0 B12R0.98 CSCCC(N)C(=O)NCC(=O)O Amb3997923 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.98 CSCC[C@H](N)C(=O)NCC(=O)O Amb6366298 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.11 C=CCOC(=O)[C@@H]([NH3+])CCSC Amb22349473 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.11 CCCCC(N)C(=O)NCCC Amb18794439 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.11 CCCNC(=O)C(N)CCSC Amb23442738 [1,0,0,0,0,0|1,0,1]=3 5 B11R0.46 CC#CCNC(=O)NCC(=O)O Amb18801735 [1,0,0,0,0,0|2,0,1]=4 6 B11R0.46 CCCCCC(=O)CCC(=O)O Amb4330519 [1,0,0,0,0,0|2,0,0]=3 7 B11R0.46 CCCCCC(=O)NCC(=O)O Amb4306505 [1,0,0,0,0,0|1,0,0]=2 8 B11R0.46 CCCCNC(=O)CCC(=O)O Amb1785994 [1,0,0,0,0,0|3,0,0]=4 9 B11R0.46 CCCCOC(=O)CCC(=O)O Amb19888684 [1,0,0,0,0,0|3,0,0]=4 10 B11R0.46 COCCNC(=O)CCC(=O)O Amb1840186 [1,0,0,0,0,0|2,1,0]=4 11 B11R0.46 COCCOC(=O)CCC(=O)O Amb2189153 [1,0,0,0,0,0|2,1,0]=4 12 B13R0.128 CSCCC(N)C(=O)NC(C)C(=O)O Amb17143796 [0,1,0,0,0,0|0,0,0]=1 13 B13R0.128 CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)O Amb33803543 [0,1,0,0,0,0|0,0,0]=1 14 B13R0.128 CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)O Amb33804477 [0,1,0,0,0,0|0,0,0]=1 15 B13R0.349 N[C@@H](CCC(=O)O)C(=O)NCC(=O)O Amb22799750 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.45 C=C(Br)CNC(=O)C1CCSCC1 Amb27457636 [0,0,0,1,0,0|3,0,0]=4 17 B13R1.45 C=C(C)CNC(=O)[C@@H]1CCCCN1 Amb27771048 [0,0,0,1,0,0|3,0,0]=4 18 B13R1.45 CC(=O)CNC(=O)C1CCCCS1 Amb27219650 [0,0,0,1,0,0|3,0,0]=4 19 B13R1.45 CC(=O)CNC(=O)C1CCNCC1 Amb25314790 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.45 CC(=O)CNC(=O)C1CCSCC1 Amb35698386 [0,0,0,1,0,0|2,0,0]=3 21 B13R1.45 CC(O)CNC(=O)C1CCCCN1 Amb9360243 [0,0,0,1,0,0|2,0,1]=4 22 B13R1.45 CC(O)CNC(=O)[C@@H]1CCCCN1 Amb27609639 [0,0,0,1,0,0|2,0,1]=4 23 B13R1.45 CC(O)CNC(=O)[C@H]1CCCCN1 Amb27609638 [0,0,0,1,0,0|2,0,1]=4 24 B13R1.45 C[C@@H](O)CNC(=O)[C@@H]1CCCCN1 Amb27875417 [0,0,0,1,0,0|2,0,1]=4 25 B13R1.45 C[C@H](O)CNC(=O)C1CCSCC1 Amb28285723 [0,0,0,1,0,0|2,0,1]=4 26 B13R1.45 NC(=O)CNC(=O)C1CCCCC1 Amb17234082 [0,0,0,1,0,0|3,0,0]=4 27 B13R1.45 NC(=O)CNC(=O)C1CCOCC1 Amb28248580 [0,0,0,1,0,0|2,1,0]=4 28 B13R1.45 NC(=O)CNC(=O)[C@@H]1CCCCN1 Amb27219987 [0,0,0,1,0,0|2,0,0]=3 29 B13R1.45 NC(=O)NNC(=O)C1CCSCC1 Amb35694984 [0,0,0,1,0,0|3,0,0]=4 30 B13R1.45 NC(=S)CNC(=O)C1CCSCC1 Amb35694951 [0,0,0,1,0,0|2,1,0]=4 31 B13R1.45 O=C(O)CCC(=O)C1CCCCC1 Amb2699516 [0,0,0,1,0,0|3,0,0]=4 32 B13R1.45 O=C(O)CNC(=O)C1=CCCCC1 Amb27477824 [0,0,0,1,0,0|2,0,1]=4 33 B13R1.45 O=C(O)CNC(=O)C1=CCNCC1 Amb29851818 [0,0,0,1,0,0|2,0,1]=4 34 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 Amb1102851 [0,0,0,1,0,0|2,0,0]=3 35 B13R1.45 O=C(O)CNC(=O)C1CCCOC1 Amb18300816 [0,0,0,1,0,0|3,0,0]=4 36 B13R1.45 O=C(O)CNC(=O)C1CCNCC1 Amb17143028 [0,0,0,1,0,0|2,0,0]=3 37 B13R1.45 O=C(O)CNC(=O)C1CCOCC1 Amb6743849 [0,0,0,1,0,0|1,1,0]=3 38 B13R1.45 O=C(O)CNC(=O)C1CNCCO1 Amb18293749 [0,0,0,1,0,0|3,0,0]=4 39 B13R1.45 O=C(O)CNC(=O)C1CNCCS1 Amb29890092 [0,0,0,1,0,0|3,0,0]=4 40 B13R1.45 O=C(O)CNC(=O)C1COCCO1 Amb8863692 [0,0,0,1,0,0|3,0,0]=4 41 B13R1.45 O=C(O)CNC(=O)N1CCCCC1 Amb9304846 [0,0,0,1,0,0|3,0,0]=4 42 B13R1.45 O=C(O)CNC(=O)N1CCNCC1 Amb18287712 [0,0,0,1,0,0|3,0,0]=4 43 B13R1.45 O=C(O)CNC(=O)N1CCOCC1 Amb9304826 [0,0,0,1,0,0|2,1,0]=4 44 B13R1.45 O=C(O)CNC(=O)[C@@H]1CCCNC1 Amb27245787 [0,0,0,1,0,0|3,0,0]=4 45 B13R1.45 O=C(O)CNC(=O)[C@H]1CCCCN1 Amb27234932 [0,0,0,1,0,0|1,0,0]=2 46 B13R1.129 CC(=O)CNC(=O)C1CCC(C)O1 Amb28046215 [0,0,0,1,0,0|3,0,0]=4 47 B13R1.129 CC(=O)CNC(=O)[C@H]1CCC(=O)N1 Amb27457531 [0,0,0,1,0,0|3,0,0]=4 48 B13R1.129 CC1CC(C(=O)NCC(=O)O)CO1 Amb27652253 [0,0,0,1,0,0|3,0,0]=4 49 B13R1.129 CC1CCC(C(=O)NCC(N)=O)C1 Amb27769294 [0,0,0,1,0,0|3,0,0]=4 50 B13R1.129 CN1CCC(C(=O)NCC(=O)O)C1 Amb18969959 [0,0,0,1,0,0|2,0,0]=3 51 B13R1.129 NC(=O)CNC(=O)[C@@H]1CCC(=O)N1 Amb27244897 [0,0,0,1,0,0|3,0,0]=4 52 B13R1.129 NC(=O)CNC(=O)[C@H]1CCC(=O)N1 Amb28141850 [0,0,0,1,0,0|3,0,0]=4 53 B13R1.129 O=C(O)CNC(=O)C1CCC(=O)N1 Amb6268301 [0,0,0,1,0,0|2,0,0]=3 54 B13R1.129 O=C(O)CNC(=O)C1CCC(=O)O1 Amb17883721 [0,0,0,1,0,0|3,0,0]=4 55 B13R1.129 O=C(O)CNC(=O)C1CSC(=O)N1 Amb6748645 [0,0,0,1,0,0|3,0,0]=4 56 B13R1.129 O=C(O)CNC(=O)[C@@H]1CCC(=O)N1 Amb25160693 [0,0,0,1,0,0|2,0,0]=3 57 B13R1.129 O=C(O)CNC(=O)[C@@H]1CCC(=O)O1 Amb27952314 [0,0,0,1,0,0|3,0,0]=4 58 B13R1.885 CC1=C(CC(=O)O)C(=O)C(C)CC1 Amb27758584 [0,0,0,1,0,0|3,0,0]=4 59 B13R1.885 NC(=O)CN1C(=O)CCC(N)C1=O Amb27413264 [0,0,0,1,0,0|3,0,0]=4 60 B13R1.3499 NC(=O)CN1CCCCC(N)C1=O Amb32671733 [0,0,0,1,0,0|2,0,0]=3 61 B13R1.3499 NC1CCCCN(CC(=O)O)C1=O Amb27144072 [0,0,0,1,0,0|1,0,0]=2 62 B13R1.3499 NC1CCCCN(CC(=O)O)C1=O Amb32992328 [0,0,0,1,0,0|1,0,0]=2 63 B13R1.3499 O=C(O)CN1CCCCC(=O)C1=O Amb32671344 [0,0,0,1,0,0|2,0,1]=4 64 B13R1.3499 O=C(O)CN1CCCCC(O)C1=O Amb27655999 [0,0,0,1,0,0|2,0,0]=3 65 B13R1.3499 O=C(O)CN1CCCCC(S)C1=O Amb35667538 [0,0,0,1,0,0|2,0,0]=3 66 B13R1.4107 CCCC1C(C)C(=O)CC1C(=O)O Amb27632472 [0,0,0,1,0,0|3,0,0]=4 67 B13R1.6294 CC(O)CNC(=O)C1(N)CCCC1 Amb18968918 [0,0,0,1,0,0|2,0,1]=4 68 B13R1.6294 CC(O)CNC(=O)C1(N)CCOC1 Amb27249511 [0,0,0,1,0,0|1,1,1]=4 69 B13R1.6294 CC1(C(=O)NCC(=O)O)CCCC1 Amb28197746 [0,0,0,1,0,0|2,0,0]=3 70 B13R1.6294 CC1(C(=O)NCC(N)=O)CCNC1 Amb27652172 [0,0,0,1,0,0|3,0,0]=4 71 B13R1.6294 C[C@H](O)CNC(=O)C1(N)CCOC1 Amb28143407 [0,0,0,1,0,0|1,1,1]=4 72 B13R1.6294 NC(=O)CNC(=O)C1(O)CCCC1 Amb27979980 [0,0,0,1,0,0|3,0,0]=4 73 B10R0.19 CCCC(C)C(=O)NNC=O Amb27270298 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.19 CCCCC(N)C(=O)NCC Amb18179826 [2,0,0,0,0,0|1,0,1]=4 75 B10R0.19 CCNC(=O)C(N)CCSC Amb23555057 [2,0,0,0,0,0|0,0,1]=3 76 B10R0.19 CCOC(=O)C(N)CCSC Amb17758560 [2,0,0,0,0,0|1,0,1]=4 77 B10R0.19 CCOC(=O)C(N)CCSC Amb2719833 [2,0,0,0,0,0|1,0,1]=4 78 B10R0.19 CCOC(=O)[C@@H](N)CCSC Amb2720481 [2,0,0,0,0,0|1,0,1]=4 79 B10R0.19 CCOC(=O)[C@@H](N)CCSC Amb2725102 [2,0,0,0,0,0|1,0,1]=4 80 B10R0.19 CCOC(=O)[C@H](N)CCSC Amb16183948 [2,0,0,0,0,0|1,0,1]=4 81 B10R0.19 CCOC(=O)[C@H](N)CCSC Amb8628591 [2,0,0,0,0,0|1,0,1]=4 82 B10R0.19 CSCC(C)C(=O)NNC=O Amb27988913 [2,0,0,0,0,0|2,0,0]=4 83 B10R0.19 CSCC[C@H](N)C(=O)NC#N Amb27271670 [2,0,0,0,0,0|1,0,1]=4 84 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [2,0,0,0,0,0|1,0,1]=4 85 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [2,0,0,0,0,0|1,0,1]=4 86 B10R0.78 C=CCCC(=O)NCC(=O)O Amb18182182 [2,0,0,0,0,0|0,0,2]=4 87 B10R0.78 CCCCC(=O)CCC(=O)O Amb6305230 [2,0,0,0,0,0|1,0,0]=3 88 B10R0.78 CCCCC(=O)NCC(=O)O Amb2794084 [2,0,0,0,0,0|0,0,0]=2 89 B10R0.78 CCCCC(=O)NNC(C)=O Amb28352142 [2,0,0,0,0,0|2,0,0]=4 90 B10R0.78 CCCCC(=O)NNC(N)=O Amb2228600 [2,0,0,0,0,0|2,0,0]=4 91 B10R0.78 CCCNC(=O)CCC(=O)O Amb1783633 [2,0,0,0,0,0|2,0,0]=4 92 B10R0.78 CCCNC(=O)NCC(=O)O Amb1137768 [2,0,0,0,0,0|1,0,0]=3 93 B10R0.78 CCCNC(=O)NCC(C)=O Amb27818518 [2,0,0,0,0,0|2,0,0]=4 94 B10R0.78 CCCNC(=O)NCC(N)=O Amb28387423 [2,0,0,0,0,0|2,0,0]=4 95 B10R0.78 CCC\C=C(/C)NCC(=O)O Amb27988488 [2,0,0,0,0,0|1,0,1]=4 96 B10R0.78 CC\C=C\C(=O)NCC(=O)O Amb27270420 [2,0,0,0,0,0|0,0,2]=4 97 B10R0.78 CSCCC(=O)NNC(C)=O Amb27271828 [2,0,0,0,0,0|2,0,0]=4 98 B10R0.78 C\C=C\CC(=O)NCC(=O)O Amb2761023 [2,0,0,0,0,0|0,0,2]=4 99 B10R0.78 O=C(O)CCC(=O)NCCS Amb32669007 [2,0,0,0,0,0|2,0,0]=4 100 B10R0.57 C=C(Br)CNC(=O)C(N)CC Amb27988139 [2,0,0,0,0,0|2,0,0]=4 101 B10R0.57 C=C(Br)CNC(=O)[C@@H](N)CC Amb27988157 [2,0,0,0,0,0|2,0,0]=4 102 B10R0.57 C=C(Br)CNC(=O)[C@H](N)CC Amb28387377 [2,0,0,0,0,0|2,0,0]=4 103 B10R0.57 C=C(Cl)CNC(=O)C(N)CC Amb27988453 [2,0,0,0,0,0|2,0,0]=4 104 B10R0.57 C=C(Cl)CNC(=O)[C@@H](N)CC Amb27988131 [2,0,0,0,0,0|2,0,0]=4 105 B10R0.57 C=C(Cl)CNC(=O)[C@H](N)CC Amb27988171 [2,0,0,0,0,0|2,0,0]=4 106 B10R0.57 CC(CO)C(=O)NCC(=O)O Amb26084049 [2,0,0,0,0,0|1,1,0]=4 107 B10R0.57 CCC(Br)C(=O)NCC(N)=O Amb27271152 [2,0,0,0,0,0|2,0,0]=4 108 B10R0.57 CCC(C)C(=O)NCC(=O)O Amb1135061 [2,0,0,0,0,0|1,0,0]=3 109 B10R0.57 CCC(C)C(=O)NCC(C)=O Amb27818502 [2,0,0,0,0,0|2,0,0]=4 110 B10R0.57 CCC(N)C(=O)NCC(=O)O Amb19010174 [2,0,0,0,0,0|0,0,0]=2 111 B10R0.57 CCC(N)C(=O)NC[C@@H](C)O Amb27988606 [2,0,0,0,0,0|1,0,1]=4 112 B10R0.57 CCC(N)C(=O)NC[C@H](C)O Amb27988633 [2,0,0,0,0,0|1,0,1]=4 113 B10R0.57 CCC(O)C(=O)NCC(N)=O Amb27270570 [2,0,0,0,0,0|2,0,0]=4 114 B10R0.57 CC[C@@H](N)C(=O)NCC(C)O Amb27989673 [2,0,0,0,0,0|1,0,1]=4 115 B10R0.57 CC[C@@H](N)C(=O)NCC(N)=O Amb27989654 [2,0,0,0,0,0|1,0,0]=3 116 B10R0.57 CC[C@@H](N)C(=O)NC[C@@H](C)O Amb27988609 [2,0,0,0,0,0|1,0,1]=4 117 B10R0.57 CC[C@@H](N)C(=O)NC[C@H](C)O Amb27988634 [2,0,0,0,0,0|1,0,1]=4 118 B10R0.57 CC[C@H](N)C(=O)NCC(=O)O Amb27272563 [2,0,0,0,0,0|0,0,0]=2 119 B10R0.57 CC[C@H](N)C(=O)NCC(C)O Amb27989674 [2,0,0,0,0,0|1,0,1]=4 120 B10R0.57 CC[C@H](N)C(=O)NCC(N)=O Amb27989655 [2,0,0,0,0,0|1,0,0]=3 121 B10R0.57 CC[C@H](N)C(=O)NC[C@@H](C)O Amb27988610 [2,0,0,0,0,0|1,0,1]=4 122 B10R0.57 CC[C@H](N)C(=O)NC[C@H](C)O Amb27988635 [2,0,0,0,0,0|1,0,1]=4 123 B10R0.57 COC(C)C(=O)NCC(=O)O Amb27986545 [2,0,0,0,0,0|1,1,0]=4 124 B10R0.57 CSC(C)C(=O)NCC(=O)O Amb17617821 [2,0,0,0,0,0|1,0,0]=3 125 B10R0.57 CSC(C)C(=O)NCC(C)=O Amb27988918 [2,0,0,0,0,0|2,0,0]=4 126 B10R0.57 CSC(C)C(=O)NCC(N)=O Amb27988930 [2,0,0,0,0,0|2,0,0]=4 127 B10R0.57 NC(CO)C(=O)NCC(=O)O Amb9795016 [2,0,0,0,0,0|0,1,0]=3 128 B10R0.57 NC(CS)C(=O)NCC(=O)O Amb17594540 [2,0,0,0,0,0|0,0,0]=2 129 B10R0.57 NCC(N)C(=O)NCC(=O)O Amb24762063 [2,0,0,0,0,0|1,0,0]=3 130 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O Amb22801360 [2,0,0,0,0,0|0,1,0]=3 131 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O Amb22800051 [2,0,0,0,0,0|0,0,0]=2 132 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O Amb30988052 [2,0,0,0,0,0|0,0,0]=2 133 B10R0.57 N[C@H](CO)C(=O)NCC(=O)O Amb26997304 [2,0,0,0,0,0|0,1,0]=3 134 B10R0.57 O=C(O)CNC(=O)C(O)CCl Amb27990075 [2,0,0,0,0,0|2,0,0]=4 135 B12R0.353 CSCCC(N)C(=O)N(C)CCO Amb32666275 [1,1,0,0,0,0|0,0,1]=3 136 B12R0.353 CSCC[C@H](N)C(=O)N(C)CCO Amb32653179 [1,1,0,0,0,0|0,0,1]=3 137 B12R0.648 CCCCC(N)C(=O)NCCOC Amb19059892 [1,1,0,0,0,0|1,0,1]=4 138 B12R0.648 COCCNC(=O)C(N)CCSC Amb23555044 [1,1,0,0,0,0|0,0,1]=3 139 B12R0.255 CCCCCCC(=O)NCC(=O)O Amb9013683 [1,1,0,0,0,0|1,0,0]=3 140 B12R0.255 COCCCNC(=O)CCC(=O)O Amb2102010 [1,1,0,0,0,0|1,1,0]=4 141 B12R0.645 COCCCS(=O)(=O)NCC(=O)O Amb20668292 [1,1,0,0,0,0|1,1,0]=4 142 B12R0.88 CC[C@H](C)[C@H](N)C(=O)NCC(=O)O Amb18324097 [1,1,0,0,0,0|0,0,0]=2 143 B12R0.258 CC(=O)NNC(=O)C(N)CC(C)C Amb17335923 [1,1,0,0,0,0|2,0,0]=4 144 B12R0.258 CC(C)C[C@@H](N)C(=O)NCC(=O)O Amb18324095 [1,1,0,0,0,0|0,0,0]=2 145 B12R0.258 CC(C)C[C@H](N)C(=O)NCC(=O)O Amb22353097 [1,1,0,0,0,0|0,0,0]=2 146 B12R0.258 CC(C)C[C@H](N)C(=O)NCC(N)=O Amb30625622 [1,1,0,0,0,0|1,0,0]=3 147 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O Amb22745769 [1,1,0,0,0,0|0,1,1]=4 148 B12R1.18 CSCCC1NCCCNC1=O Amb32719907 [1,0,0,1,0,0|1,0,1]=4 149 B12R1.18 CSCC[C@@H]1NCCCNC1=O Amb32719926 [1,0,0,1,0,0|1,0,1]=4 150 B12R1.30 C=CCNC(=O)[C@H]1CCCCN1 Amb28350239 [1,0,0,1,0,0|2,0,0]=4 151 B12R1.30 O=CCNC(=O)C1CCCCC1 Amb17102060 [1,0,0,1,0,0|2,0,0]=4 152 B12R1.374 CCOC[C@@H]1NC(=O)CNC1=O Amb27248261 [1,0,0,1,0,0|2,0,0]=4 153 B12R1.374 CSCCC1NC(=O)CNC1=O Amb28252421 [1,0,0,1,0,0|0,0,0]=2 154 B12R1.374 CSCCC1NC(C)=CNC1=O Amb27845399 [1,0,0,1,0,0|1,0,1]=4 155 B12R1.374 CSCCC1NC(C)=NNC1=O Amb18454733 [1,0,0,1,0,0|2,0,0]=4 156 B12R1.374 CSCCC1NC(C)CNC1=O Amb27655128 [1,0,0,1,0,0|1,0,1]=4 157 B12R1.374 CSCC[C@H]1NC(C)CNC1=O Amb18820658 [1,0,0,1,0,0|1,0,1]=4 158 B12R1.1442 C=CCN1CCCCC(N)C1=O Amb28397372 [1,0,0,1,0,0|2,0,0]=4 159 B12R1.1442 NC1CCCCN(CCO)C1=O Amb28347169 [1,0,0,1,0,0|1,0,1]=4 160 B12R1.46 CCC1CCC(=O)CC1C(=O)O Amb28068765 [1,0,0,1,0,0|2,0,0]=4 161 B12R1.54 C=C(C)CNC(=O)C1CCSC1 Amb28143377 [1,0,0,1,0,0|2,0,0]=4 162 B12R1.54 C=C(Cl)CNC(=O)C1CCSC1 Amb27847396 [1,0,0,1,0,0|2,0,0]=4 163 B12R1.54 CC(=O)CNC(=O)C1CCSC1 Amb27458295 [1,0,0,1,0,0|1,0,0]=3 164 B12R1.54 CC(=O)NNC(=O)C1CCSC1 Amb28127693 [1,0,0,1,0,0|2,0,0]=4 165 B12R1.54 C[C@H](O)CNC(=O)C1CCSC1 Amb28124039 [1,0,0,1,0,0|1,0,1]=4 166 B12R1.54 NC(=O)CNC(=O)[C@@H]1CCNC1 Amb29869538 [1,0,0,1,0,0|2,0,0]=4 167 B12R1.54 O=C(O)CCC(=O)C1CCCC1 Amb2699517 [1,0,0,1,0,0|2,0,0]=4 168 B12R1.54 O=C(O)CCC(=O)C1CCNC1 Amb18198662 [1,0,0,1,0,0|2,0,0]=4 169 B12R1.54 O=C(O)CCC(=O)C1CCSC1 Amb18820774 [1,0,0,1,0,0|1,0,0]=3 170 B12R1.54 O=C(O)CNC(=O)C1CCCC1 Amb1116958 [1,0,0,1,0,0|1,0,0]=3 171 B12R1.54 O=C(O)CNC(=O)C1CCCN1 Amb24271199 [1,0,0,1,0,0|2,0,0]=4 172 B12R1.54 O=C(O)CNC(=O)C1CCCN1 Amb2700063 [1,0,0,1,0,0|2,0,0]=4 173 B12R1.54 O=C(O)CNC(=O)C1CCCO1 Amb9704341 [1,0,0,1,0,0|2,0,0]=4 174 B12R1.54 O=C(O)CNC(=O)C1CCCS1 Amb27647434 [1,0,0,1,0,0|2,0,0]=4 175 B12R1.54 O=C(O)CNC(=O)C1CCNC1 Amb19001621 [1,0,0,1,0,0|1,0,0]=3 176 B12R1.54 O=C(O)CNC(=O)C1CCOC1 Amb18974292 [1,0,0,1,0,0|0,1,0]=3 177 B12R1.54 O=C(O)CNC(=O)C1CSCN1 Amb17143082 [1,0,0,1,0,0|1,0,0]=3 178 B12R1.54 O=C(O)CNC(=O)N1CCCC1 Amb9304823 [1,0,0,1,0,0|2,0,0]=4 179 B12R1.54 O=C(O)CNC(=O)[C@@H]1CCCN1 Amb18794315 [1,0,0,1,0,0|2,0,0]=4 180 B12R1.54 O=C(O)CNC(=O)[C@@H]1CCCN1 Amb30584849 [1,0,0,1,0,0|2,0,0]=4 181 B12R1.54 O=C(O)CNC(=O)[C@@H]1CCNC1 Amb35675163 [1,0,0,1,0,0|1,0,0]=3 182 B12R1.54 O=C(O)CNC(=O)[C@H]1CCCO1 Amb27864681 [1,0,0,1,0,0|2,0,0]=4 183 B12R1.54 O=C(O)CNC(=O)[C@H]1CCNC1 Amb35593682 [1,0,0,1,0,0|1,0,0]=3 184 B12R1.147 CC1CC1NC(=O)NCC(=O)O Amb18990746 [1,0,0,1,0,0|2,0,0]=4 185 B12R1.210 NC(=O)CN1CCCCCC1=O Amb541239 [1,0,0,1,0,0|2,0,0]=4 186 B12R1.210 O=C(O)CC1CCCCCC1=O Amb18825694 [1,0,0,1,0,0|2,0,0]=4 187 B12R1.210 O=C(O)CN1CCCCCC1=O Amb415920 [1,0,0,1,0,0|1,0,0]=3 188 B12R1.210 O=C(O)CN1CCCNCC1=O Amb27965728 [1,0,0,1,0,0|2,0,0]=4 189 B12R1.210 O=C(O)CN1CCNCCC1=O Amb27665814 [1,0,0,1,0,0|2,0,0]=4 190 B12R1.276 CCC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb28384100 [1,0,0,1,0,0|1,0,0]=3 191 B12R1.276 CCC[C@@H]1CC(=O)OC1C(=O)O Amb27233499 [1,0,0,1,0,0|2,0,0]=4 192 B12R1.1009 CC1=C(CC(=O)O)C(=O)CCC1 Amb28141996 [1,0,0,1,0,0|2,0,0]=4 193 B12R1.1009 O=C(O)CN1C(=O)CCCC1=O Amb8471650 [1,0,0,1,0,0|2,0,0]=4 194 B12R1.1011 O=C1CCCCCC(C(=O)O)C1 Amb25187509 [1,0,0,1,0,0|2,0,0]=4 195 B12R1.1011 O=C1CCSCCC(C(=O)O)N1 Amb27166504 [1,0,0,1,0,0|2,0,0]=4 196 B12R1.1011 O=C1CCSCC[C@H](C(=O)O)N1 Amb28198021 [1,0,0,1,0,0|2,0,0]=4 197 B12R1.1343 O=C(O)CNC1=NCCCCC1 Amb1083417 [1,0,0,1,0,0|2,0,0]=4 198 B12R1.1343 O=C(O)CNC1CCCSCC1 Amb35700457 [1,0,0,1,0,0|1,0,1]=4 199 B12R1.221 CC(=O)CNC(=O)C1CC(C)C1 Amb30031857 [1,0,0,1,0,0|2,0,0]=4 200 B12R1.221 CC1CN(C(=O)NCC(=O)O)C1 Amb35582527 [1,0,0,1,0,0|2,0,0]=4 201 B12R1.221 NC1CC(C(=O)NCC(=O)O)C1 Amb29888325 [1,0,0,1,0,0|2,0,0]=4 202 B12R1.221 N[C@H]1C[C@@H](C(=O)NCC(=O)O)C1 Amb35594511 [1,0,0,1,0,0|2,0,0]=4 203 B12R1.221 N[C@H]1C[C@H](C(=O)NCC(=O)O)C1 Amb35585983 [1,0,0,1,0,0|2,0,0]=4 204 B12R1.224 C=C(Cl)CN1CCCC(N)C1=O Amb28066233 [1,0,0,1,0,0|2,0,0]=4 205 B12R1.224 CC1NCCN(CC(=O)O)C1=O Amb27639201 [1,0,0,1,0,0|2,0,0]=4 206 B12R1.224 CN1CCCN(CC(=O)O)C1=O Amb18198334 [1,0,0,1,0,0|2,0,0]=4 207 B12R1.224 C[C@@H]1NCCN(CC(=O)O)C1=O Amb27258661 [1,0,0,1,0,0|2,0,0]=4 208 B12R1.224 NC(=O)CN1CCCC(Br)C1=O Amb27478782 [1,0,0,1,0,0|2,0,0]=4 209 B12R1.224 NC(=O)CN1CCCN(N)C1=O Amb27233932 [1,0,0,1,0,0|2,0,0]=4 210 B12R1.224 NC(=O)CN1CCC[C@H](N)C1=O Amb27789935 [1,0,0,1,0,0|1,0,0]=3 211 B12R1.224 NC1CCCN(CC(=O)O)C1=O Amb27470744 [1,0,0,1,0,0|0,0,0]=2 212 B12R1.224 NC1CCCN(CC(=O)O)C1=O Amb33743371 [1,0,0,1,0,0|0,0,0]=2 213 B12R1.274 CCCC1CC(C(=O)O)CC1=O Amb18647385 [1,0,0,1,0,0|2,0,0]=4 214 B12R1.274 CCCN1CC(C(=O)O)NC1=O Amb25350364 [1,0,0,1,0,0|2,0,0]=4 215 B12R1.274 CCCN1C[C@@H](C(=O)O)NC1=O Amb28458539 [1,0,0,1,0,0|2,0,0]=4 216 B12R1.274 CCC[C@H]1C[C@@H](C(=O)O)NC1=O Amb28369924 [1,0,0,1,0,0|1,0,0]=3 217 B12R1.766 CCC1C(C)C(=O)CC1C(=O)O Amb27760392 [1,0,0,1,0,0|2,0,0]=4 218 B12R1.854 CC(=O)CN1C(=O)C(C)CC1C Amb27473580 [1,0,0,1,0,0|2,0,0]=4 219 B12R1.854 CC1CC(C)N(CC(=O)O)C1=O Amb28347305 [1,0,0,1,0,0|1,0,0]=3 220 B12R1.854 CC1CC(C)N(CC(N)=O)C1=O Amb27389299 [1,0,0,1,0,0|2,0,0]=4 221 B12R1.1247 CC1(C(=O)NCC(=O)O)CC1F Amb28068016 [1,0,0,1,0,0|2,0,0]=4 222 B12R1.2243 C=C(Br)CNC(=O)C1(N)CCC1 Amb27240454 [1,0,0,1,0,0|2,0,0]=4 223 B12R1.2243 CC(O)CNC(=O)C1(N)CCC1 Amb27178358 [1,0,0,1,0,0|1,0,1]=4 224 B12R1.2243 CC1(C(=O)NCC(=O)O)CNC1 Amb27795732 [1,0,0,1,0,0|2,0,0]=4 225 B12R1.2243 NC(=O)CNC(=O)C1(Br)CCC1 Amb27852984 [1,0,0,1,0,0|2,0,0]=4 226 B12R1.2594 CCCC1(C)CC(=O)CNC1=O Amb33329629 [1,0,0,1,0,0|2,0,0]=4 227 B12R1.127 CC1CCC(N)CN1CC(=O)O Amb35643289 [1,0,0,1,0,0|1,0,1]=4 228 B12R1.337 CSCCC1NC(C(=O)O)CS1 Amb19003936 [1,0,0,1,0,0|2,0,0]=4 229 B12R1.107 NC(=O)NC(=O)C1CCSCC1 Amb35694979 [0,0,0,1,1,0|2,0,0]=4 230 B12R1.107 NC(=O)NC(=O)[C@@H]1CCCCN1 Amb27981713 [0,0,0,1,1,0|2,0,0]=4 231 B12R1.107 O=C(O)CC(=O)N1CCSCC1 Amb18284926 [0,0,0,1,1,0|2,0,0]=4 232 B12R1.377 CSCCC1NS(=O)(=O)NC1=O Amb27238939 [0,0,0,1,1,0|1,0,1]=4 233 B12R1.1353 NC(=O)NC(=O)C(N)C1CCC1 Amb27449347 [0,0,0,1,1,0|2,0,0]=4 234 B12R1.2261 CCCCC1(C)OC(=O)NC1=O Amb27482557 [0,0,0,1,1,0|2,0,0]=4 235 B12R1.2679 NC(=O)NC(=O)C1(N)CCCC1 Amb27389455 [0,0,0,1,1,0|2,0,0]=4 236 B12R1.2679 NC(=O)NC(=O)C1(N)CCOC1 Amb27242453 [0,0,0,1,1,0|1,1,0]=4 237 B14R1.129 CN1CCC(NC(=O)NCC(=O)O)C1 Amb18979339 [0,0,0,1,0,1|2,0,0]=4 238 B14R1.160 CC1CCCCC1C(=O)NCC(=O)O Amb844399 [0,0,0,1,0,1|2,0,0]=4 239 B14R1.160 CC1CCNCC1C(=O)NCC(=O)O Amb35640290 [0,0,0,1,0,1|2,0,0]=4 240 B14R1.160 NC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1N Amb27440018 [0,0,0,1,0,1|2,0,0]=4 241 B14R1.160 NC1CCCCC1C(=O)NCC(=O)O Amb27165382 [0,0,0,1,0,1|1,0,0]=3 242 B14R1.423 O=C(O)CNC(=O)CC1CCCCC1 Amb6743844 [0,0,0,1,0,1|2,0,0]=4 243 B14R1.423 O=C(O)CNC(=O)NC1CCCCC1 Amb1119472 [0,0,0,1,0,1|2,0,0]=4 244 B14R1.1374 CSCCC1COC(=O)CCC(=O)N1 Amb27588070 [0,0,0,1,0,1|2,0,0]=4 245 B14R1.10391 CC1(NC(=O)NCC(=O)O)CCOC1 Amb27493587 [0,0,0,1,0,1|1,1,0]=4 246 B14R1.420 O=C(O)CCNC(=O)C1CCCCC1 Amb1121032 [0,0,0,1,0,1|2,0,0]=4 247 B14R1.163 CNC(=O)CNC(=O)[C@H]1CCCCN1 Amb27597719 [0,1,0,1,0,0|2,0,0]=4 248 B14R1.163 N\C(CNC(=O)C1CCSCC1)=N/O Amb35698319 [0,1,0,1,0,0|2,0,0]=4 249 B14R1.10161 COC(=O)CN1C=CCCC(N)C1=O Amb27950048 [0,1,0,1,0,0|1,0,1]=4 250 B14R1.10161 COC(=O)CN1CC=CC[C@H](N)C1=O Amb27623280 [0,1,0,1,0,0|1,0,1]=4 251 B14R1.10161 COC(=O)CN1CCCCC(N)C1=O Amb28365010 [0,1,0,1,0,0|1,0,0]=3 252 B14R1.19457 COC(=O)C1CSSCC(N)C(=O)N1 Amb27183915 [0,1,0,1,0,0|1,0,0]=3 253 B14R1.149 CC1CC(C(=O)NCC(=O)O)CCN1 Amb27198180 [0,1,0,1,0,0|2,0,0]=4 254 B14R1.149 CN1CCCC(C(=O)NCC(=O)O)C1 Amb20414322 [0,1,0,1,0,0|2,0,0]=4 255 B14R1.415 CC(=O)C(C)NC(=O)C1CCSCC1 Amb35698371 [0,1,0,1,0,0|2,0,0]=4 256 B14R1.415 CC(NC(=O)C1CCCCC1)C(=O)O Amb2469131 [0,1,0,1,0,0|2,0,0]=4 257 B14R1.415 CC(NC(=O)C1CCOCC1)C(=O)O Amb6743921 [0,1,0,1,0,0|1,1,0]=4 258 B14R1.415 CC(NC(=O)C1CCSCC1)C(N)=O Amb35724563 [0,1,0,1,0,0|2,0,0]=4 259 B14R1.415 CC(NC(=O)[C@@H]1CCCCN1)C(=O)O Amb27183239 [0,1,0,1,0,0|1,0,0]=3 260 B14R1.415 C[C@@H](NC(=O)C1CCCCC1)C(=O)O Amb19295779 [0,1,0,1,0,0|2,0,0]=4 261 B14R1.415 C[C@@H](NC(=O)C1CCSCC1)C(N)=O Amb35639618 [0,1,0,1,0,0|2,0,0]=4 262 B14R1.415 C[C@@H](NC(=O)[C@H]1CCCCN1)C(=O)O Amb27210763 [0,1,0,1,0,0|1,0,0]=3 263 B14R1.415 C[C@H](NC(=O)C1CCCCC1)C(=O)O Amb10609753 [0,1,0,1,0,0|2,0,0]=4 264 B14R1.415 C[C@H](NC(=O)C1CCCCS1)C(=O)O Amb27406492 [0,1,0,1,0,0|2,0,0]=4 265 B14R1.415 C[C@H](NC(=O)C1CCNCC1)C(=O)O Amb28382482 [0,1,0,1,0,0|2,0,0]=4 266 B14R1.415 C[C@H](NC(=O)C1CCSCC1)C(N)=O Amb29859543 [0,1,0,1,0,0|2,0,0]=4 267 B14R1.415 C[C@H](NC(=O)C1COCCN1)C(=O)O Amb27601701 [0,1,0,1,0,0|2,0,0]=4 268 B14R1.4267 CC(NC(=O)C1CCC(=O)N1)C(=O)O Amb6279677 [0,1,0,1,0,0|2,0,0]=4 269 B14R1.4267 CC(NC(=O)[C@H]1CCC(=O)N1)C(=O)O Amb27248887 [0,1,0,1,0,0|2,0,0]=4 270 B14R1.4267 C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O Amb26594268 [0,1,0,1,0,0|2,0,0]=4 271 B14R1.4267 C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)O Amb27662765 [0,1,0,1,0,0|2,0,0]=4 272 B14R1.4267 C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O Amb27870717 [0,1,0,1,0,0|2,0,0]=4 273 B14R1.4943 CC(C(=O)O)N1CCCCC(N)C1=O Amb27797203 [0,1,0,1,0,0|1,0,0]=3 274 B14R1.16470 CC(NC(=O)C1(N)CCOC1)C(=O)O Amb27611858 [0,1,0,1,0,0|0,1,0]=3 275 B14R1.16470 C[C@@H](NC(=O)C1(N)CCCC1)C(=O)O Amb19048031 [0,1,0,1,0,0|1,0,0]=3 276 B14R1.16470 C[C@@H](NC(=O)C1(N)CCCC1)C(N)=O Amb27824772 [0,1,0,1,0,0|2,0,0]=4 277 B14R1.4500 CC1(C(=O)NCC(=O)O)CCCC1N Amb27418468 [0,1,0,1,0,0|2,0,0]=4 278 B14R1.10371 CC(=O)CNC(=O)C1CCCSCC1 Amb35627217 [0,1,0,1,0,0|2,0,0]=4 279 B14R1.10371 NC(=O)CNC(=O)C1CCCCCN1 Amb27863245 [0,1,0,1,0,0|2,0,0]=4 280 B14R1.10371 NC(=O)CNC(=O)C1CCCSCC1 Amb30031381 [0,1,0,1,0,0|2,0,0]=4 281 B14R1.10371 O=C(O)CNC(=O)C1CCCCCC1 Amb18299593 [0,1,0,1,0,0|2,0,0]=4 282 B14R1.10371 O=C(O)CNC(=O)C1CCCSCC1 Amb29884182 [0,1,0,1,0,0|1,0,0]=3 283 B14R1.10382 CC1(C(=O)NCC(=O)O)CCCCN1 Amb28409198 [0,1,0,1,0,0|1,0,0]=3 284 B14R1.10382 CC1(C(=O)NCC(=O)O)CCCNC1 Amb27388696 [0,1,0,1,0,0|2,0,0]=4 285 B14R1.10382 CC1(C(=O)NCC(=O)O)CCNCC1 Amb27419325 [0,1,0,1,0,0|2,0,0]=4 286 B14R1.10382 CC1(C(=O)NCC(N)=O)CCCCN1 Amb28321003 [0,1,0,1,0,0|2,0,0]=4 287 B14R1.10382 NC(=O)CNC(=O)C1(N)CCOCC1 Amb27854396 [0,1,0,1,0,0|1,1,0]=4 288 B14R1.10382 O=C(O)CNC(=O)C1(O)CCCCC1 Amb24473867 [0,1,0,1,0,0|2,0,0]=4 289 B14R1.678 CC1CCC(C(=O)NCC(=O)O)CC1 Amb1805496 [0,1,0,1,0,0|2,0,0]=4 290 B14R1.678 CN1CCC(C(=O)NCC(=O)O)CC1 Amb20414336 [0,1,0,1,0,0|2,0,0]=4 291 B14R1.678 O=C(O)CNC(=O)C1CCC(=O)CC1 Amb35592243 [0,1,0,1,0,0|2,0,0]=4 292 B14R1.678 O=C(O)CNC(=O)C1CCC(=O)NC1 Amb27270819 [0,1,0,1,0,0|2,0,0]=4 293 B14R1.3595 CNC1CCCCN(CC(=O)O)C1=O Amb35664222 [0,1,0,1,0,0|1,0,0]=3 294 B14R1.3595 COC1CCCCN(CC(=O)O)C1=O Amb27489800 [0,1,0,1,0,0|2,0,0]=4 295 B14R1.3595 CSC1CCCCN(CC(=O)O)C1=O Amb35667539 [0,1,0,1,0,0|2,0,0]=4 296 B14R1.3595 NOC1CCCCN(CC(=O)O)C1=O Amb35665683 [0,1,0,1,0,0|1,0,0]=3 297 B14R1.3595 O=C(O)CN1CCCCC(NO)C1=O Amb35664223 [0,1,0,1,0,0|1,0,0]=3 298 B14R1.417 CN(CC(=O)O)C(=O)C1CCCCC1 Amb1115423 [0,1,0,1,0,0|2,0,0]=4 299 B14R1.5886 CC1(C)CSSCC(C(=O)O)NC1=O Amb27488269 [0,1,0,1,0,0|2,0,0]=4 300 B14R1.5886 CC1(C)CSSC[C@@H](C(=O)O)NC1=O Amb26867416 [0,1,0,1,0,0|2,0,0]=4 301 B14R2.15560 O=C(O)CNC(=O)C12CCCC1C2 Amb30035665 [0,0,0,2,0,0|2,0,0]=4 302 B14R2.15560 O=C(O)CNC(=O)C12CNCC1C2 Amb35605052 [0,0,0,2,0,0|2,0,0]=4 303 B14R2.15560 O=C(O)CNC(=O)C12COCC1C2 Amb35654266 [0,0,0,2,0,0|1,1,0]=4 304 B14R2.15573 O=C(O)CNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 Amb35621772 [0,0,0,2,0,0|2,0,0]=4 305 B14R2.25365 O=C(O)CN1C(=O)C2CCC1CC2 Amb27974918 [0,0,0,2,0,0|2,0,0]=4 306 B14R2.25733 O=C(O)C1CC(=O)C2CCCCN12 Amb18823389 [0,0,0,2,0,0|2,0,0]=4 307 B14R2.25733 O=C1NC(C(=O)O)C2CCCCC12 Amb27165828 [0,0,0,2,0,0|2,0,0]=4 308 B14R2.5062 NC1CC2SC=C(C(=O)O)N2C1=O Amb27206640 [0,0,0,2,0,0|0,0,2]=4 309 B14R2.5062 N[C@H]1C[C@H]2SC=C(C(=O)O)N2C1=O Amb28247091 [0,0,0,2,0,0|0,0,2]=4 310 B14R2.5412 C[C@H]1C(=O)N2[C@H](C(=O)O)CCC[C@@H]12 Amb28385561 [0,0,0,2,0,0|2,0,0]=4 311 B14R2.5412 NC1C(=O)N2C(C(=O)O)=CSCC12 Amb28186604 [0,0,0,2,0,0|0,0,2]=4 312 B10R0.6 CNCCCC(=O)NC(N)=O Amb27492000 [1,0,0,0,1,0|2,0,0]=4 313 B10R0.6 CSCCCC(=O)NC(N)=O Amb27271825 [1,0,0,0,1,0|1,0,0]=3 314 B10R0.6 CSCCCC(N)CC(=O)O Amb33308380 [1,0,0,0,1,0|1,0,1]=4