0 B13R0.54 BrCCCCCCCCCCC(=O)N Amb16207966 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.54 CCCCCCCCCC=CC(=O)O Amb13952752 [0,0,0,0,0,0|0,0,4]=4 2 B13R0.54 CCCCCCCCCCCC(=C)Br Amb19886460 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.54 CCCCCCCCCCCC(=N)N Amb10568321 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.54 CCCCCCCCCCCC(=S)N Amb13953232 [0,0,0,0,0,0|1,1,2]=4 5 B13R0.54 CCCCCCCCCCCC(C)=C Amb19886457 [0,0,0,0,0,0|2,0,2]=4 6 B13R0.54 CCCCCCCCCCCC(O)=O Amb22348404 [0,0,0,0,0,0|0,0,2]=2 7 B13R0.54 CCCCCCCCCCCC(O)=O Amb22730643 [0,0,0,0,0,0|0,0,2]=2 8 B13R0.54 CCCCCCCCCCCC([O-])=O Amb17942849 [0,0,0,0,0,0|0,0,3]=3 9 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22729066 [0,0,0,0,0,0|0,0,3]=3 10 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730602 [0,0,0,0,0,0|0,0,3]=3 11 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730786 [0,0,0,0,0,0|0,0,3]=3 12 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731774 [0,0,0,0,0,0|0,0,3]=3 13 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731775 [0,0,0,0,0,0|0,0,3]=3 14 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22733752 [0,0,0,0,0,0|0,0,3]=3 15 B13R0.54 CCCCCCCCCCC[13C](O)=O Amb21928681 [0,0,0,0,0,0|0,0,2]=2 16 B13R0.54 CCCCCCCCCCC[14C](O)=O Amb22349630 [0,0,0,0,0,0|0,0,2]=2 17 B13R0.54 CCCCCCCCCCNC(=O)N Amb2228230 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.54 CCCCCCCCCC[13CH2]C(O)=O Amb22353612 [0,0,0,0,0,0|0,0,2]=2 20 B13R0.54 CCCCCCCCCC[13CH2][13C](O)=O Amb22353611 [0,0,0,0,0,0|0,0,2]=2 21 B13R0.54 CCCCCCCCSCCC(=O)N Amb10669601 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,0,0,0,0,0|1,0,2]=3 23 B13R0.54 CCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22353609 [0,0,0,0,0,0|0,0,2]=2 24 B13R0.54 CCCCCCC\C=C\COC(C)=O Amb22730835 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.54 CCCCCC\C=C/CCCC(O)=O Amb20672025 [0,0,0,0,0,0|0,0,0]=0 26 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,0,0,0,0,0|1,0,2]=3 27 B13R0.54 N#CCCCCCCCCCC(O)=O Amb22547629 [0,0,0,0,0,0|1,0,3]=4 28 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,0,0,0,0,0|2,0,2]=4 29 B13R0.54 NCCCCCCCCCCC([O-])=O Amb22353821 [0,0,0,0,0,0|1,0,3]=4 30 B13R0.54 OCCCCCCCCCCC(=O)O Amb1814707 [0,0,0,0,0,0|1,0,2]=3 31 B13R0.54 [13CH3]CCCCCCCCCCC(O)=O Amb22353502 [0,0,0,0,0,0|0,0,2]=2 32 B13R0.54 [13CH3]CCCCCCCCCC[13C](O)=O Amb22353610 [0,0,0,0,0,0|0,0,2]=2 33 B12R0.5 CCCCCCCCCCC[13CH2]O Amb22362751 [1,0,0,0,0,0|0,0,3]=4 34 B12R0.5 CCCCCC\C=C/CCCCO Amb22740006 [1,0,0,0,0,0|0,0,1]=2 35 B12R0.5 CCCCCC\C=C\CCCCO Amb22740007 [1,0,0,0,0,0|0,0,1]=2 36 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [1,0,0,0,0,0|0,0,3]=4 37 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [1,0,0,0,0,0|0,0,3]=4 38 B12R0.234 CCCCCCCC/C=C/C(O)=O Amb17942922 [1,0,0,0,0,0|0,0,3]=4 39 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [1,0,0,0,0,0|1,0,2]=4 40 B12R0.234 CCCCCCCCCOC(=O)Cl Amb22732385 [1,0,0,0,0,0|2,0,1]=4 41 B12R0.234 CCCCCCC\C=C\CC(C)=O Amb21963229 [1,0,0,0,0,0|1,0,2]=4 42 B12R0.234 CCCCCC\C=C\COC(C)=O Amb22231667 [1,0,0,0,0,0|2,0,0]=3 43 B12R0.234 CCCCC\C=C/CCC=C(F)F Amb22436926 [1,0,0,0,0,0|2,0,1]=4 44 B12R0.234 CCCCC\C=C\CCC=C(F)F Amb22436927 [1,0,0,0,0,0|2,0,1]=4 45 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [1,0,0,0,0,0|1,0,1]=3 46 B12R0.234 NCCOCCOCCCC(=O)O Amb16184328 [1,0,0,0,0,0|3,0,0]=4 47 B12R0.234 NCCOCCSCCCC(=O)O Amb17502011 [1,0,0,0,0,0|3,0,0]=4 48 B14R0.2 CC(=O)NCCC(=O)NCCCCCC Amb21786855 [0,1,0,0,0,0|3,0,0]=4 49 B14R0.2 CCCCCOCC(=O)NCCC(O)=O Amb25391963 [0,1,0,0,0,0|2,0,1]=4 50 B14R0.2 CCCCSCCC(=O)NCCC(O)=O Amb25391980 [0,1,0,0,0,0|2,0,1]=4 51 B14R0.2 CCSCCCNC(=O)NCCC(O)=O Amb24775420 [0,1,0,0,0,0|3,0,0]=4 52 B14R0.68 CC(C)CCCCCCCCCC(O)=O Amb21928797 [0,1,0,0,0,0|0,0,2]=3 53 B14R0.88 CCCCCCCCCCCP(O)(O)=O Amb22388785 [0,1,0,0,0,0|1,0,2]=4 54 B14R0.305 CCC(C)CCCCCCCCC(O)=O Amb21928795 [0,1,0,0,0,0|0,0,2]=3 55 B14R0.337 CCCCCCCCCCCC(=O)NC Amb22043375 [0,1,0,0,0,0|1,0,2]=4 56 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,1,0,0,0,0|1,0,2]=4 57 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,1,0,0,0,0|1,0,2]=4 58 B14R0.340 CCCCCCCCCCC(N)C(O)=O Amb21858489 [0,1,0,0,0,0|0,0,2]=3 59 B14R0.340 CCCCCCCCCC[C@@H](N)C(O)=O Amb22745407 [0,1,0,0,0,0|0,0,2]=3 60 B14R0.344 CCCCCCCCC(C)CCC(O)=O Amb22347578 [0,1,0,0,0,0|0,0,2]=3 61 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,1,0,0,0,0|1,0,2]=4 62 B14R0.344 CCCCCCCNC(=O)CCC(=O)O Amb1771111 [0,1,0,0,0,0|1,0,2]=4 63 B14R0.391 CCCCCCCCCC(O)CC(O)=O Amb21928747 [0,1,0,0,0,0|0,0,2]=3 64 B14R0.391 CCCCCCC\C=C\C(O)CC(O)=O Amb22831937 [0,1,0,0,0,0|0,0,2]=3 65 B14R0.391 CCCCC\C=C\C=C\C(O)CC(O)=O Amb22831944 [0,1,0,0,0,0|0,0,2]=3 66 B14R0.391 CCCCC\C=C\CCC(O)CC(O)=O Amb22831938 [0,1,0,0,0,0|0,0,2]=3 67 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,1,0,0,0,0|0,0,3]=4 68 B14R0.394 CCCCCCCCCCCCC(=O)Cl Amb22353030 [0,1,0,0,0,0|1,0,2]=4 69 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [0,1,0,0,0,0|1,0,2]=4 70 B14R0.394 CCCCCCCCCCCCC(N)=O Amb22359815 [0,1,0,0,0,0|1,0,2]=4 71 B14R0.394 CCCCCCCCCC\C=C\C(O)=O Amb22734282 [0,1,0,0,0,0|0,0,3]=4 72 B14R0.394 OC(=O)CCCCCCCCCCCS Amb22350627 [0,1,0,0,0,0|0,0,2]=3 73 B14R0.2224 CCCCCNC(=O)NCCCC(=O)O Amb17043004 [0,1,0,0,0,0|2,0,0]=3 74 B14R0.2224 COCCCCC(=O)NCCCC(O)=O Amb25392005 [0,1,0,0,0,0|2,0,0]=3 75 B14R1.96 CCC1CCCCN1CCCC(=O)Cl Amb17143700 [0,0,0,1,0,0|2,0,1]=4 76 B14R1.96 CCC1CCCCN1CCCC(=O)N Amb17143194 [0,0,0,1,0,0|2,0,1]=4 77 B14R1.122 CCCCCCCCC1CCC(=O)O1 Amb10071536 [0,0,0,1,0,0|0,0,2]=3 78 B14R1.159 CC1CSCCN1CCCCC(O)=O Amb25386602 [0,0,0,1,0,0|2,0,1]=4 79 B14R1.333 OC1CCCCCCC1CCC(O)=O Amb24378159 [0,0,0,1,0,0|1,0,2]=4 80 B14R1.422 NC(=O)CCCCCC1CCCCC1 Amb22340011 [0,0,0,1,0,0|1,0,2]=4 81 B14R1.422 OC(=O)CCCC#CC1CCCCC1 Amb25774995 [0,0,0,1,0,0|0,0,2]=3 82 B14R1.422 OC(=O)CCCCCC1CCCCC1 Amb22230076 [0,0,0,1,0,0|0,0,2]=3 83 B14R1.422 OC(=O)CCCSCC1CCCNC1 Amb17503127 [0,0,0,1,0,0|2,0,1]=4 84 B14R1.422 OC(=O)CCCSCC1CCNCC1 Amb17503028 [0,0,0,1,0,0|2,0,1]=4 85 B14R1.498 CSCC1CCCN1CCCC(O)=O Amb25387490 [0,0,0,1,0,0|2,0,1]=4 86 B14R1.653 CCCCC1CCC=CCCC(=O)N1 Amb24443708 [0,0,0,1,0,0|1,0,2]=4 87 B14R1.653 OCCCC1CC=CCCCC(=O)O1 Amb25136300 [0,0,0,1,0,0|1,0,0]=2 88 B14R1.786 CCCCN1CCCCC1CC(O)=O Amb19056735 [0,0,0,1,0,0|1,0,2]=4 89 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,0,0,1,0,0|1,0,2]=4 90 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,0,0,1,0,0|0,0,2]=3 91 B14R1.5254 CCCN1CCCCCCC1C(O)=O Amb25354108 [0,0,0,1,0,0|1,0,2]=4 92 B14R1.6335 OC(=O)CCN1CCCCCCCC1 Amb25298722 [0,0,0,1,0,0|1,0,2]=4 93 B14R1.6343 OC(=O)CCCCN1CCNCCC1 Amb17479032 [0,0,0,1,0,0|2,0,1]=4 94 B14R1.6343 OC(=O)CNCCN1CCCCCC1 Amb20573254 [0,0,0,1,0,0|2,0,1]=4 95 B14R1.6343 OC(=O)CSCCN1CCCCCC1 Amb21988835 [0,0,0,1,0,0|2,0,1]=4 96 B14R1.6414 OC(=O)C1CC=CCCCCCCC1 Amb24498139 [0,0,0,1,0,0|0,0,2]=3 97 B14R1.6444 OC(=O)CC1CCCCCCCCC1 Amb25125214 [0,0,0,1,0,0|0,0,2]=3 98 B11R0.3 CCCCCCCCCC[13CH]=[13CH2] Amb22351201 [2,0,0,0,0,0|1,0,1]=4 99 B11R0.3 CCCCCCCCOCC=O Amb18807440 [2,0,0,0,0,0|1,0,1]=4 100 B11R0.3 CCCCCC\C=C\C=C\C=O Amb16233007 [2,0,0,0,0,0|0,0,2]=4 101 B11R0.3 CCCCCC\C=C\C=C\CO Amb22732394 [2,0,0,0,0,0|0,0,2]=4 102 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [2,0,0,0,0,0|0,0,1]=3 103 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [2,0,0,0,0,0|1,0,1]=4 104 B11R0.148 C#CCCCCCCCC(O)=O Amb22388895 [2,0,0,0,0,0|0,0,2]=4 105 B11R0.148 CCCC=CCCCCC(O)=O Amb24063196 [2,0,0,0,0,0|0,0,2]=4 106 B11R0.148 CCCCC=CCCCC(O)=O Amb24062906 [2,0,0,0,0,0|0,0,0]=2 107 B11R0.148 CCCCCC=CCCC(O)=O Amb24079160 [2,0,0,0,0,0|0,0,0]=2 108 B11R0.148 CCCCCCCCCC([O-])=O Amb22733551 [2,0,0,0,0,0|0,0,1]=3 109 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [2,0,0,0,0,0|0,0,0]=2 110 B11R0.148 CCCCCCCCC[C@H](C)O Amb20240616 [2,0,0,0,0,0|1,0,1]=4 111 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [2,0,0,0,0,0|2,0,0]=4 112 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [2,0,0,0,0,0|0,0,0]=2 113 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [2,0,0,0,0,0|1,0,0]=3 114 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [2,0,0,0,0,0|0,0,0]=2 115 B11R0.148 CCCCC\C=C\CCC(=O)O Amb17594266 [2,0,0,0,0,0|0,0,0]=2 116 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [2,0,0,0,0,0|1,0,0]=3 117 B11R0.148 CCC\C=C\CCCCC(O)=O Amb22411539 [2,0,0,0,0,0|0,0,2]=4 118 B11R0.148 CCNCCOCCCC(O)=O Amb18110845 [2,0,0,0,0,0|2,0,0]=4 119 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [2,0,0,0,0,0|2,0,0]=4 120 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [2,0,0,0,0,0|1,0,1]=4 121 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [2,0,0,0,0,0|0,0,0]=2 122 B13R0.66 CCCCC\C=C\CC(CCCC)O Amb10564673 [1,1,0,0,0,0|1,0,1]=4 123 B13R0.1 CCCCCNC(=O)NCCC(=O)O Amb17042891 [1,1,0,0,0,0|2,0,0]=4 124 B13R0.1 COCCCCC(=O)NCCC(O)=O Amb25387598 [1,1,0,0,0,0|2,0,0]=4 125 B13R0.1 CSCCCCC(=O)NCCC(O)=O Amb25387540 [1,1,0,0,0,0|2,0,0]=4 126 B13R0.150 CC(CCCCCCCCO)C(O)=O Amb20246737 [1,1,0,0,0,0|1,0,1]=4 127 B13R0.150 CCCCCCCCCC(C)C(O)=O Amb18320092 [1,1,0,0,0,0|0,0,1]=3 128 B13R0.150 CCCCCCCCCC(O)C(O)=O Amb22224801 [1,1,0,0,0,0|0,0,1]=3 129 B13R0.154 CCCCCCCC(O)CCC(O)=O Amb22058992 [1,1,0,0,0,0|0,0,1]=3 130 B13R0.154 CCCCCCCC(O)CCC([O-])=O Amb19148937 [1,1,0,0,0,0|0,0,2]=4 131 B13R0.154 CCCCCCNC(=O)CCC(=O)N Amb17143236 [1,1,0,0,0,0|2,0,0]=4 132 B13R0.179 CC(C)CCCCCCCCC(O)=O Amb21928890 [1,1,0,0,0,0|0,0,1]=3 133 B13R0.179 CC(CCCCCCCCC(=O)O)N Amb2229643 [1,1,0,0,0,0|0,0,1]=3 134 B13R0.179 OC(=O)CCC\C=C/CCCC(=O)O Amb1005866 [1,1,0,0,0,0|1,0,1]=4 135 B13R0.188 CSCCCC(=O)NCCCC(O)=O Amb18411872 [1,1,0,0,0,0|2,0,0]=4 136 B13R0.202 CCC(C)CCCCCCCC(O)=O Amb21928874 [1,1,0,0,0,0|0,0,1]=3 137 B13R0.202 CCC(CCCCCCCC(=O)O)N Amb2229644 [1,1,0,0,0,0|0,0,1]=3 138 B13R0.202 OC(=O)CCCCCCCC(F)CBr Amb22547613 [1,1,0,0,0,0|1,0,1]=4 139 B13R0.280 CCCCCCCCCCS(O)(=O)=O Amb22348234 [1,1,0,0,0,0|1,0,1]=4 140 B13R0.335 CCCCCCCCC(O)CC(O)=O Amb21928763 [1,1,0,0,0,0|0,0,1]=3 141 B13R0.335 CCCCCC\C=C\C(O)CC(O)=O Amb22831935 [1,1,0,0,0,0|0,0,0]=2 142 B13R0.335 CCCC\C=C\C=C\C(O)CC(O)=O Amb22831942 [1,1,0,0,0,0|0,0,2]=4 143 B13R0.335 CC\C=C\CC\C=C\C(O)CC(O)=O Amb22831943 [1,1,0,0,0,0|0,0,2]=4 144 B15R0.329 CCCCOCC(=O)N(C)CCCC(O)=O Amb24780851 [0,2,0,0,0,0|2,0,0]=4 145 B15R0.329 COCCCCC(=O)N(C)CCCC(O)=O Amb24780863 [0,2,0,0,0,0|2,0,0]=4 146 B15R0.367 CCCCOCCNC(=O)NCCC(O)=O Amb25394668 [0,2,0,0,0,0|2,0,0]=4 147 B15R0.371 CCCCCC(NC(=O)CCCC(=O)O)C Amb1887698 [0,2,0,0,0,0|1,0,0]=3 148 B15R0.247 CCC(C)CCCCCCCCCC(O)=O Amb21928889 [0,2,0,0,0,0|0,0,2]=4 149 B15R0.247 COC(=O)CCCCCCCCCC(C)C Amb21928849 [0,2,0,0,0,0|0,0,2]=4 150 B15R0.5184 CC(C)CCCNC(=O)NCCCC(O)=O Amb24779147 [0,2,0,0,0,0|2,0,0]=4 151 B15R0.5184 CC(C)CCSCC(=O)NCCCC(O)=O Amb24780750 [0,2,0,0,0,0|2,0,0]=4 152 B15R0.5184 CC(C)OCCCC(=O)NCCCC(O)=O Amb24782812 [0,2,0,0,0,0|2,0,0]=4 153 B15R0.193 CCCCOCC(=O)NCCCCC(O)=O Amb24780687 [0,2,0,0,0,0|1,0,1]=4 154 B15R0.193 CCCCOCC(=O)NCCSCC(O)=O Amb24781136 [0,2,0,0,0,0|2,0,0]=4 155 B15R0.193 CCOCCCC(=O)NCCSCC(O)=O Amb24781143 [0,2,0,0,0,0|2,0,0]=4 156 B15R0.193 COCCCCC(=O)NCCSCC(O)=O Amb24781124 [0,2,0,0,0,0|2,0,0]=4 157 B15R0.193 NCCCCCC(=O)CCCCCC(O)=O Amb22347546 [0,2,0,0,0,0|1,0,1]=4 158 B15R0.3196 CCCCOC(C)C(=O)NCCCC(O)=O Amb24780751 [0,2,0,0,0,0|2,0,0]=4 159 B15R0.3196 CCCCSC(C)C(=O)NCCCC(O)=O Amb24781066 [0,2,0,0,0,0|2,0,0]=4 160 B15R0.172 CCC(C)CCCCCCCCC(=O)OC Amb21928848 [0,2,0,0,0,0|0,0,2]=4 161 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [0,2,0,0,0,0|0,0,2]=4 162 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [0,2,0,0,0,0|0,0,2]=4 163 B15R0.81 NCCCCCCCCCCCC(=O)OC Amb17608040 [0,2,0,0,0,0|0,0,2]=4 164 B15R0.84 CCCCCCCCCCCC(O)C(O)=O Amb22730439 [0,2,0,0,0,0|0,0,2]=4 165 B15R0.324 CCCCCCCCCCC(Br)C(=O)OC Amb17673704 [0,2,0,0,0,0|0,0,2]=4 166 B15R0.324 CCCCCCCCCCC(O)C(=O)OC Amb21928821 [0,2,0,0,0,0|0,0,2]=4 167 B15R0.366 CCCCCCC=CCCCC(=O)OCC Amb24066550 [0,2,0,0,0,0|0,0,0]=2 168 B15R0.366 CCCCCCCCCCCC(=O)OC=C Amb17938955 [0,2,0,0,0,0|0,0,2]=4 169 B15R0.3221 CCCCCCCCCC(O)CC(=O)OC Amb21928822 [0,2,0,0,0,0|0,0,2]=4 170 B15R0.1626 CCCCCCCCCCC(C(=O)O)(C)C Amb10565362 [0,2,0,0,0,0|0,0,2]=4 171 B15R0.1626 [2H]C([2H])(CCCCCCCCCC)C(O)=O Amb21928683 [0,2,0,0,0,0|0,0,2]=4 172 B15R0.1997 CCCCCCCCCCC(CC)C(O)=O Amb24084099 [0,2,0,0,0,0|0,0,2]=4 173 B15R0.1927 CCCCOCC(=O)NC(C)CCC(O)=O Amb24781552 [0,2,0,0,0,0|2,0,0]=4 174 B15R0.1927 COCCCCC(=O)NC(C)CCC(O)=O Amb24781554 [0,2,0,0,0,0|2,0,0]=4 175 B15R0.69 CCCCCCCCCCC(O)CC(O)=O Amb21928762 [0,2,0,0,0,0|0,0,2]=4 176 B15R0.187 CCCCOCC(=O)NCC(C)CC(O)=O Amb24781606 [0,2,0,0,0,0|2,0,0]=4 177 B15R0.187 COCCCCC(=O)NCC(C)CC(O)=O Amb24781608 [0,2,0,0,0,0|2,0,0]=4 178 B15R0.129 CCCCCOCC(=O)NCCCC(O)=O Amb24781007 [0,2,0,0,0,0|1,0,0]=3 179 B15R0.129 CCCCSCCC(=O)NCCCC(O)=O Amb24780777 [0,2,0,0,0,0|1,0,0]=3 180 B15R0.129 COCCCCNC(=O)CCCCC(O)=O Amb25394331 [0,2,0,0,0,0|1,0,1]=4 181 B15R0.129 COCCOCCC(=O)NCCCC(O)=O Amb24780843 [0,2,0,0,0,0|2,0,0]=4 182 B15R0.164 C#CCCCCCCCCCCCC(O)=O Amb22642011 [0,2,0,0,0,0|0,0,2]=4 183 B15R0.164 CCCCCCCCCCCCC[13C](O)=O Amb22351789 [0,2,0,0,0,0|0,0,2]=4 184 B15R0.164 CCCCCCCCCCCC[13CH2][13C](O)=O Amb22338404 [0,2,0,0,0,0|0,0,2]=4 185 B15R0.164 CCCCCCCCCCNCCC(O)=O Amb20630815 [0,2,0,0,0,0|0,0,2]=4 186 B15R0.164 CCCCCCCCCCNCCC(O)=O Amb22059078 [0,2,0,0,0,0|0,0,2]=4 187 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [0,2,0,0,0,0|0,0,2]=4 188 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [0,2,0,0,0,0|0,0,2]=4 189 B15R0.164 CCCCCC\C=C\CCCCOC(C)=O Amb22730203 [0,2,0,0,0,0|1,0,0]=3 190 B15R0.164 CCCC\C=C\CCCCCCCC(O)=O Amb22350221 [0,2,0,0,0,0|0,0,2]=4 191 B15R0.164 CNCCCCCCCCCCCC(O)=O Amb22350069 [0,2,0,0,0,0|0,0,2]=4 192 B15R0.164 OCCCCCCCCCCCCC(O)=O Amb21935785 [0,2,0,0,0,0|0,0,2]=4 193 B15R0.164 ONCCCCCCCCCCCC(O)=O Amb22364339 [0,2,0,0,0,0|0,0,2]=4 194 B15R0.164 [13CH3]CCCCCCCCCCCCC(O)=O Amb22367443 [0,2,0,0,0,0|0,0,2]=4 195 B15R0.222 CC(C)CCCCCCCCCCC(O)=O Amb19747078 [0,2,0,0,0,0|0,0,2]=4 196 B15R0.4652 CCCC(O)CNC(=O)NCCCC(O)=O Amb24997416 [0,2,0,0,0,0|2,0,0]=4 197 B13R1.28 O=CCCCC#CC1CCCCC1 Amb24722872 [1,0,0,1,0,0|0,0,2]=4 198 B13R1.119 CCCCCC\C=C\C1OCCO1 Amb25703092 [1,0,0,1,0,0|1,0,1]=4 199 B13R1.203 OC1CCCC=CCCCCC1O Amb24431764 [1,0,0,1,0,0|1,0,1]=4 200 B13R1.229 OCCC1CC=CCCCCCC1 Amb25287105 [1,0,0,1,0,0|0,0,1]=3 201 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [1,0,0,1,0,0|0,0,2]=4 202 B13R1.555 CCCCCCC1CCCCC1=O Amb19045128 [1,0,0,1,0,0|0,0,2]=4 203 B13R1.654 CC#CCCC\C=C/1\CCCC1=O Amb24620080 [1,0,0,1,0,0|0,0,2]=4 204 B13R1.654 CCCCC#C\C=C/1\CCCC1=O Amb25190530 [1,0,0,1,0,0|0,0,2]=4 205 B13R1.654 CCCCCCCN1CCCC1=O Amb20621393 [1,0,0,1,0,0|1,0,1]=4 206 B13R1.27 CCCCCCCC1CCC(=O)O1 Amb1154110 [1,0,0,1,0,0|0,0,1]=3 207 B13R1.90 CCC1CCCCN1CCC(O)=O Amb21955365 [1,0,0,1,0,0|1,0,1]=4 208 B13R1.158 CC1=CCCCC1=CCCC(O)=O Amb24745869 [1,0,0,1,0,0|0,0,2]=4 209 B13R1.158 CC1CCCCC1=NOCC(O)=O Amb25707161 [1,0,0,1,0,0|2,0,0]=4 210 B13R1.158 CC1CSCCN1CCCC(O)=O Amb24768864 [1,0,0,1,0,0|2,0,0]=4 211 B13R1.158 CC=1CCCCC1\C=C\CC(O)=O Amb25363247 [1,0,0,1,0,0|0,0,2]=4 212 B13R1.224 CCCC1CCCCCC1C(O)=O Amb24377494 [1,0,0,1,0,0|0,0,1]=3 213 B13R1.224 CCSC1CCCCCC1C(O)=O Amb18303070 [1,0,0,1,0,0|1,0,1]=4 214 B13R1.226 OCCC1CCCCCCC(=O)O1 Amb25284567 [1,0,0,1,0,0|1,0,1]=4 215 B13R1.280 CC1CCCCCC1NCC(O)=O Amb24466628 [1,0,0,1,0,0|1,0,1]=4 216 B13R1.280 CC=1CCCCCC1CCC(O)=O Amb24391509 [1,0,0,1,0,0|0,0,2]=4 217 B13R1.280 CN1CCCCCC1CCC(O)=O Amb18191306 [1,0,0,1,0,0|1,0,1]=4 218 B13R1.337 OC(=O)CCC=C=C1CCCCC1 Amb25362292 [1,0,0,1,0,0|0,0,2]=4 219 B13R1.337 OC(=O)CCCCC1CCCCC1 Amb22336378 [1,0,0,1,0,0|0,0,1]=3 220 B13R1.337 OC(=O)CCCCN1CCCCC1 Amb19373622 [1,0,0,1,0,0|1,0,1]=4 221 B13R1.337 OC(=O)CCCSC1CCNCC1 Amb17502196 [1,0,0,1,0,0|2,0,0]=4 222 B13R1.380 CCCC1CCCCC1CC(O)=O Amb22339365 [1,0,0,1,0,0|0,0,1]=3 223 B13R1.380 CCCN1CCCCC1CC(O)=O Amb18304879 [1,0,0,1,0,0|1,0,1]=4 224 B13R1.380 CCOC1CCCCC1CC(O)=O Amb18191219 [1,0,0,1,0,0|1,0,1]=4 225 B13R1.380 N#CCC1CC=CCC1CC(O)=O Amb25054555 [1,0,0,1,0,0|1,0,1]=4 226 B13R1.486 OCCCC1CCCCCC(=O)O1 Amb24569922 [1,0,0,1,0,0|1,0,1]=4 227 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [1,0,0,1,0,0|1,0,1]=4 228 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [1,0,0,1,0,0|1,0,1]=4 229 B13R1.610 CCC1CCCCCN1CC(O)=O Amb24349311 [1,0,0,1,0,0|1,0,1]=4 230 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(O)=O Amb18191310 [1,0,0,1,0,0|1,0,1]=4 231 B13R1.610 COC1CCCCCC1CC(O)=O Amb18822015 [1,0,0,1,0,0|1,0,1]=4 232 B13R1.610 OCC1CCCCCC1CC(O)=O Amb25101626 [1,0,0,1,0,0|1,0,1]=4 233 B13R1.614 CCC1CCCCCCC1C(O)=O Amb24710104 [1,0,0,1,0,0|0,0,1]=3 234 B13R1.1009 OC(=O)C1CCC=CCCCCC1 Amb25039409 [1,0,0,1,0,0|0,0,0]=2 235 B13R1.1009 OC(=O)C1CCCCCCCCC1 Amb25061287 [1,0,0,1,0,0|0,0,1]=3 236 B13R1.1009 OC(=O)C1CCCCNCCCC1 Amb24365928 [1,0,0,1,0,0|1,0,1]=4 237 B13R1.1022 CC(=O)CCC1CCCCCCC1 Amb25120339 [1,0,0,1,0,0|1,0,1]=4 238 B13R1.1022 CC(=O)NCC=1CCCCCCC1 Amb24072839 [1,0,0,1,0,0|2,0,0]=4 239 B13R1.1022 OC(=O)CCN1CCCCCCC1 Amb21955684 [1,0,0,1,0,0|1,0,1]=4 240 B13R1.1022 OC(=O)CNC1CCCCCC=C1 Amb25277891 [1,0,0,1,0,0|1,0,0]=3 241 B13R1.1022 OC(=O)CSC1CCCCCC=C1 Amb25075314 [1,0,0,1,0,0|1,0,0]=3 242 B13R1.1022 OC(=O)CSC1CCCCCCC1 Amb25725888 [1,0,0,1,0,0|1,0,1]=4 243 B13R1.1107 OC(=O)CC1CCCCCCCC1 Amb25279551 [1,0,0,1,0,0|0,0,1]=3 244 B13R1.1107 OC(=O)CN1CCCCCCCC1 Amb25169064 [1,0,0,1,0,0|1,0,1]=4 245 B13R1.1988 CC(=O)NCCC=1CCCCCC1 Amb24371803 [1,0,0,1,0,0|2,0,0]=4 246 B13R1.1988 NC(=O)NCCC=1CCCCCC1 Amb25266279 [1,0,0,1,0,0|2,0,0]=4 247 B13R1.1988 OC(=O)CCCN1CCCCCC1 Amb10072744 [1,0,0,1,0,0|1,0,0]=3 248 B13R1.1988 OC(=O)CCNC1=NCCCCC1 Amb1052796 [1,0,0,1,0,0|2,0,0]=4 249 B13R1.1988 OC(=O)\C=C/C=C1CCCCCC1 Amb25784034 [1,0,0,1,0,0|0,0,2]=4 250 B13R1.3816 CN1CCCCCCCC1C(O)=O Amb25365310 [1,0,0,1,0,0|1,0,1]=4 251 B13R1.3816 NC1CCCCCCCC1C(O)=O Amb24436959 [1,0,0,1,0,0|1,0,1]=4 252 B15R1.503 O=C(CCC1CCCC1)NCCC(=O)O Amb1137305 [0,1,0,1,0,0|1,0,1]=4 253 B15R1.503 OC(=O)CCNC(=O)NCC1CCCC1 Amb24770463 [0,1,0,1,0,0|2,0,0]=4 254 B15R1.1081 CN(CC1CCCCC1)CCCC(O)=O Amb24771174 [0,1,0,1,0,0|1,0,1]=4 255 B15R1.1081 O=C(NC1CCCCC1)CCCC(=O)O Amb1863935 [0,1,0,1,0,0|1,0,0]=3 256 B15R1.1081 O=C(NC1CCCCC1)COCC(=O)O Amb1841415 [0,1,0,1,0,0|2,0,0]=4 257 B15R1.1081 O=C(NC1CCCCC1)NCCC(=O)O Amb1110737 [0,1,0,1,0,0|2,0,0]=4 258 B15R1.4618 CCC1CCCN1C(=O)NCCC(O)=O Amb19010772 [0,1,0,1,0,0|2,0,0]=4 259 B15R1.5876 CC1CCCC1NC(=O)CSCC(O)=O Amb25391365 [0,1,0,1,0,0|2,0,0]=4 260 B15R1.7530 CCCC1CC1NC(=O)NCCC(O)=O Amb24774286 [0,1,0,1,0,0|2,0,0]=4 261 B15R1.8019 CC1CCCCC1N(C)CCCC(O)=O Amb24771479 [0,1,0,1,0,0|1,0,1]=4 262 B15R1.8019 CC1CCCCN1C(=O)COCC(O)=O Amb19012636 [0,1,0,1,0,0|2,0,0]=4 263 B15R1.8019 CC1CCCCN1C(=O)NCCC(O)=O Amb18973115 [0,1,0,1,0,0|2,0,0]=4 264 B15R1.23877 CCSCCCNC(=O)C1CC1C(O)=O Amb24775419 [0,1,0,1,0,0|2,0,0]=4 265 B15R1.23877 COCCCCNC(=O)C1CC1C(O)=O Amb24771972 [0,1,0,1,0,0|2,0,0]=4 266 B15R1.31246 O=C(N1CCCCCC1)CCCC(=O)O Amb1119287 [0,1,0,1,0,0|1,0,0]=3 267 B15R1.31246 O=C(N1CCCCCC1)COCC(=O)O Amb1826869 [0,1,0,1,0,0|2,0,0]=4 268 B15R1.31246 O=C(N1CCCCCC1)NCCC(=O)O Amb17042896 [0,1,0,1,0,0|2,0,0]=4 269 B15R1.31246 OC(=O)CCNC(=O)C1CCCCCC1 Amb19025823 [0,1,0,1,0,0|1,0,1]=4 270 B15R1.504 OC(=O)CCNCCCC1CCCCC1 Amb25617474 [0,1,0,1,0,0|0,0,2]=4 271 B15R1.8290 CC1CCCC(C)N1CCCCC(O)=O Amb25388897 [0,1,0,1,0,0|1,0,1]=4 272 B15R1.8958 OC(=O)CCNCCC1CCCCCC1 Amb25617443 [0,1,0,1,0,0|0,0,2]=4 273 B15R1.8958 OC(=O)CCNCCN1CCCCCC1 Amb20573203 [0,1,0,1,0,0|1,0,1]=4 274 B15R1.8958 OC(=O)CCSCCN1CCCCCC1 Amb21988845 [0,1,0,1,0,0|1,0,1]=4 275 B15R1.8958 OC(=O)CNCCCN1CCCCCC1 Amb20573289 [0,1,0,1,0,0|1,0,1]=4 276 B15R1.123 CC1CCCN(CCCCC(O)=O)C1C Amb24772535 [0,1,0,1,0,0|1,0,1]=4 277 B15R1.6326 CCCCCCCCC1CC1C(=O)NO Amb1077218 [0,1,0,1,0,0|0,0,2]=4 278 B15R1.9036 OC(=O)C1CCCCCCCCCCC1 Amb22347939 [0,1,0,1,0,0|0,0,2]=4 279 B15R1.106 CCCCCCCCC1CCCC(=O)O1 Amb22732769 [0,1,0,1,0,0|0,0,2]=4 280 B15R1.3525 OCCCCCCN1CCCC1C(O)=O Amb25389707 [0,1,0,1,0,0|1,0,1]=4 281 B15R1.3525 OCCCCCCN1CCC[C@H]1C(O)=O Amb25389692 [0,1,0,1,0,0|1,0,1]=4 282 B15R1.8920 OC(=O)CCCCN1CCCCCCC1 Amb25388898 [0,1,0,1,0,0|0,0,2]=4 283 B15R1.497 CN(CCCCC(O)=O)C1CCCCC1 Amb25388896 [0,1,0,1,0,0|1,0,1]=4 284 B15R1.497 O=C(C1CCCCC1)NCCCC(=O)O Amb1112140 [0,1,0,1,0,0|1,0,0]=3 285 B15R1.497 O=C(N1CCCCC1)NCCCC(=O)O Amb17042959 [0,1,0,1,0,0|2,0,0]=4 286 B15R1.497 OC(=O)CCCNC(=O)C1CCCCO1 Amb24772574 [0,1,0,1,0,0|2,0,0]=4 287 B15R1.507 O=C(CC1CCCC1)NCCCC(=O)O Amb1114159 [0,1,0,1,0,0|1,0,0]=3 288 B15R1.507 O=C(NC1CCCC1)NCCCC(=O)O Amb17042958 [0,1,0,1,0,0|2,0,0]=4 289 B15R1.1651 CCC1CCN1C(=O)NCCCC(O)=O Amb24996172 [0,1,0,1,0,0|2,0,0]=4 290 B15R1.3995 CCCCCC1C(CCC1=O)CC(=O)O Amb10843401 [0,1,0,1,0,0|0,0,1]=3 291 B15R1.5858 CC1CCCN1C(=O)NCCCC(O)=O Amb18305668 [0,1,0,1,0,0|2,0,0]=4 292 B15R1.7493 CCOC1CC1C(=O)NCCCC(O)=O Amb25392007 [0,1,0,1,0,0|2,0,0]=4 293 B15R1.8158 CC1CC1CNC(=O)CCCCC(O)=O Amb25391683 [0,1,0,1,0,0|1,0,1]=4 294 B15R1.8158 CC1CC1CNC(=O)NCCCC(O)=O Amb25391653 [0,1,0,1,0,0|2,0,0]=4 295 B15R1.8334 CC1CCC1NC(=O)NCCCC(O)=O Amb24776194 [0,1,0,1,0,0|2,0,0]=4 296 B15R1.9032 OC(=O)CCCNC(=O)NCC1CCC1 Amb24770455 [0,1,0,1,0,0|2,0,0]=4 297 B15R2.1117 O=C1CCCC(CCC2CCCC2)=C1 Amb25190693 [0,0,0,2,0,0|1,0,1]=4 298 B15R2.7124 O=C1CCCC(=C1)C2CCCCCC2 Amb25096985 [0,0,0,2,0,0|1,0,1]=4 299 B15R2.6 OC(=O)CCC1CCC2CCCCC12 Amb25312671 [0,0,0,2,0,0|0,0,2]=4 300 B15R2.1668 OC(=O)CC1CC2CCCCC2CC1 Amb24373950 [0,0,0,2,0,0|0,0,2]=4 301 B15R2.1668 OC(=O)C[C@@H]1C[C@H]2CCCC[C@@H]2CC1 Amb24711360 [0,0,0,2,0,0|0,0,2]=4 302 B15R2.5367 CCC1CCCN1C2CCC2C(O)=O Amb24383682 [0,0,0,2,0,0|1,0,1]=4 303 B15R2.283 O=C1NC(CS1)\C=C\C2CCCCC2 Amb25165774 [0,0,0,2,0,0|2,0,0]=4 304 B15R2.283 O=C1N[C@@H](CS1)\C=C\C2CCCCC2 Amb24711549 [0,0,0,2,0,0|2,0,0]=4 305 B15R2.1660 OC(=O)CCC1CC2CCCCC2N1 Amb17673616 [0,0,0,2,0,0|1,0,1]=4 306 B15R2.1660 OC(=O)CCC1CC2CCCCC2O1 Amb24449491 [0,0,0,2,0,0|1,0,1]=4 307 B15R2.8792 CC1CCCCN1C2CCC2C(O)=O Amb24395541 [0,0,0,2,0,0|1,0,1]=4 308 B15R2.69021 CC12CCCCC1CCCC2C(O)=O Amb24710285 [0,0,0,2,0,0|0,0,2]=4 309 B15R2.1238 OC(=O)CCCC1=NC2CCCC2O1 Amb18812524 [0,0,0,2,0,0|2,0,0]=4 310 B15R2.63 OC(=O)C1CCCC1C2CCCCC2 Amb24593453 [0,0,0,2,0,0|0,0,2]=4 311 B15R2.63 OC(=O)C1CCNC1C2CCCCC2 Amb18636230 [0,0,0,2,0,0|1,0,1]=4 312 B15R2.63 OC(=O)C1CCOC1C2CCCCC2 Amb24743032 [0,0,0,2,0,0|1,0,1]=4 313 B15R2.63 OC(=O)[C@@H]1CCCN1C2CCCCC2 Amb24182112 [0,0,0,2,0,0|1,0,1]=4 314 B15R2.63 OC(=O)[C@@H]1CCN[C@H]1C2CCCCC2 Amb18812230 [0,0,0,2,0,0|1,0,1]=4 315 B15R2.63 OC(=O)[C@H]1CCCN1C2CCCCC2 Amb25858160 [0,0,0,2,0,0|1,0,1]=4 316 B15R2.1243 OC(=O)C1CCCC1CC2CCCC2 Amb24521628 [0,0,0,2,0,0|0,0,2]=4 317 B15R2.1243 OC(=O)C1CCCN1CC2CCCC2 Amb18292075 [0,0,0,2,0,0|1,0,1]=4 318 B15R2.1243 OC(=O)[C@H]1CCCN1CC2CCCC2 Amb24421374 [0,0,0,2,0,0|1,0,1]=4 319 B15R2.69020 OC(=O)C1CCCC2CCCCCC21 Amb25804077 [0,0,0,2,0,0|0,0,2]=4 320 B15R2.69020 OC(=O)C1CCCN2CCCCC[C@@H]21 Amb18812238 [0,0,0,2,0,0|1,0,1]=4 321 B15R2.69020 OC(=O)C1CCC[C@H]2CCCCC[C@@H]21 Amb24540297 [0,0,0,2,0,0|0,0,2]=4 322 B15R2.68695 OC(=O)C1C[C@H]2CCCCCC2CC1 Amb25102539 [0,0,0,2,0,0|0,0,2]=4 323 B15R2.68695 OC(=O)C1C[C@H]2CCCCC[C@@H]2CC1 Amb24692945 [0,0,0,2,0,0|0,0,2]=4 324 B15R2.68695 OC(=O)[C@@H]1C[C@H]2CCCCC[C@@H]2CC1 Amb25241235 [0,0,0,2,0,0|0,0,2]=4 325 B15R2.68695 OC(=O)[C@H]1C[C@H]2CCCCC[C@@H]2CC1 Amb24651019 [0,0,0,2,0,0|0,0,2]=4 326 B15R2.68695 OC(=O)[C@H]1C[C@H]2CCCCC[C@H]2CC1 Amb25176116 [0,0,0,2,0,0|0,0,2]=4 327 B15R2.111 OC(=O)CC1CCCC12CCCCC2 Amb25101729 [0,0,0,2,0,0|0,0,2]=4 328 B15R2.1241 OC(=O)C1CCC1CC2CCCCC2 Amb24349493 [0,0,0,2,0,0|0,0,2]=4 329 B15R2.1241 OC(=O)C1CCC1NC2CCCCC2 Amb24658888 [0,0,0,2,0,0|1,0,1]=4 330 B15R2.1241 OC(=O)C1CCC1SC2CCCCC2 Amb25355153 [0,0,0,2,0,0|1,0,1]=4 331 B15R2.68122 OC(=O)CC1CCOC2CCCCC12 Amb18188030 [0,0,0,2,0,0|1,0,1]=4 332 B15R2.110 OC(=O)CC1CCCCC12CCCC2 Amb24406382 [0,0,0,2,0,0|0,0,2]=4 333 B15R2.1221 OC(=O)C1CCCCC1C2CCCC2 Amb25791841 [0,0,0,2,0,0|0,0,2]=4 334 B15R2.7273 O=C1CCCCC(CC2CCCC2)=C1 Amb25186597 [0,0,0,2,0,0|1,0,1]=4 335 B15R2.67715 OC(=O)C12CC=CCC1CCCCC2 Amb24724706 [0,0,0,2,0,0|0,0,2]=4 336 B15R2.69067 OC(=O)C1CCCCCC1C2CCC2 Amb25683022 [0,0,0,2,0,0|0,0,2]=4 337 B15R2.1428 CCCCC1OC(=O)C2CCCCC21 Amb24608757 [0,0,0,2,0,0|0,0,2]=4 338 B15R2.50423 OC(=O)CC12CC=CCC1CCC2=O Amb25349377 [0,0,0,2,0,0|1,0,1]=4 339 B15R2.69618 OC(=O)CC12CCCCC1CCC=C2 Amb25758773 [0,0,0,2,0,0|0,0,2]=4 340 B15R2.69618 OC(=O)CC12CCCCC1CCCC2 Amb25287267 [0,0,0,2,0,0|0,0,2]=4 341 B15R2.69618 OC(=O)C[C@@]12CCCC[C@@H]1CCCC2 Amb25825664 [0,0,0,2,0,0|0,0,2]=4 342 B15R2.83023 OC(=O)CC1CCN2CCCCCC21 Amb18812221 [0,0,0,2,0,0|1,0,1]=4