0 B11R0.180 CC(CC#CC(C)(C)O)CC=O Amb27177942 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.180 CC(CC#C[Si](C)(C)C)CC=O Amb27267139 [0,0,0,0,0,0|1,1,2]=4 2 B11R0.180 CC(CCO)CCCC(C)(C)O Amb534284 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.180 CCCC(C)CNCC(C)(C)O Amb33458535 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.180 C[C@@H](CC#C[Si](C)(C)C)CC=O Amb28243967 [0,0,0,0,0,0|1,1,2]=4 5 B10R0.3 CC(C)=CCCC(C)CC=O Amb4004570 [1,0,0,0,0,0|0,0,2]=3 6 B10R0.3 CC(C)=CCCC(C)NC=O Amb539281 [1,0,0,0,0,0|1,0,2]=4 7 B10R0.3 CC(C)CCCC(C)CC=O Amb9787359 [1,0,0,0,0,0|0,0,0]=1 8 B10R0.3 CC(C)CCCC(C)CCBr Amb22054555 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.3 CC(C)CCCC(C)CCN Amb30588682 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.3 CC(C)CCCC(C)CCO Amb3372066 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.3 CC(C)CCCC(O)CCN Amb32694201 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.3 CCCC(C)CCCC(C)N Amb32657560 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.3 COCC(C)NCCC(C)O Amb33455970 [1,0,0,0,0,0|3,0,0]=4 14 B10R0.22 CC(C)(C)C#CCCCC=O Amb27855983 [1,0,0,0,0,0|1,0,2]=4 15 B10R0.22 CC(C)(C)OCCCCC=O Amb33422465 [1,0,0,0,0,0|2,0,0]=3 16 B10R0.60 C#CC(C)NCCC(C)(C)O Amb27988089 [1,0,0,0,0,0|1,0,2]=4 17 B10R0.60 C=CC(=C)CCCC(C)(C)O Amb31030982 [1,0,0,0,0,0|0,0,3]=4 18 B10R0.60 C=CC(C)CCCC(C)(C)O Amb3940375 [1,0,0,0,0,0|0,0,1]=2 19 B10R0.60 C=CC(C)C\C=C\C(C)(C)O Amb22350403 [1,0,0,0,0,0|0,0,3]=4 20 B10R0.60 C=C\C(C)=C/CCC(C)(C)O Amb27987151 [1,0,0,0,0,0|0,0,3]=4 21 B10R0.60 CC(CBr)CCCC(C)(C)C Amb32688489 [1,0,0,0,0,0|2,0,0]=3 22 B10R0.60 CC(CBr)CCCC(C)(F)F Amb32691352 [1,0,0,0,0,0|3,0,0]=4 23 B10R0.60 CC(CBr)CCOC(C)(C)C Amb32688638 [1,0,0,0,0,0|3,0,0]=4 24 B10R0.60 CC(CBr)CCSC(C)(C)C Amb32688948 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.60 CC(CCl)CCCC(C)(C)C Amb32688488 [1,0,0,0,0,0|2,0,0]=3 26 B10R0.60 CC(CCl)CCCC(C)(F)F Amb32691351 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.60 CC(CCl)CCOC(C)(C)C Amb32688637 [1,0,0,0,0,0|3,0,0]=4 28 B10R0.60 CC(CCl)CCSC(C)(C)C Amb32688947 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.60 CC(CN)CCCC(C)(C)C Amb33746107 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.60 CC(CO)CCCC(C)(C)C Amb33748493 [1,0,0,0,0,0|1,0,1]=3 31 B10R0.60 CCC(C)CCCC(C)(C)O Amb533695 [1,0,0,0,0,0|0,0,1]=2 32 B10R0.60 CCC(C)CNCC(C)(C)O Amb18797723 [1,0,0,0,0,0|1,0,1]=3 33 B10R0.60 C[C@@H](CN)CCCC(C)(C)C Amb33728839 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.60 C[C@@H](CO)CCCC(C)(C)C Amb33736434 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.60 C[C@H](CN)CCCC(C)(C)C Amb33726993 [1,0,0,0,0,0|2,0,0]=3 36 B10R0.60 C[C@H](CO)CCCC(C)(C)C Amb33731292 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.60 C\C(=C/Cl)CNCC(C)(C)O Amb27987988 [1,0,0,0,0,0|2,0,1]=4 38 B12R0.66 CC(CC#CC(C)(C)C)CC(=O)O Amb28062032 [0,1,0,0,0,0|1,0,2]=4 39 B12R0.66 CC(CCCC(C)(C)O)CC(=O)O Amb24117509 [0,1,0,0,0,0|0,0,0]=1 40 B12R0.573 COC(C)(C)CCCC(C)CCN Amb22524546 [0,1,0,0,0,0|1,0,1]=3 41 B12R0.573 COC(C)(C)CCCC(C)CCN Amb29844649 [0,1,0,0,0,0|1,0,1]=3 42 B12R0.573 COC(C)(C)CCCC(C)CCO Amb1033049 [0,1,0,0,0,0|0,0,2]=3 43 B12R1.126 CC(C)(C)N1CCC(N)CC1=O Amb24449974 [0,0,0,1,0,0|3,0,0]=4 44 B12R1.126 CC1=CC(=O)C(C(C)(C)O)CC1 Amb26368839 [0,0,0,1,0,0|0,0,2]=3 45 B12R1.126 CC1=CC(=O)[C@H](C(C)(C)O)CC1 Amb27177690 [0,0,0,1,0,0|0,0,2]=3 46 B12R1.126 CC1CC=C(C(C)(C)C)C(=O)C1 Amb27177740 [0,0,0,1,0,0|1,0,2]=4 47 B12R1.126 CC1CCC(C(C)(C)C)C(=O)C1 Amb27175711 [0,0,0,1,0,0|1,0,0]=2 48 B12R1.126 CC1CCC(C(C)(C)C)C(Cl)C1 Amb27871569 [0,0,0,1,0,0|2,0,1]=4 49 B12R1.126 CC1CCC(C(C)(C)C)C(N)C1 Amb27175749 [0,0,0,1,0,0|2,0,1]=4 50 B12R1.126 CC1CCC(C(C)(C)C)C(O)C1 Amb4012765 [0,0,0,1,0,0|1,0,2]=4 51 B12R1.126 CC1CCC(C(C)(C)Cl)C(O)C1 Amb27456547 [0,0,0,1,0,0|1,0,2]=4 52 B12R1.126 CC1CCC(C(C)(C)N)C(=O)C1 Amb27876247 [0,0,0,1,0,0|1,0,0]=2 53 B12R1.126 CC1CCC(C(C)(C)O)C(=O)C1 Amb24662393 [0,0,0,1,0,0|0,0,0]=1 54 B12R1.126 CC1CCC(C(C)(C)O)C(O)C1 Amb22491102 [0,0,0,1,0,0|0,0,2]=3 55 B12R1.126 CC1CCC(C(C)(C)S)C(O)C1 Amb24397170 [0,0,0,1,0,0|0,1,2]=4 56 B12R1.126 CC1CC[C@@H](C(C)(C)O)[C@H](O)C1 Amb24578445 [0,0,0,1,0,0|0,0,2]=3 57 B12R1.126 C[C@@H]1CCC(C(C)(C)N)C(=O)C1 Amb27392367 [0,0,0,1,0,0|1,0,0]=2 58 B12R1.126 C[C@@H]1CCC(C(C)(C)S)C(O)C1 Amb27197475 [0,0,0,1,0,0|0,1,2]=4 59 B12R1.126 C[C@@H]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 Amb27207824 [0,0,0,1,0,0|1,0,2]=4 60 B12R1.126 C[C@@H]1CC[C@@H](C(C)(C)C)[C@H](O)C1 Amb27624569 [0,0,0,1,0,0|1,0,2]=4 61 B12R1.126 C[C@@H]1CC[C@@H](C(C)(C)N)[C@H](O)C1 Amb28076660 [0,0,0,1,0,0|1,0,2]=4 62 B12R1.126 C[C@@H]1CC[C@@H](C(C)(C)S)C(O)C1 Amb27456770 [0,0,0,1,0,0|0,1,2]=4 63 B12R1.126 C[C@@H]1CC[C@@H](C(C)(C)S)[C@H](O)C1 Amb27485884 [0,0,0,1,0,0|0,1,2]=4 64 B12R1.126 C[C@@H]1CC[C@H](C(C)(C)O)C(=O)C1 Amb28052307 [0,0,0,1,0,0|0,0,0]=1 65 B12R1.126 C[C@@H]1CC[C@H](C(C)(C)O)[C@H](O)C1 Amb28428536 [0,0,0,1,0,0|0,0,2]=3 66 B12R1.126 C[C@@H]1CC[C@H](C(C)(C)S)C(=O)C1 Amb24758182 [0,0,0,1,0,0|0,1,0]=2 67 B12R1.126 C[C@H]1CC=C(C(C)(C)O)C(=O)C1 Amb27175884 [0,0,0,1,0,0|0,0,2]=3 68 B12R1.126 C[C@H]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 Amb27218590 [0,0,0,1,0,0|1,0,2]=4 69 B12R1.126 C[C@H]1CC[C@@H](C(C)(C)F)[C@@H](O)C1 Amb27213893 [0,0,0,1,0,0|1,0,2]=4 70 B12R1.126 C[C@H]1CC[C@@H](C(C)(C)F)[C@H](O)C1 Amb27220277 [0,0,0,1,0,0|1,0,2]=4 71 B12R1.126 C[C@H]1CC[C@H](C(C)(C)O)C(O)C1 Amb27471040 [0,0,0,1,0,0|0,0,2]=3 72 B12R1.126 C[C@H]1CC[C@H](C(C)(C)O)[C@@H](O)C1 Amb24724845 [0,0,0,1,0,0|0,0,2]=3 73 B12R1.126 C[C@H]1CC[C@H](C(C)(C)O)[C@H](O)C1 Amb6358124 [0,0,0,1,0,0|0,0,2]=3 74 B12R1.126 C[C@H]1CC[C@H](C(C)(C)S)C(=O)C1 Amb25308539 [0,0,0,1,0,0|0,1,0]=2 75 B12R1.129 CC1CCCC1NCC(C)(C)O Amb24483491 [0,0,0,1,0,0|2,0,1]=4 76 B12R1.129 CC1COCC1NCC(C)(C)O Amb35590879 [0,0,0,1,0,0|3,0,0]=4 77 B12R1.129 CN1CCCC1CCC(C)(C)O Amb33223675 [0,0,0,1,0,0|2,0,1]=4 78 B12R1.180 CC(C)(C)N1CCC(CC=O)C1 Amb28052873 [0,0,0,1,0,0|2,0,0]=3 79 B12R1.180 CC(C)(C)N1CCC(NC=O)C1 Amb35692238 [0,0,0,1,0,0|3,0,0]=4 80 B12R1.697 CC1=C(C=O)[C@H](C(C)(C)O)CC1 Amb27852081 [0,0,0,1,0,0|0,0,2]=3 81 B12R1.697 CC1CCC(C(C)(C)O)C1C=O Amb28122383 [0,0,0,1,0,0|0,0,0]=1 82 B12R1.697 CC1CCC(C(C)(C)O)C1CO Amb27969059 [0,0,0,1,0,0|0,0,2]=3 83 B12R1.697 C[C@H]1CC[C@H](C(C)(C)O)[C@@H]1CO Amb28345450 [0,0,0,1,0,0|0,0,2]=3 84 B12R1.862 CC(C)(C)CN1CC(N)CC1=O Amb18951672 [0,0,0,1,0,0|3,0,0]=4 85 B12R1.862 CC(C)(O)CN1CC(O)CC1=O Amb27803301 [0,0,0,1,0,0|2,0,0]=3 86 B12R1.862 CC1CC(SC(C)(C)C)C(=O)O1 Amb27761204 [0,0,0,1,0,0|3,0,0]=4 87 B12R1.890 CC(C)(N)CCCC1CCCC1 Amb33481446 [0,0,0,1,0,0|2,0,1]=4 88 B12R1.890 CC(C)(O)CCCC1CCCC1 Amb33481436 [0,0,0,1,0,0|1,0,1]=3 89 B12R1.890 CC(C)(O)CCCN1CCCC1 Amb33447468 [0,0,0,1,0,0|2,0,1]=4 90 B12R1.1142 C=CCN1CCCC(C)(C)CC1 Amb28345085 [0,0,0,1,0,0|3,0,0]=4 91 B12R1.1142 CC1(C)CCCC(CCN)CC1 Amb28075739 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.1142 CC1(C)CCCC(N=C=O)CC1 Amb35659260 [0,0,0,1,0,0|2,0,1]=4 93 B12R1.1142 CC1(C)CCCC(NC=O)CC1 Amb35602709 [0,0,0,1,0,0|2,0,0]=3 94 B12R1.1142 CC1(O)CCCN(CC#N)CC1 Amb28280167 [0,0,0,1,0,0|2,0,1]=4 95 B12R1.1142 CC1(O)CCCN(CCBr)CC1 Amb27840742 [0,0,0,1,0,0|2,0,1]=4 96 B12R1.1142 CC1(O)CCCN(CCCl)CC1 Amb27587687 [0,0,0,1,0,0|2,0,1]=4 97 B12R1.1142 CC1(O)CCCN(CCN)CC1 Amb27757967 [0,0,0,1,0,0|2,0,1]=4 98 B12R1.1142 CC1(O)CCCN(CCS)CC1 Amb28366627 [0,0,0,1,0,0|1,1,1]=4 99 B12R1.1142 CCCC1CCCC(C)(N)CC1 Amb28120433 [0,0,0,1,0,0|2,0,1]=4 100 B12R1.1142 CCCC1CCCC(C)(O)CC1 Amb27847404 [0,0,0,1,0,0|1,0,1]=3 101 B12R1.1580 C=CCC(O)[C@@H]1COC(C)(C)O1 Amb27980444 [0,0,0,1,0,0|3,0,0]=4 102 B12R1.1580 C=CCC(O)[C@H]1COC(C)(C)O1 Amb25060590 [0,0,0,1,0,0|3,0,0]=4 103 B12R1.1580 C=CC[C@@H](O)[C@@H]1COC(C)(C)O1 Amb27650163 [0,0,0,1,0,0|3,0,0]=4 104 B12R1.1580 C=CC[C@H](O)[C@@H]1COC(C)(C)O1 Amb28061931 [0,0,0,1,0,0|3,0,0]=4 105 B12R1.1580 CC(CC=O)C1COC(C)(C)O1 Amb28324308 [0,0,0,1,0,0|1,0,0]=2 106 B12R1.1580 CC(CCN)C1CCC(C)(C)C1 Amb33360796 [0,0,0,1,0,0|2,0,1]=4 107 B12R1.1580 CC(CCN)C1COC(C)(C)O1 Amb33053367 [0,0,0,1,0,0|2,0,1]=4 108 B12R1.1580 CC(CON)C1CCC(C)(C)C1 Amb33360439 [0,0,0,1,0,0|3,0,0]=4 109 B12R1.1580 CC(CON)C1COC(C)(C)O1 Amb33053579 [0,0,0,1,0,0|3,0,0]=4 110 B12R1.1580 CC(N=C=O)C1CCC(C)(C)C1 Amb33360726 [0,0,0,1,0,0|2,0,1]=4 111 B12R1.1580 CC(N=C=O)C1COC(C)(C)O1 Amb33053409 [0,0,0,1,0,0|2,0,1]=4 112 B12R1.1580 CCCC(C)N1CCC(C)(O)C1 Amb27631179 [0,0,0,1,0,0|2,0,1]=4 113 B12R1.1580 COCC(C)N1CCC(C)(O)C1 Amb27588895 [0,0,0,1,0,0|3,0,0]=4 114 B12R1.1580 C[C@@H](CC=O)[C@@H]1COC(C)(C)O1 Amb27268587 [0,0,0,1,0,0|1,0,0]=2 115 B12R1.1580 C[C@H](CC=O)[C@@H]1COC(C)(C)O1 Amb28057512 [0,0,0,1,0,0|1,0,0]=2 116 B12R1.1580 C[C@H](CC=O)[C@H]1COC(C)(C)O1 Amb27841137 [0,0,0,1,0,0|1,0,0]=2 117 B12R1.1580 C[C@H](CCO)[C@@H]1COC(C)(C)O1 Amb27849816 [0,0,0,1,0,0|1,0,2]=4 118 B12R1.1851 C=CC1CC(C)(O)CCCC1O Amb27452060 [0,0,0,1,0,0|2,0,0]=3 119 B12R1.2609 CC(C)(O)C1CCC1(C)CCO Amb27857536 [0,0,0,1,0,0|0,0,2]=3 120 B12R1.2609 CC(C)(O)[C@@H]1CC[C@]1(C)CCO Amb27230512 [0,0,0,1,0,0|0,0,2]=3 121 B12R1.2609 CC(C)(O)[C@H]1CC[C@@]1(C)CCO Amb27662119 [0,0,0,1,0,0|0,0,2]=3 122 B12R1.2625 C=CCC1(O)CCCC(C)(C)C1 Amb27458372 [0,0,0,1,0,0|3,0,0]=4 123 B12R1.2625 CC1(C)CC(O)(CC=O)CCO1 Amb28248486 [0,0,0,1,0,0|3,0,0]=4 124 B12R1.2625 CC1(C)CCCC(C)(CCN)C1 Amb28368392 [0,0,0,1,0,0|2,0,1]=4 125 B12R1.2625 CC1(C)CCCC(O)(CC=O)C1 Amb28143527 [0,0,0,1,0,0|2,0,0]=3 126 B12R1.2625 COCC1(C)CNCC(C)(C)O1 Amb28184508 [0,0,0,1,0,0|3,0,0]=4 127 B12R1.3183 CC(CCCC(C)(C)N)C1CC1 Amb33167098 [0,0,0,1,0,0|2,0,1]=4 128 B10R0.109 C#CCC(C)NCC(C)(C)O Amb27492322 [0,0,0,0,1,0|2,0,1]=4 129 B10R0.109 CC(CCC(C)(C)C)N=C=O Amb27674115 [0,0,0,0,1,0|2,0,1]=4 130 B10R0.109 CC(CCC(C)(C)C)NC=O Amb27674111 [0,0,0,0,1,0|2,0,0]=3 131 B10R0.109 CCCC(C)CCC(C)(C)N Amb33321147 [0,0,0,0,1,0|2,0,1]=4 132 B10R0.109 CCCC(C)NCC(C)(C)O Amb18179931 [0,0,0,0,1,0|2,0,1]=4 133 B10R0.109 CN(CC#N)CCC(C)(C)O Amb27987741 [0,0,0,0,1,0|2,0,1]=4 134 B10R0.109 COCC(C)NCC(C)(C)O Amb18180025 [0,0,0,0,1,0|3,0,0]=4 135 B9R0.1 C=C(C)CCC[C@H](C)C=O Amb27230540 [2,0,0,0,0,0|0,0,2]=4 136 B9R0.1 C=CC(C)CCCC(C)C Amb22229110 [2,0,0,0,0,0|0,0,1]=3 137 B9R0.1 C=CC(C)CCCC(C)O Amb27164172 [2,0,0,0,0,0|0,0,1]=3 138 B9R0.1 C=CC(C)CNCC(C)C Amb27843194 [2,0,0,0,0,0|1,0,1]=4 139 B9R0.1 C=CC(C)NCCC(C)C Amb27650914 [2,0,0,0,0,0|1,0,1]=4 140 B9R0.1 C=CC(O)CCCC(C)C Amb27785702 [2,0,0,0,0,0|1,0,1]=4 141 B9R0.1 CC(C)=CCCC(C)C=O Amb3940426 [2,0,0,0,0,0|0,0,2]=4 142 B9R0.1 CC(C)=CCC[C@H](C)C=O Amb27876463 [2,0,0,0,0,0|0,0,2]=4 143 B9R0.1 CC(C)CCCC(C)CBr Amb27485270 [2,0,0,0,0,0|1,0,0]=3 144 B9R0.1 CC(C)CCCC(C)CCl Amb25056436 [2,0,0,0,0,0|1,0,0]=3 145 B9R0.1 CC(C)CCCC(C)CN Amb18644042 [2,0,0,0,0,0|1,0,0]=3 146 B9R0.1 CC(C)CCCC(C)CO Amb24082368 [2,0,0,0,0,0|0,0,1]=3 147 B9R0.1 CC(C)CCCC(C)NN Amb27799223 [2,0,0,0,0,0|2,0,0]=4 148 B9R0.1 CC(C)CCCC(F)CN Amb27489384 [2,0,0,0,0,0|2,0,0]=4 149 B9R0.1 CC(C)CCCC(N)CO Amb27233021 [2,0,0,0,0,0|1,0,1]=4 150 B9R0.1 CC(C)CCC[C@@H](C)CBr Amb28424339 [2,0,0,0,0,0|1,0,0]=3 151 B9R0.1 CC(C)CCC[C@@H](C)CCl Amb28054799 [2,0,0,0,0,0|1,0,0]=3 152 B9R0.1 CC(C)CCC[C@@H](C)CN Amb25147597 [2,0,0,0,0,0|1,0,0]=3 153 B9R0.1 CC(C)CCC[C@@H](C)CO Amb26336716 [2,0,0,0,0,0|0,0,1]=3 154 B9R0.1 CC(C)CCC[C@H](C)CN Amb28132685 [2,0,0,0,0,0|1,0,0]=3 155 B9R0.1 CC(C)CCC[C@H](C)CO Amb33730882 [2,0,0,0,0,0|0,0,1]=3 156 B9R0.1 CC(C)CCN[C@H](C)CN Amb27656290 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.1 CC(C)CCOC(C)CO Amb28050709 [2,0,0,0,0,0|1,0,1]=4 158 B9R0.1 CC(C)CNCC(C)CO Amb28323127 [2,0,0,0,0,0|1,0,1]=4 159 B9R0.1 CC(C)COCC(C)CBr Amb25253385 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.1 CC(C)COCC(C)CCl Amb25772268 [2,0,0,0,0,0|2,0,0]=4 161 B9R0.1 CC(C)COCC(C)CS Amb27652624 [2,0,0,0,0,0|1,1,0]=4 162 B9R0.1 CC(C)CSCC(C)CS Amb27837878 [2,0,0,0,0,0|1,1,0]=4 163 B9R0.1 CC(C)C\C=C\[C@@H](C)C=O Amb27458412 [2,0,0,0,0,0|0,0,2]=4 164 B9R0.1 CC(C)OCCN(C)C=O Amb28315774 [2,0,0,0,0,0|2,0,0]=4 165 B9R0.1 CC(C=O)CCCC(=O)O Amb27173621 [2,0,0,0,0,0|1,0,1]=4 166 B9R0.1 CC(C=O)CCCS(C)=O Amb28142475 [2,0,0,0,0,0|1,0,1]=4 167 B9R0.1 CC(C=O)CCOC(C)C Amb27833048 [2,0,0,0,0,0|1,0,0]=3 168 B9R0.1 CC(CBr)CCNC(C)C Amb28290543 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.1 CC(CBr)CCOC(C)C Amb26369644 [2,0,0,0,0,0|2,0,0]=4 170 B9R0.1 CC(CBr)CCSC(C)C Amb24523101 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.1 CC(CCl)CCOC(C)C Amb26001443 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.1 CC(CCl)CCSC(C)C Amb26381586 [2,0,0,0,0,0|2,0,0]=4 173 B9R0.1 CC(CN)CNC[C@H](C)O Amb28054468 [2,0,0,0,0,0|2,0,0]=4 174 B9R0.1 CC(CO)CCOC(C)C Amb28434553 [2,0,0,0,0,0|1,0,1]=4 175 B9R0.1 CC(N)CCCC(C)CN Amb28424147 [2,0,0,0,0,0|2,0,0]=4 176 B9R0.1 CC(N)CCCC(C)CO Amb27226928 [2,0,0,0,0,0|1,0,1]=4 177 B9R0.1 CC(O)CSCC(C)CO Amb27425054 [2,0,0,0,0,0|1,0,1]=4 178 B9R0.1 CCC(C)CCCC(C)Br Amb28313037 [2,0,0,0,0,0|1,0,1]=4 179 B9R0.1 CCC(C)CCCC(C)C Amb4036389 [2,0,0,0,0,0|0,0,1]=3 180 B9R0.1 CCC(C)CCCC(C)N Amb26516233 [2,0,0,0,0,0|1,0,1]=4 181 B9R0.1 CCC(C)CCC[C@@H](C)N Amb33731287 [2,0,0,0,0,0|1,0,1]=4 182 B9R0.1 CCC(C)CCC[C@H](C)N Amb33729331 [2,0,0,0,0,0|1,0,1]=4 183 B9R0.1 CCC(C)CNCC(C)C Amb6719710 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.1 CNC(C)CCCC(C)C Amb25683551 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.1 COC(C)CCCC(C)O Amb27833630 [2,0,0,0,0,0|1,0,1]=4 186 B9R0.1 C\C(C=O)=C/CCC(C)O Amb27598642 [2,0,0,0,0,0|0,0,2]=4 187 B9R0.1 C\C(C=O)=C\CCC(C)O Amb27841297 [2,0,0,0,0,0|0,0,2]=4 188 B9R0.1 C\C=C(\C)CCCC(C)O Amb28050786 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.1 [C-]#[N+]C(C)CCCC(C)C Amb19944628 [2,0,0,0,0,0|1,0,1]=4 190 B9R0.2 C=CCCCCCC(C)C Amb27205011 [2,0,0,0,0,0|1,0,0]=3 191 B9R0.2 C=CCCCCCN(C)C Amb27462877 [2,0,0,0,0,0|2,0,0]=4 192 B9R0.2 C=CCCCCC[C@@H](C)O Amb28318202 [2,0,0,0,0,0|1,0,0]=3 193 B9R0.2 C=CCCCCNC(C)C Amb26067882 [2,0,0,0,0,0|2,0,0]=4 194 B9R0.2 C=CCCCNC[C@@H](C)O Amb28065922 [2,0,0,0,0,0|2,0,0]=4 195 B9R0.2 C=CCCCNC[C@H](C)O Amb28456202 [2,0,0,0,0,0|2,0,0]=4 196 B9R0.2 C=CCCNCCC(C)C Amb27458308 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.2 C=CCNCCCC(C)O Amb27391681 [2,0,0,0,0,0|2,0,0]=4 198 B9R0.2 C=CCSCCCC(C)C Amb28188032 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.2 C=CCSCCCC(C)O Amb27615003 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.2 CC(C)=CCCCCC=O Amb18643636 [2,0,0,0,0,0|0,0,2]=4 201 B9R0.2 CC(C)CCCCCC#N Amb18643473 [2,0,0,0,0,0|1,0,1]=4 202 B9R0.2 CC(C)CCCCCC=O Amb22233123 [2,0,0,0,0,0|0,0,0]=2 203 B9R0.2 CC(C)CCCCCCBr Amb20240805 [2,0,0,0,0,0|1,0,1]=4 204 B9R0.2 CC(C)CCCCCCN Amb6608741 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.2 CC(C)CCCCN=C=O Amb28135068 [2,0,0,0,0,0|1,0,1]=4 206 B9R0.2 CC(C)CCSCCC=O Amb27589044 [2,0,0,0,0,0|1,0,0]=3 207 B9R0.2 CC(C)CSCCNC=O Amb27447537 [2,0,0,0,0,0|2,0,0]=4 208 B9R0.2 CC(C)OCCCCC=O Amb33172005 [2,0,0,0,0,0|1,0,0]=3 209 B9R0.2 CC(C)OCCCNC=O Amb28129481 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.2 CC(C)SCCCCC=O Amb28065431 [2,0,0,0,0,0|1,0,0]=3 211 B9R0.2 CC(O)CCCCCCO Amb27272851 [2,0,0,0,0,0|0,0,2]=4 212 B9R0.2 CCCCCCCC(C)C Amb6366303 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.2 CCCCCCC[C@@H](C)O Amb22362646 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.2 CCCCCCC[C@H](C)O Amb22362633 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.2 CN(C)CCCCCC=O Amb25743404 [2,0,0,0,0,0|1,0,0]=3 216 B9R0.2 CN(C)CCSCCC=O Amb27837824 [2,0,0,0,0,0|2,0,0]=4 217 B9R0.2 C[C@@H](O)CCCCCCO Amb27406493 [2,0,0,0,0,0|0,0,2]=4 218 B9R0.2 C[C@H](O)CCC\C=C\C=O Amb27261384 [2,0,0,0,0,0|0,0,2]=4 219 B9R0.2 O=CCCCCCC(=O)O Amb26548890 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.5 C=CCC(O)CCCCO Amb27839188 [2,0,0,0,0,0|2,0,0]=4 221 B9R0.5 C=CCCC[C@H](C)CC=O Amb28049851 [2,0,0,0,0,0|0,0,2]=4 222 B9R0.5 C=CC[C@H](O)CCCCC Amb27839428 [2,0,0,0,0,0|2,0,0]=4 223 B9R0.5 CC(CC=O)OCCCO Amb27392434 [2,0,0,0,0,0|1,0,0]=3 224 B9R0.5 CCCC(C)CCCCO Amb28046661 [2,0,0,0,0,0|1,0,1]=4 225 B9R0.5 CCCCCC(C)CC=O Amb21953169 [2,0,0,0,0,0|0,0,0]=2 226 B9R0.5 CCCCCC(C)CCBr Amb26637488 [2,0,0,0,0,0|1,0,1]=4 227 B9R0.5 CCCCCC(C)CCC Amb4035718 [2,0,0,0,0,0|1,0,1]=4 228 B9R0.5 CCCCCC(C)CCCl Amb27392063 [2,0,0,0,0,0|1,0,1]=4 229 B9R0.5 CCCCCC(C)CCN Amb24738346 [2,0,0,0,0,0|1,0,1]=4 230 B9R0.5 CCCCCC(C)CCO Amb24733660 [2,0,0,0,0,0|0,0,2]=4 231 B9R0.5 CCCCCC(C)N=C=O Amb24476932 [2,0,0,0,0,0|1,0,1]=4 232 B9R0.5 CCCCCC(C)NC=O Amb27615073 [2,0,0,0,0,0|1,0,0]=3 233 B9R0.5 CCCCCC(S)CC=O Amb27424790 [2,0,0,0,0,0|1,0,0]=3 234 B9R0.5 CCCCC[C@@H](C)N=C=O Amb10807374 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.5 CCCCC[C@H](C)CCO Amb26861853 [2,0,0,0,0,0|0,0,2]=4 236 B9R0.5 CCCCC[C@H](C)N=C=O Amb22053846 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.5 CCCCC\C(C)=C\C=O Amb27841277 [2,0,0,0,0,0|0,0,2]=4 238 B9R0.5 CCCCOC(C)CC=O Amb27838097 [2,0,0,0,0,0|1,0,0]=3 239 B9R0.5 CCC[C@H](C)CCCCO Amb27972560 [2,0,0,0,0,0|1,0,1]=4 240 B9R0.5 CCC\C=C\C(C)CC=O Amb27615137 [2,0,0,0,0,0|0,0,2]=4 241 B9R0.5 CN(CC=O)CCCCO Amb28191923 [2,0,0,0,0,0|1,0,0]=3 242 B9R0.5 COCOC[C@@H](C)CC=O Amb27792883 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.5 C\C=C/CCC(C)CC=O Amb27751342 [2,0,0,0,0,0|0,0,2]=4 244 B9R0.5 C\C=C\CCC(C)CC=O Amb27849050 [2,0,0,0,0,0|0,0,2]=4 245 B9R0.38 CC(C)(C)CCCCC=O Amb24614830 [2,0,0,0,0,0|1,0,0]=3 246 B9R0.38 CC(C)(C)CCCCCBr Amb27153170 [2,0,0,0,0,0|2,0,0]=4 247 B9R0.38 CC(C)(C)CCCCCCl Amb27247922 [2,0,0,0,0,0|2,0,0]=4 248 B9R0.38 CC(C)(C)CCCCCN Amb28241232 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.38 CC(C)(C)CCCCCO Amb27880910 [2,0,0,0,0,0|1,0,1]=4 250 B9R0.38 CC(C)(C)CCCNC=O Amb27944691 [2,0,0,0,0,0|2,0,0]=4 251 B9R0.38 CC(C)(C)OCCCC=O Amb25995379 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.38 CC(C)(C)SCCCC=O Amb27425102 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.38 CC(C)(O)C#CCCC=O Amb27260499 [2,0,0,0,0,0|0,0,2]=4 254 B9R0.38 CC(C)(O)CCCCC=O Amb28049929 [2,0,0,0,0,0|0,0,0]=2 255 B9R0.38 CC(C)(O)CCCCCBr Amb25737898 [2,0,0,0,0,0|1,0,0]=3 256 B9R0.38 CC(C)(O)CCCCCN Amb27593876 [2,0,0,0,0,0|1,0,0]=3 257 B9R0.38 CC(C)(O)CNCCCF Amb27167783 [2,0,0,0,0,0|2,0,0]=4 258 B9R0.38 CC(C)(O)CNCCCO Amb22723314 [2,0,0,0,0,0|1,0,1]=4 259 B9R0.38 CC(C)(O)COCCCCl Amb27461452 [2,0,0,0,0,0|2,0,0]=4 260 B9R0.38 CC(C)(O)COCCCN Amb27640883 [2,0,0,0,0,0|2,0,0]=4 261 B9R0.38 CC(C)(S)CCCCCO Amb27853563 [2,0,0,0,0,0|0,1,1]=4 262 B9R0.38 CCCCCCC(C)(C)C Amb10069374 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.38 CCCCCCC(C)(C)Cl Amb22228729 [2,0,0,0,0,0|1,0,1]=4 264 B9R0.38 CCCCCCC(C)(C)N Amb26336797 [2,0,0,0,0,0|1,0,1]=4 265 B9R0.38 CCCCCCC(C)(C)S Amb6366514 [2,0,0,0,0,0|0,1,1]=4 266 B9R0.38 CCCCSCC(C)(C)O Amb18792455 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.38 CCCNCCC(C)(C)O Amb27786325 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.38 CCCSCCC(C)(C)O Amb28254020 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.38 CNCCCCC(C)(C)O Amb17569963 [2,0,0,0,0,0|1,0,1]=4 270 B9R0.56 C=C(C)CCCC(C)(C)C Amb26001485 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.56 C=C(C)CCCC(C)(C)O Amb22353103 [2,0,0,0,0,0|0,0,1]=3 272 B9R0.56 C=C(C)CSCC(C)(C)O Amb27800955 [2,0,0,0,0,0|1,0,1]=4 273 B9R0.56 CC(=O)CCCC(C)(C)C Amb27466157 [2,0,0,0,0,0|1,0,1]=4 274 B9R0.56 CC(=O)CCCC(C)(C)O Amb17593627 [2,0,0,0,0,0|0,0,1]=3 275 B9R0.56 CC(=O)OCCC(C)(C)O Amb28454807 [2,0,0,0,0,0|1,0,1]=4 276 B9R0.56 CC(C)(O)CCCC(=O)O Amb24340189 [2,0,0,0,0,0|1,0,1]=4 277 B9R0.56 CC(C)(O)CCCC(=O)[O-] Amb32653027 [2,0,0,0,0,0|1,0,1]=4 278 B9R0.56 CC(C)CCCC(C)(C)Br Amb27949712 [2,0,0,0,0,0|1,0,0]=3 279 B9R0.56 CC(C)CCCC(C)(C)N Amb27412164 [2,0,0,0,0,0|1,0,0]=3 280 B9R0.56 CC(C)CCCC(C)(N)O Amb27768620 [2,0,0,0,0,0|1,0,0]=3 281 B9R0.56 CC(C)CCNC(C)(C)C Amb1113289 [2,0,0,0,0,0|2,0,0]=4 282 B9R0.56 CC(C)CNCC(C)(C)C Amb17231976 [2,0,0,0,0,0|2,0,0]=4 283 B9R0.56 CC(C)CNCC(C)(C)Cl Amb28143127 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.56 CC(C)CNCC(C)(C)O Amb17138403 [2,0,0,0,0,0|1,0,0]=3 285 B9R0.56 CC(C)OCCC(C)(C)N Amb18312888 [2,0,0,0,0,0|2,0,0]=4 286 B9R0.56 CC(C)OCCC(C)(C)O Amb33274506 [2,0,0,0,0,0|1,0,0]=3 287 B9R0.56 CC(C)SCCC(C)(C)C Amb28065488 [2,0,0,0,0,0|2,0,0]=4 288 B9R0.56 CC(C)SCCC(C)(C)N Amb28454590 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.56 CC(Cl)CCCC(C)(C)Cl Amb28126751 [2,0,0,0,0,0|2,0,0]=4 290 B9R0.56 CC(N)CCCC(C)(C)C Amb19018535 [2,0,0,0,0,0|2,0,0]=4 291 B9R0.56 CC(N)CCCC(C)(C)Cl Amb28194864 [2,0,0,0,0,0|2,0,0]=4 292 B9R0.56 CC(N)CCCC(C)(C)O Amb1089414 [2,0,0,0,0,0|1,0,0]=3 293 B9R0.56 CC(N)CCCC(C)(C)O Amb2099767 [2,0,0,0,0,0|1,0,0]=3 294 B9R0.56 CC(N)CCCC(C)(C)S Amb28119901 [2,0,0,0,0,0|1,1,0]=4 295 B9R0.56 CC(O)CCCC(C)(C)C Amb27205826 [2,0,0,0,0,0|1,0,1]=4 296 B9R0.56 CN(C)CCCC(C)(C)N Amb18202382 [2,0,0,0,0,0|2,0,0]=4 297 B9R0.56 CN(C)CCCC(C)(C)N Amb32662601 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.56 CN(C)CCCC(C)(C)O Amb26553899 [2,0,0,0,0,0|1,0,0]=3 299 B9R0.56 C[C@@H](N)CCCC(C)(C)C Amb33380505 [2,0,0,0,0,0|2,0,0]=4 300 B9R0.56 C[C@@H](O)CCCC(C)(C)C Amb33380506 [2,0,0,0,0,0|1,0,1]=4 301 B9R0.56 C[C@@H](O)CCCC(C)(C)O Amb27979592 [2,0,0,0,0,0|0,0,1]=3 302 B9R0.56 C[C@H](N)CCCC(C)(C)C Amb33380504 [2,0,0,0,0,0|2,0,0]=4 303 B9R0.56 C[C@H](O)CCCC(C)(C)C Amb33380507 [2,0,0,0,0,0|1,0,1]=4 304 B11R0.6 CC(C)=CCCC(C)CC(=O)O Amb2720520 [1,1,0,0,0,0|0,0,2]=4 305 B11R0.6 CC(C)CCCC(C)CC(=O)O Amb32412878 [1,1,0,0,0,0|0,0,0]=2 306 B11R0.6 CC(C)CCCC(C)NC(N)=S Amb403055 [1,1,0,0,0,0|1,1,0]=4 307 B11R0.6 CC(C)CCCC(N)CC(N)=O Amb33254017 [1,1,0,0,0,0|1,0,0]=3 308 B11R0.45 C=CCC(CBr)CCCC(C)C Amb32689451 [1,1,0,0,0,0|1,0,0]=3 309 B11R0.45 C=CCC(CBr)CCOC(C)C Amb32689456 [1,1,0,0,0,0|2,0,0]=4 310 B11R0.45 C=CCC(CBr)CCSC(C)C Amb32689467 [1,1,0,0,0,0|2,0,0]=4 311 B11R0.45 C=CCC(CBr)COCC(C)C Amb32690182 [1,1,0,0,0,0|2,0,0]=4 312 B11R0.45 C=CCC(CCl)CCCC(C)C Amb32689495 [1,1,0,0,0,0|1,0,0]=3 313 B11R0.45 C=CCC(CCl)CCOC(C)C Amb32689499 [1,1,0,0,0,0|2,0,0]=4 314 B11R0.45 C=CCC(CCl)CCSC(C)C Amb32689511 [1,1,0,0,0,0|2,0,0]=4 315 B11R0.45 C=CCC(CCl)COCC(C)C Amb32690181 [1,1,0,0,0,0|2,0,0]=4 316 B11R0.45 CCCC(CBr)CCCC(C)C Amb32689176 [1,1,0,0,0,0|1,0,1]=4 317 B11R0.45 CCCC(CCl)CCCC(C)C Amb32689173 [1,1,0,0,0,0|1,0,1]=4 318 B11R0.145 CC(C)=CCCC(C)C(C)C=O Amb32661016 [1,1,0,0,0,0|0,0,2]=4 319 B11R0.147 CC(C)CCCC(C)C\C=N\O Amb17843479 [1,1,0,0,0,0|0,0,1]=3 320 B11R0.31 CC(C)(C)CCCCCC(=O)O Amb3941402 [1,1,0,0,0,0|1,0,0]=3 321 B11R0.31 CC(C)(C)OCCCCC(=O)O Amb7789984 [1,1,0,0,0,0|2,0,0]=4 322 B11R0.31 CC(C)(N)COCCCC(=O)O Amb18111920 [1,1,0,0,0,0|2,0,0]=4 323 B11R0.159 CCCCCCCCC(C)(C)O Amb33330811 [1,1,0,0,0,0|1,0,1]=4 324 B11R0.24 CCC(CBr)CCCC(C)(C)C Amb32688495 [1,1,0,0,0,0|1,0,1]=4 325 B11R0.24 CCC(CC)CNCC(C)(C)O Amb33437960 [1,1,0,0,0,0|1,0,1]=4 326 B11R0.24 CCC(CCl)CCCC(C)(C)C Amb32688492 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.119 CC(CBr)CC(C)CC(C)(C)C Amb32689922 [1,1,0,0,0,0|2,0,0]=4 328 B11R0.119 CC(CCl)CC(C)CC(C)(C)C Amb32689921 [1,1,0,0,0,0|2,0,0]=4 329 B11R0.131 CC(C)(C)CCCC(C)(C)CBr Amb32688494 [1,1,0,0,0,0|2,0,0]=4 330 B11R0.131 CC(C)(C)CCCC(C)(C)CCl Amb32688491 [1,1,0,0,0,0|2,0,0]=4 331 B11R0.290 CCC(C)C(C)NCC(C)(C)O Amb18795153 [1,1,0,0,0,0|1,0,1]=4 332 B11R0.318 CC(C)(C)CCCC(N)C(=O)O Amb33065415 [1,1,0,0,0,0|2,0,0]=4 333 B11R0.318 CC(C)(C)CCCC(N)C(N)=O Amb33065926 [1,1,0,0,0,0|2,0,0]=4 334 B11R0.318 CC(C)(C)CCC[C@@H](N)C(=O)O Amb33035589 [1,1,0,0,0,0|2,0,0]=4 335 B11R0.318 CC(C)(C)CCC[C@H](N)C(=O)O Amb33036857 [1,1,0,0,0,0|2,0,0]=4 336 B11R0.318 CC(C)N(C)CCCC(C)(C)O Amb33225696 [1,1,0,0,0,0|1,0,1]=4 337 B11R0.318 CC(CCCC(C)(C)C)C(=O)O Amb32954469 [1,1,0,0,0,0|1,0,0]=3 338 B11R0.318 CC(CCOC(C)(C)C)C(=O)O Amb33429828 [1,1,0,0,0,0|2,0,0]=4 339 B11R0.318 C[C@@H](CCCC(C)(C)C)C(=O)O Amb33749519 [1,1,0,0,0,0|1,0,0]=3 340 B11R0.318 C[C@H](CCCC(C)(C)C)C(=O)O Amb33749395 [1,1,0,0,0,0|1,0,0]=3 341 B11R0.320 C=CC(C)CCCC(C)(C)OC Amb1038982 [1,1,0,0,0,0|0,0,1]=3 342 B11R0.196 C=CCC(CBr)CCC(C)(C)C Amb32689449 [0,1,0,0,1,0|2,0,0]=4 343 B11R0.196 C=CCC(CCl)CCC(C)(C)C Amb32689493 [0,1,0,0,1,0|2,0,0]=4 344 B11R0.337 CC(COC(C)(C)C)CC(=O)O Amb33171489 [0,1,0,0,1,0|2,0,0]=4 345 B13R0.82 CC(CC(=O)O)CC(N)CC(C)(C)C Amb32669807 [0,2,0,0,0,0|1,0,0]=3 346 B13R0.82 CC(CC(N)CC(=O)O)CC(C)(C)C Amb9173905 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.15 C=CCC(N)C1CCC(C)C1 Amb27225608 [1,0,0,1,0,0|2,0,0]=4 348 B11R1.15 C=CCC(N)C1CCC(C)O1 Amb27460789 [1,0,0,1,0,0|2,0,0]=4 349 B11R1.15 C=CCN(C)C1CCC(C)C1 Amb27205694 [1,0,0,1,0,0|2,0,0]=4 350 B11R1.15 CC(CCN)C1CC[C@@H](C)O1 Amb33423404 [1,0,0,1,0,0|1,0,1]=4 351 B11R1.15 CC(CCO)C1CCC(O)C1 Amb27604495 [1,0,0,1,0,0|0,0,2]=4 352 B11R1.15 CC(CON)C1CC[C@@H](C)O1 Amb33448097 [1,0,0,1,0,0|2,0,0]=4 353 B11R1.15 CC(N=C=O)C1CC[C@@H](C)O1 Amb33423372 [1,0,0,1,0,0|1,0,1]=4 354 B11R1.15 CC1CC(N(C)CC=O)CO1 Amb35713980 [1,0,0,1,0,0|2,0,0]=4 355 B11R1.15 CC1CCC(C(C)CC=O)O1 Amb27870859 [1,0,0,1,0,0|0,0,0]=2 356 B11R1.15 C[C@@H](CC=O)[C@H]1CCC(=O)C1 Amb28052614 [1,0,0,1,0,0|0,0,2]=4 357 B11R1.64 C=C(C)C1CCC(C)C1C=O Amb27238520 [1,0,0,1,0,0|0,0,2]=4 358 B11R1.64 C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C=O Amb27788125 [1,0,0,1,0,0|0,0,2]=4 359 B11R1.64 C=C(C)[C@@H]1CC[C@H](C)[C@H]1C=O Amb27210240 [1,0,0,1,0,0|0,0,2]=4 360 B11R1.64 C=C(C)[C@H]1CC[C@H](C)[C@@H]1C=O Amb28052647 [1,0,0,1,0,0|0,0,2]=4 361 B11R1.64 CC(C)=C1CC[C@@H](C)[C@H]1C=O Amb26388583 [1,0,0,1,0,0|0,0,2]=4 362 B11R1.64 CC(C)[C@@H]1CC[C@@H](C)C1C=O Amb27789561 [1,0,0,1,0,0|0,0,0]=2 363 B11R1.64 CC(C)[C@@H]1CC[C@@H](C)[C@@H]1C=O Amb27788422 [1,0,0,1,0,0|0,0,0]=2 364 B11R1.64 CC(C)[C@@H]1CC[C@H](C)C1CO Amb28435967 [1,0,0,1,0,0|0,0,2]=4 365 B11R1.64 CC(C)[C@@H]1CC[C@H](C)[C@@H]1C=O Amb28133433 [1,0,0,1,0,0|0,0,0]=2 366 B11R1.64 CC(C)[C@@H]1CC[C@H](C)[C@@H]1CO Amb27184276 [1,0,0,1,0,0|0,0,2]=4 367 B11R1.64 CC1=C(C=O)C(C(C)C)CC1 Amb18125483 [1,0,0,1,0,0|0,0,2]=4 368 B11R1.64 CC1=C(C=O)[C@@H](C(C)C)CC1 Amb28071201 [1,0,0,1,0,0|0,0,2]=4 369 B11R1.90 CC(O)CC[C@H]1CCC[C@@H]1C Amb27198020 [1,0,0,1,0,0|1,0,1]=4 370 B11R1.90 CC(O)CC[C@H]1CCC[C@H]1C Amb27472609 [1,0,0,1,0,0|1,0,1]=4 371 B11R1.120 CC(C)CC1CC(CC=O)C1 Amb27674307 [1,0,0,1,0,0|0,0,0]=2 372 B11R1.120 CC(C)CC1CC(CCN)C1 Amb27674306 [1,0,0,1,0,0|1,0,1]=4 373 B11R1.120 CNCC1CC(CC(C)C)C1 Amb27674258 [1,0,0,1,0,0|2,0,0]=4 374 B11R1.124 CC(C)C1CC(NC=O)CO1 Amb29884628 [1,0,0,1,0,0|2,0,0]=4 375 B11R1.124 CC(C)C1CCC(CC=O)C1 Amb18644690 [1,0,0,1,0,0|0,0,0]=2 376 B11R1.124 CC(C)C1CCC(CCO)C1 Amb26562340 [1,0,0,1,0,0|0,0,2]=4 377 B11R1.124 CC(C)C1CCN(CC=O)C1 Amb28364675 [1,0,0,1,0,0|1,0,0]=3 378 B11R1.124 CC(C)N1CCC(NC=O)C1 Amb27231883 [1,0,0,1,0,0|2,0,0]=4 379 B11R1.124 CC(O)C1CC(NC=O)CO1 Amb27778494 [1,0,0,1,0,0|2,0,0]=4 380 B11R1.135 C=CCN1CCCC(C)CC1 Amb28453907 [1,0,0,1,0,0|2,0,0]=4 381 B11R1.135 CC1CCCC(N=C=O)CC1 Amb27267549 [1,0,0,1,0,0|1,0,1]=4 382 B11R1.135 CN1CCCC(CC=O)CC1 Amb27962399 [1,0,0,1,0,0|1,0,0]=3 383 B11R1.135 O=CCN1CCCC(O)CC1 Amb27420864 [1,0,0,1,0,0|1,0,0]=3 384 B11R1.154 CC(C)CCOC1CC(=O)C1 Amb27271380 [1,0,0,1,0,0|1,0,0]=3 385 B11R1.157 CC(C)CC1CC(C)CCN1 Amb24666431 [1,0,0,1,0,0|1,0,1]=4 386 B11R1.157 CC(C)CC1CC(C)CCO1 Amb27844938 [1,0,0,1,0,0|0,0,2]=4 387 B11R1.157 CC(C)CC1CNCC(C)C1 Amb27162819 [1,0,0,1,0,0|2,0,0]=4 388 B11R1.157 CC(O)CC1CCCC(C)C1 Amb27780208 [1,0,0,1,0,0|1,0,1]=4 389 B11R1.166 C=C(C)C1CCC(C)CC1=O Amb17593802 [1,0,0,1,0,0|0,0,2]=4 390 B11R1.166 C=C(C)[C@@H]1CC[C@@H](C)CC1=O Amb26041214 [1,0,0,1,0,0|0,0,2]=4 391 B11R1.166 C=C(C)[C@H]1CC[C@@H](C)CC1=O Amb28053971 [1,0,0,1,0,0|0,0,2]=4 392 B11R1.166 CC(C)=C1CCC(C)CC1=O Amb2781516 [1,0,0,1,0,0|0,0,2]=4 393 B11R1.166 CC(C)=C1CC[C@@H](C)CC1=O Amb533074 [1,0,0,1,0,0|0,0,2]=4 394 B11R1.166 CC(C)=C1CC[C@H](C)CC1=O Amb6600345 [1,0,0,1,0,0|0,0,2]=4 395 B11R1.166 CC(C)C1CCC(=O)CC1=O Amb25320087 [1,0,0,1,0,0|1,0,1]=4 396 B11R1.166 CC(C)C1CC[C@@H](C)CC1=O Amb28461172 [1,0,0,1,0,0|0,0,0]=2 397 B11R1.166 CC(C)C1CC[C@@H](C)CC1O Amb26629252 [1,0,0,1,0,0|0,0,2]=4 398 B11R1.166 CC(C)C1CC[C@@H](C)C[C@H]1O Amb26640257 [1,0,0,1,0,0|0,0,2]=4 399 B11R1.166 CC(C)C1CC[C@H](C)CC1=O Amb28285026 [1,0,0,1,0,0|0,0,0]=2 400 B11R1.166 CC(C)C1CC[C@H](C)C[C@H]1O Amb28319899 [1,0,0,1,0,0|0,0,2]=4 401 B11R1.166 CC(C)N1CCC(N)CC1=O Amb24450076 [1,0,0,1,0,0|2,0,0]=4 402 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O Amb533136 [1,0,0,1,0,0|0,0,0]=2 403 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1N Amb25264346 [1,0,0,1,0,0|1,0,1]=4 404 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1O Amb27463885 [1,0,0,1,0,0|0,0,2]=4 405 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N Amb24514877 [1,0,0,1,0,0|1,0,1]=4 406 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O Amb4605936 [1,0,0,1,0,0|0,0,2]=4 407 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Br Amb27427720 [1,0,0,1,0,0|1,0,1]=4 408 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Cl Amb22337785 [1,0,0,1,0,0|1,0,1]=4 409 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1F Amb25912098 [1,0,0,1,0,0|1,0,1]=4 410 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N Amb10844841 [1,0,0,1,0,0|1,0,1]=4 411 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N Amb32682459 [1,0,0,1,0,0|1,0,1]=4 412 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O Amb532954 [1,0,0,1,0,0|0,0,2]=4 413 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O Amb27254302 [1,0,0,1,0,0|0,0,0]=2 414 B11R1.166 CC(C)[C@@H]1CC[C@H](C)C[C@H]1O Amb18511854 [1,0,0,1,0,0|0,0,2]=4 415 B11R1.166 CC(C)[C@H]1CC[C@@H](C)CC1=O Amb2404928 [1,0,0,1,0,0|0,0,0]=2 416 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Cl Amb27788546 [1,0,0,1,0,0|1,0,1]=4 417 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N Amb27845476 [1,0,0,1,0,0|1,0,1]=4 418 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O Amb4605937 [1,0,0,1,0,0|0,0,2]=4 419 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1Br Amb26976825 [1,0,0,1,0,0|1,0,1]=4 420 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1Cl Amb27776776 [1,0,0,1,0,0|1,0,1]=4 421 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1N Amb25326345 [1,0,0,1,0,0|1,0,1]=4 422 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1O Amb557857 [1,0,0,1,0,0|0,0,2]=4 423 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O Amb22232056 [1,0,0,1,0,0|0,0,0]=2 424 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1O Amb27448744 [1,0,0,1,0,0|0,0,2]=4 425 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1Br Amb27488203 [1,0,0,1,0,0|1,0,1]=4 426 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1N Amb26387818 [1,0,0,1,0,0|1,0,1]=4 427 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1N Amb32664902 [1,0,0,1,0,0|1,0,1]=4 428 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O Amb6600314 [1,0,0,1,0,0|0,0,2]=4 429 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1S Amb27964984 [1,0,0,1,0,0|0,1,1]=4 430 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@H]1S Amb25294009 [1,0,0,1,0,0|0,1,1]=4 431 B11R1.166 CC1=CC(=O)C(C(C)C)CC1 Amb17593801 [1,0,0,1,0,0|0,0,2]=4 432 B11R1.166 CC1=CC(=O)[C@@H](C(C)C)CC1 Amb25768486 [1,0,0,1,0,0|0,0,2]=4 433 B11R1.166 CC1=CC(=O)[C@H](C(C)C)CC1 Amb22736504 [1,0,0,1,0,0|0,0,2]=4 434 B11R1.166 CC1=CC[C@@H](C(C)C)C(=O)C1 Amb27244700 [1,0,0,1,0,0|0,0,2]=4 435 B11R1.166 CC1CCC(C(C)C)C(=N)C1 Amb26549131 [1,0,0,1,0,0|1,0,0]=3 436 B11R1.166 CC1CCC(C(C)C)C(=O)C1 Amb9702855 [1,0,0,1,0,0|0,0,0]=2 437 B11R1.166 CC1CCC(C(C)C)C(Cl)C1 Amb7764627 [1,0,0,1,0,0|1,0,1]=4 438 B11R1.166 CC1CCC(C(C)C)C(N)C1 Amb1120445 [1,0,0,1,0,0|1,0,1]=4 439 B11R1.166 CC1CCC(C(C)C)C(O)C1 Amb2450917 [1,0,0,1,0,0|0,0,2]=4 440 B11R1.166 CC1CCC(C(C)C)C(S)C1 Amb7784763 [1,0,0,1,0,0|0,1,1]=4 441 B11R1.166 CC1CCC(C(C)C)[C@@H](O)C1 Amb27478721 [1,0,0,1,0,0|0,0,2]=4 442 B11R1.166 CC1CCC(C(C)O)N(C)C1 Amb27766574 [1,0,0,1,0,0|2,0,0]=4 443 B11R1.166 CC1CC[C@@H](C(C)C)C(=O)C1 Amb28253649 [1,0,0,1,0,0|0,0,0]=2 444 B11R1.166 CC1CC[C@@H](C(C)C)[C@@H](O)C1 Amb28127470 [1,0,0,1,0,0|0,0,2]=4 445 B11R1.166 CC1CC[C@@H](C(C)C)[C@H](O)C1 Amb27441092 [1,0,0,1,0,0|0,0,2]=4 446 B11R1.166 CC1CC[C@H](C(C)C)[C@@H](O)C1 Amb28367400 [1,0,0,1,0,0|0,0,2]=4 447 B11R1.166 CC1CS(=O)C(C(C)C)CN1 Amb27979737 [1,0,0,1,0,0|2,0,0]=4 448 B11R1.172 CC(C)CCCC1CCNC1 Amb21959202 [1,0,0,1,0,0|1,0,1]=4 449 B11R1.172 CC(C)CCNC1CC=CC1 Amb27271219 [1,0,0,1,0,0|2,0,0]=4 450 B11R1.172 CC(C)CNCC1CC=CC1 Amb28388151 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.172 CC(O)CCCC1CCCC1 Amb26992742 [1,0,0,1,0,0|1,0,1]=4 452 B11R1.172 CC(O)CCCC1CCNC1 Amb27671426 [1,0,0,1,0,0|1,0,1]=4 453 B11R1.172 CC(O)CCCC1CCOC1 Amb28080595 [1,0,0,1,0,0|0,0,2]=4 454 B11R1.172 CC(O)CCCN1CC=CC1 Amb27269125 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.172 C[C@@H](O)CCCC1CCCC1 Amb33378384 [1,0,0,1,0,0|1,0,1]=4 456 B11R1.172 C[C@H](O)CCCC1CCCC1 Amb33378386 [1,0,0,1,0,0|1,0,1]=4 457 B11R1.201 C=CCC(C)NC1CC(C)C1 Amb27269811 [1,0,0,1,0,0|2,0,0]=4 458 B11R1.201 C=CCN(C)CC1CC(O)C1 Amb27269303 [1,0,0,1,0,0|2,0,0]=4 459 B11R1.342 C#CCC1CCCC(C)(C)C1 Amb32724850 [1,0,0,1,0,0|1,0,1]=4 460 B11R1.342 CC1(C)CC(CC=O)CCO1 Amb18125996 [1,0,0,1,0,0|1,0,0]=3 461 B11R1.342 CC1(C)CCCC(CC#N)C1 Amb32725007 [1,0,0,1,0,0|1,0,1]=4 462 B11R1.342 CC1(C)CCCC(CC=O)C1 Amb26994329 [1,0,0,1,0,0|0,0,0]=2 463 B11R1.342 CC1(C)CCCC(CCBr)C1 Amb33244350 [1,0,0,1,0,0|1,0,1]=4 464 B11R1.342 CC1(C)CCCC(CCN)C1 Amb18200306 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.342 CC1(C)CCCC(CCO)C1 Amb28350242 [1,0,0,1,0,0|0,0,2]=4 466 B11R1.342 CC1(C)CCCC(CCS)C1 Amb32732301 [1,0,0,1,0,0|0,1,1]=4 467 B11R1.342 CC1(C)CCCC(CNN)C1 Amb32724878 [1,0,0,1,0,0|2,0,0]=4 468 B11R1.342 CC1(C)CCCC(CNO)C1 Amb32725155 [1,0,0,1,0,0|1,0,1]=4 469 B11R1.342 CC1(C)CCCC(CON)C1 Amb32724877 [1,0,0,1,0,0|2,0,0]=4 470 B11R1.342 CC1(C)CCCC(N=C=O)C1 Amb27409487 [1,0,0,1,0,0|1,0,1]=4 471 B11R1.342 CC1(C)CCCC(\C=C\Br)C1 Amb33135208 [1,0,0,1,0,0|1,0,1]=4 472 B11R1.342 CC1(C)CCC\C(=C/C=O)C1 Amb22731007 [1,0,0,1,0,0|0,0,2]=4 473 B11R1.342 CC1(C)CCC\C(=C\C=O)C1 Amb17593811 [1,0,0,1,0,0|0,0,2]=4 474 B11R1.342 CC1(C)CN(CC=O)CCO1 Amb18183157 [1,0,0,1,0,0|2,0,0]=4 475 B11R1.342 CC1(C)OCC[C@H](CC=O)O1 Amb27176497 [1,0,0,1,0,0|2,0,0]=4 476 B11R1.342 CC1(O)CCCN(CC=O)C1 Amb28060514 [1,0,0,1,0,0|1,0,0]=3 477 B11R1.342 CNCC1CCCC(C)(C)C1 Amb25261409 [1,0,0,1,0,0|2,0,0]=4 478 B11R1.342 O=CCC1CCCC(F)(F)C1 Amb28121525 [1,0,0,1,0,0|2,0,0]=4 479 B11R1.342 [C-]#[N+]CC1CCCC(C)(C)C1 Amb33224323 [1,0,0,1,0,0|2,0,0]=4 480 B11R1.424 CC1=C(C=O)C(C)(C)CCC1 Amb3939526 [1,0,0,1,0,0|0,0,2]=4 481 B11R1.424 CC1=CCCC(C)(C)C1C=O Amb16233072 [1,0,0,1,0,0|0,0,2]=4 482 B11R1.424 CC1=CCCC(C)(C)[C@@H]1C=O Amb27176353 [1,0,0,1,0,0|0,0,2]=4 483 B11R1.424 CC1=CCCC(C)(C)[C@H]1C=O Amb27176368 [1,0,0,1,0,0|0,0,2]=4 484 B11R1.424 CC1CCCC(C)(C)C1C=O Amb18125805 [1,0,0,1,0,0|0,0,0]=2 485 B11R1.424 CC1CCCC(C)(C)C1CO Amb25048146 [1,0,0,1,0,0|0,0,2]=4 486 B11R1.424 C[C@@H]1CCCC(C)(C)[C@@H]1C=O Amb26440380 [1,0,0,1,0,0|0,0,0]=2 487 B11R1.424 C[C@@H]1CCCC(C)(C)[C@@H]1CO Amb28138378 [1,0,0,1,0,0|0,0,2]=4 488 B11R1.424 C[C@@H]1CCCC(C)(C)[C@H]1C=O Amb27629778 [1,0,0,1,0,0|0,0,0]=2 489 B11R1.424 C[C@H]1CCCC(C)(C)C1C=O Amb27967211 [1,0,0,1,0,0|0,0,0]=2 490 B11R1.424 C[C@H]1CCCC(C)(C)[C@@H]1C=O Amb27975824 [1,0,0,1,0,0|0,0,0]=2 491 B11R1.424 C[C@H]1CCCC(C)(C)[C@@H]1CO Amb27630317 [1,0,0,1,0,0|0,0,2]=4 492 B11R1.424 C[C@H]1CCCC(C)(C)[C@H]1CO Amb27213572 [1,0,0,1,0,0|0,0,2]=4 493 B11R1.563 CC1CCCC(C)CC(=O)C1 Amb27267159 [1,0,0,1,0,0|0,0,0]=2 494 B11R1.563 CC1CCCC(O)CC(=O)O1 Amb27651827 [1,0,0,1,0,0|1,0,0]=3 495 B11R1.563 C[C@@H]1CCC[C@@H](O)CC(=O)O1 Amb27485838 [1,0,0,1,0,0|1,0,0]=3 496 B11R1.563 C[C@@H]1CCC[C@H](O)CC(=O)O1 Amb28207207 [1,0,0,1,0,0|1,0,0]=3 497 B11R1.565 CC1CCNC(C(C)C)CC1 Amb19335579 [1,0,0,1,0,0|1,0,1]=4 498 B11R1.645 CC(C)CC1=CC(C)CC1=O Amb26880498 [1,0,0,1,0,0|0,0,2]=4 499 B11R1.645 CC(C)CN1CC(N)CC1=O Amb9382417 [1,0,0,1,0,0|2,0,0]=4 500 B11R1.645 CC(C)NC1CC(C)OC1=O Amb27840174 [1,0,0,1,0,0|2,0,0]=4 501 B11R1.645 CC(O)CN1CC(C)OC1=O Amb10808129 [1,0,0,1,0,0|2,0,0]=4 502 B11R1.645 CC1=CC(=O)C(CC(C)C)C1 Amb27861201 [1,0,0,1,0,0|0,0,2]=4 503 B11R1.645 CC1CC(=O)N(C[C@H](C)O)C1 Amb27965197 [1,0,0,1,0,0|1,0,0]=3 504 B11R1.645 CC1CC(CN(C)C)C(=O)O1 Amb27875590 [1,0,0,1,0,0|2,0,0]=4 505 B11R1.720 CC(CCC[C@@H](C)O)C1CC1 Amb32728606 [1,0,0,1,0,0|1,0,1]=4 506 B11R1.720 CC(CCC[C@H](C)O)C1CC1 Amb32728607 [1,0,0,1,0,0|1,0,1]=4 507 B11R1.720 CC(O)CCCC(C)C1CC1 Amb32728609 [1,0,0,1,0,0|1,0,1]=4 508 B11R1.765 CC(C)=CC1CC1(C)CC=O Amb27948668 [1,0,0,1,0,0|0,0,2]=4 509 B11R1.765 CC(C)=C[C@H]1C[C@@]1(C)CC=O Amb27788114 [1,0,0,1,0,0|0,0,2]=4 510 B11R1.770 CC(=O)[C@@H]1CC[C@]1(C)CC=O Amb28057792 [1,0,0,1,0,0|0,0,2]=4 511 B11R1.770 CC(C)[C@@H]1CC[C@]1(C)CCO Amb27789846 [1,0,0,1,0,0|0,0,2]=4 512 B11R1.770 C[C@@H](O)[C@H]1CC[C@@]1(C)CCO Amb28292211 [1,0,0,1,0,0|0,0,2]=4 513 B11R1.824 CC(CC=O)C1C=CC1(C)C Amb27259198 [1,0,0,1,0,0|0,0,2]=4 514 B11R1.824 CN(CC=O)C1CCC1(C)C Amb35619328 [1,0,0,1,0,0|1,0,0]=3 515 B11R1.824 C[C@H](CC=O)C1C=CC1(C)C Amb27749618 [1,0,0,1,0,0|0,0,2]=4 516 B11R1.956 CN1CCCN(C)C(C=O)C1 Amb27223089 [1,0,0,1,0,0|2,0,0]=4 517 B11R1.1241 C#CCC1(C)CCCC1(C)O Amb27944592 [1,0,0,1,0,0|1,0,1]=4 518 B11R1.1241 C=CCC1(C)CCCC1(C)O Amb26312292 [1,0,0,1,0,0|1,0,0]=3 519 B11R1.1241 C=CCC1(O)CCCC1(C)C Amb27945640 [1,0,0,1,0,0|2,0,0]=4 520 B11R1.1241 CC1(C)COCC1(O)CC=O Amb27489747 [1,0,0,1,0,0|2,0,0]=4 521 B11R1.1241 CCCC1(C)CCCC1(C)O Amb26026886 [1,0,0,1,0,0|1,0,1]=4 522 B11R1.1241 COCC1(C)CCCC1(C)O Amb24376727 [1,0,0,1,0,0|2,0,0]=4 523 B11R1.1241 C\C=C\C1(C)CCCC1(C)O Amb32944853 [1,0,0,1,0,0|1,0,1]=4 524 B11R1.1251 C=CCC1(C)CCCC(O)O1 Amb27823541 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.1251 C=CCC1(N)CCCC(C)C1 Amb35678357 [1,0,0,1,0,0|2,0,0]=4 526 B11R1.1251 C=CCC1(O)CCCC(C)C1 Amb26371118 [1,0,0,1,0,0|2,0,0]=4 527 B11R1.1251 CC1(CC=O)CCCC(=O)C1 Amb28201175 [1,0,0,1,0,0|0,0,2]=4 528 B11R1.1251 CC1=CC(C)(CC=O)CCC1 Amb27184106 [1,0,0,1,0,0|0,0,2]=4 529 B11R1.1251 CC1CC=CC(C)(CC=O)C1 Amb28252403 [1,0,0,1,0,0|0,0,2]=4 530 B11R1.1251 CN1CCCC(O)(CC=O)C1 Amb28365097 [1,0,0,1,0,0|2,0,0]=4 531 B11R1.1251 CNCC1(C)CCCC(C)C1 Amb27492803 [1,0,0,1,0,0|2,0,0]=4 532 B11R1.58 CC(C)(O)[C@@H]1CCCN1C=O Amb25783710 [1,0,0,1,0,0|1,0,0]=3 533 B11R1.87 CC(C)(C)C1CCCCC1=O Amb4013030 [1,0,0,1,0,0|1,0,0]=3 534 B11R1.87 CC(C)(C)C1CCCNC1=O Amb27882763 [1,0,0,1,0,0|2,0,0]=4 535 B11R1.87 CC(C)(C)C1OCCCC1=O Amb33803356 [1,0,0,1,0,0|2,0,0]=4 536 B11R1.87 CC(C)(O)C1CCC=CC1=O Amb27948577 [1,0,0,1,0,0|0,0,2]=4 537 B11R1.87 CC(C)(O)C1CCCCC1=O Amb25712921 [1,0,0,1,0,0|0,0,0]=2 538 B11R1.87 CC(C)(O)[C@@H]1CCCC[C@H]1O Amb27448158 [1,0,0,1,0,0|0,0,2]=4 539 B11R1.87 CN1CCCCC1C(C)(C)O Amb25185143 [1,0,0,1,0,0|2,0,0]=4 540 B11R1.87 CN1CCCCC1C(C)(C)O Amb33299444 [1,0,0,1,0,0|2,0,0]=4 541 B11R1.105 CC(C)(C)CN1CCCC1=O Amb27267976 [1,0,0,1,0,0|2,0,0]=4 542 B11R1.105 CC(C)(O)CC1CCNC1=O Amb24486757 [1,0,0,1,0,0|1,0,0]=3 543 B11R1.105 CN1CCCC1CC(C)(C)O Amb33320767 [1,0,0,1,0,0|2,0,0]=4 544 B11R1.114 CC(C)(O)[C@@H]1CC[C@@H]1CCO Amb27431322 [1,0,0,1,0,0|0,0,2]=4 545 B11R1.213 C=CCCC1COC(C)(C)O1 Amb27596104 [1,0,0,1,0,0|2,0,0]=4 546 B11R1.213 CC1(C)CCC(CCC=O)C1 Amb33202257 [1,0,0,1,0,0|1,0,0]=3 547 B11R1.213 CC1(C)CCC(CCC=O)O1 Amb28073903 [1,0,0,1,0,0|0,0,0]=2 548 B11R1.213 CC1(C)CCC(CCCBr)O1 Amb26460619 [1,0,0,1,0,0|1,0,1]=4 549 B11R1.213 CC1(C)CCC(CCCCl)O1 Amb25783320 [1,0,0,1,0,0|1,0,1]=4 550 B11R1.213 CC1(C)CCC(CN=C=O)O1 Amb35726701 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.213 CC1(C)CCC(CNC=O)O1 Amb29860969 [1,0,0,1,0,0|1,0,0]=3 552 B11R1.213 CC1(C)CCN(CCC=O)C1 Amb27869422 [1,0,0,1,0,0|2,0,0]=4 553 B11R1.213 CC1(C)OCC(CCC=O)O1 Amb25066494 [1,0,0,1,0,0|1,0,0]=3 554 B11R1.213 CC1(C)OC[C@@H](CCC=O)O1 Amb27859516 [1,0,0,1,0,0|1,0,0]=3 555 B11R1.213 CNCCC1CCC(C)(C)O1 Amb28367614 [1,0,0,1,0,0|2,0,0]=4 556 B11R1.217 CC(C)(C)C1CC1CNC=O Amb35600714 [1,0,0,1,0,0|2,0,0]=4 557 B11R1.509 CC(C)(O)CC1CC=CCC1 Amb33316333 [1,0,0,1,0,0|1,0,1]=4 558 B11R1.509 CC(C)(O)CC1CCCCC1 Amb28313679 [1,0,0,1,0,0|1,0,1]=4 559 B11R1.509 CC(C)(O)CC1CCCCO1 Amb33375674 [1,0,0,1,0,0|0,0,2]=4 560 B11R1.509 CC(C)(O)CC1CCCNC1 Amb25282624 [1,0,0,1,0,0|2,0,0]=4 561 B11R1.509 CC(C)(O)CC1CCCNC1 Amb32667623 [1,0,0,1,0,0|2,0,0]=4 562 B11R1.509 CC(C)(O)CC1CCCOC1 Amb33358503 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.509 CC(C)(O)CC1CCCSC1 Amb32726274 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.510 CC(C)(O)CCC1CCCC1 Amb25771212 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.510 CC(C)(O)CCC1CCCO1 Amb17672758 [1,0,0,1,0,0|0,0,2]=4 566 B11R1.510 CC(C)(O)CNC1C=CCC1 Amb35722445 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.543 CC1(O)CCCCCCCC1 Amb22342433 [1,0,0,1,0,0|1,0,1]=4 568 B11R1.758 C=CCCCN1CC(C)(O)C1 Amb27271615 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.758 O=CCCCC1CC(F)(F)C1 Amb32814120 [1,0,0,1,0,0|2,0,0]=4 570 B11R1.1121 CC(C)(O)C1CCCCCC1 Amb25302388 [1,0,0,1,0,0|1,0,1]=4 571 B11R1.1121 CC(C)(O)C1CCCCCN1 Amb27401338 [1,0,0,1,0,0|1,0,1]=4 572 B11R1.19 CC(C)(O)C1C=CC(O)CC1 Amb28281851 [1,0,0,1,0,0|1,0,1]=4 573 B11R1.19 CC(C)(O)C1CCC(F)CC1 Amb29837921 [1,0,0,1,0,0|1,0,1]=4 574 B11R1.19 CC(C)(O)C1CCC(N)CC1 Amb26868865 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.19 CC(C)(O)C1CCC(N)CO1 Amb27868372 [1,0,0,1,0,0|1,0,1]=4 576 B11R1.19 CC(C)(O)[C@@H]1C=CC(O)CC1 Amb27602552 [1,0,0,1,0,0|1,0,1]=4 577 B11R1.19 CC(C)(O)[C@@H]1CC[C@@H](N)CO1 Amb27254255 [1,0,0,1,0,0|1,0,1]=4 578 B11R1.19 CC(C)(O)[C@H]1CC[C@@H](N)CC1 Amb26879081 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.19 CC(C)(O)[C@H]1CC[C@H](N)CC1 Amb22746438 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.19 CC1=CCC(C(C)(C)O)CC1 Amb2404780 [1,0,0,1,0,0|1,0,1]=4 581 B11R1.19 CC1=CC[C@@H](C(C)(C)O)CC1 Amb3635651 [1,0,0,1,0,0|1,0,1]=4 582 B11R1.19 CC1CC=C(C(C)(C)O)CC1 Amb24575146 [1,0,0,1,0,0|0,0,1]=3 583 B11R1.19 CC1CCC(C(C)(C)Br)CC1 Amb33347681 [1,0,0,1,0,0|1,0,1]=4 584 B11R1.19 CC1CCC(C(C)(C)C)CC1 Amb24484376 [1,0,0,1,0,0|1,0,1]=4 585 B11R1.19 CC1CCC(C(C)(C)Cl)CC1 Amb33347659 [1,0,0,1,0,0|1,0,1]=4 586 B11R1.19 CC1CCC(C(C)(C)N)CC1 Amb25923085 [1,0,0,1,0,0|1,0,1]=4 587 B11R1.19 CC1CCC(C(C)(C)O)CC1 Amb28067702 [1,0,0,1,0,0|0,0,1]=3 588 B11R1.19 CN1CCC(C(C)(C)O)CC1 Amb27455298 [1,0,0,1,0,0|1,0,1]=4 589 B11R1.45 CC(C)(C)C1CCN(C=O)C1 Amb27244596 [1,0,0,1,0,0|2,0,0]=4 590 B11R1.45 CC(C)(F)C1CCC(CN)C1 Amb28251587 [1,0,0,1,0,0|2,0,0]=4 591 B11R1.76 C[C@@H]1CCC(CC(C)(C)O)O1 Amb33423347 [1,0,0,1,0,0|1,0,1]=4 592 B11R1.263 CC(C)(O)CN1CC(CO)C1 Amb28060641 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.263 CCC1CN(CC(C)(C)O)C1 Amb27647950 [1,0,0,1,0,0|1,0,1]=4 594 B11R1.316 CC(C)(C)C1CCC(F)C1=O Amb28284897 [1,0,0,1,0,0|2,0,0]=4 595 B11R1.316 CC(C)(C)[C@@H]1CC[C@H](F)C1=O Amb28057529 [1,0,0,1,0,0|2,0,0]=4 596 B11R1.316 CC1CCC(C(C)(C)C)C1=O Amb28201065 [1,0,0,1,0,0|1,0,0]=3 597 B11R1.316 CC1CCC(C(C)(C)C)C1O Amb27766528 [1,0,0,1,0,0|1,0,1]=4 598 B11R1.316 CC1CCC(C(C)(C)N)C1N Amb27974536 [1,0,0,1,0,0|2,0,0]=4 599 B11R1.316 CC1CCC(C(C)(C)O)C1=O Amb27861187 [1,0,0,1,0,0|0,0,0]=2 600 B11R1.316 CC1CCC(C(C)(C)O)C1O Amb28345110 [1,0,0,1,0,0|0,0,1]=3 601 B11R1.316 CC1CC[C@@H](C(C)(C)Cl)[C@@H]1O Amb27484818 [1,0,0,1,0,0|1,0,1]=4 602 B11R1.316 C[C@@H]1CC[C@@H](C(C)(C)Cl)[C@H]1O Amb27218583 [1,0,0,1,0,0|1,0,1]=4 603 B11R1.316 C[C@@H]1CC[C@@H](C(C)(C)F)[C@@H]1O Amb27197906 [1,0,0,1,0,0|1,0,1]=4 604 B11R1.316 C[C@H]1CC[C@@H](C(C)(C)F)[C@@H]1O Amb25964361 [1,0,0,1,0,0|1,0,1]=4 605 B11R1.522 CC(C)(O)CNCC1(C)CC1 Amb27818593 [1,0,0,1,0,0|1,0,1]=4 606 B11R1.561 CC1(C)CCCC(Cl)C(=O)N1 Amb27955232 [1,0,0,1,0,0|2,0,0]=4 607 B11R1.561 CC1CCCC(C)(C)CC1=O Amb22356360 [1,0,0,1,0,0|1,0,0]=3 608 B11R1.858 CC(CO)CCC1CC1(C)C Amb28080001 [1,0,0,1,0,0|1,0,1]=4 609 B11R1.858 C[C@@H](C=O)CCC1OC1(C)C Amb28080225 [1,0,0,1,0,0|0,0,0]=2 610 B11R1.866 CC(C=O)C1CCC(C)(C)C1 Amb33360118 [1,0,0,1,0,0|1,0,0]=3 611 B11R1.866 CC(C=O)C1CCC(C)(C)O1 Amb27972981 [1,0,0,1,0,0|0,0,0]=2 612 B11R1.866 CC(C=O)C1COC(C)(C)O1 Amb26869582 [1,0,0,1,0,0|1,0,0]=3 613 B11R1.866 CC(C=O)N1CCC(C)(C)C1 Amb30035826 [1,0,0,1,0,0|2,0,0]=4 614 B11R1.866 CC(C=O)N1CCC(C)(O)C1 Amb30036912 [1,0,0,1,0,0|1,0,0]=3 615 B11R1.866 CC(CBr)C1CCC(C)(C)C1 Amb33388014 [1,0,0,1,0,0|2,0,0]=4 616 B11R1.866 CC(CBr)C1COC(C)(C)O1 Amb33053624 [1,0,0,1,0,0|2,0,0]=4 617 B11R1.866 CC(CN)C1CCC(C)(C)C1 Amb24743245 [1,0,0,1,0,0|2,0,0]=4 618 B11R1.866 CC(CN)C1COC(C)(C)O1 Amb33053362 [1,0,0,1,0,0|2,0,0]=4 619 B11R1.866 CC(CO)N1CCC(C)(O)C1 Amb28137714 [1,0,0,1,0,0|1,0,1]=4 620 B11R1.866 C[C@@H](CO)C1COC(C)(C)O1 Amb28194216 [1,0,0,1,0,0|1,0,1]=4 621 B11R1.866 C\C=C(/C)C1CCC(C)(C)O1 Amb22353560 [1,0,0,1,0,0|1,0,1]=4 622 B11R1.866 C\C=C(\C)C1CCC(C)(C)O1 Amb27843791 [1,0,0,1,0,0|1,0,1]=4 623 B11R1.897 CC(CBr)CN1CC(C)(O)C1 Amb28069201 [1,0,0,1,0,0|2,0,0]=4 624 B11R1.897 CC(CS)CN1CC(C)(O)C1 Amb27420680 [1,0,0,1,0,0|1,1,0]=4 625 B11R1.950 CC1(C)CCCC(CN)CC1 Amb25807666 [1,0,0,1,0,0|2,0,0]=4 626 B11R1.950 CC1(C)CCCC(CN)CC1 Amb33620952 [1,0,0,1,0,0|2,0,0]=4 627 B11R1.950 CC1(C)CCCC(CO)CC1 Amb28256094 [1,0,0,1,0,0|1,0,1]=4 628 B11R1.950 CC1(C)OCC[C@@H](C=O)CO1 Amb26844350 [1,0,0,1,0,0|1,0,0]=3 629 B11R1.950 CC1(C)OCC[C@H](C=O)CO1 Amb25039955 [1,0,0,1,0,0|1,0,0]=3 630 B11R1.1072 C#CC1(C)CCCC(C)(C)O1 Amb533692 [1,0,0,1,0,0|0,0,2]=4 631 B11R1.1072 C=CC1(C)CCCC(C)(C)O1 Amb22732783 [1,0,0,1,0,0|0,0,1]=3 632 B11R1.1072 CC1(C)CCCC(C)(C#N)O1 Amb808835 [1,0,0,1,0,0|1,0,1]=4 633 B11R1.1072 CC1(C)CCCC(C)(C=O)C1 Amb27230555 [1,0,0,1,0,0|1,0,0]=3 634 B11R1.1072 CC1(C)CCCC(C)(CN)C1 Amb22728208 [1,0,0,1,0,0|2,0,0]=4 635 B11R1.1072 CC1(C)CCCC(C)(CN)O1 Amb23560234 [1,0,0,1,0,0|1,0,0]=3 636 B11R1.1072 CC1(C)CCCC(C)(CO)O1 Amb23560224 [1,0,0,1,0,0|0,0,1]=3 637 B11R1.1072 CCC1(C)CCCC(C)(C)O1 Amb17843506 [1,0,0,1,0,0|0,0,1]=3 638 B11R1.1072 CCC1(C)CCCC(C)(N)C1 Amb27233032 [1,0,0,1,0,0|1,0,1]=4 639 B11R1.42 CC1(C)CCC(O)C(C=O)C1 Amb27816362 [0,0,0,1,1,0|2,0,0]=4 640 B11R1.42 CC1(C)CC[C@@H](F)[C@@H](C=O)O1 Amb28287680 [0,0,0,1,1,0|1,0,0]=3 641 B11R1.82 CC1(C)CCC(CC=O)CC1 Amb28043606 [0,0,0,1,1,0|1,0,0]=3 642 B11R1.82 CC1(C)CCC(NC=O)CC1 Amb28457928 [0,0,0,1,1,0|2,0,0]=4 643 B11R1.82 CC1(C)CCN(CC=O)CC1 Amb18177422 [0,0,0,1,1,0|2,0,0]=4 644 B11R1.82 CC1(C)COC(CC=O)CO1 Amb27212528 [0,0,0,1,1,0|1,0,0]=3 645 B11R1.82 CC1(O)CCN(CC=O)CC1 Amb27590634 [0,0,0,1,1,0|1,0,0]=3 646 B11R1.82 CNCC1CCC(C)(O)CC1 Amb27445248 [0,0,0,1,1,0|2,0,0]=4 647 B11R1.82 O=CCC1CCC(F)(F)CC1 Amb24484848 [0,0,0,1,1,0|2,0,0]=4 648 B11R1.122 CC(C)(C)C1CC(CC=O)C1 Amb27638917 [0,0,0,1,1,0|1,0,0]=3 649 B11R1.155 CC1CCCC(C(C)(C)O)C1 Amb28437138 [0,0,0,1,1,0|1,0,1]=4 650 B11R1.338 CCCC(C)CCC1(O)CC1 Amb33320821 [0,0,0,1,1,0|1,0,1]=4 651 B11R1.512 CC1CCC(C)(C)CC(=O)N1 Amb32679592 [0,0,0,1,1,0|2,0,0]=4 652 B11R1.646 CC1CC(O)C(C(C)(C)O)C1 Amb27208189 [0,0,0,1,1,0|0,0,2]=4 653 B11R1.789 CC1(C)CCC(C)(CC#N)O1 Amb27857075 [0,0,0,1,1,0|1,0,1]=4 654 B11R1.1417 CC(CCC(C)(C)O)C1CC1 Amb32728742 [0,0,0,1,1,0|1,0,1]=4 655 B13R1.375 CC(C)(C)C1CC=CC(CC=O)C1 Amb28324438 [0,0,0,1,0,1|1,0,1]=4 656 B13R1.375 CC(C)(C)[C@@H]1OCC[C@H](CC=O)O1 Amb28285824 [0,0,0,1,0,1|2,0,0]=4 657 B13R1.838 CC1CCCC(NCC(C)(C)O)C1 Amb18969676 [0,0,0,1,0,1|1,0,1]=4 658 B13R1.838 CC1CCCN(CCC(C)(C)O)C1 Amb27765587 [0,0,0,1,0,1|1,0,1]=4 659 B13R1.838 CC1CNCC(NCC(C)(C)O)C1 Amb35698587 [0,0,0,1,0,1|2,0,0]=4 660 B13R1.1517 CC(CC#N)N1CCCC(C)(O)C1 Amb28400761 [0,0,0,1,0,1|1,0,1]=4 661 B13R1.1517 CC(CC=O)C1CCOC(C)(C)O1 Amb27861176 [0,0,0,1,0,1|0,0,0]=2 662 B13R1.1517 CC(OC=O)C1CCCC(C)(C)C1 Amb22730869 [0,0,0,1,0,1|2,0,0]=4 663 B13R1.1517 CCCC(C)N1CCCC(C)(O)C1 Amb28044322 [0,0,0,1,0,1|1,0,1]=4 664 B13R1.1517 COCC(C)C1CNCC(C)(C)O1 Amb27954914 [0,0,0,1,0,1|2,0,0]=4 665 B13R1.3486 CC(C)(C)CCN1CC(O)CC1=O Amb27870411 [0,0,0,1,0,1|2,0,0]=4 666 B13R1.3486 CC(C)(F)CCN1CC(N)CC1=O Amb29881831 [0,0,0,1,0,1|2,0,0]=4 667 B13R1.3486 CC(C)(F)CCN1CC(O)CC1=O Amb35611750 [0,0,0,1,0,1|2,0,0]=4 668 B13R1.3486 CC1CC(=O)N(CCC(C)(C)O)C1 Amb27171572 [0,0,0,1,0,1|0,0,0]=2 669 B13R1.3486 CC1CC(C)N(CCC(C)(C)O)C1 Amb27601976 [0,0,0,1,0,1|1,0,1]=4 670 B13R1.3782 CC1CCCN(CC(C)(C)O)CC1 Amb27869861 [0,0,0,1,0,1|1,0,1]=4 671 B13R1.3791 CC1CC(=O)N(C(C)(C)C)CCN1 Amb26081181 [0,0,0,1,0,1|2,0,0]=4 672 B13R1.50 CC1CCC(C(C)(C)O)OC1CO Amb27857899 [0,1,0,1,0,0|0,0,2]=4 673 B13R1.50 C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]1CO Amb27472750 [0,1,0,1,0,0|0,0,2]=4 674 B13R1.140 CC(C)(C)C1CCC(CC=O)CC1 Amb27625669 [0,1,0,1,0,0|1,0,0]=3 675 B13R1.3550 CC1CCC(Cl)(C(C)(C)O)C(=O)C1 Amb27608326 [0,1,0,1,0,0|0,0,0]=2 676 B13R1.3550 CC1CCC(O)(C(C)(C)O)C(=O)C1 Amb25221954 [0,1,0,1,0,0|0,0,0]=2 677 B13R1.3550 C[C@@H]1CC[C@@](O)(C(C)(C)O)[C@@H](O)C1 Amb27452478 [0,1,0,1,0,0|0,0,2]=4 678 B13R1.7326 CC(C)(O)[C@@H]1CC[C@](C)(CC=O)O1 Amb27818224 [0,1,0,1,0,0|0,0,0]=2 679 B13R1.7326 CC(C)(O)[C@@H]1CC[C@](C)(CCO)O1 Amb27971012 [0,1,0,1,0,0|0,0,2]=4 680 B13R1.7326 CC(C)(O)[C@H]1CC[C@](C)(CCO)O1 Amb28319942 [0,1,0,1,0,0|0,0,2]=4 681 B13R1.7326 CC1(CC=O)CCC(C(C)(C)O)O1 Amb27948744 [0,1,0,1,0,0|0,0,0]=2 682 B13R1.584 CC(C)(C)C1CCC(CC(=O)O)O1 Amb33100700 [0,1,0,1,0,0|2,0,0]=4 683 B13R1.584 CC(C)(C)C1CCN(CC(N)=O)C1 Amb27872850 [0,1,0,1,0,0|2,0,0]=4 684 B13R1.584 CC(C)(C)N1CCC(CC(=O)O)C1 Amb25339962 [0,1,0,1,0,0|2,0,0]=4 685 B13R1.1018 CC(C)(C)OC1CC(CC(=O)O)C1 Amb32758767 [0,1,0,1,0,0|2,0,0]=4 686 B13R1.3421 CC1CC(=O)CC(CC(C)(C)C)N1 Amb18823082 [0,1,0,1,0,0|2,0,0]=4 687 B13R1.7463 CC(=O)CC(C)N1CCC(C)(C)C1 Amb27955738 [0,1,0,1,0,0|2,0,0]=4 688 B13R1.7463 CC(=O)CC(O)C1COC(C)(C)O1 Amb27169833 [0,1,0,1,0,0|2,0,0]=4 689 B13R1.7463 CC(=O)C[C@H](O)[C@H]1COC(C)(C)O1 Amb28246399 [0,1,0,1,0,0|2,0,0]=4 690 B13R1.7463 CC(CC(=O)O)C1CCC(C)(C)C1 Amb33360801 [0,1,0,1,0,0|1,0,0]=3 691 B13R1.7463 CC(CC(=O)O)C1COC(C)(C)O1 Amb33053359 [0,1,0,1,0,0|1,0,0]=3 692 B13R1.7463 CC(CC(=O)O)N1CCC(C)(N)C1 Amb29869226 [0,1,0,1,0,0|2,0,0]=4 693 B13R1.7463 CC(CC(N)=O)N1CCC(C)(O)C1 Amb27388384 [0,1,0,1,0,0|1,0,0]=3 694 B13R1.7463 CC(CC(N)=S)N1CCC(C)(O)C1 Amb28068503 [0,1,0,1,0,0|1,1,0]=4 695 B13R1.7463 CC1(C)CCC(C(N)CC(=O)O)C1 Amb33360811 [0,1,0,1,0,0|2,0,0]=4 696 B13R1.7463 CC1(C)CCC(C(O)CC(=O)O)C1 Amb33360495 [0,1,0,1,0,0|2,0,0]=4 697 B13R1.7463 CC1(C)CCC([C@@H](O)CC(=O)O)C1 Amb33360494 [0,1,0,1,0,0|2,0,0]=4 698 B13R1.7463 CC1(C)CCC([C@H](O)CC(=O)O)C1 Amb33360493 [0,1,0,1,0,0|2,0,0]=4 699 B13R1.7463 CC1(C)OCC(C(N)CC(=O)O)O1 Amb25122612 [0,1,0,1,0,0|2,0,0]=4 700 B13R1.7463 CC1(C)OCC(C(O)CC(=O)O)O1 Amb26422263 [0,1,0,1,0,0|2,0,0]=4 701 B13R1.7463 CC1(C)OCC([C@@H](O)CC(=O)O)O1 Amb33053431 [0,1,0,1,0,0|2,0,0]=4 702 B13R1.7463 CC1(C)OCC([C@H](O)CC(=O)O)O1 Amb33053434 [0,1,0,1,0,0|2,0,0]=4 703 B13R1.7463 CC1(C)OC[C@H]([C@@H](N)CC(=O)O)O1 Amb28245337 [0,1,0,1,0,0|2,0,0]=4 704 B13R1.7593 CC1CCC(C(C)(C)O)=C1C(=O)O Amb27657757 [0,1,0,1,0,0|0,0,2]=4 705 B13R1.8833 C=C(Cl)CN1CCCC(C)(O)CC1 Amb27873724 [0,1,0,1,0,0|2,0,0]=4 706 B13R1.8833 CC(=O)NC1CCCC(C)(C)CC1 Amb35602710 [0,1,0,1,0,0|2,0,0]=4 707 B13R1.8833 CC1(C)CCCC(CC(=O)O)CC1 Amb25114561 [0,1,0,1,0,0|1,0,0]=3 708 B13R1.8833 CC1(C)CCCC(NC(=O)Cl)CC1 Amb30038936 [0,1,0,1,0,0|2,0,0]=4 709 B13R1.8833 CC1(C)CCCC(NC(N)=O)CC1 Amb35601714 [0,1,0,1,0,0|2,0,0]=4 710 B13R1.8833 C[Si]1(C)CCCC(CC(=O)O)CC1 Amb29837990 [0,1,0,1,0,0|1,1,0]=4 711 B13R1.8841 CC(=O)CC1(O)CCCC(C)(C)C1 Amb32943776 [0,1,0,1,0,0|2,0,0]=4 712 B13R1.8841 CC1(C)CCCC(C)(CC(=O)O)C1 Amb28325672 [0,1,0,1,0,0|1,0,0]=3 713 B13R1.8841 CC1(C)CCCC(C)(CC(=O)O)O1 Amb27392306 [0,1,0,1,0,0|0,0,0]=2 714 B13R1.8841 CC1(C)CCCC(N)(CC(N)=O)C1 Amb33254480 [0,1,0,1,0,0|2,0,0]=4 715 B13R1.8841 CC1(C)CCCC(O)(CC(=O)O)C1 Amb32696742 [0,1,0,1,0,0|2,0,0]=4 716 B13R1.8841 CC1(C)CCOC(C)(CC(=O)O)C1 Amb27831394 [0,1,0,1,0,0|2,0,0]=4 717 B13R1.843 CC1CCCC(N)(CC(C)(C)O)C1 Amb35615113 [0,1,0,1,0,0|1,0,1]=4 718 B13R1.7492 CC1CC(C)(CC(C)(C)C)C(=O)N1 Amb28121987 [0,1,0,1,0,0|2,0,0]=4 719 B13R1.11945 CC(C)(O)[C@@H]1[C@H](O)C[C@]1(C)CCO Amb27422661 [0,1,0,1,0,0|0,0,2]=4 720 B13R1.535 CC(C=O)N1CCC(C(C)(C)C)C1 Amb35647306 [0,1,0,1,0,0|2,0,0]=4 721 B13R1.884 C[C@H]1CC[C@H](C(C)(C)O)[C@@H](O)[C@@H]1O Amb27879552 [0,1,0,1,0,0|0,0,2]=4 722 B13R1.2638 CC1(C)OC[C@H]([C@H](O)[C@@H](O)C=O)O1 Amb28428547 [0,1,0,1,0,0|2,0,0]=4 723 B13R1.2638 C[C@H](C=O)[C@H](O)[C@H]1COC(C)(C)O1 Amb28350078 [0,1,0,1,0,0|2,0,0]=4 724 B13R1.4648 CC(C=O)N1CCCC(C)(C)CC1 Amb35647305 [0,1,0,1,0,0|2,0,0]=4 725 B13R1.4648 CC(C=O)N1CCCC(C)(O)CC1 Amb35647411 [0,1,0,1,0,0|1,0,0]=3 726 B13R1.4648 CN(C=O)C1CCCC(C)(C)CC1 Amb35601227 [0,1,0,1,0,0|2,0,0]=4 727 B13R1.4671 CC1(C)CCC[C@](C)([C@@H](O)CO)O1 Amb28345014 [0,1,0,1,0,0|0,0,2]=4 728 B13R1.53 CNC1CC(C)CCC1C(C)(C)O Amb27415833 [0,1,0,1,0,0|1,0,1]=4 729 B13R1.496 CC(C)(C)N1CCC(CNC=O)C1 Amb29865675 [0,1,0,1,0,0|2,0,0]=4 730 B13R1.804 CC1CCN(C(C)(C)C)C(=O)CN1 Amb25869296 [0,1,0,1,0,0|2,0,0]=4 731 B13R1.894 CC1CCC(=O)C(CC(C)(C)O)C1 Amb27630230 [0,1,0,1,0,0|0,0,0]=2 732 B13R1.3523 CC(C)(O)CNCC1CC=CCC1 Amb19045272 [0,1,0,1,0,0|2,0,0]=4 733 B13R1.3530 CC1CCC(=O)N1CCC(C)(C)O Amb27234345 [0,1,0,1,0,0|1,0,0]=3 734 B13R1.3530 CC1NCC(=O)N1CCC(C)(C)F Amb35586570 [0,1,0,1,0,0|2,0,0]=4 735 B13R1.3530 CC1OCC(=O)C1CCC(C)(C)C Amb35683051 [0,1,0,1,0,0|1,0,0]=3 736 B13R1.3530 CC1OCC(=O)C1CCC(C)(C)O Amb35683054 [0,1,0,1,0,0|0,0,0]=2 737 B13R1.3530 CC1OCC(O)C1CCC(C)(C)O Amb29864022 [0,1,0,1,0,0|0,0,2]=4 738 B13R1.6422 CC1(C)CCCC(C)(\C=C\C=O)O1 Amb24553609 [0,1,0,1,0,0|0,0,1]=3 739 B13R1.3412 CC(C)(O)[C@H]1CC[C@@](C)(O)C[C@@H]1O Amb27786958 [0,1,0,1,0,0|0,0,2]=4 740 B13R1.3412 CC1(C)CCC(C(C)(C)O)C(O)C1 Amb27218573 [0,1,0,1,0,0|0,0,2]=4 741 B13R1.3412 CC1(C)CC[C@@H](C(C)(C)O)[C@H](O)C1 Amb27197611 [0,1,0,1,0,0|0,0,2]=4 742 B13R1.7983 CC(C)(O)CC1CCCC(C)(C)C1 Amb32724973 [0,1,0,1,0,0|1,0,1]=4 743 B13R1.9305 CC1(C)CCCC(O)(CC=O)CC1 Amb28202452 [0,1,0,1,0,0|1,0,0]=3 744 B13R1.877 CC1CC(O)C(C(C)(C)O)CC1O Amb27757250 [0,1,0,1,0,0|0,0,2]=4 745 B13R1.877 C[C@@H]1C[C@H](O)[C@@H](C(C)(C)O)C[C@H]1O Amb27852428 [0,1,0,1,0,0|0,0,2]=4 746 B13R1.877 C[C@H]1C[C@@H](O)[C@H](C(C)(C)O)C[C@@H]1O Amb27423197 [0,1,0,1,0,0|0,0,2]=4 747 B13R1.1512 CC(CCO)C1CCC(C)(O)CC1 Amb27972431 [0,1,0,1,0,0|0,0,2]=4 748 B13R1.3468 CC1CC(=O)N(CC(C)(C)O)C1=O Amb27400733 [0,1,0,1,0,0|1,0,1]=4 749 B13R1.3562 CC1CCCC1(N)CCC(C)(C)O Amb29883695 [0,1,0,1,0,0|1,0,1]=4 750 B13R1.3842 CC(C)(O)CNC(=O)C1CC(=O)C1 Amb27981451 [0,1,0,1,0,0|1,0,1]=4 751 B13R1.96 CC(C)(C)N1CCC(CN)CC1=O Amb25848333 [0,1,0,1,0,0|2,0,0]=4 752 B13R1.96 CC(C)(O)C1CCC(CO)CC1O Amb27456532 [0,1,0,1,0,0|0,0,2]=4 753 B13R1.96 CNC1CCN(C(C)(C)C)C(=O)C1 Amb26051077 [0,1,0,1,0,0|2,0,0]=4 754 B13R1.3021 CC(C)(C)CN1CC(CO)CC1=O Amb28188449 [0,1,0,1,0,0|2,0,0]=4 755 B13R1.252 CC(C)(CO)CCCC1CCCC1 Amb33380232 [0,1,0,1,0,0|1,0,1]=4 756 B13R1.3246 CC1=C(C=O)C(C(C)(O)CCl)CC1 Amb27790635 [0,1,0,1,0,0|0,0,2]=4 757 B13R1.4126 CC1CC(=O)N(CC(C)(C)C#N)C1 Amb35705691 [0,1,0,1,0,0|2,0,0]=4 758 B13R1.4126 CC1CC(=O)N(CC(C)(C)CN)C1 Amb35689255 [0,1,0,1,0,0|2,0,0]=4 759 B13R1.4126 CC1CC(=O)N(CC(C)(C)CO)C1 Amb29862476 [0,1,0,1,0,0|1,0,0]=3 760 B13R1.4126 CCC(C)(O)CN1CC(O)CC1=O Amb27249098 [0,1,0,1,0,0|2,0,0]=4 761 B13R1.4126 COC(C)(C)CN1CC(N)CC1=O Amb28076626 [0,1,0,1,0,0|2,0,0]=4 762 B13R1.4183 CC1CCC(C(C)(C)C#N)C(=O)C1 Amb18648279 [0,1,0,1,0,0|1,0,0]=3 763 B13R1.4183 CC1CCC(C(C)(C)C=O)C(=O)C1 Amb27169391 [0,1,0,1,0,0|0,0,1]=3 764 B13R1.4183 COC(C)(C)C1CCC(C)CC1O Amb27661161 [0,1,0,1,0,0|0,0,2]=4 765 B13R1.4183 COC(C)(C)[C@@H]1CCC(C)C[C@H]1O Amb28208220 [0,1,0,1,0,0|0,0,2]=4 766 B13R1.4183 COC(C)(C)[C@@H]1CC[C@@H](C)C[C@@H]1O Amb27220205 [0,1,0,1,0,0|0,0,2]=4 767 B13R1.4183 COC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O Amb27486576 [0,1,0,1,0,0|0,0,2]=4 768 B13R1.4183 CSC(C)(C)[C@H]1CC[C@H](C)CC1=O Amb25175927 [0,1,0,1,0,0|0,1,0]=3 769 B13R1.4183 C[C@@H]1CC[C@@H](C(C)(O)CO)[C@H](O)C1 Amb27420327 [0,1,0,1,0,0|0,0,2]=4 770 B13R1.8211 CCCC1CCCC(O)(CN)CC1 Amb27163372 [0,1,0,1,0,0|1,0,1]=4 771 B13R2.3020 CC1CCOC(C2OC2(C)C)C1 Amb26558106 [0,0,0,2,0,0|0,0,2]=4 772 B13R2.3020 C[C@H]1CCOC(C2OC2(C)C)C1 Amb26358113 [0,0,0,2,0,0|0,0,2]=4 773 B13R2.8090 CC(C)(O)CC1CCC2CC2C1 Amb30019131 [0,0,0,2,0,0|1,0,1]=4 774 B13R2.20708 CC(C)(O)CC1CC2C=CC1C2 Amb33374670 [0,0,0,2,0,0|1,0,1]=4 775 B13R2.20708 CC(C)(O)CC1CC2CCC1C2 Amb26398544 [0,0,0,2,0,0|1,0,1]=4 776 B13R2.3125 CC1=CC(=O)C(C2(C)CO2)CC1 Amb27176207 [0,0,0,2,0,0|0,0,2]=4 777 B13R2.3125 CC1=CC(=O)[C@@H]([C@@]2(C)CO2)CC1 Amb27802731 [0,0,0,2,0,0|0,0,2]=4 778 B13R2.3125 CC1=CC(=O)[C@H](C2(C)CO2)CC1 Amb27409550 [0,0,0,2,0,0|0,0,2]=4 779 B13R2.3125 CC1CCC(C2(C)CO2)C(=O)C1 Amb27175995 [0,0,0,2,0,0|0,0,0]=2 780 B13R2.3125 C[C@@H]1CCC(C2(C)CO2)[C@H](O)C1 Amb28350284 [0,0,0,2,0,0|0,0,2]=4 781 B13R2.3125 C[C@@H]1CC[C@@H](C2(C)CO2)[C@H](O)C1 Amb27196775 [0,0,0,2,0,0|0,0,2]=4 782 B13R2.5070 CC1CCC2(CC2(C)C)C(=O)C1 Amb27802727 [0,0,0,2,0,0|1,0,0]=3 783 B13R2.5070 CC1CCC2(OC2(C)C)C(=O)C1 Amb25799476 [0,0,0,2,0,0|0,0,0]=2 784 B13R2.5070 CC1CC[C@@]2(CC2(C)C)C(=O)C1 Amb28253914 [0,0,0,2,0,0|1,0,0]=3 785 B13R2.5070 C[C@@H]1CCC2(OC2(C)C)C(=O)C1 Amb17619652 [0,0,0,2,0,0|0,0,0]=2 786 B13R2.5070 C[C@@H]1CC[C@]2(OC2(C)C)[C@@H](O)C1 Amb28455270 [0,0,0,2,0,0|0,0,2]=4 787 B13R2.5070 C[C@H]1CCC2(OC2(C)C)C(=O)C1 Amb27230905 [0,0,0,2,0,0|0,0,0]=2 788 B13R2.5070 C[C@H]1CC[C@@]2(OC2(C)C)C(=O)C1 Amb27973043 [0,0,0,2,0,0|0,0,0]=2 789 B13R2.12702 CC1(C)CC2(O)CCC1C(=O)C2 Amb28324358 [0,0,0,2,0,0|2,0,0]=4 790 B13R2.12702 CC1(C)C[C@@]2(C)CC[C@@H]1C(=O)C2 Amb27210533 [0,0,0,2,0,0|1,0,0]=3 791 B13R2.12702 CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](Cl)C2 Amb28245345 [0,0,0,2,0,0|1,0,1]=4 792 B13R2.12702 CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](O)C2 Amb28318702 [0,0,0,2,0,0|0,0,2]=4 793 B13R2.12702 CC1(C)O[C@]2(C)CC[C@H]1C(=O)C2 Amb27854289 [0,0,0,2,0,0|0,0,0]=2 794 B13R2.12702 CC12CCC(C(=O)C1)C(C)(O)C2 Amb28199956 [0,0,0,2,0,0|0,0,0]=2 795 B13R2.12402 O=CCC1CC2(C1)CC(F)(F)C2 Amb26560680 [0,0,0,2,0,0|2,0,0]=4 796 B13R2.4996 CC(C)(C)[C@@H]1C[C@@H]2CC(=O)[C@H]1C2 Amb27434190 [0,0,0,2,0,0|1,0,0]=3 797 B13R2.4996 CC(C)(C)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 Amb27427860 [0,0,0,2,0,0|1,0,0]=3 798 B13R2.1416 CC1(C)OC[C@H]([C@@H]2C[C@H]2C=O)O1 Amb27194398 [0,0,0,2,0,0|1,0,0]=3 799 B13R2.1416 CC1(C)OC[C@H]([C@H]2O[C@@H]2C=O)O1 Amb27423074 [0,0,0,2,0,0|2,0,0]=4 800 B13R2.1416 CC1(C)OC[C@H]([C@H]2O[C@H]2C=O)O1 Amb27640725 [0,0,0,2,0,0|2,0,0]=4 801 B13R2.11309 CC(C)(N)CN1CC2CC2C1=O Amb27851535 [0,0,0,2,0,0|2,0,0]=4 802 B13R2.3748 CC1(C)CC(=O)C2C(O)CCC21 Amb27176027 [0,0,0,2,0,0|2,0,0]=4 803 B13R2.3748 CC1(C)CC(=O)[C@@H]2[C@@H](O)CC[C@@H]21 Amb28141303 [0,0,0,2,0,0|2,0,0]=4 804 B13R2.3748 C[C@@H]1CCC2C1C(=O)CC2(C)C Amb28461170 [0,0,0,2,0,0|1,0,0]=3 805 B13R2.3748 C[C@@H]1CC[C@@H]2[C@H]1C(=O)CC2(C)C Amb6360012 [0,0,0,2,0,0|1,0,0]=3 806 B13R2.3748 C[C@@H]1CC[C@@H]2[C@H]1C(=O)OC2(C)C Amb6360013 [0,0,0,2,0,0|0,0,0]=2 807 B13R2.4031 CC1(C)OC2C(=O)CC(O)C2O1 Amb27212457 [0,0,0,2,0,0|2,0,0]=4 808 B13R2.4031 CC1(C)O[C@H]2C(=O)CC(O)[C@H]2O1 Amb28052598 [0,0,0,2,0,0|2,0,0]=4 809 B13R2.4031 CC1CC(=O)C2OC(C)(C)OC12 Amb27256607 [0,0,0,2,0,0|1,0,0]=3 810 B13R2.4031 C[C@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]12 Amb28200003 [0,0,0,2,0,0|1,0,0]=3 811 B13R2.3205 OC1(CCCC2CCCC2)CC1 Amb33378002 [0,0,0,2,0,0|1,0,1]=4 812 B13R2.10514 CC1(O)CN(CC2CC=CC2)C1 Amb29885865 [0,0,0,2,0,0|2,0,0]=4 813 B13R2.5173 CC1CCC2C(C(=O)C1)C2(C)C Amb27267137 [0,0,0,2,0,0|1,0,0]=3 814 B13R2.12095 CC12CCC1C(C)(C)NC(=O)C2 Amb27173792 [0,0,0,2,0,0|1,0,0]=3 815 B13R2.12851 CC1(C)OCC[C@]2(C)CC(=O)[C@H]12 Amb28351538 [0,0,0,2,0,0|2,0,0]=4 816 B13R2.22572 CC12CCCC(C)(CC(=O)C1)N2 Amb35788370 [0,0,0,2,0,0|1,0,0]=3 817 B13R2.22572 CC12CCCC(C)(CC(=O)C1)N2 Amb35789154 [0,0,0,2,0,0|1,0,0]=3 818 B13R2.22572 CC12CCCC(O)(C1)NC(=O)N2 Amb27947442 [0,0,0,2,0,0|2,0,0]=4 819 B13R2.23402 CC(CCCC1(O)CC1)C2CC2 Amb32729540 [0,0,0,2,0,0|1,0,1]=4 820 B13R2.2743 CC1CCC2C(C1C=O)C2(C)C Amb27486153 [0,0,0,2,0,0|1,0,0]=3 821 B13R2.2743 C[C@@H]1CC[C@H]2[C@@H](C1C=O)C2(C)C Amb27268384 [0,0,0,2,0,0|1,0,0]=3 822 B9R0.48 C=CCC(C)CNC(C)C Amb28322205 [1,0,0,0,1,0|2,0,0]=4 823 B9R0.48 C=CCC(C)NC[C@H](C)O Amb27877205 [1,0,0,0,1,0|2,0,0]=4 824 B9R0.48 CC(=O)CCC(C)CC=O Amb28199726 [1,0,0,0,1,0|0,0,2]=4 825 B9R0.48 CC(=O)CC[C@H](C)CC=O Amb27255456 [1,0,0,0,1,0|0,0,2]=4 826 B9R0.48 CC(C)=CCC(C)CC=O Amb18643637 [1,0,0,0,1,0|0,0,2]=4 827 B9R0.48 CC(C)CCC(C)CNN Amb27666330 [1,0,0,0,1,0|2,0,0]=4 828 B9R0.48 CC(C)CCC(C)N=C=O Amb27870889 [1,0,0,0,1,0|1,0,1]=4 829 B9R0.48 CC(CC=O)CCC(=O)O Amb27439382 [1,0,0,0,1,0|1,0,1]=4 830 B9R0.48 CC(O)CCC(C)OC=O Amb27614301 [1,0,0,0,1,0|1,0,0]=3 831 B9R0.48 CCCC(C)CCC(C)O Amb26868390 [1,0,0,0,1,0|1,0,1]=4 832 B9R0.48 CCCC(C)CC[C@@H](C)O Amb33321144 [1,0,0,0,1,0|1,0,1]=4 833 B9R0.48 CCCC(C)CC[C@H](C)O Amb33321145 [1,0,0,0,1,0|1,0,1]=4 834 B9R0.48 C\C(=C/C=O)CCC(C)C Amb27268552 [1,0,0,0,1,0|0,0,2]=4 835 B9R0.48 C\C(=C\CC(C)C)CC=O Amb28247159 [1,0,0,0,1,0|0,0,2]=4 836 B9R0.21 C=CC(C)OCC(C)(C)O Amb25354935 [1,0,0,0,1,0|1,0,1]=4 837 B9R0.21 CC(C)(C)CCC(O)C=O Amb28454335 [1,0,0,0,1,0|2,0,0]=4 838 B9R0.21 CC(C)(O)CCC(O)CO Amb27751923 [1,0,0,0,1,0|1,0,1]=4 839 B9R0.21 CC(C)(O)CC[C@H](O)CO Amb27770512 [1,0,0,0,1,0|1,0,1]=4 840 B9R0.21 CC(C=O)COC(C)(C)C Amb18124687 [1,0,0,0,1,0|2,0,0]=4 841 B9R0.21 CC(CBr)CCC(C)(C)C Amb25701613 [1,0,0,0,1,0|2,0,0]=4 842 B9R0.21 CC(CCl)CCC(C)(C)C Amb27807260 [1,0,0,0,1,0|2,0,0]=4 843 B9R0.21 CC(CN)CCC(C)(C)C Amb19023860 [1,0,0,0,1,0|2,0,0]=4 844 B9R0.21 CC(CN)SCC(C)(C)O Amb27607615 [1,0,0,0,1,0|2,0,0]=4 845 B9R0.21 CC(CO)CCC(C)(C)C Amb25075048 [1,0,0,0,1,0|1,0,1]=4 846 B9R0.21 CC(CO)NCC(C)(C)O Amb18304057 [1,0,0,0,1,0|1,0,1]=4 847 B9R0.21 CC(CO)SCC(C)(C)O Amb27788167 [1,0,0,0,1,0|1,0,1]=4 848 B9R0.21 CCC(C)CCC(C)(C)N Amb33318486 [1,0,0,0,1,0|1,0,1]=4 849 B9R0.21 CCC(C)NCC(C)(C)O Amb17138404 [1,0,0,0,1,0|1,0,1]=4 850 B9R0.21 CCC(O)CCC(C)(C)O Amb27650906 [1,0,0,0,1,0|1,0,1]=4 851 B9R0.21 CC[C@@H](N)CCC(C)(C)O Amb27810874 [1,0,0,0,1,0|1,0,1]=4 852 B9R0.21 CC[C@@H](O)CCC(C)(C)O Amb27397117 [1,0,0,0,1,0|1,0,1]=4 853 B9R0.21 CN(C=O)CCC(C)(C)C Amb27468980 [1,0,0,0,1,0|2,0,0]=4 854 B9R0.21 C[C@@H](C=O)COC(C)(C)C Amb28130425 [1,0,0,0,1,0|2,0,0]=4 855 B9R0.21 C[C@@H](CN)CCC(C)(C)C Amb33744685 [1,0,0,0,1,0|2,0,0]=4 856 B9R0.21 C[C@@H](CO)CCC(C)(C)C Amb33746882 [1,0,0,0,1,0|1,0,1]=4 857 B9R0.21 C[C@H](CN)CCC(C)(C)C Amb33743101 [1,0,0,0,1,0|2,0,0]=4 858 B9R0.21 C[C@H](CO)CCC(C)(C)C Amb33730477 [1,0,0,0,1,0|1,0,1]=4 859 B9R0.44 CC(CC(C)(C)O)NC=O Amb28200619 [0,0,0,0,2,0|1,0,0]=3 860 B9R0.44 CC(CC=O)CC(C)(C)C Amb3939525 [0,0,0,0,2,0|1,0,0]=3 861 B9R0.44 CC(CCO)CC(C)(C)O Amb27218554 [0,0,0,0,2,0|0,0,2]=4 862 B9R0.44 CCCC(C)CC(C)(C)O Amb27633139 [0,0,0,0,2,0|1,0,1]=4 863 B9R0.44 C[C@H](CC=O)CC(C)(C)C Amb27793117 [0,0,0,0,2,0|1,0,0]=3 864 B9R0.44 C[C@H](CCO)CC(C)(C)O Amb27762790 [0,0,0,0,2,0|0,0,2]=4