=O)C(=O)O Amb33036550 [1,1,0,0,0,0|1,0,0]=3 533 B11R0.160 C#CCCC(NC(C)=O)C(=O)O Amb33042801 [1,1,0,0,0,0|0,0,1]=3 534 B11R0.160 C=CCCC(CC(C)C)C(=O)O Amb33483522 [1,1,0,0,0,0|1,0,1]=4 535 B11R0.160 C=CCCC(NC(C)=O)C(=O)O Amb33042697 [1,1,0,0,0,0|0,0,1]=3 536 B11R0.160 CC#CCC(NC(C)=O)C(=O)O Amb25949940 [1,1,0,0,0,0|0,0,1]=3 537 B11R0.160 CC#CCC(NC(N)=O)C(=O)O Amb27864120 [1,1,0,0,0,0|1,0,1]=4 538 B11R0.160 CC(=O)NC(CCC#N)C(=O)O Amb33308987 [1,1,0,0,0,0|0,0,1]=3 539 B11R0.160 CC(=O)NC(CCCF)C(=O)O Amb33308610 [1,1,0,0,0,0|0,0,0]=2 540 B11R0.160 CC(=O)NC(CCCO)C(=O)O Amb33036789 [1,1,0,0,0,0|0,0,0]=2 541 B11R0.160 CC(=O)NC(C\C=C\Cl)C(=O)O Amb33037024 [1,1,0,0,0,0|0,0,2]=4 542 B11R0.160 CC(C)CC(CN=C=O)C(=O)O Amb33471477 [1,1,0,0,0,0|0,0,2]=4 543 B11R0.160 CCCCC(CC(=O)O)C(=O)O Amb17933248 [1,1,0,0,0,0|2,0,0]=4 544 B11R0.160 CCCCC(NC(C)=O)C(=O)O Amb2732387 [1,1,0,0,0,0|0,0,0]=2 545 B11R0.160 CCCCC(NC(N)=O)C(=O)O Amb9329824 [1,1,0,0,0,0|1,0,0]=3 546 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O Amb2732388 [1,1,0,0,0,0|0,0,0]=2 547 B11R0.160 CCOCC(NC(C)=O)C(=O)O Amb33308943 [1,1,0,0,0,0|0,0,0]=2 548 B11R0.160 CCSCC(CC(=O)O)C(=O)O Amb33323654 [1,1,0,0,0,0|2,0,0]=4 549 B11R0.160 COCCC(CC(=O)O)C(=O)O Amb33377343 [1,1,0,0,0,0|2,0,0]=4 550 B11R0.160 COCCC(NC(C)=O)C(=O)O Amb13952178 [1,1,0,0,0,0|0,0,0]=2 551 B11R0.160 CSCCC(CC(=O)O)C(=O)O Amb33475227 [1,1,0,0,0,0|2,0,0]=4 552 B11R0.160 CSCCC(NC(C)=O)C(=O)O Amb9706349 [1,1,0,0,0,0|0,0,0]=2 553 B11R0.160 CSCCC(NC(C)=O)C(=O)[O-] Amb33513247 [1,1,0,0,0,0|0,0,1]=3 554 B11R0.160 CSCCC(NC(N)=O)C(=O)O Amb1107591 [1,1,0,0,0,0|1,0,0]=3 555 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O Amb8629159 [1,1,0,0,0,0|0,0,0]=2 556 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O Amb2720580 [1,1,0,0,0,0|0,0,0]=2 557 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O Amb22800241 [1,1,0,0,0,0|1,0,0]=3 558 B11R0.160 CSCC[C@H](NC(N)=O)C(=O)O Amb32668794 [1,1,0,0,0,0|1,0,0]=3 559 B11R0.160 CSC\C=C(/NC(C)=O)C(=O)O Amb27233575 [1,1,0,0,0,0|0,0,2]=4 560 B11R0.160 C\C=C\CC(NC(C)=O)C(=O)O Amb33065773 [1,1,0,0,0,0|0,0,1]=3 561 B11R0.181 CCCC(O)(CC(=O)O)C(=O)O Amb33346916 [1,1,0,0,0,0|2,0,0]=4 562 B11R0.236 C#CCC(NC(=O)NC)C(=O)O Amb27202159 [1,1,0,0,0,0|0,0,2]=4 563 B11R0.236 C=C(CC)CC(NC=O)C(=O)O Amb33065695 [1,1,0,0,0,0|0,0,2]=4 564 B11R0.236 CC(C#N)CC(NC=O)C(=O)O Amb33308796 [1,1,0,0,0,0|0,0,1]=3 565 B11R0.236 CC(CO)CC(NC=O)C(=O)O Amb33065819 [1,1,0,0,0,0|0,0,0]=2 566 B11R0.236 CCC(=O)CC(NC=O)C(=O)O Amb33065965 [1,1,0,0,0,0|1,0,1]=4 567 B11R0.236 CCC(C)CC(NC=O)C(=O)O Amb33066206 [1,1,0,0,0,0|0,0,0]=2 568 B11R0.236 CCC(O)CC(NC=O)C(=O)O Amb33065935 [1,1,0,0,0,0|1,0,0]=3 569 B11R0.236 CCCC(NC(=O)CC)C(=O)O Amb9494928 [1,1,0,0,0,0|0,0,0]=2 570 B11R0.236 CCC[C@@H](NC(=O)CC)C(=O)O Amb32757138 [1,1,0,0,0,0|0,0,0]=2 571 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)O Amb32757125 [1,1,0,0,0,0|0,0,0]=2 572 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O Amb2781696 [1,1,0,0,0,0|0,0,0]=2 573 B11R0.236 COC(C)CC(NC=O)C(=O)O Amb33037064 [1,1,0,0,0,0|0,0,0]=2 574 B11R0.236 C\C(=C/Cl)CC(NC=O)C(=O)O Amb33308770 [1,1,0,0,0,0|0,0,2]=4 575 B11R0.236 O=CNC(CC(O)CF)C(=O)O Amb33036964 [1,1,0,0,0,0|1,0,0]=3 576 B11R0.236 O=CNC(CC(O)CO)C(=O)O Amb33036752 [1,1,0,0,0,0|1,0,0]=3 577 B11R0.35 CC(C)CC(CC(=O)O)NC=O Amb33255440 [1,1,0,0,0,0|2,0,0]=4 578 B11R0.91 CCC(=O)NC(C#N)CC(C)C Amb17400262 [1,1,0,0,0,0|1,0,1]=4 579 B11R0.144 CC(=O)N(C)C(C#N)CC(C)C Amb17400269 [1,1,0,0,0,0|1,0,1]=4 580 B11R0.210 CC(=O)NC(C)(C#N)CC(C)C Amb26847965 [1,1,0,0,0,0|1,0,1]=4 581 B11R0.108 C#CC(=O)NC(C(N)=O)C(C)C Amb27802101 [0,1,0,0,1,0|1,0,1]=4 582 B11R0.108 C#CC(=O)N[C@H](C(=O)O)C(C)C Amb27626397 [0,1,0,0,1,0|0,0,1]=3 583 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C Amb499303 [0,1,0,0,1,0|1,0,0]=3 584 B11R0.108 CC(C)=C(NC(=O)CCl)C(=O)O Amb27592142 [0,1,0,0,1,0|0,0,2]=4 585 B11R0.108 CC(C)=C(NC(=O)CN)C(=O)O Amb27224691 [0,1,0,0,1,0|0,0,2]=4 586 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O Amb1152499 [0,1,0,0,1,0|0,0,0]=2 587 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O Amb4016467 [0,1,0,0,1,0|0,0,0]=2 588 B11R0.108 CC(C)[C@@H](NC(=O)CCl)C(=O)O Amb10842261 [0,1,0,0,1,0|0,0,0]=2 589 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O Amb18795251 [0,1,0,0,1,0|0,0,0]=2 590 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O Amb8515022 [0,1,0,0,1,0|0,0,0]=2 591 B11R0.108 CC(O)C(NC(=O)CN)C(=O)O Amb18305295 [0,1,0,0,1,0|1,0,0]=3 592 B11R0.108 CCC(=O)NC(C(=O)O)C(C)C Amb1117002 [0,1,0,0,1,0|0,0,0]=2 593 B11R0.108 CCC(=O)N[C@@H](C(=O)O)C(C)C Amb18794783 [0,1,0,0,1,0|0,0,0]=2 594 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C Amb32757150 [0,1,0,0,1,0|0,0,0]=2 595 B11R0.108 CNC(=O)NC(C(N)=O)C(C)C Amb27233150 [0,1,0,0,1,0|1,0,0]=3 596 B11R0.108 CNC(=O)N[C@@H](C(=O)O)C(C)C Amb18795254 [0,1,0,0,1,0|0,0,0]=2 597 B11R0.108 CNC(=O)\C=C(/C(=O)O)C(C)C Amb27637688 [0,1,0,0,1,0|1,0,1]=4 598 B11R0.108 CNC(=S)NC(C(=O)O)C(C)C Amb28397387 [0,1,0,0,1,0|0,1,0]=3 599 B11R0.108 CNC(=S)N[C@H](C(=O)O)C(C)C Amb27392296 [0,1,0,0,1,0|0,1,0]=3 600 B11R0.108 COC(=O)NC(C(=O)O)=C(C)C Amb27210145 [0,1,0,0,1,0|0,0,2]=4 601 B11R0.108 COC(=O)NC(C(=O)O)C(C)C Amb9735812 [0,1,0,0,1,0|0,0,0]=2 602 B11R0.108 COC(=O)N[C@@H](C(=O)O)C(C)C Amb18795552 [0,1,0,0,1,0|0,0,0]=2 603 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C Amb28555706 [0,1,0,0,1,0|0,0,0]=2 604 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C Amb1106296 [0,1,0,0,1,0|0,0,0]=2 605 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)Cl Amb28290478 [0,1,0,0,1,0|0,0,0]=2 606 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S Amb1112910 [0,1,0,0,1,0|0,0,0]=2 607 B11R0.234 CC(=O)NC(C(N)=O)C(C)(C)S Amb25059234 [0,1,0,0,1,0|1,0,0]=3 608 B11R0.234 CC(=O)NC(C(N)=S)C(C)(C)S Amb27615214 [0,1,0,0,1,0|1,1,0]=4 609 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)C Amb18794784 [0,1,0,0,1,0|0,0,0]=2 610 B11R0.234 CC(=O)N[C@@H](C(C)C)C(C)(C)O Amb28319860 [0,1,0,0,1,0|1,0,1]=4 611 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C Amb24401767 [0,1,0,0,1,0|0,0,0]=2 612 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)S Amb28138068 [0,1,0,0,1,0|0,0,0]=2 613 B11R0.234 CC(C)(C)C(CC(=O)O)C(=O)O Amb18647812 [0,1,0,0,1,0|2,0,0]=4 614 B11R0.234 CC(C)(C)C(NC(N)=O)C(=O)O Amb9327782 [0,1,0,0,1,0|1,0,0]=3 615 B11R0.234 CC(C)(F)C(CC(=O)O)C(=O)O Amb33271142 [0,1,0,0,1,0|2,0,0]=4 616 B11R0.234 CC(C)CC(C(=O)O)S(C)(=O)=O Amb18189904 [0,1,0,0,1,0|1,0,0]=3 617 B11R0.234 CC(C)NC(C(=O)O)C(C)(C)O Amb31378617 [0,1,0,0,1,0|1,0,1]=4 618 B11R0.317 CC(=O)C(C(C)=O)C(=O)C(C)C Amb33129928 [0,1,0,0,1,0|1,0,1]=4 619 B11R0.317 CC(=O)N(C)C(C(=O)O)C(C)C Amb31101079 [0,1,0,0,1,0|0,0,0]=2 620 B11R0.317 CC(C)C(C(=O)O)C(O)C(=O)O Amb18647942 [0,1,0,0,1,0|2,0,0]=4 621 B11R0.317 CC(C)[C@H](C(=O)O)[C@H](O)C(=O)O Amb24117453 [0,1,0,0,1,0|2,0,0]=4 622 B11R0.426 CC(C)C(CC(C)(C)C)C(=O)O Amb33358373 [0,1,0,0,1,0|1,0,1]=4 623 B11R0.426 CC(C)C(CS(C)(=O)=O)C(=O)O Amb33055897 [0,1,0,0,1,0|2,0,0]=4 624 B11R0.426 CC(C)C(NC(C)(C)C)C(=O)O Amb17400408 [0,1,0,0,1,0|1,0,1]=4 625 B11R0.426 CC(C)C(NS(C)(=O)=O)C(=O)O Amb1116836 [0,1,0,0,1,0|1,0,0]=3 626 B11R0.426 CC(C)C(NS(C)(=O)=O)C(=O)[O-] Amb10609288 [0,1,0,0,1,0|1,0,1]=4 627 B11R0.426 CC(C)[C@@H](NS(N)(=O)=O)C(=O)O Amb33726922 [0,1,0,0,1,0|2,0,0]=4 628 B11R0.426 CC(C)[C@H](NS(C)(=O)=O)C(=O)O Amb34203563 [0,1,0,0,1,0|1,0,0]=3 629 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C Amb26506231 [0,1,0,0,1,0|0,0,0]=2 630 B11R0.427 CC(=O)NC(C)(C(=O)O)C(F)F Amb29890233 [0,1,0,0,1,0|2,0,0]=4 631 B11R0.427 CC(=O)N[C@](C)(C(=O)O)C(C)C Amb27400409 [0,1,0,0,1,0|0,0,0]=2 632 B11R0.427 CC(C)CC(C)(C(=O)O)C(=O)O Amb33097369 [0,1,0,0,1,0|1,0,0]=3 633 B11R0.427 CC(C)CC(F)(C(=O)O)C(=O)O Amb33611533 [0,1,0,0,1,0|1,0,0]=3 634 B13R0.197 COC(=O)CC(CC(=O)O)CC(C)C Amb33172691 [0,1,0,0,0,1|1,0,0]=3 635 B13R0.612 CC(=O)OC(CC(=O)O)C[N+](C)(C)C Amb10789444 [0,1,0,0,0,1|2,0,0]=4 636 B13R0.612 CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C Amb10072239 [0,1,0,0,0,1|2,0,0]=4 637 B13R0.612 CC(C)(C)CC(CC(=O)O)CC(=O)O Amb33362060 [0,1,0,0,0,1|2,0,0]=4 638 B13R0.1419 CC(C)CC(C)(CC(=O)O)CC(=O)O Amb32652427 [0,1,0,0,0,1|2,0,0]=4 639 B13R0.253 COC(=O)[C@@H](CSC(C)=O)NC(C)=O Amb30621853 [0,1,0,0,0,1|1,0,1]=4 640 B13R0.432 CNC(=O)SC[C@@H](NC(C)=O)C(=O)O Amb33872313 [0,1,0,0,0,1|1,0,1]=4 641 B13R0.613 CC(C)CC(NC(=O)C(C)N)C(=O)O Amb2732396 [0,1,0,0,0,1|1,0,1]=4 642 B13R0.613 CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)O Amb22747880 [0,1,0,0,0,1|1,0,1]=4 643 B13R0.613 CC(C)C[C@@H](NC(=O)[C@H](C)N)C(=O)O Amb22801316 [0,1,0,0,0,1|1,0,1]=4 644 B13R0.613 CC(C)C[C@H](NC(=O)[C@@H](C)N)C(=O)O Amb33780180 [0,1,0,0,0,1|1,0,1]=4 645 B13R0.613 CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)O Amb22230804 [0,1,0,0,0,1|1,0,1]=4 646 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(=O)O Amb23443355 [0,1,0,0,0,1|0,0,0]=2 647 B13R0.617 CC(C)CCC(O)(CC(=O)O)C(=O)O Amb33346931 [0,1,0,0,0,1|2,0,0]=4 648 B13R0.630 CC(=O)N[C@@H](COC(C)(C)C)C(=O)O Amb16182978 [0,1,0,0,0,1|0,0,0]=2 649 B13R0.630 CC(C)(C)OCC(CC(=O)O)C(=O)O Amb33422447 [0,1,0,0,0,1|2,0,0]=4 650 B13R0.254 COC(=O)C(CC(C)=O)C(=O)C(C)C Amb32700852 [0,2,0,0,0,0|1,0,1]=4 651 B13R0.22 CC(C)CC(NC(=O)CCN)C(=O)O Amb4035947 [0,2,0,0,0,0|0,0,0]=2 652 B13R0.22 CCCC(=O)NC(CC(C)C)C(=O)O Amb5741837 [0,2,0,0,0,0|0,0,0]=2 653 B13R0.22 CCCC(=O)N[C@H](CC(C)C)C(=O)O Amb18320628 [0,2,0,0,0,0|0,0,0]=2 654 B13R0.22 COCC(=O)NC(CC(C)C)C(=O)O Amb1119828 [0,2,0,0,0,0|0,0,0]=2 655 B13R0.200 COC(=O)C(CC(C)C)NC(=O)CCl Amb496929 [0,2,0,0,0,0|0,0,0]=2 656 B13R0.200 COC(=O)C(CC(C)C)NC(=O)CN Amb27991118 [0,2,0,0,0,0|0,0,0]=2 657 B13R0.200 COC(=O)C(CC(C)C)NC(=O)CN Amb9282322 [0,2,0,0,0,0|0,0,0]=2 658 B13R0.200 COC(=O)C[C@H](NC(C)=O)C(=O)OC Amb22746781 [0,2,0,0,0,0|1,0,1]=4 659 B13R0.200 COC(=O)[C@@H](CC(C)C)NC(=O)CN Amb33291372 [0,2,0,0,0,0|0,0,0]=2 660 B13R0.200 COC(=O)[C@H](CC(C)C)NC(=O)CN Amb33470199 [0,2,0,0,0,0|0,0,0]=2 661 B13R0.200 COC(=O)[C@H](CC(C)C)NC(=O)CN Amb33952440 [0,2,0,0,0,0|0,0,0]=2 662 B13R0.904 CCC(C)CC(O)(CC(=O)O)C(=O)O Amb33346935 [0,2,0,0,0,0|2,0,0]=4 663 B13R0.1149 COC(C)(C)CC(CC(=O)O)C(=O)O Amb33314028 [0,2,0,0,0,0|2,0,0]=4 664 B13R0.83 CCOC(=O)[C@H](CC(C)C)NC(C)=O Amb15691933 [0,2,0,0,0,0|0,0,0]=2 665 B13R0.627 CC(C)(C)CC(O)(CC(=O)O)C(=O)O Amb33346925 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.49 CCC1CC(=O)CC1C(=O)O Amb27657710 [1,0,0,1,0,0|1,0,0]=3 667 B11R1.49 CCC1NC(=O)CC1C(=O)O Amb18200025 [1,0,0,1,0,0|2,0,0]=4 668 B11R1.49 CCC1NC(=O)NC1C(=O)O Amb28385625 [1,0,0,1,0,0|1,0,0]=3 669 B11R1.49 CCC1NC(=O)NC1C(N)=O Amb27670182 [1,0,0,1,0,0|2,0,0]=4 670 B11R1.49 CCN1CC(=O)CC1C(=O)O Amb25722959 [1,0,0,1,0,0|2,0,0]=4 671 B11R1.49 CC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb25179312 [1,0,0,1,0,0|0,0,0]=2 672 B11R1.49 CC[C@@H]1NC(=O)C[C@H]1C(=O)O Amb27632492 [1,0,0,1,0,0|2,0,0]=4 673 B11R1.49 CC[C@H]1CC(=O)C[C@H]1C(=O)O Amb28144970 [1,0,0,1,0,0|1,0,0]=3 674 B11R1.49 CC[C@H]1CC(=O)N[C@@H]1C(=O)O Amb27421994 [1,0,0,1,0,0|0,0,0]=2 675 B11R1.49 NC(=O)[C@@H]1CC(N)CN1C=O Amb27632301 [1,0,0,1,0,0|2,0,0]=4 676 B11R1.49 O=CN1C[C@@H](O)C[C@H]1C(=O)O Amb28314329 [1,0,0,1,0,0|1,0,0]=3 677 B11R1.49 O=CN1C[C@H](O)C[C@@H]1C(=O)O Amb27413726 [1,0,0,1,0,0|1,0,0]=3 678 B11R1.49 O=CN1C[C@H](O)C[C@H]1C(=O)O Amb27786166 [1,0,0,1,0,0|1,0,0]=3 679 B11R1.49 O=NN1CC(O)C[C@H]1C(=O)O Amb24487956 [1,0,0,1,0,0|2,0,0]=4 680 B11R1.49 O=NN1C[C@@H](F)C[C@H]1C(=O)O Amb27444667 [1,0,0,1,0,0|2,0,0]=4 681 B11R1.49 O=NN1C[C@@H](O)C[C@@H]1C(=O)O Amb27794996 [1,0,0,1,0,0|2,0,0]=4 682 B11R1.49 O=NN1C[C@@H](O)C[C@H]1C(=O)O Amb27423867 [1,0,0,1,0,0|2,0,0]=4 683 B11R1.49 O=NN1C[C@H](F)C[C@H]1C(=O)O Amb27650659 [1,0,0,1,0,0|2,0,0]=4 684 B11R1.49 O=NN1C[C@H](O)C[C@H]1C(=O)O Amb17618587 [1,0,0,1,0,0|2,0,0]=4 685 B11R1.61 COC1C(C(=O)O)C1C(C)C Amb25775086 [1,0,0,1,0,0|2,0,0]=4 686 B11R1.61 CO[C@@H]1[C@@H](C(=O)O)[C@@H]1C(C)C Amb25179292 [1,0,0,1,0,0|2,0,0]=4 687 B11R1.74 CC(=O)C1CC(=O)CC(C)C1 Amb25937018 [1,0,0,1,0,0|2,0,0]=4 688 B11R1.74 CC1=CC(C(=O)O)CC(C)C1 Amb26585310 [1,0,0,1,0,0|1,0,0]=3 689 B11R1.74 CC1CC(=O)CC(C(=O)O)N1 Amb18200027 [1,0,0,1,0,0|2,0,0]=4 690 B11R1.74 CC1CC(=O)NC(C(=O)O)C1 Amb26352891 [1,0,0,1,0,0|0,0,0]=2 691 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Amb27628365 [1,0,0,1,0,0|2,0,0]=4 692 B11R1.74 CC1CC(C)CC(C(=O)O)C1 Amb28314873 [1,0,0,1,0,0|1,0,1]=4 693 B11R1.74 CC1CC(C)NC(C(=O)O)C1 Amb24588101 [1,0,0,1,0,0|0,0,1]=3 694 B11R1.74 CC1CC(C)NC(C(N)=O)C1 Amb27750832 [1,0,0,1,0,0|1,0,1]=4 695 B11R1.74 CC1CC(C)OC(C(=O)O)C1 Amb18830486 [1,0,0,1,0,0|1,0,1]=4 696 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(=O)O)C1 Amb28134065 [1,0,0,1,0,0|0,0,0]=2 697 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(N)=O)C1 Amb27854487 [1,0,0,1,0,0|1,0,0]=3 698 B11R1.74 C[C@@H]1C[C@@H](C(=O)O)NC(=S)N1 Amb10608553 [1,0,0,1,0,0|1,1,0]=4 699 B11R1.74 C[C@@H]1C[C@H](C(=O)O)C[C@H](C)C1 Amb24487888 [1,0,0,1,0,0|1,0,1]=4 700 B11R1.74 C[C@H]1CC(=O)N[C@@H](C(=O)O)C1 Amb28284476 [1,0,0,1,0,0|0,0,0]=2 701 B11R1.74 C[C@H]1C[C@@H](C)N[C@@H](C(=O)O)C1 Amb28132155 [1,0,0,1,0,0|0,0,1]=3 702 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 Amb18199921 [1,0,0,1,0,0|1,0,0]=3 703 B11R1.74 O=C1CC(=O)NC(C(=O)O)C1 Amb18200050 [1,0,0,1,0,0|1,0,1]=4 704 B11R1.74 O=C1CC(=O)N[C@H](C(=O)O)C1 Amb27985272 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.74 O=C1CC(O)CC(C(=O)O)N1 Amb28077591 [1,0,0,1,0,0|1,0,0]=3 706 B11R1.74 O=C1CS(=O)CC(C(=O)O)N1 Amb27444598 [1,0,0,1,0,0|2,0,0]=4 707 B11R1.86 CC(=O)CC1CCCCC1=O Amb17593853 [1,0,0,1,0,0|2,0,0]=4 708 B11R1.86 CC(=O)NC1CCCCC1O Amb18797124 [1,0,0,1,0,0|1,0,1]=4 709 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1O Amb28320855 [1,0,0,1,0,0|1,0,1]=4 710 B11R1.86 CC(=O)N[C@H]1CCCNC1=O Amb27475880 [1,0,0,1,0,0|1,0,0]=3 711 B11R1.86 CC(=O)OC1CCCCC1=O Amb10576141 [1,0,0,1,0,0|2,0,0]=4 712 B11R1.86 CC(=O)O[C@@H]1CCCNC1=O Amb27655051 [1,0,0,1,0,0|2,0,0]=4 713 B11R1.86 CC(=O)O[C@H]1CCCNC1=O Amb27830801 [1,0,0,1,0,0|2,0,0]=4 714 B11R1.86 CC(C)CC1NCCNC1=O Amb18960334 [1,0,0,1,0,0|1,0,1]=4 715 B11R1.86 CC(C)C[C@@H]1NCCNC1=O Amb18200171 [1,0,0,1,0,0|1,0,1]=4 716 B11R1.108 CC(C)C1C(=O)NC1C(C)O Amb27173688 [1,0,0,1,0,0|1,0,1]=4 717 B11R1.108 CC(C)[C@H]1C(=O)N[C@@H]1C(=O)O Amb26884869 [1,0,0,1,0,0|0,0,0]=2 718 B11R1.108 CC(C)[C@H]1C(=O)N[C@@H]1[C@H](C)O Amb26636268 [1,0,0,1,0,0|1,0,1]=4 719 B11R1.108 CC(O)C1C(=O)NC1C(=O)O Amb25189272 [1,0,0,1,0,0|1,0,0]=3 720 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [1,0,0,1,0,0|2,0,0]=4 721 B11R1.151 CC(=O)OC1(C(N)=O)CC1C Amb26928970 [1,0,0,1,0,0|2,0,0]=4 722 B11R1.151 CC(=O)O[C@@]1(C(N)=O)C[C@@H]1C Amb27422061 [1,0,0,1,0,0|2,0,0]=4 723 B11R1.151 CC(=O)O[C@]1(C(N)=O)C[C@H]1C Amb27768014 [1,0,0,1,0,0|2,0,0]=4 724 B11R1.178 C=C(C)N1CCCC1C(=O)O Amb27176559 [1,0,0,1,0,0|1,0,0]=3 725 B11R1.178 CC(=O)C1CCCC1C(=O)O Amb28120981 [1,0,0,1,0,0|1,0,0]=3 726 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [1,0,0,1,0,0|2,0,0]=4 727 B11R1.178 CC(=O)C1CNCC1C(=O)O Amb2694843 [1,0,0,1,0,0|2,0,0]=4 728 B11R1.178 CC(=O)N1CC=CC1C(=O)O Amb28254452 [1,0,0,1,0,0|0,0,2]=4 729 B11R1.178 CC(=O)N1CCC=C1C(=O)O Amb27249478 [1,0,0,1,0,0|0,0,2]=4 730 B11R1.178 CC(=O)N1CCCC1C(=N)N Amb24509062 [1,0,0,1,0,0|2,0,0]=4 731 B11R1.178 CC(=O)N1CCCC1C(=O)O Amb9745654 [1,0,0,1,0,0|0,0,0]=2 732 B11R1.178 CC(=O)N1CCCC1C(C)O Amb27971076 [1,0,0,1,0,0|1,0,1]=4 733 B11R1.178 CC(=O)N1CCCC1C(N)=O Amb4013544 [1,0,0,1,0,0|1,0,0]=3 734 B11R1.178 CC(=O)N1CCCC1C(N)=S Amb26513658 [1,0,0,1,0,0|1,1,0]=4 735 B11R1.178 CC(=O)N1CCCN1C(C)=O Amb27596957 [1,0,0,1,0,0|2,0,0]=4 736 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [1,0,0,1,0,0|0,0,0]=2 737 B11R1.178 CC(=O)N1CCC[C@@H]1C(N)=O Amb22756686 [1,0,0,1,0,0|1,0,0]=3 738 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)Cl Amb27265756 [1,0,0,1,0,0|1,0,0]=3 739 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [1,0,0,1,0,0|0,0,0]=2 740 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O Amb8393632 [1,0,0,1,0,0|1,0,0]=3 741 B11R1.178 CC(=O)N1CCSC1C(=O)O Amb18647907 [1,0,0,1,0,0|1,0,0]=3 742 B11R1.178 CC(=O)N1COCC1C(=O)O Amb27237614 [1,0,0,1,0,0|1,0,0]=3 743 B11R1.178 CC(=O)N1CSCC1C(=O)O Amb9723702 [1,0,0,1,0,0|1,0,0]=3 744 B11R1.178 CC(=O)N1CSCC1C(N)=O Amb27662068 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O Amb18795582 [1,0,0,1,0,0|1,0,0]=3 746 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [1,0,0,1,0,0|1,0,0]=3 747 B11R1.178 CC(=O)[C@@H]1CCCN1C(C)=O Amb28422607 [1,0,0,1,0,0|1,0,0]=3 748 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [1,0,0,1,0,0|2,0,0]=4 749 B11R1.178 CC(C)C1CCCC1C(=O)O Amb27878368 [1,0,0,1,0,0|1,0,1]=4 750 B11R1.178 CC(C)C1CCN[C@@H]1C(=O)O Amb25976372 [1,0,0,1,0,0|0,0,1]=3 751 B11R1.178 CC(C)C1CCOC1C(=O)O Amb24370040 [1,0,0,1,0,0|1,0,1]=4 752 B11R1.178 CC(C)C1CNCC1C(=O)O Amb18200000 [1,0,0,1,0,0|2,0,0]=4 753 B11R1.178 CC(C)N1CCCC1C(=O)O Amb9300413 [1,0,0,1,0,0|1,0,1]=4 754 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O Amb22587572 [1,0,0,1,0,0|1,0,1]=4 755 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O Amb23385291 [1,0,0,1,0,0|1,0,1]=4 756 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O Amb10608520 [1,0,0,1,0,0|1,0,1]=4 757 B11R1.178 CC(C)[C@@H]1CCC[C@H]1C(=O)O Amb25911911 [1,0,0,1,0,0|1,0,1]=4 758 B11R1.178 CC(C)[C@@H]1CCN[C@H]1C(=O)O Amb27208705 [1,0,0,1,0,0|0,0,1]=3 759 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Amb25249400 [1,0,0,1,0,0|1,0,1]=4 760 B11R1.178 CC(C)[C@@H]1CNC[C@H]1C(=O)O Amb22757835 [1,0,0,1,0,0|2,0,0]=4 761 B11R1.178 CC(C)[C@H]1CCC[C@@H]1C(=O)O Amb27845503 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.178 CC(C)[C@H]1CCN[C@@H]1C(=O)O Amb28346326 [1,0,0,1,0,0|0,0,1]=3 763 B11R1.178 CC(C)[C@H]1CCO[C@H]1C(=O)O Amb24636009 [1,0,0,1,0,0|1,0,1]=4 764 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O Amb26603698 [1,0,0,1,0,0|2,0,0]=4 765 B11R1.178 CC(C)[C@H]1CNC[C@H]1C(=O)O Amb34915029 [1,0,0,1,0,0|2,0,0]=4 766 B11R1.178 CC(C)[C@H]1CNC[C@H]1C(=O)O Amb34916313 [1,0,0,1,0,0|2,0,0]=4 767 B11R1.178 CS(=O)N1CCCC1C(=O)O Amb28195242 [1,0,0,1,0,0|1,0,0]=3 768 B11R1.178 CS(=O)N1CCC[C@H]1C(=O)O Amb27777985 [1,0,0,1,0,0|1,0,0]=3 769 B11R1.178 CS(=O)N1CSCC1C(=O)O Amb27220675 [1,0,0,1,0,0|2,0,0]=4 770 B11R1.178 C[C@@H](Cl)N1CCC[C@H]1C(=O)O Amb24564235 [1,0,0,1,0,0|1,0,1]=4 771 B11R1.178 C[C@H](Cl)N1CCC[C@H]1C(=O)O Amb26929670 [1,0,0,1,0,0|1,0,1]=4 772 B11R1.178 N=C(N)N1CCCC1C(=O)O Amb22330609 [1,0,0,1,0,0|2,0,0]=4 773 B11R1.178 N=C(N)N1CCC[C@@H]1C(=O)O Amb28342282 [1,0,0,1,0,0|2,0,0]=4 774 B11R1.178 N=C(N)N1CCC[C@H]1C(=O)O Amb22586483 [1,0,0,1,0,0|2,0,0]=4 775 B11R1.178 NC(=O)C1CCCC1C(=O)O Amb25714211 [1,0,0,1,0,0|2,0,0]=4 776 B11R1.178 NC(=O)C1CCCN1C(=O)Cl Amb28069587 [1,0,0,1,0,0|2,0,0]=4 777 B11R1.178 NC(=O)C1CCCN1C(N)=O Amb6751002 [1,0,0,1,0,0|2,0,0]=4 778 B11R1.178 NC(=O)N1CCCC1C(=O)Cl Amb27859012 [1,0,0,1,0,0|2,0,0]=4 779 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb9745667 [1,0,0,1,0,0|1,0,0]=3 780 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O Amb18787750 [1,0,0,1,0,0|1,0,0]=3 781 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)Cl Amb25921470 [1,0,0,1,0,0|2,0,0]=4 782 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Amb6893269 [1,0,0,1,0,0|1,0,0]=3 783 B11R1.178 NC(=O)N1CSCC1C(=O)O Amb6263476 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.178 NC(=O)[C@@H]1CCCN1C(=O)Cl Amb28284714 [1,0,0,1,0,0|2,0,0]=4 785 B11R1.178 NC(=O)[C@H]1CCCN1C(N)=O Amb27649102 [1,0,0,1,0,0|2,0,0]=4 786 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28142020 [1,0,0,1,0,0|2,0,0]=4 787 B11R1.178 O=C(O)C1CCCC1C(=O)Cl Amb27876458 [1,0,0,1,0,0|2,0,0]=4 788 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [1,0,0,1,0,0|2,0,0]=4 789 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [1,0,0,1,0,0|1,0,0]=3 790 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [1,0,0,1,0,0|1,0,0]=3 791 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [1,0,0,1,0,0|2,0,0]=4 792 B11R1.178 O=C(O)[C@H]1CCCN1[N+](=O)[O-] Amb27214020 [1,0,0,1,0,0|2,0,0]=4 793 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [1,0,0,1,0,0|2,0,0]=4 794 B11R1.182 CCCC1NC(=O)CNC1=O Amb27248073 [1,0,0,1,0,0|1,0,0]=3 795 B11R1.182 CCC[C@H]1NC(=O)CC[C@@H]1O Amb28286997 [1,0,0,1,0,0|1,0,1]=4 796 B11R1.182 COCC1NC(=O)CNC1=O Amb27465149 [1,0,0,1,0,0|2,0,0]=4 797 B11R1.182 COC[C@@H]1NC(=O)CNC1=O Amb27815171 [1,0,0,1,0,0|2,0,0]=4 798 B11R1.182 O=C1CNC(=O)C(CCO)N1 Amb24564424 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.182 O=C1CNC(=O)C(CCS)N1 Amb27850802 [1,0,0,1,0,0|2,0,0]=4 800 B11R1.182 O=C1CNC(=O)[C@H](CCBr)N1 Amb10601675 [1,0,0,1,0,0|2,0,0]=4 801 B11R1.184 CC1(C)OC(=O)[C@@H](CC=O)O1 Amb28251197 [1,0,0,1,0,0|2,0,0]=4 802 B11R1.497 CC(=O)C1CCCCC(=O)N1 Amb27873410 [1,0,0,1,0,0|1,0,0]=3 803 B11R1.497 CC1=NC(C(=O)O)CCCN1 Amb25807925 [1,0,0,1,0,0|1,0,1]=4 804 B11R1.497 CC1=NCCC[C@H](C(=O)O)N1 Amb27231815 [1,0,0,1,0,0|1,0,0]=3 805 B11R1.497 CC1=N[C@H](C(=O)O)CCCN1 Amb25060168 [1,0,0,1,0,0|1,0,1]=4 806 B11R1.497 NC(=O)C1CCCCC(=O)N1 Amb26852005 [1,0,0,1,0,0|1,0,0]=3 807 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [1,0,0,1,0,0|2,0,0]=4 808 B11R1.497 O=C1CCCCC(C(=O)O)C1 Amb10603800 [1,0,0,1,0,0|1,0,0]=3 809 B11R1.497 O=C1CCCCC(C(=O)O)N1 Amb19515429 [1,0,0,1,0,0|0,0,0]=2 810 B11R1.497 O=C1CCOCC(C(=O)O)C1 Amb27414004 [1,0,0,1,0,0|2,0,0]=4 811 B11R1.497 O=C1CCOC[C@H](C(=O)O)N1 Amb27483038 [1,0,0,1,0,0|1,0,0]=3 812 B11R1.497 O=C1CCSCC(C(=O)O)N1 Amb21937059 [1,0,0,1,0,0|1,0,0]=3 813 B11R1.497 O=C1NCCCC(C(=O)O)N1 Amb27657613 [1,0,0,1,0,0|1,0,0]=3 814 B11R1.497 O=C1NCCC[C@H](C(=O)O)N1 Amb27803711 [1,0,0,1,0,0|1,0,0]=3 815 B11R1.596 CCCC1C(=O)OC1C(=O)O Amb27793087 [1,0,0,1,0,0|2,0,0]=4 816 B11R1.596 CCC[C@H]1C(=O)O[C@@H]1C(=O)O Amb27657741 [1,0,0,1,0,0|2,0,0]=4 817 B11R1.644 CC1(C)CC(C(=O)O)NC1=O Amb25893103 [1,0,0,1,0,0|0,0,0]=2 818 B11R1.644 CC1(C)C[C@@H](C(=O)O)NC1=O Amb17613371 [1,0,0,1,0,0|0,0,0]=2 819 B11R1.644 CC1(C)OC(C(=O)O)CC1=O Amb27409143 [1,0,0,1,0,0|2,0,0]=4 820 B11R1.644 CN1CC(C(=O)O)CC1(C)C Amb35586335 [1,0,0,1,0,0|2,0,0]=4 821 B11R1.644 O=C(O)C1CC(F)(F)C(=O)N1 Amb25828417 [1,0,0,1,0,0|2,0,0]=4 822 B11R1.645 CC(=O)NC1CC(=O)OC1=O Amb19664157 [1,0,0,1,0,0|1,0,1]=4 823 B11R1.645 CC(=O)NC1CC(C)NC1=O Amb27403452 [1,0,0,1,0,0|1,0,0]=3 824 B11R1.645 CC(=O)NC1CC(C)OC1=O Amb27597010 [1,0,0,1,0,0|0,0,0]=2 825 B11R1.645 CC(=O)N[C@@H]1C[C@@H](C)OC1O Amb28193800 [1,0,0,1,0,0|0,0,2]=4 826 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O Amb22737462 [1,0,0,1,0,0|1,0,1]=4 827 B11R1.645 CC(=O)N[C@H]1C[C@@H](C)OC1=O Amb28052689 [1,0,0,1,0,0|0,0,0]=2 828 B11R1.645 CC(=O)OC1CC(C)NC1=O Amb28292684 [1,0,0,1,0,0|2,0,0]=4 829 B11R1.645 CC(C)=CC1NC(=O)OC1=O Amb28045733 [1,0,0,1,0,0|0,0,2]=4 830 B11R1.645 CC(C)CC1CC(=O)NC1=O Amb28201221 [1,0,0,1,0,0|2,0,0]=4 831 B11R1.645 CC(C)CC1CC(=O)OC1=O Amb27641108 [1,0,0,1,0,0|1,0,0]=3 832 B11R1.645 CC(C)CC1NC(=O)C=C1O Amb27434167 [1,0,0,1,0,0|1,0,0]=3 833 B11R1.645 CC(C)CC1NC(=O)CC1=O Amb23598534 [1,0,0,1,0,0|1,0,0]=3 834 B11R1.645 CC(C)CC1NC(=O)CC1O Amb28074131 [1,0,0,1,0,0|1,0,1]=4 835 B11R1.645 CC(C)CC1NC(=O)NC1=O Amb1105634 [1,0,0,1,0,0|1,0,0]=3 836 B11R1.645 CC(C)CC1NC(=O)OC1=O Amb22388625 [1,0,0,1,0,0|0,0,0]=2 837 B11R1.645 CC(C)CC1NC(=S)OC1=O Amb27169413 [1,0,0,1,0,0|0,1,0]=3 838 B11R1.645 CC(C)CC1OC(=O)NC1=O Amb27863042 [1,0,0,1,0,0|2,0,0]=4 839 B11R1.645 CC(C)C[C@@H]1NC(=O)CC1=O Amb18830898 [1,0,0,1,0,0|1,0,0]=3 840 B11R1.645 CC(C)C[C@@H]1NC(=O)C[C@@H]1O Amb28435699 [1,0,0,1,0,0|1,0,1]=4 841 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O Amb2688911 [1,0,0,1,0,0|0,0,0]=2 842 B11R1.645 CC(C)C[C@@H]1NC(=O)SC1=O Amb28325927 [1,0,0,1,0,0|0,1,0]=3 843 B11R1.645 CC(C)C[C@@H]1NC(=S)NC1=O Amb28200897 [1,0,0,1,0,0|1,1,0]=4 844 B11R1.645 CC(C)C[C@H]1NC(=O)C[C@@H]1O Amb27435434 [1,0,0,1,0,0|1,0,1]=4 845 B11R1.645 CC(C)NC1CC(C)OC1=O Amb27840174 [1,0,0,1,0,0|1,0,1]=4 846 B11R1.645 CC(C)\C=C1/NC(=O)OC1=O Amb27797243 [1,0,0,1,0,0|0,0,2]=4 847 B11R1.645 CC1=CC(=O)C(CC(C)C)C1 Amb27861201 [1,0,0,1,0,0|2,0,0]=4 848 B11R1.730 CC1(C)CCCC(C(=O)O)C1 Amb22059548 [1,0,0,1,0,0|1,0,1]=4 849 B11R1.730 CC1(C)CCNC(C(=O)O)C1 Amb23589292 [1,0,0,1,0,0|0,0,1]=3 850 B11R1.730 CC1(C)CCNC(C(=O)O)C1 Amb28872326 [1,0,0,1,0,0|0,0,1]=3 851 B11R1.730 CC1(C)CCNC(C(=O)O)O1 Amb33194422 [1,0,0,1,0,0|1,0,1]=4 852 B11R1.730 CC1(C)CCNC(C(N)=O)C1 Amb27625202 [1,0,0,1,0,0|1,0,1]=4 853 B11R1.730 CC1(C)CNCC(C(=O)O)C1 Amb35789444 [1,0,0,1,0,0|2,0,0]=4 854 B11R1.730 CC1(C)CNCC(C(=O)O)C1 Amb35789724 [1,0,0,1,0,0|2,0,0]=4 855 B11R1.782 C=CCC1(C(=O)O)CC(C)C1 Amb35651459 [1,0,0,1,0,0|1,0,1]=4 856 B11R1.782 CC1CC(NC=O)(C(=O)O)C1 Amb27757404 [1,0,0,1,0,0|0,0,0]=2 857 B11R1.782 CCCC1(C(=O)O)CC(=O)C1 Amb33374800 [1,0,0,1,0,0|1,0,0]=3 858 B11R1.782 CCCC1(C(=O)O)CC(C)C1 Amb23449209 [1,0,0,1,0,0|1,0,1]=4 859 B11R1.782 CCSC1(C(=O)O)CC(=O)C1 Amb27470440 [1,0,0,1,0,0|2,0,0]=4 860 B11R1.782 CCSC1(C(=O)O)CC(C)C1 Amb26590380 [1,0,0,1,0,0|1,0,1]=4 861 B11R1.782 COCC1(C(=O)O)CC(=O)C1 Amb33429411 [1,0,0,1,0,0|2,0,0]=4 862 B11R1.782 COCC1(C(=O)O)CC(C)C1 Amb30666540 [1,0,0,1,0,0|2,0,0]=4 863 B11R1.782 CSCC1(C(=O)O)CC(=O)C1 Amb33269654 [1,0,0,1,0,0|2,0,0]=4 864 B11R1.782 O=C1CC(CCF)(C(=O)O)C1 Amb33195740 [1,0,0,1,0,0|2,0,0]=4 865 B11R1.793 CC1(C)CC1(NC=O)C(=O)O Amb25704988 [1,0,0,1,0,0|0,0,0]=2 866 B11R1.793 CC1(C)CC1(NC=O)C(N)=O Amb27952322 [1,0,0,1,0,0|1,0,0]=3 867 B11R1.793 CC1(C)C[C@@]1(NC=O)C(=O)O Amb27607725 [1,0,0,1,0,0|0,0,0]=2 868 B11R1.793 CC1(C)C[C@@]1(NC=O)C(N)=O Amb26507696 [1,0,0,1,0,0|1,0,0]=3 869 B11R1.793 CCCC1(C(=O)O)CC1(C)C Amb24423445 [1,0,0,1,0,0|1,0,1]=4 870 B11R1.793 COCC1(C(=O)O)CC1(C)C Amb23541311 [1,0,0,1,0,0|2,0,0]=4 871 B11R1.793 CSCC1(C(=O)O)CC1(C)C Amb33271712 [1,0,0,1,0,0|2,0,0]=4 872 B11R1.806 CCN[C@H](CC1CC1)C(=O)O Amb33347503 [1,0,0,1,0,0|0,0,1]=3 873 B11R1.806 O=C=NC(CC1CC1)C(=O)O Amb33471425 [1,0,0,1,0,0|0,0,2]=4 874 B11R1.806 O=C=N[C@@H](CC1CC1)C(=O)O Amb33471383 [1,0,0,1,0,0|0,0,2]=4 875 B11R1.806 O=CNC(CC1CC1)C(=O)O Amb27672871 [1,0,0,1,0,0|0,0,0]=2 876 B11R1.806 O=CN[C@@H](CC1CC1)C(=O)O Amb27671017 [1,0,0,1,0,0|0,0,0]=2 877 B11R1.925 CC(=O)NC(C(=O)O)C1CC1 Amb18300436 [1,0,0,1,0,0|0,0,0]=2 878 B11R1.925 CS(=O)NC(C(=O)O)C1CC1 Amb27272518 [1,0,0,1,0,0|1,0,0]=3 879 B11R1.925 O=C(O)CC(C(=O)O)C1CC1 Amb27990116 [1,0,0,1,0,0|2,0,0]=4 880 B11R1.929 CC(=O)CC1(C(=O)O)CCC1 Amb25893452 [1,0,0,1,0,0|1,0,0]=3 881 B11R1.929 CC(=O)CC1(C(N)=O)CCC1 Amb27853639 [1,0,0,1,0,0|2,0,0]=4 882 B11R1.929 CC(=O)NC1(C(N)=O)CNC1 Amb27471171 [1,0,0,1,0,0|2,0,0]=4 883 B11R1.929 CC(C)CC1(C(=O)O)CCC1 Amb20668017 [1,0,0,1,0,0|1,0,1]=4 884 B11R1.929 CC(C)CC1(C(=O)O)CNC1 Amb27850062 [1,0,0,1,0,0|2,0,0]=4 885 B11R1.929 CC(C)CC1(C(=O)O)COC1 Amb32645649 [1,0,0,1,0,0|2,0,0]=4 886 B11R1.929 NC(=O)CC1(C(=O)O)CCC1 Amb28367169 [1,0,0,1,0,0|2,0,0]=4 887 B11R1.10 CC1(C)CC(=O)C=C(C=O)C1 Amb18125417 [1,0,0,1,0,0|1,0,1]=4 888 B11R1.10 CC1(C)CC(=O)CC(C=O)C1 Amb27823399 [1,0,0,1,0,0|1,0,0]=3 889 B11R1.10 CC1=CC(C=O)CC(C)(C)C1 Amb27654076 [1,0,0,1,0,0|2,0,0]=4 890 B11R1.157 CC(=O)N[C@@H]1C=CO[C@@H](C)C1 Amb28052684 [1,0,0,1,0,0|2,0,0]=4 891 B11R1.157 CC(C)CC1C=CCC(=O)N1 Amb27856117 [1,0,0,1,0,0|1,0,0]=3 892 B11R1.157 CC(C)CC1CNCC(=O)N1 Amb27154867 [1,0,0,1,0,0|1,0,1]=4 893 B11R1.157 CC(C)CC1COCC(=O)N1 Amb26325350 [1,0,0,1,0,0|0,0,1]=3 894 B11R1.157 CC(C)C[C@@H]1CNCC(=O)N1 Amb26947388 [1,0,0,1,0,0|1,0,1]=4 895 B11R1.157 CC(C)C[C@H]1CNCC(=O)N1 Amb25865507 [1,0,0,1,0,0|1,0,1]=4 896 B11R1.157 CC(C)C[C@H]1COCC(=O)N1 Amb28131501 [1,0,0,1,0,0|0,0,1]=3 897 B11R1.414 CC(C)CC1(CO)CC(=O)N1 Amb27666014 [1,0,0,1,0,0|0,0,1]=3 898 B11R1.710 CC1(C)CC(NC(=O)Cl)CO1 Amb35636887 [1,0,0,1,0,0|1,0,1]=4 899 B11R1.1032 CC(=O)NC(CO)CC1CC1 Amb27270357 [1,0,0,1,0,0|0,0,1]=3 900 B11R1.1032 NC(=O)NC(CO)CC1CC1 Amb27271881 [1,0,0,1,0,0|1,0,1]=4 901 B11R1.1069 C=C(C)CC1(C=O)CC1(C)C Amb33212536 [1,0,0,1,0,0|2,0,0]=4 902 B11R1.150 CC(C)C(C(=O)O)C1CC1C Amb33145040 [0,0,0,1,1,0|1,0,1]=4 903 B11R1.167 C=C(C)C1NC(=O)CCC1C Amb27248271 [0,0,0,1,1,0|2,0,0]=4 904 B11R1.167 C=C1CCC(C)C(C(=O)O)C1 Amb28119008 [0,0,0,1,1,0|2,0,0]=4 905 B11R1.167 CC(=O)C1CC(=O)CCC1C Amb27199692 [0,0,0,1,1,0|2,0,0]=4 906 B11R1.167 CC(=O)C1CC(C)CCC1=O Amb18796760 [0,0,0,1,1,0|1,0,0]=3 907 B11R1.167 CC(=O)C1CC(C)CCC1=S Amb27823420 [0,0,0,1,1,0|1,1,0]=4 908 B11R1.167 CC(=O)C1CN(C)CCC1=O Amb20413989 [0,0,0,1,1,0|2,0,0]=4 909 B11R1.167 CC(=O)[C@@H]1CC(=O)CC[C@H]1C Amb27768027 [0,0,0,1,1,0|2,0,0]=4 910 B11R1.167 CC(C)C1CC(=O)CCC1=O Amb27272752 [0,0,0,1,1,0|2,0,0]=4 911 B11R1.167 CC(C)C1NC(=O)CCC1=O Amb27162024 [0,0,0,1,1,0|1,0,0]=3 912 B11R1.167 CC(C)C1NC(=O)CNC1=O Amb5720088 [0,0,0,1,1,0|1,0,0]=3 913 B11R1.167 CC(C)C1NC(=O)COC1=O Amb25233041 [0,0,0,1,1,0|0,0,0]=2 914 B11R1.167 CC(C)C1OC(=O)CNC1=O Amb27394155 [0,0,0,1,1,0|2,0,0]=4 915 B11R1.167 CC(C)[C@@H]1NC(=O)CC[C@@H]1O Amb27950163 [0,0,0,1,1,0|1,0,1]=4 916 B11R1.167 CC(C)[C@@H]1NC(=O)CC[C@H]1O Amb26438841 [0,0,0,1,1,0|1,0,1]=4 917 B11R1.167 CC(C)[C@@H]1NC(=O)CNC1=O Amb2719613 [0,0,0,1,1,0|1,0,0]=3 918 B11R1.167 CC(C)[C@H]1NC(=O)CNC1=O Amb540835 [0,0,0,1,1,0|1,0,0]=3 919 B11R1.167 CC(F)C1NC(=O)CNC1=O Amb27464391 [0,0,0,1,1,0|2,0,0]=4 920 B11R1.167 CC(O)C1NC(=O)CNC1=O Amb25095695 [0,0,0,1,1,0|2,0,0]=4 921 B11R1.167 CC1=NCC(O)C(C(=O)O)N1 Amb24392171 [0,0,0,1,1,0|2,0,0]=4 922 B11R1.167 CC1=NNC(=O)C(C(C)C)N1 Amb17968274 [0,0,0,1,1,0|2,0,0]=4 923 B11R1.167 CC1CCC(=O)C(C(=O)O)C1 Amb33194615 [0,0,0,1,1,0|0,0,0]=2 924 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [0,0,0,1,1,0|1,0,0]=3 925 B11R1.167 CC1CCC(=O)CC1C(N)=O Amb32865390 [0,0,0,1,1,0|2,0,0]=4 926 B11R1.167 CC1CCC(C)C(C(=O)O)C1 Amb27870887 [0,0,0,1,1,0|1,0,1]=4 927 B11R1.167 CC1CCC(C)C(C(=O)O)N1 Amb33072383 [0,0,0,1,1,0|1,0,1]=4 928 B11R1.167 CC1CCC(Cl)=C(C(=O)O)C1 Amb8844856 [0,0,0,1,1,0|1,0,1]=4 929 B11R1.167 CC1CCC(N)C(C(=O)O)C1 Amb18200001 [0,0,0,1,1,0|1,0,1]=4 930 B11R1.167 CC1CNC(=O)C(C(=O)O)C1 Amb26570606 [0,0,0,1,1,0|1,0,0]=3 931 B11R1.167 CC1CNC(=O)C(C(=O)O)N1 Amb27670120 [0,0,0,1,1,0|2,0,0]=4 932 B11R1.167 CC1CNC(=O)CC1C(=O)O Amb33099388 [0,0,0,1,1,0|2,0,0]=4 933 B11R1.167 CN1CCC(=O)CC1C(=O)O Amb18200028 [0,0,0,1,1,0|2,0,0]=4 934 B11R1.167 C[C@@H](O)[C@@H]1NC(=O)CNC1=O Amb26451023 [0,0,0,1,1,0|2,0,0]=4 935 B11R1.167 C[C@H]1CC[C@@H](C)[C@@H](C(=O)O)C1 Amb26927968 [0,0,0,1,1,0|1,0,1]=4 936 B11R1.167 C[C@H]1OCC(=O)N[C@@H]1C(=O)O Amb27453688 [0,0,0,1,1,0|1,0,0]=3 937 B11R1.167 C[C@H]1OCC(=O)N[C@@H]1C(N)=O Amb27973909 [0,0,0,1,1,0|2,0,0]=4 938 B11R1.167 NC(=O)C1NC(=O)CCC1O Amb27209797 [0,0,0,1,1,0|2,0,0]=4 939 B11R1.167 O=C1CC[C@H](O)[C@H](C(=O)O)N1 Amb25174915 [0,0,0,1,1,0|1,0,0]=3 940 B11R1.488 CC(=O)C1CC(C)(C)OC1=O Amb18200226 [0,0,0,1,1,0|0,0,0]=2 941 B11R1.488 CC(=O)N1CC(C)(C)OC1=O Amb27860290 [0,0,0,1,1,0|1,0,0]=3 942 B11R1.488 CC(C)[C@@H]1NC(C)(C)OC1=O Amb27784664 [0,0,0,1,1,0|1,0,1]=4 943 B11R1.488 CC1(C)CC(=O)C(C(N)=O)C1 Amb24486563 [0,0,0,1,1,0|1,0,0]=3 944 B11R1.488 CC1(C)CC(C(=O)O)C(=O)O1 Amb11014536 [0,0,0,1,1,0|1,0,0]=3 945 B11R1.488 CC1(C)CC(F)C(C(=O)O)C1 Amb28208602 [0,0,0,1,1,0|1,0,1]=4 946 B11R1.488 CC1(C)CC(O)C(C(=O)O)C1 Amb18126148 [0,0,0,1,1,0|0,0,2]=4 947 B11R1.488 CC1(C)C[C@@H](N)[C@H](C(=O)O)C1 Amb27231806 [0,0,0,1,1,0|1,0,1]=4 948 B11R1.488 CC1(C)OC(=O)[C@H](C(=O)O)O1 Amb28250092 [0,0,0,1,1,0|2,0,0]=4 949 B11R1.488 CC1=C(C(=O)O)CC(C)(C)O1 Amb27392364 [0,0,0,1,1,0|0,0,2]=4 950 B11R1.488 CN(C)C1CC(C)(C)OC1=O Amb27768321 [0,0,0,1,1,0|2,0,0]=4 951 B11R1.488 CN1CC(C)(C)CC1C(=O)O Amb25150795 [0,0,0,1,1,0|2,0,0]=4 952 B11R1.488 CN1CC(C)(C)CC1C(=O)O Amb33483861 [0,0,0,1,1,0|2,0,0]=4 953 B11R1.488 CN1CC(C)(C)C[C@@H]1C(=O)O Amb31307959 [0,0,0,1,1,0|2,0,0]=4 954 B11R1.488 CN1CC(C)(C)C[C@H]1C(=O)O Amb25148306 [0,0,0,1,1,0|2,0,0]=4 955 B11R1.488 C\C(O)=C1\CC(C)(C)OC1=O Amb24747083 [0,0,0,1,1,0|0,0,2]=4 956 B11R1.489 CC(=O)C1OC(=O)CC1(C)C Amb27828856 [0,0,0,1,1,0|2,0,0]=4 957 B11R1.489 CC(=O)N1NC(=O)CC1(C)C Amb26321960 [0,0,0,1,1,0|2,0,0]=4 958 B11R1.489 CC1(C)CC(=O)CC1C(=O)O Amb27408973 [0,0,0,1,1,0|1,0,0]=3 959 B11R1.489 CC1(C)CC(=O)NC1C(=O)O Amb18126047 [0,0,0,1,1,0|0,0,0]=2 960 B11R1.489 CC1(C)CC(=O)N[C@@H]1C(=O)O Amb24551055 [0,0,0,1,1,0|0,0,0]=2 961 B11R1.489 CC1(C)CC(=O)OC1C(=O)Cl Amb27617287 [0,0,0,1,1,0|2,0,0]=4 962 B11R1.489 CC1(C)NC(=O)CC1C(=O)O Amb33743833 [0,0,0,1,1,0|2,0,0]=4 963 B11R1.489 CC1(C)OC(=O)CC1C(=O)O Amb533948 [0,0,0,1,1,0|2,0,0]=4 964 B11R1.489 CC1(C)SC(=O)N[C@@H]1C(=O)O Amb27231722 [0,0,0,1,1,0|1,0,0]=3 965 B11R1.489 CC1=NC(C(=O)O)C(C)(C)S1 Amb27823319 [0,0,0,1,1,0|0,1,1]=4 966 B11R1.489 CC1NC(C(=O)O)C(C)(C)S1 Amb18127519 [0,0,0,1,1,0|0,1,1]=4 967 B11R1.489 CC1N[C@@H](C(=O)O)C(C)(C)S1 Amb8515217 [0,0,0,1,1,0|0,1,1]=4 968 B11R1.495 CC(=O)CN1C(=O)OCC1C Amb27613222 [0,0,0,1,1,0|2,0,0]=4 969 B11R1.495 CC(=O)NN1C(=O)CCC1C Amb26353419 [0,0,0,1,1,0|2,0,0]=4 970 B11R1.495 CC(C)CC1C(=O)COC1C Amb29864315 [0,0,0,1,1,0|1,0,1]=4 971 B11R1.495 CC(C)CN1C(=O)CNC1=O Amb17597591 [0,0,0,1,1,0|2,0,0]=4 972 B11R1.495 CC(C)CN1C(=O)CSC1=O Amb17835924 [0,0,0,1,1,0|1,1,0]=4 973 B11R1.495 CC(N)CN1C(=O)COC1=O Amb22642678 [0,0,0,1,1,0|2,0,0]=4 974 B11R1.495 CC(N)CN1C(=O)COC1=O Amb32662196 [0,0,0,1,1,0|2,0,0]=4 975 B11R1.495 CC1=C(CC(C)C)C(=O)ON1 Amb25073950 [0,0,0,1,1,0|1,0,1]=4 976 B11R1.495 CC1=NOC(=O)N1CC(C)C Amb27840172 [0,0,0,1,1,0|2,0,0]=4 977 B11R1.581 C=C(C)C1(C(=O)O)CC(N)C1 Amb33199189 [0,0,0,1,1,0|2,0,0]=4 978 B11R1.581 C=C(C)C1(C(=O)O)CC(O)C1 Amb33199190 [0,0,0,1,1,0|2,0,0]=4 979 B11R1.581 CC(C)C1(C(=O)O)CC(=O)C1 Amb24651079 [0,0,0,1,1,0|1,0,0]=3 980 B11R1.581 CC(O)C1(C(=O)O)CC(=O)C1 Amb24552967 [0,0,0,1,1,0|2,0,0]=4 981 B11R1.581 CC1CC(C(=O)O)(C(C)C)C1 Amb24592071 [0,0,0,1,1,0|1,0,1]=4 982 B11R1.581 CC1CC(C(N)=O)(C(N)=O)C1 Amb28319373 [0,0,0,1,1,0|2,0,0]=4 983 B11R1.581 O=C(O)C1(C(=O)O)CC(Br)C1 Amb22498972 [0,0,0,1,1,0|2,0,0]=4 984 B11R1.581 O=C(O)C1(C(=O)O)CC(Cl)C1 Amb20247646 [0,0,0,1,1,0|2,0,0]=4 985 B11R1.581 O=C(O)C1(C(=O)O)CC(F)C1 Amb26420398 [0,0,0,1,1,0|2,0,0]=4 986 B11R1.581 O=C(O)C1(C(=O)O)CC(O)C1 Amb25974996 [0,0,0,1,1,0|2,0,0]=4 987 B11R1.584 CC(=O)NC1C(=O)SC1(C)C Amb3483317 [0,0,0,1,1,0|0,1,0]=3 988 B11R1.732 C=C(C)C1C(C(=O)O)C1(C)C Amb33199506 [0,0,0,1,1,0|2,0,0]=4 989 B11R1.732 C=C(C)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb33226188 [0,0,0,1,1,0|2,0,0]=4 990 B11R1.732 CC(=O)C1C(C(=O)Cl)C1(C)C Amb25798467 [0,0,0,1,1,0|2,0,0]=4 991 B11R1.732 CC(=O)C1C(C(=O)O)C1(C)C Amb27232878 [0,0,0,1,1,0|1,0,0]=3 992 B11R1.732 CC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb27229293 [0,0,0,1,1,0|1,0,0]=3 993 B11R1.732 CC(=O)[C@H]1[C@H](C(=O)O)C1(C)C Amb27776755 [0,0,0,1,1,0|1,0,0]=3 994 B11R1.732 CC(C)C1C(C(=O)O)C1(C)C Amb25685292 [0,0,0,1,1,0|1,0,1]=4 995 B11R1.732 CC(C)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb33360295 [0,0,0,1,1,0|1,0,1]=4 996 B11R1.732 CC1(C)C(C(=O)O)C1C(=O)O Amb25102507 [0,0,0,1,1,0|2,0,0]=4 997 B11R1.732 CC1(C)C(C(N)=O)C1C(=O)O Amb24048905 [0,0,0,1,1,0|2,0,0]=4 998 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)O Amb27251977 [0,0,0,1,1,0|2,0,0]=4 999 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(N)=O Amb27764479 [0,0,0,1,1,0|2,0,0]=4 1000 B11R1.732 CC1(C)[C@H](C(=O)O)[C@H]1C(=O)O Amb27467656 [0,0,0,1,1,0|2,0,0]=4 1001 B11R1.739 C=C(C)C1(C(=O)O)CC1(C)C Amb33199249 [0,0,0,1,1,0|1,0,0]=3 1002 B11R1.739 CC(C)C1(C(=O)O)CC1(C)C Amb33450064 [0,0,0,1,1,0|1,0,1]=4 1003 B11R1.739 CC1(C)OC1(C(N)=O)C(=O)O Amb27617314 [0,0,0,1,1,0|2,0,0]=4 1004 B11R1.1381 C=C(C)C(NC1CC1)C(=O)O Amb27269097 [0,0,0,1,1,0|2,0,0]=4 1005 B11R1.1381 CC(=O)C(CC1CO1)C(C)=O Amb27672363 [0,0,0,1,1,0|2,0,0]=4 1006 B11R1.1381 CC(C)C(CC1CC1)C(=O)O Amb27986530 [0,0,0,1,1,0|1,0,1]=4 1007 B11R1.1381 CC(C)C(NC1CC1)C(=O)O Amb17400027 [0,0,0,1,1,0|1,0,1]=4 1008 B11R1.1381 CN(C)C(CC1CC1)C(=O)O Amb18199963 [0,0,0,1,1,0|2,0,0]=4 1009 B11R1.1381 O=C(O)C(CC1CC1)C(=O)O Amb25379825 [0,0,0,1,1,0|1,0,0]=3 1010 B11R1.1381 O=C(O)C(CC1CO1)C(=O)O Amb27990204 [0,0,0,1,1,0|2,0,0]=4 1011 B13R1.3487 CC(=O)O[C@@H]1CC(=O)O[C@H]1[C@H](C)O Amb27662415 [0,0,0,1,0,1|2,0,0]=4 1012 B13R1.3487 CC(=O)O[C@@H]1OC(=O)N[C@H]1C(C)C Amb28072961 [0,0,0,1,0,1|2,0,0]=4 1013 B13R1.3487 CC(C)CC1CC(=O)NC1C(=O)O Amb27407450 [0,0,0,1,0,1|2,0,0]=4 1014 B13R1.3487 CC(C)CN1CC(=O)CC1C(=O)O Amb26357491 [0,0,0,1,0,1|2,0,0]=4 1015 B13R1.3487 CC(C)CN1NC(=O)CC1C(=O)O Amb25251846 [0,0,0,1,0,1|1,0,0]=3 1016 B13R1.3487 CC(C)C[C@@H]1NC(=O)C[C@H]1C(=O)O Amb18191385 [0,0,0,1,0,1|0,0,0]=2 1017 B13R1.3487 CC(C)C[C@@H]1NC(=O)O[C@H]1C(=O)O Amb28051892 [0,0,0,1,0,1|1,0,0]=3 1018 B13R1.3487 CC(C)C[C@H]1NC(=O)O[C@@H]1C(=O)O Amb27863589 [0,0,0,1,0,1|1,0,0]=3 1019 B13R1.3487 CC(C)C[C@H]1NC(=O)O[C@H]1C(=O)O Amb27478066 [0,0,0,1,0,1|1,0,0]=3 1020 B13R1.3487 CC(C)[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18191379 [0,0,0,1,0,1|2,0,0]=4 1021 B13R1.3741 CC(=O)NC(CC(=O)O)C1CC1C Amb33255622 [0,0,0,1,0,1|0,0,0]=2 1022 B13R1.3741 CC(=O)N[C@@H](CC(=O)O)C1CC1C Amb32787268 [0,0,0,1,0,1|0,0,0]=2 1023 B13R1.3741 CC(=O)N[C@H](CC(=O)O)C1CC1C Amb33255018 [0,0,0,1,0,1|0,0,0]=2 1024 B13R1.3741 CC1CC1C(CC(=O)O)CC(=O)O Amb33143855 [0,0,0,1,0,1|2,0,0]=4 1025 B13R1.5121 CC(=O)NC(CC(=O)O)CC1CC1 Amb33254259 [0,0,0,1,0,1|0,0,0]=2 1026 B13R1.5121 O=C(O)CC(CC(=O)O)CC1CC1 Amb33361165 [0,0,0,1,0,1|2,0,0]=4 1027 B13R1.8006 CC(=O)NC1(CC(=O)O)CC(C)C1 Amb33254826 [0,0,0,1,0,1|0,0,0]=2 1028 B13R1.8374 CC(=O)NC1CC(=O)CC(C)(C)C1 Amb27828084 [0,0,0,1,0,1|1,0,0]=3 1029 B13R1.8374 CC(=O)NC1CC(O)CC(C)(C)C1 Amb30025345 [0,0,0,1,0,1|1,0,1]=4 1030 B13R1.8374 CC1(C)CC(=O)CC(OC(N)=O)C1 Amb27794414 [0,0,0,1,0,1|2,0,0]=4 1031 B13R1.8374 CC1(C)CC(CC(=O)O)CC(=O)O1 Amb27760401 [0,0,0,1,0,1|2,0,0]=4 1032 B13R1.8846 CC(C)=CC1CC(C)(C)C1C(=O)O Amb27755073 [0,0,0,1,0,1|2,0,0]=4 1033 B13R1.8846 CC(C)=C[C@@H]1CC(C)(C)[C@@H]1C(=O)O Amb28131401 [0,0,0,1,0,1|2,0,0]=4 1034 B13R1.126 CC(=O)N1CC(O)CC(C(=O)O)C1 Amb35687031 [0,0,0,1,0,1|1,0,0]=3 1035 B13R1.126 CC(C)C1CC(=O)CC(C(=O)O)N1 Amb18191400 [0,0,0,1,0,1|1,0,0]=3 1036 B13R1.126 CC(C)C1CS(=O)CC(C(=O)O)N1 Amb27666704 [0,0,0,1,0,1|2,0,0]=4 1037 B13R1.126 CC(C)C1NC(=O)CC(C(=O)O)N1 Amb27201654 [0,0,0,1,0,1|2,0,0]=4 1038 B13R1.126 CC(C)[C@H]1NC(=O)C[C@@H](C(=O)O)N1 Amb27419950 [0,0,0,1,0,1|2,0,0]=4 1039 B13R1.126 CC1CC(C(=O)O)CN(C(C)C)C1 Amb27214933 [0,0,0,1,0,1|1,0,1]=4 1040 B13R1.126 CC1CC(C(=O)O)CN(C(N)=O)C1 Amb27469961 [0,0,0,1,0,1|1,0,0]=3 1041 B13R1.126 CC1CC(C(=O)O)CN(S(C)=O)C1 Amb27618907 [0,0,0,1,0,1|1,0,0]=3 1042 B13R1.126 CS(=O)N1CC(O)CC(C(=O)O)C1 Amb35687188 [0,0,0,1,0,1|2,0,0]=4 1043 B13R1.126 NC(=O)N1CC(O)CC(C(=O)O)C1 Amb35687446 [0,0,0,1,0,1|2,0,0]=4 1044 B13R1.126 O=C(O)C1CC(O)CC(C(=O)O)N1 Amb5719239 [0,0,0,1,0,1|2,0,0]=4 1045 B13R1.138 CC(C)CC1CC(C(=O)O)OC1=O Amb27179208 [0,0,0,1,0,1|2,0,0]=4 1046 B13R1.165 CC(=O)N1CC(=O)NCC1C(=O)O Amb27167433 [0,0,0,1,0,1|1,0,1]=4 1047 B13R1.165 CC(C)C1CC(=O)CCC1C(=O)O Amb27209920 [0,0,0,1,0,1|1,0,0]=3 1048 B13R1.165 CC(C)N1CC(=O)NCC1C(=O)O Amb27948402 [0,0,0,1,0,1|1,0,0]=3 1049 B13R1.165 C[C@H]1CC[C@H](C(=O)O)[C@@H](C(=O)O)C1 Amb27634921 [0,0,0,1,0,1|2,0,0]=4 1050 B13R1.165 C[C@H]1CC[C@H](C(=O)O)[C@H](C(=O)O)C1 Amb27984874 [0,0,0,1,0,1|2,0,0]=4 1051 B13R1.1053 CC1(C)SC(C(=O)O)NC1C(=O)O Amb24611167 [0,0,0,1,0,1|2,0,0]=4 1052 B13R1.1053 CC1(C)SC(C(=O)O)N[C@H]1C(=O)O Amb2755680 [0,0,0,1,0,1|2,0,0]=4 1053 B13R1.2015 CC(C)=CC1C(C(=O)O)CC1(C)C Amb28074508 [0,0,0,1,0,1|2,0,0]=4 1054 B13R1.2015 CC1(C)C[C@@H](C(=O)O)[C@@H]1CC(=O)O Amb28244798 [0,0,0,1,0,1|2,0,0]=4 1055 B13R1.2015 CC1(C)C[C@@H](C(=O)O)[C@H]1CC(=O)O Amb27477851 [0,0,0,1,0,1|2,0,0]=4 1056 B13R1.3411 CC(=O)NC1COC(C)(C)CC1=O Amb17594780 [0,0,0,1,0,1|1,0,0]=3 1057 B13R1.3451 CC(C)CNC1CC(C)(C)OC1=O Amb28065486 [0,0,0,1,0,1|1,0,1]=4 1058 B13R1.3451 CC1(C)C\C(=N/NC(N)=O)C(=O)O1 Amb27847915 [0,0,0,1,0,1|1,0,1]=4 1059 B13R1.3737 CC1CC1\C(=N\NC(N)=O)C(=O)O Amb27760495 [0,0,0,1,0,1|1,0,1]=4 1060 B13R1.3760 CC(=O)NC(CC1CC1C)C(=O)O Amb32937032 [0,0,0,1,0,1|0,0,0]=2 1061 B13R1.5889 C=C(C)CC1(C(=O)O)CCC(C)C1 Amb28288957 [0,0,0,1,0,1|2,0,0]=4 1062 B13R1.5889 C=C1CCC(CC(C)C)(C(=O)O)C1 Amb25899938 [0,0,0,1,0,1|2,0,0]=4 1063 B13R1.5889 CC(=O)NC1(C(=O)O)CCC(C)C1 Amb28383646 [0,0,0,1,0,1|0,0,0]=2 1064 B13R1.5889 CC(=O)NC1(C(=O)O)COC(C)C1 Amb30011004 [0,0,0,1,0,1|0,0,0]=2 1065 B13R1.5889 CC(C)CC1(C(=O)O)CC(O)CN1 Amb35656595 [0,0,0,1,0,1|0,0,2]=4 1066 B13R1.5889 CC(C)CC1(C(=O)O)CCC(=O)C1 Amb28397610 [0,0,0,1,0,1|1,0,0]=3 1067 B13R1.5889 CC(C)CC1(C(=O)O)CNC(=O)C1 Amb26039951 [0,0,0,1,0,1|0,0,0]=2 1068 B13R1.5889 CC(C)CC1(C(=O)O)CNC(=O)N1 Amb33745679 [0,0,0,1,0,1|1,0,0]=3 1069 B13R1.5889 CC(C)CC1(C(=O)O)CNC(=O)O1 Amb33728461 [0,0,0,1,0,1|1,0,0]=3 1070 B13R1.5889 CC(C)NC1(C(=O)O)COC(C)C1 Amb30011006 [0,0,0,1,0,1|1,0,1]=4 1071 B13R1.8011 CC(=O)OCC1(C(=O)O)CC(C)C1 Amb32946557 [0,0,0,1,0,1|1,0,0]=3 1072 B13R1.8011 CC(C)=CCC1(C(=O)O)CC(C)C1 Amb35643908 [0,0,0,1,0,1|2,0,0]=4 1073 B13R1.8011 CC(C)CSC1(C(=O)O)CC(=O)C1 Amb32716415 [0,0,0,1,0,1|1,0,0]=3 1074 B13R1.8011 CC(C)OCC1(C(=O)O)CC(=O)C1 Amb33274470 [0,0,0,1,0,1|1,0,0]=3 1075 B13R1.8011 CN(C)CCC1(C(=O)O)CC(=O)C1 Amb33271632 [0,0,0,1,0,1|2,0,0]=4 1076 B13R1.8761 CC(=O)N1C(C(=O)O)=CSC1(C)C Amb27949667 [0,0,0,1,0,1|0,0,2]=4 1077 B13R1.8761 CC(=O)N1C(C(=O)O)CCC1(C)C Amb26552368 [0,0,0,1,0,1|0,0,0]=2 1078 B13R1.8854 CC(=O)NC(CCC1CC1)C(=O)O Amb33309099 [0,0,0,1,0,1|0,0,0]=2 1079 B13R1.194 CC(=O)NC(C(=O)O)C1CCC1O Amb33036444 [0,1,0,1,0,0|1,0,0]=3 1080 B13R1.1046 CC(=O)N1CS(=O)(=O)CC1C(=O)O Amb9174688 [0,1,0,1,0,0|2,0,0]=4 1081 B13R1.1046 CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)O Amb28288335 [0,1,0,1,0,0|2,0,0]=4 1082 B13R1.1046 CC1(C)CC(C(=O)O)C(C(=O)O)C1 Amb27392277 [0,1,0,1,0,0|2,0,0]=4 1083 B13R1.3472 CC(=O)N1C(=O)C(F)CC1C(=O)O Amb28291591 [0,1,0,1,0,0|1,0,1]=4 1084 B13R1.3472 CC(=O)N1C(C(=O)O)CC(=O)N1C Amb25320326 [0,1,0,1,0,0|1,0,1]=4 1085 B13R1.3472 CC(=O)N1CC(C)C(C)C1C(=O)O Amb27415735 [0,1,0,1,0,0|0,0,0]=2 1086 B13R1.3472 CC(C)C1CC(=O)C(C)C1C(=O)O Amb28132731 [0,1,0,1,0,0|1,0,0]=3 1087 B13R1.3475 CC(C)C1CC(=O)OC1(C)C(=O)O Amb28291636 [0,1,0,1,0,0|1,0,0]=3 1088 B13R1.3475 CC(C)[C@]1(C)CC(=O)C=C1C(=O)O Amb28458325 [0,1,0,1,0,0|1,0,1]=4 1089 B13R1.3496 CC(=O)N1COC(=O)C1CC(C)C Amb26493189 [0,1,0,1,0,0|0,0,0]=2 1090 B13R1.3897 CC1(C)[C@H](Cl)[C@@H](C(=O)O)[C@H]1C(=O)O Amb28053513 [0,1,0,1,0,0|2,0,0]=4 1091 B13R1.8014 CC(=O)N(C)C1(C(=O)O)CC(C)C1 Amb28250489 [0,1,0,1,0,0|0,0,0]=2 1092 B13R1.8371 CC(C)N(C)C1CC(C)(C)OC1=O Amb28282943 [0,1,0,1,0,0|1,0,1]=4 1093 B13R1.8499 CC(=O)NC1=C(O)C(C)(C)OC1=O Amb28365040 [0,1,0,1,0,0|0,0,2]=4 1094 B13R1.541 C#CC(=O)N1CC(O)CC1C(=O)O Amb6275989 [0,1,0,1,0,0|1,0,1]=4 1095 B13R1.541 C#CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb27452612 [0,1,0,1,0,0|1,0,1]=4 1096 B13R1.541 C=CC(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb27803231 [0,1,0,1,0,0|1,0,1]=4 1097 B13R1.541 CC(=O)N1C[C@@H](F)C[C@H]1C(=O)NN Amb27249888 [0,1,0,1,0,0|2,0,0]=4 1098 B13R1.541 CCC(=O)N1CC(=O)CC1C(=O)O Amb17335733 [0,1,0,1,0,0|1,0,1]=4 1099 B13R1.541 CCC(=O)N1CC(O)CC1C(N)=O Amb27485394 [0,1,0,1,0,0|2,0,0]=4 1100 B13R1.541 CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O Amb27466446 [0,1,0,1,0,0|1,0,0]=3 1101 B13R1.541 CCS(=O)N1CC(O)CC1C(=O)O Amb27620544 [0,1,0,1,0,0|2,0,0]=4 1102 B13R1.541 CCS(=O)N1CC(O)C[C@H]1C(=O)O Amb28346965 [0,1,0,1,0,0|2,0,0]=4 1103 B13R1.541 CNC(=O)C1CC(C)CN1C(C)=O Amb28364362 [0,1,0,1,0,0|1,0,0]=3 1104 B13R1.541 CNC(=O)C1CC(O)CN1C(C)=O Amb27868521 [0,1,0,1,0,0|2,0,0]=4 1105 B13R1.541 CNC(=O)N1CC(O)C[C@H]1C(=O)O Amb27663839 [0,1,0,1,0,0|1,0,0]=3 1106 B13R1.541 CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb27628827 [0,1,0,1,0,0|1,0,0]=3 1107 B13R1.541 CNC(=O)[C@@H]1CC(C)C[C@@H]1C(=O)O Amb27592524 [0,1,0,1,0,0|1,0,0]=3 1108 B13R1.541 CNC(=O)[C@@H]1C[C@@H](F)CN1C(C)=O Amb27420830 [0,1,0,1,0,0|2,0,0]=4 1109 B13R1.541 CNC(=O)[C@H]1C[C@@H](C)CN1C(C)=O Amb27810973 [0,1,0,1,0,0|1,0,0]=3 1110 B13R1.541 CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O Amb28189234 [0,1,0,1,0,0|2,0,0]=4 1111 B13R1.541 CNC(=O)[C@H]1C[C@H](O)CN1C(C)=O Amb27207556 [0,1,0,1,0,0|2,0,0]=4 1112 B13R1.541 COC(=O)C1CC(C)=NN1C(C)=O Amb27658894 [0,1,0,1,0,0|1,0,1]=4 1113 B13R1.541 COC(=O)C1CC(O)CN1C(N)=O Amb2409179 [0,1,0,1,0,0|2,0,0]=4 1114 B13R1.541 COC(=O)C1C[C@@H](O)CN1C(C)=O Amb27823853 [0,1,0,1,0,0|1,0,0]=3 1115 B13R1.541 COC(=O)C1NC(=O)OC1C(C)C Amb28292705 [0,1,0,1,0,0|1,0,0]=3 1116 B13R1.541 COC(=O)C1NC(=S)OC1C(C)C Amb28204121 [0,1,0,1,0,0|1,0,1]=4 1117 B13R1.541 COC(=O)C1OC(=O)N[C@H]1C(C)C Amb27832507 [0,1,0,1,0,0|2,0,0]=4 1118 B13R1.541 COC(=O)N1CC(=O)CC1C(=O)O Amb27618142 [0,1,0,1,0,0|1,0,1]=4 1119 B13R1.541 COC(=O)N1C[C@@H](O)C[C@H]1C(=O)O Amb25912723 [0,1,0,1,0,0|1,0,0]=3 1120 B13R1.541 COC(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb28042757 [0,1,0,1,0,0|1,0,0]=3 1121 B13R1.541 COC(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb27221764 [0,1,0,1,0,0|1,0,0]=3 1122 B13R1.541 COC(=O)[C@@H]1CC(O)CN1C(C)=O Amb28350228 [0,1,0,1,0,0|1,0,0]=3 1123 B13R1.541 COC(=O)[C@@H]1C[C@@H](N)CN1C(C)=O Amb27201681 [0,1,0,1,0,0|1,0,0]=3 1124 B13R1.541 COC(=O)[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb27984899 [0,1,0,1,0,0|2,0,0]=4 1125 B13R1.541 COC(=O)[C@@H]1OC(=O)N[C@H]1C(C)C Amb28248157 [0,1,0,1,0,0|2,0,0]=4 1126 B13R1.541 COC(=O)[C@H]1C[C@H](O)CN1C(C)=O Amb27874164 [0,1,0,1,0,0|1,0,0]=3 1127 B13R1.541 COC(=O)[C@H]1NC(=O)N[C@@H]1C(C)C Amb28436729 [0,1,0,1,0,0|1,0,0]=3 1128 B13R1.541 COC(=O)[C@H]1NC(=S)O[C@@H]1C(C)C Amb27632879 [0,1,0,1,0,0|1,0,1]=4 1129 B13R1.541 CSC(=S)N1CC(C)CC1C(=O)O Amb27752065 [0,1,0,1,0,0|0,1,0]=3 1130 B13R1.541 C[C@@H]1CC(C(=O)O)N(C(=O)CCl)C1 Amb27488598 [0,1,0,1,0,0|0,0,0]=2 1131 B13R1.541 NC(=O)C1CC(F)CN1C(=O)CCl Amb27204468 [0,1,0,1,0,0|2,0,0]=4 1132 B13R1.541 NC(=O)C1CC(O)CN1C(=O)CBr Amb28240078 [0,1,0,1,0,0|2,0,0]=4 1133 B13R1.541 NC(=O)C1CC(O)CN1C(=O)CO Amb28182730 [0,1,0,1,0,0|2,0,0]=4 1134 B13R1.541 NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCl Amb27787689 [0,1,0,1,0,0|2,0,0]=4 1135 B13R1.541 NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CO Amb28058329 [0,1,0,1,0,0|2,0,0]=4 1136 B13R1.541 NCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O Amb30867286 [0,1,0,1,0,0|1,0,0]=3 1137 B13R1.541 NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb25951007 [0,1,0,1,0,0|1,0,0]=3 1138 B13R1.541 NCC(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb26014160 [0,1,0,1,0,0|1,0,0]=3 1139 B13R1.541 O=C(F)C1CC(O)CN1C(=O)CCl Amb27816231 [0,1,0,1,0,0|2,0,0]=4 1140 B13R1.541 O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CCl Amb27445080 [0,1,0,1,0,0|1,0,0]=3 1141 B13R1.541 O=C1NC(C(=O)O)C(C(O)CO)N1 Amb27233758 [0,1,0,1,0,0|2,0,0]=4 1142 B13R1.876 C=C1NC(=O)C(CC(C)C)NC1=O Amb27268424 [0,1,0,1,0,0|1,0,1]=4 1143 B13R1.876 CC(C)CC1NC(=O)C(C)NC1=O Amb8398685 [0,1,0,1,0,0|1,0,0]=3 1144 B13R1.876 CC(C)C[C@@H]1NC(=O)[C@@H](C)NC1=O Amb24555593 [0,1,0,1,0,0|1,0,0]=3 1145 B13R1.876 CC(C)C[C@@H]1NC(=O)[C@H](C)NC1=O Amb27471009 [0,1,0,1,0,0|1,0,0]=3 1146 B13R1.876 CC(C)C[C@H]1NC(=O)[C@H](C)NC1=O Amb25257347 [0,1,0,1,0,0|1,0,0]=3 1147 B13R1.895 CC(C)C[C@@H]1NC(=O)CN[B-]1(O)O Amb28283920 [0,1,0,1,0,0|1,0,1]=4 1148 B13R1.2875 CNC(=O)CC1OC(C)(C)OC1=O Amb27221093 [0,1,0,1,0,0|2,0,0]=4 1149 B13R1.2875 COC(=O)CC1CC(C)(C)OC1=O Amb27759501 [0,1,0,1,0,0|1,0,0]=3 1150 B13R1.2988 CCC1CC(C(=O)O)C(C(=O)O)C1 Amb27836174 [0,1,0,1,0,0|2,0,0]=4 1151 B13R1.2988 CCC1CC(C(N)=O)C(C(=O)O)C1 Amb28206556 [0,1,0,1,0,0|2,0,0]=4 1152 B13R1.2988 COC1CC(C(=O)O)N(C(C)=O)C1 Amb6256816 [0,1,0,1,0,0|0,0,0]=2 1153 B13R1.2988 COC1CC(C(=O)O)N(C(C)C)C1 Amb26376951 [0,1,0,1,0,0|1,0,1]=4 1154 B13R1.2988 COC1CC(C(=O)O)N(S(C)=O)C1 Amb28254411 [0,1,0,1,0,0|1,0,0]=3 1155 B13R1.2988 CO[C@H]1C[C@@H](C(=O)O)N(C(C)C)C1 Amb27634379 [0,1,0,1,0,0|1,0,1]=4 1156 B13R1.2988 CO[C@H]1C[C@H](C(=O)O)N(C(C)=O)C1 Amb27422215 [0,1,0,1,0,0|0,0,0]=2 1157 B13R1.2988 CSC1=NC(C(=O)O)C(C(C)C)S1 Amb27592980 [0,1,0,1,0,0|0,1,1]=4 1158 B13R1.2988 NC(=O)C1CC(CO)CC1C(=O)O Amb27407877 [0,1,0,1,0,0|2,0,0]=4 1159 B13R1.4913 COC(=O)NC1(C(=O)O)CC1(C)C Amb25942277 [0,1,0,1,0,0|0,0,0]=2 1160 B13R1.4918 CCC(C)SC1(C(=O)O)CC(=O)C1 Amb32716414 [0,1,0,1,0,0|2,0,0]=4 1161 B13R1.4918 C\C(=C/Cl)CC1(C(=O)O)CC(C)C1 Amb29884861 [0,1,0,1,0,0|2,0,0]=4 1162 B13R1.7002 CC(=O)NC1CC(C)(CO)OC1=O Amb27879609 [0,1,0,1,0,0|0,0,0]=2 1163 B13R1.7002 CC(=O)N[C@@H]1C[C@](C)(CO)OC1=O Amb27207760 [0,1,0,1,0,0|0,0,0]=2 1164 B13R1.7921 CN1C(=O)C=C(C(=O)O)CC1(C)C Amb27484022 [0,1,0,1,0,0|1,0,1]=4 1165 B13R1.8853 CC(=O)NC(CC1CCC1)C(=O)O Amb32666174 [0,1,0,1,0,0|0,0,0]=2 1166 B13R1.8853 CC(=O)N[C@H](CC1CCC1)C(=O)O Amb28556148 [0,1,0,1,0,0|0,0,0]=2 1167 B13R1.520 CC(=O)CC1CC(C)(C)CCC1=O Amb26570107 [0,1,0,1,0,0|2,0,0]=4 1168 B13R1.1848 COC(=O)C1(NC(C)=O)CC(N)C1 Amb32724205 [0,1,0,1,0,0|1,0,0]=3 1169 B13R1.4619 COC(=O)\C(=C\C1CC1)NC(C)=O Amb26655455 [0,1,0,1,0,0|0,0,2]=4 1170 B13R1.4790 C=C(OC)C1CC(=O)CC(C)(C)C1 Amb17594701 [0,1,0,1,0,0|2,0,0]=4 1171 B13R1.7996 CC(=O)CC1CC(C)(C)N(C)C1=O Amb27947581 [0,1,0,1,0,0|2,0,0]=4 1172 B13R1.3460 CC(C)(C)C1CC(=O)NC1C(=O)O Amb27223228 [0,1,0,1,0,0|0,0,0]=2 1173 B13R1.3460 CC(C)(C)[C@H]1OC(=O)N[C@@H]1C(=O)O Amb27634802 [0,1,0,1,0,0|1,0,0]=3 1174 B13R1.3460 CC1=CC(C(C)(C)O)C(C(=O)O)C1 Amb27858695 [0,1,0,1,0,0|2,0,0]=4 1175 B13R1.3460 CS(=N)(=O)N1CC(O)CC1C(=O)O Amb35695566 [0,1,0,1,0,0|2,0,0]=4 1176 B13R1.3460 CS(=N)(=O)N1CC(O)C[C@H]1C(=O)O Amb35680514 [0,1,0,1,0,0|2,0,0]=4 1177 B13R1.3460 CS(=N)(=O)N1C[C@@H](O)C[C@H]1C(=O)O Amb29851535 [0,1,0,1,0,0|2,0,0]=4 1178 B13R1.3460 CS(=N)(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb29851589 [0,1,0,1,0,0|2,0,0]=4 1179 B13R1.3460 CS(=N)(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb35680544 [0,1,0,1,0,0|2,0,0]=4 1180 B13R1.3460 O=C1CC(C(F)(F)F)C(C(=O)O)N1 Amb23538813 [0,1,0,1,0,0|2,0,0]=4 1181 B13R1.3460 O=C1C[C@@H](C(F)(F)F)[C@H](C(=O)O)N1 Amb27644878 [0,1,0,1,0,0|2,0,0]=4 1182 B13R1.3829 CC(C)(C)CC1(C(=O)O)CC(=O)C1 Amb33362048 [0,1,0,1,0,0|1,0,0]=3 1183 B13R1.3829 CC(C)(C)SC1(C(=O)O)CC(=O)C1 Amb27754570 [0,1,0,1,0,0|2,0,0]=4 1184 B13R1.3851 CC(=O)O[C@H]1C(=O)N[C@H]1C(C)(C)C Amb27214183 [0,1,0,1,0,0|2,0,0]=4 1185 B13R1.8822 CC1(C)CC1(CS(C)(=O)=O)C(=O)O Amb33055982 [0,1,0,1,0,0|2,0,0]=4 1186 B13R1.813 CC(=O)NC(C)(C(=O)O)C1CC1C Amb28382204 [0,1,0,1,0,0|0,0,0]=2 1187 B13R1.813 CC1CC1C(O)(CC(=O)O)C(=O)O Amb33346927 [0,1,0,1,0,0|2,0,0]=4 1188 B13R1.3856 CC(C)CC1(C)C(=O)OC1C(=O)O Amb27853507 [0,1,0,1,0,0|2,0,0]=4 1189 B13R1.3856 CC(C)C[C@]1(C)C(=O)O[C@H]1C(=O)O Amb28053541 [0,1,0,1,0,0|2,0,0]=4 1190 B13R1.8370 CC1(C)CC(C)(NC(N)=O)C(=O)O1 Amb27637677 [0,1,0,1,0,0|1,0,0]=3 1191 B13R1.9398 CC1(C)CC(=O)CC(C)(C(=O)O)C1 Amb16230764 [0,1,0,1,0,0|1,0,0]=3 1192 B13R2.3697 CC(=O)N1CC2CCC(=O)C1C2 Amb26493227 [0,0,0,2,0,0|1,0,0]=3 1193 B13R2.3697 CC(=O)N1C[C@@H]2CCC(=O)[C@H]1C2 Amb27970154 [0,0,0,2,0,0|1,0,0]=3 1194 B13R2.3697 O=C(O)C1CC2CNC(=O)C1C2 Amb23580693 [0,0,0,2,0,0|2,0,0]=4 1195 B13R2.3697 O=C(O)C1CC2COC(=O)C1C2 Amb27876294 [0,0,0,2,0,0|2,0,0]=4 1196 B13R2.5139 NC1CC2C(=O)NCC(=O)N2C1 Amb18826111 [0,0,0,2,0,0|2,0,0]=4 1197 B13R2.5139 N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 Amb15701333 [0,0,0,2,0,0|2,0,0]=4 1198 B13R2.5139 N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1 Amb22587290 [0,0,0,2,0,0|2,0,0]=4 1199 B13R2.5139 N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1 Amb15701332 [0,0,0,2,0,0|2,0,0]=4 1200 B13R2.5139 N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1 Amb22587289 [0,0,0,2,0,0|2,0,0]=4 1201 B13R2.5139 O=C1NCC(=O)N2C[C@H](O)CC12 Amb26375813 [0,0,0,2,0,0|2,0,0]=4 1202 B13R2.5139 O=C1NCC(=O)N2C[C@H](O)C[C@@H]12 Amb23598405 [0,0,0,2,0,0|2,0,0]=4 1203 B13R2.5314 O=C1CC2C(Br)CC1C2C(=O)O Amb8516911 [0,0,0,2,0,0|2,0,0]=4 1204 B13R2.5314 O=C1CC2C(Cl)CC1C2C(=O)O Amb9809238 [0,0,0,2,0,0|2,0,0]=4 1205 B13R2.5314 O=C1C[C@@H]2[C@@H](Br)C[C@H]1[C@H]2C(=O)O Amb27852106 [0,0,0,2,0,0|2,0,0]=4 1206 B13R2.16772 CC1CC2(CC(=O)CNC2=O)C1 Amb33329624 [0,0,0,2,0,0|2,0,0]=4 1207 B13R2.3297 CC1(C)CC(=O)C2CC(=O)C2C1 Amb27177446 [0,0,0,2,0,0|2,0,0]=4 1208 B13R2.4683 CC1=N[C@@H](C(=O)O)N2C(=O)C[C@H]12 Amb26590784 [0,0,0,2,0,0|1,0,1]=4 1209 B13R2.4683 C[C@H]1C[C@@H](C(=O)O)N2C(=O)C[C@H]12 Amb27443165 [0,0,0,2,0,0|0,0,0]=2 1210 B13R2.10992 CC1CC1C2(C(=O)O)CC(=O)C2 Amb33143742 [0,0,0,2,0,0|1,0,0]=3 1211 B13R2.13981 CC(=O)N1CC2CC2C1C(=O)O Amb26401840 [0,0,0,2,0,0|0,0,0]=2 1212 B13R2.13981 CC(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)O Amb27633648 [0,0,0,2,0,0|0,0,0]=2 1213 B13R2.12100 CC1(C)CC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 Amb27481769 [0,0,0,2,0,0|1,0,0]=3 1214 B13R2.3014 O=C1CC(C(=O)O)C(C2CC2)N1 Amb18826172 [0,0,0,2,0,0|2,0,0]=4 1215 B13R2.3014 O=C1CC(C2CC2)C(C(=O)O)N1 Amb27816112 [0,0,0,2,0,0|0,0,0]=2 1216 B13R2.3977 CC(=O)[C@H]1OC(=O)[C@H]2[C@@H]1C2(C)C Amb27262897 [0,0,0,2,0,0|2,0,0]=4 1217 B13R2.3977 O=C(O)[C@H]1NC(=O)[C@@H]2[C@H]1C2(F)F Amb24692743 [0,0,0,2,0,0|2,0,0]=4 1218 B13R2.3977 O=C(O)[C@H]1NC(=O)[C@H]2[C@@H]1C2(F)F Amb25362139 [0,0,0,2,0,0|2,0,0]=4 1219 B13R2.13987 CC(=O)N1CC2CC1(C(=O)O)C2 Amb35650315 [0,0,0,2,0,0|0,0,0]=2 1220 B13R2.13987 CC(C)N1CC2CC1(C(=O)O)C2 Amb28140697 [0,0,0,2,0,0|1,0,1]=4 1221 B13R2.13987 CS(=O)N1CC2CC1(C(=O)O)C2 Amb30009014 [0,0,0,2,0,0|1,0,0]=3 1222 B13R2.13987 NC(=O)N1CC2CC1(C(=O)O)C2 Amb30009058 [0,0,0,2,0,0|1,0,0]=3 1223 B13R2.11696 CC1CC(NC2CC2)(C(=O)O)C1 Amb28063146 [0,0,0,2,0,0|1,0,1]=4 1224 B13R2.11696 O=C1CC(CC2CC2)(C(=O)O)C1 Amb33361158 [0,0,0,2,0,0|1,0,0]=3 1225 B9R0.33 C=C(C)C(NCC)C(=O)O Amb28050492 [1,0,0,0,1,0|2,0,0]=4 1226 B9R0.33 C=CCC(C(=O)O)C(C)C Amb18643926 [1,0,0,0,1,0|1,0,1]=4 1227 B9R0.33 CC(=O)C(CCBr)C(C)=O Amb27955999 [1,0,0,0,1,0|2,0,0]=4 1228 B9R0.33 CC(C)C(N=C=O)C(=O)O Amb25952521 [1,0,0,0,1,0|0,0,2]=4 1229 B9R0.33 CC(C)C(NC#N)C(=O)O Amb30030789 [1,0,0,0,1,0|1,0,1]=4 1230 B9R0.33 CC(C)C(NC=O)C(=O)O Amb4018743 [1,0,0,0,1,0|0,0,0]=2 1231 B9R0.33 CC(C)C(NN=O)C(=O)O Amb28198835 [1,0,0,0,1,0|1,0,0]=3 1232 B9R0.33 CC(C)[C@@H](N=C=O)C(=O)O Amb33471340 [1,0,0,0,1,0|0,0,2]=4 1233 B9R0.33 CC(C)[C@@H](NC#N)C(=O)O Amb30030642 [1,0,0,0,1,0|1,0,1]=4 1234 B9R0.33 CC(C)[C@@H](NC=O)C(=O)O Amb22745192 [1,0,0,0,1,0|0,0,0]=2 1235 B9R0.33 CC(C)[C@H](N=C=O)C(=O)O Amb33471334 [1,0,0,0,1,0|0,0,2]=4 1236 B9R0.33 CC(C)[C@H](NC#N)C(=O)O Amb30030779 [1,0,0,0,1,0|1,0,1]=4 1237 B9R0.33 CC(C)[C@H](NC=O)C(=O)O Amb4018781 [1,0,0,0,1,0|0,0,0]=2 1238 B9R0.33 CC(C)[C@H](NN=O)C(=O)O Amb27810805 [1,0,0,0,1,0|1,0,0]=3 1239 B9R0.33 CC(C)\C(=N\C=O)C(=O)O Amb28429778 [1,0,0,0,1,0|0,0,2]=4 1240 B9R0.33 CCCC(C(=O)O)C(=O)O Amb8384909 [1,0,0,0,1,0|1,0,0]=3 1241 B9R0.33 CCCC(C(=O)O)C(C)C Amb17616275 [1,0,0,0,1,0|1,0,1]=4 1242 B9R0.33 CCCC(C(=O)O)C(C)N Amb33036414 [1,0,0,0,1,0|1,0,1]=4 1243 B9R0.33 CCCC(C(=O)O)C(C)O Amb26422276 [1,0,0,0,1,0|0,0,2]=4 1244 B9R0.33 CCCC(C(=O)O)N(C)C Amb33534626 [1,0,0,0,1,0|2,0,0]=4 1245 B9R0.33 CCCC(C(=O)O)S(C)=O Amb27255158 [1,0,0,0,1,0|1,0,0]=3 1246 B9R0.33 CCCC(C(C)=O)C(N)=O Amb24744722 [1,0,0,0,1,0|1,0,0]=3 1247 B9R0.33 CCCC(C(N)=O)C(N)=O Amb24380863 [1,0,0,0,1,0|2,0,0]=4 1248 B9R0.33 CCC[C@H](C(=O)O)N(C)C Amb32660270 [1,0,0,0,1,0|2,0,0]=4 1249 B9R0.33 CCC[C@H](C(=O)O)[C@H](C)O Amb27221692 [1,0,0,0,1,0|0,0,2]=4 1250 B9R0.33 CCC\C(C(C)=O)=C(\C)O Amb28324383 [1,0,0,0,1,0|1,0,1]=4 1251 B9R0.33 CCNC(C(=O)O)C(C)C Amb19514760 [1,0,0,0,1,0|0,0,1]=3 1252 B9R0.33 CCNC(C(=O)O)C(C)C Amb9327924 [1,0,0,0,1,0|0,0,1]=3 1253 B9R0.33 CCN[C@@H](C(=O)O)C(C)C Amb33347482 [1,0,0,0,1,0|0,0,1]=3 1254 B9R0.33 CCN[C@H](C(=O)O)C(C)C Amb25230589 [1,0,0,0,1,0|0,0,1]=3 1255 B9R0.33 CCN[C@H](C(=O)O)C(C)O Amb27629796 [1,0,0,0,1,0|1,0,1]=4 1256 B9R0.33 CCOC(C(=O)O)C(C)C Amb6267583 [1,0,0,0,1,0|1,0,1]=4 1257 B9R0.33 CCSC(C(=O)O)C(C)C Amb6680206 [1,0,0,0,1,0|1,0,1]=4 1258 B9R0.33 COCC(C(=O)O)C(=O)O Amb27866758 [1,0,0,0,1,0|2,0,0]=4 1259 B9R0.33 COCC(C(=O)O)C(C)C Amb26443509 [1,0,0,0,1,0|2,0,0]=4 1260 B9R0.33 CS(=O)C(CCN)C(=O)O Amb27425024 [1,0,0,0,1,0|2,0,0]=4 1261 B9R0.33 CSCC(C(=O)O)C(C)C Amb27639484 [1,0,0,0,1,0|2,0,0]=4 1262 B9R0.33 C\C=C\C(C(=O)O)C(C)C Amb18643944 [1,0,0,0,1,0|1,0,0]=3 1263 B9R0.33 C\C=N\[C@H](C(=O)O)C(C)C Amb27831817 [1,0,0,0,1,0|0,0,1]=3 1264 B9R0.33 NCCC(C(=O)O)C(=O)O Amb27797430 [1,0,0,0,1,0|2,0,0]=4 1265 B9R0.33 O=C(O)C(CCF)C(=O)O Amb27958814 [1,0,0,0,1,0|2,0,0]=4 1266 B9R0.54 C=C(C)C(C(=O)O)C(C)C Amb18643917 [0,0,0,0,2,0|1,0,0]=3 1267 B9R0.54 C=C(C)C(C(C)=O)C(C)C Amb28124456 [0,0,0,0,2,0|2,0,0]=4 1268 B9R0.54 C=C(C)[C@H](C(=O)O)C(C)C Amb27222321 [0,0,0,0,2,0|1,0,0]=3 1269 B9R0.54 CC(=O)C(C(C)=O)C(C)C Amb17689200 [0,0,0,0,2,0|1,0,0]=3 1270 B9R0.54 CC(=O)C(C(N)=O)C(C)C Amb27618094 [0,0,0,0,2,0|1,0,0]=3 1271 B9R0.54 CC(=O)\C(=C(/C)O)C(C)C Amb27833903 [0,0,0,0,2,0|1,0,1]=4 1272 B9R0.54 CC(C)C(C(=O)O)C(=O)O Amb2689019 [0,0,0,0,2,0|1,0,0]=3 1273 B9R0.54 CC(C)C(C(=O)O)C(C)C Amb17593626 [0,0,0,0,2,0|1,0,1]=4 1274 B9R0.54 CC(C)C(C(=O)O)C(C)N Amb24420001 [0,0,0,0,2,0|1,0,1]=4 1275 B9R0.54 CC(C)C(C(=O)O)C(C)N Amb28555623 [0,0,0,0,2,0|1,0,1]=4 1276 B9R0.54 CC(C)C(C(=O)O)C(C)O Amb18990640 [0,0,0,0,2,0|0,0,2]=4 1277 B9R0.54 CC(C)C(C(=O)O)N(C)C Amb19343274 [0,0,0,0,2,0|2,0,0]=4 1278 B9R0.54 CC(C)C(C(=O)O)N(C)C Amb6619070 [0,0,0,0,2,0|2,0,0]=4 1279 B9R0.54 CC(C)C(C(=O)O)N(C)Cl Amb28251094 [0,0,0,0,2,0|2,0,0]=4 1280 B9R0.54 CC(C)C(C(N)=O)C(=O)O Amb28050146 [0,0,0,0,2,0|1,0,0]=3 1281 B9R0.54 CC(C)C(C(N)=O)C(N)=O Amb27230644 [0,0,0,0,2,0|2,0,0]=4 1282 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C Amb8630219 [0,0,0,0,2,0|2,0,0]=4 1283 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C Amb24053107 [0,0,0,0,2,0|2,0,0]=4 1284 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C Amb34913643 [0,0,0,0,2,0|2,0,0]=4 1285 B9R0.54 C\C(Cl)=C(/C(=O)O)C(C)C Amb27239684 [0,0,0,0,2,0|1,0,1]=4 1286 B9R0.54 C\C(Cl)=C(\C(=O)O)C(C)C Amb28208572 [0,0,0,0,2,0|1,0,1]=4 1287 B11R0.146 C=C(C)CCC(NC=O)C(=O)O Amb33036842 [1,0,0,0,0,1|0,0,2]=4 1288 B11R0.146 CC(=O)CCC(NC=O)C(=O)O Amb33309217 [1,0,0,0,0,1|1,0,1]=4 1289 B11R0.146 CC(C)=CCC(NC=O)C(=O)O Amb33042689 [1,0,0,0,0,1|0,0,1]=3 1290 B11R0.146 CC(C)CCC(NC=O)C(=O)O Amb33066147 [1,0,0,0,0,1|0,0,0]=2 1291 B11R0.146 CC(C)OCC(NC=O)C(=O)O Amb33066115 [1,0,0,0,0,1|0,0,0]=2 1292 B11R0.146 CC(O)CCC(NC=O)C(=O)O Amb33308944 [1,0,0,0,0,1|1,0,0]=3 1293 B11R0.146 CCCC(CCC(C)=O)C(=O)O Amb533087 [1,0,0,0,0,1|1,0,0]=3 1294 B11R0.146 CN(C)CCC(NC=O)C(=O)O Amb33036865 [1,0,0,0,0,1|1,0,0]=3 1295 B11R0.146 CS(=O)CCC(NC=O)C(=O)O Amb33065731 [1,0,0,0,0,1|2,0,0]=4 1296 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [0,0,0,0,1,1|1,0,0]=3 1297 B11R0.28 CC(C)CNC(C(=O)O)C(C)C Amb9327942 [0,0,0,0,1,1|1,0,1]=4 1298 B11R0.28 CC(C)COC(C(=O)O)C(C)C Amb6269269 [0,0,0,0,1,1|1,0,1]=4 1299 B11R0.28 CC(C)CSC(C(=O)O)C(C)C Amb9208388 [0,0,0,0,1,1|1,0,1]=4 1300 B11R0.28 CC(C)OCC(C(=O)O)C(C)C Amb18647856 [0,0,0,0,1,1|1,0,1]=4 1301 B11R0.28 CC(C)\C(=N/NC(N)=O)C(=O)O Amb28396616 [0,0,0,0,1,1|1,0,1]=4 1302 B11R0.28 CC(C)\C(=N\NC(N)=O)C(=O)O Amb28196705 [0,0,0,0,1,1|1,0,1]=4 1303 B13R0.177 CC(=O)NCC(CC(=O)O)CC(C)C Amb32666072 [0,0,0,0,0,2|0,0,0]=2 1304 B13R0.177 CC(=O)NC[C@H](CC(=O)O)CC(C)C Amb32662640 [0,0,0,0,0,2|0,0,0]=2 1305 B13R0.177 CC(C)OCC(CC(=O)O)CC(=O)O Amb33274072 [0,0,0,0,0,2|2,0,0]=4 1306 B13R0.443 CC(C)CCNC(CC(C)C)C(=O)O Amb17402462 [0,0,0,0,0,2|1,0,1]=4