0 B10R0.70 C=C(C)CC(CBr)CC(C)C Amb32689628 [0,0,0,0,0,0|3,0,0]=3 1 B10R0.70 C=C(C)CC(CCl)CC(C)C Amb32689621 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.70 C=C(Cl)CC(CBr)CC(C)C Amb32689679 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.70 C=C(Cl)CC(CCl)CC(C)C Amb32689672 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.70 C=C[C@H](CC(C)C)NC(C)=O Amb28080108 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.70 CC(=O)NC(C#N)CC(C)C Amb17399965 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.70 CC(=O)NC(CBr)CC(C)C Amb27670638 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.70 CC(=O)NC(CCl)CC(C)C Amb27670622 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.70 CC(=O)NC(CN)CC(C)C Amb27986770 [0,0,0,0,0,0|2,0,0]=2 9 B10R0.70 CC(=O)NC(CO)CC(C)C Amb17138489 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.70 CC(=O)N[C@H](C#N)CC(C)C Amb27176538 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.70 CC(=S)N[C@H](CO)CC(C)C Amb27818745 [0,0,0,0,0,0|3,1,0]=4 12 B10R0.70 CC(C)=CC(CC(C)C)NN Amb27671218 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.70 CC(C)=CC(CN)CC(=O)O Amb22054874 [0,0,0,0,0,0|0,0,2]=2 14 B10R0.70 CC(C)=CC(CO)CC(C)C Amb27989906 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.70 CC(C)CC(C#N)CC(=O)O Amb26659260 [0,0,0,0,0,0|0,0,2]=2 16 B10R0.70 CC(C)CC(CBr)CC(C)C Amb32688574 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.70 CC(C)CC(CBr)CC(F)F Amb32690540 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.70 CC(C)CC(CCl)CC(C)C Amb32688573 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.70 CC(C)CC(CCl)CC(F)F Amb32690535 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.70 CC(C)CC(CN)CC(=O)O Amb2697343 [0,0,0,0,0,0|0,0,0]=0 21 B10R0.70 CC(C)CC(CN)OC(C)C Amb33034916 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.70 CC(C)CN(C#N)CC(N)=O Amb27266523 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O Amb2236275 [0,0,0,0,0,0|0,0,0]=0 24 B10R0.70 CC(C)C[C@@H](CO)NC(=S)S Amb27673442 [0,0,0,0,0,0|2,2,0]=4 25 B10R0.70 CC(C)C[C@H](C#N)CC(=O)O Amb25386284 [0,0,0,0,0,0|0,0,2]=2 26 B10R0.70 CC(C)C[C@H](CN)CC(=O)O Amb22224989 [0,0,0,0,0,0|0,0,0]=0 27 B10R0.70 CCC(C=C(C)C)CC(C)=O Amb27672588 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.70 CCC(CC(=O)O)CC(=O)O Amb33172175 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.70 CCC(CC(=O)O)CC(C)C Amb32412865 [0,0,0,0,0,0|1,0,0]=1 30 B10R0.70 CCC(CC(=O)O)CN(C)C Amb33329067 [0,0,0,0,0,0|2,0,0]=2 31 B10R0.70 CCC(CC(=O)O)CN(C)C Amb33329278 [0,0,0,0,0,0|2,0,0]=2 32 B10R0.70 CCC(CC(=O)O)NC(C)=O Amb25384609 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.70 CC[C@H](CC(=O)O)NC(C)=O Amb27272274 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.70 COC(CC(C)C)CS(=O)Cl Amb32720853 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.70 COC(CC(C)C)CS(=O)[O-] Amb32755490 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.70 COC(CC(C)C)CS(N)=O Amb32720854 [0,0,0,0,0,0|4,0,0]=4 37 B10R0.70 COC(CC(C)C)NC(C)=O Amb27673637 [0,0,0,0,0,0|4,0,0]=4 38 B10R0.70 O=C(O)CC(CF)CC(=O)O Amb33379251 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.14 C#CCC(CC(C)C)NN Amb27640894 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.14 C#CC[C@@H](CO)CC(C)C Amb28138784 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.14 C=C(C)CC(CBr)CCC Amb32689649 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.14 C=C(C)CC(CCl)CCC Amb25132141 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.14 C=C(Cl)CC(CBr)CCC Amb32689753 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.14 C=C(Cl)CC(CCl)CCC Amb32689727 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.14 C=CC(CC(=O)O)OCC Amb27882607 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.14 C=CC(CCC)CC(=O)O Amb26348136 [1,0,0,0,0,0|1,0,1]=3 47 B9R0.14 C=CCC(C=O)CC(C)C Amb28049874 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.14 C=CCC(CBr)CC(C)C Amb24451397 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.14 C=CCC(CBr)OC(C)C Amb27792914 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.14 C=CCC(CC(C)C)NC Amb27403486 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.14 C=CCC(CCl)CC(C)C Amb27393317 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.14 C=CCC(CN)CC(C)C Amb28069079 [1,0,0,0,0,0|1,0,0]=2 53 B9R0.14 CC(C)CC(C#N)NC=O Amb27390521 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.14 CC(C)CC(CN)CCO Amb19149332 [1,0,0,0,0,0|0,0,1]=2 55 B9R0.14 CC(C)C[C@@H](CN)N=[N+]=[N-] Amb27646478 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.14 CC(C)C[C@H](CN)CC=O Amb27174161 [1,0,0,0,0,0|0,0,0]=1 57 B9R0.14 CC(C)C[C@H](CO)NC=O Amb27168164 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.14 CCC(CC=O)CC(C)=O Amb26587505 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.14 CCC(CC=O)CC(C)C Amb27828925 [1,0,0,0,0,0|1,0,0]=2 60 B9R0.14 CCC(CC=O)CC(C)O Amb27792701 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.14 CCC(CCO)CC(=O)O Amb27216253 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.14 CCC(CCO)CN(C)C Amb28048014 [1,0,0,0,0,0|2,0,1]=4 63 B9R0.14 CCC(COC)CC(=O)O Amb18202336 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.14 CCCC(C#N)CC(=O)O Amb28132763 [1,0,0,0,0,0|0,0,2]=3 65 B9R0.14 CCCC(C#N)CC(C)=O Amb25714287 [1,0,0,0,0,0|1,0,2]=4 66 B9R0.14 CCCC(CBr)CC(C)C Amb25712263 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.14 CCCC(CC(=O)O)SC Amb27660749 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.14 CCCC(CC)CC(=O)O Amb18124694 [1,0,0,0,0,0|1,0,0]=2 69 B9R0.14 CCCC(CC)NC(N)=O Amb4009047 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.14 CCCC(CC)OC(=O)Cl Amb32655634 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.14 CCCC(CCl)CC(C)C Amb25039933 [1,0,0,0,0,0|2,0,1]=4 72 B9R0.14 CCCC(CI)CC(=O)O Amb8395787 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.14 CCCC(CN)CC(=O)O Amb24587738 [1,0,0,0,0,0|0,0,0]=1 74 B9R0.14 CCCC(CN)NC(C)C Amb27848434 [1,0,0,0,0,0|2,0,1]=4 75 B9R0.14 CCCC(CN)OC(C)C Amb26971866 [1,0,0,0,0,0|2,0,1]=4 76 B9R0.14 CCC[C@@H](C#N)CC(=O)O Amb27469248 [1,0,0,0,0,0|0,0,2]=3 77 B9R0.14 CCC[C@H](C#N)CC(=O)O Amb27219782 [1,0,0,0,0,0|0,0,2]=3 78 B9R0.14 CCC\C(=C\C(=O)O)CC Amb4020004 [1,0,0,0,0,0|1,0,2]=4 79 B9R0.14 CCC\C(CC(=O)O)=N/O Amb27755096 [1,0,0,0,0,0|2,0,1]=4 80 B9R0.14 CCN(CCO)CC(=O)O Amb5761133 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.14 CCOC(CCl)CC(=O)O Amb27494074 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.14 CCOC(CCl)CC(C)=O Amb27618172 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.14 CCOC(CN)CC(C)C Amb24663898 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.14 CCSC(CC)CC(=O)O Amb18788141 [1,0,0,0,0,0|2,0,0]=3 85 B9R0.14 CC[C@H](CC=O)CC(C)C Amb27837950 [1,0,0,0,0,0|1,0,0]=2 86 B9R0.14 CNC(CCO)CC(C)C Amb27424749 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.14 COCC(CBr)CC(C)C Amb26554154 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.14 COCC(CCl)CC(C)C Amb26339422 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.14 COCC(CN)CC(=O)O Amb33428858 [1,0,0,0,0,0|1,0,0]=2 90 B9R0.14 COCC(CN)CC(C)C Amb26843297 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.14 COCC(CN)NC(C)C Amb27446980 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.14 COCC(CN)NC(N)=O Amb27807301 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.14 COCC(CN)OC(C)C Amb24479641 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.14 COCC(CN)SC(C)C Amb27412910 [1,0,0,0,0,0|3,0,0]=4 95 B9R0.14 COCC(CO)CC(C)C Amb25088645 [1,0,0,0,0,0|3,0,0]=4 96 B9R0.14 CSCC(CC(C)C)NN Amb27658670 [1,0,0,0,0,0|3,0,0]=4 97 B9R0.14 CSCC(CN)CC(=O)O Amb33272064 [1,0,0,0,0,0|1,0,0]=2 98 B9R0.14 C\C=C\[C@@H](CC)CC(=O)O Amb28422930 [1,0,0,0,0,0|1,0,2]=4 99 B9R0.14 NCC(CCF)CC(=O)O Amb33196466 [1,0,0,0,0,0|1,0,0]=2 100 B9R0.14 O=C(O)CN(CO)CCO Amb27424060 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.53 C=C(C)CC(C)CC(C)=O Amb28206391 [1,0,0,0,0,0|1,0,2]=4 102 B9R0.53 C=C(C)CC(C)CC(C)C Amb27391628 [1,0,0,0,0,0|2,0,0]=3 103 B9R0.53 C=C(C)CC(N)CC(=O)O Amb32687894 [1,0,0,0,0,0|0,0,2]=3 104 B9R0.53 C=C(C)C[C@@H](O)CC(C)C Amb28050778 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.53 C=C(CC(=O)O)CC(C)C Amb18643897 [1,0,0,0,0,0|0,0,2]=3 106 B9R0.53 CC(=N)NC(C)CC(C)C Amb27613701 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.53 CC(=O)CC(=O)CC(C)C Amb8516702 [1,0,0,0,0,0|2,0,1]=4 108 B9R0.53 CC(=O)CC(C)CC(C)C Amb20621119 [1,0,0,0,0,0|1,0,0]=2 109 B9R0.53 CC(=O)CC(C)CN(C)C Amb28252208 [1,0,0,0,0,0|2,0,0]=3 110 B9R0.53 CC(=O)CC(O)CC(C)O Amb28202187 [1,0,0,0,0,0|3,0,0]=4 111 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,0,0,0,0,0|1,0,1]=3 112 B9R0.53 CC(=O)C[C@@H](O)CC(C)C Amb27471828 [1,0,0,0,0,0|2,0,0]=3 113 B9R0.53 CC(=O)C[C@H](O)C[C@@H](C)O Amb27973069 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.53 CC(=O)NC(C)CC(C)Br Amb28255391 [1,0,0,0,0,0|3,0,0]=4 116 B9R0.53 CC(=O)NC(C)CC(C)Cl Amb27851051 [1,0,0,0,0,0|3,0,0]=4 117 B9R0.53 CC(=O)NC(C)OC(C)C Amb22729317 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.53 CC(=O)N[C@H](C)CN(C)C Amb27198150 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.53 CC(=O)OC(C)CC(C)Br Amb27257886 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.53 CC(=O)OC(C)CC(C)C Amb22733405 [1,0,0,0,0,0|2,0,0]=3 122 B9R0.53 CC(=O)OC(C)CC(C)Cl Amb28119662 [1,0,0,0,0,0|3,0,0]=4 123 B9R0.53 CC(=O)OC(C)CN(C)C Amb4020548 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.53 CC(=O)O[C@H](C)C[C@@H](C)Cl Amb27945614 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.53 CC(=O)O[C@H](C)C[C@H](C)Cl Amb27433810 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,0,0,0,0,0|2,0,1]=4 128 B9R0.53 CC(=O)\C=C(/C)CC(C)C Amb28063284 [1,0,0,0,0,0|1,0,2]=4 129 B9R0.53 CC(C)=CC(N)CC(N)=O Amb25805588 [1,0,0,0,0,0|1,0,2]=4 130 B9R0.53 CC(C)CC(=N)CC(N)=O Amb27827487 [1,0,0,0,0,0|1,0,2]=4 131 B9R0.53 CC(C)CC(Br)NC(N)=O Amb27635818 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.53 CC(C)CC(C)CC(=O)O Amb6749218 [1,0,0,0,0,0|0,0,0]=1 133 B9R0.53 CC(C)CC(C)CC(C)C Amb10069382 [1,0,0,0,0,0|2,0,1]=4 134 B9R0.53 CC(C)CC(C)CC(C)O Amb33546273 [1,0,0,0,0,0|1,0,1]=3 135 B9R0.53 CC(C)CC(C)NC(=O)Cl Amb35625633 [1,0,0,0,0,0|2,0,0]=3 136 B9R0.53 CC(C)CC(C)OC(=O)Cl Amb33531475 [1,0,0,0,0,0|2,0,0]=3 137 B9R0.53 CC(C)CC(C)SC(=N)N Amb27602440 [1,0,0,0,0,0|3,0,0]=4 138 B9R0.53 CC(C)CC(Cl)OC(=O)Cl Amb27618475 [1,0,0,0,0,0|3,0,0]=4 139 B9R0.53 CC(C)CC(N)CC(=O)O Amb2438867 [1,0,0,0,0,0|0,0,0]=1 140 B9R0.53 CC(C)CC(N)CC(C)C Amb19373200 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.53 CC(C)CC(N)CC(C)C Amb6718929 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.53 CC(C)CC(N)CC(N)=O Amb25785407 [1,0,0,0,0,0|1,0,0]=2 143 B9R0.53 CC(C)CC(N)CN(C)C Amb6715642 [1,0,0,0,0,0|3,0,0]=4 144 B9R0.53 CC(C)CC(O)CC(=O)O Amb17232005 [1,0,0,0,0,0|1,0,0]=2 145 B9R0.53 CC(C)CN(C)CC(=N)N Amb8899951 [1,0,0,0,0,0|3,0,0]=4 146 B9R0.53 CC(C)CN(C)CC(=O)O Amb8900040 [1,0,0,0,0,0|1,0,0]=2 147 B9R0.53 CC(C)CN(C)CC(C)O Amb17334256 [1,0,0,0,0,0|2,0,1]=4 148 B9R0.53 CC(C)CN(C)CC(N)=O Amb28204122 [1,0,0,0,0,0|2,0,0]=3 149 B9R0.53 CC(C)CN(C)CC(N)=S Amb8899887 [1,0,0,0,0,0|2,1,0]=4 150 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631385 [1,0,0,0,0,0|0,0,0]=1 151 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Amb8631386 [1,0,0,0,0,0|0,0,0]=1 152 B9R0.53 CC(C)C[C@@H](N)CN(C)C Amb26603723 [1,0,0,0,0,0|3,0,0]=4 153 B9R0.53 CC(C)C[C@@H](O)CC(=O)O Amb28050162 [1,0,0,0,0,0|1,0,0]=2 154 B9R0.53 CC(C)C[C@@H](O)C[C@H](C)O Amb27594620 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb16184017 [1,0,0,0,0,0|0,0,0]=1 156 B9R0.53 CC(C)C[C@H](N)CC(=O)O Amb19944305 [1,0,0,0,0,0|0,0,0]=1 157 B9R0.53 CC(C)C[C@H](N)CC(N)=O Amb28120875 [1,0,0,0,0,0|1,0,0]=2 158 B9R0.53 CC(C)C[C@H](N)CN(C)C Amb24435743 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.53 CC(C)C[C@H](O)CC(=O)O Amb24505145 [1,0,0,0,0,0|1,0,0]=2 160 B9R0.53 CC(C)NC(=O)CC(=O)O Amb17399889 [1,0,0,0,0,0|2,0,1]=4 161 B9R0.53 CC(C)NC(C)CC(=O)O Amb9398367 [1,0,0,0,0,0|1,0,0]=2 162 B9R0.53 CC(C)NC(C)CC(N)=O Amb17231987 [1,0,0,0,0,0|2,0,0]=3 163 B9R0.53 CC(C)NC(C)CS(C)=O Amb28434480 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.53 CC(C)OC(=O)CC(=O)O Amb25887628 [1,0,0,0,0,0|2,0,1]=4 165 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,0,0,0,0,0|2,0,1]=4 166 B9R0.53 CC(CC(=O)O)CN(C)C Amb27948144 [1,0,0,0,0,0|1,0,0]=2 167 B9R0.53 CC(CC(=O)O)CN(C)C Amb32680754 [1,0,0,0,0,0|1,0,0]=2 168 B9R0.53 CC(CC(=O)O)NN(C)C Amb28317947 [1,0,0,0,0,0|2,0,0]=3 169 B9R0.53 CC(CN(C)C)NC(=O)Cl Amb35625559 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.53 CC(CN(C)C)OC(N)=O Amb28383868 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.53 CC(C[C@H](C)O)C[C@@H](C)O Amb28453488 [1,0,0,0,0,0|2,0,1]=4 172 B9R0.53 CC(Cl)CC(Cl)CC(=O)O Amb28436914 [1,0,0,0,0,0|2,0,0]=3 173 B9R0.53 CC(O)CC(C)NC(N)=O Amb27227923 [1,0,0,0,0,0|3,0,0]=4 174 B9R0.53 CN(C)CC(O)CC(=O)O Amb4477325 [1,0,0,0,0,0|2,0,0]=3 175 B9R0.53 CN(C)C[C@H](O)CC(=O)O Amb10069803 [1,0,0,0,0,0|2,0,0]=3 176 B9R0.53 CS(=O)C[C@H](N)CC(=O)O Amb27776743 [1,0,0,0,0,0|2,0,0]=3 177 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,0,0,0,0,0|2,0,1]=4 178 B9R0.53 C[C@@H](O)CN(C)CC(N)=O Amb27979416 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.53 C[C@H](CN(C)C)OC(N)=O Amb27475764 [1,0,0,0,0,0|3,0,0]=4 180 B9R0.53 C\C(=C\C(=O)O)CC(C)C Amb26947874 [1,0,0,0,0,0|0,0,2]=3 181 B9R0.53 C\C(=C\C(C)C)CC(=O)O Amb27784871 [1,0,0,0,0,0|0,0,2]=3 182 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,0,0,0,0,0|2,0,1]=4 183 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,0,0,0,0,0|2,0,1]=4 184 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,0|2,0,1]=4 185 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,0,0,0,0,0|2,0,1]=4 186 B11R0.32 CC(=O)C(CC(=O)O)NC(C)C Amb18610978 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.32 CC(=O)N(CC(=O)O)CC(C)C Amb17400383 [0,1,0,0,0,0|2,0,1]=4 188 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(N)=O Amb4006834 [0,1,0,0,0,0|2,0,1]=4 189 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O Amb33072394 [0,1,0,0,0,0|1,0,1]=3 190 B11R0.35 CC(C)CC(CC(=O)O)NC=O Amb33255440 [0,1,0,0,0,0|1,0,1]=3 191 B11R0.91 CCC(CC(=O)O)CC(=O)OC Amb33474984 [0,1,0,0,0,0|2,0,1]=4 192 B11R0.91 COC(=O)CC(CF)CC(=O)O Amb33474631 [0,1,0,0,0,0|2,0,1]=4 193 B11R0.91 COC(=O)CC(CN)CC(C)C Amb22640992 [0,1,0,0,0,0|0,0,0]=1 194 B11R0.91 COC(=O)CC(CN)CC(C)C Amb32666315 [0,1,0,0,0,0|0,0,0]=1 195 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C Amb17619512 [0,1,0,0,0,0|0,0,0]=1 196 B11R0.91 COC(=O)C[C@@H](CN)CC(C)C Amb32661607 [0,1,0,0,0,0|0,0,0]=1 197 B11R0.91 COC(C)CC(CBr)CC(C)C Amb32689264 [0,1,0,0,0,0|2,0,1]=4 198 B11R0.91 COC(C)CC(CCl)CC(C)C Amb32689257 [0,1,0,0,0,0|2,0,1]=4 199 B11R0.144 CCN(CC(=O)O)C(=O)C(C)C Amb17400381 [0,1,0,0,0,0|2,0,1]=4 200 B11R0.210 CC(=O)NC(C)(CN)CC(=O)O Amb33255160 [0,1,0,0,0,0|2,0,1]=4 201 B11R0.210 CC(C)CC(O)(CN)CC(=O)O Amb33346946 [0,1,0,0,0,0|0,0,0]=1 202 B11R0.274 CC(C)(C)CC(CN)CC(=O)O Amb33475367 [0,1,0,0,0,0|0,0,0]=1 203 B11R0.274 CC(C)CC(CN)CC(F)(F)F Amb18823329 [0,1,0,0,0,0|2,0,1]=4 204 B11R0.274 CC(C)C[C@H](CN)CC(F)(F)F Amb32682397 [0,1,0,0,0,0|2,0,1]=4 205 B11R0.274 CCC(CC(=O)O)CC(F)(F)F Amb18266891 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.10 CC1(C)CC(=O)CC(C=O)C1 Amb27823399 [0,0,0,1,0,0|2,0,1]=4 207 B11R1.10 CC1(C)OC(=O)C=C(CN)O1 Amb27865555 [0,0,0,1,0,0|1,0,2]=4 208 B11R1.10 CN1CC(CN)CC(C)(C)C1 Amb32419170 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.49 C=CC1CC(=O)OC1C(C)O Amb27769655 [0,0,0,1,0,0|2,0,1]=4 210 B11R1.49 C=CC1CS(=O)OC1C(C)C Amb26457900 [0,0,0,1,0,0|2,0,1]=4 211 B11R1.49 C=CC1OC(=O)OC1C(C)C Amb28076786 [0,0,0,1,0,0|2,0,1]=4 212 B11R1.49 CC(=O)N1C[C@@H](F)C[C@H]1CN Amb28058038 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.49 CC(=O)N1C[C@H](F)C[C@H]1CN Amb27784517 [0,0,0,1,0,0|3,0,0]=4 214 B11R1.49 CC(C)C1CC(=O)NC1CO Amb27176615 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.49 CC(C)C1NC(=O)NC1CO Amb27633281 [0,0,0,1,0,0|3,0,0]=4 216 B11R1.49 CC(C)C1NC(=O)OC1CO Amb27864123 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.49 CC(C)C1OC(=O)NC1C#N Amb28047276 [0,0,0,1,0,0|1,0,2]=4 218 B11R1.49 CC(C)C1OC(=O)NC1CCl Amb27176632 [0,0,0,1,0,0|2,0,0]=3 219 B11R1.49 CC(C)[C@@H]1CC(=O)O[C@@H]1CO Amb25246551 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.49 CC(C)[C@@H]1CC(=O)O[C@H]1CO Amb27431369 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.49 CC(C)[C@@H]1NC(=O)O[C@H]1CO Amb27494534 [0,0,0,1,0,0|3,0,0]=4 222 B11R1.49 CC(C)[C@H]1CC(=O)N[C@@H]1CO Amb27847509 [0,0,0,1,0,0|3,0,0]=4 223 B11R1.49 CC(C)[C@H]1CC(=O)O[C@@H]1CO Amb26545663 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.49 CCC1CC(=O)CC1C(=O)O Amb27657710 [0,0,0,1,0,0|2,0,1]=4 225 B11R1.49 CCC1CC(C)CN1C(=O)Cl Amb28319202 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.49 CCC1CC(C)CN1C(N)=O Amb27395521 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.49 CC[C@@H]1OC(=O)N[C@H]1C(C)C Amb27775512 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.49 CC[C@H]1CC(=O)C[C@H]1C(=O)O Amb28144970 [0,0,0,1,0,0|2,0,1]=4 229 B11R1.49 CC[C@H]1OC(=O)N[C@H]1C(C)C Amb25955151 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.49 COC1CN(C)CC1C(=O)O Amb35592453 [0,0,0,1,0,0|3,0,0]=4 231 B11R1.49 CO[C@@H]1CC(=O)O[C@H]1[C@@H](C)O Amb27432049 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.49 CO[C@H]1CC(=O)O[C@H]1[C@H](C)O Amb27491453 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.61 COC1C(C(=O)O)C1C(C)C Amb25775086 [0,0,0,1,0,0|2,0,0]=3 234 B11R1.61 CO[C@@H]1[C@@H](C(=O)O)[C@@H]1C(C)C Amb25179292 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.157 CC(=O)CC1CC(C)CCN1 Amb25746124 [0,0,0,1,0,0|3,0,0]=4 236 B11R1.157 CC(=O)CC1CCCC(C)N1 Amb25100933 [0,0,0,1,0,0|3,0,0]=4 237 B11R1.157 CC(=O)CC1CCCC(N)C1 Amb24685265 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.157 CC(=O)CC1COCC(C)N1 Amb24340416 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.157 CC(=O)CN1CCCC(C)C1 Amb8427992 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](C)O1 Amb27427875 [0,0,0,1,0,0|3,0,0]=4 241 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](C)N1 Amb27967295 [0,0,0,1,0,0|3,0,0]=4 242 B11R1.157 CC(=O)OC1CCCC(C)C1 Amb27659422 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.157 CC(C)CC1=CC(=O)OCC1 Amb25675122 [0,0,0,1,0,0|1,0,2]=4 244 B11R1.157 CC(C)CC1CC=CC(=O)O1 Amb27172421 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.157 CC(C)CC1CCCC(=O)C1 Amb24485995 [0,0,0,1,0,0|2,0,0]=3 246 B11R1.157 CC(C)CC1CCCC(O)C1 Amb28401197 [0,0,0,1,0,0|2,0,1]=4 247 B11R1.157 CC(C)CC1CCNC(=O)N1 Amb26040192 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.157 CC(C)CC1CNCC(=O)N1 Amb27154867 [0,0,0,1,0,0|2,0,0]=3 249 B11R1.157 CC(C)CC1CNCC(C)C1 Amb27162819 [0,0,0,1,0,0|2,0,1]=4 250 B11R1.157 CC(C)CC1CNCC(N)C1 Amb33500982 [0,0,0,1,0,0|2,0,1]=4 251 B11R1.157 CC(C)CC1COCC(=O)N1 Amb26325350 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.157 CC(C)C[C@@H]1CCC[C@H](O)C1 Amb28344941 [0,0,0,1,0,0|2,0,1]=4 253 B11R1.157 CC(C)C[C@@H]1CNCC(=O)N1 Amb26947388 [0,0,0,1,0,0|2,0,0]=3 254 B11R1.157 CC(C)C[C@H]1CNCC(=O)N1 Amb25865507 [0,0,0,1,0,0|2,0,0]=3 255 B11R1.157 CC(C)C[C@H]1COCC(=O)N1 Amb28131501 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.157 CC(N)CC1CCNC(=O)C1 Amb27762945 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.157 CC(O)CC1CCCC(C)C1 Amb27780208 [0,0,0,1,0,0|2,0,1]=4 258 B11R1.157 CC(O)CN1CCOC(=O)C1 Amb27208725 [0,0,0,1,0,0|3,0,0]=4 259 B11R1.157 CC1=C[C@H](CC(=O)O)CCC1 Amb27823732 [0,0,0,1,0,0|1,0,2]=4 260 B11R1.157 CC1CC(CC(=O)O)CCN1 Amb8387924 [0,0,0,1,0,0|2,0,0]=3 261 B11R1.157 CC1CC(CC(=O)O)CCO1 Amb27865036 [0,0,0,1,0,0|2,0,0]=3 262 B11R1.157 CC1CC=CC(CC(=O)O)C1 Amb18125730 [0,0,0,1,0,0|1,0,1]=3 263 B11R1.157 CC1CCCC(CB(O)O)C1 Amb27222527 [0,0,0,1,0,0|2,0,1]=4 264 B11R1.157 CC1CCCC(CC(=O)O)C1 Amb6749251 [0,0,0,1,0,0|1,0,0]=2 265 B11R1.157 CC1CCCC(CC(=O)O)N1 Amb8387931 [0,0,0,1,0,0|2,0,0]=3 266 B11R1.157 CC1CCCC(CC(=O)O)O1 Amb18126127 [0,0,0,1,0,0|2,0,0]=3 267 B11R1.157 CC1CCCC(CC(N)=S)C1 Amb27451234 [0,0,0,1,0,0|2,1,0]=4 268 B11R1.157 CC1CCCC(NC(=O)Cl)C1 Amb35625665 [0,0,0,1,0,0|3,0,0]=4 269 B11R1.157 CC1CCCC(NC(N)=O)C1 Amb8953408 [0,0,0,1,0,0|3,0,0]=4 270 B11R1.157 CC1CCCC(OC(=O)Cl)C1 Amb26372242 [0,0,0,1,0,0|3,0,0]=4 271 B11R1.157 CC1CCCN(CC(=O)Cl)C1 Amb17142953 [0,0,0,1,0,0|3,0,0]=4 272 B11R1.157 CC1CCCN(CC(=O)O)C1 Amb2721846 [0,0,0,1,0,0|2,0,0]=3 273 B11R1.157 CC1CCCN(CC(N)=O)C1 Amb10671448 [0,0,0,1,0,0|3,0,0]=4 274 B11R1.157 CC1CCC\C(=C\C(=O)O)C1 Amb33189155 [0,0,0,1,0,0|1,0,2]=4 275 B11R1.157 CC1CCNC(CC(=O)O)C1 Amb8387930 [0,0,0,1,0,0|2,0,0]=3 276 B11R1.157 CC1CCNC(CC(N)=O)C1 Amb28051754 [0,0,0,1,0,0|3,0,0]=4 277 B11R1.157 CC1CNCC(CC(=O)O)C1 Amb28652860 [0,0,0,1,0,0|0,0,0]=1 278 B11R1.157 CC1CNCC(CC(=O)O)C1 Amb8387927 [0,0,0,1,0,0|0,0,0]=1 279 B11R1.157 CC1CNCC(NC(N)=O)C1 Amb27951115 [0,0,0,1,0,0|2,0,0]=3 280 B11R1.157 CN(C)CC1CCCC(=O)C1 Amb26041263 [0,0,0,1,0,0|3,0,0]=4 281 B11R1.157 CN(C)CC1CCCC(=O)C1 Amb33328734 [0,0,0,1,0,0|3,0,0]=4 282 B11R1.157 CN1CCCC(CC(=O)O)C1 Amb13885805 [0,0,0,1,0,0|2,0,0]=3 283 B11R1.157 CN1CCCC(CC(=O)O)C1 Amb34914084 [0,0,0,1,0,0|2,0,0]=3 284 B11R1.157 CN1CCCC(CC(N)=O)C1 Amb27485694 [0,0,0,1,0,0|3,0,0]=4 285 B11R1.157 CN1CCNC(CC(=O)O)C1 Amb18830480 [0,0,0,1,0,0|3,0,0]=4 286 B11R1.157 CN1CCOC(CC(=O)O)C1 Amb18061928 [0,0,0,1,0,0|3,0,0]=4 287 B11R1.157 C[C@@H]1CCC[C@H](CC(=O)O)O1 Amb27657703 [0,0,0,1,0,0|2,0,0]=3 288 B11R1.157 NC(=O)CC1CCCC(N)C1 Amb18964224 [0,0,0,1,0,0|3,0,0]=4 289 B11R1.157 O=C(O)CC1CCCC(=O)C1 Amb8487121 [0,0,0,1,0,0|2,0,1]=4 290 B11R1.157 O=C(O)CC1CCCC(F)C1 Amb24651233 [0,0,0,1,0,0|2,0,0]=3 291 B11R1.157 O=C(O)CC1CCCC(O)C1 Amb18645020 [0,0,0,1,0,0|2,0,0]=3 292 B11R1.157 O=C(O)CC1CNCC(=O)N1 Amb25800398 [0,0,0,1,0,0|2,0,1]=4 293 B11R1.157 O=C(O)CN1CCCC(F)C1 Amb30028543 [0,0,0,1,0,0|3,0,0]=4 294 B11R1.157 O=C(O)CN1CCCC(O)C1 Amb15701257 [0,0,0,1,0,0|3,0,0]=4 295 B11R1.157 O=C(O)CN1CCC[C@@H](O)C1 Amb22224754 [0,0,0,1,0,0|3,0,0]=4 296 B11R1.157 O=C(O)CN1CCC[C@H](O)C1 Amb22224789 [0,0,0,1,0,0|3,0,0]=4 297 B11R1.157 O=C(O)C[C@@H]1CCC[C@@H](F)C1 Amb34912969 [0,0,0,1,0,0|2,0,0]=3 298 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 Amb28289879 [0,0,0,1,0,0|2,0,1]=4 299 B11R1.157 O=C(O)C[C@H]1CCC[C@@H](F)C1 Amb34912973 [0,0,0,1,0,0|2,0,0]=3 300 B11R1.414 C=C(C)CC1(CBr)CC(C)C1 Amb32689661 [0,0,0,1,0,0|3,0,0]=4 301 B11R1.414 C=C(C)CC1(CCl)CC(C)C1 Amb32689660 [0,0,0,1,0,0|3,0,0]=4 302 B11R1.414 C=C(Cl)CC1(CBr)CC(C)C1 Amb32689766 [0,0,0,1,0,0|3,0,0]=4 303 B11R1.414 C=C(Cl)CC1(CCl)CC(C)C1 Amb32689765 [0,0,0,1,0,0|3,0,0]=4 304 B11R1.414 CC(C)CC1(C#N)CC(=O)C1 Amb33374131 [0,0,0,1,0,0|1,0,2]=4 305 B11R1.414 CC(C)CC1(CN)CC(C)C1 Amb23449210 [0,0,0,1,0,0|2,0,1]=4 306 B11R1.414 CC(C)CC1(CN)CC(O)C1 Amb33374133 [0,0,0,1,0,0|1,0,1]=3 307 B11R1.414 CC(C)CC1(CO)CC(=O)N1 Amb27666014 [0,0,0,1,0,0|2,0,0]=3 308 B11R1.414 CC1CC(CN)(CC(=O)O)C1 Amb28118878 [0,0,0,1,0,0|0,0,0]=1 309 B11R1.414 CC1CC(CN)(CC(F)F)C1 Amb35658507 [0,0,0,1,0,0|2,0,1]=4 310 B11R1.414 CNC1(CC(=O)O)CC(C)C1 Amb27214545 [0,0,0,1,0,0|2,0,0]=3 311 B11R1.414 CNC1(CC(N)=O)CC(C)C1 Amb27168010 [0,0,0,1,0,0|3,0,0]=4 312 B11R1.518 C=C(C)CC1C(C)C1C(=O)O Amb27845512 [0,0,0,1,0,0|1,0,2]=4 313 B11R1.518 C=C(C)C[C@H]1C(C)[C@@H]1C(=O)O Amb27880588 [0,0,0,1,0,0|1,0,2]=4 314 B11R1.518 CC(C)=C[C@@H]1[C@H](C)[C@@H]1C(=O)O Amb27238005 [0,0,0,1,0,0|1,0,2]=4 315 B11R1.518 CC(C)=C[C@H]1[C@H](C)[C@H]1C(=O)O Amb24711211 [0,0,0,1,0,0|1,0,2]=4 316 B11R1.518 CC(C)CC1C(C)C1C(=O)O Amb27393056 [0,0,0,1,0,0|1,0,0]=2 317 B11R1.518 CC(C)C[C@H]1[C@@H](C)[C@H]1C(=O)O Amb28060580 [0,0,0,1,0,0|1,0,0]=2 318 B11R1.645 CC(C)CC1CC(=O)NC1=O Amb28201221 [0,0,0,1,0,0|2,0,1]=4 319 B11R1.645 CC(C)CC1CC(=O)OC1=O Amb27641108 [0,0,0,1,0,0|1,0,1]=3 320 B11R1.645 CC(C)CC1NC(=O)CC1N Amb27969223 [0,0,0,1,0,0|2,0,0]=3 321 B11R1.645 CC(C)CC1NC(=O)CC1O Amb28074131 [0,0,0,1,0,0|3,0,0]=4 322 B11R1.645 CC(C)CC1NC(=O)OC1=O Amb22388625 [0,0,0,1,0,0|2,0,1]=4 323 B11R1.645 CC(C)CC1OC(=O)CC1O Amb27662360 [0,0,0,1,0,0|3,0,0]=4 324 B11R1.645 CC(C)CC1OC(=O)N=C1N Amb27591665 [0,0,0,1,0,0|2,0,1]=4 325 B11R1.645 CC(C)C[C@@H]1NC(=O)C[C@@H]1O Amb28435699 [0,0,0,1,0,0|3,0,0]=4 326 B11R1.645 CC(C)C[C@@H]1NC(=O)N[C@@H]1C Amb27777282 [0,0,0,1,0,0|3,0,0]=4 327 B11R1.645 CC(C)C[C@@H]1NC(=O)N[C@H]1C Amb28422287 [0,0,0,1,0,0|3,0,0]=4 328 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O Amb2688911 [0,0,0,1,0,0|2,0,1]=4 329 B11R1.645 CC(C)C[C@@H]1OC(=O)C[C@@H]1O Amb27969834 [0,0,0,1,0,0|3,0,0]=4 330 B11R1.645 CC(C)C[C@H]1NC(=O)C[C@@H]1O Amb27435434 [0,0,0,1,0,0|3,0,0]=4 331 B11R1.645 CC1=CC(C)C(CC(=O)O)C1 Amb18125745 [0,0,0,1,0,0|1,0,2]=4 332 B11R1.645 CC1CC(=O)N(CC(=O)O)C1 Amb25133450 [0,0,0,1,0,0|2,0,1]=4 333 B11R1.645 CC1CC(C)N(CC(N)=O)C1 Amb28073908 [0,0,0,1,0,0|3,0,0]=4 334 B11R1.645 CC1CC(CC(=O)O)C(=O)S1 Amb28290349 [0,0,0,1,0,0|2,0,1]=4 335 B11R1.645 CC1CC(CC(=O)O)C(C)O1 Amb28249579 [0,0,0,1,0,0|2,0,0]=3 336 B11R1.645 CC1CC(O)CN1CC(=O)O Amb27483321 [0,0,0,1,0,0|3,0,0]=4 337 B11R1.645 CC1CN(C)CC1CC(=O)O Amb27645490 [0,0,0,1,0,0|2,0,0]=3 338 B11R1.645 CN1CC(=O)C(CC(=O)O)C1 Amb18200022 [0,0,0,1,0,0|2,0,1]=4 339 B11R1.645 CN1CC(N)C(CC(=O)O)C1 Amb18199902 [0,0,0,1,0,0|1,0,0]=2 340 B11R1.645 CN1CC(O)C(CC(=O)O)C1 Amb18199871 [0,0,0,1,0,0|2,0,0]=3 341 B11R1.708 CC(=O)C1CCC1CC(=O)O Amb25918239 [0,0,0,1,0,0|2,0,1]=4 342 B11R1.708 CC(C)CC1CCC1C(=O)O Amb27451597 [0,0,0,1,0,0|1,0,0]=2 343 B11R1.708 CC(C)CN1CCC1C(=O)O Amb27876345 [0,0,0,1,0,0|2,0,0]=3 344 B11R1.708 CC(C)N1CCC1CC(=O)O Amb27964332 [0,0,0,1,0,0|2,0,0]=3 345 B11R1.708 CC(C)NC1CCC1C(=O)O Amb27601084 [0,0,0,1,0,0|2,0,0]=3 346 B11R1.708 O=C(O)C1CCC1CC(F)F Amb28246460 [0,0,0,1,0,0|3,0,0]=4 347 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,0,0|2,0,1]=4 348 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,0,0|2,0,1]=4 349 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,0,0|2,0,1]=4 350 B11R1.710 CC(=O)CC1CCC(C)(C)C1 Amb33360818 [0,0,0,1,0,0|2,0,0]=3 351 B11R1.710 CC(=O)CC1COC(C)(C)O1 Amb26491731 [0,0,0,1,0,0|3,0,0]=4 352 B11R1.710 CC(O)CC1CCC(C)(C)C1 Amb33224898 [0,0,0,1,0,0|2,0,1]=4 353 B11R1.710 CC1(C)CC(CC(=O)O)CN1 Amb28251327 [0,0,0,1,0,0|0,0,0]=1 354 B11R1.710 CC1(C)CC(CC(=O)O)CO1 Amb27468095 [0,0,0,1,0,0|1,0,0]=2 355 B11R1.710 CC1(C)CC(CC(=O)O)CS1 Amb18825220 [0,0,0,1,0,0|1,0,0]=2 356 B11R1.710 CC1(C)CC(NC(=O)Cl)CO1 Amb35636887 [0,0,0,1,0,0|3,0,0]=4 357 B11R1.710 CC1(C)CC=C(CC(=O)O)C1 Amb27984865 [0,0,0,1,0,0|1,0,2]=4 358 B11R1.710 CC1(C)CCC(CC(=N)N)C1 Amb33204165 [0,0,0,1,0,0|3,0,0]=4 359 B11R1.710 CC1(C)CCC(CC(=O)O)C1 Amb27669517 [0,0,0,1,0,0|1,0,0]=2 360 B11R1.710 CC1(C)CCC(CC(N)=S)C1 Amb33204168 [0,0,0,1,0,0|2,1,0]=4 361 B11R1.710 CC1(C)CCC(C[N+](=O)[O-])C1 Amb33360160 [0,0,0,1,0,0|2,0,1]=4 362 B11R1.710 CC1(C)CCC(NC(=O)Cl)C1 Amb35633316 [0,0,0,1,0,0|3,0,0]=4 363 B11R1.710 CC1(C)CCN(CC(=O)O)C1 Amb28313127 [0,0,0,1,0,0|2,0,0]=3 364 B11R1.710 CC1(C)CCN(CC(=O)O)C1 Amb28652971 [0,0,0,1,0,0|2,0,0]=3 365 B11R1.710 CC1(C)CC\C(=C\C(=O)O)C1 Amb33468661 [0,0,0,1,0,0|1,0,2]=4 366 B11R1.710 CC1(C)CNC(CC(=O)O)C1 Amb32834429 [0,0,0,1,0,0|2,0,0]=3 367 B11R1.710 CC1(C)CNC(CC(=O)O)C1 Amb33456407 [0,0,0,1,0,0|2,0,0]=3 368 B11R1.710 CC1(C)COC(CC(=O)O)C1 Amb32675272 [0,0,0,1,0,0|2,0,0]=3 369 B11R1.710 CC1(C)C\C(=C\C(=O)O)CO1 Amb33468668 [0,0,0,1,0,0|1,0,2]=4 370 B11R1.710 CC1(C)OCC(CC(=O)O)O1 Amb25680035 [0,0,0,1,0,0|2,0,0]=3 371 B11R1.710 CC1(C)OC[C@H](CC(N)=O)O1 Amb8390938 [0,0,0,1,0,0|3,0,0]=4 372 B11R1.710 CC1(F)CCC(CC(=O)O)C1 Amb27872732 [0,0,0,1,0,0|2,0,0]=3 373 B11R1.710 CC1(N)CCN(CC(=O)O)C1 Amb35580604 [0,0,0,1,0,0|3,0,0]=4 374 B11R1.710 CC1(O)CCN(CC(=O)O)C1 Amb26051946 [0,0,0,1,0,0|3,0,0]=4 375 B11R1.710 CN(O)CC1CCC(C)(C)C1 Amb33360794 [0,0,0,1,0,0|3,0,0]=4 376 B11R1.710 C[C@@H](O)CC1CCC(C)(C)C1 Amb33360178 [0,0,0,1,0,0|2,0,1]=4 377 B11R1.710 C[C@H](O)CC1CCC(C)(C)C1 Amb33224884 [0,0,0,1,0,0|2,0,1]=4 378 B11R1.710 C[Si]1(C)CCC(CC(=O)O)C1 Amb29837978 [0,0,0,1,0,0|1,1,0]=3 379 B11R1.710 O=C(O)CC1CCC(F)(F)C1 Amb26858554 [0,0,0,1,0,0|3,0,0]=4 380 B11R1.750 C=C(C)CC(NN)C1CC1C Amb27988575 [0,0,0,1,0,0|3,0,0]=4 381 B11R1.750 CC1CC1C(CN)CC(=O)O Amb33145044 [0,0,0,1,0,0|0,0,0]=1 382 B11R1.933 CC(C)CC1(CC(=O)O)CC1 Amb18830741 [0,0,0,1,0,0|1,0,0]=2 383 B11R1.933 CC(C)NC1(CC(=O)O)CC1 Amb27673136 [0,0,0,1,0,0|2,0,0]=3 384 B11R1.933 CC(C)NC1(CC(N)=O)CC1 Amb27674346 [0,0,0,1,0,0|3,0,0]=4 385 B11R1.933 CS(=O)CC1(CC(=O)O)CC1 Amb27986450 [0,0,0,1,0,0|3,0,0]=4 386 B11R1.955 CC(=O)[C@@H]1[C@H](C#N)CC1(C)C Amb25858292 [0,0,0,1,0,0|1,0,2]=4 387 B11R1.955 CC(=O)[C@H]1[C@H](C#N)CC1(C)C Amb27420183 [0,0,0,1,0,0|1,0,2]=4 388 B11R1.955 CCN1CC(C)(C)C1C(=O)O Amb27241521 [0,0,0,1,0,0|2,0,0]=3 389 B11R1.955 CN(C)C1C(CN)CC1(C)C Amb26946568 [0,0,0,1,0,0|3,0,0]=4 390 B11R1.983 CCC1CC(=O)NCC(C)N1 Amb27794738 [0,0,0,1,0,0|3,0,0]=4 391 B11R1.1032 CC(=O)NC(CO)CC1CC1 Amb27270357 [0,0,0,1,0,0|3,0,0]=4 392 B11R1.1032 NC(=O)NC(CO)CC1CC1 Amb27271881 [0,0,0,1,0,0|3,0,0]=4 393 B11R1.1032 NCC(CC(=O)O)CC1CC1 Amb32954882 [0,0,0,1,0,0|0,0,0]=1 394 B11R1.1069 C=C(C)CC1(CBr)CC1(C)C Amb32689662 [0,0,0,1,0,0|3,0,0]=4 395 B11R1.1069 C=C(C)CC1(CCl)CC1(C)C Amb32689692 [0,0,0,1,0,0|3,0,0]=4 396 B11R1.1069 C=C(Cl)CC1(CBr)CC1(C)C Amb32689768 [0,0,0,1,0,0|3,0,0]=4 397 B11R1.1069 C=C(Cl)CC1(CCl)CC1(C)C Amb32689771 [0,0,0,1,0,0|3,0,0]=4 398 B11R1.1069 CC(C)CC1(CN)CC1(C)C Amb33358506 [0,0,0,1,0,0|2,0,1]=4 399 B11R1.1069 CC(C)CC1(CN)CC1(F)F Amb33399684 [0,0,0,1,0,0|2,0,1]=4 400 B11R1.1069 CCC1(CC(=O)O)CC1(C)C Amb27970238 [0,0,0,1,0,0|1,0,0]=2 401 B9R0.39 C#CC(CC(=O)O)C(C)C Amb27408324 [0,0,0,0,1,0|1,0,1]=3 402 B9R0.39 C#C[C@@H](CC(=O)O)C(C)C Amb27977044 [0,0,0,0,1,0|1,0,1]=3 403 B9R0.39 C#C[C@H](CC(=O)O)C(C)C Amb27253902 [0,0,0,0,1,0|1,0,1]=3 404 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [0,0,0,0,1,0|1,0,2]=4 405 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [0,0,0,0,1,0|0,0,2]=3 406 B9R0.39 C=C(C)CC(CBr)C(C)C Amb32689614 [0,0,0,0,1,0|3,0,0]=4 407 B9R0.39 C=C(C)CC(CCl)C(C)C Amb32689645 [0,0,0,0,1,0|3,0,0]=4 408 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [0,0,0,0,1,0|1,0,2]=4 409 B9R0.39 C=C(Cl)CC(CBr)C(C)C Amb32689665 [0,0,0,0,1,0|3,0,0]=4 410 B9R0.39 C=C(Cl)CC(CCl)C(C)C Amb32689725 [0,0,0,0,1,0|3,0,0]=4 411 B9R0.39 C=CC(CC(=O)O)C(C)C Amb18643903 [0,0,0,0,1,0|1,0,1]=3 412 B9R0.39 C=CC(SC(C)C)C(=O)O Amb28123807 [0,0,0,0,1,0|2,0,1]=4 413 B9R0.39 C=C[C@@H](CC(=O)O)C(C)C Amb27881786 [0,0,0,0,1,0|1,0,1]=3 414 B9R0.39 C=C[C@H](CC(=O)O)C(C)C Amb27962891 [0,0,0,0,1,0|1,0,1]=3 415 B9R0.39 CC(=O)CC(C#N)C(C)C Amb25871529 [0,0,0,0,1,0|1,0,2]=4 416 B9R0.39 CC(=O)CC(C=O)C(C)C Amb27838017 [0,0,0,0,1,0|2,0,1]=4 417 B9R0.39 CC(=O)NC(CBr)C(C)C Amb27162063 [0,0,0,0,1,0|3,0,0]=4 418 B9R0.39 CC(=O)NC(CCl)C(C)C Amb27614887 [0,0,0,0,1,0|3,0,0]=4 419 B9R0.39 CC(=O)NC(CI)C(C)C Amb27803581 [0,0,0,0,1,0|3,0,0]=4 420 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [0,0,0,0,1,0|2,0,1]=4 421 B9R0.39 CC(=O)NC(CO)C(C)C Amb17102545 [0,0,0,0,1,0|3,0,0]=4 422 B9R0.39 CC(=O)OC(CCl)C(C)C Amb27815071 [0,0,0,0,1,0|3,0,0]=4 423 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [0,0,0,0,1,0|2,0,1]=4 424 B9R0.39 CC(C)C(C#N)CC(=O)O Amb25818234 [0,0,0,0,1,0|0,0,2]=3 425 B9R0.39 CC(C)C(CN)CC(=O)O Amb26910759 [0,0,0,0,1,0|0,0,0]=1 426 B9R0.39 CC(C)C(CN)CN(C)C Amb28345147 [0,0,0,0,1,0|3,0,0]=4 427 B9R0.39 CC(C)CC(C#N)C(=O)O Amb23558965 [0,0,0,0,1,0|0,0,2]=3 428 B9R0.39 CC(C)CC(C#N)C(N)=O Amb27229152 [0,0,0,0,1,0|1,0,2]=4 429 B9R0.39 CC(C)CC(CN)C(=O)O Amb19021764 [0,0,0,0,1,0|0,0,0]=1 430 B9R0.39 CC(C)CC(CN)C(=O)O Amb28555451 [0,0,0,0,1,0|0,0,0]=1 431 B9R0.39 CC(C)CC(CN)C(F)F Amb33437153 [0,0,0,0,1,0|2,0,1]=4 432 B9R0.39 CC(C)CC(CN)N(C)C Amb532242 [0,0,0,0,1,0|3,0,0]=4 433 B9R0.39 CC(C)CC(CO)C(=O)O Amb18124780 [0,0,0,0,1,0|1,0,0]=2 434 B9R0.39 CC(C)CC(N=O)C(=O)O Amb27461396 [0,0,0,0,1,0|2,0,0]=3 435 B9R0.39 CC(C)CC(NCl)C(=O)O Amb27401848 [0,0,0,0,1,0|2,0,0]=3 436 B9R0.39 CC(C)CC(ON)C(=O)O Amb18644321 [0,0,0,0,1,0|1,0,0]=2 437 B9R0.39 CC(C)CC(ON)C(=O)O Amb33484371 [0,0,0,0,1,0|1,0,0]=2 438 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756732 [0,0,0,0,1,0|0,0,0]=1 439 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Amb22756740 [0,0,0,0,1,0|0,0,0]=1 440 B9R0.39 CC(C)C[C@@H](NN)C(=O)O Amb27424998 [0,0,0,0,1,0|1,0,0]=2 441 B9R0.39 CC(C)C[C@@H](ON)C(=O)O Amb27975779 [0,0,0,0,1,0|1,0,0]=2 442 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb26390781 [0,0,0,0,1,0|0,0,0]=1 443 B9R0.39 CC(C)C[C@H](CN)C(=O)O Amb32620226 [0,0,0,0,1,0|0,0,0]=1 444 B9R0.39 CC(C)C[C@H](NN)C(=O)O Amb27488207 [0,0,0,0,1,0|1,0,0]=2 445 B9R0.39 CC(C)C[C@H](NN)C(N)=O Amb27604368 [0,0,0,0,1,0|2,0,0]=3 446 B9R0.39 CC(C)N(C#N)CC(=O)O Amb35634517 [0,0,0,0,1,0|1,0,2]=4 447 B9R0.39 CC(C)NC(CN)C(=O)O Amb28291039 [0,0,0,0,1,0|1,0,0]=2 448 B9R0.39 CC(C)NC(CO)C(=O)O Amb26046487 [0,0,0,0,1,0|2,0,0]=3 449 B9R0.39 CC(C)NC(CO)C(N)=O Amb27838044 [0,0,0,0,1,0|3,0,0]=4 450 B9R0.39 CC(C)NC(CS)C(=O)O Amb27233014 [0,0,0,0,1,0|2,0,0]=3 451 B9R0.39 CC(C)N[C@@H](CS)C(=O)O Amb25299344 [0,0,0,0,1,0|2,0,0]=3 452 B9R0.39 CC(C)S[C@@H](CN)C(=O)O Amb27444140 [0,0,0,0,1,0|1,0,0]=2 453 B9R0.39 CC(C)[C@@H](C#N)CC(=O)O Amb27473398 [0,0,0,0,1,0|0,0,2]=3 454 B9R0.39 CC(C)[C@H](C#N)CC(=O)O Amb28184580 [0,0,0,0,1,0|0,0,2]=3 455 B9R0.39 CC(C)[C@H](C=O)CC(=O)[O-] Amb27948625 [0,0,0,0,1,0|1,0,2]=4 456 B9R0.39 CC(C)[C@H](CO)C[C@@H](C)O Amb28126537 [0,0,0,0,1,0|2,0,1]=4 457 B9R0.39 CC(Cl)CC(CN)C(=O)O Amb28396430 [0,0,0,0,1,0|1,0,0]=2 458 B9R0.39 CC(N)NC(CS)C(=O)O Amb27792112 [0,0,0,0,1,0|3,0,0]=4 459 B9R0.39 CC(O)CC(C#N)C(=O)O Amb35741473 [0,0,0,0,1,0|1,0,2]=4 460 B9R0.39 CCC(CC(=O)O)C(C)C Amb33534084 [0,0,0,0,1,0|1,0,0]=2 461 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [0,0,0,0,1,0|2,0,0]=3 462 B9R0.39 CCC(CC(=O)O)C(F)F Amb33436479 [0,0,0,0,1,0|3,0,0]=4 463 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [0,0,0,0,1,0|2,0,1]=4 464 B9R0.39 CCC(CC(C)C)C(=O)O Amb19014184 [0,0,0,0,1,0|1,0,0]=2 465 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [0,0,0,0,1,0|2,0,0]=3 466 B9R0.39 CCC(CC(F)F)C(=O)O Amb25709926 [0,0,0,0,1,0|3,0,0]=4 467 B9R0.39 CCC(CC(N)=O)C(C)C Amb27806878 [0,0,0,0,1,0|2,0,0]=3 468 B9R0.39 CCC(NC(=O)Cl)C(C)C Amb35625855 [0,0,0,0,1,0|3,0,0]=4 469 B9R0.39 CCC(NC(C)C)C(=O)O Amb28555426 [0,0,0,0,1,0|2,0,0]=3 470 B9R0.39 CCC(NC(C)C)C(=O)O Amb9620437 [0,0,0,0,1,0|2,0,0]=3 471 B9R0.39 CCC(SC(C)C)C(=O)O Amb17501347 [0,0,0,0,1,0|2,0,0]=3 472 B9R0.39 CCC(SC(C)C)C(N)=O Amb18788099 [0,0,0,0,1,0|3,0,0]=4 473 B9R0.39 CCN(CC(C)=O)C(C)C Amb9661463 [0,0,0,0,1,0|3,0,0]=4 474 B9R0.39 CCN(CC(C)C)C(C)=O Amb27458275 [0,0,0,0,1,0|3,0,0]=4 475 B9R0.39 CCN(CC(C)C)C(N)=O Amb8901538 [0,0,0,0,1,0|3,0,0]=4 476 B9R0.39 CC[C@@H](CC(C)C)C(=O)O Amb28397993 [0,0,0,0,1,0|1,0,0]=2 477 B9R0.39 CC[C@H](CC(=O)O)C(C)C Amb25989910 [0,0,0,0,1,0|1,0,0]=2 478 B9R0.39 CC\C(=C/C(=O)O)C(C)C Amb18967765 [0,0,0,0,1,0|1,0,2]=4 479 B9R0.39 CC\C(=C/C(C)C)C(=O)O Amb18643946 [0,0,0,0,1,0|1,0,2]=4 480 B9R0.39 CN(C)C(CO)CC(=O)O Amb18202308 [0,0,0,0,1,0|2,0,0]=3 481 B9R0.39 CN(C)CC(C#N)C(=O)O Amb26639275 [0,0,0,0,1,0|1,0,2]=4 482 B9R0.39 CNC(CC(=O)O)C(C)C Amb27209417 [0,0,0,0,1,0|2,0,0]=3 483 B9R0.39 CNC(CC(C)C)C(=O)O Amb22274694 [0,0,0,0,1,0|2,0,0]=3 484 B9R0.39 CNC(CC(C)C)C(=O)O Amb9283589 [0,0,0,0,1,0|2,0,0]=3 485 B9R0.39 CNC(CC(C)C)C(N)=O Amb19006600 [0,0,0,0,1,0|3,0,0]=4 486 B9R0.39 CNC(CC(C)C)C(N)=O Amb32753443 [0,0,0,0,1,0|3,0,0]=4 487 B9R0.39 CNC(CN(C)C)C(=O)O Amb28388875 [0,0,0,0,1,0|3,0,0]=4 488 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb16183858 [0,0,0,0,1,0|2,0,0]=3 489 B9R0.39 CN[C@@H](CC(C)C)C(=O)O Amb2779901 [0,0,0,0,1,0|2,0,0]=3 490 B9R0.39 CN[C@@H](CC(C)C)C(N)=O Amb24550819 [0,0,0,0,1,0|3,0,0]=4 491 B9R0.39 CN[C@@H](CC(C)C)C(N)=O Amb32679561 [0,0,0,0,1,0|3,0,0]=4 492 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb10842218 [0,0,0,0,1,0|2,0,0]=3 493 B9R0.39 CN[C@H](CC(C)C)C(=O)O Amb22745995 [0,0,0,0,1,0|2,0,0]=3 494 B9R0.39 COC(CC(C)C)C(=O)O Amb26656466 [0,0,0,0,1,0|2,0,0]=3 495 B9R0.39 COC(CC(C)C)C(N)=O Amb27769639 [0,0,0,0,1,0|3,0,0]=4 496 B9R0.39 COC(CN(C)C)C(=O)O Amb27196900 [0,0,0,0,1,0|3,0,0]=4 497 B9R0.39 CO[C@@H](CC(C)C)C(=O)O Amb28126876 [0,0,0,0,1,0|2,0,0]=3 498 B9R0.39 CSC(CC(C)C)C(=O)O Amb27658945 [0,0,0,0,1,0|2,0,0]=3 499 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [0,0,0,0,1,0|2,0,1]=4 500 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [0,0,0,0,1,0|2,0,1]=4 501 B9R0.39 NCC(CC(=O)O)C(F)F Amb27192581 [0,0,0,0,1,0|2,0,0]=3 502 B9R0.39 NCC(CC(=O)O)C(F)F Amb28555657 [0,0,0,0,1,0|2,0,0]=3 503 B9R0.39 O=C(O)CC(CF)C(F)F Amb24513956 [0,0,0,0,1,0|3,0,0]=4 504 B11R0.143 CC(C)CC(CBr)CCS(C)=O Amb32688244 [0,0,0,0,0,1|3,0,0]=4 505 B11R0.143 CC(C)CC(CCl)CCS(C)=O Amb32688236 [0,0,0,0,0,1|3,0,0]=4 506 B11R0.143 CC(C)OCC(CN)CC(=O)O Amb33274849 [0,0,0,0,0,1|0,0,0]=1 507 B11R0.143 CCC(C#CC(=O)O)CC(C)C Amb24360704 [0,0,0,0,0,1|1,0,1]=3 508 B11R0.143 CN(C)CCC(CN)CC(=O)O Amb33272651 [0,0,0,0,0,1|1,0,0]=2 509 B8R0.5 C#CCC(N)CC(=O)O Amb26909337 [2,0,0,0,0,0|0,0,2]=4 510 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb22746284 [2,0,0,0,0,0|0,0,2]=4 511 B8R0.5 C#CC[C@@H](N)CC(=O)O Amb24539924 [2,0,0,0,0,0|0,0,2]=4 512 B8R0.5 C=C(C)CC(C)CCC Amb22730409 [2,0,0,0,0,0|2,0,0]=4 513 B8R0.5 C=CCC(C)CC(=O)O Amb18642628 [2,0,0,0,0,0|0,0,2]=4 514 B8R0.5 C=CCC(C)CC(C)C Amb25978924 [2,0,0,0,0,0|1,0,0]=3 515 B8R0.5 C=CCC(C)NC(C)C Amb4314313 [2,0,0,0,0,0|2,0,0]=4 516 B8R0.5 C=CCC(N)CC(=O)O Amb22641964 [2,0,0,0,0,0|0,0,2]=4 517 B8R0.5 C=CCC(N)CC(=O)O Amb31307622 [2,0,0,0,0,0|0,0,2]=4 518 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb22746166 [2,0,0,0,0,0|0,0,2]=4 519 B8R0.5 C=CC[C@@H](N)CC(=O)O Amb2699117 [2,0,0,0,0,0|0,0,2]=4 520 B8R0.5 C=CC[C@@H](N)CC(C)C Amb27655629 [2,0,0,0,0,0|1,0,0]=3 521 B8R0.5 C=CC[C@@H](O)CC(C)C Amb28205994 [2,0,0,0,0,0|2,0,0]=4 522 B8R0.5 C=CC[C@H](N)CC(=O)O Amb2699116 [2,0,0,0,0,0|0,0,2]=4 523 B8R0.5 C=CC[C@H](N)CC(=O)O Amb33726074 [2,0,0,0,0,0|0,0,2]=4 524 B8R0.5 C=CC[C@H](N)CC(C)C Amb27849934 [2,0,0,0,0,0|1,0,0]=3 525 B8R0.5 C=CC[C@H](N)C[C@H](C)O Amb27956639 [2,0,0,0,0,0|2,0,0]=4 526 B8R0.5 C=COC(C)CC(C)C Amb28239310 [2,0,0,0,0,0|2,0,0]=4 527 B8R0.5 CC(=O)CC(C)CC=O Amb28076874 [2,0,0,0,0,0|1,0,1]=4 528 B8R0.5 CC(=O)C[C@H](C)CC=O Amb27265839 [2,0,0,0,0,0|1,0,1]=4 529 B8R0.5 CC(C)CC(=O)CC=O Amb18642654 [2,0,0,0,0,0|1,0,1]=4 530 B8R0.5 CC(C)CC(C)CC=O Amb18642682 [2,0,0,0,0,0|0,0,0]=2 531 B8R0.5 CC(C)CC(C)CCBr Amb26456422 [2,0,0,0,0,0|1,0,1]=4 532 B8R0.5 CC(C)CC(C)CCCl Amb26988421 [2,0,0,0,0,0|1,0,1]=4 533 B8R0.5 CC(C)CC(C)CCN Amb25848784 [2,0,0,0,0,0|1,0,1]=4 534 B8R0.5 CC(C)CC(C)CCO Amb26460233 [2,0,0,0,0,0|0,0,1]=3 535 B8R0.5 CC(C)CC(C)CON Amb28076824 [2,0,0,0,0,0|2,0,0]=4 536 B8R0.5 CC(C)CC(C)N=C=O Amb27837435 [2,0,0,0,0,0|1,0,1]=4 537 B8R0.5 CC(C)CC(N)CCO Amb18203172 [2,0,0,0,0,0|0,0,1]=3 538 B8R0.5 CC(C)CC(O)CNO Amb28190438 [2,0,0,0,0,0|2,0,0]=4 539 B8R0.5 CC(C)CN(C)CCO Amb9248114 [2,0,0,0,0,0|1,0,1]=4 540 B8R0.5 CC(C)CS(=O)CC=O Amb27663438 [2,0,0,0,0,0|2,0,0]=4 541 B8R0.5 CC(C)C[C@@H](C)CCBr Amb27856715 [2,0,0,0,0,0|1,0,1]=4 542 B8R0.5 CC(C)C[C@H](N)CCN Amb26543915 [2,0,0,0,0,0|1,0,1]=4 543 B8R0.5 CC(C)C[C@H](N)CCO Amb24446600 [2,0,0,0,0,0|0,0,1]=3 544 B8R0.5 CC(C)NC(C)CCO Amb18642855 [2,0,0,0,0,0|1,0,1]=4 545 B8R0.5 CC(C)N[C@H](C)CCO Amb27829724 [2,0,0,0,0,0|1,0,1]=4 546 B8R0.5 CC(C)OC(C)CC=O Amb27390195 [2,0,0,0,0,0|1,0,0]=3 547 B8R0.5 CC(C)SC(C)CCO Amb27811898 [2,0,0,0,0,0|1,0,1]=4 548 B8R0.5 CC(CC#N)CC(=O)O Amb18642506 [2,0,0,0,0,0|1,0,1]=4 549 B8R0.5 CC(CC=O)CN(C)C Amb28437243 [2,0,0,0,0,0|1,0,0]=3 550 B8R0.5 CC(CCF)CC(=O)O Amb24477914 [2,0,0,0,0,0|1,0,0]=3 551 B8R0.5 CC(CCN)CC(=O)O Amb20667689 [2,0,0,0,0,0|1,0,0]=3 552 B8R0.5 CC(CCN)CC(=O)O Amb24376646 [2,0,0,0,0,0|1,0,0]=3 553 B8R0.5 CC(CCN)C[PH](=O)O Amb28250150 [2,0,0,0,0,0|2,0,0]=4 554 B8R0.5 CC(CCO)CC(=O)O Amb18642882 [2,0,0,0,0,0|1,0,0]=3 555 B8R0.5 CC(O)CC(C)CCO Amb27970261 [2,0,0,0,0,0|1,0,1]=4 556 B8R0.5 CC(O)OC(C)CC=O Amb27827462 [2,0,0,0,0,0|2,0,0]=4 557 B8R0.5 CCCC(Br)CC(C)=O Amb27974270 [2,0,0,0,0,0|2,0,0]=4 558 B8R0.5 CCCC(C)CC(=N)N Amb25771598 [2,0,0,0,0,0|2,0,0]=4 559 B8R0.5 CCCC(C)CC(=O)O Amb6749227 [2,0,0,0,0,0|0,0,0]=2 560 B8R0.5 CCCC(C)CC(C)=O Amb22229841 [2,0,0,0,0,0|1,0,0]=3 561 B8R0.5 CCCC(C)CC(C)C Amb22228271 [2,0,0,0,0,0|1,0,1]=4 562 B8R0.5 CCCC(C)CC(C)O Amb22229840 [2,0,0,0,0,0|1,0,1]=4 563 B8R0.5 CCCC(C)CC(N)=O Amb25146057 [2,0,0,0,0,0|1,0,0]=3 564 B8R0.5 CCCC(C)CC(N)=S Amb26066806 [2,0,0,0,0,0|1,1,0]=4 565 B8R0.5 CCCC(C)CN(C)O Amb33322352 [2,0,0,0,0,0|2,0,0]=4 566 B8R0.5 CCCC(C)CS(=O)[O-] Amb32755301 [2,0,0,0,0,0|1,0,1]=4 567 B8R0.5 CCCC(C)C[C@@H](C)O Amb33321139 [2,0,0,0,0,0|1,0,1]=4 568 B8R0.5 CCCC(C)C[C@H](C)O Amb33321088 [2,0,0,0,0,0|1,0,1]=4 569 B8R0.5 CCCC(C)C[N+](=O)[O-] Amb33321122 [2,0,0,0,0,0|1,0,1]=4 570 B8R0.5 CCCC(C)NC(=O)Cl Amb35637095 [2,0,0,0,0,0|2,0,0]=4 571 B8R0.5 CCCC(C)OC(=O)Cl Amb27205395 [2,0,0,0,0,0|2,0,0]=4 572 B8R0.5 CCCC(C)OC(C)=O Amb22732559 [2,0,0,0,0,0|2,0,0]=4 573 B8R0.5 CCCC(C)OC(N)=O Amb27150798 [2,0,0,0,0,0|2,0,0]=4 574 B8R0.5 CCCC(N)CC(=O)O Amb1993864 [2,0,0,0,0,0|0,0,0]=2 575 B8R0.5 CCCC(N)CC(C)=O Amb28069229 [2,0,0,0,0,0|1,0,0]=3 576 B8R0.5 CCCC(N)CC(C)C Amb18307059 [2,0,0,0,0,0|1,0,1]=4 577 B8R0.5 CCCC(N)CC(N)=O Amb25128031 [2,0,0,0,0,0|1,0,0]=3 578 B8R0.5 CCCC(N)CS(C)=O Amb27475787 [2,0,0,0,0,0|2,0,0]=4 579 B8R0.5 CCCC(O)CC(=O)O Amb2699832 [2,0,0,0,0,0|1,0,0]=3 580 B8R0.5 CCCC(O)CC(C)=O Amb17593376 [2,0,0,0,0,0|2,0,0]=4 581 B8R0.5 CCCN(C)CC(=O)O Amb19373314 [2,0,0,0,0,0|1,0,0]=3 582 B8R0.5 CCCN(C)CC(=O)O Amb8899167 [2,0,0,0,0,0|1,0,0]=3 583 B8R0.5 CCCN(O)CC(=O)O Amb27850231 [2,0,0,0,0,0|2,0,0]=4 584 B8R0.5 CCCS(=O)CC(=O)O Amb10608037 [2,0,0,0,0,0|2,0,0]=4 585 B8R0.5 CCC[C@@H](N)CC(=O)O Amb22225223 [2,0,0,0,0,0|0,0,0]=2 586 B8R0.5 CCC[C@@H](N)CC(=O)O Amb24739278 [2,0,0,0,0,0|0,0,0]=2 587 B8R0.5 CCC[C@@H](N)CC(C)C Amb28187619 [2,0,0,0,0,0|1,0,1]=4 588 B8R0.5 CCC[C@@H](O)CC(=O)O Amb25188904 [2,0,0,0,0,0|1,0,0]=3 589 B8R0.5 CCC[C@@H](O)CC(C)=O Amb25190233 [2,0,0,0,0,0|2,0,0]=4 590 B8R0.5 CCC[C@H](C)CC(=O)O Amb10844381 [2,0,0,0,0,0|0,0,0]=2 591 B8R0.5 CCC[C@H](C)NC(C)=O Amb27655527 [2,0,0,0,0,0|2,0,0]=4 592 B8R0.5 CCC[C@H](N)CC(=O)O Amb22226359 [2,0,0,0,0,0|0,0,0]=2 593 B8R0.5 CCC[C@H](N)CC(=O)O Amb27464904 [2,0,0,0,0,0|0,0,0]=2 594 B8R0.5 CCC[C@H](N)CC(C)C Amb27211349 [2,0,0,0,0,0|1,0,1]=4 595 B8R0.5 CCC[C@H](O)CC(=O)O Amb25367955 [2,0,0,0,0,0|1,0,0]=3 596 B8R0.5 CCC\C(C)=C\C(=O)O Amb33528454 [2,0,0,0,0,0|0,0,2]=4 597 B8R0.5 CCNC(C)CC(=O)O Amb13952759 [2,0,0,0,0,0|1,0,0]=3 598 B8R0.5 CCNC(C)CC(=O)O Amb9398369 [2,0,0,0,0,0|1,0,0]=3 599 B8R0.5 CCNC(C)CC(N)=O Amb17231866 [2,0,0,0,0,0|2,0,0]=4 600 B8R0.5 CCOC(C)CC(=O)O Amb9397849 [2,0,0,0,0,0|1,0,0]=3 601 B8R0.5 CCOC(C)CC(C)=O Amb25291783 [2,0,0,0,0,0|2,0,0]=4 602 B8R0.5 CCO[C@@H](C)CC(C)=O Amb27424691 [2,0,0,0,0,0|2,0,0]=4 603 B8R0.5 CCSC(C)CC(=O)O Amb9398136 [2,0,0,0,0,0|1,0,0]=3 604 B8R0.5 CN(C)CC(N)CCO Amb27444083 [2,0,0,0,0,0|1,0,1]=4 605 B8R0.5 CN(C)C[C@H](N)CCO Amb27180812 [2,0,0,0,0,0|1,0,1]=4 606 B8R0.5 CN(CCN)CC(=O)O Amb18313585 [2,0,0,0,0,0|2,0,0]=4 607 B8R0.5 CN(CCN)CC(=O)O Amb32701580 [2,0,0,0,0,0|2,0,0]=4 608 B8R0.5 CN(CCO)CC(=O)O Amb5767486 [2,0,0,0,0,0|2,0,0]=4 609 B8R0.5 CNCC(N)CC(C)C Amb19009731 [2,0,0,0,0,0|2,0,0]=4 610 B8R0.5 CNCC(O)CC(=O)O Amb28423259 [2,0,0,0,0,0|2,0,0]=4 611 B8R0.5 CNCC(O)CC(=O)O Amb32661843 [2,0,0,0,0,0|2,0,0]=4 612 B8R0.5 CNC[C@H](N)CC(=O)O Amb27798881 [2,0,0,0,0,0|1,0,0]=3 613 B8R0.5 COCC(C)CC(=O)O Amb19024342 [2,0,0,0,0,0|1,0,0]=3 614 B8R0.5 COCC(C)CC(C)=O Amb27464321 [2,0,0,0,0,0|2,0,0]=4 615 B8R0.5 COCC(C)CC(N)=O Amb27860801 [2,0,0,0,0,0|2,0,0]=4 616 B8R0.5 COCC(N)CC(=O)O Amb26641146 [2,0,0,0,0,0|1,0,0]=3 617 B8R0.5 COCC(N)CC(N)=O Amb33308419 [2,0,0,0,0,0|2,0,0]=4 618 B8R0.5 COCC(O)CC(=O)O Amb18832518 [2,0,0,0,0,0|2,0,0]=4 619 B8R0.5 COC[C@@H](N)CC(C)C Amb17061639 [2,0,0,0,0,0|2,0,0]=4 620 B8R0.5 COC[C@@H](O)CC(=O)O Amb33428853 [2,0,0,0,0,0|2,0,0]=4 621 B8R0.5 COC[C@H](N)CC(=O)O Amb33038388 [2,0,0,0,0,0|1,0,0]=3 622 B8R0.5 COC[C@H](N)CC(=O)O Amb33330661 [2,0,0,0,0,0|1,0,0]=3 623 B8R0.5 COC[C@H](O)CC(=O)O Amb33428852 [2,0,0,0,0,0|2,0,0]=4 624 B8R0.5 CONC(C)CC(=O)O Amb26844930 [2,0,0,0,0,0|2,0,0]=4 625 B8R0.5 CPCC(N)CC(=O)O Amb27184896 [2,0,0,0,0,0|1,0,0]=3 626 B8R0.5 CSCC(C)CC(=O)O Amb33273729 [2,0,0,0,0,0|1,0,0]=3 627 B8R0.5 CSCC(C)CC(C)C Amb27180886 [2,0,0,0,0,0|2,0,0]=4 628 B8R0.5 CSCC(N)CC(=O)O Amb25960719 [2,0,0,0,0,0|1,0,0]=3 629 B8R0.5 CSCC(O)CC(=O)O Amb24621046 [2,0,0,0,0,0|2,0,0]=4 630 B8R0.5 CSC[C@@H](N)CC(=O)O Amb27961000 [2,0,0,0,0,0|1,0,0]=3 631 B8R0.5 CSC[C@@H](O)CC(=O)O Amb33271747 [2,0,0,0,0,0|2,0,0]=4 632 B8R0.5 CSC[C@H](O)CC(=O)O Amb33271746 [2,0,0,0,0,0|2,0,0]=4 633 B8R0.5 C[C@@H](O)C[C@H](C)CCO Amb27766934 [2,0,0,0,0,0|1,0,1]=4 634 B8R0.5 C[C@H](CCO)CC(=O)O Amb27461411 [2,0,0,0,0,0|1,0,0]=3 635 B8R0.5 C[C@H](O)C[C@@H](C)CCO Amb27598607 [2,0,0,0,0,0|1,0,1]=4 636 B8R0.5 C\C(=C/C=O)CC(C)C Amb27185811 [2,0,0,0,0,0|0,0,2]=4 637 B8R0.5 C\C(=C\C=O)CC(C)C Amb533698 [2,0,0,0,0,0|0,0,2]=4 638 B8R0.5 C\C=C\C(N)CC(=O)O Amb25975538 [2,0,0,0,0,0|0,0,2]=4 639 B8R0.5 C\C=C\[C@H](C)CC(=O)O Amb28047718 [2,0,0,0,0,0|0,0,2]=4 640 B8R0.5 NC(CCF)CC(=O)O Amb33038391 [2,0,0,0,0,0|1,0,0]=3 641 B8R0.5 NCCC(N)CC(=O)O Amb26043872 [2,0,0,0,0,0|1,0,0]=3 642 B8R0.5 NCCC(O)CC(=O)O Amb27882021 [2,0,0,0,0,0|2,0,0]=4 643 B8R0.5 NCCC(O)CC(=O)O Amb31031000 [2,0,0,0,0,0|2,0,0]=4 644 B8R0.5 NCC[C@H](N)CC(=O)O Amb10067021 [2,0,0,0,0,0|1,0,0]=3 645 B8R0.5 NCC[C@H](N)CC(=O)O Amb35750363 [2,0,0,0,0,0|1,0,0]=3 646 B8R0.5 N[C@H](CCO)CC(=O)O Amb27169169 [2,0,0,0,0,0|1,0,0]=3 647 B8R0.5 O=C(O)CC(O)CCF Amb33196428 [2,0,0,0,0,0|2,0,0]=4 648 B8R0.5 O=C(O)CC(O)CCO Amb31031042 [2,0,0,0,0,0|2,0,0]=4 649 B8R0.5 O=C(O)C[C@@H](O)CCF Amb33196426 [2,0,0,0,0,0|2,0,0]=4 650 B8R0.5 O=C(O)C[C@H](O)CCF Amb33196427 [2,0,0,0,0,0|2,0,0]=4 651 B8R0.16 C=CC(CC)CC(=O)O Amb18642661 [2,0,0,0,0,0|1,0,1]=4 652 B8R0.16 C=C[C@@H](CC)CC(=O)O Amb27784737 [2,0,0,0,0,0|1,0,1]=4 653 B8R0.16 CC(C)CC(C#N)C=O Amb28285229 [2,0,0,0,0,0|0,0,2]=4 654 B8R0.16 CC(C)CC(CBr)CBr Amb27969898 [2,0,0,0,0,0|2,0,0]=4 655 B8R0.16 CC(C)CC(CN)CO Amb28934962 [2,0,0,0,0,0|0,0,0]=2 656 B8R0.16 CC(C)CC(CN)CO Amb33529947 [2,0,0,0,0,0|0,0,0]=2 657 B8R0.16 CC(C)CC(CO)CF Amb28245483 [2,0,0,0,0,0|1,0,0]=3 658 B8R0.16 CC(C)CC(CO)CO Amb27180325 [2,0,0,0,0,0|1,0,0]=3 659 B8R0.16 CC(C)C[C@@H](C#N)CO Amb28049180 [2,0,0,0,0,0|0,0,2]=4 660 B8R0.16 CC(C)C[C@@H](CN)CO Amb28120068 [2,0,0,0,0,0|0,0,0]=2 661 B8R0.16 CC(C)C\C(=C\F)CN Amb27221232 [2,0,0,0,0,0|1,0,1]=4 662 B8R0.16 CC(C)NC(CN)CN Amb28145274 [2,0,0,0,0,0|2,0,0]=4 663 B8R0.16 CC(C)NC(CO)CO Amb24636514 [2,0,0,0,0,0|2,0,0]=4 664 B8R0.16 CC(C)OC(CN)CN Amb28285468 [2,0,0,0,0,0|2,0,0]=4 665 B8R0.16 CC(C)OC(CN)CO Amb32721462 [2,0,0,0,0,0|1,0,0]=3 666 B8R0.16 CC(N)CC(CO)CO Amb9782645 [2,0,0,0,0,0|2,0,0]=4 667 B8R0.16 CCC(C#N)CC(=O)O Amb26871850 [2,0,0,0,0,0|0,0,2]=4 668 B8R0.16 CCC(C=O)CC(C)C Amb25291041 [2,0,0,0,0,0|1,0,0]=3 669 B8R0.16 CCC(CBr)CC(C)C Amb25740694 [2,0,0,0,0,0|1,0,1]=4 670 B8R0.16 CCC(CC(=O)O)OC Amb19037306 [2,0,0,0,0,0|2,0,0]=4 671 B8R0.16 CCC(CC(=O)O)SC Amb18316304 [2,0,0,0,0,0|2,0,0]=4 672 B8R0.16 CCC(CC)CC(=O)O Amb6749211 [2,0,0,0,0,0|1,0,0]=3 673 B8R0.16 CCC(CC)CC(C)=O Amb25791160 [2,0,0,0,0,0|2,0,0]=4 674 B8R0.16 CCC(CC)CC(C)C Amb27209017 [2,0,0,0,0,0|1,0,1]=4 675 B8R0.16 CCC(CC)CC(N)=O Amb28072905 [2,0,0,0,0,0|2,0,0]=4 676 B8R0.16 CCC(CCl)CC(C)C Amb27423740 [2,0,0,0,0,0|1,0,1]=4 677 B8R0.16 CCC(CN)CC(=O)O Amb20669457 [2,0,0,0,0,0|0,0,0]=2 678 B8R0.16 CCC(CN)CC(=O)O Amb22059482 [2,0,0,0,0,0|0,0,0]=2 679 B8R0.16 CCC(CN)CN(C)C Amb25146879 [2,0,0,0,0,0|1,0,1]=4 680 B8R0.16 CCC(CN)NC(C)=O Amb18112590 [2,0,0,0,0,0|2,0,0]=4 681 B8R0.16 CCC(CN)NC(N)=O Amb18908302 [2,0,0,0,0,0|2,0,0]=4 682 B8R0.16 CCC(CN)OC(C)C Amb19033649 [2,0,0,0,0,0|1,0,1]=4 683 B8R0.16 CCC(CO)CC(C)C Amb22641858 [2,0,0,0,0,0|1,0,0]=3 684 B8R0.16 CCC(CO)CC(C)O Amb27260248 [2,0,0,0,0,0|2,0,0]=4 685 B8R0.16 CCC(CO)OC(C)C Amb27805245 [2,0,0,0,0,0|2,0,0]=4 686 B8R0.16 CCN(CC)CC(=O)O Amb19258254 [2,0,0,0,0,0|2,0,0]=4 687 B8R0.16 CCN(CC)CC(=O)O Amb2721806 [2,0,0,0,0,0|2,0,0]=4 688 B8R0.16 CC[C@@H](CO)NC(C)C Amb28321294 [2,0,0,0,0,0|2,0,0]=4 689 B8R0.16 CC[C@H](CO)CC(C)C Amb27601183 [2,0,0,0,0,0|1,0,0]=3 690 B8R0.16 CN(C)CC(CN)CN Amb22001706 [2,0,0,0,0,0|2,0,0]=4 691 B8R0.16 CN(C)CC(CN)CN Amb28245410 [2,0,0,0,0,0|2,0,0]=4 692 B8R0.16 CNC(CN)CC(N)=O Amb28247281 [2,0,0,0,0,0|2,0,0]=4 693 B8R0.16 CNC(CO)CC(C)C Amb18307102 [2,0,0,0,0,0|2,0,0]=4 694 B8R0.16 CN[C@H](CO)CC(C)C Amb24382584 [2,0,0,0,0,0|2,0,0]=4 695 B8R0.16 COC(C=O)CC(C)C Amb25991763 [2,0,0,0,0,0|2,0,0]=4 696 B8R0.16 COC(CN)CC(=O)O Amb27806172 [2,0,0,0,0,0|1,0,0]=3 697 B8R0.16 COC(CN)CC(=O)O Amb28555397 [2,0,0,0,0,0|1,0,0]=3 698 B8R0.16 COC(CN)CC(C)C Amb24644820 [2,0,0,0,0,0|1,0,1]=4 699 B8R0.16 COC(CN)CC(N)=O Amb28189645 [2,0,0,0,0,0|2,0,0]=4 700 B8R0.16 COC(CN)CC(N)=O Amb32952894 [2,0,0,0,0,0|2,0,0]=4 701 B8R0.16 COC(CO)CC(C)C Amb28344891 [2,0,0,0,0,0|2,0,0]=4 702 B8R0.16 CO[C@H](C=O)CC(C)C Amb28202060 [2,0,0,0,0,0|2,0,0]=4 703 B8R0.16 CO[C@H](CO)CC(C)C Amb27853806 [2,0,0,0,0,0|2,0,0]=4 704 B8R0.16 CSC(CCl)CC(=O)O Amb28042698 [2,0,0,0,0,0|2,0,0]=4 705 B8R0.16 NCC(CF)CC(=O)O Amb27244579 [2,0,0,0,0,0|1,0,0]=3 706 B8R0.16 NCC(CO)CC(=O)O Amb22546422 [2,0,0,0,0,0|1,0,0]=3 707 B8R0.16 NCC(CO)CC(F)F Amb27815537 [2,0,0,0,0,0|2,0,0]=4 708 B8R0.16 O=C(O)CC(CF)CF Amb27448541 [2,0,0,0,0,0|2,0,0]=4 709 B8R0.16 O=C(O)CC(CO)CCl Amb27468690 [2,0,0,0,0,0|2,0,0]=4 710 B8R0.22 C=CC(CC=O)CCC Amb18642456 [2,0,0,0,0,0|1,0,1]=4 711 B8R0.22 C=CCC(CBr)CCC Amb24468596 [2,0,0,0,0,0|2,0,0]=4 712 B8R0.22 C=CCC(CCC)NN Amb27662897 [2,0,0,0,0,0|2,0,0]=4 713 B8R0.22 C=CCC(CCl)CCC Amb25312784 [2,0,0,0,0,0|2,0,0]=4 714 B8R0.22 C=CCC(CN)CCC Amb28074413 [2,0,0,0,0,0|1,0,0]=3 715 B8R0.22 C=CCC(CN)COC Amb28399504 [2,0,0,0,0,0|2,0,0]=4 716 B8R0.22 C=CC[C@H](CO)CCC Amb27197462 [2,0,0,0,0,0|2,0,0]=4 717 B8R0.22 CCCC(CN)CCBr Amb27205781 [2,0,0,0,0,0|1,0,1]=4 718 B8R0.22 CCCC(CN)CCC Amb8950145 [2,0,0,0,0,0|1,0,1]=4 719 B8R0.22 CCCC(CN)CCO Amb19149196 [2,0,0,0,0,0|0,0,1]=3 720 B8R0.22 CCCC(CN)COC Amb25683544 [2,0,0,0,0,0|2,0,0]=4 721 B8R0.22 CCCC(CO)OC=O Amb28069640 [2,0,0,0,0,0|2,0,0]=4 722 B8R0.22 CCCN(CC)CC=O Amb27989166 [2,0,0,0,0,0|2,0,0]=4 723 B8R0.22 CCC[C@@H](CC)CC=O Amb27751286 [2,0,0,0,0,0|1,0,0]=3 724 B8R0.22 CCC[C@H](CC)CCO Amb27972329 [2,0,0,0,0,0|1,0,1]=4 725 B8R0.22 CCOC(CN)CCO Amb27837423 [2,0,0,0,0,0|1,0,1]=4 726 B8R0.28 C=C(C)CCCC(=O)O Amb2699907 [2,0,0,0,0,0|0,0,2]=4 727 B8R0.28 C=C(C)CCCC(C)C Amb22228386 [2,0,0,0,0,0|2,0,0]=4 728 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [2,0,0,0,0,0|1,0,1]=4 729 B8R0.28 CC(=O)CCCC(C)C Amb33532191 [2,0,0,0,0,0|1,0,0]=3 730 B8R0.28 CC(=O)CCCC(C)N Amb27483216 [2,0,0,0,0,0|2,0,0]=4 731 B8R0.28 CC(=O)CCCN(C)C Amb2778944 [2,0,0,0,0,0|2,0,0]=4 732 B8R0.28 CC(=O)CCNC(C)C Amb26463473 [2,0,0,0,0,0|2,0,0]=4 733 B8R0.28 CC(=O)CCOC(C)C Amb22229804 [2,0,0,0,0,0|2,0,0]=4 734 B8R0.28 CC(=O)CNCC(C)C Amb25067661 [2,0,0,0,0,0|2,0,0]=4 735 B8R0.28 CC(=O)CNCC(C)C Amb32663767 [2,0,0,0,0,0|2,0,0]=4 736 B8R0.28 CC(=O)CSCC(C)C Amb9269384 [2,0,0,0,0,0|2,0,0]=4 737 B8R0.28 CC(=O)OCCC(C)C Amb2793054 [2,0,0,0,0,0|2,0,0]=4 738 B8R0.28 CC(C)=CCCC(=O)O Amb10601609 [2,0,0,0,0,0|0,0,2]=4 739 B8R0.28 CC(C)C#CCC(=O)O Amb26516061 [2,0,0,0,0,0|0,0,2]=4 740 B8R0.28 CC(C)CC#CC(=O)O Amb28398479 [2,0,0,0,0,0|0,0,2]=4 741 B8R0.28 CC(C)CCCC(=N)N Amb23569433 [2,0,0,0,0,0|2,0,0]=4 742 B8R0.28 CC(C)CCCC(=O)O Amb3941255 [2,0,0,0,0,0|0,0,0]=2 743 B8R0.28 CC(C)CCCC(C)O Amb2721284 [2,0,0,0,0,0|1,0,1]=4 744 B8R0.28 CC(C)CCCC(N)=S Amb28285193 [2,0,0,0,0,0|1,1,0]=4 745 B8R0.28 CC(C)CCCP(O)O Amb27835938 [2,0,0,0,0,0|1,0,1]=4 746 B8R0.28 CC(C)CCCS(=O)Cl Amb32720416 [2,0,0,0,0,0|2,0,0]=4 747 B8R0.28 CC(C)CCCS(=O)[O-] Amb32754454 [2,0,0,0,0,0|1,0,1]=4 748 B8R0.28 CC(C)CCCS(N)=O Amb32720417 [2,0,0,0,0,0|2,0,0]=4 749 B8R0.28 CC(C)CCC[C@@H](C)O Amb22746847 [2,0,0,0,0,0|1,0,1]=4 750 B8R0.28 CC(C)CCC[C@H](C)O Amb28291294 [2,0,0,0,0,0|1,0,1]=4 751 B8R0.28 CC(C)CCC[N+](=O)[O-] Amb33226988 [2,0,0,0,0,0|1,0,1]=4 752 B8R0.28 CC(C)CCNC(N)=O Amb1104833 [2,0,0,0,0,0|2,0,0]=4 753 B8R0.28 CC(C)CCOC(=O)Cl Amb27463593 [2,0,0,0,0,0|2,0,0]=4 754 B8R0.28 CC(C)CCOC(N)=O Amb25299964 [2,0,0,0,0,0|2,0,0]=4 755 B8R0.28 CC(C)CNCC(=O)O Amb19373106 [2,0,0,0,0,0|1,0,0]=3 756 B8R0.28 CC(C)CNCC(=O)O Amb7766417 [2,0,0,0,0,0|1,0,0]=3 757 B8R0.28 CC(C)CNCC(N)=O Amb1118171 [2,0,0,0,0,0|2,0,0]=4 758 B8R0.28 CC(C)CNCC(N)=O Amb6892556 [2,0,0,0,0,0|2,0,0]=4 759 B8R0.28 CC(C)COCC(=O)O Amb2608476 [2,0,0,0,0,0|1,0,0]=3 760 B8R0.28 CC(C)CSCC(=O)O Amb1134811 [2,0,0,0,0,0|1,0,0]=3 761 B8R0.28 CC(C)C\C=C\C(=O)O Amb8392407 [2,0,0,0,0,0|0,0,2]=4 762 B8R0.28 CC(C)NCCC(=O)O Amb1106349 [2,0,0,0,0,0|1,0,0]=3 763 B8R0.28 CC(C)NCCC(=O)O Amb528114 [2,0,0,0,0,0|1,0,0]=3 764 B8R0.28 CC(C)NCCC(N)=O Amb8841611 [2,0,0,0,0,0|2,0,0]=4 765 B8R0.28 CC(C)NCC[PH](=O)O Amb28056178 [2,0,0,0,0,0|2,0,0]=4 766 B8R0.28 CC(C)OCCC(=O)Cl Amb24423336 [2,0,0,0,0,0|2,0,0]=4 767 B8R0.28 CC(C)OCCC(=O)O Amb6260272 [2,0,0,0,0,0|1,0,0]=3 768 B8R0.28 CC(C)SCCC(=O)O Amb6267279 [2,0,0,0,0,0|1,0,0]=3 769 B8R0.28 CC(C)\C=C\CC(=O)O Amb17844074 [2,0,0,0,0,0|0,0,2]=4 770 B8R0.28 CC(Cl)CCCC(=O)Cl Amb26491427 [2,0,0,0,0,0|2,0,0]=4 771 B8R0.28 CC(Cl)CCCC(N)=O Amb27869185 [2,0,0,0,0,0|2,0,0]=4 772 B8R0.28 CC(F)CCCC(=O)O Amb28144031 [2,0,0,0,0,0|1,0,0]=3 773 B8R0.28 CC(N)CCCC(=O)O Amb22059416 [2,0,0,0,0,0|1,0,0]=3 774 B8R0.28 CC(N)CCCC(=O)O Amb28934990 [2,0,0,0,0,0|1,0,0]=3 775 B8R0.28 CC(N)CSCC(=O)O Amb27221487 [2,0,0,0,0,0|2,0,0]=4 776 B8R0.28 CC(O)CCCC(=O)O Amb2371277 [2,0,0,0,0,0|1,0,0]=3 777 B8R0.28 CC(O)CCCC(=O)[O-] Amb17615415 [2,0,0,0,0,0|1,0,1]=4 778 B8R0.28 CC(O)CNCC(=O)O Amb9359979 [2,0,0,0,0,0|2,0,0]=4 779 B8R0.28 CC(O)COCC(=O)O Amb27968624 [2,0,0,0,0,0|2,0,0]=4 780 B8R0.28 CC(O)CSCC(=O)O Amb19005278 [2,0,0,0,0,0|2,0,0]=4 781 B8R0.28 CN(C)CCCC(=O)Cl Amb27450969 [2,0,0,0,0,0|2,0,0]=4 782 B8R0.28 CN(C)CCCC(=O)Cl Amb32409435 [2,0,0,0,0,0|2,0,0]=4 783 B8R0.28 CN(C)CCCC(=O)O Amb2716225 [2,0,0,0,0,0|1,0,0]=3 784 B8R0.28 CN(C)CCCC(=O)O Amb9176338 [2,0,0,0,0,0|1,0,0]=3 785 B8R0.28 CN(C)CCCC(N)=O Amb25887462 [2,0,0,0,0,0|2,0,0]=4 786 B8R0.28 C[NH+](C)CCCC(=O)O Amb9786711 [2,0,0,0,0,0|1,0,0]=3 787 B8R0.28 O=C(O)CCCC(F)F Amb24117996 [2,0,0,0,0,0|2,0,0]=4 788 B10R0.8 C=CCC(CBr)CC(C)(C)C Amb32691153 [1,1,0,0,0,0|2,0,0]=4 789 B10R0.8 C=CCC(CCl)CC(C)(C)C Amb32691152 [1,1,0,0,0,0|2,0,0]=4 790 B10R0.23 CCCC(CC(=O)O)C(=O)O Amb18645267 [1,1,0,0,0,0|1,0,1]=4 791 B10R0.23 CCOC(CC(=O)O)C(C)C Amb20669035 [1,1,0,0,0,0|2,0,0]=4 792 B10R0.25 C=CCC(CBr)C(C)C(C)C Amb32690019 [1,1,0,0,0,0|2,0,0]=4 793 B10R0.25 C=CCC(CCl)C(C)C(C)C Amb32690018 [1,1,0,0,0,0|2,0,0]=4 794 B10R0.25 CCCC(CC)C(C)C(=O)O Amb33731304 [1,1,0,0,0,0|1,0,0]=3 795 B10R0.25 CCCC(CC)[C@@H](C)C(=O)O Amb33743248 [1,1,0,0,0,0|1,0,0]=3 796 B10R0.25 CCCC(CC)[C@H](C)C(=O)O Amb33744636 [1,1,0,0,0,0|1,0,0]=3 797 B10R0.25 CCCC(CN)C(O)C(=O)O Amb32693187 [1,1,0,0,0,0|0,0,0]=2 798 B10R0.25 CCCC(CN)C(O)C(C)C Amb32693184 [1,1,0,0,0,0|1,0,1]=4 799 B10R0.29 C#CC(=O)NC(CN)CCC Amb27269880 [1,1,0,0,0,0|2,0,0]=4 800 B10R0.29 C=CCC(CBr)CC(C)CC Amb32689429 [1,1,0,0,0,0|2,0,0]=4 801 B10R0.29 C=CCC(CBr)CC(C)OC Amb32689433 [1,1,0,0,0,0|2,0,0]=4 802 B10R0.29 C=CCC(CCl)CC(C)CC Amb32689473 [1,1,0,0,0,0|2,0,0]=4 803 B10R0.29 C=CCC(CCl)CC(C)OC Amb32689477 [1,1,0,0,0,0|2,0,0]=4 804 B10R0.29 CCCC(CN)CC(=O)OC Amb33449836 [1,1,0,0,0,0|0,0,0]=2 805 B10R0.29 CCCC(CN)NC(=O)NC Amb27266828 [1,1,0,0,0,0|2,0,0]=4 806 B10R0.29 COC(=O)CC(CN)CCF Amb33196107 [1,1,0,0,0,0|1,0,0]=3 807 B10R0.29 COC(=O)CC(CN)CSC Amb33271728 [1,1,0,0,0,0|1,0,0]=3 808 B10R0.29 COCC(CN)CC(=O)OC Amb33429488 [1,1,0,0,0,0|1,0,0]=3 809 B10R0.54 CCC(C)C(CN)CC(=O)O Amb33474414 [1,1,0,0,0,0|0,0,0]=2 810 B10R0.79 CC(C)CN(CCN)CCO Amb24101941 [1,1,0,0,0,0|1,0,1]=4 811 B10R0.79 CCCC(CC(=O)O)NC=O Amb33254018 [1,1,0,0,0,0|1,0,1]=4 812 B10R0.79 CCCC(CCC)CC(=O)O Amb6749228 [1,1,0,0,0,0|1,0,0]=3 813 B10R0.79 CCCC(CCC)CC(C)=O Amb33171732 [1,1,0,0,0,0|2,0,0]=4 814 B10R0.79 CCCN(CCC)CC(=O)O Amb5775259 [1,1,0,0,0,0|2,0,0]=4 815 B10R0.79 CCOC(CC(=O)O)OCC Amb8388147 [1,1,0,0,0,0|2,0,0]=4 816 B10R0.87 C=CCCC(CBr)CC(C)C Amb32689707 [1,1,0,0,0,0|2,0,0]=4 817 B10R0.87 C=CCCC(CCl)CC(C)C Amb32689700 [1,1,0,0,0,0|2,0,0]=4 818 B10R0.87 CC(C)CC(CN)OCCO Amb33034836 [1,1,0,0,0,0|0,0,1]=3 819 B10R0.87 CCCCC(CC)CC(=O)O Amb18797358 [1,1,0,0,0,0|1,0,0]=3 820 B10R0.87 CCCCC(CN)CC(=O)O Amb33171809 [1,1,0,0,0,0|0,0,0]=2 821 B10R0.87 CCSCC(CN)CC(=O)O Amb33224190 [1,1,0,0,0,0|0,0,0]=2 822 B10R0.87 CC\C=C\C(CN)CC(=O)O Amb33080084 [1,1,0,0,0,0|0,0,1]=3 823 B10R0.87 COCCC(CBr)CC(C)C Amb32689091 [1,1,0,0,0,0|1,0,1]=4 824 B10R0.87 COCCC(CCl)CC(C)C Amb32689086 [1,1,0,0,0,0|1,0,1]=4 825 B10R0.87 COCCC(CN)CC(=O)O Amb33377833 [1,1,0,0,0,0|0,0,0]=2 826 B10R0.87 CSCCC(CN)CC(=O)O Amb33199122 [1,1,0,0,0,0|0,0,0]=2 827 B10R0.102 CCCC(N)(CC)CC(=O)O Amb32787782 [1,1,0,0,0,0|1,0,0]=3 828 B10R0.102 CCCC(N)(CC)CC(N)=O Amb32787961 [1,1,0,0,0,0|2,0,0]=4 829 B10R0.102 CCCC(O)(CN)CC(=O)O Amb33346942 [1,1,0,0,0,0|0,0,0]=2 830 B10R0.102 COCC(N)(CN)CC(=O)O Amb32787978 [1,1,0,0,0,0|1,0,0]=3 831 B10R0.102 COCC(N)(CN)CC(N)=O Amb33254594 [1,1,0,0,0,0|2,0,0]=4 832 B10R0.13 C=C(C(=O)O)[C@@H](O)CC(C)C Amb27990197 [1,1,0,0,0,0|1,0,1]=4 833 B10R0.13 C=C(C(=O)O)[C@H](O)CC(C)C Amb27990196 [1,1,0,0,0,0|1,0,1]=4 834 B10R0.13 C=C(C)C(O)C(C)CC(C)C Amb27987720 [1,1,0,0,0,0|2,0,0]=4 835 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [1,1,0,0,0,0|1,0,1]=4 836 B10R0.13 CC(=O)C(Cl)C(O)CC(C)C Amb27271144 [1,1,0,0,0,0|2,0,0]=4 837 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [1,1,0,0,0,0|1,0,1]=4 838 B10R0.13 CC(=O)[C@@H](F)[C@@H](O)CC(C)C Amb27672403 [1,1,0,0,0,0|2,0,0]=4 839 B10R0.13 CC(=O)[C@@H](F)[C@H](O)CC(C)C Amb27672405 [1,1,0,0,0,0|2,0,0]=4 840 B10R0.13 CC(=O)[C@H](F)[C@H](O)CC(C)C Amb27672402 [1,1,0,0,0,0|2,0,0]=4 841 B10R0.13 CC(=O)[C@H](O)[C@@H](O)CC(C)C Amb27672506 [1,1,0,0,0,0|2,0,0]=4 842 B10R0.13 CC(C)C(=O)N(C)CC(=O)O Amb1115376 [1,1,0,0,0,0|1,0,1]=4 843 B10R0.13 CC(C)C(C)C(C)CC(=O)O Amb27000233 [1,1,0,0,0,0|0,0,0]=2 844 B10R0.13 CC(C)C(C)C(N)CC(=O)O Amb26076864 [1,1,0,0,0,0|0,0,0]=2 845 B10R0.13 CC(C)C(C)C(N)CC(N)=O Amb28387338 [1,1,0,0,0,0|1,0,0]=3 846 B10R0.13 CC(C)C(C)N(C)CC(=O)O Amb9433241 [1,1,0,0,0,0|1,0,0]=3 847 B10R0.13 CC(C)C(C)N(C)CC(N)=O Amb18791936 [1,1,0,0,0,0|2,0,0]=4 848 B10R0.13 CC(C)C(C)S(=O)CC(=O)O Amb27269973 [1,1,0,0,0,0|2,0,0]=4 849 B10R0.13 CC(C)C(C)[C@@H](N)CC(=O)O Amb28387334 [1,1,0,0,0,0|0,0,0]=2 850 B10R0.13 CC(C)C(C)[C@@H](N)CC(N)=O Amb28387336 [1,1,0,0,0,0|1,0,0]=3 851 B10R0.13 CC(C)C(C)[C@H](N)CC(=O)O Amb28387335 [1,1,0,0,0,0|0,0,0]=2 852 B10R0.13 CC(C)C(C)[C@H](N)CC(N)=O Amb28387337 [1,1,0,0,0,0|1,0,0]=3 853 B10R0.13 CC(C)C(F)C(C)CC(=O)O Amb27989459 [1,1,0,0,0,0|0,0,0]=2 854 B10R0.13 CC(C)C(O)C(C)CC(=O)O Amb18797772 [1,1,0,0,0,0|0,0,0]=2 855 B10R0.13 CC(C)C(O)C(N)CC(=O)O Amb18199829 [1,1,0,0,0,0|0,0,0]=2 856 B10R0.13 CC(C)CC(C)C(=O)C(N)=O Amb27818764 [1,1,0,0,0,0|1,0,1]=4 857 B10R0.13 CC(C)CC(C)C(C)C(=O)O Amb26998835 [1,1,0,0,0,0|0,0,0]=2 858 B10R0.13 CC(C)CC(C)C(C)C(C)O Amb27670991 [1,1,0,0,0,0|1,0,1]=4 859 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb25384855 [1,1,0,0,0,0|0,0,0]=2 860 B10R0.13 CC(C)CC(C)C(N)C(=O)O Amb33329315 [1,1,0,0,0,0|0,0,0]=2 861 B10R0.13 CC(C)CC(C)C(N)C(N)=O Amb24750735 [1,1,0,0,0,0|1,0,0]=3 862 B10R0.13 CC(C)CC(C)C(O)C(=O)O Amb27492041 [1,1,0,0,0,0|0,0,0]=2 863 B10R0.13 CC(C)CC(C)C(O)C(C)O Amb27670995 [1,1,0,0,0,0|1,0,1]=4 864 B10R0.13 CC(C)CC(C)[C@@H](C)C(=O)O Amb33727253 [1,1,0,0,0,0|0,0,0]=2 865 B10R0.13 CC(C)CC(C)[C@@H](N)C(=O)O Amb27671005 [1,1,0,0,0,0|0,0,0]=2 866 B10R0.13 CC(C)CC(C)[C@H](C)C(=O)O Amb33744624 [1,1,0,0,0,0|0,0,0]=2 867 B10R0.13 CC(C)CC(C)[C@H](N)C(=O)O Amb27671004 [1,1,0,0,0,0|0,0,0]=2 868 B10R0.13 CC(C)CC(N)C(C)C(=O)O Amb26082832 [1,1,0,0,0,0|0,0,0]=2 869 B10R0.13 CC(C)CC(N)C(F)C(=O)O Amb26083817 [1,1,0,0,0,0|0,0,0]=2 870 B10R0.13 CC(C)CC(N)C(O)C(N)=O Amb26083809 [1,1,0,0,0,0|1,0,0]=3 871 B10R0.13 CC(C)CC(N)C(O)C(O)O Amb27671699 [1,1,0,0,0,0|0,0,2]=4 872 B10R0.13 CC(C)CC(O)C(C)C(=O)O Amb18310730 [1,1,0,0,0,0|1,0,0]=3 873 B10R0.13 CC(C)CC(O)C(F)C(=O)O Amb33036201 [1,1,0,0,0,0|1,0,0]=3 874 B10R0.13 CC(C)CC(O)C(N)C(=O)O Amb26992515 [1,1,0,0,0,0|1,0,0]=3 875 B10R0.13 CC(C)CC(O)C(O)C(=O)O Amb27990260 [1,1,0,0,0,0|1,0,0]=3 876 B10R0.13 CC(C)CN(C)C(=O)C(=O)O Amb9304057 [1,1,0,0,0,0|1,0,1]=4 877 B10R0.13 CC(C)CN(C)C(C)C(=O)O Amb8900053 [1,1,0,0,0,0|1,0,0]=3 878 B10R0.13 CC(C)CN(C)C(C)C(N)=O Amb18799990 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.13 CC(C)CS(=O)C(C)C(=O)O Amb18314642 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.13 CC(C)C[C@@H](N)[C@H](O)C(=O)O Amb27269202 [1,1,0,0,0,0|0,0,0]=2 881 B10R0.13 CC(C)C[C@@H](O)[C@@H](N)C(=O)O Amb27990182 [1,1,0,0,0,0|1,0,0]=3 882 B10R0.13 CC(C)C[C@@H](O)[C@H](N)C(=O)O Amb27990181 [1,1,0,0,0,0|1,0,0]=3 883 B10R0.13 CC(C)C[C@H](N)C(O)C(=O)O Amb27269200 [1,1,0,0,0,0|0,0,0]=2 884 B10R0.13 CC(C)C[C@H](N)[C@H](O)C(=O)O Amb27001572 [1,1,0,0,0,0|0,0,0]=2 885 B10R0.13 CC(C)C[C@H](O)[C@H](N)C(=O)O Amb27271131 [1,1,0,0,0,0|1,0,0]=3 886 B10R0.13 CC(C)N(C)C(C)CC(=O)O Amb9399171 [1,1,0,0,0,0|1,0,0]=3 887 B10R0.13 CC(C)S(=O)C(C)CC(=O)O Amb18305769 [1,1,0,0,0,0|1,0,0]=3 888 B10R0.13 CC(C)S(=O)N(C)CC(=O)O Amb27272464 [1,1,0,0,0,0|2,0,0]=4 889 B10R0.13 CC(C)SC(C)C(C)C(=O)O Amb27670366 [1,1,0,0,0,0|1,0,0]=3 890 B10R0.13 CC(C)[C@@H](C)[C@H](N)CC(=O)O Amb27990258 [1,1,0,0,0,0|0,0,0]=2 891 B10R0.13 CC(CC(=O)O)C(C)N(C)C Amb18830326 [1,1,0,0,0,0|1,0,0]=3 892 B10R0.13 CC(CN(C)C)C(N)C(=O)O Amb33066048 [1,1,0,0,0,0|1,0,0]=3 893 B10R0.13 CC(CN(C)C)C(N)C(N)=O Amb33069962 [1,1,0,0,0,0|2,0,0]=4 894 B10R0.13 CC(CN(C)C)[C@@H](N)C(=O)O Amb33036586 [1,1,0,0,0,0|1,0,0]=3 895 B10R0.13 CC(CN(C)C)[C@H](N)C(=O)O Amb33066275 [1,1,0,0,0,0|1,0,0]=3 896 B10R0.13 CC(NN(C)C)C(C)C(=O)O Amb27492292 [1,1,0,0,0,0|2,0,0]=4 897 B10R0.13 CC(O)CN(C)C(C)C(=O)O Amb19021865 [1,1,0,0,0,0|2,0,0]=4 898 B10R0.13 CN(C)C(=O)C(N)CC(=O)O Amb18224399 [1,1,0,0,0,0|1,0,1]=4 899 B10R0.13 C[C@H](O)[C@H](O)[C@@H](O)CC(=O)O Amb27990155 [1,1,0,0,0,0|2,0,0]=4 900 B10R0.31 C=C(C)CC(N)CC(C)(C)C Amb27271686 [1,1,0,0,0,0|2,0,0]=4 901 B10R0.31 CC(=O)CC(C)CC(C)(C)C Amb27672633 [1,1,0,0,0,0|1,0,0]=3 902 B10R0.31 CC(=O)CC(N)CC(C)(C)C Amb27672754 [1,1,0,0,0,0|1,0,0]=3 903 B10R0.31 CC(=O)CN(C)CC(C)(C)C Amb18183220 [1,1,0,0,0,0|2,0,0]=4 904 B10R0.31 CC(=O)CN(C)CC(C)(C)O Amb27271312 [1,1,0,0,0,0|2,0,0]=4 905 B10R0.31 CC(=O)C[C@@H](O)CC(C)(C)C Amb27673853 [1,1,0,0,0,0|2,0,0]=4 906 B10R0.31 CC(=O)C[C@H](C)CC(C)(C)C Amb28080250 [1,1,0,0,0,0|1,0,0]=3 907 B10R0.31 CC(=O)C[C@H](O)CC(C)(C)C Amb27673854 [1,1,0,0,0,0|2,0,0]=4 908 B10R0.31 CC(=O)SC(C)CC(C)(C)C Amb28079284 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.31 CC(C)(C)CC(N)CC(=O)O Amb18830328 [1,1,0,0,0,0|0,0,0]=2 910 B10R0.31 CC(C)(C)CC(N)CC(=O)O Amb28652902 [1,1,0,0,0,0|0,0,0]=2 911 B10R0.31 CC(C)(C)CC(N)CC(N)=O Amb26076807 [1,1,0,0,0,0|1,0,0]=3 912 B10R0.31 CC(C)(C)CC(O)CC(=O)O Amb18315668 [1,1,0,0,0,0|1,0,0]=3 913 B10R0.31 CC(C)(C)C[C@@H](O)CC(=O)O Amb33380585 [1,1,0,0,0,0|1,0,0]=3 914 B10R0.31 CC(C)(C)C[C@H](O)CC(=O)O Amb33380584 [1,1,0,0,0,0|1,0,0]=3 915 B10R0.31 CC(C)CC(C)CC(C)(C)O Amb27271733 [1,1,0,0,0,0|1,0,1]=4 916 B10R0.31 CC(C)CC(C)CS(=O)(=O)Cl Amb24750737 [1,1,0,0,0,0|1,0,1]=4 917 B10R0.31 CC(C)CC(C)CS(=O)(=O)F Amb33352032 [1,1,0,0,0,0|1,0,1]=4 918 B10R0.31 CC(C)CC(C)CS(N)(=O)=O Amb24750738 [1,1,0,0,0,0|1,0,1]=4 919 B10R0.31 CC(C)CC(N)CS(=O)(=O)F Amb27671631 [1,1,0,0,0,0|1,0,1]=4 920 B10R0.31 CC(C)CC(N)CS(=O)(=O)O Amb27990328 [1,1,0,0,0,0|1,0,0]=3 921 B10R0.31 CC(C)C[C@@H](N)CS(C)(=O)=O Amb33465429 [1,1,0,0,0,0|1,0,1]=4 922 B10R0.31 CC(C)C[C@@H](N)CS(C)(=O)=O Amb33465431 [1,1,0,0,0,0|1,0,1]=4 923 B10R0.31 CC(C)C[C@H](N)CS(=O)(=O)F Amb26660760 [1,1,0,0,0,0|1,0,1]=4 924 B10R0.31 CC(C)C[C@H](N)CS(C)(=O)=O Amb33465498 [1,1,0,0,0,0|1,0,1]=4 925 B10R0.31 CC(C)C[C@H](N)CS(C)(=O)=O Amb33465499 [1,1,0,0,0,0|1,0,1]=4 926 B10R0.31 CC(C)NC(C)CS(=O)(=O)O Amb27989938 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C Amb2691152 [1,1,0,0,0,0|1,0,0]=3 928 B10R0.31 CC(CC(=O)O)CC(C)(C)C Amb2720439 [1,1,0,0,0,0|0,0,0]=2 929 B10R0.31 CC(CC(=O)O)CC(F)(F)F Amb18266754 [1,1,0,0,0,0|2,0,0]=4 930 B10R0.31 CC(CC(=O)O)CS(C)(=O)=O Amb33056371 [1,1,0,0,0,0|2,0,0]=4 931 B10R0.31 CC(CC(=O)O)NC(C)(C)C Amb17334468 [1,1,0,0,0,0|1,0,0]=3 932 B10R0.31 CC(CC(C)(C)C)NC(=O)Cl Amb35633426 [1,1,0,0,0,0|2,0,0]=4 933 B10R0.31 CC(CC(C)(C)C)NC(N)=O Amb28323990 [1,1,0,0,0,0|2,0,0]=4 934 B10R0.31 CC(CC(N)=O)CC(C)(C)C Amb27990240 [1,1,0,0,0,0|1,0,0]=3 935 B10R0.31 CC(CC(N)=O)NC(C)(C)C Amb17232263 [1,1,0,0,0,0|2,0,0]=4 936 B10R0.31 CC(O)CC(C)CC(C)(C)C Amb25383207 [1,1,0,0,0,0|1,0,1]=4 937 B10R0.31 CC(O)CC(C)CC(C)(C)O Amb27989923 [1,1,0,0,0,0|1,0,1]=4 938 B10R0.31 CN(CC(=O)O)CC(C)(C)C Amb18800132 [1,1,0,0,0,0|1,0,0]=3 939 B10R0.31 CN(CC(=O)O)CC(C)(C)C Amb28652824 [1,1,0,0,0,0|1,0,0]=3 940 B10R0.31 CN(CC(N)=O)CC(C)(C)C Amb18799982 [1,1,0,0,0,0|2,0,0]=4 941 B10R0.31 CS(=O)(=O)CC(N)CC(=O)O Amb27001221 [1,1,0,0,0,0|2,0,0]=4 942 B10R0.31 C[C@@H](CC(=O)O)OC(C)(C)C Amb27986820 [1,1,0,0,0,0|1,0,0]=3 943 B10R0.31 C[C@H](CC(=O)O)OC(C)(C)C Amb27986819 [1,1,0,0,0,0|1,0,0]=3 944 B10R0.31 C[N+](C)(C)CC(Cl)CC(=O)O Amb28080266 [1,1,0,0,0,0|2,0,0]=4 945 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O Amb4605818 [1,1,0,0,0,0|2,0,0]=4 946 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O Amb22745454 [1,1,0,0,0,0|2,0,0]=4 947 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O Amb22388510 [1,1,0,0,0,0|2,0,0]=4 948 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)O Amb8514771 [1,1,0,0,0,0|2,0,0]=4 949 B10R0.31 NC(CC(=O)O)CC(F)(F)F Amb2697649 [1,1,0,0,0,0|2,0,0]=4 950 B10R0.44 C#CC(=O)NC(C)CC(C)C Amb28188059 [1,1,0,0,0,0|2,0,0]=4 951 B10R0.44 C#CC(C)NC(C)CC(=O)O Amb27988095 [1,1,0,0,0,0|1,0,1]=4 952 B10R0.44 CC(C)CC(C)CC(=O)NN Amb27272028 [1,1,0,0,0,0|1,0,0]=3 953 B10R0.44 CC(C)CC(C)C\C(N)=N\O Amb27987716 [1,1,0,0,0,0|1,0,0]=3 954 B10R0.44 CC(C)CC(C)NC(=O)CS Amb28387073 [1,1,0,0,0,0|1,1,0]=4 955 B10R0.44 CC(C)CN(C)C\C(N)=N\O Amb8899931 [1,1,0,0,0,0|2,0,0]=4 956 B10R0.44 CC(O)CC(C)NC(=O)CO Amb28326403 [1,1,0,0,0,0|2,0,0]=4 957 B10R0.44 CCC(C)CC(C)NC(C)=O Amb27986460 [1,1,0,0,0,0|2,0,0]=4 958 B10R0.44 CCC(C)CC(C)NC(N)=O Amb27986458 [1,1,0,0,0,0|2,0,0]=4 959 B10R0.44 CCC(C)CC(N)CC(N)=O Amb33255690 [1,1,0,0,0,0|1,0,0]=3 960 B10R0.44 CCC(C)CC(O)CC(=O)O Amb33036189 [1,1,0,0,0,0|1,0,0]=3 961 B10R0.44 CCC(C)C\C(C)=C/C(=O)O Amb27990191 [1,1,0,0,0,0|0,0,2]=4 962 B10R0.44 CCC(C)C\C(C)=C\C(=O)O Amb28080580 [1,1,0,0,0,0|0,0,2]=4 963 B10R0.44 CCC(N)CC(C)CC(=O)O Amb32669801 [1,1,0,0,0,0|1,0,0]=3 964 B10R0.44 CNC(=O)CC(C)NC(C)C Amb27987371 [1,1,0,0,0,0|2,0,0]=4 965 B10R0.44 CNC(=O)C[C@@H](N)CC(C)C Amb33163988 [1,1,0,0,0,0|1,0,0]=3 966 B10R0.44 CNC(=O)NC(C)CC(C)C Amb27485619 [1,1,0,0,0,0|2,0,0]=4 967 B10R0.44 COC(=O)CC(=O)CC(C)C Amb15693129 [1,1,0,0,0,0|1,0,1]=4 968 B10R0.44 COC(=O)CC(C)CC(=O)O Amb2689808 [1,1,0,0,0,0|1,0,1]=4 969 B10R0.44 COC(=O)CC(C)CC(C)=O Amb32668276 [1,1,0,0,0,0|1,0,1]=4 970 B10R0.44 COC(=O)CC(N)CC(C)C Amb18830329 [1,1,0,0,0,0|0,0,0]=2 971 B10R0.44 COC(=O)CC(O)CC(C)C Amb33171598 [1,1,0,0,0,0|1,0,0]=3 972 B10R0.44 COC(=O)CN(C)CC(C)O Amb18788067 [1,1,0,0,0,0|2,0,0]=4 973 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33621255 [1,1,0,0,0,0|1,0,1]=4 974 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O Amb33747103 [1,1,0,0,0,0|1,0,1]=4 975 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Amb33163986 [1,1,0,0,0,0|0,0,0]=2 976 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Amb33329083 [1,1,0,0,0,0|0,0,0]=2 977 B10R0.44 COC(=O)C[C@@H](O)CC(C)C Amb32953664 [1,1,0,0,0,0|1,0,0]=3 978 B10R0.44 COC(=O)C[C@H](N)CC(C)C Amb33329288 [1,1,0,0,0,0|0,0,0]=2 979 B10R0.44 COC(=O)C[C@H](N)CC(C)C Amb33329289 [1,1,0,0,0,0|0,0,0]=2 980 B10R0.44 COC(=O)C[C@H](O)CC(C)C Amb33448899 [1,1,0,0,0,0|1,0,0]=3 981 B10R0.44 COC(=O)NC(C)CC(C)N Amb27818476 [1,1,0,0,0,0|2,0,0]=4 982 B10R0.44 COC(=O)NC(C)CC(C)O Amb27818477 [1,1,0,0,0,0|2,0,0]=4 983 B10R0.44 COC(=O)NC(C)CN(C)C Amb28387565 [1,1,0,0,0,0|2,0,0]=4 984 B10R0.44 COC(=O)N[C@@H](C)CN(C)C Amb27671276 [1,1,0,0,0,0|2,0,0]=4 985 B10R0.44 COC(=O)N[C@@H](C)C[C@H](C)S Amb27673453 [1,1,0,0,0,0|2,0,0]=4 986 B10R0.44 COC(=O)N[C@H](C)CN(C)C Amb27671277 [1,1,0,0,0,0|2,0,0]=4 987 B10R0.44 COC(=O)\C=C(/C)CC(C)C Amb33472113 [1,1,0,0,0,0|0,0,2]=4 988 B10R0.44 COC(=O)\C=C(\C)CC(C)C Amb27269555 [1,1,0,0,0,0|0,0,2]=4 989 B10R0.44 C\C(=C\[C@H](C)CC(C)C)CO Amb27989697 [1,1,0,0,0,0|1,0,1]=4 990 B10R0.165 CC(=O)CC(C)(C)CC(=O)O Amb9782556 [1,1,0,0,0,0|1,0,1]=4 991 B10R0.165 CC(=O)CC(C)(C)CN(C)C Amb28080311 [1,1,0,0,0,0|2,0,0]=4 992 B10R0.165 CC(=O)CC(C)(O)CC(C)C Amb28080313 [1,1,0,0,0,0|1,0,0]=3 993 B10R0.165 CC(C)(CC(=O)O)CC(F)F Amb32676809 [1,1,0,0,0,0|2,0,0]=4 994 B10R0.165 CC(C)CC(C)(C)CC(=O)O Amb26998836 [1,1,0,0,0,0|0,0,0]=2 995 B10R0.165 CC(C)CC(C)(N)CC(=O)O Amb28387361 [1,1,0,0,0,0|0,0,0]=2 996 B10R0.165 CC(C)CC(C)(N)CC(=O)O Amb32680407 [1,1,0,0,0,0|0,0,0]=2 997 B10R0.165 CC(C)CC(C)(N)CC(N)=O Amb33255545 [1,1,0,0,0,0|1,0,0]=3 998 B10R0.165 CC(C)CC(C)(O)CC(=O)O Amb18310712 [1,1,0,0,0,0|0,0,0]=2 999 B10R0.165 CC(C)CC(C)(O)CC(C)O Amb27673884 [1,1,0,0,0,0|1,0,1]=4 1000 B10R0.165 CC(C)CC(C)(O)C[C@H](C)O Amb27989586 [1,1,0,0,0,0|1,0,1]=4 1001 B10R0.165 CC(C)CC(F)(F)CC(=O)O Amb33399664 [1,1,0,0,0,0|1,0,0]=3 1002 B10R0.165 CC(C)CS(=O)(=O)CC(=O)O Amb6264344 [1,1,0,0,0,0|2,0,0]=4 1003 B10R0.165 CN(C)CC(C)(C)CC(=O)O Amb24116873 [1,1,0,0,0,0|1,0,0]=3 1004 B10R0.165 CN(C)CC(F)(F)CC(=O)O Amb33347078 [1,1,0,0,0,0|2,0,0]=4 1005 B10R0.53 C=C(C)C(CN)CC(=O)OC Amb33199521 [0,1,0,0,1,0|0,0,2]=4 1006 B10R0.53 C=CC(=O)NC(CN)C(C)C Amb27269868 [0,1,0,0,1,0|2,0,0]=4 1007 B10R0.53 CCC(=O)NC(CN)C(C)C Amb27269864 [0,1,0,0,1,0|2,0,0]=4 1008 B10R0.53 CCC(C)CC(OC)C(=O)O Amb33227722 [0,1,0,0,1,0|2,0,0]=4 1009 B10R0.53 CCC(C)CC(ON)C(=O)O Amb32660232 [0,1,0,0,1,0|1,0,0]=3 1010 B10R0.53 CCC(CC(=O)NC)C(C)C Amb27270616 [0,1,0,0,1,0|2,0,0]=4 1011 B10R0.53 CCC(CC(=O)NO)C(C)C Amb27270277 [0,1,0,0,1,0|1,0,0]=3 1012 B10R0.53 CCC(NC(=O)CO)C(C)C Amb28352080 [0,1,0,0,1,0|2,0,0]=4 1013 B10R0.53 CCC(NC(=O)OC)C(C)C Amb28387490 [0,1,0,0,1,0|2,0,0]=4 1014 B10R0.53 COC(=O)CC(CN)C(C)C Amb33474684 [0,1,0,0,1,0|0,0,0]=2 1015 B10R0.53 COC(=O)CC(CN)C(F)F Amb33726903 [0,1,0,0,1,0|2,0,0]=4 1016 B10R0.53 COC(=O)NC(CN)C(C)C Amb27987116 [0,1,0,0,1,0|1,0,0]=3 1017 B10R0.53 COC(=O)NC(CO)C(C)C Amb27271084 [0,1,0,0,1,0|2,0,0]=4 1018 B10R0.53 COC(=O)N[C@H](CO)C(C)C Amb27271088 [0,1,0,0,1,0|2,0,0]=4 1019 B10R0.76 C#CC(C(C)C)C(C)C(=O)O Amb27607900 [0,1,0,0,1,0|1,0,1]=4 1020 B10R0.76 C=C(C)C(F)C(CN)C(C)C Amb27271077 [0,1,0,0,1,0|2,0,0]=4 1021 B10R0.76 C=C(C)C(O)C(CN)C(C)C Amb27271067 [0,1,0,0,1,0|2,0,0]=4 1022 B10R0.76 CC(C)C(C)C(C#N)C(=O)O Amb27645908 [0,1,0,0,1,0|0,0,2]=4 1023 B10R0.76 CC(C)C(C)C(CN)C(=O)O Amb27670369 [0,1,0,0,1,0|0,0,0]=2 1024 B10R0.76 CC(C)S(=O)C(CN)C(=O)O Amb28387353 [0,1,0,0,1,0|1,0,0]=3 1025 B10R0.76 CCC(C(=O)O)C(C)C(C)O Amb27990210 [0,1,0,0,1,0|2,0,0]=4 1026 B10R0.76 CCC(C(=O)O)C(N)C(C)C Amb33036370 [0,1,0,0,1,0|1,0,0]=3 1027 B10R0.76 CCC(C(=O)O)C(O)C(C)C Amb18315393 [0,1,0,0,1,0|1,0,0]=3 1028 B10R0.76 CCC(C(=O)O)N(N)C(C)C Amb27990223 [0,1,0,0,1,0|2,0,0]=4 1029 B10R0.76 CCC(C(=O)O)S(=O)C(C)C Amb19012106 [0,1,0,0,1,0|2,0,0]=4 1030 B10R0.76 CCC(C(C)C)C(C)C(=O)O Amb24761781 [0,1,0,0,1,0|1,0,0]=3 1031 B10R0.76 CCC(C(C)C)C(N)C(=O)O Amb27674221 [0,1,0,0,1,0|1,0,0]=3 1032 B10R0.76 CCC(C(C)C)C(O)C(=O)O Amb27492040 [0,1,0,0,1,0|1,0,0]=3 1033 B10R0.76 CCC(C(C)C)[C@@H](C)C(=O)O Amb33743247 [0,1,0,0,1,0|1,0,0]=3 1034 B10R0.76 CCC(C(C)C)[C@H](C)C(=O)O Amb33749073 [0,1,0,0,1,0|1,0,0]=3 1035 B10R0.76 CC[C@H](C(C)=O)[C@@H](O)C(C)C Amb27672520 [0,1,0,0,1,0|2,0,0]=4 1036 B10R0.76 CNC(C(=O)O)C(C)C(C)C Amb27990211 [0,1,0,0,1,0|2,0,0]=4 1037 B10R0.76 COC(C(=O)O)C(C)C(C)C Amb28387308 [0,1,0,0,1,0|2,0,0]=4 1038 B10R0.95 CC(C)(C)CC(CN)C(=O)O Amb18830322 [0,1,0,0,1,0|0,0,0]=2 1039 B10R0.95 CC(C)(C)CC(CN)C(N)=O Amb27670857 [0,1,0,0,1,0|1,0,0]=3 1040 B10R0.95 CC(C)(C)CC(CO)C(=O)O Amb27272417 [0,1,0,0,1,0|1,0,0]=3 1041 B10R0.95 CC(C)(C)CC(NN)C(N)=O Amb27272393 [0,1,0,0,1,0|2,0,0]=4 1042 B10R0.95 CC(C)(C)N[C@H](CS)C(=O)O Amb27272307 [0,1,0,0,1,0|2,0,0]=4 1043 B10R0.95 CC(C)(C)OC(CN)C(=O)O Amb27818388 [0,1,0,0,1,0|1,0,0]=3 1044 B10R0.95 CC(C)(O)CC(C#N)C(=O)O Amb35741608 [0,1,0,0,1,0|0,0,2]=4 1045 B10R0.95 CC(C)C(CN)CS(=O)(=O)F Amb33463883 [0,1,0,0,1,0|1,0,1]=4 1046 B10R0.95 CC(C)C(CN)CS(C)(=O)=O Amb28079656 [0,1,0,0,1,0|1,0,1]=4 1047 B10R0.95 CCC(CC(C)(C)C)C(=O)O Amb18645099 [0,1,0,0,1,0|1,0,0]=3 1048 B10R0.95 CCC(CC(C)(C)O)C(=O)O Amb27986522 [0,1,0,0,1,0|1,0,0]=3 1049 B10R0.95 CCC(CC(C)(C)O)C(C)=O Amb27670919 [0,1,0,0,1,0|2,0,0]=4 1050 B10R0.95 CNC(CC(C)(C)C)C(=O)O Amb18315672 [0,1,0,0,1,0|2,0,0]=4 1051 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O Amb33717227 [0,1,0,0,1,0|2,0,0]=4 1052 B10R0.95 CN[C@@H](CC(C)(C)O)C(=O)O Amb27271138 [0,1,0,0,1,0|2,0,0]=4 1053 B10R0.95 COC(CC(C)(C)C)C(=O)O Amb24750716 [0,1,0,0,1,0|2,0,0]=4 1054 B10R0.95 COC(CC(C)(C)F)C(=O)O Amb33271831 [0,1,0,0,1,0|2,0,0]=4 1055 B10R0.95 CS(=O)(=O)CC(CN)C(=O)O Amb33055761 [0,1,0,0,1,0|2,0,0]=4 1056 B10R0.95 NCC(CC(F)(F)F)C(=O)O Amb18198728 [0,1,0,0,1,0|2,0,0]=4 1057 B10R0.119 C=C[C@@](C)(CC(C)C)C(=O)O Amb27990158 [0,1,0,0,1,0|1,0,1]=4 1058 B10R0.119 CC(=O)NC(C)(CN)C(C)C Amb27823387 [0,1,0,0,1,0|2,0,0]=4 1059 B10R0.119 CC(C)C(C)(CN)CC(=O)O Amb27671054 [0,1,0,0,1,0|0,0,0]=2 1060 B10R0.119 CC(C)CC(C)(CN)C(=O)O Amb24755658 [0,1,0,0,1,0|0,0,0]=2 1061 B10R0.119 CC(C)CC(C)(CN)C(=O)O Amb30584803 [0,1,0,0,1,0|0,0,0]=2 1062 B10R0.119 CC(C)CC(N)(CN)C(=O)O Amb26999848 [0,1,0,0,1,0|0,0,0]=2 1063 B10R0.119 CC(C)C[C@@](N)(CN)C(=O)O Amb24763012 [0,1,0,0,1,0|0,0,0]=2 1064 B10R0.119 CC(C)C[C@@](N)(CO)C(=O)O Amb26659554 [0,1,0,0,1,0|1,0,0]=3 1065 B10R0.119 CC(C)NC(C)(CO)C(=O)O Amb27269507 [0,1,0,0,1,0|2,0,0]=4 1066 B10R0.119 CC(O)CC(C)(CN)C(=O)O Amb27269213 [0,1,0,0,1,0|1,0,0]=3 1067 B10R0.119 CCC(C)(CC(=O)O)C(C)N Amb26069641 [0,1,0,0,1,0|2,0,0]=4 1068 B10R0.119 CCC(C)(CC(C)=O)C(C)C Amb27672694 [0,1,0,0,1,0|2,0,0]=4 1069 B10R0.119 CCC(C)(CC(C)O)C(=O)O Amb27670929 [0,1,0,0,1,0|2,0,0]=4 1070 B10R0.119 CCC(N)(CC(=O)O)C(C)C Amb33255179 [0,1,0,0,1,0|1,0,0]=3 1071 B10R0.119 CCC(N)(CC(N)=O)C(C)C Amb33254101 [0,1,0,0,1,0|2,0,0]=4 1072 B10R0.119 CCC(O)(CC(=O)O)C(C)N Amb33036412 [0,1,0,0,1,0|2,0,0]=4 1073 B10R0.119 CCC(S)(CC(C)C)C(=O)O Amb18127667 [0,1,0,0,1,0|1,0,0]=3 1074 B10R0.119 CC[C@](C)(CC(C)C)C(=O)O Amb27990154 [0,1,0,0,1,0|1,0,0]=3 1075 B10R0.119 CNC(C)(CC(=O)O)C(C)C Amb27492611 [0,1,0,0,1,0|2,0,0]=4 1076 B10R0.119 NCC(O)(CC(=O)O)C(F)F Amb7970139 [0,1,0,0,1,0|2,0,0]=4 1077 B10R0.138 CC(=O)O[C@@H](CN)C(C)(C)C Amb28388098 [0,1,0,0,1,0|2,0,0]=4 1078 B10R0.138 CC(C)(C)C(CN)CC(=O)O Amb22546301 [0,1,0,0,1,0|0,0,0]=2 1079 B10R0.138 CC(C)(C)C(CN)CC(=O)O Amb27001405 [0,1,0,0,1,0|0,0,0]=2 1080 B10R0.138 CC(C)(C)C(CN)CC(N)=O Amb27989316 [0,1,0,0,1,0|1,0,0]=3 1081 B10R0.138 CC(C)(C)C(CN)NC(N)=O Amb18908578 [0,1,0,0,1,0|2,0,0]=4 1082 B10R0.138 CC(C)(F)C(CN)CC(=O)O Amb33273015 [0,1,0,0,1,0|0,0,0]=2 1083 B10R0.138 CC(C)CC(CN)S(C)(=O)=O Amb18824608 [0,1,0,0,1,0|1,0,1]=4 1084 B10R0.138 CC(F)(F)C(CN)CC(=O)O Amb32810099 [0,1,0,0,1,0|1,0,0]=3 1085 B10R0.138 CCC(CC(=O)O)C(C)(C)C Amb27000213 [0,1,0,0,1,0|1,0,0]=3 1086 B10R0.138 CCC(CC(C)=O)C(C)(C)C Amb27672327 [0,1,0,0,1,0|2,0,0]=4 1087 B10R0.138 CNC(CC(=O)O)C(C)(C)C Amb27492610 [0,1,0,0,1,0|2,0,0]=4 1088 B10R0.138 CS(=O)CC(CN)C(C)(C)C Amb28079655 [0,1,0,0,1,0|2,0,0]=4 1089 B10R0.138 NCC(CC(=O)O)C(F)(F)F Amb23454902 [0,1,0,0,1,0|2,0,0]=4 1090 B10R0.138 NCC(CC(=O)O)C(F)(F)F Amb28652941 [0,1,0,0,1,0|2,0,0]=4 1091 B10R0.162 CC(=O)C(CC(=O)O)C(C)C Amb27990011 [0,1,0,0,1,0|1,0,1]=4 1092 B10R0.162 CC(=O)C(CC(C)C)C(N)=O Amb27990242 [0,1,0,0,1,0|1,0,1]=4 1093 B10R0.162 CC(=O)CC(C(C)C)C(C)C Amb27673717 [0,1,0,0,1,0|2,0,0]=4 1094 B10R0.162 CC(=O)[C@@H](CC(=O)O)C(C)C Amb27990157 [0,1,0,0,1,0|1,0,1]=4 1095 B10R0.162 CC(=O)[C@@H](CC(C)C)[C@@H](C)O Amb27269964 [0,1,0,0,1,0|2,0,0]=4 1096 B10R0.162 CC(=O)[C@@H](CC(C)C)[C@H](C)O Amb27672477 [0,1,0,0,1,0|2,0,0]=4 1097 B10R0.162 CC(=O)[C@H](CC(C)C)[C@@H](C)O Amb27269965 [0,1,0,0,1,0|2,0,0]=4 1098 B10R0.162 CC(=O)[C@H](CC(C)C)[C@H](C)O Amb27672215 [0,1,0,0,1,0|2,0,0]=4 1099 B10R0.162 CC(C)C(CC(=O)O)C(=O)O Amb18645268 [0,1,0,0,1,0|1,0,1]=4 1100 B10R0.162 CC(C)C(CC(=O)O)C(C)N Amb27990218 [0,1,0,0,1,0|0,0,0]=2 1101 B10R0.162 CC(C)C(CC(=O)O)C(F)F Amb33337719 [0,1,0,0,1,0|1,0,0]=3 1102 B10R0.162 CC(C)CC(C(=O)O)C(=O)O Amb17593992 [0,1,0,0,1,0|1,0,1]=4 1103 B10R0.162 CC(C)CC(C(=O)O)C(C)C Amb19009627 [0,1,0,0,1,0|1,0,0]=3 1104 B10R0.162 CC(C)CC(C(=O)O)C(C)N Amb33036344 [0,1,0,0,1,0|0,0,0]=2 1105 B10R0.162 CC(C)CC(C(=O)O)C(C)O Amb27990208 [0,1,0,0,1,0|1,0,0]=3 1106 B10R0.162 CC(C)CC(C(=O)O)N(C)N Amb27990222 [0,1,0,0,1,0|1,0,0]=3 1107 B10R0.162 CC(C)CC(C(N)=O)C(=O)O Amb25386201 [0,1,0,0,1,0|0,0,1]=3 1108 B10R0.162 CC(C)CC(C(N)=O)C(=O)[O-] Amb32663336 [0,1,0,0,1,0|0,0,2]=4 1109 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C Amb26659287 [0,1,0,0,1,0|2,0,0]=4 1110 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C Amb34913644 [0,1,0,0,1,0|2,0,0]=4 1111 B10R0.162 CC(C)N(CC(=O)O)C(C)C Amb5380768 [0,1,0,0,1,0|2,0,0]=4 1112 B10R0.162 CC(C)NC(C(=O)O)C(C)C Amb10199872 [0,1,0,0,1,0|2,0,0]=4 1113 B10R0.162 CC(C)NC(C(=O)O)C(C)C Amb1110617 [0,1,0,0,1,0|2,0,0]=4 1114 B10R0.162 CC(C)NC(C(=O)O)C(C)O Amb28079679 [0,1,0,0,1,0|2,0,0]=4 1115 B10R0.162 CC(C)SC(C(=O)O)C(C)C Amb18303983 [0,1,0,0,1,0|2,0,0]=4 1116 B10R0.162 CC(O)CC(C(=O)O)C(C)C Amb27986528 [0,1,0,0,1,0|2,0,0]=4 1117 B12R0.52 C#CCN(CCC(=O)O)CC(C)C Amb18616784 [0,1,0,0,0,1|2,0,0]=4 1118 B12R0.52 C=CCN(CCC(=O)O)CC(C)C Amb18616059 [0,1,0,0,0,1|2,0,0]=4 1119 B12R0.52 CC(C)CCC(CC(=O)O)NC=O Amb32787762 [0,1,0,0,0,1|1,0,1]=4 1120 B12R0.52 CC(C)OCC(CCN)CC(=O)O Amb32654956 [0,1,0,0,0,1|0,0,0]=2 1121 B12R0.52 CCCN(CCC(=O)O)CC(C)C Amb18616033 [0,1,0,0,0,1|2,0,0]=4 1122 B12R0.138 CC(=O)C(CC(=O)O)NCC(C)C Amb18611356 [0,1,0,0,0,1|1,0,1]=4 1123 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O Amb20668896 [0,1,0,0,0,1|1,0,1]=4 1124 B12R0.138 CC(C)OCC(CC(=O)O)C(=O)O Amb33274071 [0,1,0,0,0,1|1,0,1]=4 1125 B12R0.154 COC(=O)CC(CN)CCN(C)C Amb33271966 [0,1,0,0,0,1|1,0,0]=3 1126 B12R0.154 COC(=O)CC(CN)COC(C)C Amb33274112 [0,1,0,0,0,1|0,0,0]=2 1127 B12R0.322 CCC(C#CC(=O)OC)CC(C)C Amb33168900 [0,1,0,0,0,1|1,0,1]=4 1128 B12R0.347 CC(C)CCC(O)(CN)CC(=O)O Amb33346962 [0,1,0,0,0,1|0,0,0]=2 1129 B12R0.665 CC(C)(C)OCC(CN)CC(=O)O Amb33326260 [0,1,0,0,0,1|0,0,0]=2 1130 B12R0.665 CC(C)CC(CN)CCS(=O)(=O)F Amb33463967 [0,1,0,0,0,1|1,0,1]=4 1131 B12R0.393 CC(C)(C)CC(CC(=O)O)C(=O)O Amb26304265 [0,2,0,0,0,0|1,0,1]=4 1132 B12R0.694 CC(C)CC(O)(CC(=O)O)C(=O)O Amb33346920 [0,2,0,0,0,0|1,0,1]=4 1133 B12R0.41 CC(=O)NC(CC(=O)O)CC(C)C Amb32787590 [0,2,0,0,0,0|1,0,1]=4 1134 B12R0.41 CC(C)CC(CC(=O)O)CC(=O)O Amb16232082 [0,2,0,0,0,0|1,0,0]=3 1135 B12R0.41 CC(C)CC(CC(N)=O)CC(=O)O Amb8396102 [0,2,0,0,0,0|0,0,0]=2 1136 B12R0.41 CC(C)C[C@@H](CC(N)=O)CC(=O)O Amb22388610 [0,2,0,0,0,0|0,0,0]=2 1137 B12R0.41 CC(C)C[C@H](CC(N)=O)CC(=O)O Amb8383405 [0,2,0,0,0,0|0,0,0]=2 1138 B12R0.53 CC(C)C(C)C(CC(=O)O)NC=O Amb33254421 [0,2,0,0,0,0|1,0,1]=4 1139 B12R0.53 CC(C)C(C)[C@@H](CC(=O)O)NC=O Amb33308160 [0,2,0,0,0,0|1,0,1]=4 1140 B12R0.53 CC(C)C(C)[C@H](CC(=O)O)NC=O Amb33255936 [0,2,0,0,0,0|1,0,1]=4 1141 B12R0.242 CC(C)C[C@H](CN=C=O)CC(=O)O Amb33471394 [0,2,0,0,0,0|0,0,1]=3 1142 B12R0.242 CC(C)C[C@H](CN=C=S)CC(=O)O Amb33471628 [0,2,0,0,0,0|0,0,1]=3 1143 B12R0.242 CC(C)C[C@H](CNC=O)CC(=O)O Amb33741691 [0,2,0,0,0,0|0,0,0]=2 1144 B12R0.271 CC(C)CC(C)(CC(=O)O)NC=O Amb32787348 [0,2,0,0,0,0|1,0,1]=4 1145 B12R0.398 CC(C)(C)CC(CC(=O)O)N=C=O Amb33471432 [0,2,0,0,0,0|1,0,1]=4 1146 B12R0.398 CC(C)(C)CC(CC(=O)O)N=C=S Amb33471669 [0,2,0,0,0,0|1,0,1]=4 1147 B12R0.398 CC(C)(C)CC(CC(=O)O)NC=O Amb32787443 [0,2,0,0,0,0|1,0,1]=4 1148 B12R0.399 CCC(C)CC(CC(=O)O)NC=O Amb33255471 [0,2,0,0,0,0|1,0,1]=4 1149 B12R0.18 CCOC(=O)CC(CN)CC(C)C Amb32664991 [0,2,0,0,0,0|0,0,0]=2 1150 B12R0.18 CCOC(=O)CC(CN)CC(C)C Amb32664992 [0,2,0,0,0,0|0,0,0]=2 1151 B12R0.18 CCOC(=O)C[C@@H](CN)CC(C)C Amb32664700 [0,2,0,0,0,0|0,0,0]=2 1152 B12R0.18 CCOC(=O)C[C@@H](CN)CC(C)C Amb32664706 [0,2,0,0,0,0|0,0,0]=2 1153 B12R0.18 CCOC(=O)NC(CN)CC(C)C Amb7969509 [0,2,0,0,0,0|1,0,0]=3 1154 B12R0.463 COC(=O)CC(CN)CC(C)(C)C Amb33449815 [0,2,0,0,0,0|0,0,0]=2 1155 B12R0.480 CCC(C)CC(N)(CC)CC(=O)O Amb33255402 [0,2,0,0,0,0|1,0,0]=3 1156 B12R0.480 CCC(C)CC(N)(CC)CC(N)=O Amb32787861 [0,2,0,0,0,0|2,0,0]=4 1157 B12R0.480 CCC(C)CC(O)(CN)CC(=O)O Amb33346966 [0,2,0,0,0,0|0,0,0]=2 1158 B12R0.630 COC(C)(C)CC(CN)CC(=O)O Amb33448744 [0,2,0,0,0,0|0,0,0]=2 1159 B12R0.348 CCC(C)(CC(=O)O)C(N)C(C)C Amb32584063 [0,2,0,0,0,0|1,0,0]=3 1160 B12R0.764 CC(C)(C)CC(O)(CN)CC(=O)O Amb33346955 [0,2,0,0,0,0|0,0,0]=2 1161 B10R1.8 C=CC1CC(=O)C[C@@H](C)C1 Amb28322113 [1,0,0,1,0,0|1,0,1]=4 1162 B10R1.8 CC1=CC(C)CC(CN)C1 Amb28289702 [1,0,0,1,0,0|1,0,1]=4 1163 B10R1.8 CC1CC(=O)NC(CCl)C1 Amb28320276 [1,0,0,1,0,0|2,0,0]=4 1164 B10R1.8 CC1CC(C)CC(CN)C1 Amb25274571 [1,0,0,1,0,0|1,0,1]=4 1165 B10R1.8 CC1CC(C)CC(CN)C1 Amb32666981 [1,0,0,1,0,0|1,0,1]=4 1166 B10R1.8 CC1CC(CN)CC(=O)N1 Amb24603209 [1,0,0,1,0,0|1,0,0]=3 1167 B10R1.8 CC1CC(CN)CC(=O)N1 Amb28921003 [1,0,0,1,0,0|1,0,0]=3 1168 B10R1.8 CC1CC(CN)CC(C)O1 Amb26987135 [1,0,0,1,0,0|1,0,1]=4 1169 B10R1.8 CC1CC(O)CC(CO)C1 Amb27220532 [1,0,0,1,0,0|1,0,1]=4 1170 B10R1.8 CCC1CC(=O)CC(C)S1 Amb27763367 [1,0,0,1,0,0|2,0,0]=4 1171 B10R1.8 CCC1CC(=O)C[C@@H](C)C1 Amb27828855 [1,0,0,1,0,0|1,0,0]=3 1172 B10R1.8 CCC1CC(C)CC(=O)N1 Amb28434462 [1,0,0,1,0,0|2,0,0]=4 1173 B10R1.8 CCN1CC(=O)O[C@@H](C)C1 Amb25350741 [1,0,0,1,0,0|2,0,0]=4 1174 B10R1.8 C[C@@H]1CC(=O)N[C@H](CO)C1 Amb27852055 [1,0,0,1,0,0|2,0,0]=4 1175 B10R1.8 C[C@@H]1CC(=O)OC(CO)C1 Amb28050730 [1,0,0,1,0,0|2,0,0]=4 1176 B10R1.8 C[C@H]1CC(=O)O[C@@H](CO)C1 Amb27443272 [1,0,0,1,0,0|2,0,0]=4 1177 B10R1.8 C[C@H]1CC(CN)C[C@@H](C)O1 Amb27621649 [1,0,0,1,0,0|1,0,1]=4 1178 B10R1.8 C[C@H]1C[C@H](CO)NC(=O)O1 Amb27468686 [1,0,0,1,0,0|2,0,0]=4 1179 B10R1.10 CC1C=CCC(CC=O)C1 Amb27617167 [1,0,0,1,0,0|1,0,1]=4 1180 B10R1.10 CC1CC(CC=O)CCO1 Amb27263707 [1,0,0,1,0,0|2,0,0]=4 1181 B10R1.10 CC1CC=CC(CC=O)C1 Amb28461196 [1,0,0,1,0,0|1,0,1]=4 1182 B10R1.10 CC1CCCC(CCO)C1 Amb20667855 [1,0,0,1,0,0|1,0,1]=4 1183 B10R1.10 CC1CCCC(NC=O)C1 Amb28128406 [1,0,0,1,0,0|2,0,0]=4 1184 B10R1.10 CC1CCCN(CC=O)C1 Amb27486952 [1,0,0,1,0,0|2,0,0]=4 1185 B10R1.10 CC1CCC[C@H](CC=O)O1 Amb27617155 [1,0,0,1,0,0|2,0,0]=4 1186 B10R1.10 CCCC1CCCC(=O)C1 Amb22754799 [1,0,0,1,0,0|2,0,0]=4 1187 B10R1.10 CCCC1CCNC(=O)C1 Amb26026704 [1,0,0,1,0,0|2,0,0]=4 1188 B10R1.10 CCCC1CNCC(=O)N1 Amb27953604 [1,0,0,1,0,0|2,0,0]=4 1189 B10R1.10 CCC[C@H]1CCCC(=O)C1 Amb27436290 [1,0,0,1,0,0|2,0,0]=4 1190 B10R1.10 CNCC1CNCC(C)C1 Amb27787214 [1,0,0,1,0,0|2,0,0]=4 1191 B10R1.10 C[C@@H]1CC=C[C@@H](CC=O)C1 Amb28198639 [1,0,0,1,0,0|1,0,1]=4 1192 B10R1.10 C[C@@H]1CCCC(CC=O)C1 Amb27491469 [1,0,0,1,0,0|1,0,0]=3 1193 B10R1.10 C[C@@H]1CCC[C@@H](NC=O)C1 Amb27446983 [1,0,0,1,0,0|2,0,0]=4 1194 B10R1.10 C[C@H]1CCC[C@H](CC=O)O1 Amb28133358 [1,0,0,1,0,0|2,0,0]=4 1195 B10R1.18 C=C(C)CC1CCCNC1 Amb26406088 [1,0,0,1,0,0|2,0,0]=4 1196 B10R1.18 CC(=O)CC1CCCCC1 Amb4034580 [1,0,0,1,0,0|2,0,0]=4 1197 B10R1.18 CC(=O)CC1CCCNC1 Amb26047010 [1,0,0,1,0,0|1,0,0]=3 1198 B10R1.18 CC(=O)CC1CCCOC1 Amb26842438 [1,0,0,1,0,0|2,0,0]=4 1199 B10R1.18 CC(=O)CC1CCCSC1 Amb32726331 [1,0,0,1,0,0|2,0,0]=4 1200 B10R1.18 CC(=O)CC1CNCCO1 Amb18644007 [1,0,0,1,0,0|2,0,0]=4 1201 B10R1.18 CC(=O)NC1CCCNC1 Amb9713130 [1,0,0,1,0,0|2,0,0]=4 1202 B10R1.18 CC(=O)N[C@@H]1CCCNC1 Amb22225406 [1,0,0,1,0,0|2,0,0]=4 1203 B10R1.18 CC(=O)N[C@H]1CCCNC1 Amb19892549 [1,0,0,1,0,0|2,0,0]=4 1204 B10R1.18 CC(=O)N[C@H]1CCCNC1 Amb22226767 [1,0,0,1,0,0|2,0,0]=4 1205 B10R1.18 CC(=O)OC1CCCNC1 Amb21956163 [1,0,0,1,0,0|2,0,0]=4 1206 B10R1.18 CC(=O)OC1CCCNC1 Amb22011794 [1,0,0,1,0,0|2,0,0]=4 1207 B10R1.18 CC(=O)O[C@@H]1CCCNC1 Amb27196231 [1,0,0,1,0,0|2,0,0]=4 1208 B10R1.18 CC(=O)O[C@H]1CCCNC1 Amb28050160 [1,0,0,1,0,0|2,0,0]=4 1209 B10R1.18 CC(C)CC1CCCNC1 Amb18285001 [1,0,0,1,0,0|1,0,1]=4 1210 B10R1.18 CC(C)CC1CCCNC1 Amb33551804 [1,0,0,1,0,0|1,0,1]=4 1211 B10R1.18 CC(O)CC1CCCNC1 Amb27639981 [1,0,0,1,0,0|1,0,1]=4 1212 B10R1.18 N=C(N)CC1CCCNC1 Amb27850375 [1,0,0,1,0,0|2,0,0]=4 1213 B10R1.18 NC(=O)CC1CCCCC1 Amb33551594 [1,0,0,1,0,0|2,0,0]=4 1214 B10R1.18 NC(=O)CC1CCCNC1 Amb18962911 [1,0,0,1,0,0|1,0,0]=3 1215 B10R1.18 NC(=O)CC1CCCNC1 Amb20623575 [1,0,0,1,0,0|1,0,0]=3 1216 B10R1.18 NC(=O)CC1CNCCO1 Amb24581822 [1,0,0,1,0,0|2,0,0]=4 1217 B10R1.18 NC(=O)NC1CCCNC1 Amb10610114 [1,0,0,1,0,0|2,0,0]=4 1218 B10R1.18 NC(=O)NC1CCCNC1 Amb9714963 [1,0,0,1,0,0|2,0,0]=4 1219 B10R1.18 NC(=O)OC1CCCNC1 Amb23598270 [1,0,0,1,0,0|2,0,0]=4 1220 B10R1.18 NC(=O)O[C@H]1CCCNC1 Amb28068948 [1,0,0,1,0,0|2,0,0]=4 1221 B10R1.18 NC(=S)CC1CCCNC1 Amb27193215 [1,0,0,1,0,0|1,1,0]=4 1222 B10R1.18 O=C(Cl)CC1CCCCC1 Amb33528414 [1,0,0,1,0,0|2,0,0]=4 1223 B10R1.18 O=C(O)CC1C=CCCC1 Amb18124573 [1,0,0,1,0,0|1,0,1]=4 1224 B10R1.18 O=C(O)CC1CC=CCC1 Amb18643595 [1,0,0,1,0,0|1,0,1]=4 1225 B10R1.18 O=C(O)CC1CCCCC1 Amb3939015 [1,0,0,1,0,0|1,0,0]=3 1226 B10R1.18 O=C(O)CC1CCCCN1 Amb10576328 [1,0,0,1,0,0|2,0,0]=4 1227 B10R1.18 O=C(O)CC1CCCCN1 Amb1083025 [1,0,0,1,0,0|2,0,0]=4 1228 B10R1.18 O=C(O)CC1CCCCN1 Amb22587703 [1,0,0,1,0,0|2,0,0]=4 1229 B10R1.18 O=C(O)CC1CCCCO1 Amb1091980 [1,0,0,1,0,0|2,0,0]=4 1230 B10R1.18 O=C(O)CC1CCCNC1 Amb13952813 [1,0,0,1,0,0|0,0,0]=2 1231 B10R1.18 O=C(O)CC1CCCNC1 Amb2684000 [1,0,0,1,0,0|0,0,0]=2 1232 B10R1.18 O=C(O)CC1CCCOC1 Amb33544408 [1,0,0,1,0,0|1,0,0]=3 1233 B10R1.18 O=C(O)CC1CCCSC1 Amb18199274 [1,0,0,1,0,0|1,0,0]=3 1234 B10R1.18 O=C(O)CC1CCC[NH2+]C1 Amb2695000 [1,0,0,1,0,0|0,0,1]=3 1235 B10R1.18 O=C(O)CC1CCNCC1 Amb2683992 [1,0,0,1,0,0|2,0,0]=4 1236 B10R1.18 O=C(O)CC1CCNCC1 Amb33544417 [1,0,0,1,0,0|2,0,0]=4 1237 B10R1.18 O=C(O)CC1CCOCC1 Amb2684134 [1,0,0,1,0,0|2,0,0]=4 1238 B10R1.18 O=C(O)CC1CCSCC1 Amb18283322 [1,0,0,1,0,0|2,0,0]=4 1239 B10R1.18 O=C(O)CC1CNCCN1 Amb8630816 [1,0,0,1,0,0|1,0,0]=3 1240 B10R1.18 O=C(O)CC1CNCCO1 Amb21959647 [1,0,0,1,0,0|1,0,0]=3 1241 B10R1.18 O=C(O)CC1CNCCO1 Amb2695419 [1,0,0,1,0,0|1,0,0]=3 1242 B10R1.18 O=C(O)CC1CNCCS1 Amb27447972 [1,0,0,1,0,0|1,0,0]=3 1243 B10R1.18 O=C(O)CC1COCCN1 Amb21964558 [1,0,0,1,0,0|2,0,0]=4 1244 B10R1.18 O=C(O)CC1COCCN1 Amb2699908 [1,0,0,1,0,0|2,0,0]=4 1245 B10R1.18 O=C(O)CC1COCCO1 Amb17507064 [1,0,0,1,0,0|2,0,0]=4 1246 B10R1.18 O=C(O)CC1CSCCN1 Amb18199026 [1,0,0,1,0,0|2,0,0]=4 1247 B10R1.18 O=C(O)CC1CSCCO1 Amb27444857 [1,0,0,1,0,0|2,0,0]=4 1248 B10R1.18 O=C(O)CC1CSCCS1 Amb28068478 [1,0,0,1,0,0|2,0,0]=4 1249 B10R1.18 O=C(O)CN1CCCCC1 Amb1098973 [1,0,0,1,0,0|2,0,0]=4 1250 B10R1.18 O=C(O)CN1CCCCC1 Amb8503500 [1,0,0,1,0,0|2,0,0]=4 1251 B10R1.18 O=C(O)CN1CNCNC1 Amb27777592 [1,0,0,1,0,0|2,0,0]=4 1252 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 Amb25921210 [1,0,0,1,0,0|1,0,1]=4 1253 B10R1.18 O=C(O)C[C@@H]1CCCCN1 Amb13885774 [1,0,0,1,0,0|2,0,0]=4 1254 B10R1.18 O=C(O)C[C@@H]1CCCCN1 Amb33296463 [1,0,0,1,0,0|2,0,0]=4 1255 B10R1.18 O=C(O)C[C@@H]1CCCNC1 Amb25889983 [1,0,0,1,0,0|0,0,0]=2 1256 B10R1.18 O=C(O)C[C@@H]1CCCNC1 Amb32407008 [1,0,0,1,0,0|0,0,0]=2 1257 B10R1.18 O=C(O)C[C@@H]1CNCCO1 Amb22747184 [1,0,0,1,0,0|1,0,0]=3 1258 B10R1.18 O=C(O)C[C@@H]1COCCN1 Amb34913922 [1,0,0,1,0,0|2,0,0]=4 1259 B10R1.18 O=C(O)C[C@H]1CCCCN1 Amb13885779 [1,0,0,1,0,0|2,0,0]=4 1260 B10R1.18 O=C(O)C[C@H]1CCCCN1 Amb33456128 [1,0,0,1,0,0|2,0,0]=4 1261 B10R1.18 O=C(O)C[C@H]1CCCNC1 Amb23401360 [1,0,0,1,0,0|0,0,0]=2 1262 B10R1.18 O=C(O)C[C@H]1CCCNC1 Amb28077035 [1,0,0,1,0,0|0,0,0]=2 1263 B10R1.18 O=C(O)C[C@H]1CNCCO1 Amb27751203 [1,0,0,1,0,0|1,0,0]=3 1264 B10R1.18 O=C(O)C[C@H]1CNCCO1 Amb33801282 [1,0,0,1,0,0|1,0,0]=3 1265 B10R1.18 O=C(O)C[C@H]1COCCN1 Amb25992590 [1,0,0,1,0,0|2,0,0]=4 1266 B10R1.18 O=C(O)C[C@H]1COCCN1 Amb34913503 [1,0,0,1,0,0|2,0,0]=4 1267 B10R1.18 O=C(O)C[NH+]1CCCCC1 Amb4255653 [1,0,0,1,0,0|2,0,0]=4 1268 B10R1.18 O=C(O)NC1CCCCC1 Amb22039352 [1,0,0,1,0,0|2,0,0]=4 1269 B10R1.18 O=S(O)CC1CCCCC1 Amb27452532 [1,0,0,1,0,0|2,0,0]=4 1270 B10R1.18 O=S([O-])CC1CCCNC1 Amb32755509 [1,0,0,1,0,0|1,0,1]=4 1271 B10R1.18 O=[N+]([O-])CC1CCCNC1 Amb18831503 [1,0,0,1,0,0|1,0,1]=4 1272 B10R1.32 CCC1CC(=O)CC1CC Amb27617168 [1,0,0,1,0,0|2,0,0]=4 1273 B10R1.32 CCC1CC(C)CN1C=O Amb28056476 [1,0,0,1,0,0|2,0,0]=4 1274 B10R1.32 CCC1OC(=O)CC1CO Amb27220576 [1,0,0,1,0,0|1,0,0]=3 1275 B10R1.32 CCC1OC(=O)NC1CCl Amb27640746 [1,0,0,1,0,0|2,0,0]=4 1276 B10R1.32 CC[C@@H]1CC(=O)O[C@@H]1CO Amb28294265 [1,0,0,1,0,0|2,0,0]=4 1277 B10R1.32 CC[C@@H]1OC(=O)C[C@H]1CO Amb27794544 [1,0,0,1,0,0|1,0,0]=3 1278 B10R1.32 CC[C@H]1OC(=O)N[C@H]1CO Amb27849872 [1,0,0,1,0,0|2,0,0]=4 1279 B10R1.32 NNC1CC(=O)OC1CO Amb27828186 [1,0,0,1,0,0|2,0,0]=4 1280 B10R1.36 CC1(C)CC(CBr)NC1=O Amb26064045 [1,0,0,1,0,0|2,0,0]=4 1281 B10R1.36 CC1(C)CC(CBr)OC1=O Amb28071170 [1,0,0,1,0,0|2,0,0]=4 1282 B10R1.36 CC1(C)CC(CCl)OC1=O Amb27975825 [1,0,0,1,0,0|2,0,0]=4 1283 B10R1.36 CC1(C)CC(CO)CC1O Amb27651771 [1,0,0,1,0,0|1,0,1]=4 1284 B10R1.36 CC1(C)CC(CO)NC1=O Amb25721601 [1,0,0,1,0,0|2,0,0]=4 1285 B10R1.36 CC1(C)CC(CO)OC1=O Amb27978149 [1,0,0,1,0,0|2,0,0]=4 1286 B10R1.36 CC1(C)C[C@@H](CO)NC1=O Amb23399709 [1,0,0,1,0,0|2,0,0]=4 1287 B10R1.36 CC1(C)C[C@H](CO)NC1=O Amb25921199 [1,0,0,1,0,0|2,0,0]=4 1288 B10R1.36 CC1CC(CN)CS1(=O)=O Amb27642620 [1,0,0,1,0,0|1,0,1]=4 1289 B10R1.36 CC[C@@H]1CC(C)(C)C(=O)N1 Amb27164050 [1,0,0,1,0,0|2,0,0]=4 1290 B10R1.39 CC(=O)C1CCCC1CCl Amb28251128 [1,0,0,1,0,0|2,0,0]=4 1291 B10R1.39 CC(=O)C1CCCC1CN Amb25169358 [1,0,0,1,0,0|1,0,0]=3 1292 B10R1.39 CC(=O)C1OCCC1CN Amb33307786 [1,0,0,1,0,0|2,0,0]=4 1293 B10R1.39 CC(=O)N1CCCC1CN Amb18251238 [1,0,0,1,0,0|2,0,0]=4 1294 B10R1.39 CC(=O)N1CCCC1CN Amb20622612 [1,0,0,1,0,0|2,0,0]=4 1295 B10R1.39 CC(=O)N1CCC[C@@H]1CN Amb18016514 [1,0,0,1,0,0|2,0,0]=4 1296 B10R1.39 CC(=O)N1CCC[C@H]1CN Amb17046511 [1,0,0,1,0,0|2,0,0]=4 1297 B10R1.39 CC(=O)[C@@H]1CCC[C@@H]1CN Amb27243633 [1,0,0,1,0,0|1,0,0]=3 1298 B10R1.39 CC(=O)[C@@H]1OCC[C@@H]1CN Amb33307819 [1,0,0,1,0,0|2,0,0]=4 1299 B10R1.39 CC(C)C1CCCC1CN Amb28049506 [1,0,0,1,0,0|1,0,1]=4 1300 B10R1.39 CC(C)C1CNCC1CN Amb32753219 [1,0,0,1,0,0|2,0,0]=4 1301 B10R1.39 CC(C)C1OCCC1CN Amb20623876 [1,0,0,1,0,0|0,0,1]=3 1302 B10R1.39 CC(C)C1OCCC1CN Amb33446944 [1,0,0,1,0,0|0,0,1]=3 1303 B10R1.39 CC(C)[C@@H]1CNC[C@H]1CN Amb32672063 [1,0,0,1,0,0|2,0,0]=4 1304 B10R1.39 CC(C)[C@H]1OCC[C@H]1CO Amb27427895 [1,0,0,1,0,0|1,0,1]=4 1305 B10R1.39 CC(O)C1CCCC1CN Amb35622249 [1,0,0,1,0,0|1,0,1]=4 1306 B10R1.39 CC(O)C1CCC[C@@H]1CN Amb35740932 [1,0,0,1,0,0|1,0,1]=4 1307 B10R1.39 CCC1CCCC1C(=O)O Amb18643940 [1,0,0,1,0,0|1,0,0]=3 1308 B10R1.39 CCC1CCNC1C(=O)O Amb18644001 [1,0,0,1,0,0|2,0,0]=4 1309 B10R1.39 CCC1CCNC1C(=O)O Amb32932458 [1,0,0,1,0,0|2,0,0]=4 1310 B10R1.39 CCC1CCN[C@@H]1C(=O)O Amb27259157 [1,0,0,1,0,0|2,0,0]=4 1311 B10R1.39 CCC1CCOC1C(=O)O Amb32666976 [1,0,0,1,0,0|2,0,0]=4 1312 B10R1.39 CCC1CNCC1C(=O)O Amb18831583 [1,0,0,1,0,0|2,0,0]=4 1313 B10R1.39 CCC1NCCC1C(=O)O Amb18118150 [1,0,0,1,0,0|2,0,0]=4 1314 B10R1.39 CCC1NCCC1C(=O)O Amb28896015 [1,0,0,1,0,0|2,0,0]=4 1315 B10R1.39 CCC1OCCC1C(=O)O Amb27238092 [1,0,0,1,0,0|2,0,0]=4 1316 B10R1.39 CCN1CCCC1C(=O)O Amb9173743 [1,0,0,1,0,0|2,0,0]=4 1317 B10R1.39 CCN1CCC[C@@H]1C(=O)O Amb22587552 [1,0,0,1,0,0|2,0,0]=4 1318 B10R1.39 CCN1CCC[C@@H]1C(=O)O Amb23385271 [1,0,0,1,0,0|2,0,0]=4 1319 B10R1.39 CCN1CCC[C@H]1C(=O)O Amb19516987 [1,0,0,1,0,0|2,0,0]=4 1320 B10R1.39 CC[C@@H]1CCN[C@@H]1C(=O)O Amb27846259 [1,0,0,1,0,0|2,0,0]=4 1321 B10R1.39 CC[C@@H]1CCN[C@H]1C(=O)O Amb28428507 [1,0,0,1,0,0|2,0,0]=4 1322 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Amb32667304 [1,0,0,1,0,0|2,0,0]=4 1323 B10R1.39 CC[C@@H]1CNC[C@@H]1C(=O)O Amb28057536 [1,0,0,1,0,0|2,0,0]=4 1324 B10R1.39 CC[C@@H]1NCC[C@H]1C(=O)O Amb18202480 [1,0,0,1,0,0|2,0,0]=4 1325 B10R1.39 CC[C@@H]1OCC[C@H]1C(=O)O Amb32685282 [1,0,0,1,0,0|2,0,0]=4 1326 B10R1.39 CC[C@H]1CCC[C@@H]1C(N)=O Amb27786258 [1,0,0,1,0,0|2,0,0]=4 1327 B10R1.39 CC[C@H]1CCN[C@@H]1C(=O)O Amb28411335 [1,0,0,1,0,0|2,0,0]=4 1328 B10R1.39 CNC1CCCC1C(=O)O Amb26637848 [1,0,0,1,0,0|2,0,0]=4 1329 B10R1.39 COC1CCCC1C(=O)O Amb18967397 [1,0,0,1,0,0|2,0,0]=4 1330 B10R1.39 CO[C@@H]1CCC[C@@H]1C(=O)O Amb28203935 [1,0,0,1,0,0|2,0,0]=4 1331 B10R1.39 CO[C@H]1CCCC1C(=O)O Amb27947835 [1,0,0,1,0,0|2,0,0]=4 1332 B10R1.39 CO[C@H]1CCC[C@@H]1C(=O)O Amb25956783 [1,0,0,1,0,0|2,0,0]=4 1333 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O Amb26931198 [1,0,0,1,0,0|2,0,0]=4 1334 B10R1.39 CSC1CCCC1C(=O)O Amb18288540 [1,0,0,1,0,0|2,0,0]=4 1335 B10R1.39 N#C[C@H]1CCC[C@@H]1C(=O)O Amb27231107 [1,0,0,1,0,0|0,0,2]=4 1336 B10R1.39 NC(=O)[C@H]1CCC[C@H]1CO Amb27788752 [1,0,0,1,0,0|2,0,0]=4 1337 B10R1.39 NCC1CCCC1C(=O)O Amb25283657 [1,0,0,1,0,0|0,0,0]=2 1338 B10R1.39 NCC1CCCC1C(=O)O Amb32661245 [1,0,0,1,0,0|0,0,0]=2 1339 B10R1.39 NCC1CCCC1[N+](=O)[O-] Amb28051739 [1,0,0,1,0,0|1,0,1]=4 1340 B10R1.39 NCC1CCCN1C(N)=O Amb18251258 [1,0,0,1,0,0|2,0,0]=4 1341 B10R1.39 NCC1OCCC1C(=O)O Amb28145201 [1,0,0,1,0,0|1,0,0]=3 1342 B10R1.39 NCC1OCCC1C(=O)O Amb28920815 [1,0,0,1,0,0|1,0,0]=3 1343 B10R1.39 NCN1CCCC1C(=O)O Amb27838065 [1,0,0,1,0,0|1,0,0]=3 1344 B10R1.39 NC[C@@H]1CCCN1C(N)=O Amb35687978 [1,0,0,1,0,0|2,0,0]=4 1345 B10R1.39 NC[C@@H]1CCC[C@@H]1C(=O)O Amb26903999 [1,0,0,1,0,0|0,0,0]=2 1346 B10R1.39 NC[C@@H]1CCC[C@@H]1C(=O)O Amb33249753 [1,0,0,1,0,0|0,0,0]=2 1347 B10R1.39 NC[C@@H]1CCO[C@@H]1C(=O)O Amb32671492 [1,0,0,1,0,0|1,0,0]=3 1348 B10R1.39 NC[C@@H]1CCO[C@@H]1C(=O)O Amb32992350 [1,0,0,1,0,0|1,0,0]=3 1349 B10R1.39 NC[C@@H]1OCC[C@@H]1C(=O)O Amb27666152 [1,0,0,1,0,0|1,0,0]=3 1350 B10R1.39 NC[C@@H]1OCC[C@@H]1C(=O)O Amb32663319 [1,0,0,1,0,0|1,0,0]=3 1351 B10R1.39 NC[C@H]1CCCN1C(N)=O Amb35587848 [1,0,0,1,0,0|2,0,0]=4 1352 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Amb28293248 [1,0,0,1,0,0|0,0,0]=2 1353 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Amb28641946 [1,0,0,1,0,0|0,0,0]=2 1354 B10R1.39 NC[C@H]1CCC[C@H]1C(N)=O Amb27788090 [1,0,0,1,0,0|1,0,0]=3 1355 B10R1.39 O=C(O)C1CCCC1CBr Amb18130990 [1,0,0,1,0,0|1,0,0]=3 1356 B10R1.39 O=C(O)C1CCCC1CF Amb20668095 [1,0,0,1,0,0|1,0,0]=3 1357 B10R1.39 O=C(O)C1CCNC1CO Amb28195171 [1,0,0,1,0,0|2,0,0]=4 1358 B10R1.39 O=C(O)C1CCSC1CS Amb28422354 [1,0,0,1,0,0|2,0,0]=4 1359 B10R1.39 O=C(O)C1CNCC1CO Amb2696581 [1,0,0,1,0,0|2,0,0]=4 1360 B10R1.39 O=C(O)C1CSCC1CS Amb27872260 [1,0,0,1,0,0|2,0,0]=4 1361 B10R1.39 O=C(O)[C@@H]1CCC[C@H]1CF Amb32721623 [1,0,0,1,0,0|1,0,0]=3 1362 B10R1.39 O=C(O)[C@@H]1CCN[C@H]1CO Amb18202111 [1,0,0,1,0,0|2,0,0]=4 1363 B10R1.39 O=C(O)[C@H]1CCC[C@@H]1CBr Amb27435607 [1,0,0,1,0,0|1,0,0]=3 1364 B10R1.39 O=C[C@@H]1CCC[C@@H]1C(=O)O Amb27643790 [1,0,0,1,0,0|1,0,1]=4 1365 B10R1.48 C=CC1C(CC)C1C(=O)O Amb27768682 [1,0,0,1,0,0|1,0,1]=4 1366 B10R1.48 CCC1C(OC)C1C(=O)O Amb27172438 [1,0,0,1,0,0|2,0,0]=4 1367 B10R1.54 C=C(C)CC1CNC(=O)C1 Amb28074648 [1,0,0,1,0,0|0,0,2]=4 1368 B10R1.54 CC(=O)N[C@@H]1CN[C@H](C)C1 Amb28283640 [1,0,0,1,0,0|2,0,0]=4 1369 B10R1.54 CC(C)=CC1CNC(=O)C1 Amb27659162 [1,0,0,1,0,0|0,0,2]=4 1370 B10R1.54 CC(C)=C[C@@H]1CNC(=O)C1 Amb28341791 [1,0,0,1,0,0|0,0,2]=4 1371 B10R1.54 CC(C)CC1=NNC(=O)C1 Amb27595609 [1,0,0,1,0,0|1,0,1]=4 1372 B10R1.54 CC(C)CC1CC(=O)CO1 Amb35718942 [1,0,0,1,0,0|2,0,0]=4 1373 B10R1.54 CC(C)CC1CC(=O)NN1 Amb35701078 [1,0,0,1,0,0|1,0,0]=3 1374 B10R1.54 CC(C)CC1CCC(=O)C1 Amb25056572 [1,0,0,1,0,0|1,0,0]=3 1375 B10R1.54 CC(C)CC1CNC(=O)C1 Amb10608006 [1,0,0,1,0,0|0,0,0]=2 1376 B10R1.54 CC(C)CC1CNC(=O)N1 Amb17506856 [1,0,0,1,0,0|1,0,0]=3 1377 B10R1.54 CC(C)CC1CNC(=O)O1 Amb26541936 [1,0,0,1,0,0|1,0,0]=3 1378 B10R1.54 CC(C)CC1CNC(S)=N1 Amb25345850 [1,0,0,1,0,0|1,1,0]=4 1379 B10R1.54 CC(C)CC1COC(=O)C1 Amb27638023 [1,0,0,1,0,0|1,0,0]=3 1380 B10R1.54 CC(C)CC1COC(=O)N1 Amb25833011 [1,0,0,1,0,0|2,0,0]=4 1381 B10R1.54 CC(C)CC1CSC(=O)N1 Amb27752003 [1,0,0,1,0,0|2,0,0]=4 1382 B10R1.54 CC(C)C[C@@H]1CCC(=O)N1 Amb27425008 [1,0,0,1,0,0|2,0,0]=4 1383 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 Amb27166446 [1,0,0,1,0,0|0,0,0]=2 1384 B10R1.54 CC(C)C[C@@H]1CNC(=O)S1 Amb28047287 [1,0,0,1,0,0|1,0,0]=3 1385 B10R1.54 CC(C)C[C@@H]1COC(=O)C1 Amb8388939 [1,0,0,1,0,0|1,0,0]=3 1386 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 Amb22746691 [1,0,0,1,0,0|2,0,0]=4 1387 B10R1.54 CC(C)C[C@H]1CNC(=O)C1 Amb25117203 [1,0,0,1,0,0|0,0,0]=2 1388 B10R1.54 CC(C)C[C@H]1COC(=O)N1 Amb22226712 [1,0,0,1,0,0|2,0,0]=4 1389 B10R1.54 CC(C)C[C@H]1CSC(=O)N1 Amb28342380 [1,0,0,1,0,0|2,0,0]=4 1390 B10R1.54 CC(C)SC1CCC(=O)C1 Amb27839061 [1,0,0,1,0,0|2,0,0]=4 1391 B10R1.54 CC1=NC(CC(C)C)CN1 Amb35737156 [1,0,0,1,0,0|2,0,0]=4 1392 B10R1.54 CC1CC(CC(=O)O)CO1 Amb29866066 [1,0,0,1,0,0|1,0,0]=3 1393 B10R1.54 CC1CC(CC(=O)O)CS1 Amb28318997 [1,0,0,1,0,0|1,0,0]=3 1394 B10R1.54 CC1CC(NC(N)=O)CN1 Amb28410684 [1,0,0,1,0,0|2,0,0]=4 1395 B10R1.54 CC1CCC(CC(=O)O)C1 Amb18643912 [1,0,0,1,0,0|1,0,0]=3 1396 B10R1.54 CC1CCC(CC(=O)O)N1 Amb8387923 [1,0,0,1,0,0|2,0,0]=4 1397 B10R1.54 CC1CCC(CC(=O)O)O1 Amb24715878 [1,0,0,1,0,0|2,0,0]=4 1398 B10R1.54 CC1CCN(CC(=O)O)C1 Amb18281107 [1,0,0,1,0,0|2,0,0]=4 1399 B10R1.54 CC1CCN(CC(=O)O)C1 Amb28555433 [1,0,0,1,0,0|2,0,0]=4 1400 B10R1.54 CC1CNC(CC(=O)O)C1 Amb8387922 [1,0,0,1,0,0|2,0,0]=4 1401 B10R1.54 CC1NC(CC(=O)O)CS1 Amb32990251 [1,0,0,1,0,0|2,0,0]=4 1402 B10R1.54 CN(C)CC1CNC(=O)C1 Amb26508793 [1,0,0,1,0,0|1,0,0]=3 1403 B10R1.54 CN(C)CC1CNC(=O)C1 Amb33620522 [1,0,0,1,0,0|1,0,0]=3 1404 B10R1.54 CN1CCC(CC(=O)O)C1 Amb33550954 [1,0,0,1,0,0|2,0,0]=4 1405 B10R1.54 CN1CCC(CC(=O)O)C1 Amb8009899 [1,0,0,1,0,0|2,0,0]=4 1406 B10R1.54 C[C@@H]1CCC(CC(=O)O)C1 Amb27436927 [1,0,0,1,0,0|1,0,0]=3 1407 B10R1.54 C[C@@H]1CCC(CC(=O)O)O1 Amb33423873 [1,0,0,1,0,0|2,0,0]=4 1408 B10R1.54 C[C@@H]1CC[C@H](CC(=O)O)O1 Amb27969185 [1,0,0,1,0,0|2,0,0]=4 1409 B10R1.54 N[C@@H]1CC[C@@H](CC(=O)O)C1 Amb10066890 [1,0,0,1,0,0|2,0,0]=4 1410 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb10066892 [1,0,0,1,0,0|2,0,0]=4 1411 B10R1.54 N[C@@H]1CC[C@H](CC(=O)O)C1 Amb35745836 [1,0,0,1,0,0|2,0,0]=4 1412 B10R1.54 N[C@H]1CC[C@@H](CC(=O)O)C1 Amb10066912 [1,0,0,1,0,0|2,0,0]=4 1413 B10R1.54 O=C(O)CC1CCC(F)C1 Amb24679226 [1,0,0,1,0,0|2,0,0]=4 1414 B10R1.54 O=C(O)CC1CCC(O)C1 Amb33545095 [1,0,0,1,0,0|2,0,0]=4 1415 B10R1.54 O=C(O)CC1CNC(=O)C1 Amb18831602 [1,0,0,1,0,0|1,0,1]=4 1416 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Amb33716084 [1,0,0,1,0,0|2,0,0]=4 1417 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Amb27654242 [1,0,0,1,0,0|2,0,0]=4 1418 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Amb24410373 [1,0,0,1,0,0|1,0,1]=4 1419 B10R1.54 O=C(O)C[C@H]1CC[C@@H](O)C1 Amb28197757 [1,0,0,1,0,0|2,0,0]=4 1420 B10R1.54 O=C(O)C[C@H]1CC[C@H](O)C1 Amb27221654 [1,0,0,1,0,0|2,0,0]=4 1421 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Amb26611732 [1,0,0,1,0,0|1,0,1]=4 1422 B10R1.64 CC(=O)CC1CCCC1C Amb24480371 [1,0,0,1,0,0|2,0,0]=4 1423 B10R1.64 CC(=O)CC1CCCC1N Amb33130291 [1,0,0,1,0,0|1,0,0]=3 1424 B10R1.64 CC(=O)CC1CCCC1O Amb27171126 [1,0,0,1,0,0|2,0,0]=4 1425 B10R1.64 CC(=O)C[C@@H]1CCC[C@H]1C Amb27768009 [1,0,0,1,0,0|2,0,0]=4 1426 B10R1.64 CC(=O)C[C@@H]1CCC[C@H]1N Amb33308036 [1,0,0,1,0,0|1,0,0]=3 1427 B10R1.64 CC(C)CC1CCCC1N Amb18287711 [1,0,0,1,0,0|1,0,1]=4 1428 B10R1.64 CC(C)CC1COCC1N Amb29877505 [1,0,0,1,0,0|2,0,0]=4 1429 B10R1.64 CC(C)C[C@@H]1CNC[C@@H]1N Amb32709347 [1,0,0,1,0,0|2,0,0]=4 1430 B10R1.64 CC(C)C[C@H]1CCC[C@H]1N Amb27447185 [1,0,0,1,0,0|1,0,1]=4 1431 B10R1.64 CC(O)CC1CCCC1N Amb35582171 [1,0,0,1,0,0|1,0,1]=4 1432 B10R1.64 CC(O)C[C@@H]1CCC[C@H]1N Amb35740791 [1,0,0,1,0,0|1,0,1]=4 1433 B10R1.64 CC1CCCC1CC(=O)O Amb2696312 [1,0,0,1,0,0|1,0,0]=3 1434 B10R1.64 CC1CCCC1CC(N)=O Amb27828187 [1,0,0,1,0,0|2,0,0]=4 1435 B10R1.64 CC1CCCN1CC(=O)O Amb18954282 [1,0,0,1,0,0|2,0,0]=4 1436 B10R1.64 CC1CCCN1CC(=O)O Amb32653298 [1,0,0,1,0,0|2,0,0]=4 1437 B10R1.64 CC1CCNC1CC(=O)O Amb28059641 [1,0,0,1,0,0|2,0,0]=4 1438 B10R1.64 CC1CCOC1CC(=O)O Amb33620696 [1,0,0,1,0,0|2,0,0]=4 1439 B10R1.64 CC1CNCC1CC(=O)O Amb27643325 [1,0,0,1,0,0|2,0,0]=4 1440 B10R1.64 CC1CNCC1CC(=O)O Amb32753538 [1,0,0,1,0,0|2,0,0]=4 1441 B10R1.64 CC1COCC1CC(=O)O Amb35736018 [1,0,0,1,0,0|2,0,0]=4 1442 B10R1.64 CC1CSCC1CC(=O)O Amb28068257 [1,0,0,1,0,0|2,0,0]=4 1443 B10R1.64 CC1SCCC1CC(=O)O Amb18199391 [1,0,0,1,0,0|2,0,0]=4 1444 B10R1.64 CN1CCCC1CC(=O)O Amb22586774 [1,0,0,1,0,0|2,0,0]=4 1445 B10R1.64 CN1CCCC1CC(=O)O Amb8009896 [1,0,0,1,0,0|2,0,0]=4 1446 B10R1.64 C[C@@H]1CNC[C@H]1CC(=O)O Amb32683471 [1,0,0,1,0,0|2,0,0]=4 1447 B10R1.64 C[C@@H]1CNC[C@H]1CC(=O)O Amb32684495 [1,0,0,1,0,0|2,0,0]=4 1448 B10R1.64 C[C@@H]1NCC[C@H]1CC(=O)O Amb18202479 [1,0,0,1,0,0|2,0,0]=4 1449 B10R1.64 C[C@H]1NCC[C@@H]1CC(=O)O Amb27782907 [1,0,0,1,0,0|2,0,0]=4 1450 B10R1.64 NC(=O)CC1CCCC1N Amb27770579 [1,0,0,1,0,0|1,0,0]=3 1451 B10R1.64 NC(=O)CC1CCCN1N Amb27874066 [1,0,0,1,0,0|2,0,0]=4 1452 B10R1.64 NC(=O)C[C@@H]1CCC[C@H]1N Amb35725167 [1,0,0,1,0,0|1,0,0]=3 1453 B10R1.64 NC(=O)C[C@@H]1CCS[C@@H]1N Amb27203375 [1,0,0,1,0,0|2,0,0]=4 1454 B10R1.64 NC(=O)C[C@H]1CCC[C@H]1O Amb27253148 [1,0,0,1,0,0|2,0,0]=4 1455 B10R1.64 NC1CCCC1CC(=O)O Amb2694936 [1,0,0,1,0,0|0,0,0]=2 1456 B10R1.64 NC1CCCC1CC(=O)O Amb8630072 [1,0,0,1,0,0|0,0,0]=2 1457 B10R1.64 NC1CCC\C1=C/C(=O)O Amb27630675 [1,0,0,1,0,0|0,0,2]=4 1458 B10R1.64 NC1CSCC1CC(=O)O Amb18199825 [1,0,0,1,0,0|1,0,0]=3 1459 B10R1.64 N[C@@H]1CCC[C@H]1CC(=O)O Amb26580643 [1,0,0,1,0,0|0,0,0]=2 1460 B10R1.64 N[C@@H]1CCC[C@H]1CC(=O)O Amb32664820 [1,0,0,1,0,0|0,0,0]=2 1461 B10R1.64 N[C@@H]1COC[C@H]1CC(=O)O Amb27627825 [1,0,0,1,0,0|1,0,0]=3 1462 B10R1.64 N[C@H]1CCC[C@@H]1CC(=O)O Amb27461253 [1,0,0,1,0,0|0,0,0]=2 1463 B10R1.64 N[C@H]1CCC[C@H]1CC(=O)O Amb34914988 [1,0,0,1,0,0|0,0,0]=2 1464 B10R1.64 O=C(O)CC1CCCC1=O Amb18643831 [1,0,0,1,0,0|1,0,1]=4 1465 B10R1.64 O=C(O)CC1CCCC1O Amb18202404 [1,0,0,1,0,0|1,0,0]=3 1466 B10R1.64 O=C(O)CC1CNCC1F Amb27434632 [1,0,0,1,0,0|2,0,0]=4 1467 B10R1.64 O=C(O)CC1CNCC1O Amb27789865 [1,0,0,1,0,0|2,0,0]=4 1468 B10R1.64 O=C(O)CC1NCCC1F Amb32990262 [1,0,0,1,0,0|2,0,0]=4 1469 B10R1.64 O=C(O)CN1CCC[C@@H]1O Amb10067047 [1,0,0,1,0,0|2,0,0]=4 1470 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Amb25960224 [1,0,0,1,0,0|1,0,0]=3 1471 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Amb32904239 [1,0,0,1,0,0|2,0,0]=4 1472 B10R1.64 O=C(O)C[C@H]1CCC[C@H]1O Amb27489875 [1,0,0,1,0,0|1,0,0]=3 1473 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O Amb20242369 [1,0,0,1,0,0|2,0,0]=4 1474 B10R1.69 CCN(CC=O)CC1CC1 Amb27442248 [1,0,0,1,0,0|2,0,0]=4 1475 B10R1.80 CC(C)CC1NC(=O)C1N Amb28146791 [1,0,0,1,0,0|1,0,0]=3 1476 B10R1.80 CC(C)CC1NC(=O)C1O Amb27393057 [1,0,0,1,0,0|2,0,0]=4 1477 B10R1.80 CC(C)C[C@@H]1NC(=O)[C@@H]1O Amb28059910 [1,0,0,1,0,0|2,0,0]=4 1478 B10R1.80 CC(C)C[C@H]1NC(=O)[C@@H]1N Amb27422028 [1,0,0,1,0,0|1,0,0]=3 1479 B10R1.80 CC1CC(CC(=O)O)C1C Amb28049798 [1,0,0,1,0,0|1,0,0]=3 1480 B10R1.86 CCCN1CCC1C(=O)O Amb22011891 [1,0,0,1,0,0|2,0,0]=4 1481 B10R1.86 CCCN1CC[C@@H]1C(=O)O Amb30869401 [1,0,0,1,0,0|2,0,0]=4 1482 B10R1.86 CCCN1CC[C@H]1C(=O)O Amb33801596 [1,0,0,1,0,0|2,0,0]=4 1483 B10R1.86 O=C(O)C1CCC1CCF Amb27229342 [1,0,0,1,0,0|2,0,0]=4 1484 B10R1.91 CCCC1C(C)C1C(=O)O Amb28421897 [1,0,0,1,0,0|1,0,0]=3 1485 B10R1.91 CCC[C@@H]1[C@H](C)[C@H]1C(=O)O Amb28067787 [1,0,0,1,0,0|1,0,0]=3 1486 B10R1.91 CCOC1C(C)C1C(=O)O Amb9677558 [1,0,0,1,0,0|2,0,0]=4 1487 B10R1.95 CC1(C)CC(CCO)CO1 Amb33744070 [1,0,0,1,0,0|1,0,1]=4 1488 B10R1.95 CC1(C)CCC(CC=O)C1 Amb33360171 [1,0,0,1,0,0|1,0,0]=3 1489 B10R1.95 CC1(C)CCC(CCO)C1 Amb27963270 [1,0,0,1,0,0|1,0,1]=4 1490 B10R1.95 CC1(C)CCC(CNO)C1 Amb33360830 [1,0,0,1,0,0|2,0,0]=4 1491 B10R1.95 CC1(C)CCN(CC=O)C1 Amb28073767 [1,0,0,1,0,0|2,0,0]=4 1492 B10R1.95 CC1(C)OCC(CC=O)O1 Amb28424368 [1,0,0,1,0,0|2,0,0]=4 1493 B10R1.95 CC1(C)OC[C@H](CC=O)O1 Amb22225051 [1,0,0,1,0,0|2,0,0]=4 1494 B10R1.130 CC1CC(O)C(CCO)C1 Amb27663277 [1,0,0,1,0,0|1,0,1]=4 1495 B10R1.130 CCCC1CC(=O)NC1C Amb26857237 [1,0,0,1,0,0|2,0,0]=4 1496 B10R1.130 CCCC1CC(=O)OC1=O Amb24460269 [1,0,0,1,0,0|1,0,1]=4 1497 B10R1.130 CCCC1CC(=O)OC1O Amb28126848 [1,0,0,1,0,0|1,0,0]=3 1498 B10R1.130 CCCC1NC(=O)OC1C Amb27174798 [1,0,0,1,0,0|2,0,0]=4 1499 B10R1.130 CCCC1OC(=O)CC1N Amb27454546 [1,0,0,1,0,0|2,0,0]=4 1500 B10R1.130 CCC[C@@H]1CC(=O)C[C@H]1C Amb27211928 [1,0,0,1,0,0|2,0,0]=4 1501 B10R1.130 CCC[C@@H]1NC(=O)O[C@H]1C Amb27467926 [1,0,0,1,0,0|2,0,0]=4 1502 B10R1.130 CCC[C@H]1CC(=O)C[C@@H]1C Amb28253334 [1,0,0,1,0,0|2,0,0]=4 1503 B10R1.130 C[C@H]1C[C@H](O)[C@H](CCO)C1 Amb27849012 [1,0,0,1,0,0|1,0,1]=4 1504 B10R1.162 CCC1CCCCC(=O)C1 Amb28126018 [1,0,0,1,0,0|2,0,0]=4 1505 B10R1.162 CCC1CCCNC(=O)C1 Amb27627781 [1,0,0,1,0,0|2,0,0]=4 1506 B10R1.162 CC[C@@H]1CCCCC(=O)C1 Amb27236500 [1,0,0,1,0,0|2,0,0]=4 1507 B10R1.162 CC[C@H]1CCCCC(=O)C1 Amb27615128 [1,0,0,1,0,0|2,0,0]=4 1508 B10R1.162 NCC1CCCCC(=O)N1 Amb19515401 [1,0,0,1,0,0|2,0,0]=4 1509 B10R1.162 NCC1CCCCC(O)C1 Amb25877516 [1,0,0,1,0,0|1,0,1]=4 1510 B10R1.165 CC(C)N1C(=O)CC1CN Amb27663679 [1,0,0,1,0,0|1,0,0]=3 1511 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O Amb30869394 [1,0,0,1,0,0|2,0,0]=4 1512 B10R1.165 CCC1CN(C)[C@H]1C(=O)O Amb34915560 [1,0,0,1,0,0|2,0,0]=4 1513 B10R1.165 CCC1NC(=O)C1C(C)C Amb27184653 [1,0,0,1,0,0|2,0,0]=4 1514 B10R1.171 CC1(C)C=CCC(CBr)C1 Amb28247233 [1,0,0,1,0,0|2,0,0]=4 1515 B10R1.171 CC1(C)CC(CBr)CCO1 Amb33549978 [1,0,0,1,0,0|1,0,1]=4 1516 B10R1.171 CC1(C)CC(CCl)CCO1 Amb27803026 [1,0,0,1,0,0|1,0,1]=4 1517 B10R1.171 CC1(C)CC(CI)CCO1 Amb27632737 [1,0,0,1,0,0|1,0,1]=4 1518 B10R1.171 CC1(C)CC(CN)CCO1 Amb18644014 [1,0,0,1,0,0|0,0,1]=3 1519 B10R1.171 CC1(C)CC(CN)CCO1 Amb33548233 [1,0,0,1,0,0|0,0,1]=3 1520 B10R1.171 CC1(C)CC(CO)CCO1 Amb15701273 [1,0,0,1,0,0|1,0,1]=4 1521 B10R1.171 CC1(C)CC(NN)CCO1 Amb33276245 [1,0,0,1,0,0|1,0,1]=4 1522 B10R1.171 CC1(C)CC(NN)CCO1 Amb33495156 [1,0,0,1,0,0|1,0,1]=4 1523 B10R1.171 CC1(C)CCCC(CN)C1 Amb25960175 [1,0,0,1,0,0|1,0,1]=4 1524 B10R1.171 CC1(C)CCCC(CN)C1 Amb28984116 [1,0,0,1,0,0|1,0,1]=4 1525 B10R1.171 CC1(C)OCC[C@@H](CN)O1 Amb25887587 [1,0,0,1,0,0|1,0,1]=4 1526 B10R1.171 NCC1CCCS(=O)(=O)C1 Amb26879308 [1,0,0,1,0,0|1,0,1]=4 1527 B10R1.171 NCC1CCCS(=O)(=O)C1 Amb28555485 [1,0,0,1,0,0|1,0,1]=4 1528 B10R1.173 CCN1CCC1CC(=O)O Amb27238754 [1,0,0,1,0,0|2,0,0]=4 1529 B10R1.227 C=CC1(CC(=O)O)CCC1 Amb27425012 [1,0,0,1,0,0|1,0,1]=4 1530 B10R1.227 CC(=O)CC1(CN)CCC1 Amb28050360 [1,0,0,1,0,0|1,0,0]=3 1531 B10R1.227 CC(=O)CC1(CN)CCC1 Amb33447089 [1,0,0,1,0,0|1,0,0]=3 1532 B10R1.227 CC(C)CC1(CN)CCC1 Amb10607995 [1,0,0,1,0,0|1,0,1]=4 1533 B10R1.227 CCC1(CC(=O)O)CCC1 Amb22735900 [1,0,0,1,0,0|1,0,0]=3 1534 B10R1.227 CCC1(CC(=O)O)COC1 Amb24743907 [1,0,0,1,0,0|2,0,0]=4 1535 B10R1.227 CCC1(CC(C)=O)CCC1 Amb25081870 [1,0,0,1,0,0|2,0,0]=4 1536 B10R1.227 CNC1(CC(=O)O)CCC1 Amb28315800 [1,0,0,1,0,0|2,0,0]=4 1537 B10R1.227 COC1(CC(=O)O)CCC1 Amb22886504 [1,0,0,1,0,0|2,0,0]=4 1538 B10R1.227 CSC1(CC(=O)O)CCC1 Amb27850081 [1,0,0,1,0,0|2,0,0]=4 1539 B10R1.227 N#CC1(CC(=O)O)CCC1 Amb28072907 [1,0,0,1,0,0|0,0,2]=4 1540 B10R1.227 NCC1(CC(=O)O)CCC1 Amb20669491 [1,0,0,1,0,0|0,0,0]=2 1541 B10R1.227 NCC1(CC(=O)O)CCC1 Amb22059709 [1,0,0,1,0,0|0,0,0]=2 1542 B10R1.227 NCC1(CC(=O)O)COC1 Amb20671383 [1,0,0,1,0,0|1,0,0]=3 1543 B10R1.227 NCC1(CC(=O)O)CSC1 Amb27640389 [1,0,0,1,0,0|1,0,0]=3 1544 B10R1.227 NOC1(CC(=O)O)CCC1 Amb27465095 [1,0,0,1,0,0|1,0,0]=3 1545 B10R1.227 NOC1(CC(=O)O)CNC1 Amb27443275 [1,0,0,1,0,0|2,0,0]=4 1546 B10R1.227 NOC1(CC(=O)O)CNC1 Amb32684921 [1,0,0,1,0,0|2,0,0]=4 1547 B10R1.227 NOC1(CC(=O)O)COC1 Amb33072037 [1,0,0,1,0,0|2,0,0]=4 1548 B10R1.227 O=C(O)CC1(CF)CCC1 Amb33376920 [1,0,0,1,0,0|1,0,0]=3 1549 B10R1.227 O=C(O)CC1(CO)CCC1 Amb26414950 [1,0,0,1,0,0|1,0,0]=3 1550 B10R1.227 O=C([O-])CC1(CO)CCC1 Amb31217645 [1,0,0,1,0,0|1,0,1]=4 1551 B10R1.374 CC(=O)CC(CN)C1CC1 Amb33131423 [1,0,0,1,0,0|1,0,0]=3 1552 B10R1.374 CC(=O)NC(CN)C1CC1 Amb18251251 [1,0,0,1,0,0|2,0,0]=4 1553 B10R1.374 CC(C)CC(CN)C1CC1 Amb18202671 [1,0,0,1,0,0|1,0,1]=4 1554 B10R1.374 CC(O)CC(CN)C1CC1 Amb27600141 [1,0,0,1,0,0|1,0,1]=4 1555 B10R1.374 CCC(CC(=O)O)C1CC1 Amb26863664 [1,0,0,1,0,0|1,0,0]=3 1556 B10R1.374 CCN(CC(=O)O)C1CC1 Amb33550254 [1,0,0,1,0,0|2,0,0]=4 1557 B10R1.374 CCN(CC(=O)O)C1CC1 Amb8891757 [1,0,0,1,0,0|2,0,0]=4 1558 B10R1.374 CSC(CC(=O)O)C1CC1 Amb27663136 [1,0,0,1,0,0|2,0,0]=4 1559 B10R1.374 NCC(CC(=O)O)C1CC1 Amb28422922 [1,0,0,1,0,0|0,0,0]=2 1560 B10R1.374 NCC(NC(N)=O)C1CC1 Amb18251260 [1,0,0,1,0,0|2,0,0]=4 1561 B10R1.389 C=CCC1(CBr)CC(C)C1 Amb32690752 [1,0,0,1,0,0|2,0,0]=4 1562 B10R1.389 C=CCC1(CCl)CC(C)C1 Amb29884937 [1,0,0,1,0,0|2,0,0]=4 1563 B10R1.389 C=CCC1(CO)CC(C)C1 Amb35644385 [1,0,0,1,0,0|2,0,0]=4 1564 B10R1.389 CCCC1(CN)CC(C)C1 Amb23449231 [1,0,0,1,0,0|1,0,1]=4 1565 B10R1.389 CCCC1(CN)CC(O)C1 Amb33374803 [1,0,0,1,0,0|1,0,1]=4 1566 B10R1.389 COCC1(CN)CC(C)C1 Amb23456225 [1,0,0,1,0,0|2,0,0]=4 1567 B10R1.394 CCCC1(CC(=O)O)CC1 Amb33314622 [1,0,0,1,0,0|1,0,0]=3 1568 B10R1.394 COCC1(CC(=O)O)CC1 Amb18202405 [1,0,0,1,0,0|2,0,0]=4 1569 B10R1.394 CSCC1(CC(=O)O)CC1 Amb27597451 [1,0,0,1,0,0|2,0,0]=4 1570 B10R1.394 O=C(O)CC1(CCF)CC1 Amb33196452 [1,0,0,1,0,0|2,0,0]=4 1571 B10R1.454 CC1(C)CC(CO)C1CO Amb27756325 [1,0,0,1,0,0|1,0,1]=4 1572 B10R1.530 C=CCC1(CBr)CC1(C)C Amb32690854 [1,0,0,1,0,0|2,0,0]=4 1573 B10R1.530 C=CCC1(CCl)CC1(C)C Amb32690992 [1,0,0,1,0,0|2,0,0]=4 1574 B10R1.530 CC1(C)CC1(CN)CCF Amb33079458 [1,0,0,1,0,0|1,0,1]=4 1575 B10R1.530 CCCC1(CN)CC1(C)C Amb27157998 [1,0,0,1,0,0|1,0,1]=4 1576 B10R1.530 COCC1(CN)CC1(C)C Amb33360080 [1,0,0,1,0,0|2,0,0]=4 1577 B10R1.530 CSCC1(CN)CC1(C)C Amb33271708 [1,0,0,1,0,0|2,0,0]=4 1578 B10R1.59 C=C1CC(N)C(C(=O)O)C1 Amb27779891 [1,0,0,1,0,0|0,0,2]=4 1579 B10R1.59 C=C1C[C@H](N)[C@@H](C(=O)O)C1 Amb10071928 [1,0,0,1,0,0|0,0,2]=4 1580 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 Amb17938168 [1,0,0,1,0,0|0,0,2]=4 1581 B10R1.59 CC(=O)[C@@H]1OC(=O)C[C@@H]1C Amb25319949 [1,0,0,1,0,0|1,0,1]=4 1582 B10R1.59 CC(Br)C1OC(=O)CC1C Amb27247655 [1,0,0,1,0,0|1,0,0]=3 1583 B10R1.59 CC(C)C1CC(=O)NC1C Amb27768752 [1,0,0,1,0,0|2,0,0]=4 1584 B10R1.59 CC(C)C1NC(=O)CC1C Amb27793655 [1,0,0,1,0,0|1,0,0]=3 1585 B10R1.59 CC(C)C1NC(=O)CC1O Amb27605833 [1,0,0,1,0,0|2,0,0]=4 1586 B10R1.59 CC(C)C1OC(=O)N=C1N Amb27397393 [1,0,0,1,0,0|1,0,1]=4 1587 B10R1.59 CC(C)C1OC(O)CC1C Amb27978078 [1,0,0,1,0,0|0,0,2]=4 1588 B10R1.59 CC(C)N1NC(=O)CC1C Amb27981348 [1,0,0,1,0,0|2,0,0]=4 1589 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1O Amb27780062 [1,0,0,1,0,0|2,0,0]=4 1590 B10R1.59 CC(C)[C@@H]1OC(=O)C[C@H]1N Amb27252316 [1,0,0,1,0,0|0,0,0]=2 1591 B10R1.59 CC(C)[C@@H]1OC(O)C[C@H]1C Amb27798289 [1,0,0,1,0,0|0,0,2]=4 1592 B10R1.59 CC(C)[C@H]1NC(=O)C[C@H]1O Amb27493519 [1,0,0,1,0,0|2,0,0]=4 1593 B10R1.59 CC(C)[C@H]1OC(=O)C[C@H]1O Amb27653144 [1,0,0,1,0,0|1,0,0]=3 1594 B10R1.59 CC(C)[C@H]1OC(O)C[C@@H]1C Amb27981723 [1,0,0,1,0,0|0,0,2]=4 1595 B10R1.59 CC1=CC(C(=O)O)C(N)C1 Amb27838089 [1,0,0,1,0,0|0,0,2]=4 1596 B10R1.59 CC1=CC(N)C(C(=O)O)C1 Amb27408423 [1,0,0,1,0,0|0,0,2]=4 1597 B10R1.59 CC1=C[C@@H](C(=O)O)[C@@H](N)C1 Amb27629270 [1,0,0,1,0,0|0,0,2]=4 1598 B10R1.59 CC1=C[C@@H](N)[C@@H](C(=O)O)C1 Amb27956118 [1,0,0,1,0,0|0,0,2]=4 1599 B10R1.59 CC1=C[C@@H](N)[C@H](C(=O)O)C1 Amb27882639 [1,0,0,1,0,0|0,0,2]=4 1600 B10R1.59 CC1=C[C@H](C(=O)O)[C@@H](N)C1 Amb27975743 [1,0,0,1,0,0|0,0,2]=4 1601 B10R1.59 CC1=C[C@H](N)[C@H](C(=O)O)C1 Amb25174958 [1,0,0,1,0,0|0,0,2]=4 1602 B10R1.59 CC1CC(C(=O)O)C(C)O1 Amb27779714 [1,0,0,1,0,0|1,0,0]=3 1603 B10R1.59 CC1CC(C)C(C(=O)O)O1 Amb25943591 [1,0,0,1,0,0|1,0,0]=3 1604 B10R1.59 CC1CC(C)C(C(N)=O)O1 Amb27486913 [1,0,0,1,0,0|2,0,0]=4 1605 B10R1.59 CC1CC(C)N(C(=O)Cl)C1 Amb27214177 [1,0,0,1,0,0|2,0,0]=4 1606 B10R1.59 CC1CC(F)C(C(=O)O)O1 Amb28198814 [1,0,0,1,0,0|2,0,0]=4 1607 B10R1.59 CC1CC(N)C(C(=O)O)C1 Amb28075037 [1,0,0,1,0,0|0,0,0]=2 1608 B10R1.59 CC1CC(O)CC1C(=O)O Amb27447223 [1,0,0,1,0,0|1,0,0]=3 1609 B10R1.59 CC1CN(C)CC1C(=O)O Amb24478023 [1,0,0,1,0,0|1,0,0]=3 1610 B10R1.59 CC1CN(C)CC1C(=O)O Amb33552546 [1,0,0,1,0,0|1,0,0]=3 1611 B10R1.59 CC1C[C@@H](O)[C@@H](C(=O)O)N1 Amb27818206 [1,0,0,1,0,0|2,0,0]=4 1612 B10R1.59 CC1C[C@H](N)[C@H](C(=O)O)C1 Amb27871980 [1,0,0,1,0,0|0,0,0]=2 1613 B10R1.59 CN1CC(F)C(C(=O)O)C1 Amb27658048 [1,0,0,1,0,0|2,0,0]=4 1614 B10R1.59 CN1CC(F)CC1C(=O)O Amb28050082 [1,0,0,1,0,0|2,0,0]=4 1615 B10R1.59 CN1CC(F)CC1C(=O)O Amb32666364 [1,0,0,1,0,0|2,0,0]=4 1616 B10R1.59 CN1CC(N)CC1C(=O)O Amb27403072 [1,0,0,1,0,0|2,0,0]=4 1617 B10R1.59 CN1CC(O)CC1C(=O)O Amb5719759 [1,0,0,1,0,0|2,0,0]=4 1618 B10R1.59 CN1CC(O)C[C@H]1C(=O)O Amb27849693 [1,0,0,1,0,0|2,0,0]=4 1619 B10R1.59 CN1C[C@@H](N)C[C@@H]1C(=O)O Amb34915546 [1,0,0,1,0,0|2,0,0]=4 1620 B10R1.59 CN1C[C@@H](N)C[C@H]1C(=O)O Amb19516794 [1,0,0,1,0,0|2,0,0]=4 1621 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O Amb22757084 [1,0,0,1,0,0|2,0,0]=4 1622 B10R1.59 CN1C[C@@H](S)C[C@H]1C(=O)O Amb26027085 [1,0,0,1,0,0|2,0,0]=4 1623 B10R1.59 CN1C[C@H](F)C[C@@H]1C(=O)O Amb34916254 [1,0,0,1,0,0|2,0,0]=4 1624 B10R1.59 CN1C[C@H](F)C[C@H]1C(=O)O Amb25175012 [1,0,0,1,0,0|2,0,0]=4 1625 B10R1.59 CN1C[C@H](F)C[C@H]1C(=O)O Amb32662833 [1,0,0,1,0,0|2,0,0]=4 1626 B10R1.59 CN1C[C@H](N)C[C@H]1C(=O)O Amb23385233 [1,0,0,1,0,0|2,0,0]=4 1627 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O Amb27447191 [1,0,0,1,0,0|2,0,0]=4 1628 B10R1.59 C[C@@H](O)[C@@H]1OC(=O)C[C@H]1N Amb27420222 [1,0,0,1,0,0|1,0,0]=3 1629 B10R1.59 C[C@@H]1CC(=O)C[C@H]1C(=O)O Amb26891990 [1,0,0,1,0,0|1,0,1]=4 1630 B10R1.59 C[C@@H]1CN(C)C[C@H]1C(=O)O Amb24643115 [1,0,0,1,0,0|1,0,0]=3 1631 B10R1.59 C[C@@H]1CN(C)C[C@H]1C(N)=O Amb27261450 [1,0,0,1,0,0|2,0,0]=4 1632 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 Amb30869371 [1,0,0,1,0,0|1,0,0]=3 1633 B10R1.59 C[C@@H]1C[C@@H](F)[C@@H](C(=O)O)O1 Amb28058745 [1,0,0,1,0,0|2,0,0]=4 1634 B10R1.59 C[C@@H]1C[C@@H](O)[C@@H](C(=O)O)N1 Amb25966968 [1,0,0,1,0,0|2,0,0]=4 1635 B10R1.59 C[C@@H]1C[C@@H](O)[C@H](C(=O)O)N1 Amb27204031 [1,0,0,1,0,0|2,0,0]=4 1636 B10R1.59 C[C@@H]1C[C@H](C(=O)O)N(C)C1 Amb30869372 [1,0,0,1,0,0|1,0,0]=3 1637 B10R1.59 C[C@@H]1C[C@H](C(=O)O)N(C)C1 Amb33716166 [1,0,0,1,0,0|1,0,0]=3 1638 B10R1.59 C[C@@H]1C[C@H](Cl)[C@H](C(=O)O)O1 Amb28457445 [1,0,0,1,0,0|2,0,0]=4 1639 B10R1.59 C[C@@H]1C[C@H](O)[C@@H](C(=O)O)N1 Amb27249841 [1,0,0,1,0,0|2,0,0]=4 1640 B10R1.59 C[C@H](Br)[C@@H]1OC(=O)C[C@@H]1C Amb28288320 [1,0,0,1,0,0|1,0,0]=3 1641 B10R1.59 C[C@H](O)C1OC(=O)C[C@@H]1O Amb28345319 [1,0,0,1,0,0|2,0,0]=4 1642 B10R1.59 C[C@H](O)[C@@H]1OC(=O)C[C@H]1N Amb27644620 [1,0,0,1,0,0|1,0,0]=3 1643 B10R1.59 C[C@H](O)[C@@H]1OC(=O)C[C@H]1O Amb28350193 [1,0,0,1,0,0|2,0,0]=4 1644 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 Amb33801092 [1,0,0,1,0,0|1,0,0]=3 1645 B10R1.59 C[C@H]1C[C@@H](C)CN1C(=O)Cl Amb27226175 [1,0,0,1,0,0|2,0,0]=4 1646 B10R1.59 C[C@H]1C[C@@H](O)[C@H](C(=O)O)N1 Amb27420162 [1,0,0,1,0,0|2,0,0]=4 1647 B10R1.59 C[C@H]1C[C@H](C(=O)O)N(C)C1 Amb34915561 [1,0,0,1,0,0|1,0,0]=3 1648 B10R1.59 C[C@H]1C[C@H](O)[C@@H](C(=O)O)N1 Amb26930084 [1,0,0,1,0,0|2,0,0]=4 1649 B10R1.59 NC1CC(=O)CC1C(=O)O Amb24523031 [1,0,0,1,0,0|1,0,1]=4 1650 B10R1.59 NC1CC(O)CC1C(=O)O Amb26583126 [1,0,0,1,0,0|1,0,0]=3 1651 B10R1.59 NC1C[C@H](N)[C@H](C(=O)O)C1 Amb27202789 [1,0,0,1,0,0|1,0,0]=3 1652 B10R1.59 N[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb32651666 [1,0,0,1,0,0|1,0,0]=3 1653 B10R1.59 N[C@@H]1C[C@H](O)C[C@@H]1C(=O)O Amb32992726 [1,0,0,1,0,0|1,0,0]=3 1654 B10R1.59 N[C@H]1CC(=O)C[C@H]1C(=O)O Amb27658876 [1,0,0,1,0,0|1,0,1]=4 1655 B10R1.59 N[C@H]1CC(O)C[C@H]1C(=O)O Amb27818161 [1,0,0,1,0,0|1,0,0]=3 1656 B10R1.110 C=C(C)CC(N)C1CC1C Amb27833101 [1,0,0,1,0,0|2,0,0]=4 1657 B10R1.110 CC(CC(=O)O)C1CC1C Amb24666851 [1,0,0,1,0,0|0,0,0]=2 1658 B10R1.110 CC1CC1C(N)CC(=O)O Amb33253734 [1,0,0,1,0,0|0,0,0]=2 1659 B10R1.110 CC1CC1C(N)CC(N)=O Amb33254879 [1,0,0,1,0,0|1,0,0]=3 1660 B10R1.110 CC1CC1C(O)CC(=O)O Amb33036107 [1,0,0,1,0,0|1,0,0]=3 1661 B10R1.110 CC1CC1[C@@H](N)CC(=O)O Amb33254242 [1,0,0,1,0,0|0,0,0]=2 1662 B10R1.110 CC1CC1[C@@H](N)CC(N)=O Amb33255336 [1,0,0,1,0,0|1,0,0]=3 1663 B10R1.110 CC1CC1[C@@H](O)CC(=O)O Amb33144258 [1,0,0,1,0,0|1,0,0]=3 1664 B10R1.110 CC1CC1[C@H](N)CC(=O)O Amb33308232 [1,0,0,1,0,0|0,0,0]=2 1665 B10R1.110 CC1CC1[C@H](N)CC(N)=O Amb33254271 [1,0,0,1,0,0|1,0,0]=3 1666 B10R1.110 CC1CC1[C@H](O)CC(=O)O Amb33144257 [1,0,0,1,0,0|1,0,0]=3 1667 B10R1.110 C\C(=C/C(=O)O)C1CC1C Amb28342577 [1,0,0,1,0,0|0,0,2]=4 1668 B10R1.268 C=C(C)CC(N)CC1CC1 Amb27494319 [1,0,0,1,0,0|2,0,0]=4 1669 B10R1.268 CC(=O)CN(C)CC1CC1 Amb28367844 [1,0,0,1,0,0|2,0,0]=4 1670 B10R1.268 CC(C)CC(C)CC1CO1 Amb27427911 [1,0,0,1,0,0|1,0,1]=4 1671 B10R1.268 CC(CC(=O)O)CC1CC1 Amb25147806 [1,0,0,1,0,0|0,0,0]=2 1672 B10R1.268 CC(CC(=O)O)NC1CC1 Amb9398365 [1,0,0,1,0,0|1,0,0]=3 1673 B10R1.268 CC(CC(=O)O)SC1CC1 Amb27266110 [1,0,0,1,0,0|1,0,0]=3 1674 B10R1.268 CC(CC(N)=O)NC1CC1 Amb17231944 [1,0,0,1,0,0|2,0,0]=4 1675 B10R1.268 CC(CC1CC1)NC(=O)Cl Amb35633237 [1,0,0,1,0,0|2,0,0]=4 1676 B10R1.268 CN(CC(=O)O)CC1CC1 Amb9423409 [1,0,0,1,0,0|1,0,0]=3 1677 B10R1.268 CN(CC(N)=O)CC1CC1 Amb27628547 [1,0,0,1,0,0|2,0,0]=4 1678 B10R1.268 NC(=O)CC(N)CC1CC1 Amb26056276 [1,0,0,1,0,0|1,0,0]=3 1679 B10R1.268 NC(CC(=O)O)CC1CC1 Amb25704189 [1,0,0,1,0,0|0,0,0]=2 1680 B10R1.268 O=C(O)CC(O)CC1CC1 Amb33036272 [1,0,0,1,0,0|1,0,0]=3 1681 B10R1.268 O=C(O)CS(=O)CC1CC1 Amb10608093 [1,0,0,1,0,0|2,0,0]=4 1682 B10R1.268 O=C(O)C[C@@H](O)CC1CC1 Amb33361926 [1,0,0,1,0,0|1,0,0]=3 1683 B10R1.268 O=C(O)C[C@H](O)CC1CC1 Amb33361927 [1,0,0,1,0,0|1,0,0]=3 1684 B10R1.282 C=C1C(C(=O)O)C1C(C)C Amb27859011 [1,0,0,1,0,0|0,0,2]=4 1685 B10R1.282 C=C1[C@@H](C(=O)O)[C@@H]1C(C)C Amb27870722 [1,0,0,1,0,0|0,0,2]=4 1686 B10R1.282 CC(=O)C1C(C)C1C(=O)O Amb27794780 [1,0,0,1,0,0|1,0,1]=4 1687 B10R1.282 CC(=O)C1C(C)C1C(C)O Amb27432683 [1,0,0,1,0,0|2,0,0]=4 1688 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)O Amb27489158 [1,0,0,1,0,0|1,0,1]=4 1689 B10R1.282 CC(=O)[C@@H]1[C@@H](C)[C@H]1C(C)O Amb28054447 [1,0,0,1,0,0|2,0,0]=4 1690 B10R1.282 CC(C)C1C(Cl)C1C(=O)O Amb32656379 [1,0,0,1,0,0|1,0,0]=3 1691 B10R1.309 C=C(C)CC1(N)CC(C)C1 Amb29870926 [1,0,0,1,0,0|2,0,0]=4 1692 B10R1.309 CC(=O)CC1(C)CC(=O)O1 Amb27217382 [1,0,0,1,0,0|1,0,1]=4 1693 B10R1.309 CC(C)CC1(N)CC(O)C1 Amb33374132 [1,0,0,1,0,0|1,0,1]=4 1694 B10R1.309 CC(O)CC1(N)CC(C)C1 Amb29870368 [1,0,0,1,0,0|1,0,1]=4 1695 B10R1.309 CC1CC(N)(CC(=O)O)C1 Amb26515657 [1,0,0,1,0,0|0,0,0]=2 1696 B10R1.309 CC1CC(N)(CC(N)=O)C1 Amb33254713 [1,0,0,1,0,0|1,0,0]=3 1697 B10R1.309 NC1CC(O)(CC(=O)O)C1 Amb33036331 [1,0,0,1,0,0|2,0,0]=4 1698 B10R1.310 CN1CC(C)(C)[C@@H]1C(=O)O Amb33714489 [1,0,0,1,0,0|1,0,0]=3 1699 B10R1.310 CN1CC(C)(C)[C@H]1C(=O)O Amb32643948 [1,0,0,1,0,0|1,0,0]=3 1700 B10R1.329 CC1(C)CC(=O)CC(=O)O1 Amb26626111 [1,0,0,1,0,0|1,0,1]=4 1701 B10R1.329 CC1(C)CC(=O)CC(N)C1 Amb28411500 [1,0,0,1,0,0|1,0,0]=3 1702 B10R1.329 CC1(C)CC(=O)C[C@@H](O)C1 Amb27614905 [1,0,0,1,0,0|2,0,0]=4 1703 B10R1.329 CC1(C)CC(N)CC(O)C1 Amb27772752 [1,0,0,1,0,0|1,0,1]=4 1704 B10R1.329 CC1(C)C[C@H](N)C[C@H](O)C1 Amb33620312 [1,0,0,1,0,0|1,0,1]=4 1705 B10R1.329 CC1=CC(=O)OC(C)(C)C1 Amb4017484 [1,0,0,1,0,0|0,0,2]=4 1706 B10R1.329 CC1=CC(C)(C)OC(=O)C1 Amb19944700 [1,0,0,1,0,0|0,0,2]=4 1707 B10R1.329 CC1CC(=O)CC(C)(C)C1 Amb9703082 [1,0,0,1,0,0|1,0,0]=3 1708 B10R1.329 CC1CC(C)(C)NC(=O)O1 Amb598113 [1,0,0,1,0,0|2,0,0]=4 1709 B10R1.329 CC1CC(C)(C)OC(=O)N1 Amb27874062 [1,0,0,1,0,0|1,0,0]=3 1710 B10R1.329 CC1CC(C)CC(C)(O)C1 Amb27881672 [1,0,0,1,0,0|1,0,1]=4 1711 B10R1.329 CC1CC(O)CC(C)(C)C1 Amb9748252 [1,0,0,1,0,0|1,0,1]=4 1712 B10R1.329 CN1CC(=O)CC(C)(C)C1 Amb32419179 [1,0,0,1,0,0|2,0,0]=4 1713 B10R1.329 C[C@@H]1CC(=O)CC(C)(C)C1 Amb28074776 [1,0,0,1,0,0|1,0,0]=3 1714 B10R1.329 C[C@@H]1C[C@@H](O)CC(C)(C)C1 Amb22801531 [1,0,0,1,0,0|1,0,1]=4 1715 B10R1.329 C[C@@H]1C[C@H](O)CC(C)(C)C1 Amb22230423 [1,0,0,1,0,0|1,0,1]=4 1716 B10R1.329 C[C@H]1CC(=O)CC(C)(C)C1 Amb26479464 [1,0,0,1,0,0|1,0,0]=3 1717 B10R1.329 C[C@H]1C[C@@H](O)CC(C)(C)C1 Amb8514862 [1,0,0,1,0,0|1,0,1]=4 1718 B10R1.330 CC1CCC(=O)CC(C)C1 Amb26031131 [1,0,0,1,0,0|1,0,0]=3 1719 B10R1.330 CC1CNC(=O)CC(C)C1 Amb25864713 [1,0,0,1,0,0|1,0,0]=3 1720 B10R1.330 CC1CNC(=O)CC(C)O1 Amb25823614 [1,0,0,1,0,0|2,0,0]=4 1721 B10R1.330 C[C@@H]1CCC(=O)C[C@H](C)C1 Amb28430513 [1,0,0,1,0,0|1,0,0]=3 1722 B10R1.330 C[C@@H]1CNC(=O)C[C@@H](C)C1 Amb28057791 [1,0,0,1,0,0|1,0,0]=3 1723 B10R1.330 C[C@@H]1CNC(=O)C[C@@H](C)O1 Amb27786880 [1,0,0,1,0,0|2,0,0]=4 1724 B10R1.330 C[C@H]1CC(=O)NC[C@@H](C)O1 Amb27253147 [1,0,0,1,0,0|2,0,0]=4 1725 B10R1.330 C[C@H]1CCC(=O)C[C@@H](C)C1 Amb28052211 [1,0,0,1,0,0|1,0,0]=3 1726 B10R1.330 C[C@H]1CC[C@H](O)C[C@@H](C)C1 Amb27457013 [1,0,0,1,0,0|1,0,1]=4 1727 B10R1.330 C[C@H]1CNC(=O)C[C@H](C)C1 Amb27655082 [1,0,0,1,0,0|1,0,0]=3 1728 B10R1.368 CC(=O)C1OC1CC(C)C Amb28126810 [1,0,0,1,0,0|2,0,0]=4 1729 B10R1.368 CC(=O)CC1OC1C(C)C Amb27238111 [1,0,0,1,0,0|2,0,0]=4 1730 B10R1.368 CC(=O)[C@@H]1C[C@H]1CC(C)C Amb25933167 [1,0,0,1,0,0|1,0,0]=3 1731 B10R1.368 CC(C)=CC1CC1C(=O)O Amb28126961 [1,0,0,1,0,0|0,0,2]=4 1732 B10R1.368 CC(C)=C[C@H]1C[C@@H]1C(=O)O Amb27627967 [1,0,0,1,0,0|0,0,2]=4 1733 B10R1.368 CC(C)CC1CC1C(=O)Cl Amb27200863 [1,0,0,1,0,0|1,0,0]=3 1734 B10R1.368 CC(C)CC1CC1C(=O)O Amb18297987 [1,0,0,1,0,0|0,0,0]=2 1735 B10R1.368 CC(C)CC1CC1C(N)=O Amb27471177 [1,0,0,1,0,0|1,0,0]=3 1736 B10R1.368 CC(C)CC1OC1C(=O)O Amb28397897 [1,0,0,1,0,0|1,0,0]=3 1737 B10R1.368 CC(C)C[C@@H]1C[C@H]1C(=O)O Amb28325147 [1,0,0,1,0,0|0,0,0]=2 1738 B10R1.368 CN(C)[C@H]1C[C@H]1CC(=O)O Amb28056002 [1,0,0,1,0,0|1,0,0]=3 1739 B10R1.371 CC(=O)CN1CC(C)(C)C1 Amb27244537 [1,0,0,1,0,0|2,0,0]=4 1740 B10R1.371 CC(=O)NC1CC(C)(C)C1 Amb28434431 [1,0,0,1,0,0|2,0,0]=4 1741 B10R1.371 CC1(C)CC(=CC(=O)O)C1 Amb25970404 [1,0,0,1,0,0|0,0,2]=4 1742 B10R1.371 CC1(C)CC(CC(=O)O)C1 Amb27218191 [1,0,0,1,0,0|0,0,0]=2 1743 B10R1.371 CC1(C)CC(CS(=O)Cl)C1 Amb32720751 [1,0,0,1,0,0|2,0,0]=4 1744 B10R1.371 CC1(C)CC(CS(=O)[O-])C1 Amb32755040 [1,0,0,1,0,0|1,0,1]=4 1745 B10R1.371 CC1(C)CC(CS(N)=O)C1 Amb32720752 [1,0,0,1,0,0|2,0,0]=4 1746 B10R1.371 CC1(C)CC(NC(=O)Cl)C1 Amb35633436 [1,0,0,1,0,0|2,0,0]=4 1747 B10R1.371 CC1(C)CN(CC(=O)O)C1 Amb26330161 [1,0,0,1,0,0|1,0,0]=3 1748 B10R1.371 CC1(C)CN(CC(=O)O)C1 Amb33552608 [1,0,0,1,0,0|1,0,0]=3 1749 B10R1.371 O=C(O)CC1CC(F)(F)C1 Amb22739013 [1,0,0,1,0,0|2,0,0]=4 1750 B10R1.443 CC1(C)CC1(C)CC(=O)O Amb26606076 [1,0,0,1,0,0|0,0,0]=2 1751 B10R1.443 CC1(CC(=O)O)CC1(Cl)Cl Amb24725943 [1,0,0,1,0,0|2,0,0]=4 1752 B10R1.443 CC1(CC(=O)O)CC1(F)Cl Amb25199162 [1,0,0,1,0,0|2,0,0]=4 1753 B10R1.443 CC1(CC(=O)O)CC1(F)F Amb35634474 [1,0,0,1,0,0|2,0,0]=4 1754 B10R1.30 CC1CCC(=O)CC1CCl Amb32865388 [0,0,0,1,1,0|2,0,0]=4 1755 B10R1.30 CC1CCC(=O)CC1CN Amb32867766 [0,0,0,1,1,0|1,0,0]=3 1756 B10R1.30 CC1CCC(O)C(CN)C1 Amb18202436 [0,0,0,1,1,0|1,0,1]=4 1757 B10R1.30 CC1CNC(=O)CC1CO Amb27230277 [0,0,0,1,1,0|2,0,0]=4 1758 B10R1.30 CCC1CC(=O)CCC1C Amb27165120 [0,0,0,1,1,0|2,0,0]=4 1759 B10R1.30 CCC1CC(=O)CC[C@H]1C Amb27762535 [0,0,0,1,1,0|2,0,0]=4 1760 B10R1.30 CCC1CC(C)CCC1=O Amb22059014 [0,0,0,1,1,0|2,0,0]=4 1761 B10R1.30 CC[C@@H]1CC(=O)CC[C@@H]1C Amb27428240 [0,0,0,1,1,0|2,0,0]=4 1762 B10R1.30 C[C@@H]1CCC(=O)[C@H](CO)C1 Amb27199081 [0,0,0,1,1,0|2,0,0]=4 1763 B10R1.33 CC1(C)OC(=O)C(CCl)O1 Amb28060133 [0,0,0,1,1,0|2,0,0]=4 1764 B10R1.33 CCC1CC(C)(C)CC1=O Amb28202336 [0,0,0,1,1,0|2,0,0]=4 1765 B10R1.33 CNC1CC(C)(C)OC1=O Amb26621692 [0,0,0,1,1,0|2,0,0]=4 1766 B10R1.33 CNC1CC(C)(C)OC1=O Amb28555658 [0,0,0,1,1,0|2,0,0]=4 1767 B10R1.42 C#C[C@H]1[C@@H](C(=O)O)C1(C)C Amb27429104 [0,0,0,1,1,0|1,0,1]=4 1768 B10R1.42 C=C(C)C1C(CN)C1(C)C Amb33199507 [0,0,0,1,1,0|2,0,0]=4 1769 B10R1.42 C=C(C)[C@@H]1[C@@H](CN)C1(C)C Amb33199244 [0,0,0,1,1,0|2,0,0]=4 1770 B10R1.42 CC1(C)C(C=O)C1C(=O)O Amb27390670 [0,0,0,1,1,0|1,0,1]=4 1771 B10R1.42 CC1(C)C(CF)C1C(=O)O Amb33379275 [0,0,0,1,1,0|1,0,0]=3 1772 B10R1.42 CC1(C)[C@@H](C(=O)O)[C@H]1C=O Amb25912080 [0,0,0,1,1,0|1,0,1]=4 1773 B10R1.42 CC1(C)[C@@H](CF)[C@@H]1C(=O)O Amb33379266 [0,0,0,1,1,0|1,0,0]=3 1774 B10R1.42 CC1(C)[C@@H](CO)[C@@H]1C(=O)O Amb26954921 [0,0,0,1,1,0|1,0,0]=3 1775 B10R1.42 CCC1C(C(=O)O)C1(C)C Amb28050088 [0,0,0,1,1,0|1,0,0]=3 1776 B10R1.42 CC[C@@H]1[C@@H](C(=O)O)C1(C)C Amb33204315 [0,0,0,1,1,0|1,0,0]=3 1777 B10R1.42 COC1C(C(=O)O)C1(C)C Amb23538769 [0,0,0,1,1,0|2,0,0]=4 1778 B10R1.42 NCC1C(C(=O)O)C1(F)F Amb27838001 [0,0,0,1,1,0|2,0,0]=4 1779 B10R1.42 NC[C@H]1[C@@H](C(=O)O)C1(F)F Amb27490845 [0,0,0,1,1,0|2,0,0]=4 1780 B10R1.113 CC(=O)C1CNCC(C)C1 Amb28058463 [0,0,0,1,1,0|1,0,0]=3 1781 B10R1.113 CC(C)C1CC=CC(=O)C1 Amb28201136 [0,0,0,1,1,0|2,0,0]=4 1782 B10R1.113 CC(C)C1CCCC(=O)C1 Amb4034784 [0,0,0,1,1,0|2,0,0]=4 1783 B10R1.113 CC(C)C1CCOC(=O)C1 Amb27411880 [0,0,0,1,1,0|1,0,0]=3 1784 B10R1.113 CC(C)C1CNCC(=O)N1 Amb24351593 [0,0,0,1,1,0|2,0,0]=4 1785 B10R1.113 CC(C)C1CNCC(=O)N1 Amb32410674 [0,0,0,1,1,0|2,0,0]=4 1786 B10R1.113 CC(C)[C@@H]1CCNC(=O)C1 Amb27262324 [0,0,0,1,1,0|2,0,0]=4 1787 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 Amb26398880 [0,0,0,1,1,0|1,0,0]=3 1788 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 Amb27615026 [0,0,0,1,1,0|2,0,0]=4 1789 B10R1.113 CC(C)[C@H]1CC=CC(=O)C1 Amb28049897 [0,0,0,1,1,0|2,0,0]=4 1790 B10R1.113 CC(C)[C@H]1CCOC(=O)N1 Amb28042606 [0,0,0,1,1,0|2,0,0]=4 1791 B10R1.113 CC1C=CCC(C(=O)O)C1 Amb24350925 [0,0,0,1,1,0|1,0,1]=4 1792 B10R1.113 CC1CC(C(=O)O)CCN1 Amb18831574 [0,0,0,1,1,0|2,0,0]=4 1793 B10R1.113 CC1CC(C(=O)O)CCN1 Amb28555517 [0,0,0,1,1,0|2,0,0]=4 1794 B10R1.113 CC1CC(C(=O)O)CCO1 Amb33545304 [0,0,0,1,1,0|2,0,0]=4 1795 B10R1.113 CC1CC(C(=O)O)CCS1 Amb26442619 [0,0,0,1,1,0|2,0,0]=4 1796 B10R1.113 CC1CCCC(C(=O)Cl)C1 Amb25715458 [0,0,0,1,1,0|2,0,0]=4 1797 B10R1.113 CC1CCCC(C(=O)O)C1 Amb3939935 [0,0,0,1,1,0|1,0,0]=3 1798 B10R1.113 CC1CCCC(C(=O)O)N1 Amb19959953 [0,0,0,1,1,0|2,0,0]=4 1799 B10R1.113 CC1CCCC(C(=O)O)N1 Amb4314386 [0,0,0,1,1,0|2,0,0]=4 1800 B10R1.113 CC1CCCC(C(=O)O)O1 Amb24529278 [0,0,0,1,1,0|2,0,0]=4 1801 B10R1.113 CC1CCCC(S(=O)O)C1 Amb35683278 [0,0,0,1,1,0|2,0,0]=4 1802 B10R1.113 CC1CCC[C@H](C(=O)O)N1 Amb540211 [0,0,0,1,1,0|2,0,0]=4 1803 B10R1.113 CC1CCNC(C(=O)O)C1 Amb13886199 [0,0,0,1,1,0|2,0,0]=4 1804 B10R1.113 CC1CCNC(C(=O)O)C1 Amb19375550 [0,0,0,1,1,0|2,0,0]=4 1805 B10R1.113 CC1CCOC(C(=O)O)C1 Amb25266110 [0,0,0,1,1,0|2,0,0]=4 1806 B10R1.113 CC1CNCC(C(=O)O)C1 Amb18643998 [0,0,0,1,1,0|0,0,0]=2 1807 B10R1.113 CC1CNCC(C(=O)O)N1 Amb32716215 [0,0,0,1,1,0|1,0,0]=3 1808 B10R1.113 CC1CNCC(C(=O)O)O1 Amb26021863 [0,0,0,1,1,0|1,0,0]=3 1809 B10R1.113 CC1CNCC(C(=O)O)O1 Amb32752555 [0,0,0,1,1,0|1,0,0]=3 1810 B10R1.113 CC1CNCC(C(C)O)C1 Amb35741697 [0,0,0,1,1,0|1,0,1]=4 1811 B10R1.113 CC1CNCC(C(N)=O)C1 Amb27876385 [0,0,0,1,1,0|1,0,0]=3 1812 B10R1.113 CC1CNCC(C(N)=O)C1 Amb33339041 [0,0,0,1,1,0|1,0,0]=3 1813 B10R1.113 CC1CNCC(C(N)=O)O1 Amb25351035 [0,0,0,1,1,0|2,0,0]=4 1814 B10R1.113 CC1COCC(C(=O)O)N1 Amb23585511 [0,0,0,1,1,0|2,0,0]=4 1815 B10R1.113 CC1COCC(C(=O)O)N1 Amb28555605 [0,0,0,1,1,0|2,0,0]=4 1816 B10R1.113 CC1CSCC(C(=O)O)N1 Amb18645533 [0,0,0,1,1,0|2,0,0]=4 1817 B10R1.113 CC1CSCC(C(=O)O)N1 Amb33456372 [0,0,0,1,1,0|2,0,0]=4 1818 B10R1.113 CC1CSC[C@@H](C(=O)O)N1 Amb27223064 [0,0,0,1,1,0|2,0,0]=4 1819 B10R1.113 CN1CCCC(C(=O)O)C1 Amb2689660 [0,0,0,1,1,0|2,0,0]=4 1820 B10R1.113 CN1CCCC(C(=O)O)C1 Amb9238836 [0,0,0,1,1,0|2,0,0]=4 1821 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 Amb22751960 [0,0,0,1,1,0|2,0,0]=4 1822 B10R1.113 CN1CCC[C@H](C(=O)O)C1 Amb28428437 [0,0,0,1,1,0|2,0,0]=4 1823 B10R1.113 C[C@@H]1CCC[C@@H](C(N)=O)C1 Amb28054502 [0,0,0,1,1,0|2,0,0]=4 1824 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)N1 Amb25168905 [0,0,0,1,1,0|2,0,0]=4 1825 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)N1 Amb32666562 [0,0,0,1,1,0|2,0,0]=4 1826 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 Amb8393477 [0,0,0,1,1,0|2,0,0]=4 1827 B10R1.113 C[C@@H]1CNCC(C(N)=O)O1 Amb27977144 [0,0,0,1,1,0|2,0,0]=4 1828 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 Amb28198256 [0,0,0,1,1,0|0,0,0]=2 1829 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)O1 Amb33804088 [0,0,0,1,1,0|1,0,0]=3 1830 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 Amb28186632 [0,0,0,1,1,0|0,0,0]=2 1831 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 Amb35746974 [0,0,0,1,1,0|0,0,0]=2 1832 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)O1 Amb25378882 [0,0,0,1,1,0|1,0,0]=3 1833 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)O1 Amb32664812 [0,0,0,1,1,0|1,0,0]=3 1834 B10R1.113 C[C@@H]1COC[C@H](C(=O)O)N1 Amb25102766 [0,0,0,1,1,0|2,0,0]=4 1835 B10R1.113 C[C@@H]1COC[C@H](C(=O)O)N1 Amb32796271 [0,0,0,1,1,0|2,0,0]=4 1836 B10R1.113 C[C@@H]1C[C@H](C(=O)O)CCN1 Amb31147397 [0,0,0,1,1,0|2,0,0]=4 1837 B10R1.113 C[C@@H]1C[C@H](C(=O)O)CCN1 Amb32670817 [0,0,0,1,1,0|2,0,0]=4 1838 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)C1 Amb25919595 [0,0,0,1,1,0|1,0,0]=3 1839 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)N1 Amb28145011 [0,0,0,1,1,0|2,0,0]=4 1840 B10R1.113 C[C@H]1CCC[C@@H](C(=O)O)N1 Amb35746778 [0,0,0,1,1,0|2,0,0]=4 1841 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 Amb22744764 [0,0,0,1,1,0|2,0,0]=4 1842 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 Amb33330844 [0,0,0,1,1,0|2,0,0]=4 1843 B10R1.113 C[C@H]1CCOC(C(=O)O)C1 Amb26057818 [0,0,0,1,1,0|2,0,0]=4 1844 B10R1.113 C[C@H]1CCO[C@H](C(=O)O)C1 Amb26565299 [0,0,0,1,1,0|2,0,0]=4 1845 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 Amb26968513 [0,0,0,1,1,0|0,0,0]=2 1846 B10R1.113 C[C@H]1COC[C@@H](C(=O)O)N1 Amb26528283 [0,0,0,1,1,0|2,0,0]=4 1847 B10R1.113 C[C@H]1COC[C@@H](C(=O)O)N1 Amb35746779 [0,0,0,1,1,0|2,0,0]=4 1848 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 Amb26405288 [0,0,0,1,1,0|2,0,0]=4 1849 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 Amb33362296 [0,0,0,1,1,0|2,0,0]=4 1850 B10R1.113 NC(=O)C1CNCC(O)C1 Amb27634008 [0,0,0,1,1,0|2,0,0]=4 1851 B10R1.113 NC1CCCC(C(=O)O)C1 Amb32664151 [0,0,0,1,1,0|2,0,0]=4 1852 B10R1.113 NC1CCCC(C(=O)O)C1 Amb33545486 [0,0,0,1,1,0|2,0,0]=4 1853 B10R1.113 NC1COCC(C(=O)O)C1 Amb25088866 [0,0,0,1,1,0|2,0,0]=4 1854 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 Amb10873166 [0,0,0,1,1,0|2,0,0]=4 1855 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 Amb25989341 [0,0,0,1,1,0|2,0,0]=4 1856 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 Amb20241308 [0,0,0,1,1,0|2,0,0]=4 1857 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 Amb32643943 [0,0,0,1,1,0|2,0,0]=4 1858 B10R1.113 N[C@@H]1CNC[C@@H](C(=O)O)C1 Amb27186917 [0,0,0,1,1,0|1,0,0]=3 1859 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 Amb20241307 [0,0,0,1,1,0|2,0,0]=4 1860 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 Amb23439976 [0,0,0,1,1,0|2,0,0]=4 1861 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 Amb22746829 [0,0,0,1,1,0|2,0,0]=4 1862 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 Amb23439848 [0,0,0,1,1,0|2,0,0]=4 1863 B10R1.113 O=C(O)C1CC(Cl)CNN1 Amb27837992 [0,0,0,1,1,0|2,0,0]=4 1864 B10R1.113 O=C(O)C1CCCC(F)C1 Amb26004039 [0,0,0,1,1,0|2,0,0]=4 1865 B10R1.113 O=C(O)C1CCCC(O)C1 Amb33544783 [0,0,0,1,1,0|2,0,0]=4 1866 B10R1.113 O=C(O)C1CCCC(S)C1 Amb32788453 [0,0,0,1,1,0|2,0,0]=4 1867 B10R1.113 O=C(O)C1CNCC(O)C1 Amb2695137 [0,0,0,1,1,0|1,0,0]=3 1868 B10R1.113 O=C(O)C1CNCC(O)C1 Amb8630089 [0,0,0,1,1,0|1,0,0]=3 1869 B10R1.113 O=C(O)C1COCC(O)C1 Amb27810785 [0,0,0,1,1,0|2,0,0]=4 1870 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 Amb22899464 [0,0,0,1,1,0|2,0,0]=4 1871 B10R1.113 O=C(O)[C@@H]1CCC[C@H](Br)C1 Amb28053594 [0,0,0,1,1,0|2,0,0]=4 1872 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 Amb28059041 [0,0,0,1,1,0|2,0,0]=4 1873 B10R1.113 O=C(O)[C@@H]1CNC[C@@H](O)C1 Amb27186916 [0,0,0,1,1,0|1,0,0]=3 1874 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Amb27447199 [0,0,0,1,1,0|1,0,0]=3 1875 B10R1.113 O=C(O)[C@@H]1CNC[C@H](O)C1 Amb27188671 [0,0,0,1,1,0|1,0,0]=3 1876 B10R1.113 O=C(O)[C@@H]1C[C@H](O)CNN1 Amb25949203 [0,0,0,1,1,0|2,0,0]=4 1877 B10R1.113 O=C(O)[C@H]1CCC[C@@H](Cl)C1 Amb28436868 [0,0,0,1,1,0|2,0,0]=4 1878 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 Amb22899465 [0,0,0,1,1,0|2,0,0]=4 1879 B10R1.113 O=C(O)[C@H]1CCC[C@H](Cl)C1 Amb28385610 [0,0,0,1,1,0|2,0,0]=4 1880 B10R1.113 O=C(O)[C@H]1C[C@H](O)CNN1 Amb27450594 [0,0,0,1,1,0|2,0,0]=4 1881 B10R1.113 O=C1CNCC(C(=O)O)C1 Amb27244770 [0,0,0,1,1,0|1,0,1]=4 1882 B10R1.214 CC1CC1C(CN)C(=O)O Amb33145043 [0,0,0,1,1,0|0,0,0]=2 1883 B10R1.214 CCC(C(=O)O)C1CC1C Amb26951804 [0,0,0,1,1,0|1,0,0]=3 1884 B10R1.234 CC(C)C1(CN)CC(O)C1 Amb33360291 [0,0,0,1,1,0|1,0,1]=4 1885 B10R1.234 CC1CC(C#N)(C(=O)O)C1 Amb20668855 [0,0,0,1,1,0|0,0,2]=4 1886 B10R1.234 CC1CC(CN)(C(=O)O)C1 Amb24586159 [0,0,0,1,1,0|0,0,0]=2 1887 B10R1.234 CC1CC(CO)(C(=O)O)C1 Amb23453486 [0,0,0,1,1,0|1,0,0]=3 1888 B10R1.234 CCC1(C(=O)O)CC(C)C1 Amb23448799 [0,0,0,1,1,0|1,0,0]=3 1889 B10R1.234 CCC1(C(=O)O)CC(N)C1 Amb33204269 [0,0,0,1,1,0|2,0,0]=4 1890 B10R1.234 CCC1(C(=O)O)CC(O)C1 Amb33314635 [0,0,0,1,1,0|2,0,0]=4 1891 B10R1.234 CN1CC(CN)(C(=O)O)C1 Amb27419812 [0,0,0,1,1,0|1,0,0]=3 1892 B10R1.234 CN1CC(CN)(C(N)=O)C1 Amb27796681 [0,0,0,1,1,0|2,0,0]=4 1893 B10R1.234 CSC1(C(=O)O)CC(C)C1 Amb28126735 [0,0,0,1,1,0|2,0,0]=4 1894 B10R1.234 NC1CC(CF)(C(=O)O)C1 Amb33378696 [0,0,0,1,1,0|2,0,0]=4 1895 B10R1.234 NCC1(C(=O)O)CC(=O)C1 Amb26392240 [0,0,0,1,1,0|1,0,1]=4 1896 B10R1.234 NCC1(C(=O)O)CC(O)C1 Amb24413153 [0,0,0,1,1,0|1,0,0]=3 1897 B10R1.234 NCC1(C(=O)O)CC(O)C1 Amb32932455 [0,0,0,1,1,0|1,0,0]=3 1898 B10R1.234 O=C(O)C1(CF)CC(O)C1 Amb33224256 [0,0,0,1,1,0|2,0,0]=4 1899 B10R1.234 O=C(O)C1(CO)CC(F)C1 Amb32946224 [0,0,0,1,1,0|2,0,0]=4 1900 B10R1.242 C=C(C)C1(CN)CC1(C)C Amb33199245 [0,0,0,1,1,0|2,0,0]=4 1901 B10R1.242 CC(O)C1(CN)CC1(C)C Amb32694168 [0,0,0,1,1,0|1,0,1]=4 1902 B10R1.242 CC1(C)CC1(C#N)C(=O)O Amb23541307 [0,0,0,1,1,0|0,0,2]=4 1903 B10R1.242 CC1(C)CC1(CF)C(=O)O Amb33379273 [0,0,0,1,1,0|1,0,0]=3 1904 B10R1.242 CC1(C)CC1(CN)C(=O)O Amb27874008 [0,0,0,1,1,0|0,0,0]=2 1905 B10R1.242 CC1(C)CC1(CO)C(=O)O Amb28368752 [0,0,0,1,1,0|1,0,0]=3 1906 B10R1.242 CCC1(C(=O)O)CC1(C)C Amb33358337 [0,0,0,1,1,0|1,0,0]=3 1907 B10R1.242 CCC1(C(=O)O)OC1(C)C Amb26352207 [0,0,0,1,1,0|2,0,0]=4 1908 B10R1.242 NCC1(C(=O)O)CC1(F)F Amb33086100 [0,0,0,1,1,0|2,0,0]=4 1909 B10R1.242 NCC1(C(=O)O)CC1(F)F Amb33483162 [0,0,0,1,1,0|2,0,0]=4 1910 B10R1.287 CC(=O)CC1C(Br)C1(C)C Amb27449918 [0,0,0,1,1,0|2,0,0]=4 1911 B10R1.287 CC(=O)CC1C(C)C1(C)C Amb27618224 [0,0,0,1,1,0|2,0,0]=4 1912 B10R1.287 CC(=O)C[C@@H]1[C@H](Cl)C1(C)C Amb28384132 [0,0,0,1,1,0|2,0,0]=4 1913 B10R1.288 CC1(C)CC(C(N)=O)C1N Amb25743195 [0,0,0,1,1,0|1,0,0]=3 1914 B10R1.288 CC1(C)C[C@H](C(=O)O)[C@H]1N Amb25313341 [0,0,0,1,1,0|0,0,0]=2 1915 B10R1.288 CC1(C)OC(C(=O)O)C1Br Amb27174290 [0,0,0,1,1,0|2,0,0]=4 1916 B10R1.359 CC(=O)C1CCC(C)(C)C1 Amb25136434 [0,0,0,1,1,0|2,0,0]=4 1917 B10R1.359 CC1(C)CC(C(=O)Cl)CO1 Amb27469419 [0,0,0,1,1,0|2,0,0]=4 1918 B10R1.359 CC1(C)CC(C(=O)O)CO1 Amb24312661 [0,0,0,1,1,0|1,0,0]=3 1919 B10R1.359 CC1(C)CCC(C(=O)O)C1 Amb33545093 [0,0,0,1,1,0|1,0,0]=3 1920 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb17593611 [0,0,0,1,1,0|2,0,0]=4 1921 B10R1.359 CC1(C)CCC(C(=O)O)N1 Amb22755806 [0,0,0,1,1,0|2,0,0]=4 1922 B10R1.359 CC1(C)CCC(C(=O)O)O1 Amb23455423 [0,0,0,1,1,0|2,0,0]=4 1923 B10R1.359 CC1(C)CNC(C(=O)O)C1 Amb22756172 [0,0,0,1,1,0|2,0,0]=4 1924 B10R1.359 CC1(C)CNC(C(=O)O)C1 Amb33295174 [0,0,0,1,1,0|2,0,0]=4 1925 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 Amb24620405 [0,0,0,1,1,0|2,0,0]=4 1926 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 Amb20671421 [0,0,0,1,1,0|2,0,0]=4 1927 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 Amb22751658 [0,0,0,1,1,0|2,0,0]=4 1928 B10R1.359 CC1(C)COC(C(=O)O)C1 Amb35788745 [0,0,0,1,1,0|2,0,0]=4 1929 B10R1.359 CC1(C)NC(C(=O)O)CS1 Amb1155998 [0,0,0,1,1,0|2,0,0]=4 1930 B10R1.359 CC1(C)NC(C(=O)O)CS1 Amb9749517 [0,0,0,1,1,0|2,0,0]=4 1931 B10R1.359 CC1(C)N[C@H](C(=O)O)CO1 Amb27483148 [0,0,0,1,1,0|2,0,0]=4 1932 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 Amb2719501 [0,0,0,1,1,0|2,0,0]=4 1933 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 Amb29838195 [0,0,0,1,1,0|2,0,0]=4 1934 B10R1.359 CC1(C)OCC(C(=O)O)O1 Amb10603493 [0,0,0,1,1,0|2,0,0]=4 1935 B10R1.359 CC1(C)OCC(C(=O)O)O1 Amb33719324 [0,0,0,1,1,0|2,0,0]=4 1936 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 Amb24411495 [0,0,0,1,1,0|2,0,0]=4 1937 B10R1.359 CC1(C)OC[C@H](C(=O)O)O1 Amb22745866 [0,0,0,1,1,0|2,0,0]=4 1938 B10R1.359 C[Si]1(C)CCC(C(=O)O)C1 Amb29837961 [0,0,0,1,1,0|1,1,0]=4 1939 B10R1.361 CC(C)C1CNC1C(=O)O Amb28077011 [0,0,0,1,1,0|0,0,0]=2 1940 B10R1.361 CC(C)N1CC[C@@H]1C(=O)O Amb23399601 [0,0,0,1,1,0|2,0,0]=4 1941 B10R1.361 CC(C)N1CC[C@H]1C(=O)O Amb25113865 [0,0,0,1,1,0|2,0,0]=4 1942 B10R1.361 CC(C)[C@H]1CN[C@@H]1C(=O)O Amb27420151 [0,0,0,1,1,0|0,0,0]=2 1943 B10R1.361 CN(C)C1CCC1C(=O)O Amb28186056 [0,0,0,1,1,0|2,0,0]=4 1944 B10R1.442 CC(=O)C1(CC(C)C)CC1 Amb18062204 [0,0,0,1,1,0|2,0,0]=4 1945 B10R1.442 CC(C)C1(CC(=O)O)CC1 Amb18831636 [0,0,0,1,1,0|1,0,0]=3 1946 B10R1.442 CC(C)CC1(C(=O)O)CC1 Amb18062327 [0,0,0,1,1,0|1,0,0]=3 1947 B10R1.442 CC(C)NC1(C(=O)O)CC1 Amb27866279 [0,0,0,1,1,0|2,0,0]=4 1948 B10R1.442 CC(C)SC1(C(=O)O)CC1 Amb26396187 [0,0,0,1,1,0|2,0,0]=4 1949 B10R1.442 CN(C)CC1(C(=O)O)CC1 Amb17334215 [0,0,0,1,1,0|2,0,0]=4 1950 B10R1.442 CN(C)CC1(C(=O)O)CC1 Amb28555483 [0,0,0,1,1,0|2,0,0]=4 1951 B10R1.444 CC1(C)CC(=O)NC1CN Amb31252160 [0,0,0,1,1,0|2,0,0]=4 1952 B10R1.444 CC1(C)CC(=O)OC1CN Amb31156384 [0,0,0,1,1,0|2,0,0]=4 1953 B10R1.444 CC1(C)CC(=O)OC1CN Amb33494308 [0,0,0,1,1,0|2,0,0]=4 1954 B10R1.444 CC1(C)NC(=O)CC1CN Amb33483622 [0,0,0,1,1,0|1,0,0]=3 1955 B10R1.444 CC1(C)NC(=O)CC1CO Amb27782126 [0,0,0,1,1,0|2,0,0]=4 1956 B10R1.444 CC1(C)OC(=O)CC1C#N Amb582231 [0,0,0,1,1,0|0,0,2]=4 1957 B10R1.444 CC1(C)OC(=O)CC1CO Amb27763871 [0,0,0,1,1,0|1,0,0]=3 1958 B10R1.444 CC1(C)OC(=O)NC1CO Amb27218130 [0,0,0,1,1,0|2,0,0]=4 1959 B10R1.444 CCC1CC(=O)CC1(C)C Amb27861292 [0,0,0,1,1,0|2,0,0]=4 1960 B10R1.444 CCC1CC(=O)NC1(C)C Amb28050911 [0,0,0,1,1,0|2,0,0]=4 1961 B10R1.444 CC[C@H]1CC(=O)CC1(C)C Amb27434279 [0,0,0,1,1,0|2,0,0]=4 1962 B10R1.469 CC(=O)C(CN)CC1CC1 Amb33308002 [0,0,0,1,1,0|1,0,0]=3 1963 B10R1.469 CCC(CC1CC1)C(=O)O Amb18831634 [0,0,0,1,1,0|1,0,0]=3 1964 B10R1.469 CCC(CC1CC1)C(C)=O Amb27250010 [0,0,0,1,1,0|2,0,0]=4 1965 B10R1.469 CCC(SC1CC1)C(=O)O Amb27960276 [0,0,0,1,1,0|2,0,0]=4 1966 B10R1.469 CN[C@H](CC1CC1)C(=O)O Amb33347474 [0,0,0,1,1,0|2,0,0]=4 1967 B10R1.469 COC(CC1CC1)C(=O)O Amb25243296 [0,0,0,1,1,0|2,0,0]=4 1968 B10R1.469 N#CC(CC1CC1)C(=O)O Amb25216051 [0,0,0,1,1,0|0,0,2]=4 1969 B10R1.469 NCC(CC1CC1)C(=O)O Amb19021768 [0,0,0,1,1,0|0,0,0]=2 1970 B10R1.469 NCC(CC1CC1)C(=O)O Amb28555450 [0,0,0,1,1,0|0,0,0]=2 1971 B10R1.469 NCC(CC1CC1)C(N)=O Amb27424967 [0,0,0,1,1,0|1,0,0]=3 1972 B10R1.469 NOC(CC1CC1)C(=O)O Amb32660233 [0,0,0,1,1,0|1,0,0]=3 1973 B10R1.469 O=C(O)C(CO)NC1CC1 Amb27266189 [0,0,0,1,1,0|2,0,0]=4 1974 B12R1.11 CC(=O)N1CC(C)CC(CO)C1 Amb27656033 [0,0,0,1,0,1|2,0,0]=4 1975 B12R1.11 CC(=O)N1CC(C)OC(CN)C1 Amb27750674 [0,0,0,1,0,1|2,0,0]=4 1976 B12R1.11 CC(=O)N1CC(O)CC(CN)C1 Amb32685184 [0,0,0,1,0,1|2,0,0]=4 1977 B12R1.11 CCC1CC(C(=O)O)CC(C)N1 Amb33275598 [0,0,0,1,0,1|2,0,0]=4 1978 B12R1.11 CCC1CC(C)CC(C(=O)O)N1 Amb28251098 [0,0,0,1,0,1|1,0,0]=3 1979 B12R1.11 O=C(O)C1CC(O)CC(CO)N1 Amb27440466 [0,0,0,1,0,1|2,0,0]=4 1980 B12R1.46 CCC1CCC(=O)CC1C(C)C Amb32865458 [0,0,0,1,0,1|2,0,0]=4 1981 B12R1.46 CCC1CCC(C)NC1C(=O)O Amb33072388 [0,0,0,1,0,1|2,0,0]=4 1982 B12R1.46 CCC1CCC(N)CC1C(=O)O Amb32866426 [0,0,0,1,0,1|2,0,0]=4 1983 B12R1.46 CCC1CCC(O)CC1C(=O)O Amb32867808 [0,0,0,1,0,1|2,0,0]=4 1984 B12R1.46 CCC1NCC(C)CC1C(=O)O Amb27218515 [0,0,0,1,0,1|1,0,0]=3 1985 B12R1.65 CCC1CC(C)CN1CC(=O)O Amb28453870 [0,0,0,1,0,1|1,0,0]=3 1986 B12R1.65 CCC1CC(C)CN1CC(N)=O Amb28064830 [0,0,0,1,0,1|2,0,0]=4 1987 B12R1.65 NCC1CC(F)CN1CC(N)=O Amb26606202 [0,0,0,1,0,1|2,0,0]=4 1988 B12R1.65 NCC1CC(F)CN1CC(N)=O Amb32753195 [0,0,0,1,0,1|2,0,0]=4 1989 B12R1.65 NC[C@@H]1C[C@@H](F)CN1CC(N)=O Amb32951223 [0,0,0,1,0,1|2,0,0]=4 1990 B12R1.65 NC[C@@H]1C[C@H](F)CN1CC(N)=O Amb32952918 [0,0,0,1,0,1|2,0,0]=4 1991 B12R1.65 NC[C@@H]1C[C@H](F)CN1CC(N)=O Amb33457575 [0,0,0,1,0,1|2,0,0]=4 1992 B12R1.65 O=C(O)CN1CC(O)CC1CO Amb30040305 [0,0,0,1,0,1|2,0,0]=4 1993 B12R1.226 C=C(Br)CNC1CNCC(C)C1 Amb30018306 [0,0,0,1,0,1|2,0,0]=4 1994 B12R1.226 C=C(C)CNC1CNCC(C)C1 Amb30018287 [0,0,0,1,0,1|2,0,0]=4 1995 B12R1.226 C=C(Cl)CNC1CNCC(C)C1 Amb30018305 [0,0,0,1,0,1|2,0,0]=4 1996 B12R1.226 CC(=O)COC1CCCC(C)C1 Amb9667432 [0,0,0,1,0,1|2,0,0]=4 1997 B12R1.226 CC(=O)NCC1CCCC(C)C1 Amb27758968 [0,0,0,1,0,1|2,0,0]=4 1998 B12R1.226 CC(=O)NCC1CNCC(O)C1 Amb32685180 [0,0,0,1,0,1|2,0,0]=4 1999 B12R1.226 CC(C)CC[C@H]1CCCC(=O)C1 Amb28253824 [0,0,0,1,0,1|2,0,0]=4 2000 B12R1.226 CC(C)OCC1CCNC(=O)C1 Amb32654948 [0,0,0,1,0,1|2,0,0]=4 2001 B12R1.226 CC(C)SCC1CCCC(=O)C1 Amb35699381 [0,0,0,1,0,1|2,0,0]=4 2002 B12R1.226 CC(O)CNC1CNCC(C)C1 Amb30018302 [0,0,0,1,0,1|1,0,1]=4 2003 B12R1.226 CC1CC(NCC(=O)O)CCN1 Amb35734340 [0,0,0,1,0,1|2,0,0]=4 2004 B12R1.226 CC1CC=CC(CCC(=O)O)C1 Amb18126541 [0,0,0,1,0,1|1,0,1]=4 2005 B12R1.226 CC1CCCC(C#CC(=O)O)C1 Amb27211583 [0,0,0,1,0,1|1,0,1]=4 2006 B12R1.226 CC1CCCC(CNC(=O)Cl)C1 Amb35625852 [0,0,0,1,0,1|2,0,0]=4 2007 B12R1.226 CC1CCCC(OCC(=O)O)C1 Amb7790070 [0,0,0,1,0,1|1,0,0]=3 2008 B12R1.226 CC1CCCC(OCC(N)=O)C1 Amb18802287 [0,0,0,1,0,1|2,0,0]=4 2009 B12R1.226 CC1CCCC(\C=C\C(=O)O)C1 Amb27770062 [0,0,0,1,0,1|1,0,1]=4 2010 B12R1.226 CC1CCCN(CCC(=O)O)C1 Amb2721890 [0,0,0,1,0,1|2,0,0]=4 2011 B12R1.226 CC1CCCN(CCC(=O)O)C1 Amb8428143 [0,0,0,1,0,1|2,0,0]=4 2012 B12R1.226 CC1CNCC(NCC(=O)O)C1 Amb30018298 [0,0,0,1,0,1|0,0,0]=2 2013 B12R1.226 CC1CNCC(NCC(N)=O)C1 Amb30018289 [0,0,0,1,0,1|1,0,0]=3 2014 B12R1.226 CC1CNCC(NC[C@@H](C)O)C1 Amb30018299 [0,0,0,1,0,1|1,0,1]=4 2015 B12R1.226 CC1CNCC(NC[C@H](C)O)C1 Amb30018300 [0,0,0,1,0,1|1,0,1]=4 2016 B12R1.226 CC1CSCC(OCC(=O)O)C1 Amb24411066 [0,0,0,1,0,1|1,0,0]=3 2017 B12R1.226 CN1CCCC(CCC(=O)O)C1 Amb10607786 [0,0,0,1,0,1|2,0,0]=4 2018 B12R1.226 CN1CCCC(CCC(=O)O)C1 Amb22587003 [0,0,0,1,0,1|2,0,0]=4 2019 B12R1.226 CN1CCCC(NCC(=O)O)C1 Amb22224827 [0,0,0,1,0,1|2,0,0]=4 2020 B12R1.226 CN1CCCC(OCC(=O)O)C1 Amb6739941 [0,0,0,1,0,1|2,0,0]=4 2021 B12R1.226 CN1CCC[C@@H](NCC(=O)O)C1 Amb22224743 [0,0,0,1,0,1|2,0,0]=4 2022 B12R1.226 CN1CCC[C@@H](OCC(=O)O)C1 Amb22224744 [0,0,0,1,0,1|2,0,0]=4 2023 B12R1.226 CN1CCC[C@H](NCC(=O)O)C1 Amb22224776 [0,0,0,1,0,1|2,0,0]=4 2024 B12R1.226 CN1CCC[C@H](OCC(=O)O)C1 Amb22224777 [0,0,0,1,0,1|2,0,0]=4 2025 B12R1.226 C[C@@H]1CCC[C@@H](OCC(=O)O)C1 Amb27791265 [0,0,0,1,0,1|1,0,0]=3 2026 B12R1.226 C[C@H]1CCC[C@@H](CCC(N)=O)C1 Amb28384086 [0,0,0,1,0,1|2,0,0]=4 2027 B12R1.226 NC1CCCC(CCC(=O)O)C1 Amb9805890 [0,0,0,1,0,1|2,0,0]=4 2028 B12R1.226 NC1CCCC(NCC(=O)O)C1 Amb27262074 [0,0,0,1,0,1|2,0,0]=4 2029 B12R1.226 NC1CCCC(OCC(=O)O)C1 Amb25340337 [0,0,0,1,0,1|2,0,0]=4 2030 B12R1.226 N[C@@H]1CCC[C@@H](CCC(=O)O)C1 Amb27657525 [0,0,0,1,0,1|2,0,0]=4 2031 B12R1.226 N[C@H]1CCC[C@H](CCC(=O)O)C1 Amb27881807 [0,0,0,1,0,1|2,0,0]=4 2032 B12R1.233 CC(=O)CC1COC(C)CC1O Amb27164657 [0,0,0,1,0,1|2,0,0]=4 2033 B12R1.233 CC(=O)C[C@H]1CO[C@H](C)C[C@@H]1O Amb27854915 [0,0,0,1,0,1|2,0,0]=4 2034 B12R1.233 CC(C)CC1CCC(=O)OC1=O Amb27770007 [0,0,0,1,0,1|1,0,1]=4 2035 B12R1.233 CC1=CCC(CC(=O)O)C(O)C1 Amb27873275 [0,0,0,1,0,1|1,0,1]=4 2036 B12R1.233 CC1=CC[C@H](CC(=O)O)[C@@H](O)C1 Amb27792491 [0,0,0,1,0,1|1,0,1]=4 2037 B12R1.233 CC1CCC(CC(=O)O)C(O)C1 Amb18198275 [0,0,0,1,0,1|1,0,0]=3 2038 B12R1.233 CC1CN(C)CCC1CC(=O)O Amb24570830 [0,0,0,1,0,1|2,0,0]=4 2039 B12R1.233 CN1CCC(CC(=O)O)C(O)C1 Amb18197972 [0,0,0,1,0,1|2,0,0]=4 2040 B12R1.389 CC(=O)CC1CCC(C(C)C)O1 Amb28144148 [0,0,0,1,0,1|2,0,0]=4 2041 B12R1.389 CC(C)=C1CCC(CC(=O)O)C1 Amb27178211 [0,0,0,1,0,1|1,0,1]=4 2042 B12R1.389 CC(C)C1CC(CC(=O)O)CO1 Amb35584731 [0,0,0,1,0,1|1,0,0]=3 2043 B12R1.389 CC(C)C1CCN(CC(=O)O)C1 Amb24469034 [0,0,0,1,0,1|2,0,0]=4 2044 B12R1.389 CC(C)CC1CCN(C(=O)Cl)C1 Amb28315899 [0,0,0,1,0,1|2,0,0]=4 2045 B12R1.389 CC(C)CC1NC(C(=O)O)CS1 Amb6262854 [0,0,0,1,0,1|2,0,0]=4 2046 B12R1.389 CC(C)CN1CCC(C(=O)O)C1 Amb18302804 [0,0,0,1,0,1|2,0,0]=4 2047 B12R1.389 CC(C)CN1CCC(C(=O)O)C1 Amb20633731 [0,0,0,1,0,1|2,0,0]=4 2048 B12R1.389 CC(C)NC1CC=C(C(=O)O)C1 Amb35587140 [0,0,0,1,0,1|2,0,0]=4 2049 B12R1.389 CC(C)N[C@@H]1CC[C@H](C(=O)O)C1 Amb27822808 [0,0,0,1,0,1|2,0,0]=4 2050 B12R1.389 CN(C)C[C@@H]1CC[C@H](C(=O)O)O1 Amb32750935 [0,0,0,1,0,1|2,0,0]=4 2051 B12R1.389 CN(C)C[C@@H]1CC[C@H](C(=O)O)O1 Amb33620698 [0,0,0,1,0,1|2,0,0]=4 2052 B12R1.389 CN(C)C[C@H]1CC[C@@H](C(=O)O)O1 Amb27855488 [0,0,0,1,0,1|2,0,0]=4 2053 B12R1.593 CC1(C)SC(CN)NC1C(=O)O Amb27392270 [0,0,0,1,0,1|1,0,0]=3 2054 B12R1.593 CC1(C)S[C@H](CN)N[C@H]1C(=O)O Amb27204840 [0,0,0,1,0,1|1,0,0]=3 2055 B12R1.593 CCC1NC(C(=O)O)C(C)(C)S1 Amb27758602 [0,0,0,1,0,1|2,0,0]=4 2056 B12R1.682 CC(C)OCC1(CN)CC(O)C1 Amb33273674 [0,0,0,1,0,1|1,0,1]=4 2057 B12R1.684 C=CC1(CC(=O)O)CCC(C)C1 Amb33097603 [0,0,0,1,0,1|1,0,1]=4 2058 B12R1.684 CC(C)CC1(CN)CNC(=O)C1 Amb25800856 [0,0,0,1,0,1|1,0,0]=3 2059 B12R1.684 CC1CC(CN)(CC(=O)O)CO1 Amb29850474 [0,0,0,1,0,1|0,0,0]=2 2060 B12R1.684 CC1CCC(CC(=O)O)(ON)C1 Amb33072029 [0,0,0,1,0,1|1,0,0]=3 2061 B12R1.684 CC1CCC(CN)(CC(=O)O)C1 Amb27974220 [0,0,0,1,0,1|0,0,0]=2 2062 B12R1.684 CC1CCC(CN)(CC(=O)O)C1 Amb33551308 [0,0,0,1,0,1|0,0,0]=2 2063 B12R1.684 CNC1(CC(=O)O)COC(C)C1 Amb29850469 [0,0,0,1,0,1|2,0,0]=4 2064 B12R1.684 C[C@@H]1CC[C@@](CN)(CC(=O)O)C1 Amb27477852 [0,0,0,1,0,1|0,0,0]=2 2065 B12R1.684 C[C@H]1CC[C@@](CN)(CC(=O)O)C1 Amb27968994 [0,0,0,1,0,1|0,0,0]=2 2066 B12R1.861 CC(C)COC1OC(=O)CC1N Amb27209005 [0,0,0,1,0,1|2,0,0]=4 2067 B12R1.861 CC(C)OCC1CC(=O)OC1=O Amb33274074 [0,0,0,1,0,1|1,0,1]=4 2068 B12R1.974 C[C@@H]1[C@@H](CC(=O)O)CCC1(C)C Amb27419978 [0,0,0,1,0,1|1,0,0]=3 2069 B12R1.1020 CC(C)CC1CCCC(=O)CC1 Amb27434284 [0,0,0,1,0,1|2,0,0]=4 2070 B12R1.1020 CC1CCCC(CC(=O)O)CC1 Amb25150903 [0,0,0,1,0,1|1,0,0]=3 2071 B12R1.1020 CN1CCCC(CC(=O)O)CC1 Amb18198562 [0,0,0,1,0,1|2,0,0]=4 2072 B12R1.1020 CN1CCCC(CC(=O)O)CC1 Amb33483549 [0,0,0,1,0,1|2,0,0]=4 2073 B12R1.1806 CC(=O)CCC1CCC(C)(C)C1 Amb33204211 [0,0,0,1,0,1|2,0,0]=4 2074 B12R1.1806 CC1(C)CCC(CCC(=O)O)C1 Amb33360819 [0,0,0,1,0,1|1,0,0]=3 2075 B12R1.1806 CC1(C)CCC(NCC(=O)O)C1 Amb27258545 [0,0,0,1,0,1|1,0,0]=3 2076 B12R1.1806 CC1(C)CCC(OCC(=O)O)C1 Amb33204182 [0,0,0,1,0,1|1,0,0]=3 2077 B12R1.1806 CC1(C)CCC(\C=C\C(=O)O)C1 Amb33360525 [0,0,0,1,0,1|1,0,1]=4 2078 B12R1.1806 CC1(C)COC(CCC(=O)O)C1 Amb25342863 [0,0,0,1,0,1|2,0,0]=4 2079 B12R1.1806 CC1(C)OCC(CCC(=O)O)O1 Amb20247170 [0,0,0,1,0,1|2,0,0]=4 2080 B12R1.1806 CC1(C)OCC(OCC(=O)O)O1 Amb33053794 [0,0,0,1,0,1|2,0,0]=4 2081 B12R1.1806 CC1(C)SCC(CCC(=O)O)S1 Amb27643501 [0,0,0,1,0,1|2,0,0]=4 2082 B12R1.1819 CC(=O)CC1CCC(C)(C)CC1 Amb25323824 [0,0,0,1,0,1|2,0,0]=4 2083 B12R1.1819 CC1(C)CCC(CC(=O)O)CC1 Amb33546096 [0,0,0,1,0,1|1,0,0]=3 2084 B12R1.1819 CC1(C)CCC(CC(=O)O)OC1 Amb32676800 [0,0,0,1,0,1|1,0,0]=3 2085 B12R1.1819 CC1(C)COC(CC(=O)O)CN1 Amb2699614 [0,0,0,1,0,1|0,0,0]=2 2086 B12R1.1819 CC1(C)COC(CC(=O)O)CN1 Amb35750096 [0,0,0,1,0,1|0,0,0]=2 2087 B12R1.1819 CC1(C)CO[C@@H](CC(=O)O)CN1 Amb2699609 [0,0,0,1,0,1|0,0,0]=2 2088 B12R1.1819 CC1(C)CO[C@H](CC(=O)O)CN1 Amb22747814 [0,0,0,1,0,1|0,0,0]=2 2089 B12R1.1819 CC1(F)CCC(CC(=O)O)CC1 Amb25311513 [0,0,0,1,0,1|2,0,0]=4 2090 B12R1.1819 CC1(O)CCC(CC(=O)O)CC1 Amb21520460 [0,0,0,1,0,1|2,0,0]=4 2091 B12R1.1993 CC1(C)CNC(CN)CS1(=O)=O Amb27791111 [0,0,0,1,0,1|1,0,1]=4 2092 B12R1.3108 CC(C)OCC1(CC(=O)O)CC1 Amb33449504 [0,0,0,1,0,1|1,0,0]=3 2093 B12R1.3108 CN(C)CCC1(CC(=O)O)CC1 Amb18198564 [0,0,0,1,0,1|2,0,0]=4 2094 B12R1.3867 CNC1(CC(=O)O)CCC1(C)C Amb27417011 [0,0,0,1,0,1|2,0,0]=4 2095 B12R1.127 CC(=O)NC1CC(C)CNC1C Amb29867207 [0,1,0,1,0,0|2,0,0]=4 2096 B12R1.127 CC(C)CC1CC(=O)CCC1C Amb32865265 [0,1,0,1,0,0|2,0,0]=4 2097 B12R1.127 CC(C)CC1CC(O)CNC1C Amb32759507 [0,1,0,1,0,0|1,0,1]=4 2098 B12R1.127 CC1CCC(=O)C(CC(=O)O)C1 Amb18647358 [0,1,0,1,0,0|1,0,1]=4 2099 B12R1.127 CC1CCC(C)C(CC(=O)O)C1 Amb25793973 [0,1,0,1,0,0|1,0,0]=3 2100 B12R1.127 CC1CCC(N)C(CC(=O)O)C1 Amb25210909 [0,1,0,1,0,0|0,0,0]=2 2101 B12R1.127 CC1CCC(O)C(CC(=O)O)C1 Amb18198283 [0,1,0,1,0,0|1,0,0]=3 2102 B12R1.127 CC1CN(CC(=O)O)C(C)CN1 Amb27175599 [0,1,0,1,0,0|2,0,0]=4 2103 B12R1.127 CC1CNC(C)C(NC(N)=O)C1 Amb35730087 [0,1,0,1,0,0|2,0,0]=4 2104 B12R1.127 CN1CCC(F)C(CC(=O)O)C1 Amb27624603 [0,1,0,1,0,0|2,0,0]=4 2105 B12R1.127 CN1CCC(N)C(CC(=O)O)C1 Amb32863474 [0,1,0,1,0,0|1,0,0]=3 2106 B12R1.127 CN1CCC(O)C(CC(=O)O)C1 Amb18197942 [0,1,0,1,0,0|2,0,0]=4 2107 B12R1.213 CC(C)C[C@@H]1C(=O)O[C@H]1C(=O)O Amb27428361 [0,1,0,1,0,0|1,0,1]=4 2108 B12R1.217 CC1CC1C(CC(=O)O)C(=O)O Amb33143854 [0,1,0,1,0,0|1,0,1]=4 2109 B12R1.217 CC1CC1C(CC(=O)O)C(F)F Amb32743589 [0,1,0,1,0,0|1,0,0]=3 2110 B12R1.844 CC(C)CC1CS(=O)(=O)CC1N Amb32679763 [0,1,0,1,0,0|1,0,1]=4 2111 B12R1.844 CC1(C)CC(CC(=O)O)C(=O)O1 Amb556792 [0,1,0,1,0,0|1,0,1]=4 2112 B12R1.844 CC1CC(C)(C)CC1CC(=O)O Amb24582393 [0,1,0,1,0,0|1,0,0]=3 2113 B12R1.844 C[C@@H]1OC(C)(C)O[C@@H]1CC(=O)O Amb28344688 [0,1,0,1,0,0|2,0,0]=4 2114 B12R1.844 C[C@@H]1OC(C)(C)O[C@H]1CC(=O)O Amb27427728 [0,1,0,1,0,0|2,0,0]=4 2115 B12R1.850 CC(C)C1CC(=O)CC1C(C)C Amb27835345 [0,1,0,1,0,0|2,0,0]=4 2116 B12R1.850 CC(C)C1NC(=O)OC1C(C)C Amb27790690 [0,1,0,1,0,0|2,0,0]=4 2117 B12R1.850 CC(C)[C@@H]1CN(C)C[C@H]1C(=O)O Amb32946182 [0,1,0,1,0,0|2,0,0]=4 2118 B12R1.850 CC(C)[C@@H]1NC(=O)O[C@@H]1C(C)C Amb27490851 [0,1,0,1,0,0|2,0,0]=4 2119 B12R1.850 CC1CC(C(=O)O)C(C(=O)O)C1 Amb25246178 [0,1,0,1,0,0|1,0,1]=4 2120 B12R1.852 CC(O)CC1CC(=O)OC1(C)C Amb28064036 [0,1,0,1,0,0|2,0,0]=4 2121 B12R1.852 CC1CN(CC(=O)O)C(C)(C)C1 Amb27970738 [0,1,0,1,0,0|2,0,0]=4 2122 B12R1.1043 CC1CC(CC(=O)O)(C(=O)O)C1 Amb32946550 [0,1,0,1,0,0|1,0,1]=4 2123 B12R1.1219 CC(C)[C@H]1CC(=O)OC[C@H](C)C1 Amb27779415 [0,1,0,1,0,0|1,0,0]=3 2124 B12R1.1383 CC(C)C1[C@H](C(=O)O)[C@H]1C(=O)O Amb27985004 [0,1,0,1,0,0|1,0,1]=4 2125 B12R1.1822 CC(C)CC1C(C(=O)O)C1(C)C Amb25111180 [0,1,0,1,0,0|1,0,0]=3 2126 B12R1.1822 CC(C)CC1C(C(N)=O)C1(C)C Amb27250707 [0,1,0,1,0,0|2,0,0]=4 2127 B12R1.1822 CC(C)C[C@@H]1[C@@H](C(=O)O)C1(C)C Amb25986368 [0,1,0,1,0,0|1,0,0]=3 2128 B12R1.1822 CC(C)C[C@H]1[C@@H](C(=O)O)C1(C)C Amb27419959 [0,1,0,1,0,0|1,0,0]=3 2129 B12R1.1822 CC(O)C[C@@H]1[C@H](C(=O)O)C1(C)C Amb27645462 [0,1,0,1,0,0|2,0,0]=4 2130 B12R1.1833 CC(C)C1(CC(=O)O)CC1(C)C Amb25179933 [0,1,0,1,0,0|1,0,0]=3 2131 B12R1.3005 CC(C)[C@H]1CC(C)(C)OC(=O)N1 Amb28040915 [0,1,0,1,0,0|2,0,0]=4 2132 B12R1.3579 O=C(O)CC(CC1CC1)C(=O)O Amb33172195 [0,1,0,1,0,0|1,0,1]=4 2133 B12R1.42 C=CC[C@@H]1CC(=O)CC(C)(C)C1 Amb27751111 [0,1,0,1,0,0|2,0,0]=4 2134 B12R1.42 CC1(C)CC(=O)CC(CC=O)C1 Amb28287705 [0,1,0,1,0,0|2,0,0]=4 2135 B12R1.101 C=C1CC(C)CC(CC(C)=O)C1 Amb28202131 [0,1,0,1,0,0|2,0,0]=4 2136 B12R1.101 CC(C)CC1CC(=O)CC(=O)C1 Amb2688909 [0,1,0,1,0,0|2,0,0]=4 2137 B12R1.101 CC(C)CC1CC(=O)CC(C)C1 Amb27178023 [0,1,0,1,0,0|2,0,0]=4 2138 B12R1.101 CC(C)CC1CC(=O)NC(=O)C1 Amb20669161 [0,1,0,1,0,0|2,0,0]=4 2139 B12R1.101 CC(C)CC1CC(=O)OC(=O)C1 Amb22728839 [0,1,0,1,0,0|1,0,0]=3 2140 B12R1.101 CC(C)CC1CC(=O)OC(=O)N1 Amb27193047 [0,1,0,1,0,0|1,0,1]=4 2141 B12R1.101 CC(C)C[C@H]1CC(=O)OC(=O)N1 Amb28068639 [0,1,0,1,0,0|1,0,1]=4 2142 B12R1.101 CC1C=C(CC(=O)O)CC(C)C1 Amb28321821 [0,1,0,1,0,0|1,0,1]=4 2143 B12R1.101 CC1CC(C)CC(CC(=O)O)C1 Amb26333136 [0,1,0,1,0,0|1,0,0]=3 2144 B12R1.101 CC1CC(C)CC(CC(N)=O)C1 Amb25152327 [0,1,0,1,0,0|2,0,0]=4 2145 B12R1.101 CC1CC(C)CN(CC(=O)O)C1 Amb5775209 [0,1,0,1,0,0|2,0,0]=4 2146 B12R1.101 CC1CC(CC(=O)O)CC(C)O1 Amb16230687 [0,1,0,1,0,0|2,0,0]=4 2147 B12R1.101 CC1CC(N)CN(CC(=O)O)C1 Amb28454019 [0,1,0,1,0,0|1,0,0]=3 2148 B12R1.101 CC1CC(N)CN(CC(N)=O)C1 Amb27981224 [0,1,0,1,0,0|2,0,0]=4 2149 B12R1.101 CC1CC(O)CN(CC(=O)O)C1 Amb28142572 [0,1,0,1,0,0|2,0,0]=4 2150 B12R1.101 C[C@H]1CC(CC(=O)O)C[C@@H](C)O1 Amb24571705 [0,1,0,1,0,0|2,0,0]=4 2151 B12R1.101 C[C@H]1C[C@H](CC(=O)O)C[C@@H](C)N1 Amb27985936 [0,1,0,1,0,0|2,0,0]=4 2152 B12R1.276 CCC[C@@H]1CN(C)C[C@H]1C(=O)O Amb32946188 [0,1,0,1,0,0|2,0,0]=4 2153 B12R1.276 CCOC1CN(C)CC1C(=O)O Amb29869690 [0,1,0,1,0,0|2,0,0]=4 2154 B12R1.392 C=C(C)[C@H]1CNC[C@@H]1CC(=O)O Amb27657731 [0,1,0,1,0,0|0,0,2]=4 2155 B12R1.392 CC(=O)C1CNCC1CC(=O)O Amb25674207 [0,1,0,1,0,0|1,0,1]=4 2156 B12R1.392 CC(=O)C[C@@H]1COC[C@@H]1C(C)C Amb27844314 [0,1,0,1,0,0|2,0,0]=4 2157 B12R1.392 CC(=O)NC1CNCC1C(C)C Amb28208328 [0,1,0,1,0,0|2,0,0]=4 2158 B12R1.392 CC(C)C1CNCC1CC(=O)O Amb27437874 [0,1,0,1,0,0|0,0,0]=2 2159 B12R1.392 CC(C)C1COCC1CC(=O)O Amb35631917 [0,1,0,1,0,0|1,0,0]=3 2160 B12R1.392 CC(C)C1SCCC1CC(=O)O Amb18820673 [0,1,0,1,0,0|1,0,0]=3 2161 B12R1.392 CC(C)CC1CNCC1C(=O)O Amb18198569 [0,1,0,1,0,0|0,0,0]=2 2162 B12R1.392 CC(C)CN1CC=CC1C(=O)O Amb27650560 [0,1,0,1,0,0|2,0,0]=4 2163 B12R1.392 CC(C)CN1CCCC1C(=O)O Amb22585666 [0,1,0,1,0,0|2,0,0]=4 2164 B12R1.392 CC(C)CN1CCCC1C(=O)O Amb2372387 [0,1,0,1,0,0|2,0,0]=4 2165 B12R1.392 CC(C)CN1CCC[C@@H]1C(=O)O Amb23401416 [0,1,0,1,0,0|2,0,0]=4 2166 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O Amb25281207 [0,1,0,1,0,0|2,0,0]=4 2167 B12R1.392 CC(C)CN1CCSC1C(=O)O Amb27215632 [0,1,0,1,0,0|2,0,0]=4 2168 B12R1.392 CC(C)C[C@@H]1CNC[C@H]1C(=O)O Amb28057737 [0,1,0,1,0,0|0,0,0]=2 2169 B12R1.392 CC(C)C[C@H]1CNC[C@@H]1C(=O)O Amb26896037 [0,1,0,1,0,0|0,0,0]=2 2170 B12R1.392 CC(C)N1CCCC1CC(=O)O Amb33550220 [0,1,0,1,0,0|2,0,0]=4 2171 B12R1.392 CC(C)NC1CCCC1C(=O)O Amb27241843 [0,1,0,1,0,0|2,0,0]=4 2172 B12R1.392 CC(C)N[C@@H]1CCC[C@@H]1C(=O)O Amb35659612 [0,1,0,1,0,0|2,0,0]=4 2173 B12R1.392 CC(C)SC1CCCC1C(=O)O Amb19002581 [0,1,0,1,0,0|2,0,0]=4 2174 B12R1.392 CC(C)[C@H]1CNC[C@@H]1CC(=O)O Amb27781497 [0,1,0,1,0,0|0,0,0]=2 2175 B12R1.392 CN(C)C1CCCC1CC(=O)O Amb18198574 [0,1,0,1,0,0|2,0,0]=4 2176 B12R1.392 CN(C)C1COCC1CC(=O)O Amb27178145 [0,1,0,1,0,0|2,0,0]=4 2177 B12R1.392 CN(C)CC1CCCC1C(=O)O Amb27968542 [0,1,0,1,0,0|2,0,0]=4 2178 B12R1.392 CN(C)CC1CNCC1C(N)=O Amb27850731 [0,1,0,1,0,0|2,0,0]=4 2179 B12R1.392 CN(C)C[C@@H]1CCC[C@@H]1C(=O)O Amb27495360 [0,1,0,1,0,0|2,0,0]=4 2180 B12R1.392 CN(C)C[C@@H]1CNC[C@H]1C(N)=O Amb27644095 [0,1,0,1,0,0|2,0,0]=4 2181 B12R1.392 CN(C)[C@@H]1CCC[C@H]1CC(=O)O Amb28456463 [0,1,0,1,0,0|2,0,0]=4 2182 B12R1.874 CC1CSCCN(CC(=O)O)C1 Amb27491050 [0,1,0,1,0,0|2,0,0]=4 2183 B12R1.1006 CC(=O)NC1CN(C)C(C)(C)C1 Amb35596313 [0,1,0,1,0,0|2,0,0]=4 2184 B12R1.1006 CN1CC(CC(=O)O)CC1(C)C Amb35738651 [0,1,0,1,0,0|0,0,0]=2 2185 B12R1.1006 CN1CC(NC(=O)Cl)CC1(C)C Amb35596466 [0,1,0,1,0,0|2,0,0]=4 2186 B12R1.1006 CN1CC(NC(N)=O)CC1(C)C Amb30035343 [0,1,0,1,0,0|2,0,0]=4 2187 B12R1.1006 CN1C\C(=C/C(=O)O)CC1(C)C Amb30022741 [0,1,0,1,0,0|0,0,2]=4 2188 B12R1.1157 C=CC[C@@H]1CC(=O)CC[C@@H](C)C1 Amb28074673 [0,1,0,1,0,0|2,0,0]=4 2189 B12R1.1157 CCC[C@@H]1CC(=O)CC[C@H](C)C1 Amb28074675 [0,1,0,1,0,0|2,0,0]=4 2190 B12R1.1490 CC1CC(CC(=O)O)(NC=O)C1 Amb32787780 [0,1,0,1,0,0|1,0,1]=4 2191 B12R1.1531 O=CNC(CC(=O)O)CC1CC1 Amb33254804 [0,1,0,1,0,0|1,0,1]=4 2192 B12R1.1821 CC(=O)CC1CCCC(C)(C)C1 Amb32725141 [0,1,0,1,0,0|2,0,0]=4 2193 B12R1.1821 CC1(C)C=CCC(CC(=O)O)C1 Amb18647042 [0,1,0,1,0,0|1,0,0]=3 2194 B12R1.1821 CC1(C)CC(CC(=O)O)CCO1 Amb17594313 [0,1,0,1,0,0|1,0,0]=3 2195 B12R1.1821 CC1(C)CC(CC(=O)O)CCS1 Amb18820663 [0,1,0,1,0,0|1,0,0]=3 2196 B12R1.1821 CC1(C)CC=CC(CC(=O)O)C1 Amb27878749 [0,1,0,1,0,0|1,0,1]=4 2197 B12R1.1821 CC1(C)CCC=C(CC(=O)O)C1 Amb28122822 [0,1,0,1,0,0|1,0,1]=4 2198 B12R1.1821 CC1(C)CCCC(CC(=O)O)C1 Amb33546123 [0,1,0,1,0,0|1,0,0]=3 2199 B12R1.1821 CC1(C)CCCC(CC(=O)O)O1 Amb26883258 [0,1,0,1,0,0|2,0,0]=4 2200 B12R1.1821 CC1(C)CNCC(CC(=O)O)O1 Amb26339150 [0,1,0,1,0,0|1,0,0]=3 2201 B12R1.1821 CC1(C)CNCC(CC(=O)O)O1 Amb33483570 [0,1,0,1,0,0|1,0,0]=3 2202 B12R1.1821 CC1(C)CNCC(CC(N)=O)O1 Amb33299298 [0,1,0,1,0,0|2,0,0]=4 2203 B12R1.1821 CC1(C)CNCC(CC(N)=O)O1 Amb33299299 [0,1,0,1,0,0|2,0,0]=4 2204 B12R1.1821 CC1(C)COCC(CC(=O)O)O1 Amb32992748 [0,1,0,1,0,0|2,0,0]=4 2205 B12R1.1821 CC1(C)CSCC(CC(=O)O)C1 Amb27653818 [0,1,0,1,0,0|1,0,0]=3 2206 B12R1.1821 CC1(F)CCCC(CC(=O)O)C1 Amb27429076 [0,1,0,1,0,0|1,0,0]=3 2207 B12R1.1821 CC1(O)CCCN(CC(=O)O)C1 Amb28125068 [0,1,0,1,0,0|2,0,0]=4 2208 B12R1.1821 O=C(O)CC1CCCC(F)(F)C1 Amb26373444 [0,1,0,1,0,0|2,0,0]=4 2209 B12R1.1821 O=C(O)CC1CNCC(F)(F)C1 Amb28422721 [0,1,0,1,0,0|1,0,0]=3 2210 B12R1.1821 O=C(O)C[C@@H]1CCCC(F)(F)C1 Amb34912970 [0,1,0,1,0,0|2,0,0]=4 2211 B12R1.1821 O=C(O)C[C@H]1CCCC(F)(F)C1 Amb34912972 [0,1,0,1,0,0|2,0,0]=4 2212 B12R1.1826 CC(C)CC1(CC(=O)O)CCC1 Amb33203521 [0,1,0,1,0,0|1,0,0]=3 2213 B12R1.2192 CC1CC1C(CC(=O)O)NC=O Amb33255272 [0,1,0,1,0,0|1,0,1]=4 2214 B12R1.2192 CC1CC1[C@@H](CC(=O)O)NC=O Amb32787384 [0,1,0,1,0,0|1,0,1]=4 2215 B12R1.2192 CC1CC1[C@H](CC(=O)O)NC=O Amb33255385 [0,1,0,1,0,0|1,0,1]=4 2216 B12R1.19 CC1CC(CC(=O)O)CCN1C Amb18198572 [0,1,0,1,0,0|1,0,0]=3 2217 B12R1.19 CC1CCC(CC(=O)O)CC1C Amb27870924 [0,1,0,1,0,0|1,0,0]=3 2218 B12R1.19 CC1NCC(CC(=O)O)OC1C Amb27228107 [0,1,0,1,0,0|1,0,0]=3 2219 B12R1.50 CC1CCCC(CC(=O)CN)C1 Amb27426781 [0,1,0,1,0,0|2,0,0]=4 2220 B12R1.50 CC1CCCC(OC(=O)CO)C1 Amb27790164 [0,1,0,1,0,0|2,0,0]=4 2221 B12R1.50 CCC(C)OC1CNNC(=O)C1 Amb27405370 [0,1,0,1,0,0|2,0,0]=4 2222 B12R1.50 CNC(=O)CC1CCCC(C)C1 Amb27178917 [0,1,0,1,0,0|2,0,0]=4 2223 B12R1.50 CNC(=O)NC1CNCC(C)C1 Amb27403291 [0,1,0,1,0,0|2,0,0]=4 2224 B12R1.50 CNC(C)CC1CCNC(=O)C1 Amb27762947 [0,1,0,1,0,0|2,0,0]=4 2225 B12R1.50 COC(=O)CC1CC(C)CCN1 Amb26517872 [0,1,0,1,0,0|2,0,0]=4 2226 B12R1.50 COC(=O)CC1CCCC(C)C1 Amb26369360 [0,1,0,1,0,0|1,0,0]=3 2227 B12R1.50 COC(=O)CC1CCCC(C)N1 Amb8392805 [0,1,0,1,0,0|2,0,0]=4 2228 B12R1.50 COC(=O)CC1CCCC(Cl)C1 Amb27816481 [0,1,0,1,0,0|2,0,0]=4 2229 B12R1.50 COC(=O)CC1CCCC(O)C1 Amb26489250 [0,1,0,1,0,0|2,0,0]=4 2230 B12R1.50 COC(=O)CC1CCCN(C)C1 Amb27750171 [0,1,0,1,0,0|2,0,0]=4 2231 B12R1.50 COC(=O)CC1CCNC(C)C1 Amb24432151 [0,1,0,1,0,0|2,0,0]=4 2232 B12R1.50 COC(=O)CC1CNCC(C)C1 Amb26899677 [0,1,0,1,0,0|0,0,0]=2 2233 B12R1.50 COC(=O)CC1CNCC(C)C1 Amb31307977 [0,1,0,1,0,0|0,0,0]=2 2234 B12R1.50 COC(=O)CC1COCC(C)N1 Amb33356226 [0,1,0,1,0,0|2,0,0]=4 2235 B12R1.50 COC(=O)CN1CCCC(C)C1 Amb7760752 [0,1,0,1,0,0|2,0,0]=4 2236 B12R1.50 COC(=O)C[C@@H]1CCC[C@H](C)N1 Amb28051920 [0,1,0,1,0,0|2,0,0]=4 2237 B12R1.50 COC(=O)C[C@H]1CCC[C@@H](N)C1 Amb27847546 [0,1,0,1,0,0|2,0,0]=4 2238 B12R1.50 COC(=O)C[C@H]1CCC[C@H](C)N1 Amb27239958 [0,1,0,1,0,0|2,0,0]=4 2239 B12R1.50 COC(=O)NC1CCCC(C)C1 Amb27392982 [0,1,0,1,0,0|2,0,0]=4 2240 B12R1.50 CON(C)CC1CNCC(C)C1 Amb28293088 [0,1,0,1,0,0|2,0,0]=4 2241 B12R1.57 CC(=O)N1CCC(C)CC1CN Amb27266166 [0,1,0,1,0,0|2,0,0]=4 2242 B12R1.57 CC(=O)N1CC[C@@H](C)C[C@H]1CN Amb35723444 [0,1,0,1,0,0|2,0,0]=4 2243 B12R1.57 CC(C)C1CCC(=O)CC1CCl Amb32865624 [0,1,0,1,0,0|2,0,0]=4 2244 B12R1.57 CC(C)C1CCC(=O)CC1CN Amb32867772 [0,1,0,1,0,0|1,0,0]=3 2245 B12R1.57 CCC1CC(=O)CCC1C(C)C Amb27256596 [0,1,0,1,0,0|2,0,0]=4 2246 B12R1.57 C[C@@H]1CCN(C(N)=O)[C@H](CN)C1 Amb35723492 [0,1,0,1,0,0|2,0,0]=4 2247 B12R1.438 CC(=O)CC1CCCC(CN)C1 Amb25786547 [0,1,0,1,0,0|2,0,0]=4 2248 B12R1.438 CCC1CC(CC(=O)O)CCN1 Amb18825411 [0,1,0,1,0,0|2,0,0]=4 2249 B12R1.438 CCC1CC(CC(=O)O)CCO1 Amb28076052 [0,1,0,1,0,0|2,0,0]=4 2250 B12R1.438 CCC1CCCC(CC(C)=O)C1 Amb28042751 [0,1,0,1,0,0|2,0,0]=4 2251 B12R1.438 CCC1CCCN(CC(=O)O)C1 Amb31217534 [0,1,0,1,0,0|2,0,0]=4 2252 B12R1.438 CCC1CCCN(CC(=O)O)C1 Amb9447861 [0,1,0,1,0,0|2,0,0]=4 2253 B12R1.438 CCC1CCNC(CC(=O)O)C1 Amb18825410 [0,1,0,1,0,0|2,0,0]=4 2254 B12R1.438 CCN1CCCC(CC(=O)O)C1 Amb18300084 [0,1,0,1,0,0|2,0,0]=4 2255 B12R1.438 COC1CCCC(CC(=O)O)C1 Amb18647668 [0,1,0,1,0,0|1,0,0]=3 2256 B12R1.438 CSC1CCCC(CC(=O)O)C1 Amb27226249 [0,1,0,1,0,0|1,0,0]=3 2257 B12R1.438 N#CC1CCCC(CC(=O)O)C1 Amb18827225 [0,1,0,1,0,0|1,0,1]=4 2258 B12R1.438 NCC1CCCC(CC(=O)O)O1 Amb18197930 [0,1,0,1,0,0|2,0,0]=4 2259 B12R1.438 NCC1CCCN(CC(=O)O)C1 Amb18294011 [0,1,0,1,0,0|2,0,0]=4 2260 B12R1.438 NCC1CCCN(CC(=O)O)C1 Amb32992631 [0,1,0,1,0,0|2,0,0]=4 2261 B12R1.438 O=C(O)CN1CCCC(CO)C1 Amb29847901 [0,1,0,1,0,0|2,0,0]=4 2262 B12R1.532 COC(=O)CC1CN(C)CC1N Amb27790102 [0,1,0,1,0,0|1,0,0]=3 2263 B12R1.607 CCC1CC(C(=O)O)C(CC)O1 Amb33295525 [0,1,0,1,0,0|2,0,0]=4 2264 B12R1.607 NC(=O)C1CC(CO)CC1CO Amb27252992 [0,1,0,1,0,0|2,0,0]=4 2265 B12R1.607 NC(=O)[C@@H]1C[C@H](CO)C[C@H]1CO Amb27633849 [0,1,0,1,0,0|2,0,0]=4 2266 B12R1.609 CN1C(=O)C[C@H](CN)[C@H]1C(=O)O Amb18825372 [0,1,0,1,0,0|1,0,1]=4 2267 B12R1.1276 CC(C)CC1NC(=O)C(C)C1N Amb28071004 [0,1,0,1,0,0|2,0,0]=4 2268 B12R1.1276 CC(C)C[C@@H]1NC(=O)[C@H](C)[C@@H]1N Amb27471999 [0,1,0,1,0,0|2,0,0]=4 2269 B12R1.1276 CC1C(N)C(CC(=O)O)CN1C Amb18825352 [0,1,0,1,0,0|1,0,0]=3 2270 B12R1.1276 CC1NC(CC(=O)O)C(O)C1O Amb27635770 [0,1,0,1,0,0|2,0,0]=4 2271 B12R1.1276 O=C(O)C[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O Amb27645394 [0,1,0,1,0,0|2,0,0]=4 2272 B12R1.1673 COC(=O)CC1CC(C)(C)CN1 Amb32834427 [0,1,0,1,0,0|2,0,0]=4 2273 B12R1.1673 COC(=O)CC1CC(C)(C)CN1 Amb33329499 [0,1,0,1,0,0|2,0,0]=4 2274 B12R1.1673 COC(=O)CC1COC(C)(C)O1 Amb27616939 [0,1,0,1,0,0|2,0,0]=4 2275 B12R1.1673 COC(=O)C[C@@H]1COC(C)(C)O1 Amb22735816 [0,1,0,1,0,0|2,0,0]=4 2276 B12R1.1673 COC(=O)C[C@H]1COC(C)(C)O1 Amb16226983 [0,1,0,1,0,0|2,0,0]=4 2277 B12R1.1690 COC(=O)CC(CN)CC1CC1 Amb33361890 [0,1,0,1,0,0|0,0,0]=2 2278 B12R1.1852 CC1CC(CN)CN1CC(=O)O Amb27771017 [0,1,0,1,0,0|2,0,0]=4 2279 B12R1.1905 CCC1CNC(=O)CC(CO)C1 Amb27784903 [0,1,0,1,0,0|2,0,0]=4 2280 B12R1.1926 CC(CO)C1OC(=O)NC1CO Amb27810896 [0,1,0,1,0,0|2,0,0]=4 2281 B12R1.1926 CCC(O)C1OC(=O)CC1CC Amb28048354 [0,1,0,1,0,0|2,0,0]=4 2282 B12R1.1926 CC[C@H](O)[C@H]1OC(=O)C[C@@H]1CC Amb28207346 [0,1,0,1,0,0|2,0,0]=4 2283 B12R1.1926 COC(=O)N1C[C@@H](C)C[C@H]1CO Amb27775841 [0,1,0,1,0,0|2,0,0]=4 2284 B12R1.1926 COC(=O)[C@@H]1C[C@H](O)C[C@@H]1CCl Amb28411691 [0,1,0,1,0,0|2,0,0]=4 2285 B12R1.2666 COC(=O)CC(CN)C1CC1C Amb33144218 [0,1,0,1,0,0|0,0,0]=2 2286 B12R1.3535 CC1(C)CC1(CN)CC(O)CF Amb33495176 [0,1,0,1,0,0|1,0,1]=4 2287 B12R1.3851 CC1CC(CN)(CC(=O)O)C1C Amb27859007 [0,1,0,1,0,0|0,0,0]=2 2288 B12R1.3851 C[C@@H]1C[C@](CN)(CC(=O)O)[C@@H]1C Amb27419937 [0,1,0,1,0,0|0,0,0]=2 2289 B12R1.3851 C[C@H]1C[C@@](CN)(CC(=O)O)[C@@H]1C Amb27419934 [0,1,0,1,0,0|0,0,0]=2 2290 B12R1.3851 C[C@H]1C[C@@](CN)(CC(=O)O)[C@H]1C Amb27419935 [0,1,0,1,0,0|0,0,0]=2 2291 B12R1.224 CC(C)CC1CNCC(=O)N1C Amb24497435 [0,1,0,1,0,0|2,0,0]=4 2292 B12R1.224 NC1CCCC(CC(=O)O)C1O Amb27605801 [0,1,0,1,0,0|2,0,0]=4 2293 B12R1.225 C=C(C)C(O)C1CNCC(C)C1 Amb35742051 [0,1,0,1,0,0|2,0,0]=4 2294 B12R1.225 CC(C(=O)O)C1CCCC(N)C1 Amb27431725 [0,1,0,1,0,0|2,0,0]=4 2295 B12R1.225 CC(C(=O)O)C1CCCC(O)C1 Amb28348975 [0,1,0,1,0,0|2,0,0]=4 2296 B12R1.225 CC(C(=O)O)C1CCC[C@@H](C)C1 Amb27477787 [0,1,0,1,0,0|1,0,0]=3 2297 B12R1.225 CC(C)C(N)C1CCNC(=O)C1 Amb27263239 [0,1,0,1,0,0|2,0,0]=4 2298 B12R1.225 CC1CC(C(F)C(=O)O)CCO1 Amb27477486 [0,1,0,1,0,0|2,0,0]=4 2299 B12R1.225 CC1CC(C(N)C(=O)O)CCO1 Amb29892389 [0,1,0,1,0,0|2,0,0]=4 2300 B12R1.225 CC1CCCC(C(C)C(=O)O)C1 Amb27475502 [0,1,0,1,0,0|1,0,0]=3 2301 B12R1.225 CC1CCCC(C(F)C(=O)O)C1 Amb26045759 [0,1,0,1,0,0|1,0,0]=3 2302 B12R1.225 CC1CCCC(C(N)C(=O)O)C1 Amb24271219 [0,1,0,1,0,0|1,0,0]=3 2303 B12R1.225 CC1CCCC(C(N)C(N)=O)C1 Amb27251844 [0,1,0,1,0,0|2,0,0]=4 2304 B12R1.225 CC1CCCC([C@@H](N)C(=O)O)C1 Amb26025667 [0,1,0,1,0,0|1,0,0]=3 2305 B12R1.225 CC1CCCC([C@H](N)C(=O)O)C1 Amb26959883 [0,1,0,1,0,0|1,0,0]=3 2306 B12R1.225 CC1CCCN(C(C)C(=O)O)C1 Amb5761994 [0,1,0,1,0,0|2,0,0]=4 2307 B12R1.225 CC1CCNC(C(O)C(=O)O)C1 Amb27219907 [0,1,0,1,0,0|2,0,0]=4 2308 B12R1.225 CN1CCCC(C(N)C(=O)O)C1 Amb18825355 [0,1,0,1,0,0|2,0,0]=4 2309 B12R1.225 C[C@@H](C(=O)O)[C@@H]1CCCC(O)C1 Amb27634905 [0,1,0,1,0,0|2,0,0]=4 2310 B12R1.225 C[C@@H](C(=O)O)[C@@H]1CCC[C@H](O)C1 Amb27858828 [0,1,0,1,0,0|2,0,0]=4 2311 B12R1.592 CCC1SC(C)(C)NC1C(=O)O Amb28290336 [0,1,0,1,0,0|2,0,0]=4 2312 B12R1.766 CC(C)C1OC(=O)N(C)C1CO Amb28070943 [0,1,0,1,0,0|2,0,0]=4 2313 B12R1.864 CC1CC(C(N)C(=O)O)C(C)O1 Amb30039893 [0,1,0,1,0,0|2,0,0]=4 2314 B12R1.1815 CC(=O)C1(C)CCC1CC(C)C Amb27870314 [0,1,0,1,0,0|2,0,0]=4 2315 B12R1.1832 CC(C)CC1(C(N)C(=O)O)CC1 Amb33203525 [0,1,0,1,0,0|1,0,0]=3 2316 B12R1.1832 CC(C)CC1(C(O)C(=O)O)CC1 Amb33203524 [0,1,0,1,0,0|1,0,0]=3 2317 B12R1.2203 C=C(C(=O)O)C1CCC(C)(C)C1 Amb33360165 [0,1,0,1,0,0|1,0,1]=4 2318 B12R1.2203 CC(C(=O)O)C1CC(C)(C)CO1 Amb33744669 [0,1,0,1,0,0|2,0,0]=4 2319 B12R1.2203 CC(C(=O)O)C1CCC(C)(C)C1 Amb25103995 [0,1,0,1,0,0|1,0,0]=3 2320 B12R1.2203 CC(C(=O)O)C1COC(C)(C)O1 Amb26336096 [0,1,0,1,0,0|2,0,0]=4 2321 B12R1.2203 CC1(C)CC(C(N)C(=O)O)CO1 Amb35660561 [0,1,0,1,0,0|1,0,0]=3 2322 B12R1.2203 CC1(C)CCC(C(=O)C(=O)O)C1 Amb33360789 [0,1,0,1,0,0|1,0,1]=4 2323 B12R1.2203 CC1(C)CCC(C(F)C(=O)O)C1 Amb28195843 [0,1,0,1,0,0|1,0,0]=3 2324 B12R1.2203 CC1(C)CCC(C(N)C(=O)O)C1 Amb29892366 [0,1,0,1,0,0|1,0,0]=3 2325 B12R1.2203 CC1(C)CCC(C(O)C(=O)O)C1 Amb24487543 [0,1,0,1,0,0|1,0,0]=3 2326 B12R1.2203 CC1(C)OCC(C(N)C(=O)O)O1 Amb33053383 [0,1,0,1,0,0|2,0,0]=4 2327 B12R1.2203 CC1(C)OCC(C(O)C(=O)O)O1 Amb28146814 [0,1,0,1,0,0|2,0,0]=4 2328 B12R1.2203 CC1(C)OC[C@@H]([C@@H](O)C(=O)O)O1 Amb25175694 [0,1,0,1,0,0|2,0,0]=4 2329 B12R1.2203 CC1(C)OC[C@H]([C@@H](O)C(=O)O)O1 Amb28411530 [0,1,0,1,0,0|2,0,0]=4 2330 B12R1.2203 C[C@@H](C(=O)O)C1CC(C)(C)CO1 Amb33738421 [0,1,0,1,0,0|2,0,0]=4 2331 B12R1.2203 C[C@H](C(=O)O)C1CC(C)(C)CO1 Amb33744940 [0,1,0,1,0,0|2,0,0]=4 2332 B12R1.2477 CC1(C)CC1(CN)C(O)C(=O)O Amb32694180 [0,1,0,1,0,0|0,0,0]=2 2333 B12R1.857 CC(C)CC1(C)CC(=O)OC1=O Amb8827400 [0,1,0,1,0,0|1,0,1]=4 2334 B12R1.857 CC1CC(N)(CC(=O)O)C(C)O1 Amb25982546 [0,1,0,1,0,0|2,0,0]=4 2335 B12R1.1257 CC(=O)CC1(O)CCCC(C)C1 Amb32943772 [0,1,0,1,0,0|2,0,0]=4 2336 B12R1.1257 CC1CC(N)(CC(=O)O)CCN1 Amb33255895 [0,1,0,1,0,0|2,0,0]=4 2337 B12R1.1257 CC1CC(N)(CC(=O)O)CCO1 Amb25284723 [0,1,0,1,0,0|2,0,0]=4 2338 B12R1.1257 CC1CCCC(N)(CC(=O)O)C1 Amb27980737 [0,1,0,1,0,0|1,0,0]=3 2339 B12R1.1257 CC1CCCC(N)(CC(N)=O)C1 Amb33255255 [0,1,0,1,0,0|2,0,0]=4 2340 B12R1.1257 CC1CCCC(O)(CC(=O)O)C1 Amb18961448 [0,1,0,1,0,0|1,0,0]=3 2341 B12R1.1257 CC1CNCC(N)(CC(=O)O)C1 Amb32787948 [0,1,0,1,0,0|0,0,0]=2 2342 B12R1.1257 CC1CNCC(N)(CC(N)=O)C1 Amb33254985 [0,1,0,1,0,0|1,0,0]=3 2343 B12R1.1257 CN1CCCC(F)(CC(=O)O)C1 Amb27623604 [0,1,0,1,0,0|2,0,0]=4 2344 B12R1.1257 CN1CCCC(N)(CC(=O)O)C1 Amb32674344 [0,1,0,1,0,0|2,0,0]=4 2345 B12R1.1257 CN1CCCC(O)(CC(=O)O)C1 Amb18197977 [0,1,0,1,0,0|2,0,0]=4 2346 B12R1.1257 CN1CCCC(O)(CC(=O)O)C1 Amb33532444 [0,1,0,1,0,0|2,0,0]=4 2347 B12R1.1257 NC1CCCC(N)(CC(=O)O)C1 Amb33255721 [0,1,0,1,0,0|2,0,0]=4 2348 B12R1.1831 CC(=O)CC1(O)CCC(C)(C)C1 Amb32943792 [0,1,0,1,0,0|2,0,0]=4 2349 B12R1.1831 CC1(C)CC(N)(CC(=O)O)CO1 Amb27439957 [0,1,0,1,0,0|1,0,0]=3 2350 B12R1.1831 CC1(C)CC(N)(CC(N)=O)CO1 Amb33253942 [0,1,0,1,0,0|2,0,0]=4 2351 B12R1.1831 CC1(C)CC(O)(CC(=O)O)CO1 Amb25228643 [0,1,0,1,0,0|1,0,0]=3 2352 B12R1.1831 CC1(C)CCC(C)(CC(=O)O)N1 Amb18647508 [0,1,0,1,0,0|2,0,0]=4 2353 B12R1.1831 CC1(C)CCC(N)(CC(N)=O)C1 Amb33308422 [0,1,0,1,0,0|2,0,0]=4 2354 B12R1.2779 CC1(C)CC(C)(CC(=O)O)C1=O Amb27409148 [0,1,0,1,0,0|1,0,1]=4 2355 B12R1.4126 CC1(C)CC(O)CC(C)(CN)C1 Amb4015466 [0,1,0,1,0,0|1,0,1]=4 2356 B12R1.4126 CC1(C)C[C@H](O)C[C@](C)(CN)C1 Amb27967872 [0,1,0,1,0,0|1,0,1]=4 2357 B12R1.4126 CC[C@]1(C)CC(=O)CC(C)(C)C1 Amb27599445 [0,1,0,1,0,0|2,0,0]=4 2358 B12R1.4679 CC1CC1C(O)(CN)CC(=O)O Amb33346956 [0,1,0,1,0,0|0,0,0]=2 2359 B12R1.4679 CCC(N)(CC(=O)O)C1CC1C Amb33255660 [0,1,0,1,0,0|1,0,0]=3 2360 B12R1.4679 CCC(N)(CC(N)=O)C1CC1C Amb33308508 [0,1,0,1,0,0|2,0,0]=4 2361 B12R1.67 CC(C)(C)[C@@H]1OC(=O)N[C@@H]1CO Amb27260262 [0,1,0,1,0,0|2,0,0]=4 2362 B12R1.86 NCC1C(C(=O)O)C1C(F)(F)F Amb26435979 [0,1,0,1,0,0|2,0,0]=4 2363 B12R1.119 CC1CNCC(CS(=O)(=O)F)C1 Amb33464011 [0,1,0,1,0,0|1,0,1]=4 2364 B12R1.242 CC1(C)CC(CN)CC(C)(C)O1 Amb27638213 [0,1,0,1,0,0|1,0,1]=4 2365 B12R1.242 CC1(C)CC(CN)CC(C)(C)O1 Amb33339154 [0,1,0,1,0,0|1,0,1]=4 2366 B12R1.862 CC(C)(C)CC1CC(=O)OC1=O Amb33225155 [0,1,0,1,0,0|1,0,1]=4 2367 B12R1.862 CC1NC(=O)CC1CC(C)(C)C Amb27172697 [0,1,0,1,0,0|2,0,0]=4 2368 B12R1.1378 CC(C)(C)NC1CCC1C(=O)O Amb28288775 [0,1,0,1,0,0|2,0,0]=4 2369 B12R1.1828 CC(C)(C)CC1(CC(=O)O)CC1 Amb18825574 [0,1,0,1,0,0|1,0,0]=3 2370 B12R1.2101 NCC(CC1CC1)CS(=O)(=O)F Amb33463945 [0,1,0,1,0,0|1,0,1]=4 2371 B12R1.2440 CC(C)(C)CC1(CN)CC(O)C1 Amb33362051 [0,1,0,1,0,0|1,0,1]=4 2372 B12R1.2494 CC1(C)CC1(CN)CS(C)(=O)=O Amb33055989 [0,1,0,1,0,0|1,0,1]=4 2373 B12R1.3796 NC1C(CC(=O)O)C1C(F)(F)F Amb25996346 [0,1,0,1,0,0|2,0,0]=4 2374 B12R2.544 O=S1(=O)CC2CNCC(C2)C1 Amb25313861 [0,0,0,2,0,0|1,0,1]=4 2375 B12R2.544 O=S1(=O)CC2CNCC(C2)C1 Amb33446992 [0,0,0,2,0,0|1,0,1]=4 2376 B12R2.998 CC1(C)CC2CNC1C(=O)O2 Amb27403387 [0,0,0,2,0,0|2,0,0]=4 2377 B12R2.1900 CCC1CC(=O)CC2(CC2)C1 Amb32988288 [0,0,0,2,0,0|2,0,0]=4 2378 B12R2.6426 CC1(C)CC(=O)CC2(CC2)C1 Amb24602980 [0,0,0,2,0,0|2,0,0]=4 2379 B12R2.202 CC1CC2CCCC(=O)C2C1 Amb28253670 [0,0,0,2,0,0|2,0,0]=4 2380 B12R2.202 C[C@H]1CNC[C@H]2NC(=O)O[C@H]12 Amb28057267 [0,0,0,2,0,0|1,0,0]=3 2381 B12R2.202 O=C1CC2CCCC(Br)C2O1 Amb28073080 [0,0,0,2,0,0|2,0,0]=4 2382 B12R2.202 O=C1CC2CCCC(O)C2O1 Amb27870881 [0,0,0,2,0,0|2,0,0]=4 2383 B12R2.202 O=C1C[C@@H]2CCC[C@@H](O)[C@H]2O1 Amb27184180 [0,0,0,2,0,0|2,0,0]=4 2384 B12R2.202 O=C1C[C@@H]2CCC[C@H](O)[C@H]2O1 Amb27623892 [0,0,0,2,0,0|2,0,0]=4 2385 B12R2.1129 CC(C)C1[C@H]2CC[C@@H]1C(=O)C2 Amb27844288 [0,0,0,2,0,0|2,0,0]=4 2386 B12R2.1129 NC1CC2CCC1C2C(=O)O Amb23454093 [0,0,0,2,0,0|2,0,0]=4 2387 B12R2.1129 O=C(O)C1[C@@H]2CC[C@@H]1C[C@H]2O Amb27781553 [0,0,0,2,0,0|2,0,0]=4 2388 B12R2.1129 O=C(O)C1[C@H]2CC[C@@H]1[C@@H](O)C2 Amb28291538 [0,0,0,2,0,0|2,0,0]=4 2389 B12R2.1129 O=C(O)[C@H]1[C@@H]2CN[C@H]1[C@H](O)C2 Amb35750412 [0,0,0,2,0,0|1,0,0]=3 2390 B12R2.1129 O=C(O)[C@H]1[C@@H]2CN[C@H]1[C@H](O)C2 Amb35752038 [0,0,0,2,0,0|1,0,0]=3 2391 B12R2.1145 C=C1CC2CC1C(C(=O)O)C2 Amb24694130 [0,0,0,2,0,0|1,0,1]=4 2392 B12R2.1145 CC(=O)N1CC2CC(N)C1C2 Amb33229157 [0,0,0,2,0,0|2,0,0]=4 2393 B12R2.1145 NC(=O)[C@@H]1C[C@@H]2C[C@H](S)[C@H]1C2 Amb27419862 [0,0,0,2,0,0|2,0,0]=4 2394 B12R2.1145 NC1CC2CC(C(=O)O)C1C2 Amb23589115 [0,0,0,2,0,0|0,0,0]=2 2395 B12R2.1145 O=C(O)C1CC2CC(=O)C1C2 Amb22372042 [0,0,0,2,0,0|1,0,1]=4 2396 B12R2.1145 O=C(O)C1CC2CC(O)C1C2 Amb3430035 [0,0,0,2,0,0|1,0,0]=3 2397 B12R2.1145 O=C(O)C1C[C@@H]2CC(=O)[C@H]1C2 Amb26479994 [0,0,0,2,0,0|1,0,1]=4 2398 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 Amb26982409 [0,0,0,2,0,0|1,0,1]=4 2399 B12R2.1145 O=C(O)[C@@H]1CC2CC1[C@H](O)C2 Amb2754919 [0,0,0,2,0,0|1,0,0]=3 2400 B12R2.1145 O=C(O)[C@@H]1C[C@@H]2C[C@@H](O)[C@H]1O2 Amb30526960 [0,0,0,2,0,0|2,0,0]=4 2401 B12R2.1145 O=C(O)[C@@H]1C[C@H]2C[C@@H](O)[C@@H]1O2 Amb30526905 [0,0,0,2,0,0|2,0,0]=4 2402 B12R2.1145 O=C(O)[C@H]1C[C@@H]2C[C@@H]1[C@H](S)C2 Amb27232753 [0,0,0,2,0,0|1,0,0]=3 2403 B12R2.1145 O=C(O)[C@H]1C[C@@H]2C[C@H](O)[C@H]1C2 Amb27775143 [0,0,0,2,0,0|1,0,0]=3 2404 B12R2.1391 CC(=O)N1C[C@@H]2CNC[C@H]1C2 Amb28246376 [0,0,0,2,0,0|2,0,0]=4 2405 B12R2.1391 O=C(O)C1CC2CCCC1N2 Amb28251192 [0,0,0,2,0,0|2,0,0]=4 2406 B12R2.1391 O=C(O)C1CC2CNCC1C2 Amb33802654 [0,0,0,2,0,0|0,0,0]=2 2407 B12R2.1391 O=C(O)C1CC2CNCC1C2 Amb33804032 [0,0,0,2,0,0|0,0,0]=2 2408 B12R2.1391 O=C(O)C1CN2CCCC1C2 Amb24381374 [0,0,0,2,0,0|2,0,0]=4 2409 B12R2.1391 O=C(O)[C@@H]1O[C@H]2CNC[C@@H]1O2 Amb26644150 [0,0,0,2,0,0|2,0,0]=4 2410 B12R2.1391 O=C(O)[C@H]1O[C@H]2CNC[C@@H]1O2 Amb27637606 [0,0,0,2,0,0|2,0,0]=4 2411 B12R2.2429 CC1(C)C(O)C2CC(=O)OC21 Amb28189146 [0,0,0,2,0,0|1,0,0]=3 2412 B12R2.4081 CC(=O)N1CC2CC1(CN)C2 Amb35673860 [0,0,0,2,0,0|2,0,0]=4 2413 B12R2.4081 NCC12CC(CN1C(N)=O)C2 Amb35655654 [0,0,0,2,0,0|2,0,0]=4 2414 B12R2.1085 CN1CCCC2C(C(=O)O)C21 Amb18200454 [0,0,0,2,0,0|2,0,0]=4 2415 B12R2.1085 NC1CCCC2C(C(=O)O)C12 Amb26930592 [0,0,0,2,0,0|2,0,0]=4 2416 B12R2.1085 NC1CCC[C@H]2[C@H](C(=O)O)[C@@H]12 Amb27403148 [0,0,0,2,0,0|2,0,0]=4 2417 B12R2.1085 O=C(O)C1C2CCCC(O)C21 Amb28411208 [0,0,0,2,0,0|2,0,0]=4 2418 B12R2.89 CC1CCC2C(C1)C2C(=O)O Amb28396668 [0,0,0,2,0,0|1,0,0]=3 2419 B12R2.89 CC1CCC2C(C1)C2C(N)=O Amb25123961 [0,0,0,2,0,0|2,0,0]=4 2420 B12R2.89 CN1CCC2C(C1)C2C(=O)O Amb18200455 [0,0,0,2,0,0|2,0,0]=4 2421 B12R2.589 CN1CC[C@@H]2C(CC(=O)O)[C@@H]21 Amb27229372 [0,0,0,2,0,0|2,0,0]=4 2422 B12R2.594 O=C1CC2CCCC(CN1)C2 Amb27224733 [0,0,0,2,0,0|2,0,0]=4 2423 B12R2.594 O=C1C[C@H]2CCC[C@@H](CN1)C2 Amb28052667 [0,0,0,2,0,0|2,0,0]=4 2424 B12R2.606 CC1CCC2CC(=O)CC2C1 Amb27227174 [0,0,0,2,0,0|2,0,0]=4 2425 B12R2.606 CC1CCC2NC(=O)CC2C1 Amb27847121 [0,0,0,2,0,0|2,0,0]=4 2426 B12R2.606 CC1CC[C@@H]2CC(=O)C[C@@H]2C1 Amb27211915 [0,0,0,2,0,0|2,0,0]=4 2427 B12R2.606 C[C@@H]1C[C@H]2CCC(=O)C[C@H]2C1 Amb27844299 [0,0,0,2,0,0|2,0,0]=4 2428 B12R2.606 O=C1C[C@H]2C[C@H](O)C[C@H]2CO1 Amb27472781 [0,0,0,2,0,0|2,0,0]=4 2429 B12R2.1655 CC(=O)CC1CCC2CC2C1 Amb35704914 [0,0,0,2,0,0|2,0,0]=4 2430 B12R2.1655 O=C(O)CC1CCC2CC2C1 Amb27239974 [0,0,0,2,0,0|1,0,0]=3 2431 B12R2.1655 O=C(O)CN1CCC2CC2C1 Amb30006736 [0,0,0,2,0,0|2,0,0]=4 2432 B12R2.1661 CC(=O)CC1CC2CCC1C2 Amb26854646 [0,0,0,2,0,0|2,0,0]=4 2433 B12R2.1661 CC(=O)CC1C[C@H]2CC[C@@H]1C2 Amb27844149 [0,0,0,2,0,0|2,0,0]=4 2434 B12R2.1661 CC(=O)NC1CC2CNC1C2 Amb33229168 [0,0,0,2,0,0|2,0,0]=4 2435 B12R2.1661 CC(=O)O[C@@H]1C[C@H]2CN[C@@H]1C2 Amb27461998 [0,0,0,2,0,0|2,0,0]=4 2436 B12R2.1661 NC(=O)CC1CC2CCC1C2 Amb8333628 [0,0,0,2,0,0|2,0,0]=4 2437 B12R2.1661 NC(=O)CC1C[C@@H]2CC[C@H]1C2 Amb24550040 [0,0,0,2,0,0|2,0,0]=4 2438 B12R2.1661 O=C(Cl)CC1CC2CCC1C2 Amb6743376 [0,0,0,2,0,0|2,0,0]=4 2439 B12R2.1661 O=C(O)CC1CC2C=CC1C2 Amb26360464 [0,0,0,2,0,0|1,0,1]=4 2440 B12R2.1661 O=C(O)CC1CC2CCC1C2 Amb9703154 [0,0,0,2,0,0|1,0,0]=3 2441 B12R2.1661 O=C(O)CC1CC2CCC1O2 Amb18200227 [0,0,0,2,0,0|2,0,0]=4 2442 B12R2.1661 O=C(O)CC1C[C@@H]2CC[C@H]1C2 Amb3940184 [0,0,0,2,0,0|1,0,0]=3 2443 B12R2.1661 O=C(O)CC1C[C@H]2C=C[C@@H]1C2 Amb24706706 [0,0,0,2,0,0|1,0,1]=4 2444 B12R2.1661 O=C(O)CC1C[C@H]2CC[C@@H]1C2 Amb27449302 [0,0,0,2,0,0|1,0,0]=3 2445 B12R2.1661 O=C(O)CN1CC2CCC1C2 Amb35752647 [0,0,0,2,0,0|2,0,0]=4 2446 B12R2.1661 O=C(O)CN1CC2CCC1C2 Amb3941222 [0,0,0,2,0,0|2,0,0]=4 2447 B12R2.1661 O=C(O)CN1C[C@@H]2CC[C@H]1C2 Amb10844645 [0,0,0,2,0,0|2,0,0]=4 2448 B12R2.1661 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 Amb10607426 [0,0,0,2,0,0|1,0,1]=4 2449 B12R2.1661 O=C(O)C[C@H]1C[C@H]2CC[C@@H]1C2 Amb27419930 [0,0,0,2,0,0|1,0,0]=3 2450 B12R2.1662 O=C(O)CN1CC2CC(C2)C1 Amb27965570 [0,0,0,2,0,0|2,0,0]=4 2451 B12R2.2899 CC1CC2=CC(=O)CC(C2)C1 Amb28126675 [0,0,0,2,0,0|2,0,0]=4 2452 B12R2.2899 CC1CC2CC(=O)CC(C1)C2 Amb3466997 [0,0,0,2,0,0|2,0,0]=4 2453 B12R2.5120 CC1CNCC2(CC(=O)N2)C1 Amb35709642 [0,0,0,2,0,0|1,0,0]=3 2454 B12R2.1061 CC1(C)CC2(CO1)CC(=O)C2 Amb32679263 [0,0,0,2,0,0|2,0,0]=4 2455 B12R2.1061 CC1(C)CCC2(CC(=O)N2)C1 Amb27865282 [0,0,0,2,0,0|2,0,0]=4 2456 B12R2.2643 CC1CC2(CC(=O)OC2=O)C1 Amb27945768 [0,0,0,2,0,0|1,0,1]=4 2457 B12R2.4654 CC1CC1C2(CN)CC(O)C2 Amb33143843 [0,0,0,2,0,0|1,0,1]=4 2458 B12R2.4654 CCC1(C2CC2C)CC(=O)N1 Amb28396835 [0,0,0,2,0,0|2,0,0]=4 2459 B12R2.4659 C=C1CC(CN)(CC2CC2)C1 Amb28240995 [0,0,0,2,0,0|2,0,0]=4 2460 B12R2.4659 NCC1(CC2CC2)CC(O)C1 Amb33361161 [0,0,0,2,0,0|1,0,1]=4 2461 B12R2.6555 CC12CC(CC(=O)O)(CO1)C2 Amb33803111 [0,0,0,2,0,0|1,0,0]=3 2462 B12R2.638 O=C1C[C@@H]2O[C@H](CO1)C[C@H]2O Amb27443211 [0,0,0,2,0,0|2,0,0]=4 2463 B12R2.764 CC1(C)C[C@H]2C(=O)OC(=O)[C@H]21 Amb35788653 [0,0,0,2,0,0|1,0,1]=4 2464 B12R2.2310 O=C1CC(CC2CC2)C(=O)O1 Amb33361168 [0,0,0,2,0,0|1,0,1]=4 2465 B12R2.2763 CC1CC1C2CC(=O)OC2=O Amb33143857 [0,0,0,2,0,0|1,0,1]=4 2466 B12R2.3863 C[C@@]12C[C@H](O)C[C@@H]1CC(=O)O2 Amb28079188 [0,0,0,2,0,0|2,0,0]=4 2467 B12R2.3612 O=C(O)CC1CC2(CC2)CO1 Amb35746888 [0,0,0,2,0,0|2,0,0]=4 2468 B12R2.3612 O=C(O)C[C@@H]1CC2(CC2)CN1 Amb33329068 [0,0,0,2,0,0|2,0,0]=4 2469 B12R2.3612 O=C(O)C[C@@H]1CC2(CC2)CN1 Amb33457788 [0,0,0,2,0,0|2,0,0]=4 2470 B12R2.413 CC1CC1C2(CC(=O)O)CC2 Amb33226426 [0,0,0,2,0,0|1,0,0]=3 2471 B12R2.3624 O=C(O)CC1(CC2CC2)CC1 Amb18830999 [0,0,0,2,0,0|1,0,0]=3 2472 B8R0.15 C=CCC(CBr)C(C)C Amb27421284 [1,0,0,0,1,0|2,0,0]=4 2473 B8R0.15 C=CCC(CCl)C(C)C Amb28208551 [1,0,0,0,1,0|2,0,0]=4 2474 B8R0.15 C=CC[C@@H](CO)C(C)C Amb28049111 [1,0,0,0,1,0|2,0,0]=4 2475 B8R0.15 C=CC[C@H](CO)C(C)C Amb28364730 [1,0,0,0,1,0|2,0,0]=4 2476 B8R0.15 C=C[C@@H](CCC)C(=O)O Amb27658640 [1,0,0,0,1,0|1,0,1]=4 2477 B8R0.15 CC(C)C(CN)CCN Amb27169609 [1,0,0,0,1,0|1,0,1]=4 2478 B8R0.15 CC(C)C(CN)CNN Amb28346247 [1,0,0,0,1,0|2,0,0]=4 2479 B8R0.15 CC(C)[C@@H](CO)CCO Amb27472565 [1,0,0,0,1,0|1,0,1]=4 2480 B8R0.15 CC(C)[C@@H](CO)NC=O Amb27799099 [1,0,0,0,1,0|2,0,0]=4 2481 B8R0.15 CCC(CCF)C(=O)O Amb26321627 [1,0,0,0,1,0|2,0,0]=4 2482 B8R0.15 CCC(CCN)C(=O)O Amb24699884 [1,0,0,0,1,0|2,0,0]=4 2483 B8R0.15 CCC(CCN)C(=O)O Amb32662662 [1,0,0,0,1,0|2,0,0]=4 2484 B8R0.15 CCC(CCO)C(=O)O Amb18642884 [1,0,0,0,1,0|2,0,0]=4 2485 B8R0.15 CCC(COC)C(=O)O Amb18124352 [1,0,0,0,1,0|2,0,0]=4 2486 B8R0.15 CCC(CSC)C(=O)O Amb33272061 [1,0,0,0,1,0|2,0,0]=4 2487 B8R0.15 CCCC(C=O)C(=O)O Amb27464964 [1,0,0,0,1,0|1,0,1]=4 2488 B8R0.15 CCCC(CBr)C(=O)Cl Amb27639323 [1,0,0,0,1,0|2,0,0]=4 2489 B8R0.15 CCCC(CC)C(=O)O Amb19009626 [1,0,0,0,1,0|1,0,0]=3 2490 B8R0.15 CCCC(CF)C(=O)O Amb27186472 [1,0,0,0,1,0|1,0,0]=3 2491 B8R0.15 CCCC(CN)C(=O)O Amb19373497 [1,0,0,0,1,0|0,0,0]=2 2492 B8R0.15 CCCC(CN)C(C)C Amb19023863 [1,0,0,0,1,0|1,0,1]=4 2493 B8R0.15 CCCC(CN)C(C)O Amb27253919 [1,0,0,0,1,0|1,0,1]=4 2494 B8R0.15 CCCC(CO)C(=O)O Amb25881510 [1,0,0,0,1,0|1,0,0]=3 2495 B8R0.15 CCCC(NC)C(=O)O Amb21961534 [1,0,0,0,1,0|2,0,0]=4 2496 B8R0.15 CCCC(NC)C(=O)O Amb22587444 [1,0,0,0,1,0|2,0,0]=4 2497 B8R0.15 CCCC(NC)C(=O)O Amb9496293 [1,0,0,0,1,0|2,0,0]=4 2498 B8R0.15 CCCC(NO)C(=O)O Amb22372057 [1,0,0,0,1,0|2,0,0]=4 2499 B8R0.15 CCCC(OC)C(=O)O Amb8455302 [1,0,0,0,1,0|2,0,0]=4 2500 B8R0.15 CCCC(SC)C(=O)O Amb28289849 [1,0,0,0,1,0|2,0,0]=4 2501 B8R0.15 CCC[C@@H](CO)C(=O)O Amb24571859 [1,0,0,0,1,0|1,0,0]=3 2502 B8R0.15 CCC[C@@H](NC)C(=O)O Amb25771939 [1,0,0,0,1,0|2,0,0]=4 2503 B8R0.15 CCC[C@@H](NC)C(=O)O Amb33801471 [1,0,0,0,1,0|2,0,0]=4 2504 B8R0.15 CCC[C@H](CN)C(=O)O Amb27460612 [1,0,0,0,1,0|0,0,0]=2 2505 B8R0.15 CCC[C@H](CO)C(=O)O Amb25063310 [1,0,0,0,1,0|1,0,0]=3 2506 B8R0.15 CCC[C@H](NC)C(=O)O Amb25062610 [1,0,0,0,1,0|2,0,0]=4 2507 B8R0.15 CCC[C@H](NC)C(=O)O Amb33456398 [1,0,0,0,1,0|2,0,0]=4 2508 B8R0.15 CCNC(CC)C(=O)O Amb33339265 [1,0,0,0,1,0|2,0,0]=4 2509 B8R0.15 CCNC(CC)C(=O)O Amb9620054 [1,0,0,0,1,0|2,0,0]=4 2510 B8R0.15 CCN[C@@H](CC)C(=O)O Amb26019582 [1,0,0,0,1,0|2,0,0]=4 2511 B8R0.15 CCN[C@H](CC)C(=O)O Amb33347493 [1,0,0,0,1,0|2,0,0]=4 2512 B8R0.15 CCOC(CC)C(=O)O Amb9675410 [1,0,0,0,1,0|2,0,0]=4 2513 B8R0.15 CCOC(CS)C(=O)O Amb19037339 [1,0,0,0,1,0|2,0,0]=4 2514 B8R0.15 CCSC(CC)C(=O)O Amb9675503 [1,0,0,0,1,0|2,0,0]=4 2515 B8R0.15 CC[C@H](CCN)C(=O)O Amb27754665 [1,0,0,0,1,0|2,0,0]=4 2516 B8R0.15 CC[C@H](CCO)C(C)C Amb27180641 [1,0,0,0,1,0|1,0,1]=4 2517 B8R0.15 CNCC(CO)C(=O)O Amb26352745 [1,0,0,0,1,0|2,0,0]=4 2518 B8R0.15 CNCC(CO)C(=O)O Amb32661056 [1,0,0,0,1,0|2,0,0]=4 2519 B8R0.15 COC(CC=O)C(C)C Amb27229894 [1,0,0,0,1,0|2,0,0]=4 2520 B8R0.15 COCC(CN)C(=O)O Amb27219429 [1,0,0,0,1,0|1,0,0]=3 2521 B8R0.15 COCC(CN)C(C)C Amb25888922 [1,0,0,0,1,0|2,0,0]=4 2522 B8R0.15 COCC(ON)C(=O)O Amb27251693 [1,0,0,0,1,0|2,0,0]=4 2523 B8R0.15 COCC(ON)C(=O)O Amb32670944 [1,0,0,0,1,0|2,0,0]=4 2524 B8R0.15 CSCC(CN)C(=O)O Amb33272062 [1,0,0,0,1,0|1,0,0]=3 2525 B8R0.15 CSCC(CN)C(C)C Amb27779687 [1,0,0,0,1,0|2,0,0]=4 2526 B8R0.15 NCC(CCF)C(=O)O Amb33196465 [1,0,0,0,1,0|1,0,0]=3 2527 B8R0.15 O=C(O)C(CO)CCF Amb27876842 [1,0,0,0,1,0|2,0,0]=4 2528 B8R0.15 O=C(O)C(CS)CCS Amb27477377 [1,0,0,0,1,0|2,0,0]=4 2529 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [1,0,0,0,1,0|0,0,2]=4 2530 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [1,0,0,0,1,0|0,0,2]=4 2531 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [1,0,0,0,1,0|0,0,2]=4 2532 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [1,0,0,0,1,0|0,0,2]=4 2533 B8R0.23 C=C(C)CC(N)C(C)C Amb27595590 [1,0,0,0,1,0|2,0,0]=4 2534 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [1,0,0,0,1,0|0,0,2]=4 2535 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [1,0,0,0,1,0|0,0,2]=4 2536 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [1,0,0,0,1,0|0,0,2]=4 2537 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [1,0,0,0,1,0|0,0,2]=4 2538 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [1,0,0,0,1,0|0,0,2]=4 2539 B8R0.23 C=C(CC(C)C)C(=O)O Amb33542856 [1,0,0,0,1,0|0,0,2]=4 2540 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [1,0,0,0,1,0|1,0,1]=4 2541 B8R0.23 CC(=O)C(C)CC(C)C Amb24640121 [1,0,0,0,1,0|1,0,0]=3 2542 B8R0.23 CC(=O)C(C)CN(C)C Amb4019104 [1,0,0,0,1,0|2,0,0]=4 2543 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [1,0,0,0,1,0|1,0,1]=4 2544 B8R0.23 CC(=O)C(O)CC(C)C Amb26845888 [1,0,0,0,1,0|2,0,0]=4 2545 B8R0.23 CC(=O)CC(Br)C(C)C Amb28436887 [1,0,0,0,1,0|2,0,0]=4 2546 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [1,0,0,0,1,0|1,0,1]=4 2547 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [1,0,0,0,1,0|1,0,1]=4 2548 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [1,0,0,0,1,0|1,0,1]=4 2549 B8R0.23 CC(=O)CC(N)C(C)C Amb27409984 [1,0,0,0,1,0|1,0,0]=3 2550 B8R0.23 CC(=O)CN(C)C(C)C Amb22587141 [1,0,0,0,1,0|2,0,0]=4 2551 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [1,0,0,0,1,0|1,0,1]=4 2552 B8R0.23 CC(=O)C[C@@H](O)C(C)C Amb25135567 [1,0,0,0,1,0|2,0,0]=4 2553 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [1,0,0,0,1,0|1,0,1]=4 2554 B8R0.23 CC(=O)C[C@H](C)C(C)C Amb28285288 [1,0,0,0,1,0|1,0,0]=3 2555 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [1,0,0,0,1,0|1,0,1]=4 2556 B8R0.23 CC(=O)[C@@H](C)CN(C)C Amb27162005 [1,0,0,0,1,0|2,0,0]=4 2557 B8R0.23 CC(=O)[C@@H](N)CC(C)C Amb28344512 [1,0,0,0,1,0|1,0,0]=3 2558 B8R0.23 CC(=O)[C@@H](O)CC(C)C Amb28202353 [1,0,0,0,1,0|2,0,0]=4 2559 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [1,0,0,0,1,0|1,0,1]=4 2560 B8R0.23 CC(=O)[C@H](N)CC(C)C Amb27490707 [1,0,0,0,1,0|1,0,0]=3 2561 B8R0.23 CC(Br)CC(C)C(=O)O Amb27760411 [1,0,0,0,1,0|1,0,0]=3 2562 B8R0.23 CC(C)=C(C)CC(=O)O Amb18642613 [1,0,0,0,1,0|0,0,2]=4 2563 B8R0.23 CC(C)C(C)CB(O)O Amb28138502 [1,0,0,0,1,0|1,0,1]=4 2564 B8R0.23 CC(C)C(C)CC(=O)O Amb10844380 [1,0,0,0,1,0|0,0,0]=2 2565 B8R0.23 CC(C)C(C)CC(N)=O Amb25146130 [1,0,0,0,1,0|1,0,0]=3 2566 B8R0.23 CC(C)C(C)NC(=O)Cl Amb35637133 [1,0,0,0,1,0|2,0,0]=4 2567 B8R0.23 CC(C)C(C)NC(N)=O Amb7761978 [1,0,0,0,1,0|2,0,0]=4 2568 B8R0.23 CC(C)C(C)OC(=O)Cl Amb27835399 [1,0,0,0,1,0|2,0,0]=4 2569 B8R0.23 CC(C)C(Cl)CC(=O)O Amb27974166 [1,0,0,0,1,0|1,0,0]=3 2570 B8R0.23 CC(C)C(N)CC(=O)O Amb2436060 [1,0,0,0,1,0|0,0,0]=2 2571 B8R0.23 CC(C)C(N)CC(=O)O Amb31307617 [1,0,0,0,1,0|0,0,0]=2 2572 B8R0.23 CC(C)C(N)CC(N)=O Amb18296021 [1,0,0,0,1,0|1,0,0]=3 2573 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [1,0,0,0,1,0|1,0,0]=3 2574 B8R0.23 CC(C)CC(=N)C(=O)O Amb27268516 [1,0,0,0,1,0|0,0,2]=4 2575 B8R0.23 CC(C)CC(=O)C(=O)O Amb8387123 [1,0,0,0,1,0|1,0,1]=4 2576 B8R0.23 CC(C)CC(Br)C(=O)Cl Amb26515942 [1,0,0,0,1,0|2,0,0]=4 2577 B8R0.23 CC(C)CC(Br)C(=O)O Amb16233356 [1,0,0,0,1,0|1,0,0]=3 2578 B8R0.23 CC(C)CC(C)C(=O)O Amb18975244 [1,0,0,0,1,0|0,0,0]=2 2579 B8R0.23 CC(C)CC(C)C(C)O Amb27620814 [1,0,0,0,1,0|1,0,1]=4 2580 B8R0.23 CC(C)CC(C)S(=O)Cl Amb32720376 [1,0,0,0,1,0|2,0,0]=4 2581 B8R0.23 CC(C)CC(C)S(=O)[O-] Amb24371233 [1,0,0,0,1,0|1,0,1]=4 2582 B8R0.23 CC(C)CC(C)S(N)=O Amb32720382 [1,0,0,0,1,0|2,0,0]=4 2583 B8R0.23 CC(C)CC(Cl)C(=O)Cl Amb27400431 [1,0,0,0,1,0|2,0,0]=4 2584 B8R0.23 CC(C)CC(Cl)C(=O)O Amb17593753 [1,0,0,0,1,0|1,0,0]=3 2585 B8R0.23 CC(C)CC(F)C(=O)O Amb24565634 [1,0,0,0,1,0|1,0,0]=3 2586 B8R0.23 CC(C)CC(N)C(=O)O Amb9703094 [1,0,0,0,1,0|0,0,0]=2 2587 B8R0.23 CC(C)CC(N)C(C)O Amb18642850 [1,0,0,0,1,0|1,0,1]=4 2588 B8R0.23 CC(C)CC(N)C(N)=O Amb6334827 [1,0,0,0,1,0|1,0,0]=3 2589 B8R0.23 CC(C)CC(N)C(N)=O Amb9729639 [1,0,0,0,1,0|1,0,0]=3 2590 B8R0.23 CC(C)CC(N)C(N)=S Amb28292675 [1,0,0,0,1,0|1,1,0]=4 2591 B8R0.23 CC(C)CC(N)C(O)O Amb27970496 [1,0,0,0,1,0|0,0,2]=4 2592 B8R0.23 CC(C)CC(N)P(O)O Amb27231724 [1,0,0,0,1,0|1,0,1]=4 2593 B8R0.23 CC(C)CC(N)[PH](=O)O Amb27831348 [1,0,0,0,1,0|1,0,0]=3 2594 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [1,0,0,0,1,0|1,0,0]=3 2595 B8R0.23 CC(C)CC(O)C(=O)[O-] Amb33872314 [1,0,0,0,1,0|1,0,1]=4 2596 B8R0.23 CC(C)CC(O)[PH](=O)O Amb27255267 [1,0,0,0,1,0|2,0,0]=4 2597 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [1,0,0,0,1,0|1,0,0]=3 2598 B8R0.23 CC(C)CN(C)C(=O)Cl Amb26589878 [1,0,0,0,1,0|2,0,0]=4 2599 B8R0.23 CC(C)CN(N)C(N)=O Amb27624191 [1,0,0,0,1,0|2,0,0]=4 2600 B8R0.23 CC(C)C[C@@H](C)C(=O)O Amb10844070 [1,0,0,0,1,0|0,0,0]=2 2601 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O Amb22800398 [1,0,0,0,1,0|1,0,0]=3 2602 B8R0.23 CC(C)C[C@@H](F)C(=O)O Amb24616998 [1,0,0,0,1,0|1,0,0]=3 2603 B8R0.23 CC(C)C[C@@H](N)B(O)O Amb27978098 [1,0,0,0,1,0|1,0,1]=4 2604 B8R0.23 CC(C)C[C@@H](N)C(=O)O Amb2720579 [1,0,0,0,1,0|0,0,0]=2 2605 B8R0.23 CC(C)C[C@@H](N)C(C)O Amb28201191 [1,0,0,0,1,0|1,0,1]=4 2606 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb16183944 [1,0,0,0,1,0|1,0,0]=3 2607 B8R0.23 CC(C)C[C@@H](N)C(N)=O Amb22745197 [1,0,0,0,1,0|1,0,0]=3 2608 B8R0.23 CC(C)C[C@@H](N)C(N)=S Amb27450783 [1,0,0,0,1,0|1,1,0]=4 2609 B8R0.23 CC(C)C[C@@H](N)[C@@H](C)O Amb27593782 [1,0,0,0,1,0|1,0,1]=4 2610 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [1,0,0,0,1,0|1,0,0]=3 2611 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [1,0,0,0,1,0|1,0,0]=3 2612 B8R0.23 CC(C)C[C@H](Br)C(=O)O Amb22226489 [1,0,0,0,1,0|1,0,0]=3 2613 B8R0.23 CC(C)C[C@H](Br)C(N)=O Amb28197754 [1,0,0,0,1,0|2,0,0]=4 2614 B8R0.23 CC(C)C[C@H](C)C(=O)O Amb10844071 [1,0,0,0,1,0|0,0,0]=2 2615 B8R0.23 CC(C)C[C@H](Cl)C(=O)Cl Amb27657532 [1,0,0,0,1,0|2,0,0]=4 2616 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Amb22388637 [1,0,0,0,1,0|1,0,0]=3 2617 B8R0.23 CC(C)C[C@H](F)C(=O)O Amb10841083 [1,0,0,0,1,0|1,0,0]=3 2618 B8R0.23 CC(C)C[C@H](N)B(O)O Amb24578467 [1,0,0,0,1,0|1,0,1]=4 2619 B8R0.23 CC(C)C[C@H](N)C(=O)O Amb3499446 [1,0,0,0,1,0|0,0,0]=2 2620 B8R0.23 CC(C)C[C@H](N)C(=O)S Amb27810129 [1,0,0,0,1,0|0,1,0]=3 2621 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb10670112 [1,0,0,0,1,0|1,0,0]=3 2622 B8R0.23 CC(C)C[C@H](N)C(N)=O Amb8515324 [1,0,0,0,1,0|1,0,0]=3 2623 B8R0.23 CC(C)C[C@H](N)C(N)=S Amb28285298 [1,0,0,0,1,0|1,1,0]=4 2624 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [1,0,0,0,1,0|1,0,0]=3 2625 B8R0.23 CC(C)N(C)CC(=O)O Amb10609863 [1,0,0,0,1,0|1,0,0]=3 2626 B8R0.23 CC(C)N(C)CC(=O)O Amb6639901 [1,0,0,0,1,0|1,0,0]=3 2627 B8R0.23 CC(C)NC(C)C(=O)O Amb10199874 [1,0,0,0,1,0|1,0,0]=3 2628 B8R0.23 CC(C)NC(C)C(=O)O Amb1110769 [1,0,0,0,1,0|1,0,0]=3 2629 B8R0.23 CC(C)N[C@H](C)C(=O)O Amb26409390 [1,0,0,0,1,0|1,0,0]=3 2630 B8R0.23 CC(C)OC(C)C(=O)O Amb10607866 [1,0,0,0,1,0|1,0,0]=3 2631 B8R0.23 CC(C)OC(C)C(=O)[O-] Amb6541556 [1,0,0,0,1,0|1,0,1]=4 2632 B8R0.23 CC(C)OC(C)C(=O)[O-] Amb9172207 [1,0,0,0,1,0|1,0,1]=4 2633 B8R0.23 CC(C)OC(F)C(=O)O Amb28045324 [1,0,0,0,1,0|2,0,0]=4 2634 B8R0.23 CC(C)SC(C)C(=O)O Amb6263656 [1,0,0,0,1,0|1,0,0]=3 2635 B8R0.23 CC(C)SC(C)C(N)=O Amb28071700 [1,0,0,0,1,0|2,0,0]=4 2636 B8R0.23 CC(C)S[C@H](C)C(=O)O Amb27771567 [1,0,0,0,1,0|1,0,0]=3 2637 B8R0.23 CC(C)[C@@H](C)CC(=O)O Amb27785773 [1,0,0,0,1,0|0,0,0]=2 2638 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb16184030 [1,0,0,0,1,0|0,0,0]=2 2639 B8R0.23 CC(C)[C@@H](N)CC(=O)O Amb22226647 [1,0,0,0,1,0|0,0,0]=2 2640 B8R0.23 CC(C)[C@@H](N)CC(N)=O Amb28340737 [1,0,0,0,1,0|1,0,0]=3 2641 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [1,0,0,0,1,0|1,0,0]=3 2642 B8R0.23 CC(C)[C@@H](O)CC(N)=O Amb27443470 [1,0,0,0,1,0|2,0,0]=4 2643 B8R0.23 CC(C)[C@H](C)CB(O)O Amb27169740 [1,0,0,0,1,0|1,0,1]=4 2644 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb16184024 [1,0,0,0,1,0|0,0,0]=2 2645 B8R0.23 CC(C)[C@H](N)CC(=O)O Amb20240790 [1,0,0,0,1,0|0,0,0]=2 2646 B8R0.23 CC(C)[C@H](N)CC(N)=O Amb24481857 [1,0,0,0,1,0|1,0,0]=3 2647 B8R0.23 CC(C)[C@H](N)C[C@H](C)O Amb27457995 [1,0,0,0,1,0|1,0,1]=4 2648 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [1,0,0,0,1,0|1,0,0]=3 2649 B8R0.23 CC(CC(=O)O)C(F)F Amb27441233 [1,0,0,0,1,0|2,0,0]=4 2650 B8R0.23 CC(CC(=O)O)C(N)N Amb27481204 [1,0,0,0,1,0|2,0,0]=4 2651 B8R0.23 CC(CC(=O)O)N(C)C Amb8428133 [1,0,0,0,1,0|1,0,0]=3 2652 B8R0.23 CC(CC(=O)O)N(C)C Amb9173357 [1,0,0,0,1,0|1,0,0]=3 2653 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [1,0,0,0,1,0|2,0,0]=4 2654 B8R0.23 CC(CC(F)F)C(=O)O Amb22896466 [1,0,0,0,1,0|2,0,0]=4 2655 B8R0.23 CC(CC(N)=O)N(C)C Amb17231867 [1,0,0,0,1,0|2,0,0]=4 2656 B8R0.23 CC(CN(C)C)C(=O)O Amb8428203 [1,0,0,0,1,0|1,0,0]=3 2657 B8R0.23 CC(CN(C)C)C(=O)O Amb9173365 [1,0,0,0,1,0|1,0,0]=3 2658 B8R0.23 CC(CN(C)C)C(N)=O Amb17231865 [1,0,0,0,1,0|2,0,0]=4 2659 B8R0.23 CC(CN(C)N)C(=O)O Amb28145156 [1,0,0,0,1,0|2,0,0]=4 2660 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [1,0,0,0,1,0|2,0,0]=4 2661 B8R0.23 CC(Cl)CC(N)C(=O)O Amb28325413 [1,0,0,0,1,0|1,0,0]=3 2662 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [1,0,0,0,1,0|2,0,0]=4 2663 B8R0.23 CC(N)CC(N)C(=O)O Amb28144636 [1,0,0,0,1,0|1,0,0]=3 2664 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [1,0,0,0,1,0|2,0,0]=4 2665 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [1,0,0,0,1,0|1,0,0]=3 2666 B8R0.23 CC(O)C(N)CC(N)=O Amb27246007 [1,0,0,0,1,0|2,0,0]=4 2667 B8R0.23 CC(O)CC(C)C(C)C Amb28059818 [1,0,0,0,1,0|1,0,1]=4 2668 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [1,0,0,0,1,0|1,0,0]=3 2669 B8R0.23 CC(O)CC(N)C(C)C Amb27956567 [1,0,0,0,1,0|1,0,1]=4 2670 B8R0.23 CC(O)CC(N)C(N)=O Amb33065888 [1,0,0,0,1,0|2,0,0]=4 2671 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [1,0,0,0,1,0|1,0,0]=3 2672 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [1,0,0,0,1,0|1,0,0]=3 2673 B8R0.23 CN(C)CC(N)C(=O)O Amb23558085 [1,0,0,0,1,0|1,0,0]=3 2674 B8R0.23 CN(C)CC(N)C(=O)O Amb32644516 [1,0,0,0,1,0|1,0,0]=3 2675 B8R0.23 CN(C)CC(N)C(=O)O Amb33756799 [1,0,0,0,1,0|1,0,0]=3 2676 B8R0.23 CN(C)CC(N)C(N)=O Amb18984335 [1,0,0,0,1,0|2,0,0]=4 2677 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [1,0,0,0,1,0|2,0,0]=4 2678 B8R0.23 CN(C)C[C@@H](N)C(=O)O Amb19889770 [1,0,0,0,1,0|1,0,0]=3 2679 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb24078627 [1,0,0,0,1,0|1,0,0]=3 2680 B8R0.23 CN(C)C[C@H](N)C(=O)O Amb8515079 [1,0,0,0,1,0|1,0,0]=3 2681 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [1,0,0,0,1,0|2,0,0]=4 2682 B8R0.23 CS(=N)C[C@H](N)C(=O)O Amb27838573 [1,0,0,0,1,0|2,0,0]=4 2683 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [1,0,0,0,1,0|2,0,0]=4 2684 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [1,0,0,0,1,0|2,0,0]=4 2685 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [1,0,0,0,1,0|2,0,0]=4 2686 B8R0.23 C[C@@H](CC(F)F)C(=O)O Amb33749533 [1,0,0,0,1,0|2,0,0]=4 2687 B8R0.23 C[C@@H](Cl)C[C@H](N)C(=O)O Amb27863035 [1,0,0,0,1,0|1,0,0]=3 2688 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [1,0,0,0,1,0|1,0,0]=3 2689 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [1,0,0,0,1,0|1,0,0]=3 2690 B8R0.23 C[C@H](CC(=O)O)C(Cl)Cl Amb28292581 [1,0,0,0,1,0|2,0,0]=4 2691 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [1,0,0,0,1,0|2,0,0]=4 2692 B8R0.23 C[C@H](CC(F)F)C(=O)O Amb33727762 [1,0,0,0,1,0|2,0,0]=4 2693 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [1,0,0,0,1,0|2,0,0]=4 2694 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [1,0,0,0,1,0|2,0,0]=4 2695 B8R0.23 C[C@H](N)C[C@H](N)C(=O)O Amb27815088 [1,0,0,0,1,0|1,0,0]=3 2696 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [1,0,0,0,1,0|2,0,0]=4 2697 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [1,0,0,0,1,0|2,0,0]=4 2698 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [1,0,0,0,1,0|1,0,0]=3 2699 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [1,0,0,0,1,0|2,0,0]=4 2700 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [1,0,0,0,1,0|2,0,0]=4 2701 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [1,0,0,0,1,0|2,0,0]=4 2702 B8R0.23 C\C(=C/C(=O)O)C(C)C Amb17506861 [1,0,0,0,1,0|0,0,2]=4 2703 B8R0.23 C\C(=C/C(C)C)C(=O)O Amb18642616 [1,0,0,0,1,0|0,0,2]=4 2704 B8R0.23 NC(CC(=O)O)C(Cl)Cl Amb27964120 [1,0,0,0,1,0|2,0,0]=4 2705 B8R0.23 NC(CC(=O)O)C(F)F Amb23570587 [1,0,0,0,1,0|2,0,0]=4 2706 B8R0.23 NC(CC(Cl)Cl)C(=O)O Amb27791749 [1,0,0,0,1,0|2,0,0]=4 2707 B8R0.23 NC(CC(F)F)C(=O)O Amb13952714 [1,0,0,0,1,0|2,0,0]=4 2708 B8R0.23 NC(CC(F)F)C(=O)O Amb33546007 [1,0,0,0,1,0|2,0,0]=4 2709 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb26944439 [1,0,0,0,1,0|2,0,0]=4 2710 B8R0.23 N[C@@H](CC(F)F)C(=O)O Amb33482837 [1,0,0,0,1,0|2,0,0]=4 2711 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb25117310 [1,0,0,0,1,0|2,0,0]=4 2712 B8R0.23 N[C@H](CC(F)F)C(=O)O Amb33743521 [1,0,0,0,1,0|2,0,0]=4 2713 B8R0.18 C=C(C)C(CN)C(=O)O Amb33199955 [0,0,0,0,2,0|0,0,2]=4 2714 B8R0.18 C=NC(C(=O)O)C(C)C Amb27409212 [0,0,0,0,2,0|2,0,0]=4 2715 B8R0.18 CC(C)=C(CN)C(=O)O Amb28368080 [0,0,0,0,2,0|0,0,2]=4 2716 B8R0.18 CC(C)C(C#N)C(=O)O Amb10066977 [0,0,0,0,2,0|0,0,2]=4 2717 B8R0.18 CC(C)C(CF)C(=O)O Amb26965957 [0,0,0,0,2,0|1,0,0]=3 2718 B8R0.18 CC(C)C(CN)C(=O)O Amb18987935 [0,0,0,0,2,0|0,0,0]=2 2719 B8R0.18 CC(C)C(CN)C(=O)O Amb19375052 [0,0,0,0,2,0|0,0,0]=2 2720 B8R0.18 CC(C)C(CN)C(C)O Amb27475944 [0,0,0,0,2,0|1,0,1]=4 2721 B8R0.18 CC(C)C(CO)C(=O)O Amb24116921 [0,0,0,0,2,0|1,0,0]=3 2722 B8R0.18 CC(C)C(CO)C(=O)[O-] Amb32655908 [0,0,0,0,2,0|1,0,1]=4 2723 B8R0.18 CC(C)C(CS)C(=O)O Amb17593703 [0,0,0,0,2,0|1,0,0]=3 2724 B8R0.18 CC(C)C(NN)C(=O)O Amb18642886 [0,0,0,0,2,0|1,0,0]=3 2725 B8R0.18 CC(C)C(NO)C(=O)O Amb28429830 [0,0,0,0,2,0|2,0,0]=4 2726 B8R0.18 CC(C)C(ON)C(=O)O Amb24477865 [0,0,0,0,2,0|1,0,0]=3 2727 B8R0.18 CC(C)C(ON)C(=O)O Amb32652494 [0,0,0,0,2,0|1,0,0]=3 2728 B8R0.18 CC(C)[C@@H](CN)C(=O)O Amb22756745 [0,0,0,0,2,0|0,0,0]=2 2729 B8R0.18 CC(C)[C@@H](CN)C(=O)O Amb22756747 [0,0,0,0,2,0|0,0,0]=2 2730 B8R0.18 CC(C)[C@@H](NN)C(=O)O Amb27468667 [0,0,0,0,2,0|1,0,0]=3 2731 B8R0.18 CC(C)[C@@H](ON)C(=O)O Amb24117143 [0,0,0,0,2,0|1,0,0]=3 2732 B8R0.18 CC(C)[C@H](CN)C(=O)O Amb25283442 [0,0,0,0,2,0|0,0,0]=2 2733 B8R0.18 CC(C)[C@H](CN)C(=O)O Amb32620230 [0,0,0,0,2,0|0,0,0]=2 2734 B8R0.18 CC(C)[C@H](CO)C(=O)O Amb27249807 [0,0,0,0,2,0|1,0,0]=3 2735 B8R0.18 CC(C)[C@H](NN)C(=O)O Amb27946435 [0,0,0,0,2,0|1,0,0]=3 2736 B8R0.18 CC(C)[C@H](NO)C(=O)O Amb27859675 [0,0,0,0,2,0|2,0,0]=4 2737 B8R0.18 CC(O)C(NN)C(=O)O Amb18642940 [0,0,0,0,2,0|2,0,0]=4 2738 B8R0.18 CCC(C(=O)O)C(C)C Amb18972345 [0,0,0,0,2,0|1,0,0]=3 2739 B8R0.18 CCC(C(=O)O)C(C)O Amb18990651 [0,0,0,0,2,0|2,0,0]=4 2740 B8R0.18 CCC(C(=O)O)N(C)C Amb33551144 [0,0,0,0,2,0|2,0,0]=4 2741 B8R0.18 CCC(C(=O)O)N(C)C Amb8455277 [0,0,0,0,2,0|2,0,0]=4 2742 B8R0.18 CCC(C(C)=O)C(C)C Amb3940735 [0,0,0,0,2,0|2,0,0]=4 2743 B8R0.18 CC[C@@H](C(=O)O)N(C)C Amb25823446 [0,0,0,0,2,0|2,0,0]=4 2744 B8R0.18 CC[C@@H](C(=O)O)[C@@H](C)O Amb28410568 [0,0,0,0,2,0|2,0,0]=4 2745 B8R0.18 CC[C@@H](C(C)=O)C(C)C Amb28195024 [0,0,0,0,2,0|2,0,0]=4 2746 B8R0.18 CC[C@H](C(=O)O)N(C)C Amb32668789 [0,0,0,0,2,0|2,0,0]=4 2747 B8R0.18 CC[C@H](C(=O)O)[C@H](C)O Amb27655638 [0,0,0,0,2,0|2,0,0]=4 2748 B8R0.18 CN(C)C(CN)C(=O)O Amb26350112 [0,0,0,0,2,0|1,0,0]=3 2749 B8R0.18 CN(C)C(CO)C(=O)O Amb24407402 [0,0,0,0,2,0|2,0,0]=4 2750 B8R0.18 CN(C)[C@@H](CO)C(=O)O Amb27397686 [0,0,0,0,2,0|2,0,0]=4 2751 B8R0.18 CNC(C(=O)O)C(C)C Amb21961623 [0,0,0,0,2,0|2,0,0]=4 2752 B8R0.18 CNC(C(=O)O)C(C)C Amb4035989 [0,0,0,0,2,0|2,0,0]=4 2753 B8R0.18 CN[C@@H](C(=O)O)C(C)C Amb22231334 [0,0,0,0,2,0|2,0,0]=4 2754 B8R0.18 CN[C@@H](C(=O)O)C(C)C Amb22749002 [0,0,0,0,2,0|2,0,0]=4 2755 B8R0.18 CN[C@H](C(=O)O)C(C)C Amb16183861 [0,0,0,0,2,0|2,0,0]=4 2756 B8R0.18 CN[C@H](C(=O)O)C(C)C Amb33812559 [0,0,0,0,2,0|2,0,0]=4 2757 B8R0.18 COC(C(=O)O)C(C)C Amb33532796 [0,0,0,0,2,0|2,0,0]=4 2758 B8R0.18 CO[C@H](C(=O)O)C(C)C Amb27966715 [0,0,0,0,2,0|2,0,0]=4 2759 B8R0.18 CSC(C(=O)O)C(C)C Amb17503902 [0,0,0,0,2,0|2,0,0]=4 2760 B8R0.18 NCC(C(=O)O)C(F)F Amb27438118 [0,0,0,0,2,0|2,0,0]=4 2761 B8R0.18 [C-]#[N+]C(C(=O)O)C(C)C Amb27945578 [0,0,0,0,2,0|2,0,0]=4 2762 B10R0.27 C=CCC(CBr)CCC(C)C Amb32689427 [1,0,0,0,0,1|2,0,0]=4 2763 B10R0.27 C=CCC(CBr)COC(C)C Amb32689435 [1,0,0,0,0,1|2,0,0]=4 2764 B10R0.27 C=CCC(CCl)CCC(C)C Amb32689471 [1,0,0,0,0,1|2,0,0]=4 2765 B10R0.27 C=CCC(CCl)COC(C)C Amb32689480 [1,0,0,0,0,1|2,0,0]=4 2766 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [1,0,0,0,0,1|1,0,1]=4 2767 B10R0.96 CC(=O)CCC(C)CC(=O)O Amb32668383 [1,0,0,0,0,1|1,0,1]=4 2768 B10R0.96 CC(=O)NCC(C)CC(C)Br Amb27671792 [1,0,0,0,0,1|2,0,0]=4 2769 B10R0.96 CC(=O)NCC(C)CC(C)Cl Amb27671820 [1,0,0,0,0,1|2,0,0]=4 2770 B10R0.96 CC(=O)NCC(C)CC(C)N Amb27671826 [1,0,0,0,0,1|2,0,0]=4 2771 B10R0.96 CC(=O)NCC(C)CC(C)O Amb28351961 [1,0,0,0,0,1|2,0,0]=4 2772 B10R0.96 CC(=O)NCC(C)CN(C)C Amb27671424 [1,0,0,0,0,1|2,0,0]=4 2773 B10R0.96 CC(=O)\C=C\C(C)CC(C)C Amb24750733 [1,0,0,0,0,1|1,0,1]=4 2774 B10R0.96 CC(C)=NO[C@@H](C)CC(=O)O Amb27986825 [1,0,0,0,0,1|1,0,1]=4 2775 B10R0.96 CC(C)=NO[C@H](C)CC(=O)O Amb27986824 [1,0,0,0,0,1|1,0,1]=4 2776 B10R0.96 CC(C)CC(=O)NCC(=O)O Amb1113772 [1,0,0,0,0,1|1,0,1]=4 2777 B10R0.96 CC(C)CC(C)NCC(C)O Amb9359519 [1,0,0,0,0,1|1,0,1]=4 2778 B10R0.96 CC(C)CC(N)C#CC(=O)O Amb26446508 [1,0,0,0,0,1|0,0,1]=3 2779 B10R0.96 CC(C)CC(N)CCC(=O)O Amb18177652 [1,0,0,0,0,1|0,0,0]=2 2780 B10R0.96 CC(C)CC(O)C#CC(=O)O Amb28240360 [1,0,0,0,0,1|1,0,1]=4 2781 B10R0.96 CC(C)CC(O)CCC(=O)O Amb18797782 [1,0,0,0,0,1|1,0,0]=3 2782 B10R0.96 CC(C)CC(O)CNC(N)=O Amb27988588 [1,0,0,0,0,1|2,0,0]=4 2783 B10R0.96 CC(C)CCC(C)CC(=O)O Amb6749235 [1,0,0,0,0,1|0,0,0]=2 2784 B10R0.96 CC(C)CCC(C)NC(N)=O Amb27492413 [1,0,0,0,0,1|2,0,0]=4 2785 B10R0.96 CC(C)CCC(N)CC(=O)O Amb18830323 [1,0,0,0,0,1|0,0,0]=2 2786 B10R0.96 CC(C)CCC(N)CC(N)=O Amb33253974 [1,0,0,0,0,1|1,0,0]=3 2787 B10R0.96 CC(C)CN(C)CCC(=O)O Amb8900038 [1,0,0,0,0,1|1,0,0]=3 2788 B10R0.96 CC(C)CNC(=O)CC(=O)O Amb17400041 [1,0,0,0,0,1|1,0,1]=4 2789 B10R0.96 CC(C)C[C@@H](O)C#CC(=O)O Amb27392352 [1,0,0,0,0,1|1,0,1]=4 2790 B10R0.96 CC(C)C[C@H](N)C#CC(=O)O Amb27875947 [1,0,0,0,0,1|0,0,1]=3 2791 B10R0.96 CC(C)OCC(N)CC(=O)O Amb33447444 [1,0,0,0,0,1|0,0,0]=2 2792 B10R0.96 CC(C)OCC(O)CC(=O)O Amb33448479 [1,0,0,0,0,1|1,0,0]=3 2793 B10R0.96 CC(C)OC[C@@H](O)CC(=O)O Amb33274503 [1,0,0,0,0,1|1,0,0]=3 2794 B10R0.96 CC(C)OC[C@H](O)CC(=O)O Amb33274501 [1,0,0,0,0,1|1,0,0]=3 2795 B10R0.96 CC(CC(=O)O)NCC(F)F Amb33069473 [1,0,0,0,0,1|2,0,0]=4 2796 B10R0.96 CC(CCN(C)C)CC(=O)O Amb33473550 [1,0,0,0,0,1|1,0,0]=3 2797 B10R0.96 CC(CN(C)C)OCC(=O)O Amb33339196 [1,0,0,0,0,1|1,0,0]=3 2798 B10R0.96 CC(CN(C)C)OCC(=O)O Amb33483323 [1,0,0,0,0,1|1,0,0]=3 2799 B10R0.96 CC(CNC(N)=O)CN(C)C Amb27671415 [1,0,0,0,0,1|2,0,0]=4 2800 B10R0.96 CC(COC(C)C)CC(=O)O Amb33079248 [1,0,0,0,0,1|0,0,0]=2 2801 B10R0.96 CC(N)CC(C)CNC(N)=O Amb27671837 [1,0,0,0,0,1|2,0,0]=4 2802 B10R0.96 CC(O)CC(C)CNC(N)=O Amb28351977 [1,0,0,0,0,1|2,0,0]=4 2803 B10R0.96 CN(C)CCC(N)CC(=O)O Amb33273734 [1,0,0,0,0,1|1,0,0]=3 2804 B10R0.96 CN(C)CCC(O)CC(=O)O Amb33272268 [1,0,0,0,0,1|2,0,0]=4 2805 B10R0.96 CN(C)CC[C@@H](O)CC(=O)O Amb33272267 [1,0,0,0,0,1|2,0,0]=4 2806 B10R0.96 CN(C)CC[C@H](O)CC(=O)O Amb33272266 [1,0,0,0,0,1|2,0,0]=4 2807 B10R0.96 C\C(=C/CC(C)C)CC(=O)O Amb27990212 [1,0,0,0,0,1|0,0,1]=3 2808 B10R0.84 C#CC(NCC(=O)O)C(C)C Amb27987681 [0,0,0,0,1,1|1,0,1]=4 2809 B10R0.84 CC(C)C(C#CC(=O)O)CN Amb33169053 [0,0,0,0,1,1|0,0,1]=3 2810 B10R0.84 CC(C)C(\C=C\C(=O)O)CN Amb27671726 [0,0,0,0,1,1|0,0,1]=3 2811 B10R0.84 CC(C)OCC(CN)C(=O)O Amb33274848 [0,0,0,0,1,1|0,0,0]=2 2812 B10R0.84 CCC(CCN(C)C)C(=O)O Amb33273732 [0,0,0,0,1,1|2,0,0]=4 2813 B10R0.84 CCC(CNC(C)=O)C(C)C Amb28352130 [0,0,0,0,1,1|2,0,0]=4 2814 B10R0.84 CCC(COC(C)C)C(=O)O Amb32953727 [0,0,0,0,1,1|1,0,0]=3 2815 B10R0.84 CCC(SCC(C)C)C(=O)O Amb9284743 [0,0,0,0,1,1|1,0,0]=3 2816 B10R0.84 CN(C)CCC(CN)C(=O)O Amb33272650 [0,0,0,0,1,1|1,0,0]=3 2817 B10R0.84 COC(CCC(C)C)C(=O)O Amb33359779 [0,0,0,0,1,1|2,0,0]=4