0 B13R1.133 CC(=O)C(=O)NC1CCC(O)CC1 Amb27457559 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.133 CC(=O)C(C)C[C@H]1C=C[C@@H](O)CO1 Amb27805435 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.133 CC1CCC(CC(=O)C(=O)O)CC1 Amb27180752 [0,0,0,0,0,0|1,0,2]=3 3 B13R1.133 CC1CCC(NC(=O)C(=O)O)CO1 Amb35678937 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.133 CC1CCC(NC(=O)C(=O)O)CS1 Amb30016571 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.133 CN1CCC(CC(=O)C(=O)O)CC1 Amb33270720 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.133 NC(CC1CCC(O)CC1)C(=O)O Amb24391503 [0,0,0,0,0,0|1,0,3]=4 7 B13R1.133 N[C@@H](CC1CCC(O)CC1)C(=O)O Amb25240639 [0,0,0,0,0,0|1,0,3]=4 8 B13R1.133 N[C@@H](C[C@@H]1C=C[C@H](O)CC1)C(=O)O Amb27849008 [0,0,0,0,0,0|1,0,1]=2 9 B13R1.133 N[C@@H](C[C@H]1C=C[C@H](O)CC1)C(=O)O Amb27622145 [0,0,0,0,0,0|1,0,1]=2 10 B13R1.133 N[C@H](CC1CCC(O)CC1)C(=O)O Amb33308564 [0,0,0,0,0,0|1,0,3]=4 11 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 Amb1124591 [0,0,0,0,0,0|0,0,4]=4 12 B13R1.133 O=C(O)C(=O)\C=C1\C=C[C@H](O)CC1 Amb27194407 [0,0,0,0,0,0|0,0,2]=2 13 B12R1.21 CC(=O)ONC1C=CC(O)CC1 Amb28249081 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.43 C=C(CC1CCCCC1)C(=O)O Amb27984845 [1,0,0,0,0,0|1,0,2]=4 15 B12R1.43 C=C(CC1CCCNC1)C(=O)O Amb28322836 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.43 CC(=O)C(=O)CC1CCCCC1 Amb24434603 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.43 CC(=O)C(=O)CC1CCCCN1 Amb27408275 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.43 CC(C)C(=O)C[C@@H]1C=CCCC1 Amb27176130 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.43 CC(O)C(=O)OC1C=CCCC1 Amb27414414 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.43 CN(C)C(=O)CC1C=CCCC1 Amb27652514 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.43 O=C(O)C(=O)CC1=COCCC1 Amb33415727 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.43 O=C(O)C(=O)CC1CC=CCC1 Amb25934099 [1,0,0,0,0,0|0,0,2]=3 23 B12R1.43 O=C(O)C(=O)CC1CCCCC1 Amb18296282 [1,0,0,0,0,0|0,0,2]=3 24 B12R1.43 O=C(O)C(=O)CC1CCCCO1 Amb30033845 [1,0,0,0,0,0|1,0,1]=3 25 B12R1.43 O=C(O)C(=O)CC1CCCSC1 Amb32726310 [1,0,0,0,0,0|1,0,1]=3 26 B12R1.43 O=C(O)C(=O)CC1CCOCC1 Amb18990342 [1,0,0,0,0,0|1,0,2]=4 27 B12R1.43 O=C(O)C(=O)NC1CCCCC1 Amb2693954 [1,0,0,0,0,0|1,0,2]=4 28 B12R1.43 O=C(O)C(=O)NC1CCCNC1 Amb27178741 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.43 O=C(O)C(=O)NC1CCCOC1 Amb27645145 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.43 O=C(O)C(=O)N[C@@H]1CCCNC1 Amb28061821 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.43 O=C(O)C(=O)OC1CCCCC1 Amb28365635 [1,0,0,0,0,0|1,0,2]=4 32 B12R1.49 COC(=O)C[C@@H]1C=C[C@@H](O)CC1 Amb28249162 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.49 COC(=O)C[C@@H]1C=C[C@H](O)CC1 Amb28064098 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.49 COC(=O)O[C@H]1C=C[C@@H](O)CC1 Amb27422229 [1,0,0,0,0,0|3,0,0]=4 35 B14R1.3 CCC1CCC(CC(=O)C(=O)O)CC1 Amb33200988 [0,1,0,0,0,0|1,0,2]=4 36 B14R1.132 CN(C(=O)C(=O)O)C1CCC(O)CC1 Amb28122039 [0,1,0,0,0,0|1,0,2]=4 37 B14R1.134 COC(=O)C(=O)NC1CCC(O)CC1 Amb28061394 [0,1,0,0,0,0|1,0,2]=4 38 B14R1.16793 CC1(C)CCC(CC(=O)C(=O)O)CC1 Amb27810492 [0,1,0,0,0,0|1,0,2]=4 39 B14R1.16793 O=C(O)C(=O)CC1CCC(F)(F)CC1 Amb33403031 [0,1,0,0,0,0|1,0,2]=4 40 B12R0.186 NCC(O)CCSCC(=O)C(=O)O Amb33069807 [0,0,1,0,0,0|2,0,1]=4 41 B12R0.186 O=C(O)C(=O)CSCCC(O)CO Amb33069716 [0,0,1,0,0,0|2,0,1]=4 42 B14R2.15081 O=C(O)C(=O)CC1CCC2CC2C1 Amb35704634 [0,0,0,1,0,0|1,0,2]=4 43 B12R1.20 CC1CCC(C(=O)C(=O)O)CC1 Amb25724939 [0,0,0,0,1,0|1,0,2]=4 44 B12R1.20 C[C@H](C(=O)O)[C@H]1C=C[C@H](C)CC1 Amb27444670 [0,0,0,0,1,0|2,0,1]=4 45 B12R1.104 C=C(CN1CCC(O)C1)C(=O)O Amb27391693 [0,0,0,0,1,0|2,0,1]=4 46 B12R1.104 CC(OC1C=CC(O)C1)C(=O)O Amb27793426 [0,0,0,0,1,0|2,0,1]=4 47 B12R1.104 CC(O[C@@H]1C=C[C@H](O)C1)C(=O)O Amb27634896 [0,0,0,0,1,0|2,0,1]=4 48 B12R1.104 C[C@@H]1CCC(CC(=O)C(=O)O)O1 Amb33423391 [0,0,0,0,1,0|2,0,0]=3 49 B11R0.29 CC(O)CCSCC(=O)C(=O)O Amb33069719 [1,0,1,0,0,0|1,0,1]=4 50 B11R0.29 O=C(O)CCCCC(=O)C(=O)O Amb33470212 [1,0,1,0,0,0|1,0,1]=4 51 B11R0.42 C=CCCCCCC(N)C(=O)O Amb21936740 [1,0,1,0,0,0|1,0,1]=4 52 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O Amb22745701 [1,0,1,0,0,0|1,0,1]=4 53 B11R0.42 C=CCCCCC[C@H](N)C(=O)O Amb33037010 [1,0,1,0,0,0|1,0,1]=4 54 B11R0.42 CCCCCCCC(=O)C(=O)O Amb22904309 [1,0,1,0,0,0|0,0,2]=4 55 B11R0.42 CCC\C=C\CCC(C)C(=O)O Amb33373744 [1,0,1,0,0,0|1,0,1]=4 56 B11R1.91 CC(=O)\C=C\C1C=CCCC1 Amb25735805 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.91 O=C(O)\C=C\C1C=CCCC1 Amb27481955 [2,0,0,0,0,0|0,0,1]=3 58 B11R1.40 C=C(CO)CC1C=CCCC1 Amb27761665 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.40 C=CC(=O)NC1C=CCCC1 Amb27238458 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.40 COC(=O)CC1C=CCCC1 Amb27205970 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.40 O=C(CBr)CC1C=CCCC1 Amb28250376 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.20 CC(=O)O[C@@H]1C=C[C@@H](O)CC1 Amb28061575 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.20 CC(=O)O[C@@H]1C=C[C@H](O)CC1 Amb27791986 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.20 O=C(O)CC1=CCC(O)CC1 Amb27409091 [2,0,0,0,0,0|0,0,2]=4 65 B11R1.20 O=C(O)CC1C=CC(O)CC1 Amb27858906 [2,0,0,0,0,0|0,0,0]=2 66 B11R1.20 O=C(O)CC1CCC(O)CC1 Amb18126157 [2,0,0,0,0,0|0,0,2]=4 67 B11R1.20 O=C(O)C[C@H]1CC[C@H](O)CN1 Amb27629758 [2,0,0,0,0,0|1,0,1]=4 68 B13R1.514 CC1C=CC(O)(CCC(=O)O)CC1 Amb32864568 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.135 COC(=O)C(=O)CC1CCCCN1 Amb33291443 [1,1,0,0,0,0|1,0,1]=4 70 B13R1.148 C=C(CC1CCCC(=O)C1)C(=O)O Amb28289858 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.152 CC(C(=O)C(=O)O)C1=CCCCC1 Amb27657759 [1,1,0,0,0,0|0,0,2]=4 72 B13R1.152 NC(C(=O)O)[C@@H](O)C1C=CCCC1 Amb27854512 [1,1,0,0,0,0|1,0,1]=4 73 B13R1.202 CC1CCCCC1CC(=O)C(=O)O Amb27645540 [1,1,0,0,0,0|0,0,2]=4 74 B13R1.202 CN1CCCCC1CC(=O)C(=O)O Amb33323470 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.6154 CC1(CC(=O)C(=O)O)CCCCC1 Amb33320638 [1,1,0,0,0,0|0,0,2]=4 76 B13R1.59 O=C(O)C(=O)N[C@@H]1C=C[C@H](CO)C1 Amb27590396 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.6164 CC1(C)CCC(CC(=O)C(=O)O)C1 Amb33360788 [0,1,0,0,1,0|1,0,1]=4 78 B13R1.3768 CC1CCCC(C(=O)C(=O)O)C1=O Amb27401814 [0,0,1,1,0,0|2,0,0]=4 79 B13R1.3795 C=C(C(=O)O)[C@H]1C=C[C@H](O)CCC1 Amb27419979 [0,0,1,1,0,0|1,0,0]=3 80 B13R2.1287 O=C(O)C[C@@H]1C[C@@H]2C=C[C@H]1CC2 Amb28052101 [1,0,0,1,0,0|1,0,1]=4 81 B13R2.369 O=C1C=C2CCCCC2CC1=O Amb27614643 [1,0,0,1,0,0|1,0,1]=4 82 B13R2.369 O=C1NC2=CCCCC2NC1=O Amb27217639 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.433 O=C(O)C1CC2C=CCC(C2)C1 Amb26599871 [1,0,0,1,0,0|1,0,1]=4 84 B13R2.433 O=C(O)[C@@H]1C[C@H]2C=CC[C@H](C2)C1 Amb27788822 [1,0,0,1,0,0|1,0,1]=4 85 B13R2.7921 O=C(O)C(=O)CC1CC2CC2C1 Amb35618580 [1,0,0,1,0,0|0,0,2]=4 86 B13R2.1153 O=C(CO)C1CC2C=CC1CC2 Amb28461181 [1,0,0,1,0,0|1,0,1]=4 87 B13R2.7957 C=C(C(=O)O)C1CC2C=CC1C2 Amb33380383 [0,0,0,1,1,0|2,0,0]=4 88 B13R2.7957 CC(=O)C(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 Amb27854907 [0,0,0,1,1,0|2,0,0]=4 89 B13R2.7957 O=C(O)C(=O)C1CC2C=CC1C2 Amb33374726 [0,0,0,1,1,0|1,0,0]=3 90 B13R2.7957 O=C(O)C(=O)C1CC2CCC1C2 Amb28058011 [0,0,0,1,1,0|1,0,1]=4 91 B13R2.7957 O=C(O)C(=O)C1CC2CCC1O2 Amb32875392 [0,0,0,1,1,0|2,0,0]=4 92 B15R2.27860 O=C(O)C(=O)CC1CC2C=CC1CC2 Amb30018851 [0,0,0,1,0,1|1,0,0]=3 93 B15R2.99350 CO[C@@]12C=C[C@@H](CC1)C[C@]2(C)C(=O)O Amb28051904 [0,1,0,1,0,0|1,0,1]=4 94 B15R2.99350 CO[C@]12C=C[C@H](CC1)C[C@]2(O)C(=O)O Amb27491022 [0,1,0,1,0,0|0,0,2]=4 95 B15R2.1590 COC(=O)C1CC2C=CC(O)CC2N1 Amb27387679 [0,1,0,1,0,0|1,0,1]=4 96 B15R2.63031 O=C(O)C1CC2(O)C=CC(O)CC2N1 Amb27791912 [0,1,0,1,0,0|1,0,1]=4 97 B15R2.63031 O=C(O)[C@@H]1C[C@]2(O)C=C[C@H](O)C[C@@H]2N1 Amb28245228 [0,1,0,1,0,0|1,0,1]=4 98 B11R0.109 CCC(O)CSCC(=O)C(=O)O Amb33069737 [0,0,1,0,1,0|1,0,1]=4 99 B11R0.109 CC[C@@H](O)CSCC(=O)C(=O)O Amb33069734 [0,0,1,0,1,0|1,0,1]=4 100 B11R0.109 CC[C@H](O)CSCC(=O)C(=O)O Amb33069732 [0,0,1,0,1,0|1,0,1]=4 101 B11R1.75 CC(=O)OCC1C=CC(O)C1 Amb27604451 [1,0,0,0,1,0|2,0,0]=4 102 B11R1.75 CC(=O)OC[C@@H]1C=C[C@@H](O)C1 Amb28321370 [1,0,0,0,1,0|2,0,0]=4 103 B11R1.35 CC(=O)C(=O)CC1CCCC1 Amb24593200 [1,0,0,0,1,0|1,0,1]=4 104 B11R1.35 CC(=O)C(=O)CC1CCCN1 Amb26939335 [1,0,0,0,1,0|2,0,0]=4 105 B11R1.35 O=C(O)C(=O)CC1CC=CC1 Amb29880572 [1,0,0,0,1,0|0,0,2]=4 106 B11R1.35 O=C(O)C(=O)CC1CCCC1 Amb18296288 [1,0,0,0,1,0|0,0,1]=3 107 B11R1.35 O=C(O)C(=O)CC1CCCO1 Amb25891618 [1,0,0,0,1,0|1,0,0]=3 108 B11R1.35 O=C(O)C(=O)CC1CCCS1 Amb33416222 [1,0,0,0,1,0|1,0,0]=3 109 B11R1.35 O=C(O)C(=O)CC1CCOC1 Amb18987708 [1,0,0,0,1,0|1,0,1]=4 110 B11R1.35 O=C(O)C(=O)CC1CCSC1 Amb33141372 [1,0,0,0,1,0|1,0,1]=4 111 B11R1.35 O=C(O)C(=O)NC1C=CCC1 Amb35713392 [1,0,0,0,1,0|1,0,0]=3 112 B11R1.35 O=C(O)C(=O)NC1CCCC1 Amb9238896 [1,0,0,0,1,0|1,0,1]=4 113 B11R1.36 C=C(C(=O)O)C1C=CCCC1 Amb17593789 [1,0,0,0,1,0|1,0,0]=3 114 B11R1.36 CC(C(=O)O)C1C=CCCC1 Amb18125733 [1,0,0,0,1,0|1,0,1]=4 115 B11R1.36 NC(C(=O)O)C1C=CCCC1 Amb26874365 [1,0,0,0,1,0|1,0,1]=4 116 B11R1.36 N[C@@H](C(=O)O)C1C=CCCC1 Amb28411371 [1,0,0,0,1,0|1,0,1]=4 117 B11R1.36 N[C@H](C(=O)O)C1C=CCCC1 Amb25339911 [1,0,0,0,1,0|1,0,1]=4 118 B11R1.36 O=C(O)C(=O)C1CC=CCC1 Amb25892955 [1,0,0,0,1,0|0,0,2]=4 119 B11R1.36 O=C(O)C(=O)C1CCCCC1 Amb18125967 [1,0,0,0,1,0|0,0,2]=4 120 B11R1.36 O=C(O)C(=O)C1CCCCO1 Amb33375692 [1,0,0,0,1,0|1,0,1]=4 121 B11R1.36 O=C(O)C(=O)C1CCCOC1 Amb26540535 [1,0,0,0,1,0|1,0,1]=4 122 B11R1.36 O=C(O)C(=O)C1CCCSC1 Amb32726311 [1,0,0,0,1,0|1,0,1]=4 123 B11R1.36 O=C(O)C(=O)[C@H]1C=CCCC1 Amb24657289 [1,0,0,0,1,0|0,0,0]=2 124 B11R1.39 COC(=O)C[C@@H]1C=C[C@@H](O)C1 Amb28253596 [1,0,0,0,1,0|2,0,0]=4 125 B11R1.39 COC(=O)C[C@@H]1C=C[C@H](O)C1 Amb26554002 [1,0,0,0,1,0|2,0,0]=4 126 B11R1.39 COC(=O)C[C@H]1C=C[C@@H](O)C1 Amb22747624 [1,0,0,0,1,0|2,0,0]=4 127 B11R1.314 CC(C(=O)O)[C@H]1C=C[C@H](O)C1 Amb27848059 [0,0,0,0,2,0|1,0,1]=4 128 B11R1.314 C[C@@H]1CCC(C(=O)C(=O)O)O1 Amb33423395 [0,0,0,0,2,0|2,0,0]=4 129 B11R1.314 O=C(O)C(=O)N1CC[C@@H](O)C1 Amb27664885 [0,0,0,0,2,0|1,0,1]=4 130 B11R1.142 CC1CCC1NC(=O)C(=O)O Amb27806705 [0,0,0,0,2,0|2,0,0]=4 131 B13R1.348 NC(=O)CC(=O)NC1C=CCCC1 Amb27809199 [1,0,0,0,0,1|2,0,0]=4 132 B13R1.351 O=C(O)C(=O)CCC1CCCCC1 Amb33079594 [1,0,0,0,0,1|0,0,2]=4 133 B13R1.351 O=C(O)C(=O)CSC1CCCNC1 Amb33069844 [1,0,0,0,0,1|1,0,1]=4 134 B13R1.351 O=C(O)C(=O)NCC1=CCCCC1 Amb27483495 [1,0,0,0,0,1|0,0,2]=4