0 B12R0.268 C=C(F)CCCCCCCC(O)=O Amb22641501 [0,0,0,0,0,0|2,0,0]=2 1 B12R0.268 CC(=O)NCCCCCNC(=O)C Amb10549447 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.268 CC(C)CCCCCCCC(O)=O Amb24117911 [0,0,0,0,0,0|2,0,1]=3 3 B12R0.268 NC(=O)OCCCCCOC(N)=O Amb22731518 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.268 OC(=O)CCCCCCCC(O)=O Amb22336282 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.268 OC(=O)CNCCCNCC(O)=O Amb22733453 [0,0,0,0,0,0|2,0,0]=2 6 B12R0.268 OC(=O)CNCCCNCC(O)=O Amb24080859 [0,0,0,0,0,0|2,0,0]=2 7 B12R0.268 [O-]C(=O)CCCCCCCC(=O)[O-] Amb10559705 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.148 C#CCCCCCCCC(O)=O Amb22388895 [1,0,0,0,0,0|1,0,1]=3 9 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [1,0,0,0,0,0|2,0,0]=3 10 B11R0.148 CC(C)CCCCCCCC=O Amb22055758 [1,0,0,0,0,0|2,0,1]=4 11 B11R0.148 CCCCCCCCCC([O-])=O Amb22733551 [1,0,0,0,0,0|1,0,2]=4 12 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [1,0,0,0,0,0|1,0,1]=3 14 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [1,0,0,0,0,0|2,0,1]=4 15 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,0,0,0,0,0|2,0,1]=4 16 B11R0.148 N#CCCCSCCCC(=O)O Amb17504253 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [1,0,0,0,0,0|0,0,0]=1 19 B11R0.148 OCCOCCOCCC(O)=O Amb24057823 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.148 [N-]=[N+]=NCCCCCCC(O)=O Amb22407009 [1,0,0,0,0,0|3,0,0]=4 22 B13R0.180 OC(=O)CNCCCC[C@@H](C(=O)O)N Amb10976141 [0,1,0,0,0,0|1,0,0]=2 23 B13R0.202 CCC(C)CCCCCCCC(O)=O Amb21928874 [0,1,0,0,0,0|2,0,1]=4 24 B13R0.202 CCC(CCCCCCCC(=O)O)N Amb2229644 [0,1,0,0,0,0|2,0,1]=4 25 B13R0.202 COC(=O)CCCCCCCC(=O)O Amb2099653 [0,1,0,0,0,0|0,0,0]=1 26 B13R0.202 COC(=O)CCCCCCCC(C)C Amb22503804 [0,1,0,0,0,0|2,0,1]=4 27 B13R0.202 OC(=O)CCCCCCCC(F)CBr Amb22547613 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.149 OC(=O)\C=C\CC1CC(=O)CCC1 Amb18129064 [0,0,0,1,0,0|1,0,2]=4 29 B13R1.589 C=C(Br)CN1CCCCC1C(O)=O Amb18969581 [0,0,0,1,0,0|3,0,0]=4 30 B13R1.589 CC(=O)C1CCCCC1CC(O)=O Amb25233430 [0,0,0,1,0,0|1,0,0]=2 31 B13R1.589 CC(=O)C=1CCCCC1CC(O)=O Amb18129047 [0,0,0,1,0,0|1,0,2]=4 32 B13R1.589 CC(=O)CC1CCCCC1C(O)=O Amb18129441 [0,0,0,1,0,0|1,0,0]=2 33 B13R1.589 CC(=O)CN1CCCCC1C(=O)O Amb17561167 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.589 CC(=O)CN1CCCCC1C(N)=O Amb18328519 [0,0,0,1,0,0|3,0,0]=4 35 B13R1.589 CC(=O)C[C@@H]1CCCC[C@H]1C(O)=O Amb25216930 [0,0,0,1,0,0|1,0,0]=2 36 B13R1.589 CC(=O)C[C@H]1CCCCN1C(C)=O Amb25080105 [0,0,0,1,0,0|3,0,0]=4 37 B13R1.589 CC(=O)N1CCCCC1CC(N)=O Amb24581990 [0,0,0,1,0,0|3,0,0]=4 38 B13R1.589 CC(=O)N1CCSCC1CC(O)=O Amb24768576 [0,0,0,1,0,0|3,0,0]=4 39 B13R1.589 CC(=O)N[C@@H]1CCCC[C@@H]1C(O)=O Amb24739466 [0,0,0,1,0,0|2,0,0]=3 40 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1C(O)=O Amb25179071 [0,0,0,1,0,0|2,0,0]=3 41 B13R1.589 CC(=O)N[C@H]1CCCC[C@@H]1C(O)=O Amb24634006 [0,0,0,1,0,0|2,0,0]=3 42 B13R1.589 CC(=O)OC1CCCCC1C(=O)Cl Amb25222643 [0,0,0,1,0,0|3,0,0]=4 43 B13R1.589 CC(=O)OC1CCCCC1C(O)=O Amb25276247 [0,0,0,1,0,0|2,0,0]=3 44 B13R1.589 CC(=O)ON1CCCCC1C(O)=O Amb25109944 [0,0,0,1,0,0|3,0,0]=4 45 B13R1.589 CC(=O)O[C@@H]1CCCC[C@@H]1C(=O)Cl Amb25288486 [0,0,0,1,0,0|3,0,0]=4 46 B13R1.589 CC(=O)O[C@@H]1CCCC[C@@H]1C(O)=O Amb25322063 [0,0,0,1,0,0|2,0,0]=3 47 B13R1.589 CC(=O)SC1CCCCC1C(O)=O Amb24669021 [0,0,0,1,0,0|2,0,0]=3 48 B13R1.589 CC(=O)[C@@H]1CCCC[C@H]1CC(O)=O Amb24688270 [0,0,0,1,0,0|1,0,0]=2 49 B13R1.589 CC(C)CC1CCCCC1C(O)=O Amb24676030 [0,0,0,1,0,0|2,0,1]=4 50 B13R1.589 CC(O)C1CCCCN1CC(O)=O Amb25686757 [0,0,0,1,0,0|2,0,1]=4 51 B13R1.589 CC(O)C1CNCCC1CC(O)=O Amb25240622 [0,0,0,1,0,0|2,0,1]=4 52 B13R1.589 CC(O)CN1CCCCC1C(O)=O Amb18969628 [0,0,0,1,0,0|2,0,1]=4 53 B13R1.589 CN(C)C1CCCCC1CC(O)=O Amb18822385 [0,0,0,1,0,0|3,0,0]=4 54 B13R1.589 CN(C)CC1CCCCC1C(O)=O Amb24520735 [0,0,0,1,0,0|3,0,0]=4 55 B13R1.589 CN(C)[C@@H]1CCCC[C@@H]1CC(O)=O Amb25264058 [0,0,0,1,0,0|3,0,0]=4 56 B13R1.589 NC(=N)N[C@H]1CCCC[C@@H]1C(O)=O Amb24739503 [0,0,0,1,0,0|3,0,0]=4 57 B13R1.589 NC(=O)C1CCCCN1CC(O)=O Amb18292785 [0,0,0,1,0,0|2,0,0]=3 58 B13R1.589 NC(=O)C1COCCN1CC(O)=O Amb25779725 [0,0,0,1,0,0|3,0,0]=4 59 B13R1.589 NC(=O)CC1CCCCC1C(N)=O Amb24740939 [0,0,0,1,0,0|2,0,0]=3 60 B13R1.589 NC(=O)CN1CCCCC1C(N)=O Amb18328836 [0,0,0,1,0,0|3,0,0]=4 61 B13R1.589 NC(=O)CN1CCOCC1C(O)=O Amb25752197 [0,0,0,1,0,0|3,0,0]=4 62 B13R1.589 NC(=O)N1CCCCC1CC(O)=O Amb24454122 [0,0,0,1,0,0|2,0,0]=3 63 B13R1.589 OC(=O)CC1C=CCSC1C(O)=O Amb18653925 [0,0,0,1,0,0|1,0,2]=4 64 B13R1.589 OC(=O)CC1CCCCC1C(O)=O Amb18649266 [0,0,0,1,0,0|0,0,0]=1 65 B13R1.589 OC(=O)CC1CCCCN1C(=O)C Amb13952139 [0,0,0,1,0,0|2,0,0]=3 66 B13R1.589 OC(=O)CC1CCCNC1C(O)=O Amb24453346 [0,0,0,1,0,0|1,0,0]=2 67 B13R1.589 OC(=O)CC=1CCCCC1C(O)=O Amb25295259 [0,0,0,1,0,0|0,0,2]=3 68 B13R1.589 OC(=O)CN1CCCCC1C(=O)O Amb17561089 [0,0,0,1,0,0|1,0,0]=2 69 B13R1.589 OC(=O)CN1CCCCC1C(O)=O Amb25052028 [0,0,0,1,0,0|1,0,0]=2 70 B13R1.589 OC(=O)CN1CCNCC1C(O)=O Amb18191119 [0,0,0,1,0,0|2,0,0]=3 71 B13R1.589 OC(=O)C[C@H]1CCCC[C@@H]1C(O)=O Amb24563366 [0,0,0,1,0,0|0,0,0]=1 72 B13R1.589 OC(=O)C[C@H]1CCCN[C@@H]1C(O)=O Amb25241516 [0,0,0,1,0,0|1,0,0]=2 73 B13R1.591 CC(=O)CC1CCCC1NC(C)=O Amb25139514 [0,0,0,1,0,0|3,0,0]=4 74 B13R1.591 CC(=O)C[C@@H]1CCC[C@@H]1NC(C)=O Amb25216185 [0,0,0,1,0,0|3,0,0]=4 75 B13R1.1082 CC(=O)[C@H]1CCCCC[C@@H]1C(O)=O Amb25232970 [0,0,0,1,0,0|1,0,0]=2 76 B13R1.1082 CC(C)C1CCCCCC1C(O)=O Amb25774936 [0,0,0,1,0,0|2,0,1]=4 77 B13R1.1082 CN(C)C1CCCCCC1C(O)=O Amb18967362 [0,0,0,1,0,0|3,0,0]=4 78 B13R1.1082 CN(C)[C@@H]1CCCCC[C@H]1C(O)=O Amb24670171 [0,0,0,1,0,0|3,0,0]=4 79 B13R1.1082 CS(=O)N1CCCCCC1C(O)=O Amb24551441 [0,0,0,1,0,0|3,0,0]=4 80 B13R1.1082 NC(=O)C1CCCCCC1C(O)=O Amb25102713 [0,0,0,1,0,0|1,0,0]=2 81 B13R1.1082 NC(=O)N1CCCCCC1C(O)=O Amb25839215 [0,0,0,1,0,0|2,0,0]=3 82 B13R1.1082 OC(=O)C1CCCCCC1C(=O)C Amb17594754 [0,0,0,1,0,0|1,0,0]=2 83 B13R1.1082 OC(=O)C1CCCCCC1C(O)=O Amb25719377 [0,0,0,1,0,0|0,0,0]=1 84 B13R1.1082 OC(=O)C=1CCCCCC1C(O)=O Amb24442364 [0,0,0,1,0,0|0,0,2]=3 85 B13R1.1082 OC(=O)[C@@H]1CCCCC[C@H]1C(O)=O Amb25327872 [0,0,0,1,0,0|0,0,0]=1 86 B13R1.1082 OC(=O)[C@H]1CCCCC[C@@H]1C(O)=O Amb25366546 [0,0,0,1,0,0|0,0,0]=1 87 B13R1.1082 OC(=O)[C@H]1CCCCC[C@H]1C(O)=O Amb22356761 [0,0,0,1,0,0|0,0,0]=1 88 B13R1.3501 CS(=O)CCC1CC(=O)CCCC1 Amb24699714 [0,0,0,1,0,0|3,0,0]=4 89 B13R1.3501 NC(=O)CCC1CCCCC(=O)N1 Amb24601792 [0,0,0,1,0,0|2,0,0]=3 90 B13R1.3501 OC(=O)CCC1CC(=O)CCCC1 Amb24650935 [0,0,0,1,0,0|1,0,0]=2 91 B13R1.3501 OC(=O)CCC1CCCCC(=O)N1 Amb18191370 [0,0,0,1,0,0|1,0,0]=2 92 B13R1.3501 OC(=O)CC[C@@H]1CC(=O)CCCC1 Amb25798856 [0,0,0,1,0,0|1,0,0]=2 93 B13R1.3576 CC(=O)NCC1CCCC1C(O)=O Amb25103724 [0,0,0,1,0,0|2,0,0]=3 94 B13R1.3576 CC(=O)NC[C@@H]1CCC[C@@H]1C(O)=O Amb25126170 [0,0,0,1,0,0|2,0,0]=3 95 B13R1.3576 CN(C)C1CCCC1CCC(O)=O Amb18191349 [0,0,0,1,0,0|3,0,0]=4 96 B13R1.3576 NC(=O)NC[C@@H]1CCC[C@@H]1C(O)=O Amb25720575 [0,0,0,1,0,0|2,0,0]=3 97 B13R1.3576 OC(=O)C1NCCC1\C=C\C(O)=O Amb25043798 [0,0,0,1,0,0|1,0,2]=4 98 B13R1.3576 OC(=O)C1NCC[C@@H]1\C=C\C(O)=O Amb24495341 [0,0,0,1,0,0|1,0,2]=4 99 B13R1.3773 OC(=O)CC1CC(=O)CCCCC1 Amb25701324 [0,0,0,1,0,0|1,0,0]=2 100 B13R1.3807 OC(=O)C=1CC(=O)CCCCCC1 Amb24692912 [0,0,0,1,0,0|1,0,2]=4 101 B13R1.3807 OC1CCCOCCC(C1)C(O)=O Amb24739844 [0,0,0,1,0,0|2,0,1]=4 102 B13R1.8832 OC(=O)CN1CCCCCS1(=O)=O Amb24473243 [0,0,0,1,0,0|2,0,1]=4 103 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [0,0,0,0,1,0|2,0,0]=3 104 B11R0.30 CC(=O)SCCCCCC(O)=O Amb22337829 [0,0,0,0,1,0|2,0,0]=3 105 B11R0.30 NC(=N)NCCCCCC(O)=O Amb20621391 [0,0,0,0,1,0|3,0,0]=4 106 B11R0.30 OC(=O)CCCCCNC(=O)C Amb1208026 [0,0,0,0,1,0|2,0,0]=3 107 B11R0.30 OC(=O)CCNCCCC(=O)O Amb10606894 [0,0,0,0,1,0|1,0,0]=2 108 B11R0.30 OC(=O)CCSCCCC(=O)O Amb17501237 [0,0,0,0,1,0|1,0,0]=2 109 B11R0.30 O[13C](=O)CC\C=C\CC[13C](=O)O Amb17618814 [0,0,0,0,1,0|0,0,2]=3 110 B13R0.179 CC(C)CCCCCCCCC(O)=O Amb21928890 [0,0,0,0,0,1|2,0,1]=4 111 B13R0.179 CC(CCCCCCCCC(=O)O)N Amb2229643 [0,0,0,0,0,1|2,0,1]=4 112 B13R0.179 OC(=O)CC#CCCC#CCC(O)=O Amb25775051 [0,0,0,0,0,1|0,0,3]=4 113 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22264826 [0,0,0,0,0,1|0,0,0]=1 114 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22351881 [0,0,0,0,0,1|0,0,0]=1 115 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22369048 [0,0,0,0,0,1|0,0,0]=1 116 B13R0.179 OC(=O)CCC\C=C/CCCC(=O)O Amb1005866 [0,0,0,0,0,1|0,0,1]=2 117 B13R0.179 OC(=O)CCOCCOCCC(O)=O Amb21982697 [0,0,0,0,0,1|1,0,0]=2 118 B13R0.179 OC(=O)CCSCCSCCC(O)=O Amb21953070 [0,0,0,0,0,1|1,0,0]=2 119 B13R0.179 OC(=O)NCCCCCCNC(O)=O Amb22338140 [0,0,0,0,0,1|1,0,0]=2 120 B13R0.179 [O-]C(=O)CCCCCCCCC([O-])=O Amb22168122 [0,0,0,0,0,1|0,0,2]=3 121 B13R0.179 [O-]C(=O)CCCCCCCCC([O-])=O Amb22730286 [0,0,0,0,0,1|0,0,2]=3 122 B13R0.179 [O-]C(=O)CCCCCCCCC([O-])=O Amb22733850 [0,0,0,0,0,1|0,0,2]=3 123 B10R0.4 CC(=O)NCCCCCC=O Amb24113371 [2,0,0,0,0,0|2,0,0]=4 124 B10R0.4 CC(=O)NCCCCCCO Amb24113372 [2,0,0,0,0,0|2,0,0]=4 125 B10R0.4 CCCCCCCCC([O-])=O Amb22729912 [2,0,0,0,0,0|0,0,2]=4 126 B10R0.4 CCCCCCCC[Sn](O)=O Amb22729697 [2,0,0,0,0,0|1,0,1]=4 127 B10R0.4 CCOCCCCCC(O)=O Amb22234334 [2,0,0,0,0,0|1,0,1]=4 128 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [2,0,0,0,0,0|1,0,0]=3 129 B10R0.4 NCCCCCCCC(O)=O Amb19929586 [2,0,0,0,0,0|1,0,0]=3 130 B10R0.4 NCCCCCCNC(O)=O Amb22494605 [2,0,0,0,0,0|2,0,0]=4 131 B10R0.4 NCCCOCCCC(O)=O Amb18111568 [2,0,0,0,0,0|2,0,0]=4 132 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [2,0,0,0,0,0|2,0,0]=4 133 B10R0.4 OC(=O)CCCCCCCS Amb22353760 [2,0,0,0,0,0|0,1,0]=3 134 B10R0.4 OCC#CCCCCC(O)=O Amb25385233 [2,0,0,0,0,0|0,0,2]=4 135 B10R0.4 OCCCSCCCC(=O)O Amb17502860 [2,0,0,0,0,0|1,0,0]=3 136 B10R0.4 OCCOCCOCC(O)=O Amb24057830 [2,0,0,0,0,0|2,0,0]=4 137 B10R0.4 [O-]C(=O)CCCCCCCBr Amb22015198 [2,0,0,0,0,0|1,0,1]=4 138 B10R0.71 C=CCCCCCCCC=C Amb22729808 [2,0,0,0,0,0|2,0,0]=4 139 B10R0.71 C=CCCCCCCCC=O Amb22734770 [2,0,0,0,0,0|1,0,0]=3 140 B12R0.4 CCCCCCCC(O)CC(O)=O Amb19071697 [1,1,0,0,0,0|1,0,1]=4 141 B12R0.233 CCCCCC(C)CCCC(O)=O Amb24062978 [1,1,0,0,0,0|1,0,1]=4 142 B12R0.234 C=CCCCCCCCCC(=O)[O-] Amb10843808 [1,1,0,0,0,0|1,0,1]=4 143 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [1,1,0,0,0,0|1,0,0]=3 144 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [1,1,0,0,0,0|1,0,0]=3 145 B12R0.234 CC(=O)OCCCCCCCC=C Amb22733550 [1,1,0,0,0,0|2,0,0]=4 146 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,1,0,0,0,0|1,0,1]=4 147 B12R0.248 CCCCCCCCC[14C](=O)O[Na] Amb22352051 [1,1,0,0,0,0|1,0,1]=4 148 B12R0.248 CNCCCCCCCC(=O)OC Amb24331961 [1,1,0,0,0,0|2,0,0]=4 149 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [1,1,0,0,0,0|0,0,1]=3 150 B12R0.251 CCCCCCCCC(Br)C(O)=O Amb22347926 [1,1,0,0,0,0|1,0,1]=4 151 B12R0.251 CCCCCCCCC(C)C(O)=O Amb19058533 [1,1,0,0,0,0|1,0,1]=4 152 B12R0.251 CCCCCCCC[C@@H](N)C(O)=O Amb22745440 [1,1,0,0,0,0|1,0,1]=4 153 B12R0.255 CCCCCCC(O)CCC(O)=O Amb19071689 [1,1,0,0,0,0|1,0,1]=4 154 B12R0.42 CC(=O)NCCCC[C@@H](N)C(O)=O Amb24323525 [0,1,0,0,1,0|2,0,0]=4 155 B12R0.42 NC(=O)NCCCC[C@H](C(=O)O)N Amb16183831 [0,1,0,0,1,0|2,0,0]=4 156 B12R0.42 N[C@@H](CCCCCC(O)=O)C(O)=O Amb17678794 [0,1,0,0,1,0|0,0,0]=2 157 B12R0.42 OC(=O)CCCCCC(C(=O)O)N Amb10807509 [0,1,0,0,1,0|0,0,0]=2 158 B12R0.44 CN(CCC(=O)O)CCCC(=O)O Amb17561253 [0,1,0,0,1,0|1,0,0]=3 159 B12R0.44 OC(=O)CCC(=O)NCCC(O)=O Amb19060266 [0,1,0,0,1,0|1,0,1]=4 160 B14R0.305 CCC(=O)NCCCCCCCC(O)=O Amb25392233 [0,1,0,0,0,1|1,0,0]=3 161 B14R0.305 NNC(=O)CCCCCCCCC(=O)O Amb1792999 [0,1,0,0,0,1|1,0,0]=3 162 B14R0.549 NC(CCSCCCCC(O)=O)C(O)=O Amb24094996 [0,1,0,0,0,1|0,0,0]=2 163 B14R0.549 OC(=O)CCCCCCCC(O)C(O)=O Amb24325972 [0,1,0,0,0,1|0,0,0]=2 164 B14R0.2680 OC(=O)CCCCCCCSS(=O)(=O)C Amb17616798 [0,1,0,0,0,1|1,0,1]=4 165 B14R0.2660 NC(CC(O)=O)C(=O)NCCCC(O)=O Amb22474892 [0,2,0,0,0,0|1,0,1]=4 166 B14R0.400 NC(CCOC(=O)CCC(O)=O)C(O)=O Amb22349917 [0,2,0,0,0,0|1,0,1]=4 167 B14R0.400 N[C@@H](CCOC(=O)CCC(O)=O)C(O)=O Amb22748393 [0,2,0,0,0,0|1,0,1]=4 168 B14R0.405 CC(NCCCC[C@@H](N)C(O)=O)C(O)=O Amb19131113 [0,2,0,0,0,0|1,0,0]=3 169 B14R0.405 NC(C(=O)O)CCCCCC(C(=O)O)N Amb1054832 [0,2,0,0,0,0|0,0,0]=2 170 B14R0.405 NC(C(=O)O)CSCSCC(C(=O)O)N Amb10843396 [0,2,0,0,0,0|2,0,0]=4 171 B14R0.405 N[C@@H](CCCCC[C@@H](N)C(O)=O)C(O)=O Amb22745443 [0,2,0,0,0,0|0,0,0]=2 172 B14R0.405 N[C@@H](CCCCC[C@H](N)C(O)=O)C(O)=O Amb22745442 [0,2,0,0,0,0|0,0,0]=2 173 B14R0.405 N[C@@H](CSCSC[C@H](N)C(O)=O)C(O)=O Amb22735300 [0,2,0,0,0,0|2,0,0]=4 174 B14R0.534 CCC(O)CCCCCCC(O)C(O)=O Amb22483586 [0,2,0,0,0,0|1,0,1]=4 175 B14R0.1437 OC(=O)CCNCP(=O)(CCC(=O)O)O Amb1016957 [0,2,0,0,0,0|2,0,0]=4 176 B14R0.197 COC(=O)CSCCCSCC(=O)OC Amb23590658 [0,2,0,0,0,0|2,0,0]=4 177 B14R0.432 CCOC(=O)CCCCCCCC(=O)O Amb17608619 [0,2,0,0,0,0|0,0,0]=2 178 B14R0.2672 OC(=O)CCCS(=O)(=O)CCCC(=O)O Amb17503695 [0,2,0,0,0,0|1,0,0]=3 179 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 Amb18511855 [1,0,0,1,0,0|1,0,1]=4 180 B12R1.28 C\C=C\CCC1CCCC(=O)O1 Amb22731235 [1,0,0,1,0,0|1,0,1]=4 181 B12R1.75 C=CC1CCCCC1CC(O)=O Amb24423935 [1,0,0,1,0,0|1,0,0]=3 182 B12R1.75 C=C[C@H]1CCCC[C@@H]1CC(O)=O Amb24617762 [1,0,0,1,0,0|1,0,0]=3 183 B12R1.75 CC(=C)CC1CCCCC1C=O Amb24690791 [1,0,0,1,0,0|2,0,0]=4 184 B12R1.75 CC(=O)CC1CCCCC1C=O Amb18647006 [1,0,0,1,0,0|1,0,0]=3 185 B12R1.75 CC(=O)OC1CCCCC1C=O Amb18647323 [1,0,0,1,0,0|2,0,0]=4 186 B12R1.75 CCC1CCCCC1CC(O)=O Amb25152261 [1,0,0,1,0,0|1,0,1]=4 187 B12R1.75 COC1CCCCC1CC(O)=O Amb18647650 [1,0,0,1,0,0|2,0,0]=4 188 B12R1.75 CO[C@H]1CCCC[C@@H]1CC(O)=O Amb24710034 [1,0,0,1,0,0|2,0,0]=4 189 B12R1.75 C\C=C/1\CCCCC1CC(O)=O Amb24741726 [1,0,0,1,0,0|1,0,1]=4 190 B12R1.75 N#CC1CCCCC1CC(O)=O Amb18827227 [1,0,0,1,0,0|1,0,1]=4 191 B12R1.75 NC(=O)CN1CCCCC1C=O Amb18801827 [1,0,0,1,0,0|2,0,0]=4 192 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [1,0,0,1,0,0|1,0,1]=4 193 B12R1.75 OC(=O)CC1CCCCN1C=O Amb18281873 [1,0,0,1,0,0|1,0,0]=3 194 B12R1.75 OC(=O)CC1CCCCN1N=O Amb25772840 [1,0,0,1,0,0|2,0,0]=4 195 B12R1.75 OC(=O)CC1COCCN1C=O Amb24634114 [1,0,0,1,0,0|2,0,0]=4 196 B12R1.75 OC(=O)C[C@H]1CCCC[C@@H]1C=O Amb24595748 [1,0,0,1,0,0|0,0,0]=2 197 B12R1.75 OCC1CCCCN1CC(O)=O Amb18294605 [1,0,0,1,0,0|1,0,1]=4 198 B12R1.75 OC[C@H]1CCCCN1CC(O)=O Amb24397069 [1,0,0,1,0,0|1,0,1]=4 199 B12R1.125 C=C1CCCCC1CCC(O)=O Amb25700911 [1,0,0,1,0,0|1,0,0]=3 200 B12R1.125 CC(=O)CCC1CCCCC1=O Amb25313248 [1,0,0,1,0,0|1,0,0]=3 201 B12R1.125 CC(=O)CCC1CCCCC1O Amb25027519 [1,0,0,1,0,0|1,0,1]=4 202 B12R1.125 CC(=O)CCC1CCCNC1=O Amb18826001 [1,0,0,1,0,0|2,0,0]=4 203 B12R1.125 CC(=O)CCC1CCCOC1=O Amb25117494 [1,0,0,1,0,0|2,0,0]=4 204 B12R1.125 CC(=O)CCN1CCCCC1=O Amb25200888 [1,0,0,1,0,0|2,0,0]=4 205 B12R1.125 CC(=O)COC1CCCCC1=O Amb24537749 [1,0,0,1,0,0|2,0,0]=4 206 B12R1.125 CC(=O)CSC1CCCCC1=O Amb24363432 [1,0,0,1,0,0|2,0,0]=4 207 B12R1.125 CC(=O)OCC1CCCCC1=O Amb24080010 [1,0,0,1,0,0|2,0,0]=4 208 B12R1.125 CC(O)CCC1CCCCC1=O Amb25201684 [1,0,0,1,0,0|1,0,1]=4 209 B12R1.125 CC1CCCCC1CCC(O)=O Amb18647427 [1,0,0,1,0,0|1,0,1]=4 210 B12R1.125 NC(=O)CCC1CCCCC1=O Amb21951694 [1,0,0,1,0,0|1,0,0]=3 211 B12R1.125 NC(=O)CCN1CCCCC1=O Amb18801785 [1,0,0,1,0,0|2,0,0]=4 212 B12R1.125 NC(=O)CSC1CCCCC1=O Amb25157838 [1,0,0,1,0,0|2,0,0]=4 213 B12R1.125 N[C@H]1CCCC[C@@H]1CCC(O)=O Amb25302248 [1,0,0,1,0,0|1,0,1]=4 214 B12R1.125 N[C@H]1CCCC[C@H]1CCC(O)=O Amb25295431 [1,0,0,1,0,0|1,0,1]=4 215 B12R1.125 O=C1CCCCN1CCC(=O)Cl Amb22741283 [1,0,0,1,0,0|2,0,0]=4 216 B12R1.125 OC(=O)CCC1=CCCCC1=O Amb18646934 [1,0,0,1,0,0|0,0,2]=4 217 B12R1.125 OC(=O)CCC1CCC=CC1=O Amb18646933 [1,0,0,1,0,0|0,0,2]=4 218 B12R1.125 OC(=O)CCC1CCCCN1C Amb10607785 [1,0,0,1,0,0|2,0,0]=4 219 B12R1.125 OC(=O)CCC1CCCCN1C Amb13949149 [1,0,0,1,0,0|2,0,0]=4 220 B12R1.125 OC(=O)CCC1CCCSC1=O Amb24513624 [1,0,0,1,0,0|1,0,0]=3 221 B12R1.125 OC(=O)CCC1CCOCC1=O Amb18198355 [1,0,0,1,0,0|1,0,0]=3 222 B12R1.125 OC(=O)CCC1CCSCC1=O Amb18820771 [1,0,0,1,0,0|1,0,0]=3 223 B12R1.125 OC(=O)CCC1CNCCC1=O Amb24379504 [1,0,0,1,0,0|1,0,0]=3 224 B12R1.125 OC(=O)CCC1COCCC1=O Amb18198354 [1,0,0,1,0,0|1,0,0]=3 225 B12R1.125 OC(=O)CCC1CSCCC1=O Amb18820772 [1,0,0,1,0,0|1,0,0]=3 226 B12R1.125 OC(=O)CCN1CCCNC1=O Amb18293178 [1,0,0,1,0,0|2,0,0]=4 227 B12R1.125 OC(=O)CCN1CCCOC1=O Amb18975906 [1,0,0,1,0,0|2,0,0]=4 228 B12R1.125 OC(=O)CCN1CCNCC1=O Amb24394797 [1,0,0,1,0,0|2,0,0]=4 229 B12R1.125 OC(=O)CCN1CCOCC1=O Amb18254563 [1,0,0,1,0,0|2,0,0]=4 230 B12R1.125 OC(=O)CNC1CCCNC1=O Amb18298130 [1,0,0,1,0,0|2,0,0]=4 231 B12R1.125 OC(=O)CSC1CCCCC1O Amb10808762 [1,0,0,1,0,0|1,0,1]=4 232 B12R1.125 OC1CCCCC1NCC(O)=O Amb18990895 [1,0,0,1,0,0|1,0,1]=4 233 B12R1.125 OC1CCCCC1OCC(O)=O Amb24465502 [1,0,0,1,0,0|1,0,1]=4 234 B12R1.125 OC1CCCCN1CCC(O)=O Amb25848698 [1,0,0,1,0,0|1,0,1]=4 235 B12R1.125 OC1CCCNC1CCC(O)=O Amb25258833 [1,0,0,1,0,0|1,0,1]=4 236 B12R1.125 O[C@H]1CCCC[C@@H]1CCC(O)=O Amb25179269 [1,0,0,1,0,0|0,0,1]=3 237 B12R1.125 O[C@H]1CCCC[C@@H]1SCC(O)=O Amb25286930 [1,0,0,1,0,0|1,0,1]=4 238 B12R1.130 OC(=O)CCCN1CCCC1=O Amb1130787 [1,0,0,1,0,0|1,0,0]=3 239 B12R1.130 OC(=O)CCSC1CCCC1=O Amb16230793 [1,0,0,1,0,0|1,0,0]=3 240 B12R1.130 OC(=O)CCS[C@@H]1CCCC1=O Amb24181926 [1,0,0,1,0,0|1,0,0]=3 241 B12R1.130 OC(=O)\C=C\CC1CCCC1=O Amb25772855 [1,0,0,1,0,0|0,0,2]=4 242 B12R1.141 C=C1CC(=O)CCCCCCC1 Amb25834396 [1,0,0,1,0,0|2,0,0]=4 243 B12R1.210 CC(=C)CC1CCCCCC1=O Amb18798683 [1,0,0,1,0,0|2,0,0]=4 244 B12R1.210 CC(=O)CC1CCCCCC1=O Amb24535501 [1,0,0,1,0,0|1,0,0]=3 245 B12R1.210 CC(=O)CC1CCCCCC1O Amb25134615 [1,0,0,1,0,0|1,0,1]=4 246 B12R1.210 CC(=O)CC1CCCCOC1=O Amb24721636 [1,0,0,1,0,0|2,0,0]=4 247 B12R1.210 CC(=O)CN1CCCCCC1=O Amb18806130 [1,0,0,1,0,0|2,0,0]=4 248 B12R1.210 CC(=O)NC1CCCCCC1=O Amb25158473 [1,0,0,1,0,0|2,0,0]=4 249 B12R1.210 NC(=O)CC1CCCCNC1=O Amb24738602 [1,0,0,1,0,0|2,0,0]=4 250 B12R1.210 OC(=O)CC1CCCCCC1=O Amb18825694 [1,0,0,1,0,0|0,0,0]=2 251 B12R1.210 OC(=O)CC1CCNCCC1=O Amb24667785 [1,0,0,1,0,0|1,0,0]=3 252 B12R1.210 OC1CCCCCC1CC(O)=O Amb18198284 [1,0,0,1,0,0|0,0,1]=3 253 B12R1.212 C=C1CCCCCCC1C(O)=O Amb24634098 [1,0,0,1,0,0|1,0,0]=3 254 B12R1.212 CC(=O)C1CCCCCCC1=C Amb25723824 [1,0,0,1,0,0|2,0,0]=4 255 B12R1.212 CC(=O)C1CCCCCCC1=O Amb25318904 [1,0,0,1,0,0|1,0,0]=3 256 B12R1.212 CN1CCCCCCC1C(O)=O Amb25816705 [1,0,0,1,0,0|2,0,0]=4 257 B12R1.212 NC(=O)C1CCCCCCC1=O Amb25335143 [1,0,0,1,0,0|1,0,0]=3 258 B12R1.212 NC(=O)[C@@H]1CCCCCC[C@H]1O Amb24512072 [1,0,0,1,0,0|1,0,1]=4 259 B12R1.212 NC1CCCCCCC1C(O)=O Amb20667806 [1,0,0,1,0,0|1,0,1]=4 260 B12R1.212 NC1CCCCCCC1C(O)=O Amb22059713 [1,0,0,1,0,0|1,0,1]=4 261 B12R1.212 NC=1CCCCCCC1C(O)=O Amb24722108 [1,0,0,1,0,0|1,0,1]=4 262 B12R1.212 N[C@H]1CCCCCC[C@@H]1C(O)=O Amb25245343 [1,0,0,1,0,0|1,0,1]=4 263 B12R1.212 OC(=O)C1CCCCCNC1=O Amb24578643 [1,0,0,1,0,0|1,0,0]=3 264 B12R1.212 OC(=O)C=1CCCCCCC1Cl Amb24650994 [1,0,0,1,0,0|1,0,1]=4 265 B12R1.212 OC(=O)[C@@H]1CCCCCC[C@@H]1N Amb1993854 [1,0,0,1,0,0|1,0,1]=4 266 B12R1.212 OC(=O)[C@H]1CCCCCC[C@H]1N Amb1993853 [1,0,0,1,0,0|1,0,1]=4 267 B12R1.212 O[C@@H]1CCCCCC[C@@H]1C(O)=O Amb24692827 [1,0,0,1,0,0|0,0,1]=3 268 B12R1.212 O[C@H]1CCCCCC[C@H]1C(O)=O Amb24739651 [1,0,0,1,0,0|0,0,1]=3 269 B12R1.215 O=C1CC=CCCCCCCC1 Amb25112664 [1,0,0,1,0,0|2,0,0]=4 270 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [1,0,0,1,0,0|1,0,1]=4 271 B12R1.252 OC(=O)CCCC1CCCCC1 Amb22360661 [1,0,0,1,0,0|1,0,1]=4 272 B12R1.252 OC(=O)CCCC1CCCCN1 Amb1101084 [1,0,0,1,0,0|1,0,1]=4 273 B12R1.252 OC(=O)CCCC1CCCCN1 Amb22284114 [1,0,0,1,0,0|1,0,1]=4 274 B12R1.252 OC(=O)CCOC1CCCCO1 Amb24120644 [1,0,0,1,0,0|1,0,1]=4 275 B12R1.255 OC(=O)CCCCC1SSCC1 Amb1152511 [1,0,0,1,0,0|1,1,0]=4 276 B12R1.255 OC(=O)CCCC[C@@H]1SSCC1 Amb17616537 [1,0,0,1,0,0|1,1,0]=4 277 B12R1.255 O[13C](=O)[13CH2]CC[13CH2][13CH]1CCSS1 Amb22353982 [1,0,0,1,0,0|1,1,0]=4 278 B12R1.283 C#CCC1CCCCC1C(O)=O Amb24685505 [1,0,0,1,0,0|1,0,1]=4 279 B12R1.283 C=CCC1CCCCC1C(O)=O Amb18646999 [1,0,0,1,0,0|1,0,0]=3 280 B12R1.283 C=CCN1CCCCC1C(=O)O Amb13886181 [1,0,0,1,0,0|2,0,0]=4 281 B12R1.283 C=CCN1CCCCC1C(=O)O Amb2382768 [1,0,0,1,0,0|2,0,0]=4 282 B12R1.283 C=CC[C@@H]1CCCC[C@H]1C(O)=O Amb25227522 [1,0,0,1,0,0|1,0,0]=3 283 B12R1.283 CC(=O)C1CCCCC1CC=C Amb25730117 [1,0,0,1,0,0|2,0,0]=4 284 B12R1.283 CC(=O)C1CCCCC1CC=O Amb25318044 [1,0,0,1,0,0|1,0,0]=3 285 B12R1.283 CC(=O)[C@@H]1CCCC[C@H]1CC=C Amb24655982 [1,0,0,1,0,0|2,0,0]=4 286 B12R1.283 CC(=O)[C@H]1CCCC[C@H]1CC=C Amb24512760 [1,0,0,1,0,0|2,0,0]=4 287 B12R1.283 CNCC1CCCCC1C(O)=O Amb24436013 [1,0,0,1,0,0|2,0,0]=4 288 B12R1.283 NC(=O)C1CCCCC1NC=O Amb24460121 [1,0,0,1,0,0|2,0,0]=4 289 B12R1.283 NC(=O)C1CCCCN1CC=O Amb18806522 [1,0,0,1,0,0|2,0,0]=4 290 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NC=O Amb25366558 [1,0,0,1,0,0|2,0,0]=4 291 B12R1.283 OC(=O)C1CCCCC1CCF Amb25202422 [1,0,0,1,0,0|1,0,1]=4 292 B12R1.283 OC(=O)C1CCCCC1NC=O Amb18647485 [1,0,0,1,0,0|1,0,0]=3 293 B12R1.283 OC(=O)[C@@H]1CCCC[C@@H]1NC=O Amb25339572 [1,0,0,1,0,0|1,0,0]=3 294 B12R1.283 OC(=O)[C@H]1CCCC[C@H]1NC=O Amb24739635 [1,0,0,1,0,0|1,0,0]=3 295 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [1,0,0,1,0,0|1,0,1]=4 296 B12R1.321 OCCCC1CCCCC(=O)N1 Amb18825414 [1,0,0,1,0,0|1,0,1]=4 297 B12R1.386 OC(=O)C1CCCC1CNC=O Amb25328443 [1,0,0,1,0,0|1,0,0]=3 298 B12R1.386 OC(=O)[C@@H]1CCC[C@@H]1CNC=O Amb25775419 [1,0,0,1,0,0|1,0,0]=3 299 B12R1.405 C=CC1CCCCCC1C(O)=O Amb24358015 [1,0,0,1,0,0|1,0,0]=3 300 B12R1.405 C=C[C@H]1CCCCC[C@@H]1C(O)=O Amb25269439 [1,0,0,1,0,0|1,0,0]=3 301 B12R1.405 CCC1CCCCCC1C(O)=O Amb25336577 [1,0,0,1,0,0|1,0,1]=4 302 B12R1.405 CO[C@@H]1CCCCC[C@@H]1C(O)=O Amb25361094 [1,0,0,1,0,0|2,0,0]=4 303 B12R1.405 CO[C@@H]1CCCCC[C@H]1C(O)=O Amb24656000 [1,0,0,1,0,0|2,0,0]=4 304 B12R1.405 CSC1CCCCCC1C(O)=O Amb18967402 [1,0,0,1,0,0|2,0,0]=4 305 B12R1.405 N#CC1CCCCCC1C(O)=O Amb25761465 [1,0,0,1,0,0|1,0,1]=4 306 B12R1.405 OC(=O)C1CCCCCN1C=O Amb25151019 [1,0,0,1,0,0|1,0,0]=3 307 B12R1.405 OC(=O)C1CCCCCN1N=O Amb25700981 [1,0,0,1,0,0|2,0,0]=4 308 B12R1.405 OCC1CCCCCC1C(O)=O Amb25799614 [1,0,0,1,0,0|0,0,1]=3 309 B12R1.407 C=CC1CC(=O)CCCCCC1 Amb25319948 [1,0,0,1,0,0|2,0,0]=4 310 B12R1.407 CC1CCCCCCC(C=O)O1 Amb24578292 [1,0,0,1,0,0|1,0,1]=4 311 B12R1.1335 OC(=O)C1CCCCCCCC1 Amb25034740 [1,0,0,1,0,0|1,0,1]=4 312 B12R1.1335 OC(=O)C1CCCCCCNN1 Amb24574710 [1,0,0,1,0,0|2,0,0]=4 313 B12R1.1343 OC(=O)CCC1CCCCCC1 Amb18825578 [1,0,0,1,0,0|1,0,1]=4 314 B12R1.1343 OC(=O)CCC1CCCCCN1 Amb18198528 [1,0,0,1,0,0|1,0,1]=4 315 B12R1.1343 OC(=O)CCC1CCCCSS1 Amb25326088 [1,0,0,1,0,0|1,1,0]=4 316 B12R1.1392 CC(=O)CC1CCCCCC=C1 Amb25796709 [1,0,0,1,0,0|2,0,0]=4 317 B12R1.1392 OC(=O)CC1CCCCCC=C1 Amb25059238 [1,0,0,1,0,0|1,0,0]=3 318 B12R1.105 OC(=O)CCCC1CCC(=O)N1 Amb18825449 [0,0,0,1,1,0|1,0,0]=3 319 B12R1.206 O=C1CCC(=O)CCCCCC1 Amb25294442 [0,0,0,1,1,0|2,0,0]=4 320 B12R1.206 O=C1CCCCCCC(=O)C=C1 Amb25073405 [0,0,0,1,1,0|2,0,0]=4 321 B12R1.226 NC(=O)CCC1CCCC(=O)N1 Amb25151126 [0,0,0,1,1,0|2,0,0]=4 322 B12R1.226 OC(=O)CCC1CC(=O)CCC1 Amb18647388 [0,0,0,1,1,0|1,0,0]=3 323 B12R1.226 OC(=O)CCC1CCCC(=O)N1 Amb18825448 [0,0,0,1,1,0|1,0,0]=3 324 B12R1.226 OC(=O)CCC1CCCC(=O)O1 Amb24739726 [0,0,0,1,1,0|0,0,0]=2 325 B12R1.226 OC(=O)CC[C@@H]1CC(=O)CCC1 Amb25210806 [0,0,0,1,1,0|1,0,0]=3 326 B12R1.226 OC1CCCC(C1)CCC(O)=O Amb25353026 [0,0,0,1,1,0|1,0,1]=4 327 B12R1.261 CC(=C)C1CCCCC1C(O)=O Amb24341555 [0,0,0,1,1,0|2,0,0]=4 328 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb1113381 [0,0,0,1,1,0|2,0,0]=4 329 B12R1.261 CC(=O)N1CCCC[C@@H]1C(O)=O Amb25715695 [0,0,0,1,1,0|2,0,0]=4 330 B12R1.261 CC(=O)N1CCCC[C@H]1C(O)=O Amb25336488 [0,0,0,1,1,0|2,0,0]=4 331 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb23558931 [0,0,0,1,1,0|1,0,0]=3 332 B12R1.261 CC(=O)[C@H]1CCCCC1C(O)=O Amb24423856 [0,0,0,1,1,0|1,0,0]=3 333 B12R1.261 NC(=O)C1CCCCC1C(N)=O Amb25060662 [0,0,0,1,1,0|2,0,0]=4 334 B12R1.261 NC(=O)C1CCCC[C@H]1C(O)=O Amb25353526 [0,0,0,1,1,0|1,0,0]=3 335 B12R1.261 NC(=O)N1CCCCC1C(=O)O Amb1115531 [0,0,0,1,1,0|2,0,0]=4 336 B12R1.261 NC(=O)N1CCCC[C@@H]1C(O)=O Amb25051531 [0,0,0,1,1,0|2,0,0]=4 337 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(O)=O Amb25225612 [0,0,0,1,1,0|1,0,0]=3 338 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(N)=O Amb25232740 [0,0,0,1,1,0|2,0,0]=4 339 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(O)=O Amb22737172 [0,0,0,1,1,0|1,0,0]=3 340 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(O)=O Amb22737173 [0,0,0,1,1,0|1,0,0]=3 341 B12R1.261 O=C(Cl)[C@@H]1CCCC[C@H]1C(=O)Cl Amb25272780 [0,0,0,1,1,0|2,0,0]=4 342 B12R1.261 OC(=O)C1C=CCCC1C(=O)O Amb17594248 [0,0,0,1,1,0|0,0,2]=4 343 B12R1.261 OC(=O)C1CC=CC[C@@H]1C(O)=O Amb25702673 [0,0,0,1,1,0|0,0,2]=4 344 B12R1.261 OC(=O)C1CCCCC1C(=O)Cl Amb25189632 [0,0,0,1,1,0|1,0,0]=3 345 B12R1.261 OC(=O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,1,0|0,0,0]=2 346 B12R1.261 OC(=O)C1CCCC[C@H]1C(O)=O Amb25329514 [0,0,0,1,1,0|0,0,0]=2 347 B12R1.261 OC(=O)C1OCCOC1C(=O)O Amb17594456 [0,0,0,1,1,0|2,0,0]=4 348 B12R1.261 OC(=O)C=1CCCCC1C(O)=O Amb18647272 [0,0,0,1,1,0|0,0,2]=4 349 B12R1.261 OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O Amb2426049 [0,0,0,1,1,0|0,0,2]=4 350 B12R1.261 OC(=O)[C@@H]1CC=CC[C@H]1C(=O)O Amb10606861 [0,0,0,1,1,0|0,0,2]=4 351 B12R1.261 OC(=O)[C@@H]1CCSC[C@@H]1C(O)=O Amb25269469 [0,0,0,1,1,0|1,0,0]=3 352 B12R1.261 OC(=O)[C@@H]1NCCC[C@@H]1C(O)=O Amb22800779 [0,0,0,1,1,0|1,0,0]=3 353 B12R1.261 OC(=O)[C@H]1C=CCC[C@@H]1C(O)=O Amb25371612 [0,0,0,1,1,0|0,0,2]=4 354 B12R1.261 OC(=O)[C@H]1CCC=C[C@H]1C(O)=O Amb17673651 [0,0,0,1,1,0|0,0,2]=4 355 B12R1.261 OC(=O)[C@H]1CCSC[C@@H]1C(O)=O Amb24652578 [0,0,0,1,1,0|1,0,0]=3 356 B12R1.391 C[C@@]1(O)CCCC[C@H]1CC(O)=O Amb24627167 [0,0,0,1,1,0|1,0,1]=4 357 B12R1.392 CC(=O)C1CCCN1CC(O)=O Amb25275498 [0,0,0,1,1,0|2,0,0]=4 358 B12R1.392 CC(=O)C1CNCC1CC(O)=O Amb25674207 [0,0,0,1,1,0|2,0,0]=4 359 B12R1.392 CC(=O)CC1CCCC1C(O)=O Amb25321925 [0,0,0,1,1,0|1,0,0]=3 360 B12R1.392 CC(=O)CC1CCC[C@@H]1C(C)=O Amb25767030 [0,0,0,1,1,0|2,0,0]=4 361 B12R1.392 CC(=O)N1CCCC1CC(O)=O Amb18957003 [0,0,0,1,1,0|2,0,0]=4 362 B12R1.392 CC(=O)NC1CCCC1C(O)=O Amb25699727 [0,0,0,1,1,0|2,0,0]=4 363 B12R1.392 CC(=O)S[C@@H]1CCC[C@@H]1C(O)=O Amb24511957 [0,0,0,1,1,0|2,0,0]=4 364 B12R1.392 CC(=O)S[C@@H]1CCC[C@H]1C(O)=O Amb25299803 [0,0,0,1,1,0|2,0,0]=4 365 B12R1.392 NC(=O)C1CCCC1CC(O)=O Amb24733998 [0,0,0,1,1,0|1,0,0]=3 366 B12R1.392 NC(=O)CC1CCCC1C(N)=O Amb25672330 [0,0,0,1,1,0|2,0,0]=4 367 B12R1.392 NC(=O)CC1CCCC1C(O)=O Amb24356704 [0,0,0,1,1,0|1,0,0]=3 368 B12R1.392 NC(=O)CC1OCCC1C(O)=O Amb24452399 [0,0,0,1,1,0|2,0,0]=4 369 B12R1.392 NC(=O)C[C@@H]1CCC[C@H]1C(O)=O Amb25233434 [0,0,0,1,1,0|1,0,0]=3 370 B12R1.392 NC(=O)N1CCCC1CC(O)=O Amb18954115 [0,0,0,1,1,0|2,0,0]=4 371 B12R1.392 NC(=O)[C@@H]1CCC[C@H]1CC(O)=O Amb24693984 [0,0,0,1,1,0|1,0,0]=3 372 B12R1.392 NC(=O)[C@H]1CCC[C@H]1CC(O)=O Amb25211235 [0,0,0,1,1,0|1,0,0]=3 373 B12R1.392 OC(=O)C1CCCN1CP(O)=O Amb24497569 [0,0,0,1,1,0|2,0,0]=4 374 B12R1.392 OC(=O)CC1CCC=C1C(O)=O Amb24635841 [0,0,0,1,1,0|0,0,2]=4 375 B12R1.392 OC(=O)CC1CCNC1C(O)=O Amb18127007 [0,0,0,1,1,0|1,0,0]=3 376 B12R1.392 OC(=O)CC1CNCC1C(O)=O Amb25288102 [0,0,0,1,1,0|1,0,0]=3 377 B12R1.392 OC(=O)CC=1CCCC1C(O)=O Amb24697653 [0,0,0,1,1,0|0,0,2]=4 378 B12R1.392 OC(=O)CN1CCCC1C(O)=O Amb24537597 [0,0,0,1,1,0|1,0,0]=3 379 B12R1.392 OC(=O)CN1CCC[C@H]1C(O)=O Amb24513497 [0,0,0,1,1,0|1,0,0]=3 380 B12R1.392 OC(=O)CN1CCC[C@H]1C(O)=O Amb25834004 [0,0,0,1,1,0|1,0,0]=3 381 B12R1.392 OC(=O)C[C@@H]1CCC[C@@H]1C(O)=O Amb25348218 [0,0,0,1,1,0|0,0,0]=2 382 B12R1.392 OC(=O)C[C@H]1CCC[C@H]1C(O)=O Amb24602457 [0,0,0,1,1,0|0,0,0]=2 383 B12R1.392 OC(=O)C[C@H]1CCNC1C(O)=O Amb25069554 [0,0,0,1,1,0|1,0,0]=3 384 B12R1.392 OC(=O)C[C@H]1CCN[C@@H]1C(O)=O Amb25326507 [0,0,0,1,1,0|1,0,0]=3 385 B12R1.392 OC(=O)[C@@H]1CCCN1CP(O)=O Amb24424130 [0,0,0,1,1,0|2,0,0]=4 386 B12R1.874 CC(=O)CC1CC(=O)CCCC1 Amb25319890 [0,0,0,1,1,0|2,0,0]=4 387 B12R1.874 N=C1CCCCC(CC(O)=O)N1 Amb24365918 [0,0,0,1,1,0|2,0,0]=4 388 B12R1.874 OC(=O)CC1CC(=O)CCCC1 Amb25708403 [0,0,0,1,1,0|1,0,0]=3 389 B12R1.874 OC(=O)CC1CC(=O)NCCC1 Amb25322054 [0,0,0,1,1,0|2,0,0]=4 390 B12R1.874 OC(=O)C[C@H]1CC(=O)CCCC1 Amb24471815 [0,0,0,1,1,0|1,0,0]=3 391 B12R1.1011 C=C1CC(CCCCC1)C(O)=O Amb25040409 [0,0,0,1,1,0|2,0,0]=4 392 B12R1.1011 OC(=O)C1CC(=O)CCCCC1 Amb25187509 [0,0,0,1,1,0|1,0,0]=3 393 B12R1.1339 OC(=O)C[C@@H]1CN[C@H]1CC(O)=O Amb22388562 [0,0,0,1,1,0|1,0,0]=3 394 B14R1.814 NC(=O)NC1CCCCC1CC(O)=O Amb24500894 [0,0,0,1,0,1|1,0,0]=3 395 B14R1.814 OC(=O)CC1CCCCC1=CC(O)=O Amb25201531 [0,0,0,1,0,1|0,0,1]=3 396 B14R1.4522 CC(C)=C1CCCCC1CCC(O)=O Amb24694086 [0,0,0,1,0,1|2,0,0]=4 397 B14R1.4522 CC(C)=C1CCCC[C@@H]1CCC(O)=O Amb24438759 [0,0,0,1,0,1|2,0,0]=4 398 B14R1.4522 OC(=O)CCC1CCCCC1C(O)=O Amb18653245 [0,0,0,1,0,1|0,0,0]=2 399 B14R1.4522 OC(=O)CCN1CCCCC1C(=O)O Amb17561170 [0,0,0,1,0,1|0,0,0]=2 400 B14R1.4522 OC(=O)\C=C\C1CCCCC1C(O)=O Amb25784065 [0,0,0,1,0,1|0,0,1]=3 401 B14R1.4522 OC(=O)\C=C\[C@H]1CCCC[C@@H]1C(O)=O Amb24511941 [0,0,0,1,0,1|0,0,1]=3 402 B14R1.4524 CC(=O)NCC1CCCN1CC(O)=O Amb21861018 [0,0,0,1,0,1|2,0,0]=4 403 B14R1.4524 CC(=O)NC[C@@H]1CCCN1CC(O)=O Amb22227181 [0,0,0,1,0,1|2,0,0]=4 404 B14R1.4889 O=C1CCCCCCCCC(=O)CC1 Amb22434392 [0,0,0,1,0,1|2,0,0]=4 405 B14R1.4902 OC(=O)CCC1CCCCCC(=O)N1 Amb18811231 [0,0,0,1,0,1|1,0,0]=3 406 B14R1.4967 OC(=O)C=1CC(=O)CCCCCCC1 Amb24710315 [0,0,0,1,0,1|1,0,1]=4 407 B14R1.4967 OC(=O)C=1CCCCCCCC(O)C1 Amb24366620 [0,0,0,1,0,1|1,0,1]=4 408 B14R1.6315 OC(=O)CCCN1CCCCS1(=O)=O Amb18917680 [0,0,0,1,0,1|1,0,1]=4 409 B14R1.6316 CC(=O)N1CCCC1CNCC(O)=O Amb21860602 [0,0,0,1,0,1|2,0,0]=4 410 B14R1.6316 CC(=O)N1CCCC1COCC(O)=O Amb21861008 [0,0,0,1,0,1|2,0,0]=4 411 B14R1.6316 CC(=O)N1CCC[C@H]1CNCC(O)=O Amb22226830 [0,0,0,1,0,1|2,0,0]=4 412 B14R1.6316 CC(=O)N1CCC[C@H]1COCC(O)=O Amb22224758 [0,0,0,1,0,1|2,0,0]=4 413 B14R1.6325 C=C(Br)CN1CCCCCC1C(O)=O Amb25111092 [0,0,0,1,0,1|2,0,0]=4 414 B14R1.6325 CC(=O)CC1CCCCCN1C(N)=O Amb24641194 [0,0,0,1,0,1|2,0,0]=4 415 B14R1.6325 CC(=O)OC1CCCCCC1C(O)=O Amb25756136 [0,0,0,1,0,1|1,0,0]=3 416 B14R1.6325 CS(=O)NC1CCCCCC1C(O)=O Amb24557585 [0,0,0,1,0,1|2,0,0]=4 417 B14R1.6325 NC(=O)C[C@H]1CCCCC[C@@H]1C(O)=O Amb25210522 [0,0,0,1,0,1|1,0,0]=3 418 B14R1.6325 NC(=O)NC1CCCCCC1C(O)=O Amb25212784 [0,0,0,1,0,1|1,0,0]=3 419 B14R1.6325 OC(=O)CC1CCCCCC1C(O)=O Amb24585789 [0,0,0,1,0,1|0,0,0]=2 420 B14R1.6325 OC(=O)CC=1CCCCCC1C(O)=O Amb25295432 [0,0,0,1,0,1|0,0,1]=3 421 B14R1.6325 OC(=O)C[C@@H]1CCCCC[C@@H]1C(O)=O Amb24597082 [0,0,0,1,0,1|0,0,0]=2 422 B14R1.6412 OC(=O)C1CCC=CCCC1C(O)=O Amb24336596 [0,0,0,1,0,1|0,0,1]=3 423 B14R1.6412 OC(=O)[C@H]1CCCCCC[C@H]1C(O)=O Amb24639168 [0,0,0,1,0,1|0,0,0]=2 424 B14R1.1503 CC(=O)NC1(C)CCCCC1C(O)=O Amb25814144 [0,1,0,1,0,0|2,0,0]=4 425 B14R1.1503 CC1(CC(O)=O)CC=CCC1C(O)=O Amb25701901 [0,1,0,1,0,0|0,0,2]=4 426 B14R1.1503 CC1(CC(O)=O)CCCCC1C(O)=O Amb18130696 [0,1,0,1,0,0|0,0,0]=2 427 B14R1.1503 C[C@@]1(CC(O)=O)CCCC[C@@H]1C(O)=O Amb25309506 [0,1,0,1,0,0|0,0,0]=2 428 B14R1.1503 C[C@]1(CC(O)=O)CCCC[C@@H]1C(O)=O Amb24682661 [0,1,0,1,0,0|0,0,0]=2 429 B14R1.4926 CC1CCCN(CC(N)=O)C1C(O)=O Amb25046486 [0,1,0,1,0,0|2,0,0]=4 430 B14R1.4926 CN1CCNC(CC(O)=O)C1C(O)=O Amb18787235 [0,1,0,1,0,0|2,0,0]=4 431 B14R1.4926 NC1CCCC(CC(O)=O)C1C(O)=O Amb24393451 [0,1,0,1,0,0|0,0,0]=2 432 B14R1.429 CC(=C)C(O)C1CCCCC1C(O)=O Amb25201065 [0,1,0,1,0,0|2,0,0]=4 433 B14R1.429 CC(C(O)=O)N1CCCCC1C(N)=O Amb18294582 [0,1,0,1,0,0|2,0,0]=4 434 B14R1.429 CC(C(O)=O)N1CCCCC1C(O)=O Amb24517587 [0,1,0,1,0,0|1,0,0]=3 435 B14R1.429 CC(N1CCCCC1C(=O)O)C(=O)C Amb17561172 [0,1,0,1,0,0|2,0,0]=4 436 B14R1.429 CC(N1CCCCC1C(=O)O)C(=O)O Amb17561091 [0,1,0,1,0,0|1,0,0]=3 437 B14R1.429 CC([C@H]1CCCC[C@@H]1C(O)=O)C(O)=O Amb24680213 [0,1,0,1,0,0|0,0,0]=2 438 B14R1.429 NC([C@@H]1CC=CC[C@H]1C(O)=O)C(O)=O Amb25176250 [0,1,0,1,0,0|0,0,2]=4 439 B14R1.429 OC(=O)C(=O)N1CCCCC1C(O)=O Amb24337986 [0,1,0,1,0,0|1,0,1]=4 440 B14R1.1499 CC(=C)C1(O)CCCCC1CC(O)=O Amb24440917 [0,1,0,1,0,0|2,0,0]=4 441 B14R1.1499 CC(=O)NC1CCCCC1(C)C(O)=O Amb25786323 [0,1,0,1,0,0|2,0,0]=4 442 B14R1.1499 CC1(CCCC=C1CC(O)=O)C(O)=O Amb18652779 [0,1,0,1,0,0|0,0,2]=4 443 B14R1.1499 CC1(CCCCC1CC(O)=O)C(O)=O Amb18130674 [0,1,0,1,0,0|0,0,0]=2 444 B14R1.1499 CC1(CCCCC1NC(N)=O)C(O)=O Amb25341227 [0,1,0,1,0,0|2,0,0]=4 445 B14R1.1499 CC1(CCCCN1CC(N)=O)C(O)=O Amb25720381 [0,1,0,1,0,0|2,0,0]=4 446 B14R1.1499 C[C@@]1(CC=CC[C@H]1CC(O)=O)C(O)=O Amb24595428 [0,1,0,1,0,0|0,0,2]=4 447 B14R1.1499 C[C@@]1(CCCC[C@H]1CC(O)=O)C(O)=O Amb25240017 [0,1,0,1,0,0|0,0,0]=2 448 B14R1.1499 C[C@]/1(CCCC\C1=C/C(O)=O)C(O)=O Amb25803404 [0,1,0,1,0,0|0,0,2]=4 449 B14R1.1499 OC(=O)CC1CCCCC1(O)C(O)=O Amb25373061 [0,1,0,1,0,0|0,0,0]=2 450 B14R1.1499 OC(=O)C[C@@H]1CCCC[C@]1(O)C(O)=O Amb24584057 [0,1,0,1,0,0|0,0,0]=2 451 B14R1.6355 NC(=O)CCN1CCCC(C1)C(=O)O Amb1090565 [0,1,0,1,0,0|2,0,0]=4 452 B14R1.16337 OC(=O)C=1NC(CCCCN1)C(O)=O Amb25222266 [0,1,0,1,0,0|1,0,1]=4 453 B14R1.129 CC(O)CCC(O)CC1CCC(=O)O1 Amb19747030 [0,1,0,1,0,0|1,0,1]=4 454 B14R1.4894 CC1CCNC(C1CC(O)=O)C(O)=O Amb25792965 [0,1,0,1,0,0|1,0,0]=3 455 B14R1.4894 C[C@H]1CCN[C@@H]([C@H]1CC(O)=O)C(O)=O Amb24640364 [0,1,0,1,0,0|1,0,0]=3 456 B14R1.6072 OC(=O)CCCC1=CC(=O)CCC1C Amb17595183 [0,1,0,1,0,0|1,0,1]=4 457 B14R1.6074 CC1CC(C(O)=O)N(CC(N)=O)CC1 Amb24506839 [0,1,0,1,0,0|2,0,0]=4 458 B14R1.744 C#CC(=O)N1CCCCC1CC(O)=O Amb18281560 [0,1,0,1,0,0|2,0,0]=4 459 B14R1.744 CC(=O)N[C@H]1CCCC[C@@H]1C(=O)OC Amb24675321 [0,1,0,1,0,0|2,0,0]=4 460 B14R1.744 CNC(=O)C1CCCCN1CC(O)=O Amb18979809 [0,1,0,1,0,0|2,0,0]=4 461 B14R1.744 CNC(=O)N1CCCCC1CC(O)=O Amb18951747 [0,1,0,1,0,0|2,0,0]=4 462 B14R1.834 C#CC(=O)NCC1CCCC1C(O)=O Amb25073115 [0,1,0,1,0,0|2,0,0]=4 463 B14R1.834 C#CC(=O)NC[C@H]1CCC[C@H]1C(O)=O Amb25707984 [0,1,0,1,0,0|2,0,0]=4 464 B14R1.834 CNC(=O)NCC1CCCC1C(O)=O Amb24758396 [0,1,0,1,0,0|2,0,0]=4 465 B14R1.834 CNC(=O)NC[C@@H]1CCC[C@@H]1C(O)=O Amb24659992 [0,1,0,1,0,0|2,0,0]=4 466 B14R1.1134 C#CC(=O)N1CCCCCC1C(O)=O Amb25714837 [0,1,0,1,0,0|2,0,0]=4 467 B14R1.1134 C=CC(=O)N1CCCCCC1C(O)=O Amb25698445 [0,1,0,1,0,0|2,0,0]=4 468 B14R1.1134 CNC(=O)N1CCCCCC1C(O)=O Amb25698446 [0,1,0,1,0,0|2,0,0]=4 469 B14R1.1695 OCC1CCCCCCC(S1)C(O)=O Amb24638031 [0,1,0,1,0,0|0,1,1]=4 470 B14R1.3302 CCC(=O)NC1CCCCC1C(O)=O Amb24510578 [0,1,0,1,0,0|2,0,0]=4 471 B14R1.3302 COC(=O)N[C@@H]1CCCC[C@@H]1C(O)=O Amb25309505 [0,1,0,1,0,0|1,0,0]=3 472 B14R1.3302 NCC(=O)NC1CCCCC1C(O)=O Amb23481257 [0,1,0,1,0,0|2,0,0]=4 473 B14R1.4944 CN1C(CCCCC1=O)CCC(O)=O Amb18811230 [0,1,0,1,0,0|1,0,0]=3 474 B14R1.164 CC(=C)CC1CC(C)CCC1C(O)=O Amb25165526 [0,1,0,1,0,0|2,0,0]=4 475 B14R1.164 CC(=O)OC1CC(C)CCC1C(O)=O Amb25063292 [0,1,0,1,0,0|2,0,0]=4 476 B14R1.164 CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(O)=O Amb24512941 [0,1,0,1,0,0|2,0,0]=4 477 B14R1.164 CC(=O)O[C@H]1C[C@H](C)CC[C@H]1C(O)=O Amb24512940 [0,1,0,1,0,0|2,0,0]=4 478 B14R1.164 CC1CNC(C(CC(O)=O)C1)C(O)=O Amb24647725 [0,1,0,1,0,0|1,0,0]=3 479 B14R2.712 CC1CC2C(CCCC2C(O)=O)O1 Amb23454531 [0,0,0,2,0,0|1,0,1]=4 480 B14R2.712 OC(=O)C1CCCC2NC(=O)NC21 Amb25274938 [0,0,0,2,0,0|2,0,0]=4 481 B14R2.5061 OC(=O)CC1C=CC2OC(=O)CC21 Amb25104920 [0,0,0,2,0,0|0,0,2]=4 482 B14R2.5061 OC(=O)CC1CCC2CC(=O)NC12 Amb25752194 [0,0,0,2,0,0|2,0,0]=4 483 B14R2.5061 OC(=O)C[C@H]1CC[C@@H]2OC(=O)C[C@H]12 Amb25299452 [0,0,0,2,0,0|0,0,0]=2 484 B14R2.5061 OC(=O)C[C@H]1CC[C@H]2OC(=O)C[C@@H]12 Amb24670345 [0,0,0,2,0,0|0,0,0]=2 485 B14R2.5061 OC1C[C@H]2[C@H](CC[C@H]2CC(O)=O)O1 Amb24595028 [0,0,0,2,0,0|0,0,2]=4 486 B14R2.24350 OC(=O)C1CCCC2COC(=O)N21 Amb18129498 [0,0,0,2,0,0|2,0,0]=4 487 B14R2.300 OC(=O)C1NCC2CC(=O)CCC21 Amb25091073 [0,0,0,2,0,0|2,0,0]=4 488 B14R2.4476 OC(=O)C1CC1C2CCCC(=O)O2 Amb24658058 [0,0,0,2,0,0|0,0,0]=2 489 B14R2.5006 OC(=O)CC1CC2CC1CC(=O)O2 Amb24490191 [0,0,0,2,0,0|0,0,0]=2 490 B14R2.5006 OC(=O)C[C@H]1C[C@H]2C[C@@H]1CC(=O)O2 Amb24563341 [0,0,0,2,0,0|0,0,0]=2 491 B14R2.8053 OC(=O)[C@@H]1CC[C@@H]2CCOC(=O)[C@@H]21 Amb24512167 [0,0,0,2,0,0|2,0,0]=4 492 B14R2.8053 OC(=O)[C@H]1CC[C@@H]2CCOC(=O)[C@@H]21 Amb25279557 [0,0,0,2,0,0|2,0,0]=4 493 B14R2.20968 O=C1CC2(CCCC(=O)N2)CCC1 Amb24759055 [0,0,0,2,0,0|2,0,0]=4 494 B14R2.20968 O=C1C[C@@]2(CCCC(=O)N2)CCC1 Amb24462809 [0,0,0,2,0,0|2,0,0]=4 495 B14R2.22443 OC(=O)C1CCCCC2CC(=O)N12 Amb24373987 [0,0,0,2,0,0|1,0,0]=3 496 B14R2.22443 OC(=O)[C@@H]1CCCC[C@H]2CC(=O)N12 Amb25299423 [0,0,0,2,0,0|1,0,0]=3 497 B14R2.641 CC(=O)C12CCCCC1NC(=O)O2 Amb24091963 [0,0,0,2,0,0|2,0,0]=4 498 B14R2.641 CC(=O)[C@]12CCCC[C@H]1NC(=O)O2 Amb24366233 [0,0,0,2,0,0|2,0,0]=4 499 B14R2.641 CC=1CC2CCCCC2(N1)C(O)=O Amb25061390 [0,0,0,2,0,0|2,0,0]=4 500 B14R2.25733 OC(=O)C1CC(=O)C2CCCCN12 Amb18823389 [0,0,0,2,0,0|2,0,0]=4 501 B14R2.25733 OC(=O)C1CC(=O)N2CCCCC21 Amb18192117 [0,0,0,2,0,0|2,0,0]=4 502 B14R2.25733 OC(=O)C1NC(=O)N2CCCCC21 Amb24697104 [0,0,0,2,0,0|2,0,0]=4 503 B14R2.31382 CC(=O)N1C2CCC1CC2C(O)=O Amb25054504 [0,0,0,2,0,0|2,0,0]=4 504 B14R2.629 OC(=O)C[C@@]12CC(=O)C[C@@H]1CCC2 Amb25201049 [0,0,0,2,0,0|1,0,0]=3 505 B14R2.629 OC1CC2CCCC2(C1)CC(O)=O Amb24374794 [0,0,0,2,0,0|1,0,1]=4 506 B14R2.629 O[C@@H]1C[C@H]2CCC[C@]2(C1)CC(O)=O Amb24651017 [0,0,0,2,0,0|1,0,1]=4 507 B14R2.30636 OC(=O)C1C(C2CCCC21)C(O)=O Amb25122792 [0,0,0,2,0,0|0,0,0]=2 508 B14R2.30636 OC(=O)[C@H]1[C@@H]([C@@H]2CNC[C@@H]21)C(O)=O Amb24544754 [0,0,0,2,0,0|1,0,0]=3 509 B14R2.31690 CC(=O)OC1CC2CC1C2C(O)=O Amb25139509 [0,0,0,2,0,0|2,0,0]=4 510 B14R2.31690 CC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]2C(O)=O Amb24595751 [0,0,0,2,0,0|2,0,0]=4 511 B14R2.31378 OC(=O)[C@H]1C[C@H]2O[C@H]2C[C@H]1C(O)=O Amb25176357 [0,0,0,2,0,0|1,0,0]=3 512 B14R2.4496 OC(=O)C12CC(=O)CCC1CCC2 Amb24441447 [0,0,0,2,0,0|1,0,0]=3 513 B14R2.4496 OC(=O)[C@@]12CC(=O)CC[C@@H]1CCC2 Amb25328807 [0,0,0,2,0,0|1,0,0]=3 514 B14R2.4496 OC(=O)[C@@]12CC(=O)CC[C@H]1CCC2 Amb25227803 [0,0,0,2,0,0|1,0,0]=3 515 B14R2.4496 OC1CCC2CCCC2(C1)C(O)=O Amb24559144 [0,0,0,2,0,0|1,0,1]=4 516 B14R2.8824 OC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C(=O)N1 Amb24692845 [0,0,0,2,0,0|1,0,0]=3 517 B14R2.13520 OC(=O)CC1CC(=O)N2CCCC21 Amb18823374 [0,0,0,2,0,0|2,0,0]=4 518 B14R2.31326 OC(=O)C1CC2CC1CC2C(O)=O Amb24743366 [0,0,0,2,0,0|0,0,0]=2 519 B14R2.31326 OC(=O)[C@@H]1CC2CC1C[C@H]2C(O)=O Amb25363171 [0,0,0,2,0,0|0,0,0]=2 520 B10R0.97 C=C(F)CCCCCC(O)=O Amb22641493 [0,0,0,0,2,0|2,0,0]=4 521 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [0,0,0,0,2,0|2,0,0]=4 522 B10R0.97 CC(O)CCCCCC(O)=O Amb24117232 [0,0,0,0,2,0|1,0,1]=4 523 B10R0.97 ClC(=O)CCCCCC(=O)Cl Amb13777316 [0,0,0,0,2,0|2,0,0]=4 524 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [0,0,0,0,2,0|2,0,0]=4 525 B10R0.97 OC(=O)CCCSCC(=O)O Amb17501146 [0,0,0,0,2,0|1,0,0]=3 526 B10R0.97 OC(=O)CCOCCC(O)=O Amb24057717 [0,0,0,0,2,0|1,0,0]=3 527 B10R0.97 OC(=O)CSCSCC(=O)O Amb1144944 [0,0,0,0,2,0|2,0,0]=4 528 B10R0.97 [O-][N+](=O)CCCCCC(O)=O Amb22347935 [0,0,0,0,2,0|1,0,1]=4 529 B14R0.68 C=C(F)CCCCCCCCCC(O)=O Amb22641506 [0,0,0,0,0,2|2,0,0]=4 530 B14R0.68 CC(=O)OCCCCCCCOC(C)=O Amb24325329 [0,0,0,0,0,2|2,0,0]=4 531 B14R0.68 OC(=O)CCCCCCCCCC(=O)O Amb10807546 [0,0,0,0,0,2|0,0,0]=2 532 B14R0.68 OC(=O)CCSCCCSCCC(O)=O Amb21953077 [0,0,0,0,0,2|0,0,0]=2 533 B14R0.68 OC(=O)COCCOCCOCC(=O)O Amb16184481 [0,0,0,0,0,2|1,0,0]=3