0 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,0,0,0,0,0|0,0,4]=4 4 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,0,0,0,0,0|0,0,4]=4 5 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,0,0,0,0,0|1,0,3]=4 7 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,0,0,0,0,0|0,0,2]=2 9 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,0,0,0,0,0|1,0,2]=3 10 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [0,0,0,0,0,0|1,2,1]=4 11 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,0,0,0,0,0|2,0,1]=3 12 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,0,0,0,0,0|1,0,1]=2 13 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,0,0,0,0,0|0,0,0]=0 14 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,0,0,0,0,0|1,0,3]=4 16 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,0,0,0,0,0|1,0,2]=3 17 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,0,0,0,0,0|1,0,2]=3 18 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,0,0,0,0,0|1,0,2]=3 19 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,0,0,0,0,0|1,0,2]=3 20 B12R0.234 O=C(O)\C=C\CCCCCCCO Amb33757093 [0,0,0,0,0,0|1,0,0]=1 21 B11R0.3 C=CCCCCCCCCCC Amb3940486 [1,0,0,0,0,0|1,0,2]=4 22 B11R0.3 CCCCCCCCCCCO Amb6646062 [1,0,0,0,0,0|0,0,3]=4 23 B11R0.3 CCCCCCCCNCCO Amb7757629 [1,0,0,0,0,0|1,0,2]=4 24 B11R0.3 CCCCCCCCOCCO Amb9787110 [1,0,0,0,0,0|1,0,2]=4 25 B11R0.3 CCCCCCCCSCCO Amb33531593 [1,0,0,0,0,0|1,0,2]=4 26 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [1,0,0,0,0,0|0,0,0]=1 27 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [1,0,0,0,0,0|0,0,1]=2 28 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [1,0,0,0,0,0|1,0,2]=4 30 B11R0.148 C#CCCCCCCCC(=O)O Amb22388895 [1,0,0,0,0,0|0,0,3]=4 31 B11R0.148 C#CCCCCC\C=C\C(=O)O Amb2609438 [1,0,0,0,0,0|0,0,2]=3 32 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [1,0,0,0,0,0|2,0,1]=4 33 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [1,0,0,0,0,0|2,0,1]=4 34 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.148 C=CCCCCCCCC(=O)O Amb2686677 [1,0,0,0,0,0|0,0,3]=4 36 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,0,0,0,0,0|1,0,1]=3 37 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,0,0,0,0,0|0,0,1]=2 38 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,0,0,0,0,0|1,0,1]=3 39 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,0,0,0,0,0|1,0,1]=3 40 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [1,0,0,0,0,0|1,1,1]=4 41 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [1,0,0,0,0,0|2,0,1]=4 42 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [1,0,0,0,0,0|1,0,2]=4 43 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [1,0,0,0,0,0|2,0,1]=4 44 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,0,0,0,0,0|2,0,0]=3 45 B11R0.148 CCCCCCCCNC(N)=S Amb1152183 [1,0,0,0,0,0|2,1,0]=4 46 B11R0.148 CCCCCCCCOC(=O)Cl Amb8515453 [1,0,0,0,0,0|2,0,0]=3 47 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,0,0,0,0,0|2,0,0]=3 48 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,0,0,0,0,0|1,0,1]=3 49 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,0,0,0,0,0|1,0,1]=3 50 B11R0.148 CCCCCCC\C=C\B(O)O Amb33513070 [1,0,0,0,0,0|1,0,1]=3 51 B11R0.148 CCCCCCC\C=C\C(=O)O Amb6336657 [1,0,0,0,0,0|0,0,0]=1 52 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,0,0,0,0,0|1,0,1]=3 53 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [1,0,0,0,0,0|2,0,1]=4 54 B11R0.148 CCCCC\C=C\CCC(=O)O Amb24079160 [1,0,0,0,0,0|0,0,3]=4 55 B11R0.148 CCCCOCCOCC(=O)O Amb9204477 [1,0,0,0,0,0|2,0,1]=4 56 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,0,0,0,0,0|1,0,1]=3 57 B11R0.148 CCC\C=C\CCCCC(=O)O Amb24063196 [1,0,0,0,0,0|0,0,3]=4 58 B11R0.148 CCNCCOCCCC(=O)O Amb18110845 [1,0,0,0,0,0|2,0,1]=4 59 B11R0.148 CCOCCOCCCC(=O)O Amb6262117 [1,0,0,0,0,0|2,0,1]=4 60 B11R0.148 CNCCCNCCCC(=O)O Amb28963363 [1,0,0,0,0,0|2,0,1]=4 61 B11R0.148 CNCCCNCCCC(=O)O Amb33470189 [1,0,0,0,0,0|2,0,1]=4 62 B11R0.148 COCCOCCCCC(=O)O Amb9207792 [1,0,0,0,0,0|2,0,1]=4 63 B11R0.148 NCCCCSCCCC(=O)O Amb17500972 [1,0,0,0,0,0|2,0,1]=4 64 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,0,0,0,0,0|1,0,1]=3 65 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,0,0,0,0,0|1,0,1]=3 66 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,1,0,0,0,0|0,0,3]=4 67 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,1,0,0,0,0|1,0,2]=4 68 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,1,0,0,0,0|0,0,2]=3 69 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,1,0,0,0,0|0,0,3]=4 70 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,1,0,0,0,0|0,0,3]=4 71 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,1,0,0,0,0|1,0,2]=4 72 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,1,0,0,0,0|1,0,2]=4 73 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,1,0,0,0,0|0,0,0]=1 74 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,1,0,0,0,0|0,0,0]=1 75 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,1,0,0,0,0|0,0,2]=3 76 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,1,0,0,0,0|0,0,2]=3 77 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,1,0,0,0,0|1,0,2]=4 78 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,1,0,0,0,0|0,0,2]=3 79 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,1,0,0,0,0|0,0,3]=4 80 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,1,0,0,0,0|1,0,2]=4 81 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,1,0,0,0,0|0,0,2]=3 82 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,1,0,0,0,0|0,0,2]=3 83 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,1,0,0,0,0|0,0,2]=3 84 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,1,0,0,0,0|0,0,2]=3 85 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,1,0,0,0,0|0,0,2]=3 86 B13R0.119 CCCCC(=O)CCCCCC(=O)O Amb6305233 [0,1,0,0,0,0|0,0,3]=4 87 B13R0.147 C=CC(=O)OCCCCCCCCC Amb20670989 [0,1,0,0,0,0|2,0,1]=4 88 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,1,0,0,0,0|1,0,2]=4 89 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,1,0,0,0,0|0,0,2]=3 90 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,1,0,0,0,0|2,0,1]=4 91 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,1,0,0,0,0|1,0,2]=4 92 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,1,0,0,0,0|1,0,2]=4 93 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,1,0,0,0,0|1,0,2]=4 94 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,1,0,0,0,0|0,0,2]=3 95 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,1,0,0,0,0|0,0,2]=3 96 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,1,0,0,0,0|0,0,2]=3 97 B13R0.150 CCCCCCCCNC(=O)C(=O)O Amb28653366 [0,1,0,0,0,0|1,0,0]=2 98 B13R0.154 CCCCCCCC(=O)NCC(=O)O Amb3998086 [0,1,0,0,0,0|1,0,2]=4 99 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,1,0,0,0,0|0,0,3]=4 100 B13R0.154 CCCCCCNC(=O)\C=C\C(=O)O Amb2763148 [0,1,0,0,0,0|1,0,1]=3 101 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,1,0,0,0,0|0,0,2]=3 102 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [0,1,0,0,0,0|0,0,3]=4 103 B13R0.202 COC(=O)CCCCC\C=C\C(=O)O Amb33038190 [0,1,0,0,0,0|1,0,1]=3 104 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,1,0,0,0,0|1,0,2]=4 105 B13R0.280 CCCCCCCCCCP(=O)(O)O Amb9786421 [0,1,0,0,0,0|1,0,2]=4 106 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,1,0,0,0,0|0,0,2]=3 107 B13R0.335 CCCCCCCOC(=O)CC(C)=O Amb9787148 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,0,0,1,0,0|0,0,2]=3 109 B13R1.27 CCCCCCCn1ccc(N)n1 Amb18181455 [0,0,0,1,0,0|3,0,0]=4 110 B13R1.27 CCCCCNCc1ccc(C)o1 Amb6688089 [0,0,0,1,0,0|2,0,1]=4 111 B13R1.90 CCC1CCCCC1OCC(=O)O Amb6281025 [0,0,0,1,0,0|1,0,1]=3 112 B13R1.90 CCC1CCCCC1\C=C\C(=O)O Amb27626367 [0,0,0,1,0,0|0,0,0]=1 113 B13R1.90 CCC1CCCCC1\C=C\C(C)Cl Amb27464841 [0,0,0,1,0,0|2,0,1]=4 114 B13R1.90 CCC1CCCCC1\C=N\S(C)=O Amb35722105 [0,0,0,1,0,0|3,0,0]=4 115 B13R1.90 CCC1CCCCN1CCC(=O)O Amb21955365 [0,0,0,1,0,0|1,0,2]=4 116 B13R1.90 CCC1CCCCN1CCC(=O)O Amb5760925 [0,0,0,1,0,0|1,0,2]=4 117 B13R1.90 CCC1CCCCN1\C=C\C(=O)O Amb27415872 [0,0,0,1,0,0|1,0,0]=2 118 B13R1.90 CCC1COCCN1\C=C\C(=O)O Amb27883692 [0,0,0,1,0,0|2,0,0]=3 119 B13R1.90 COC1CCCCC1NCC(=O)O Amb9640481 [0,0,0,1,0,0|2,0,1]=4 120 B13R1.90 O=C(O)\C=C\N1CCCCC1CO Amb27480175 [0,0,0,1,0,0|2,0,0]=3 121 B13R1.90 O=C(O)\C=C\N1CCSCC1CO Amb27472276 [0,0,0,1,0,0|3,0,0]=4 122 B13R1.103 CCC1COCC1N\C=C\C(=O)O Amb35613320 [0,0,0,1,0,0|2,0,0]=3 123 B13R1.103 CCC1COC\C1=C/C=C/C(=O)O Amb35631911 [0,0,0,1,0,0|1,0,2]=4 124 B13R1.103 CSC1CCCC1N\C=C\C(=O)O Amb27776670 [0,0,0,1,0,0|2,0,0]=3 125 B13R1.103 O=C(O)\C=C\NC1CCCC1CO Amb27869096 [0,0,0,1,0,0|2,0,0]=3 126 B13R1.103 O=C(O)\C=C\N[C@H]1CCC[C@H]1CO Amb27659512 [0,0,0,1,0,0|2,0,0]=3 127 B13R1.158 CC(=O)\C=C\CC1CCCCC1=O Amb26570833 [0,0,0,1,0,0|2,0,1]=4 128 B13R1.158 CC1CCCCC1NCCC(=O)O Amb7755666 [0,0,0,1,0,0|1,0,2]=4 129 B13R1.158 CC1CCCCN1CCCC(=O)O Amb5761440 [0,0,0,1,0,0|1,0,2]=4 130 B13R1.158 CC1COCCN1C\C=C\C(=O)O Amb18988790 [0,0,0,1,0,0|2,0,0]=3 131 B13R1.158 CC1COCC\C1=C/C=C/C(=O)O Amb27952534 [0,0,0,1,0,0|1,0,2]=4 132 B13R1.158 CC1SCCC\C1=C/C=C/C(=O)O Amb27486767 [0,0,0,1,0,0|1,0,2]=4 133 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [0,0,0,1,0,0|1,0,2]=4 134 B13R1.158 CN1CCCCC1CNCC(=O)O Amb18313080 [0,0,0,1,0,0|2,0,1]=4 135 B13R1.158 CN1CCCCC1COCC(=O)O Amb8010336 [0,0,0,1,0,0|2,0,1]=4 136 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [0,0,0,1,0,0|1,0,2]=4 137 B13R1.279 O=C1C=CCCCCCCCC=C1 Amb28141306 [0,0,0,1,0,0|1,0,1]=3 138 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,0,0,1,0,0|1,0,2]=4 139 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,0,0,1,0,0|1,0,2]=4 140 B13R1.279 O=C1CNCCCCCCCCN1 Amb27240963 [0,0,0,1,0,0|2,0,1]=4 141 B13R1.280 CC(=O)\C=C\C1=CCCCCC1C Amb27212470 [0,0,0,1,0,0|1,0,2]=4 142 B13R1.280 CC1CCCCCN1\C=C\C(=O)O Amb27415974 [0,0,0,1,0,0|1,0,0]=2 143 B13R1.280 CC1COCCCN1\C=C\C(=O)O Amb28056230 [0,0,0,1,0,0|2,0,0]=3 144 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [0,0,0,1,0,0|1,0,2]=4 145 B13R1.280 O=C(O)CNC1CCCCCC1O Amb28315346 [0,0,0,1,0,0|2,0,1]=4 146 B13R1.280 O=C(O)CSC1CCCCCC1O Amb27401645 [0,0,0,1,0,0|2,0,1]=4 147 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,0,0,1,0,0|1,0,2]=4 148 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,0,0,1,0,0|1,0,2]=4 149 B13R1.337 CC(=O)\C=C\C=C\C1CCCCC1 Amb28283149 [0,0,0,1,0,0|1,0,2]=4 150 B13R1.337 CC(=O)\C=C\CCN1CCOCC1 Amb33324097 [0,0,0,1,0,0|3,0,0]=4 151 B13R1.337 NC(=O)CNCCC1CCCCC1 Amb13952496 [0,0,0,1,0,0|2,0,1]=4 152 B13R1.337 O=C(O)C#CCCC1CCCCC1 Amb27947677 [0,0,0,1,0,0|0,0,2]=3 153 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,0,0,1,0,0|0,0,2]=3 154 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,0,0,1,0,0|1,0,2]=4 155 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [0,0,0,1,0,0|1,0,2]=4 156 B13R1.337 O=C(O)CCCCC1CCOCC1 Amb33229243 [0,0,0,1,0,0|1,0,2]=4 157 B13R1.337 O=C(O)CCCCN1CCCCC1 Amb19373622 [0,0,0,1,0,0|1,0,2]=4 158 B13R1.337 O=C(O)CCCSC1CCCCC1 Amb32411477 [0,0,0,1,0,0|1,0,2]=4 159 B13R1.337 O=C(O)CCNCC1CCCCC1 Amb8830821 [0,0,0,1,0,0|1,0,2]=4 160 B13R1.337 O=C(O)CCSCC1CCCCC1 Amb6260195 [0,0,0,1,0,0|1,0,2]=4 161 B13R1.337 O=C(O)CNCCN1CCCCC1 Amb9325913 [0,0,0,1,0,0|2,0,1]=4 162 B13R1.337 O=C(O)COCCC1CCCCN1 Amb18628209 [0,0,0,1,0,0|2,0,1]=4 163 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33620646 [0,0,0,1,0,0|2,0,1]=4 164 B13R1.337 O=C(O)COCCN1CCCCC1 Amb33732301 [0,0,0,1,0,0|2,0,1]=4 165 B13R1.337 O=C(O)CSCCN1CCCCC1 Amb6745655 [0,0,0,1,0,0|2,0,1]=4 166 B13R1.337 O=C(O)\C=C/C#CC1CCCCC1 Amb27179207 [0,0,0,1,0,0|0,0,2]=3 167 B13R1.337 O=C(O)\C=C\C=C\C1CCCCC1 Amb27444584 [0,0,0,1,0,0|0,0,2]=3 168 B13R1.337 O=C(O)\C=C\C=C\C1CCCCO1 Amb35634611 [0,0,0,1,0,0|1,0,2]=4 169 B13R1.337 O=C(O)\C=C\C=C\C1CCCOC1 Amb28366583 [0,0,0,1,0,0|1,0,2]=4 170 B13R1.337 O=C(O)\C=C\C=C\C1CCNCC1 Amb27983708 [0,0,0,1,0,0|1,0,2]=4 171 B13R1.337 O=C(O)\C=C\CCC1CCCCC1 Amb33470091 [0,0,0,1,0,0|0,0,0]=1 172 B13R1.337 O=C(O)\C=C\CCN1CCOCC1 Amb33326152 [0,0,0,1,0,0|2,0,0]=3 173 B13R1.337 O=C(O)\C=C\COC1CCOCC1 Amb18308411 [0,0,0,1,0,0|2,0,0]=3 174 B13R1.337 O=C(O)\C=C\NCC1CCCOC1 Amb27851212 [0,0,0,1,0,0|2,0,0]=3 175 B13R1.337 O=C(O)\C=C\NCC1CCCSC1 Amb27607269 [0,0,0,1,0,0|2,0,0]=3 176 B13R1.337 O=C(O)\C=C\NCC1CCSCC1 Amb27247856 [0,0,0,1,0,0|2,0,0]=3 177 B13R1.337 O=C(O)\C=C\NCC1COCCO1 Amb27628785 [0,0,0,1,0,0|3,0,0]=4 178 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,0,0,1,0,0|0,0,2]=3 179 B13R1.343 O=C(O)CCCCCN1CCCC1 Amb32953909 [0,0,0,1,0,0|1,0,2]=4 180 B13R1.343 O=C(O)CCCCOC1CCCC1 Amb9207783 [0,0,0,1,0,0|1,0,2]=4 181 B13R1.343 O=C(O)CNCCCN1CCCC1 Amb19058449 [0,0,0,1,0,0|2,0,1]=4 182 B13R1.380 CCCC1CCCCC1NC(N)=O Amb28051036 [0,0,0,1,0,0|2,0,1]=4 183 B13R1.380 COCC1CCCCN1CC(=O)O Amb21865524 [0,0,0,1,0,0|2,0,1]=4 184 B13R1.380 O=C(O)CN1CCCCC1CCO Amb6651199 [0,0,0,1,0,0|2,0,1]=4 185 B13R1.572 CCCCC1CCCNC1C(=O)O Amb33500830 [0,0,0,1,0,0|1,0,1]=3 186 B13R1.572 CCCCC1CCNCC1C(=O)O Amb33500858 [0,0,0,1,0,0|1,0,2]=4 187 B13R1.572 CCCCC1CNCCC1C(=O)O Amb33500839 [0,0,0,1,0,0|1,0,2]=4 188 B13R1.572 CCCCC1NCCCC1C(=O)O Amb33500838 [0,0,0,1,0,0|1,0,2]=4 189 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,0,0,1,0,0|1,0,2]=4 190 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,0,0,1,0,0|1,0,2]=4 191 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,0,0,1,0,0|0,0,2]=3 192 B13R1.610 CCC1CCCCCC1NC(C)=O Amb2227899 [0,0,0,1,0,0|2,0,1]=4 193 B13R1.610 CCC1CCCCCN1CC(C)=O Amb28250568 [0,0,0,1,0,0|2,0,1]=4 194 B13R1.610 CCC1CCCCC\C1=C/C(=O)O Amb35721261 [0,0,0,1,0,0|0,0,0]=1 195 B13R1.610 CCC1CCCCC\C1=C/C(C)=O Amb35734056 [0,0,0,1,0,0|1,0,0]=2 196 B13R1.610 CCC1CCCCC\C1=C/C(C)O Amb35672745 [0,0,0,1,0,0|1,0,1]=3 197 B13R1.610 CCC1CCCCC\C1=N/S(C)=O Amb35722115 [0,0,0,1,0,0|3,0,0]=4 198 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(=O)O Amb18191310 [0,0,0,1,0,0|1,0,2]=4 199 B13R1.610 CC[C@H]1CCCCC[C@@H]1NC(C)=O Amb27969225 [0,0,0,1,0,0|2,0,1]=4 200 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [0,0,0,1,0,0|1,0,2]=4 201 B13R1.614 CCN1CCCCCCC1C(=O)O Amb28249659 [0,0,0,1,0,0|1,0,2]=4 202 B13R1.670 CCCCCn1nncc1C(=O)O Amb17535386 [0,0,0,1,0,0|3,0,0]=4 203 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,0,0,1,0,0|1,0,1]=3 204 B13R1.1022 CC(=O)\N=C\C1CCCCCCC1 Amb26953639 [0,0,0,1,0,0|2,0,0]=3 205 B13R1.1022 CS(=O)\N=C\C1CCCCCCC1 Amb35693132 [0,0,0,1,0,0|3,0,0]=4 206 B13R1.1022 NC(=O)NNC1CCCCCCC1 Amb27848563 [0,0,0,1,0,0|3,0,0]=4 207 B13R1.1022 NC(=O)\C=C\C1CCCCCCC1 Amb25791108 [0,0,0,1,0,0|1,0,0]=2 208 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,0,0,1,0,0|0,0,2]=3 209 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb21955684 [0,0,0,1,0,0|1,0,2]=4 210 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb6646779 [0,0,0,1,0,0|1,0,2]=4 211 B13R1.1022 O=C(O)COC1CCCCCCC1 Amb28385714 [0,0,0,1,0,0|1,0,1]=3 212 B13R1.1022 O=C(O)\C=C/C1=CCCCCCC1 Amb27592123 [0,0,0,1,0,0|0,0,2]=3 213 B13R1.1022 O=C(O)\C=C\C1CCCCCCC1 Amb24397482 [0,0,0,1,0,0|0,0,0]=1 214 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,0,0,1,0,0|0,0,2]=3 215 B13R1.1107 CC(=O)CN1CCCCCCCC1 Amb27596192 [0,0,0,1,0,0|2,0,1]=4 216 B13R1.1107 NC(=O)CN1CCCCCCCC1 Amb28254750 [0,0,0,1,0,0|2,0,1]=4 217 B13R1.1107 O=C(O)CC1=CCCCCCCC1 Amb28324566 [0,0,0,1,0,0|0,0,2]=3 218 B13R1.1988 CC(=O)NOCC1CCCCCC1 Amb27806373 [0,0,0,1,0,0|3,0,0]=4 219 B13R1.1988 CC(C)=CCCC1CCCCCC1 Amb35588025 [0,0,0,1,0,0|2,0,1]=4 220 B13R1.1988 CS(=O)\N=C\CC1CCCCCC1 Amb35722117 [0,0,0,1,0,0|3,0,0]=4 221 B13R1.1988 NC(=O)NOCC1CCCCCC1 Amb27467105 [0,0,0,1,0,0|3,0,0]=4 222 B13R1.1988 O=C(O)C#CCC1CCCCCC1 Amb27238099 [0,0,0,1,0,0|0,0,2]=3 223 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,0,0,1,0,0|0,0,2]=3 224 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb10072744 [0,0,0,1,0,0|1,0,2]=4 225 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb5501646 [0,0,0,1,0,0|1,0,2]=4 226 B13R1.1988 O=C(O)\C=C\C=C1\CCCOCC1 Amb27465243 [0,0,0,1,0,0|1,0,2]=4 227 B13R1.1988 O=C(O)\C=C\C=C1\CCCSCC1 Amb35691477 [0,0,0,1,0,0|1,0,2]=4 228 B13R1.1988 O=C(O)\C=C\CC1CCCCCC1 Amb26047869 [0,0,0,1,0,0|0,0,0]=1 229 B13R1.1988 O=C(O)\C=C\CN1CCCCCC1 Amb18296443 [0,0,0,1,0,0|1,0,0]=2 230 B13R1.1988 O=C(O)\C=C\CN1CCCNCC1 Amb18296457 [0,0,0,1,0,0|2,0,0]=3 231 B13R1.1988 O=C(O)\C=C\NC1CCCSCC1 Amb35718598 [0,0,0,1,0,0|2,0,0]=3 232 B13R1.3816 N[C@H]1CCCCCCC=C1C(=O)O Amb27863463 [0,0,0,1,0,0|1,0,0]=2 233 B13R1.3816 O=C(O)C1=CCCCCCCC1O Amb28119812 [0,0,0,1,0,0|1,0,0]=2 234 B10R0.71 C=CCCCCCCCCBr Amb9786895 [2,0,0,0,0,0|1,0,1]=4 235 B10R0.71 C=CCCCCCCCCN Amb28652858 [2,0,0,0,0,0|1,0,1]=4 236 B10R0.71 C=CCCCCCCCCN Amb32653011 [2,0,0,0,0,0|1,0,1]=4 237 B10R0.71 C=CCCCCCCCCO Amb6364973 [2,0,0,0,0,0|1,0,1]=4 238 B10R0.71 CCCCCCCCCC=O Amb3940437 [2,0,0,0,0,0|0,0,1]=3 239 B10R0.71 CCCCCCCCCCO Amb3940390 [2,0,0,0,0,0|0,0,2]=4 240 B10R0.71 CCCCCCCCN=C=O Amb3940552 [2,0,0,0,0,0|1,0,1]=4 241 B10R0.71 CCCCCCCCNC=O Amb9787543 [2,0,0,0,0,0|1,0,0]=3 242 B10R0.71 CCCCCCC\C=C\C=O Amb8517160 [2,0,0,0,0,0|0,0,0]=2 243 B10R0.71 CCCCC\C=C\C=C\C=O Amb8392854 [2,0,0,0,0,0|0,0,2]=4 244 B10R0.71 C\C=C\C=C\CCCCCC Amb22546597 [2,0,0,0,0,0|1,0,1]=4 245 B10R0.4 C=C(Br)CCCCCCCC Amb6298935 [2,0,0,0,0,0|2,0,0]=4 246 B10R0.4 C=C(C)CCCCCCCC Amb6298941 [2,0,0,0,0,0|2,0,0]=4 247 B10R0.4 C=C(C)\C=C\CCCCCC Amb22546604 [2,0,0,0,0,0|2,0,0]=4 248 B10R0.4 C=C(Cl)CCCCCCCC Amb6298929 [2,0,0,0,0,0|2,0,0]=4 249 B10R0.4 CCC#CCCCCC(=O)O Amb27269519 [2,0,0,0,0,0|0,0,2]=4 250 B10R0.4 CCCC#CCCCC(=O)O Amb27269520 [2,0,0,0,0,0|0,0,2]=4 251 B10R0.4 CCCC#CC\C=C\C(=O)O Amb25991326 [2,0,0,0,0,0|0,0,2]=4 252 B10R0.4 CCCCCCC#CC(=O)O Amb2780028 [2,0,0,0,0,0|0,0,2]=4 253 B10R0.4 CCCCCCCCB(O)O Amb2456044 [2,0,0,0,0,0|1,0,1]=4 254 B10R0.4 CCCCCCCCC(=O)Cl Amb3941485 [2,0,0,0,0,0|1,0,0]=3 255 B10R0.4 CCCCCCCCC(=O)O Amb3940373 [2,0,0,0,0,0|0,0,0]=2 256 B10R0.4 CCCCCCCCC(=O)[O-] Amb22729912 [2,0,0,0,0,0|0,0,1]=3 257 B10R0.4 CCCCCCCCC(C)=O Amb8513861 [2,0,0,0,0,0|1,0,0]=3 258 B10R0.4 CCCCCCCCC(N)=O Amb8999041 [2,0,0,0,0,0|1,0,0]=3 259 B10R0.4 CCCCCCCC[C@@H](C)O Amb19929333 [2,0,0,0,0,0|1,0,1]=4 260 B10R0.4 CCCCCCCOC(=O)Cl Amb19886548 [2,0,0,0,0,0|2,0,0]=4 261 B10R0.4 CCCCCCCOC(C)=O Amb6366320 [2,0,0,0,0,0|2,0,0]=4 262 B10R0.4 CCCCCCCOC(N)=O Amb32668733 [2,0,0,0,0,0|2,0,0]=4 263 B10R0.4 CCCCCCNCC(=O)O Amb8827565 [2,0,0,0,0,0|1,0,0]=3 264 B10R0.4 CCCCCCOCC(=O)O Amb7790032 [2,0,0,0,0,0|1,0,0]=3 265 B10R0.4 CCCCCC\C=C\B(O)O Amb2456043 [2,0,0,0,0,0|1,0,1]=4 266 B10R0.4 CCCCCC\C=C\C(=O)O Amb3940553 [2,0,0,0,0,0|0,0,0]=2 267 B10R0.4 CCCCCC\C=C\C(C)=O Amb22052629 [2,0,0,0,0,0|1,0,0]=3 268 B10R0.4 CCCCCC\C=C\C(C)O Amb22641689 [2,0,0,0,0,0|1,0,1]=4 269 B10R0.4 CCCCCNCCC(=O)O Amb7755694 [2,0,0,0,0,0|1,0,0]=3 270 B10R0.4 CCCCSCCCC(=O)O Amb9280591 [2,0,0,0,0,0|1,0,0]=3 271 B10R0.4 CCC\C=C\CCCC(=O)O Amb33079428 [2,0,0,0,0,0|0,0,2]=4 272 B10R0.4 CCOCCCCCC(=O)O Amb22234334 [2,0,0,0,0,0|1,0,0]=3 273 B10R0.4 CCOCCOCCC(=O)O Amb6273854 [2,0,0,0,0,0|2,0,0]=4 274 B10R0.4 CNCCOCCCC(=O)O Amb18106300 [2,0,0,0,0,0|2,0,0]=4 275 B10R0.4 COCCCNCCC(=O)O Amb8841109 [2,0,0,0,0,0|2,0,0]=4 276 B10R0.4 COCCCOCCC(=O)O Amb18180046 [2,0,0,0,0,0|2,0,0]=4 277 B10R0.4 COCCOCCCC(=O)O Amb6271198 [2,0,0,0,0,0|2,0,0]=4 278 B10R0.4 COCCOC\C=C\C(=O)O Amb18182499 [2,0,0,0,0,0|2,0,0]=4 279 B10R0.4 CSCCCCCCC(=O)O Amb28652939 [2,0,0,0,0,0|1,0,0]=3 280 B10R0.4 NCCCCCCCC(=O)O Amb19929586 [2,0,0,0,0,0|1,0,0]=3 281 B10R0.4 NCCCCCCCC(=O)O Amb1994908 [2,0,0,0,0,0|1,0,0]=3 282 B10R0.4 NCCCCCCNC(=O)O Amb22494605 [2,0,0,0,0,0|2,0,0]=4 283 B10R0.4 NCCCNCCCC(=O)O Amb18183427 [2,0,0,0,0,0|2,0,0]=4 284 B10R0.4 NCCCNCCCC(=O)O Amb33172775 [2,0,0,0,0,0|2,0,0]=4 285 B10R0.4 NCCCOCCCC(=O)O Amb18111568 [2,0,0,0,0,0|2,0,0]=4 286 B10R0.4 NCCCSCCCC(=O)O Amb17500719 [2,0,0,0,0,0|2,0,0]=4 287 B10R0.4 O=C(O)CCCCCCCBr Amb3940372 [2,0,0,0,0,0|1,0,0]=3 288 B10R0.4 O=C(O)CCCCCCCO Amb2688777 [2,0,0,0,0,0|1,0,0]=3 289 B10R0.4 O=C(O)CCCCOCCO Amb7782972 [2,0,0,0,0,0|2,0,0]=4 290 B10R0.4 O=C(O)CCCSCCCO Amb17502860 [2,0,0,0,0,0|2,0,0]=4 291 B10R0.4 O=C([O-])CCCCCCCO Amb33513015 [2,0,0,0,0,0|1,0,1]=4 292 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [1,1,0,0,0,0|0,0,2]=4 293 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [1,1,0,0,0,0|0,0,1]=3 294 B12R0.5 CCCCCCC\C=C\C=C\CO Amb33986605 [1,1,0,0,0,0|0,0,1]=3 295 B12R0.5 CCCCC\C=C/CC\C=C\C=O Amb22348277 [1,1,0,0,0,0|0,0,1]=3 296 B12R0.248 C=CC(=O)NCCCCCCCC Amb28556071 [1,1,0,0,0,0|2,0,0]=4 297 B12R0.248 C=CC(=O)OCCCCCCCC Amb2778626 [1,1,0,0,0,0|2,0,0]=4 298 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [1,1,0,0,0,0|1,0,1]=4 299 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [1,1,0,0,0,0|0,0,2]=4 300 B12R0.4 CCCCCCCC(=O)CC(C)=O Amb19068864 [1,1,0,0,0,0|1,0,1]=4 301 B12R0.4 CCCCCCCC(C)OC(C)=O Amb22734609 [1,1,0,0,0,0|2,0,0]=4 302 B12R0.4 CCCCCCCC(N)CC(=O)O Amb32666363 [1,1,0,0,0,0|0,0,1]=3 303 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33141063 [1,1,0,0,0,0|0,0,1]=3 304 B12R0.4 CCCCCCCC(N)CC(=O)O Amb33533164 [1,1,0,0,0,0|0,0,1]=3 305 B12R0.4 CCCCCCCC(N)CC(N)=O Amb33253906 [1,1,0,0,0,0|1,0,1]=4 306 B12R0.4 CCCCCCCC(O)CC(=O)O Amb19071697 [1,1,0,0,0,0|0,0,1]=3 307 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172824 [1,1,0,0,0,0|0,0,1]=3 308 B12R0.4 CCCCCCC[C@@H](N)CC(=O)O Amb33172825 [1,1,0,0,0,0|0,0,1]=3 309 B12R0.4 CCCCCCC[C@H](O)CC(=O)O Amb33620732 [1,1,0,0,0,0|0,0,1]=3 310 B12R0.95 CCCCC(=O)CCCCC(=O)O Amb6305232 [1,1,0,0,0,0|0,0,2]=4 311 B12R0.233 CCCCCC(=O)CCCC(=O)O Amb6305235 [1,1,0,0,0,0|0,0,2]=4 312 B12R0.251 CCCCCCCCC(Br)C(=O)O Amb22347926 [1,1,0,0,0,0|0,0,1]=3 313 B12R0.251 CCCCCCCCC(C)C(=O)O Amb19058533 [1,1,0,0,0,0|0,0,1]=3 314 B12R0.251 CCCCCCCCC(F)=C(F)F Amb10840896 [1,1,0,0,0,0|2,0,0]=4 315 B12R0.251 CCCCCCCCC(N)C(=O)O Amb4134809 [1,1,0,0,0,0|0,0,1]=3 316 B12R0.251 CCCCCCCCC(N)C(N)=O Amb32937043 [1,1,0,0,0,0|1,0,1]=4 317 B12R0.251 CCCCCCCCC(O)C(=O)O Amb6295799 [1,1,0,0,0,0|0,0,1]=3 318 B12R0.251 CCCCCCCCN(C)C(C)=O Amb24096791 [1,1,0,0,0,0|2,0,0]=4 319 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O Amb22745440 [1,1,0,0,0,0|0,0,1]=3 320 B12R0.251 CCCCCCCC[C@H](N)C(=O)O Amb28974737 [1,1,0,0,0,0|0,0,1]=3 321 B12R0.251 CCCCCCCSC(C)C(=O)O Amb7794235 [1,1,0,0,0,0|1,0,1]=4 322 B12R0.251 CCCCOCCNC(=O)C(=O)O Amb19077636 [1,1,0,0,0,0|2,0,0]=4 323 B12R0.251 CCCNCCSCC(=O)C(=O)O Amb33069824 [1,1,0,0,0,0|2,0,0]=4 324 B12R0.251 CCNCCCSCC(=O)C(=O)O Amb33069819 [1,1,0,0,0,0|2,0,0]=4 325 B12R0.251 CNCCCCSCC(=O)C(=O)O Amb33069872 [1,1,0,0,0,0|2,0,0]=4 326 B12R0.251 NCCCCCSCC(=O)C(=O)O Amb33069796 [1,1,0,0,0,0|2,0,0]=4 327 B12R0.251 O=C(O)C(=O)CSCCCCCBr Amb33069745 [1,1,0,0,0,0|2,0,0]=4 328 B12R0.251 O=C(O)C(=O)CSCCCCCCl Amb33069763 [1,1,0,0,0,0|2,0,0]=4 329 B12R0.251 O=C(O)C(=O)CSCCCCCO Amb33069713 [1,1,0,0,0,0|2,0,0]=4 330 B12R0.251 O=C(O)C(=O)CSCCCCCS Amb33069990 [1,1,0,0,0,0|2,0,0]=4 331 B12R0.255 CCCCCCC(O)CCC(=O)O Amb19071689 [1,1,0,0,0,0|0,0,1]=3 332 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb19149307 [1,1,0,0,0,0|0,0,2]=4 333 B12R0.255 CCCCCCC(O)CCC(=O)[O-] Amb31145472 [1,1,0,0,0,0|0,0,2]=4 334 B12R0.268 CC(=O)CCCCCCCC(=O)O Amb17938671 [1,1,0,0,0,0|0,0,2]=4 335 B12R0.268 CC(=O)CCCCC\C=C\C(=O)O Amb2610938 [1,1,0,0,0,0|0,0,1]=3 336 B12R0.268 CC(C)CCCCCCCC(=O)O Amb24117911 [1,1,0,0,0,0|0,0,1]=3 337 B12R0.268 CC(C)CCOCCCCC(=O)O Amb9207788 [1,1,0,0,0,0|1,0,1]=4 338 B12R0.268 CC(C)SCCCCCCC(=O)O Amb32410629 [1,1,0,0,0,0|1,0,1]=4 339 B12R0.277 CCCC(=O)CCCCCC(=O)O Amb6305242 [1,1,0,0,0,0|0,0,2]=4 340 B14R0.68 CC(C)CCCCCCC\C=C/C(=O)O Amb22586579 [0,2,0,0,0,0|0,0,0]=2 341 B14R0.231 CCCCCC(=O)CCCCCC(=O)O Amb6305237 [0,2,0,0,0,0|0,0,2]=4 342 B14R0.305 O=C(O)CCCCCCCCC(O)CO Amb9786104 [0,2,0,0,0,0|0,0,2]=4 343 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [0,2,0,0,0,0|0,0,2]=4 344 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [0,2,0,0,0,0|0,0,2]=4 345 B14R0.337 COC(=O)CCCCCCCCCCBr Amb3354793 [0,2,0,0,0,0|0,0,2]=4 346 B14R0.337 COC(=O)CCCCCCCCCCCl Amb22522963 [0,2,0,0,0,0|0,0,2]=4 347 B14R0.337 COC(=O)CCCCCCCCCCN Amb23575681 [0,2,0,0,0,0|0,0,2]=4 348 B14R0.340 CCCCCCCCCCC(Br)C(=O)O Amb8513066 [0,2,0,0,0,0|0,0,2]=4 349 B14R0.340 CCCCCCCCCCC(N)C(=O)O Amb21858489 [0,2,0,0,0,0|0,0,2]=4 350 B14R0.340 CCCCCCCCCCC(O)C(=O)O Amb3987639 [0,2,0,0,0,0|0,0,2]=4 351 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O Amb22745407 [0,2,0,0,0,0|0,0,2]=4 352 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O Amb33836077 [0,2,0,0,0,0|0,0,2]=4 353 B14R0.344 CCCCCCCCC(O)C#CC(=O)O Amb17779806 [0,2,0,0,0,0|0,0,2]=4 354 B14R0.344 CCCCCCCCC(O)CCC(=O)O Amb33313442 [0,2,0,0,0,0|0,0,2]=4 355 B14R0.344 CCCCCCCCS(=O)CCC(=O)O Amb1038995 [0,2,0,0,0,0|0,0,2]=4 356 B14R0.391 CCCCCCCCCC(C)CC(=O)O Amb28963737 [0,2,0,0,0,0|0,0,2]=4 357 B14R0.391 CCCCCCCCCC(O)CC(=O)O Amb21928747 [0,2,0,0,0,0|0,0,2]=4 358 B14R0.391 CCCCCCCCNC(=O)CC(=O)O Amb28905868 [0,2,0,0,0,0|0,0,1]=3 359 B14R0.391 CCCCCCCCOC(=O)CC(C)=O Amb9787149 [0,2,0,0,0,0|1,0,1]=4 360 B14R0.394 C#CCCCCCCCCCCC(=O)O Amb1396957 [0,2,0,0,0,0|0,0,2]=4 361 B14R0.394 C=CCCCCCCCCCCC(=O)O Amb6297458 [0,2,0,0,0,0|0,0,2]=4 362 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [0,2,0,0,0,0|0,0,2]=4 363 B14R0.394 N#CCCCCCCCCCCC(=O)O Amb4014736 [0,2,0,0,0,0|0,0,2]=4 364 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [0,2,0,0,0,0|0,0,2]=4 365 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [0,2,0,0,0,0|0,0,2]=4 366 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [0,2,0,0,0,0|0,0,2]=4 367 B14R0.394 O=C(O)COCCOCCCCCCCl Amb33719366 [0,2,0,0,0,0|1,0,1]=4 368 B14R0.197 COC(=O)\C=C\CCCCCC(=O)OC Amb32674672 [0,2,0,0,0,0|1,0,1]=4 369 B14R0.393 CCCCCCCCCCC(=O)OCC Amb8513621 [0,2,0,0,0,0|0,0,2]=4 370 B12R1.8 O=CCCCCC1CCCCC1 Amb33359606 [1,0,0,1,0,0|0,0,2]=4 371 B12R1.8 O=C\C=C/C=C/C1CCCCC1 Amb28322065 [1,0,0,1,0,0|0,0,2]=4 372 B12R1.8 O=C\C=C\CCN1CCOCC1 Amb33325904 [1,0,0,1,0,0|2,0,0]=4 373 B12R1.18 C=C\C=C\C1CCCCCC1O Amb27164134 [1,0,0,1,0,0|2,0,0]=4 374 B12R1.18 CCCCC1CCCC=CC1=O Amb28199947 [1,0,0,1,0,0|0,0,0]=2 375 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [1,0,0,1,0,0|0,0,2]=4 376 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [1,0,0,1,0,0|1,0,1]=4 377 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [1,0,0,1,0,0|0,0,1]=3 378 B12R1.37 CCCCCCCc1cccs1 Amb24089104 [1,0,0,1,0,0|0,1,1]=4 379 B12R1.37 CCCCCNCc1ccco1 Amb5261471 [1,0,0,1,0,0|1,0,1]=4 380 B12R1.37 O=CCCCCCC1CCCC1 Amb33380237 [1,0,0,1,0,0|0,0,2]=4 381 B12R1.121 C=C\C=C\C1CCCCC1CO Amb28138515 [1,0,0,1,0,0|2,0,0]=4 382 B12R1.121 CCC1CCCCC1\C=C\CO Amb27960104 [1,0,0,1,0,0|0,0,1]=3 383 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [1,0,0,1,0,0|1,0,1]=4 384 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [1,0,0,1,0,0|1,0,1]=4 385 B12R1.169 O=C\C=C1/CCCCC1CC=O Amb28187824 [1,0,0,1,0,0|1,0,1]=4 386 B12R1.169 OC\C=C1/CCCCC1CCO Amb28344944 [1,0,0,1,0,0|1,0,1]=4 387 B12R1.215 O=C1C=CCCC=CCCCC1 Amb28198631 [1,0,0,1,0,0|0,0,2]=4 388 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [1,0,0,1,0,0|0,0,2]=4 389 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [1,0,0,1,0,0|1,0,1]=4 390 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [1,0,0,1,0,0|0,0,2]=4 391 B12R1.267 O=C\C=C\CC1CCCCC1=O Amb26019665 [1,0,0,1,0,0|1,0,1]=4 392 B12R1.267 O=C\C=C\CC1CCCCC1O Amb27859379 [1,0,0,1,0,0|1,0,0]=3 393 B12R1.281 CCC1CCCCC\C1=C/C#N Amb35611349 [1,0,0,1,0,0|1,0,1]=4 394 B12R1.281 CCC1CCCCC\C1=C/CN Amb35734026 [1,0,0,1,0,0|1,0,1]=4 395 B12R1.329 ClC\C=C\C1CCCCCCC1 Amb27805869 [1,0,0,1,0,0|1,0,1]=4 396 B12R1.329 O=C\C=C\C1CCCCCCC1 Amb28315294 [1,0,0,1,0,0|0,0,0]=2 397 B12R1.372 C=C\C=C\CCC1CCCC1O Amb32945172 [1,0,0,1,0,0|2,0,0]=4 398 B12R1.372 C=C\C=C\CC[C@@H]1CCC[C@H]1O Amb33213497 [1,0,0,1,0,0|2,0,0]=4 399 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [1,0,0,1,0,0|0,0,2]=4 400 B12R1.410 ON=C1CCCCCCCCC1 Amb17671029 [1,0,0,1,0,0|1,0,1]=4 401 B12R1.550 C1=CCCCCCCCCCC1 Amb534273 [1,0,0,1,0,0|1,0,1]=4 402 B12R1.550 C1=CCCCCCCCCCC1 Amb9787102 [1,0,0,1,0,0|1,0,1]=4 403 B12R1.1414 O=CCCCC1CCCCCC1 Amb32880555 [1,0,0,1,0,0|0,0,2]=4 404 B12R1.7 CCCCCCC1CCC(=O)O1 Amb569753 [1,0,0,1,0,0|0,0,1]=3 405 B12R1.28 CCCCCC1CCCC(=O)O1 Amb4493671 [1,0,0,1,0,0|0,0,1]=3 406 B12R1.75 CCC1CCCCC1CC(=O)O Amb25152261 [1,0,0,1,0,0|0,0,1]=3 407 B12R1.75 CCC1CCCCC1CC(C)=O Amb27495385 [1,0,0,1,0,0|1,0,1]=4 408 B12R1.75 CCC1CCCCC1NC(=O)Cl Amb35625776 [1,0,0,1,0,0|2,0,0]=4 409 B12R1.75 CCC1CCCCC1OC(=O)Cl Amb27181224 [1,0,0,1,0,0|2,0,0]=4 410 B12R1.75 CCC1CCCCC1OC(C)=O Amb27766398 [1,0,0,1,0,0|2,0,0]=4 411 B12R1.75 CCC1CCCCN1CC(=O)O Amb5380767 [1,0,0,1,0,0|1,0,1]=4 412 B12R1.75 CCC1CCCC\C1=C\C(=O)O Amb33468654 [1,0,0,1,0,0|0,0,0]=2 413 B12R1.75 CC[C@@H]1NCCC[C@H]1CC(=O)O Amb18198537 [1,0,0,1,0,0|1,0,1]=4 414 B12R1.75 CC[C@H]1NCCC[C@@H]1CC(=O)O Amb27654051 [1,0,0,1,0,0|1,0,1]=4 415 B12R1.75 COC1COCC\C1=C/C(=O)O Amb27810547 [1,0,0,1,0,0|2,0,0]=4 416 B12R1.75 NCC1CCCCC1CC(=O)O Amb10843836 [1,0,0,1,0,0|1,0,1]=4 417 B12R1.75 O=C(O)CC1CCCCC1CO Amb27392264 [1,0,0,1,0,0|1,0,1]=4 418 B12R1.81 O=C(O)\C=C\N1CCC[C@@H]1CO Amb35711276 [1,0,0,1,0,0|2,0,0]=4 419 B12R1.81 O=C(O)\C=C\N1CCC[C@H]1CO Amb35711274 [1,0,0,1,0,0|2,0,0]=4 420 B12R1.125 CC(=O)\C=C\C1CCCCN1C Amb33322455 [1,0,0,1,0,0|2,0,0]=4 421 B12R1.125 CC1CC=CCC1\C=C\C(=O)O Amb28343110 [1,0,0,1,0,0|0,0,2]=4 422 B12R1.125 CC1CCCCC1CNC(=O)Cl Amb35625849 [1,0,0,1,0,0|2,0,0]=4 423 B12R1.125 CC1CCCCC1OCC(=O)O Amb9726703 [1,0,0,1,0,0|1,0,1]=4 424 B12R1.125 CC1CCCCN1CCC(=O)O Amb21953915 [1,0,0,1,0,0|1,0,1]=4 425 B12R1.125 CC1CCCCN1CCC(=O)O Amb2693037 [1,0,0,1,0,0|1,0,1]=4 426 B12R1.125 CC1CCCCN1\C=C\C(=O)O Amb28071417 [1,0,0,1,0,0|1,0,0]=3 427 B12R1.125 CC1CNCCC1CCC(=O)O Amb27858642 [1,0,0,1,0,0|1,0,1]=4 428 B12R1.125 CC1CSCCN1\C=C\C(=O)O Amb27646734 [1,0,0,1,0,0|2,0,0]=4 429 B12R1.125 CN1CCCCC1CCC(=O)O Amb10607785 [1,0,0,1,0,0|1,0,1]=4 430 B12R1.125 CN1CCCCC1CCC(=O)O Amb13949149 [1,0,0,1,0,0|1,0,1]=4 431 B12R1.125 CN1CCCCC1CCC(=O)O Amb28555723 [1,0,0,1,0,0|1,0,1]=4 432 B12R1.125 CN1CCCCC1\C=C\C(=O)O Amb33323102 [1,0,0,1,0,0|1,0,0]=3 433 B12R1.125 NC1CCCCC1CCC(=O)O Amb28872362 [1,0,0,1,0,0|1,0,1]=4 434 B12R1.125 NC1CCCCC1CCC(=O)O Amb6739962 [1,0,0,1,0,0|1,0,1]=4 435 B12R1.125 O=C(O)CCC1CCCCC1F Amb27636457 [1,0,0,1,0,0|1,0,1]=4 436 B12R1.125 O=C(O)CCC1CCCCC1O Amb27426758 [1,0,0,1,0,0|1,0,1]=4 437 B12R1.125 O=C(O)CC[C@@H]1CCCC[C@@H]1O Amb27210572 [1,0,0,1,0,0|1,0,1]=4 438 B12R1.125 O=C(O)CC[C@H]1CCCC[C@H]1O Amb27444151 [1,0,0,1,0,0|1,0,1]=4 439 B12R1.130 CC(=O)\C=C\CC1CCCN1C Amb33320331 [1,0,0,1,0,0|2,0,0]=4 440 B12R1.130 CC1CCCC1N\C=C\C(=O)O Amb27172585 [1,0,0,1,0,0|1,0,0]=3 441 B12R1.130 CC1COCC1N\C=C\C(=O)O Amb29878366 [1,0,0,1,0,0|2,0,0]=4 442 B12R1.130 CC1OCCC1CCCC(=O)O Amb33429902 [1,0,0,1,0,0|1,0,1]=4 443 B12R1.130 CC1OCCC1S\C=C\C(=O)O Amb27840755 [1,0,0,1,0,0|2,0,0]=4 444 B12R1.130 CC1SCCC1N\C=C\C(=O)O Amb28251834 [1,0,0,1,0,0|2,0,0]=4 445 B12R1.130 CN1CCCC1CCCC(=O)O Amb33322235 [1,0,0,1,0,0|1,0,1]=4 446 B12R1.130 CN1CCCC1C\C=C\C(=O)O Amb33320769 [1,0,0,1,0,0|1,0,0]=3 447 B12R1.130 O=C(O)\C=C\CC1CCCC1=O Amb25772855 [1,0,0,1,0,0|1,0,1]=4 448 B12R1.130 O=C(O)\C=C\NC1CCCC1O Amb27266225 [1,0,0,1,0,0|2,0,0]=4 449 B12R1.141 CC1CCCCCCCC(=O)N1 Amb27616243 [1,0,0,1,0,0|1,0,1]=4 450 B12R1.210 CC(=O)NC1CCCCCC1C Amb27489458 [1,0,0,1,0,0|2,0,0]=4 451 B12R1.210 CC(=O)\C=C1/CCCCCC1C Amb35734060 [1,0,0,1,0,0|1,0,0]=3 452 B12R1.210 CC(O)\C=C1\CCCCCC1C Amb35672747 [1,0,0,1,0,0|1,0,1]=4 453 B12R1.210 CC1=C(CC(=O)O)CCCCC1 Amb27614696 [1,0,0,1,0,0|0,0,2]=4 454 B12R1.210 CC1CCCCCC1CC(=O)O Amb29865063 [1,0,0,1,0,0|0,0,1]=3 455 B12R1.210 CC1CCCCCC1NC(=O)Cl Amb35633242 [1,0,0,1,0,0|2,0,0]=4 456 B12R1.210 CC1CCCCC\C1=C/C(=O)O Amb35721698 [1,0,0,1,0,0|0,0,0]=2 457 B12R1.210 CC1NCCCCC1CC(=O)O Amb27792876 [1,0,0,1,0,0|1,0,1]=4 458 B12R1.210 CN1CCCCCC1CC(=O)O Amb28250660 [1,0,0,1,0,0|1,0,1]=4 459 B12R1.210 C[C@@H]1NCCCC[C@H]1CC(=O)O Amb18198536 [1,0,0,1,0,0|1,0,1]=4 460 B12R1.210 C[C@H]1NCCCC[C@@H]1CC(=O)O Amb27420235 [1,0,0,1,0,0|1,0,1]=4 461 B12R1.210 NC1CCCCCC1CC(=O)O Amb27178104 [1,0,0,1,0,0|1,0,1]=4 462 B12R1.210 N[C@@H]1CCCCC[C@@H]1CC(=O)O Amb27816143 [1,0,0,1,0,0|1,0,1]=4 463 B12R1.210 O=C(O)CC1CCCCCC1O Amb18198284 [1,0,0,1,0,0|1,0,1]=4 464 B12R1.210 O=C(O)\C=C1\CCCCCC1=O Amb29873240 [1,0,0,1,0,0|1,0,1]=4 465 B12R1.212 NC1CCCCCCC1C(=O)O Amb20667806 [1,0,0,1,0,0|1,0,1]=4 466 B12R1.212 NC1CCCCCCC1C(=O)O Amb22059713 [1,0,0,1,0,0|1,0,1]=4 467 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1993853 [1,0,0,1,0,0|1,0,1]=4 468 B12R1.212 N[C@@H]1CCCCCC[C@@H]1C(=O)O Amb1994005 [1,0,0,1,0,0|1,0,1]=4 469 B12R1.212 N[C@H]1CCCCCC[C@H]1C(=O)O Amb1993854 [1,0,0,1,0,0|1,0,1]=4 470 B12R1.252 CC(=O)CCCC1CCCCC1 Amb33359306 [1,0,0,1,0,0|1,0,1]=4 471 B12R1.252 CC(=O)\C=C\CC1CCCCC1 Amb32953373 [1,0,0,1,0,0|1,0,0]=3 472 B12R1.252 CC(C)=CCCC1CCCCC1 Amb35582921 [1,0,0,1,0,0|2,0,0]=4 473 B12R1.252 O=C(Cl)NCCC1CCCCC1 Amb35625747 [1,0,0,1,0,0|2,0,0]=4 474 B12R1.252 O=C(Cl)OCCC1CCCCC1 Amb33297326 [1,0,0,1,0,0|2,0,0]=4 475 B12R1.252 O=C(Cl)\C=C\CN1CCCCC1 Amb25999147 [1,0,0,1,0,0|2,0,0]=4 476 B12R1.252 O=C(O)C#CCC1CCCCC1 Amb27170004 [1,0,0,1,0,0|0,0,2]=4 477 B12R1.252 O=C(O)CCCC1CCCCC1 Amb4007236 [1,0,0,1,0,0|0,0,1]=3 478 B12R1.252 O=C(O)CCCC1CCCCN1 Amb1101084 [1,0,0,1,0,0|1,0,1]=4 479 B12R1.252 O=C(O)CCCC1CCCCN1 Amb22284114 [1,0,0,1,0,0|1,0,1]=4 480 B12R1.252 O=C(O)CCCC1CCCCO1 Amb33377395 [1,0,0,1,0,0|1,0,1]=4 481 B12R1.252 O=C(O)CCCC1CCCOC1 Amb33358265 [1,0,0,1,0,0|1,0,1]=4 482 B12R1.252 O=C(O)CCCC1CCCSC1 Amb33079061 [1,0,0,1,0,0|1,0,1]=4 483 B12R1.252 O=C(O)CCCC1CCNCC1 Amb1101085 [1,0,0,1,0,0|1,0,1]=4 484 B12R1.252 O=C(O)CCCC1CCNCC1 Amb2720095 [1,0,0,1,0,0|1,0,1]=4 485 B12R1.252 O=C(O)CCCC1CCOCC1 Amb28555790 [1,0,0,1,0,0|1,0,1]=4 486 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5718374 [1,0,0,1,0,0|1,0,1]=4 487 B12R1.252 O=C(O)CCCN1CCCCC1 Amb5762298 [1,0,0,1,0,0|1,0,1]=4 488 B12R1.252 O=C(O)CCNC1CCCCC1 Amb33484265 [1,0,0,1,0,0|1,0,1]=4 489 B12R1.252 O=C(O)CCNC1CCCCC1 Amb3940614 [1,0,0,1,0,0|1,0,1]=4 490 B12R1.252 O=C(O)CCSC1CCCCC1 Amb3318888 [1,0,0,1,0,0|1,0,1]=4 491 B12R1.252 O=C(O)COCC1CCCCC1 Amb19032022 [1,0,0,1,0,0|1,0,1]=4 492 B12R1.252 O=C(O)C\C=C\C1CCCCC1 Amb26861470 [1,0,0,1,0,0|0,0,2]=4 493 B12R1.252 O=C(O)\C=C\CC1CCCCC1 Amb26527903 [1,0,0,1,0,0|0,0,0]=2 494 B12R1.252 O=C(O)\C=C\CC1OCCCO1 Amb25937883 [1,0,0,1,0,0|2,0,0]=4 495 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb18988789 [1,0,0,1,0,0|1,0,0]=3 496 B12R1.252 O=C(O)\C=C\CN1CCCCC1 Amb30634362 [1,0,0,1,0,0|1,0,0]=3 497 B12R1.252 O=C(O)\C=C\CN1CCOCC1 Amb18296130 [1,0,0,1,0,0|2,0,0]=4 498 B12R1.252 O=C(O)\C=C\CN1CCOCC1 Amb33495166 [1,0,0,1,0,0|2,0,0]=4 499 B12R1.252 O=C(O)\C=C\CN1CCSCC1 Amb18296451 [1,0,0,1,0,0|2,0,0]=4 500 B12R1.252 O=C(O)\C=C\NC1CCCSC1 Amb27587576 [1,0,0,1,0,0|2,0,0]=4 501 B12R1.252 O=C(O)\C=C\NC1CCSCC1 Amb27601144 [1,0,0,1,0,0|2,0,0]=4 502 B12R1.252 O=C([O-])CCCC1CCCCC1 Amb8516780 [1,0,0,1,0,0|0,0,2]=4 503 B12R1.252 O=[N+]([O-])\C=C\CC1CCCCC1 Amb33422419 [1,0,0,1,0,0|1,0,1]=4 504 B12R1.255 CC(=O)CCCCC1CCCC1 Amb33448571 [1,0,0,1,0,0|1,0,1]=4 505 B12R1.255 CC(=O)\C=C\CCC1CCCC1 Amb33379446 [1,0,0,1,0,0|1,0,0]=3 506 B12R1.255 CC(=O)\C=C\CCN1CCCC1 Amb33274871 [1,0,0,1,0,0|2,0,0]=4 507 B12R1.255 O=C(O)CCCCC1CCCC1 Amb33229242 [1,0,0,1,0,0|0,0,1]=3 508 B12R1.255 O=C(O)CCCCC1CCOC1 Amb33229236 [1,0,0,1,0,0|1,0,1]=4 509 B12R1.255 O=C(O)CCCCN1CCCC1 Amb33552798 [1,0,0,1,0,0|1,0,1]=4 510 B12R1.255 O=C(O)CCCCN1CCCC1 Amb7783148 [1,0,0,1,0,0|1,0,1]=4 511 B12R1.255 O=C(O)COCCC1CCCC1 Amb32954482 [1,0,0,1,0,0|1,0,1]=4 512 B12R1.255 O=C(O)\C=C\C=C\C1CCCC1 Amb28127009 [1,0,0,1,0,0|0,0,2]=4 513 B12R1.255 O=C(O)\C=C\CCC1CCCC1 Amb33374577 [1,0,0,1,0,0|0,0,0]=2 514 B12R1.255 O=C(O)\C=C\CCN1CCCC1 Amb33275245 [1,0,0,1,0,0|1,0,0]=3 515 B12R1.255 O=C(O)\C=C\NCC1CCSC1 Amb28321166 [1,0,0,1,0,0|2,0,0]=4 516 B12R1.255 O=[N+]([O-])\C=C\CCC1CCCC1 Amb33481467 [1,0,0,1,0,0|1,0,1]=4 517 B12R1.283 CCCC1=C(C(C)=O)CCCC1 Amb27614636 [1,0,0,1,0,0|1,0,1]=4 518 B12R1.283 CCCC1CCCCC1C(C)=O Amb27762565 [1,0,0,1,0,0|1,0,1]=4 519 B12R1.283 CCCC1CCCNC1C(=O)O Amb27178215 [1,0,0,1,0,0|1,0,1]=4 520 B12R1.283 CCCC1OCCCC1C(=O)O Amb10609660 [1,0,0,1,0,0|1,0,1]=4 521 B12R1.283 CCCN1CCCCC1C(=O)O Amb1110568 [1,0,0,1,0,0|1,0,1]=4 522 B12R1.283 CCCN1CCCCC1C(=O)O Amb33552437 [1,0,0,1,0,0|1,0,1]=4 523 B12R1.289 CCCC1COC\C1=C/C(=O)O Amb35631892 [1,0,0,1,0,0|1,0,0]=3 524 B12R1.289 CCCC1COC\C1=C/C(C)=O Amb35616357 [1,0,0,1,0,0|2,0,0]=4 525 B12R1.321 CCCCC1CCCCC(=O)N1 Amb4011804 [1,0,0,1,0,0|1,0,1]=4 526 B12R1.321 CCCCC1CCCCC(=O)O1 Amb22230135 [1,0,0,1,0,0|0,0,1]=3 527 B12R1.321 O=C1CCCCC(CCCCl)O1 Amb27974145 [1,0,0,1,0,0|1,0,1]=4 528 B12R1.321 O=C1CCCCC(CCCO)O1 Amb27206114 [1,0,0,1,0,0|1,0,1]=4 529 B12R1.390 O=C(O)CCCCOCC1CC1 Amb9207802 [1,0,0,1,0,0|1,0,1]=4 530 B12R1.390 O=C(O)CNCCCCC1CC1 Amb32675856 [1,0,0,1,0,0|1,0,1]=4 531 B12R1.405 CC[C@@H]1NCCCC[C@H]1C(=O)O Amb18198539 [1,0,0,1,0,0|1,0,1]=4 532 B12R1.405 CC[C@H]1NCCCC[C@@H]1C(=O)O Amb28247202 [1,0,0,1,0,0|1,0,1]=4 533 B12R1.405 CO[C@H]1CCCCC[C@H]1C(=O)O Amb27489023 [1,0,0,1,0,0|1,0,1]=4 534 B12R1.405 CSC1CCCCCC1C(=O)O Amb18967402 [1,0,0,1,0,0|1,0,1]=4 535 B12R1.405 O=C(O)C1=C(CO)CCCCC1 Amb27955255 [1,0,0,1,0,0|1,0,1]=4 536 B12R1.1335 CC(=O)N1CCCCCCCC1 Amb25169087 [1,0,0,1,0,0|2,0,0]=4 537 B12R1.1335 O=C(Cl)N1CCCCCCCC1 Amb27802970 [1,0,0,1,0,0|2,0,0]=4 538 B12R1.1335 O=C(O)C1=CCCCCCCC1 Amb28325718 [1,0,0,1,0,0|0,0,0]=2 539 B12R1.1335 O=C(O)C1CCCCCCCN1 Amb27171757 [1,0,0,1,0,0|1,0,1]=4 540 B12R1.1343 CC(=O)CCC1CCCCCC1 Amb27468725 [1,0,0,1,0,0|1,0,1]=4 541 B12R1.1343 CC(=O)NCC1CCCCCC1 Amb27208386 [1,0,0,1,0,0|2,0,0]=4 542 B12R1.1343 CC(=O)\C=C\C1CCCCCC1 Amb27968526 [1,0,0,1,0,0|1,0,0]=3 543 B12R1.1343 CC(=O)\C=C\N1CCCCCC1 Amb22524689 [1,0,0,1,0,0|2,0,0]=4 544 B12R1.1343 O=C(Cl)NCC1CCCCCC1 Amb35625593 [1,0,0,1,0,0|2,0,0]=4 545 B12R1.1343 O=C(O)C#CC1CCCCCC1 Amb24556561 [1,0,0,1,0,0|0,0,2]=4 546 B12R1.1343 O=C(O)CCC1CCCCCC1 Amb18825578 [1,0,0,1,0,0|0,0,1]=3 547 B12R1.1343 O=C(O)CCC1CCCCCN1 Amb18198528 [1,0,0,1,0,0|1,0,1]=4 548 B12R1.1343 O=C(O)CCC1CCCNCC1 Amb18198557 [1,0,0,1,0,0|1,0,1]=4 549 B12R1.1343 O=C(O)CCC1CCCOCC1 Amb18825358 [1,0,0,1,0,0|1,0,1]=4 550 B12R1.1343 O=C(O)CCC1CCCSCC1 Amb18820668 [1,0,0,1,0,0|1,0,1]=4 551 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb2721891 [1,0,0,1,0,0|1,0,1]=4 552 B12R1.1343 O=C(O)CCN1CCCCCC1 Amb33552757 [1,0,0,1,0,0|1,0,1]=4 553 B12R1.1343 O=C(O)CNC1CCCCCC1 Amb8428138 [1,0,0,1,0,0|1,0,1]=4 554 B12R1.1343 O=C(O)COC1CCCCCC1 Amb18972071 [1,0,0,1,0,0|1,0,1]=4 555 B12R1.1343 O=C(O)\C=C\C1=CCCCCC1 Amb28052137 [1,0,0,1,0,0|0,0,2]=4 556 B12R1.1343 O=C(O)\C=C\C1CCCCCC1 Amb24715822 [1,0,0,1,0,0|0,0,0]=2 557 B12R1.1343 O=C(O)\C=C\N1CCCCCC1 Amb27272954 [1,0,0,1,0,0|1,0,0]=3 558 B12R1.1343 O=C(O)\C=C\N1CCCSCC1 Amb27190912 [1,0,0,1,0,0|2,0,0]=4 559 B12R1.1343 O=[N+]([O-])\C=C\C1CCCCCC1 Amb33449464 [1,0,0,1,0,0|1,0,1]=4 560 B12R1.1392 CC(=O)C=C1CCCCCCC1 Amb28253982 [1,0,0,1,0,0|1,0,0]=3 561 B12R1.1392 CC(=O)NC1CCCCCCC1 Amb5797421 [1,0,0,1,0,0|2,0,0]=4 562 B12R1.1392 CC(=O)OC1CCCCCCC1 Amb4016350 [1,0,0,1,0,0|2,0,0]=4 563 B12R1.1392 O=C(Cl)NC1CCCCCCC1 Amb35637075 [1,0,0,1,0,0|2,0,0]=4 564 B12R1.1392 O=C(Cl)OC1CCCCCCC1 Amb27480779 [1,0,0,1,0,0|2,0,0]=4 565 B12R1.1392 O=C(O)C=C1CCCCCCC1 Amb6749166 [1,0,0,1,0,0|0,0,0]=2 566 B12R1.1392 O=C(O)CC1CCCCCCC1 Amb6749259 [1,0,0,1,0,0|0,0,1]=3 567 B12R1.1392 O=C(O)CC1CCCCCCO1 Amb27634953 [1,0,0,1,0,0|1,0,1]=4 568 B12R1.1392 O=C(O)CN1CCCCCCC1 Amb6613276 [1,0,0,1,0,0|1,0,1]=4 569 B12R1.1392 O=C(O)C[C@H]1CCCCCCN1 Amb27985858 [1,0,0,1,0,0|1,0,1]=4 570 B12R1.1755 CCCCCC[C@@H]1C[C@H]1C(=O)O Amb33098453 [1,0,0,1,0,0|0,0,1]=3 571 B12R1.1755 CCCCCC[C@H]1C[C@H]1C(=O)O Amb33098421 [1,0,0,1,0,0|0,0,1]=3 572 B14R1.76 CCC1CCCC(N\C=C\C(=O)O)C1 Amb27410728 [0,1,0,1,0,0|1,0,0]=3 573 B14R1.76 CCC1CCC\C(=C\C=C\C(=O)O)C1 Amb27389062 [0,1,0,1,0,0|0,0,2]=4 574 B14R1.76 CSC1CCCC(N\C=C\C(=O)O)C1 Amb27621566 [0,1,0,1,0,0|2,0,0]=4 575 B14R1.1454 O=C(O)\C=C\C=C1CCCCCCC1 Amb27852353 [0,1,0,1,0,0|0,0,1]=3 576 B14R1.1454 O=C(O)\C=C\CN1CCCCCCC1 Amb18296450 [0,1,0,1,0,0|0,0,0]=2 577 B14R1.4456 C[C@@H]1CCCC[C@@]1(O)C\C=C\C(=O)O Amb27637725 [0,1,0,1,0,0|0,0,0]=2 578 B14R1.4898 O=C(O)\C=C\CN1CCOCC(O)C1 Amb28060292 [0,1,0,1,0,0|2,0,0]=4 579 B14R1.26 CCCCCCCC1CCCC(=O)O1 Amb767091 [0,1,0,1,0,0|0,0,2]=4 580 B14R1.96 CCC1CCCCN1CCCC(=O)O Amb5775446 [0,1,0,1,0,0|0,0,2]=4 581 B14R1.96 COC1CCCC\C1=C/C=C/C(=O)O Amb27824067 [0,1,0,1,0,0|0,0,2]=4 582 B14R1.122 CCCCCCCCn1ccc(N)n1 Amb19052808 [0,1,0,1,0,0|2,0,0]=4 583 B14R1.122 CCCCCCNCc1ccc(C)o1 Amb6730527 [0,1,0,1,0,0|1,0,1]=4 584 B14R1.159 CC1CCCCC1\C=C\C=C\C(=O)O Amb27847727 [0,1,0,1,0,0|0,0,1]=3 585 B14R1.159 CN1CCCCC1CN\C=C\C(=O)O Amb27880210 [0,1,0,1,0,0|1,0,0]=3 586 B14R1.159 CN1CCOCC1CN\C=C\C(=O)O Amb35668249 [0,1,0,1,0,0|2,0,0]=4 587 B14R1.233 CCCCCCc1ccsc1C(=O)O Amb32751821 [0,1,0,1,0,0|0,0,2]=4 588 B14R1.233 CCCCCCn1nncc1C(=O)O Amb17535760 [0,1,0,1,0,0|2,0,0]=4 589 B14R1.329 CC1CCCCCC1N\C=C\C(=O)O Amb27474191 [0,1,0,1,0,0|0,0,0]=2 590 B14R1.329 CC1CCCCC\C1=C/C=C/C(=O)O Amb35721703 [0,1,0,1,0,0|0,0,1]=3 591 B14R1.329 CC1COCCCN1C\C=C\C(=O)O Amb28056231 [0,1,0,1,0,0|1,0,0]=3 592 B14R1.422 O=C(O)CCCCCC1CCCCC1 Amb22230076 [0,1,0,1,0,0|0,0,2]=4 593 B14R1.422 O=C(O)CCCCCC1CCCCN1 Amb32430378 [0,1,0,1,0,0|0,0,2]=4 594 B14R1.422 O=C(O)CCCCOC1CCCCC1 Amb9207782 [0,1,0,1,0,0|0,0,2]=4 595 B14R1.422 O=C(O)CCCNCC1CCCCC1 Amb6274295 [0,1,0,1,0,0|0,0,2]=4 596 B14R1.422 O=C(O)CNCCCN1CCCCC1 Amb20152206 [0,1,0,1,0,0|1,0,1]=4 597 B14R1.846 CCC1CCCCCN1\C=C\C(=O)O Amb27228556 [0,1,0,1,0,0|0,0,0]=2 598 B14R1.4408 O=C1C=CCCCCCCCCCC1 Amb25793577 [0,1,0,1,0,0|1,0,0]=3 599 B14R1.4408 O=C1C=CCCCCCCCCCN1 Amb24404897 [0,1,0,1,0,0|1,0,0]=3 600 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [0,1,0,1,0,0|0,0,2]=4 601 B14R1.4408 O=C1CCCCCCCCNCCO1 Amb28187014 [0,1,0,1,0,0|0,0,2]=4 602 B14R1.4408 O=C1CCCCCCCNCCCO1 Amb27746900 [0,1,0,1,0,0|0,0,2]=4 603 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,1,0,1,0,0|0,0,2]=4 604 B14R1.4408 OC1C=C=CCCCCCCCCC1 Amb27651605 [0,1,0,1,0,0|1,0,1]=4 605 B14R1.4728 CCCCCCCCC1CC1C(=O)O Amb1033024 [0,1,0,1,0,0|0,0,2]=4 606 B14R1.4808 C=C1CCCCCCCCC1C(=O)O Amb27592138 [0,1,0,1,0,0|0,0,1]=3 607 B14R1.4961 CC(=O)NC1=CCCCCCCC1O Amb28408855 [0,1,0,1,0,0|2,0,0]=4 608 B14R1.6343 O=C(O)CNCCN1CCCCCC1 Amb20573254 [0,1,0,1,0,0|1,0,1]=4 609 B14R1.6343 O=C(O)\C=C\NCC1CCCCCC1 Amb28193209 [0,1,0,1,0,0|0,0,0]=2 610 B14R1.6343 O=C(O)\C=C\NCC1CCCSCC1 Amb29884294 [0,1,0,1,0,0|1,0,0]=3 611 B14R1.6388 O=C(O)CCCCCCCCC1CC1 Amb32645995 [0,1,0,1,0,0|0,0,2]=4 612 B14R1.6414 O=C(O)C1C=CCCCCCCCC1 Amb27231809 [0,1,0,1,0,0|0,0,0]=2 613 B14R1.6414 O=C(O)C1CCCCCCCCCC1 Amb4034592 [0,1,0,1,0,0|0,0,2]=4 614 B14R1.6414 O=C(O)C1CCCCCCCCCN1 Amb27983623 [0,1,0,1,0,0|0,0,2]=4 615 B14R1.6444 O=C(O)C=C1CCCCCCCCC1 Amb28118972 [0,1,0,1,0,0|0,0,0]=2 616 B14R1.148 CC1CCCC(CCCCC(=O)O)C1 Amb33229246 [0,1,0,1,0,0|0,0,2]=4 617 B14R1.148 CC1CCCC(CN\C=C\C(=O)O)O1 Amb35648508 [0,1,0,1,0,0|1,0,0]=3 618 B14R1.4464 CC1CCC(N\C=C\C(=O)O)C(C)C1 Amb28059008 [0,1,0,1,0,0|1,0,0]=3 619 B14R1.4464 CC1CN(C)CCC1N\C=C\C(=O)O Amb27247150 [0,1,0,1,0,0|2,0,0]=4 620 B14R1.4917 CN1CCCN(C\C=C\C(=O)O)CC1 Amb18296449 [0,1,0,1,0,0|2,0,0]=4 621 B14R1.6072 CC1CCC(C)\C(=C\C=C\C(=O)O)C1 Amb27961029 [0,1,0,1,0,0|0,0,2]=4 622 B14R1.6072 C[C@@H]1CC[C@@H](O)CN1C\C=C\C(=O)O Amb29866112 [0,1,0,1,0,0|1,0,0]=3 623 B14R1.14542 C[C@@H]1CCCCC[C@H](O)C=CC(=O)O1 Amb27197131 [0,1,0,1,0,0|0,0,0]=2 624 B14R1.14 CCCCCCCc1ccc(O)cc1 Amb2779885 [0,1,0,1,0,0|1,0,1]=4 625 B14R1.247 O=C1CCCCCCCCCCC1=O Amb4136412 [0,1,0,1,0,0|1,0,1]=4 626 B14R1.247 O=C1CCCCCCCCCCC1O Amb4017908 [0,1,0,1,0,0|0,0,2]=4 627 B14R1.483 CCOC1COCC\C1=C\C(=O)OC Amb33493018 [0,1,0,1,0,0|2,0,0]=4 628 B14R1.837 COC(=O)\C=C\NC1CCCCC1C Amb27495124 [0,1,0,1,0,0|1,0,0]=3 629 B14R1.848 CCC1CCCCC\C1=C/C(=O)OC Amb35721689 [0,1,0,1,0,0|0,0,0]=2 630 B14R1.863 CCC1CCCCC1OCC(=O)OC Amb9206373 [0,1,0,1,0,0|1,0,1]=4 631 B14R1.1224 COC(=O)CN1CCCCCCCC1 Amb27249749 [0,1,0,1,0,0|1,0,1]=4 632 B14R1.1586 COC(=O)\C=C\NC1CCCSCC1 Amb35718599 [0,1,0,1,0,0|2,0,0]=4 633 B14R1.4889 OC1C=CC(O)CCCCCCCC1 Amb27833640 [0,1,0,1,0,0|1,0,1]=4 634 B14R1.328 C=C(CN1CCCCCC1C)C(=O)O Amb27655631 [0,1,0,1,0,0|1,0,1]=4 635 B14R1.328 CC1CCCCCC1N[C@@H](C)C(=O)O Amb35726906 [0,1,0,1,0,0|1,0,1]=4 636 B14R1.328 CC1CCCCCC1N[C@H](C)C(=O)O Amb35726905 [0,1,0,1,0,0|1,0,1]=4 637 B14R1.481 COCC1CCCCN1C(=O)C(=O)O Amb31173192 [0,1,0,1,0,0|2,0,0]=4 638 B14R1.481 O=C(O)C(=O)N1CCCCC1CCO Amb9304009 [0,1,0,1,0,0|2,0,0]=4 639 B14R1.1722 CCC1CCCCCC1C(C)C(=O)O Amb29865069 [0,1,0,1,0,0|0,0,2]=4 640 B14R1.1722 CCC1CCCCCC1C(F)C(=O)O Amb29865070 [0,1,0,1,0,0|0,0,2]=4 641 B14R1.1722 CCC1CCCCCC1C(N)C(=O)O Amb35660529 [0,1,0,1,0,0|0,0,2]=4 642 B14R1.1722 CCC1CCCCCC1C(O)C(=O)O Amb35725678 [0,1,0,1,0,0|0,0,2]=4 643 B14R1.1722 CCC1CCCCC\C1=C(\C)C(=O)O Amb35721690 [0,1,0,1,0,0|0,0,0]=2 644 B14R1.1722 CCC1CCCCC\C1=C(\F)C(=O)O Amb35721691 [0,1,0,1,0,0|0,0,0]=2 645 B14R1.3135 CCC1CCCCC1CC(O)C(=O)O Amb33353393 [0,1,0,1,0,0|0,0,2]=4 646 B14R1.3135 CCC1CCCCC1NC(=O)C(=O)O Amb18978400 [0,1,0,1,0,0|1,0,0]=3 647 B14R1.3135 CCC1CCCCC1\C=C(\C)C(C)O Amb27960105 [0,1,0,1,0,0|1,0,1]=4 648 B14R1.3135 CCC1CCCCC1\C=C(\C)[N+](=O)[O-] Amb27960107 [0,1,0,1,0,0|1,0,1]=4 649 B14R1.3135 CCC1CCCCC1\C=C(\F)C(=O)O Amb27960073 [0,1,0,1,0,0|0,0,0]=2 650 B14R1.3135 NCC1CCCCC1NC(=O)C(=O)O Amb27810170 [0,1,0,1,0,0|2,0,0]=4 651 B14R1.3135 O=C(O)C(=O)N[C@@H]1CCCC[C@H]1CO Amb27420898 [0,1,0,1,0,0|2,0,0]=4 652 B14R1.3218 CC(CCCCC1CCCC1)C(=O)O Amb33379868 [0,1,0,1,0,0|0,0,2]=4 653 B14R1.3218 O=C(O)C(=O)NCCCN1CCCC1 Amb19038992 [0,1,0,1,0,0|2,0,0]=4 654 B14R1.4967 O=C1C=C(C(=O)O)CCCCCCC1 Amb27758678 [0,1,0,1,0,0|0,0,1]=3 655 B14R1.6449 CC(CCCC1CCCCC1)C(=O)O Amb33475142 [0,1,0,1,0,0|0,0,2]=4 656 B14R1.6449 O=C(O)C(=O)NCCN1CCCCC1 Amb19017781 [0,1,0,1,0,0|2,0,0]=4 657 B14R1.10025 CC(C(=O)O)=C1CCCCCCCC1 Amb28396630 [0,1,0,1,0,0|0,0,0]=2 658 B14R1.10025 CC(C(=O)O)C1CCCCCCCC1 Amb28121159 [0,1,0,1,0,0|0,0,2]=4 659 B14R1.10025 CC(C(=O)O)N1CCCCCCCC1 Amb28461352 [0,1,0,1,0,0|1,0,1]=4 660 B14R1.10030 CC(CCC1CCCCCC1)C(=O)O Amb32880656 [0,1,0,1,0,0|0,0,2]=4 661 B14R1.10030 O=C(O)C(=O)NCC1CCCCCC1 Amb28320839 [0,1,0,1,0,0|1,0,0]=3 662 B14R1.10030 O=C(O)C(=O)NCC1CCCSCC1 Amb29884295 [0,1,0,1,0,0|2,0,0]=4 663 B14R1.10072 CC(CC1CCCCCCC1)C(=O)O Amb27413802 [0,1,0,1,0,0|0,0,2]=4 664 B14R1.10072 CC(SC1CCCCCCC1)C(=O)O Amb27947291 [0,1,0,1,0,0|1,0,1]=4 665 B14R1.10072 C\C(=C/C1CCCCCCC1)C(C)O Amb28456867 [0,1,0,1,0,0|1,0,1]=4 666 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O Amb25846297 [0,1,0,1,0,0|0,0,2]=4 667 B14R1.10072 O=C(O)C(=O)NC1CCCCCCC1 Amb9303877 [0,1,0,1,0,0|1,0,0]=3 668 B14R1.10072 O=C(O)C(O)CC1CCCCCCC1 Amb33353304 [0,1,0,1,0,0|0,0,2]=4 669 B14R1.67 CCCCC1CCC(C)NC1C(=O)O Amb33072382 [0,1,0,1,0,0|1,0,1]=4 670 B14R1.160 CC1CCCCN1C(=O)\C=C\C(=O)O Amb1115790 [0,1,0,1,0,0|1,0,1]=4 671 B14R1.160 CN(\C=C\C(=O)O)C1CCCCC1O Amb27258576 [0,1,0,1,0,0|2,0,0]=4 672 B14R1.238 CC1CCCC1NC(=O)\C=C/C(=O)O Amb27213008 [0,1,0,1,0,0|1,0,1]=4 673 B14R1.238 C[C@H]1CCC[C@@H]1NC(=O)\C=C/C(=O)O Amb27614438 [0,1,0,1,0,0|1,0,1]=4 674 B14R1.423 O=C(O)\C=C/C(=O)NC1CCCCC1 Amb577975 [0,1,0,1,0,0|1,0,1]=4 675 B14R1.423 O=C(O)\C=C\C(=O)NC1CCCCC1 Amb1155188 [0,1,0,1,0,0|1,0,1]=4 676 B14R1.3597 O=C(O)\C=C\N1CCCCC(CO)C1 Amb29854356 [0,1,0,1,0,0|2,0,0]=4 677 B14R1.4526 NC(CCC(=O)O)CCC1CCCC1 Amb33374918 [0,1,0,1,0,0|0,0,2]=4 678 B14R1.4891 CC1CCCCCC1(O)CCC(=O)O Amb35718036 [0,1,0,1,0,0|0,0,2]=4 679 B14R1.10371 CN(\C=C\C(=O)O)C1CCCCCC1 Amb28206325 [0,1,0,1,0,0|1,0,0]=3 680 B14R1.10371 CN(\C=C\C(=O)O)C1CCCSCC1 Amb35722194 [0,1,0,1,0,0|2,0,0]=4 681 B14R1.10371 NC(CCC(=O)O)C1CCCCCC1 Amb32876833 [0,1,0,1,0,0|0,0,2]=4 682 B14R1.10371 O=C(O)\C=C\C(=O)N1CCCCCC1 Amb1113185 [0,1,0,1,0,0|1,0,1]=4 683 B14R1.6315 CC1(C)CCCC\C1=C/C=C/C(=O)O Amb27812347 [0,1,0,1,0,0|0,0,2]=4 684 B14R1.6316 CC(C)C1COCC1N\C=C\C(=O)O Amb35617317 [0,1,0,1,0,0|2,0,0]=4 685 B14R1.6325 CC(=O)\C=C1/CCCCCC1C(C)C Amb35734057 [0,1,0,1,0,0|1,0,0]=3 686 B14R1.6325 CC(C)C1CCCCCC1CC(=O)O Amb29865071 [0,1,0,1,0,0|0,0,2]=4 687 B14R1.6325 CC(C)C1CCCCC\C1=C/C(=O)O Amb35721693 [0,1,0,1,0,0|0,0,0]=2 688 B14R1.6325 CC(O)\C=C1/CCCCCC1C(C)C Amb35672746 [0,1,0,1,0,0|1,0,1]=4 689 B14R1.6359 CC1(C)OCCC1CN\C=C\C(=O)O Amb29887907 [0,1,0,1,0,0|2,0,0]=4 690 B14R1.4499 CC1OCCC1(O)CN\C=C\C(=O)O Amb28385301 [0,1,0,1,0,0|2,0,0]=4 691 B14R1.154 CC1CCCC(N\C=C\C(=O)O)C1C Amb27474215 [0,1,0,1,0,0|1,0,0]=3 692 B14R1.154 CC1CCC\C(=C\C=C\C(=O)O)C1C Amb27247874 [0,1,0,1,0,0|0,0,2]=4 693 B14R1.677 CC1CCC(CCCCC(=O)O)CC1 Amb33229245 [0,1,0,1,0,0|0,0,2]=4 694 B14R1.327 CC1CCCCCC1N(C)CC(=O)O Amb35721464 [0,1,0,1,0,0|1,0,1]=4 695 B14R1.327 CC1CCCCCN1C(=O)CC(=O)O Amb27173180 [0,1,0,1,0,0|1,0,1]=4 696 B14R1.337 CC(=C/C(=O)O)\C=C1/CCCCC1C Amb29859153 [0,1,0,1,0,0|0,0,2]=4 697 B14R1.337 C\C(=C/C(=O)O)CN1CCCCC1C Amb27595014 [0,1,0,1,0,0|1,0,0]=3 698 B14R1.443 CCCCCCC1CC(=O)C=C(C)C1 Amb20621618 [0,1,0,1,0,0|1,0,0]=3 699 B14R1.818 CC(=C\C(=O)O)\C=C\C1CCCCC1 Amb29859154 [0,1,0,1,0,0|0,0,2]=4 700 B14R1.849 CCC1CCC\C1=C/C(C)=C/C(=O)O Amb29859152 [0,1,0,1,0,0|0,0,2]=4 701 B14R1.1721 CCC1CCCCCC1(N)CC(=O)O Amb35734038 [0,1,0,1,0,0|0,0,2]=4 702 B14R1.1721 CCC1CCCCCC1(O)CC(=O)O Amb29865442 [0,1,0,1,0,0|0,0,2]=4 703 B14R1.13044 NC(=O)NC(=O)C1CCCCCCC1 Amb27485131 [0,1,0,1,0,0|2,0,0]=4 704 B14R1.13044 NC(CC(=O)O)C1CCCCCCC1 Amb2697386 [0,1,0,1,0,0|0,0,2]=4 705 B14R1.13044 N[C@H](CC(=O)O)C1CCCCCCC1 Amb27766132 [0,1,0,1,0,0|0,0,2]=4 706 B14R1.13044 O=C(O)CC(=O)N1CCCCCCC1 Amb18959579 [0,1,0,1,0,0|1,0,1]=4 707 B14R1.13081 C\C(C=C1CCCCCC1)=C\C(=O)O Amb29859151 [0,1,0,1,0,0|0,0,2]=4 708 B14R1.13081 NC(=O)NC(=O)CC1CCCCCC1 Amb27264353 [0,1,0,1,0,0|2,0,0]=4 709 B14R1.13081 O=C(O)CC(=O)NC1CCCCCC1 Amb17402289 [0,1,0,1,0,0|1,0,1]=4 710 B14R2.21 O=C1C=CCC(C2CCCCC2)C1 Amb27749801 [0,0,0,2,0,0|1,0,0]=3 711 B14R2.21 O=C1C=CC[C@@H](C2CCCCC2)N1 Amb28364971 [0,0,0,2,0,0|1,0,0]=3 712 B14R2.21 O=C1C=CNC(C2CCCCC2)C1 Amb27433936 [0,0,0,2,0,0|2,0,0]=4 713 B14R2.21 O=C1C=CN[C@H](C2CCCCC2)C1 Amb27412389 [0,0,0,2,0,0|2,0,0]=4 714 B14R2.716 O=C1C=COC(CC2CCCC2)C1 Amb27208488 [0,0,0,2,0,0|2,0,0]=4 715 B14R2.5715 O=C1C=C2CCCCCCC2CC1 Amb27772509 [0,0,0,2,0,0|1,0,0]=3 716 B14R2.20965 CC1CCCCC12CC(=O)C=CO2 Amb27402434 [0,0,0,2,0,0|2,0,0]=4 717 B14R2.23229 O=C1NCCC2(CCCCCC2)O1 Amb27441268 [0,0,0,2,0,0|1,0,1]=4 718 B14R2.19 O=C1NCC(CC2CCCCC2)O1 Amb24438974 [0,0,0,2,0,0|1,0,1]=4 719 B14R2.252 O=C1NCC(CCC2CCCC2)O1 Amb33379956 [0,0,0,2,0,0|1,0,1]=4 720 B14R2.4359 O=C1NCC(C2CCCCCC2)O1 Amb27474282 [0,0,0,2,0,0|1,0,1]=4 721 B14R2.5594 OC1CCC2CCCCCCC=C12 Amb28138753 [0,0,0,2,0,0|1,0,1]=4 722 B14R2.8409 CC1CCCCCC12CCC(=O)O2 Amb35718033 [0,0,0,2,0,0|0,0,2]=4 723 B14R2.8409 CC1CCCCCC12CNC(=O)O2 Amb35734078 [0,0,0,2,0,0|1,0,1]=4 724 B14R2.450 CC1C(C(=O)O)OC2CCCCC21 Amb23589671 [0,0,0,2,0,0|1,0,1]=4 725 B14R2.781 O=C(O)C1CC2CCCCC2CN1 Amb10067011 [0,0,0,2,0,0|1,0,1]=4 726 B14R2.781 O=C(O)C1CCC2CCCCC2C1 Amb10553405 [0,0,0,2,0,0|0,0,2]=4 727 B14R2.781 O=C(O)C1CCC2CCCCC2N1 Amb19149342 [0,0,0,2,0,0|1,0,1]=4 728 B14R2.781 O=C(O)C1CCC2CCCCC2N1 Amb9709868 [0,0,0,2,0,0|1,0,1]=4 729 B14R2.781 O=C(O)C1CCC2CCCC[C@@H]2C1 Amb27876043 [0,0,0,2,0,0|0,0,2]=4 730 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 Amb6307327 [0,0,0,2,0,0|1,0,1]=4 731 B14R2.781 O=C(O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 Amb28142340 [0,0,0,2,0,0|0,0,2]=4 732 B14R2.781 O=C(O)[C@@H]1C[C@H]2CCCCC2CN1 Amb27420121 [0,0,0,2,0,0|1,0,1]=4 733 B14R2.781 O=C(O)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 Amb27233446 [0,0,0,2,0,0|0,0,2]=4 734 B14R2.781 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2CN1 Amb26553060 [0,0,0,2,0,0|1,0,1]=4 735 B14R2.781 O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2CN1 Amb27985837 [0,0,0,2,0,0|1,0,1]=4 736 B14R2.781 O=C(O)[C@H]1C[C@H]2CCCC[C@H]2CN1 Amb27476178 [0,0,0,2,0,0|1,0,1]=4 737 B14R2.9455 O=C(O)\C=C\N1C2CCC1COC2 Amb35596323 [0,0,0,2,0,0|2,0,0]=4 738 B14R2.9466 CC(=O)\C=C\C1CC2CCC1CC2 Amb35627481 [0,0,0,2,0,0|1,0,0]=3 739 B14R2.9466 CC(O)\C=C\C1CC2CCC1CC2 Amb35615538 [0,0,0,2,0,0|1,0,1]=4 740 B14R2.9466 O=C(O)CCC1CC2CCC1CC2 Amb35733835 [0,0,0,2,0,0|0,0,2]=4 741 B14R2.9466 O=C(O)\C=C\C1CC2CCC1CC2 Amb29887204 [0,0,0,2,0,0|0,0,0]=2 742 B14R2.9466 O=C(O)\C=C\N1CC2CCC1CC2 Amb27854228 [0,0,0,2,0,0|1,0,0]=3 743 B14R2.9466 O=[N+]([O-])\C=C\C1CC2CCC1CC2 Amb35615548 [0,0,0,2,0,0|1,0,1]=4 744 B14R2.1008 O=C(O)CC1CC[C@H]2CCC[C@H]2C1 Amb27440023 [0,0,0,2,0,0|0,0,2]=4 745 B14R2.1008 O=C(O)\C=C1\CCN2CCCC2C1 Amb27656682 [0,0,0,2,0,0|1,0,0]=3 746 B14R2.9499 O=C(O)CCCC1CC2CCC1C2 Amb33470258 [0,0,0,2,0,0|0,0,2]=4 747 B14R2.9499 O=C(O)\C=C\C=C1/CC2CCC1C2 Amb27426593 [0,0,0,2,0,0|0,0,2]=4 748 B14R2.9499 O=C(O)\C=C\CC1CC2CCC1C2 Amb33470089 [0,0,0,2,0,0|0,0,0]=2 749 B14R2.11007 O=C(O)\C=C\CN1C2CCC1CC2 Amb27785106 [0,0,0,2,0,0|1,0,0]=3 750 B14R2.768 O=C(O)C=C1CC2CCCCC2C1 Amb28285568 [0,0,0,2,0,0|0,0,0]=2 751 B14R2.768 O=C(O)CC1C[C@H]2CCCC[C@@H]2C1 Amb28051861 [0,0,0,2,0,0|0,0,2]=4 752 B14R2.768 O=C(O)\C=C1\C[C@@H]2CCCC[C@@H]2C1 Amb27863486 [0,0,0,2,0,0|0,0,0]=2 753 B14R2.10994 O=C(O)\C=C\NC12CCCCC1C2 Amb35692498 [0,0,0,2,0,0|1,0,0]=3 754 B14R2.36485 O=C(O)\C=C\NC1CCCC2CC21 Amb30007940 [0,0,0,2,0,0|1,0,0]=3 755 B14R2.4 CC1CCC2C(C(=O)O)=COCC12 Amb25260351 [0,0,0,2,0,0|1,0,0]=3 756 B14R2.4 C[C@@H]1CC[C@@H]2C(C(=O)O)=COC[C@@H]21 Amb27657536 [0,0,0,2,0,0|1,0,0]=3 757 B14R2.4 C[C@H]1CC[C@@H]2C(C(=O)O)=COC[C@H]12 Amb28411209 [0,0,0,2,0,0|1,0,0]=3 758 B14R2.4 O=C(O)C1=CCCC2C(O)CCC12 Amb28396681 [0,0,0,2,0,0|1,0,0]=3 759 B14R2.4 O=C(O)C1=CCC[C@@H]2C(=O)CC[C@H]12 Amb28429394 [0,0,0,2,0,0|1,0,1]=4 760 B14R2.21859 O=C(O)\C=C\NCC12CCCC1C2 Amb35691921 [0,0,0,2,0,0|1,0,0]=3 761 B14R2.21859 O=C(O)\C=C\NCC12COCC1C2 Amb35606621 [0,0,0,2,0,0|2,0,0]=4 762 B14R2.11005 O=C(O)\C=C\CN1CCC2CC2C1 Amb30006751 [0,0,0,2,0,0|1,0,0]=3 763 B14R2.11005 O=C(O)\C=C\NC1CCC2CC2C1 Amb35699415 [0,0,0,2,0,0|1,0,0]=3 764 B14R2.11019 O=C(O)\C=C\C=C\C1CC2CC2C1 Amb35663509 [0,0,0,2,0,0|0,0,2]=4 765 B14R2.11019 O=C(O)\C=C\NCC1CC2CC2C1 Amb35624140 [0,0,0,2,0,0|1,0,0]=3 766 B14R2.7515 CCCC1CC2CC2CC1C(=O)O Amb33230278 [0,0,0,2,0,0|0,0,2]=4 767 B14R2.3104 CCC[C@@H]1CC(=O)C=C2CCCN21 Amb27164590 [0,0,0,2,0,0|2,0,0]=4 768 B14R2.9443 O=C(O)CC1CCCC2CC2CC1 Amb32862954 [0,0,0,2,0,0|0,0,2]=4 769 B14R2.8028 O=C1C=C2CCCCCC2CCC1 Amb27855021 [0,0,0,2,0,0|1,0,0]=3 770 B14R2.24101 O=C1CCCCCC2CCCC=C12 Amb27247960 [0,0,0,2,0,0|1,0,0]=3 771 B14R2.23251 CC1CCCCCC12CC2C(=O)O Amb35725675 [0,0,0,2,0,0|0,0,2]=4 772 B14R2.31338 O=C(O)C1CC2CCCCCC2N1 Amb18191979 [0,0,0,2,0,0|1,0,1]=4 773 B14R2.36570 O=C(O)CN1CC2CCCCCC21 Amb27206858 [0,0,0,2,0,0|1,0,1]=4 774 B14R2.36570 O=C(O)CN1CC2CCCCCC21 Amb27954330 [0,0,0,2,0,0|1,0,1]=4 775 B14R2.7766 CC12CCCCCCC1CC(=O)O2 Amb28388805 [0,0,0,2,0,0|0,0,2]=4 776 B14R2.11012 O=C(O)\C=C1\CCC2CCNC1C2 Amb33468671 [0,0,0,2,0,0|1,0,0]=3 777 B14R2.31353 O=C(O)C1=CC2CCC=CCCC12 Amb33744079 [0,0,0,2,0,0|0,0,2]=4 778 B14R2.31353 O=C(O)C1=CC2CCCCCCC12 Amb33744091 [0,0,0,2,0,0|0,0,0]=2 779 B14R2.31353 O=C(O)C1CC2CCCCCCC21 Amb33803207 [0,0,0,2,0,0|0,0,2]=4 780 B14R2.9496 O=C(O)\C=C\CN1CC2CCC2C1 Amb35591413 [0,0,0,2,0,0|1,0,0]=3 781 B14R2.55 O=C(O)C1CCCC12CCCCC2 Amb25374968 [0,0,0,2,0,0|0,0,2]=4 782 B14R2.764 O=C(O)C1CC1CC2CCCCC2 Amb27609282 [0,0,0,2,0,0|0,0,2]=4 783 B14R2.764 O=C(O)[C@@H]1C[C@H]1CC2CCCCC2 Amb33326107 [0,0,0,2,0,0|0,0,2]=4 784 B14R2.766 CC(=O)\C=C1\CCC12CCCCC2 Amb35619525 [0,0,0,2,0,0|1,0,0]=3 785 B14R2.766 CC(O)\C=C1\CCC12CCCCC2 Amb35619199 [0,0,0,2,0,0|1,0,1]=4 786 B14R2.766 O=C(O)CC1CCC12CCCCC2 Amb35619428 [0,0,0,2,0,0|0,0,2]=4 787 B14R2.766 O=C(O)\C=C1\CCC12CCCCC2 Amb30025872 [0,0,0,2,0,0|0,0,0]=2 788 B14R2.769 O=C(O)CNC1CC12CCCCC2 Amb27452978 [0,0,0,2,0,0|1,0,1]=4 789 B14R2.780 O=C(O)[C@H]1CC[C@@H]1C2CCCCC2 Amb28057540 [0,0,0,2,0,0|0,0,2]=4 790 B14R2.31359 O=C(O)C1=C2NCCCN2CCC1 Amb18192549 [0,0,0,2,0,0|2,0,0]=4 791 B14R2.31359 O=C(O)C1CCCC2CCCCC21 Amb22886529 [0,0,0,2,0,0|0,0,2]=4 792 B14R2.31359 O=C(O)[C@@H]1CCC[C@H]2CCCCC21 Amb27781566 [0,0,0,2,0,0|0,0,2]=4 793 B14R2.31359 O=C(O)[C@@H]1CCC[C@H]2CCCC[C@H]21 Amb28052086 [0,0,0,2,0,0|0,0,2]=4 794 B14R2.31359 O=C(O)[C@H]1CCC[C@@H]2CCCC[C@H]21 Amb27204896 [0,0,0,2,0,0|0,0,2]=4 795 B14R2.36501 O=C(O)\C=C\NC1C2CCCCC21 Amb27454248 [0,0,0,2,0,0|1,0,0]=3 796 B14R2.54 O=C(O)C1CCCCC12CCCC2 Amb27179168 [0,0,0,2,0,0|0,0,2]=4 797 B14R2.54 O=C(O)C1NCCCC12CCCC2 Amb34913460 [0,0,0,2,0,0|1,0,1]=4 798 B14R2.76 CC(O)\C=C1\CCCC12CCCC2 Amb27975088 [0,0,0,2,0,0|1,0,1]=4 799 B14R2.76 O=C(O)\C=C1\CCCC12CCCC2 Amb27453352 [0,0,0,2,0,0|0,0,0]=2 800 B14R2.763 O=C(O)C1=NCCC1C2CCCN2 Amb25037320 [0,0,0,2,0,0|2,0,0]=4 801 B14R2.763 O=C(O)C1CCCC1C2CCCC2 Amb27400381 [0,0,0,2,0,0|0,0,2]=4 802 B14R2.778 O=C(O)C1CC1CCC2CCCC2 Amb33374910 [0,0,0,2,0,0|0,0,2]=4 803 B14R2.778 O=C(O)[C@@H]1C[C@H]1CCC2CCCC2 Amb33374584 [0,0,0,2,0,0|0,0,2]=4 804 B14R2.1004 O=C(O)CNC1CCC12CCCC2 Amb35630733 [0,0,0,2,0,0|1,0,1]=4 805 B14R2.642 CC1CC2CCCCC2=C1C(=O)O Amb28121147 [0,0,0,2,0,0|0,0,0]=2 806 B14R2.9577 CC(=O)\C=C1\CCCCC1C2CC2 Amb35676101 [0,0,0,2,0,0|1,0,0]=3 807 B14R2.9577 CC(O)\C=C1\CCCCC1C2CC2 Amb35669400 [0,0,0,2,0,0|1,0,1]=4 808 B14R2.9577 O=C(O)CC1CCCCC1C2CC2 Amb35661933 [0,0,0,2,0,0|0,0,2]=4 809 B14R2.9577 O=C(O)\C=C1\CCCCC1C2CC2 Amb35661927 [0,0,0,2,0,0|0,0,0]=2 810 B14R2.30919 O=C(O)C=C1C2CCCC1CNC2 Amb27199843 [0,0,0,2,0,0|1,0,0]=3 811 B14R2.21878 O=C(O)CNC1CCCC12CCC2 Amb27423340 [0,0,0,2,0,0|1,0,1]=4 812 B14R2.30999 CC(=O)\C=C\C12CCC[C@H]1OCC2 Amb33447715 [0,0,0,2,0,0|2,0,0]=4 813 B14R2.30999 O=C(O)\C=C\C12CCC[C@H]1OCC2 Amb33473458 [0,0,0,2,0,0|1,0,0]=3 814 B14R2.9532 O=C(O)C1CCCCC1C2CCC2 Amb28125042 [0,0,0,2,0,0|0,0,2]=4 815 B14R2.31232 O=C(O)C1=NOC2CCCCCC12 Amb25947486 [0,0,0,2,0,0|2,0,0]=4 816 B14R2.30710 O=C(O)C1CC1C2CCCCCC2 Amb25780545 [0,0,0,2,0,0|0,0,2]=4 817 B14R2.30710 O=C(O)[C@@H]1C[C@H]1C2CCCCCC2 Amb32877152 [0,0,0,2,0,0|0,0,2]=4