0 B14R0.392 C=CCCCCCCCCCCCC=C Amb22641575 [0,0,0,0,0,0|1,0,3]=4 1 B14R0.392 C=CCCCCCCCCCCCCBr Amb31031236 [0,0,0,0,0,0|1,0,2]=3 2 B14R0.392 C=CCCCCCCCCCCCCC Amb6336502 [0,0,0,0,0,0|1,0,1]=2 3 B14R0.392 CCCCCCCCCCCCCC#N Amb4008531 [0,0,0,0,0,0|1,0,1]=2 4 B14R0.392 CCCCCCCCCCCCCC=O Amb3940435 [0,0,0,0,0,0|0,0,2]=2 5 B14R0.392 CCCCCCCCCCCCCCBr Amb8513855 [0,0,0,0,0,0|1,0,0]=1 6 B14R0.392 CCCCCCCCCCCCCCCl Amb8384591 [0,0,0,0,0,0|1,0,0]=1 7 B14R0.392 CCCCCCCCCCCCCCF Amb10840999 [0,0,0,0,0,0|1,0,0]=1 8 B14R0.392 CCCCCCCCCCCCCCO Amb3940391 [0,0,0,0,0,0|0,0,0]=0 9 B14R0.392 CCCCCCCCCCCCCNC Amb10241352 [0,0,0,0,0,0|2,0,0]=2 10 B14R0.392 CCCCCCCCCCCCC[NH2+]C Amb9787093 [0,0,0,0,0,0|2,0,0]=2 11 B14R0.392 CCCCCCCCCCCCN=C=O Amb20671279 [0,0,0,0,0,0|1,0,2]=3 12 B14R0.392 CCCCCCCCCCCCN=C=S Amb6860856 [0,0,0,0,0,0|1,1,1]=3 13 B14R0.392 CCCCCCCCCCCCN=[N+]=[N-] Amb33249645 [0,0,0,0,0,0|3,0,0]=3 14 B14R0.392 CCCCCCCCCCCCSC#N Amb6366407 [0,0,0,0,0,0|2,0,1]=3 15 B14R0.392 CCCCCCCCCCCCSCC Amb4008818 [0,0,0,0,0,0|2,0,0]=2 16 B14R0.392 CCCCCCCCCCCNCCC Amb9787065 [0,0,0,0,0,0|2,0,0]=2 17 B14R0.392 CCCCCCCCCCCOCCO Amb9787691 [0,0,0,0,0,0|1,0,0]=1 18 B14R0.392 CCCCCCCCCCC[NH2+]CCC Amb9787083 [0,0,0,0,0,0|2,0,0]=2 19 B14R0.392 CCCCCCCCCCOCCC#N Amb9787156 [0,0,0,0,0,0|2,0,1]=3 20 B14R0.392 CCCCCCCCCNCCCCC Amb7761764 [0,0,0,0,0,0|2,0,0]=2 21 B14R0.392 CCCCCCCCC[NH2+]CCCCC Amb9787092 [0,0,0,0,0,0|2,0,0]=2 22 B14R0.392 CCCCCCCCNCCCCCC Amb7757641 [0,0,0,0,0,0|2,0,0]=2 23 B14R0.392 CCCCCCCCNCCOCCO Amb7757673 [0,0,0,0,0,0|2,0,0]=2 24 B14R0.392 CCCCCCCCOCCOCCO Amb8513230 [0,0,0,0,0,0|2,0,0]=2 25 B14R0.392 CCCCCCCCOCCOCCS Amb9786149 [0,0,0,0,0,0|2,1,0]=3 26 B14R0.392 CCCCCCCNCCCCCCC Amb495299 [0,0,0,0,0,0|2,0,0]=2 27 B14R0.392 CCCCCCCNCCCCCCC Amb839439 [0,0,0,0,0,0|2,0,0]=2 28 B14R0.392 CCCCCCCOCCCCCCC Amb4008530 [0,0,0,0,0,0|2,0,0]=2 29 B14R0.392 CCCCCCCSCCCCCCC Amb9787168 [0,0,0,0,0,0|2,0,0]=2 30 B14R0.392 CCCCOCCOCCOCCCC Amb8386517 [0,0,0,0,0,0|4,0,0]=4 31 B14R0.392 CCCC\C=C/CCCCCCCCO Amb24053303 [0,0,0,0,0,0|0,0,2]=2 32 B14R0.392 CC\C=C/CCCCCCCCCCO Amb33756791 [0,0,0,0,0,0|0,0,2]=2 33 B14R0.392 CC\C=C\CCCCCCCCCC=O Amb2721580 [0,0,0,0,0,0|0,0,4]=4 34 B14R0.392 CC\C=C\CCCCCCCCCCO Amb539676 [0,0,0,0,0,0|0,0,2]=2 35 B14R0.392 COCCOCCOCCOCCCO Amb32652958 [0,0,0,0,0,0|4,0,0]=4 36 B14R0.392 NCCCCCCNCCCCCCN Amb2720521 [0,0,0,0,0,0|3,0,0]=3 37 B14R0.392 OCCCCCCCCCCCCCBr Amb534144 [0,0,0,0,0,0|1,0,0]=1 38 B14R0.392 OCCCCCCCCCCCCCO Amb10603348 [0,0,0,0,0,0|1,0,0]=1 39 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCN Amb34912553 [0,0,0,0,0,0|4,0,0]=4 40 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCN Amb34932691 [0,0,0,0,0,0|4,0,0]=4 41 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCO Amb34912552 [0,0,0,0,0,0|3,0,0]=3 42 B14R0.392 [N-]=[N+]=NCCCCCCCCCCCS Amb31030998 [0,0,0,0,0,0|3,1,0]=4 43 B13R0.336 BrCCCCCCCCCCCCBr Amb8513538 [1,0,0,0,0,0|2,0,0]=3 44 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [1,0,0,0,0,0|1,0,2]=4 45 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [1,0,0,0,0,0|1,0,0]=2 46 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [1,0,0,0,0,0|0,0,0]=1 47 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [1,0,0,0,0,0|1,0,0]=2 48 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [1,0,0,0,0,0|1,0,0]=2 49 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [1,0,0,0,0,0|0,0,0]=1 50 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [1,0,0,0,0,0|1,0,0]=2 51 B13R0.336 CCCCCCCCCCCCON Amb24117984 [1,0,0,0,0,0|2,0,0]=3 52 B13R0.336 CCCCCCCCCCCN=C=S Amb19883893 [1,0,0,0,0,0|1,1,1]=4 53 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [1,0,0,0,0,0|1,0,0]=2 54 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [1,0,0,0,0,0|1,0,0]=2 55 B13R0.336 CCCCCCCCCCNCCN Amb18333779 [1,0,0,0,0,0|2,0,0]=3 56 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [1,0,0,0,0,0|1,0,0]=2 57 B13R0.336 CCCCCCCCCCOCCCl Amb9787198 [1,0,0,0,0,0|2,0,0]=3 58 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [1,0,0,0,0,0|1,0,0]=2 59 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [1,0,0,0,0,0|2,0,0]=3 60 B13R0.336 CCCCCCCOCCOCCCl Amb9786143 [1,0,0,0,0,0|3,0,0]=4 61 B13R0.336 CCCCCCSSCCCCCC Amb6366453 [1,0,0,0,0,0|2,0,0]=3 62 B13R0.336 CCCCNCCOCCOCCO Amb9786284 [1,0,0,0,0,0|3,0,0]=4 63 B13R0.336 CCCCOCCOCCOCCO Amb9787112 [1,0,0,0,0,0|3,0,0]=4 64 B13R0.336 CCCCSCCOCCOCCO Amb9786124 [1,0,0,0,0,0|3,0,0]=4 65 B13R0.336 CCCOCCOCCCCCCCl Amb33620488 [1,0,0,0,0,0|3,0,0]=4 66 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [1,0,0,0,0,0|1,0,0]=2 67 B13R0.336 ClCCCCCCCCCCCCCl Amb8514863 [1,0,0,0,0,0|2,0,0]=3 68 B13R0.336 N#CCCCCCCCCCCCBr Amb31031008 [1,0,0,0,0,0|2,0,1]=4 69 B13R0.336 NCCCCCCCCCCCCN Amb9786762 [1,0,0,0,0,0|2,0,0]=3 70 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [1,0,0,0,0,0|1,0,0]=2 71 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [1,0,0,0,0,0|1,0,0]=2 72 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [1,0,0,0,0,0|1,0,0]=2 73 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [1,0,0,0,0,0|2,0,0]=3 74 B13R0.336 OCCOCCOCCCCCCCl Amb33719425 [1,0,0,0,0,0|3,0,0]=4 75 B13R0.336 SCCCCCCCCCCCCBr Amb32663658 [1,0,0,0,0,0|1,1,0]=3 76 B13R0.336 [N-]=[N+]=NCCCCCCCCCCO Amb17608636 [1,0,0,0,0,0|3,0,0]=4 77 B15R0.70 BrCCCCCCCCCCCCCCBr Amb17671945 [0,1,0,0,0,0|1,0,0]=2 78 B15R0.70 C#CCCCCCCCCCCCCCO Amb22002151 [0,1,0,0,0,0|0,0,1]=2 79 B15R0.70 C=CCCCCCCCCCCCCC=C Amb22347877 [0,1,0,0,0,0|1,0,2]=4 80 B15R0.70 CCCCCCCCCCCCCCCBr Amb8516462 [0,1,0,0,0,0|1,0,0]=2 81 B15R0.70 CCCCCCCCCCCCCCCC Amb8513181 [0,1,0,0,0,0|1,0,0]=2 82 B15R0.70 CCCCCCCCCCCCCCCI Amb28990876 [0,1,0,0,0,0|1,0,0]=2 83 B15R0.70 CCCCCCCCCCCCCCCO Amb8513284 [0,1,0,0,0,0|0,0,0]=1 84 B15R0.70 CCCCCCCCCCCCCNCC Amb32410618 [0,1,0,0,0,0|1,0,0]=2 85 B15R0.70 CCCCCCCCCCCCNCCO Amb9787054 [0,1,0,0,0,0|0,0,0]=1 86 B15R0.70 CCCCCCCCCCCCOCCO Amb9787185 [0,1,0,0,0,0|0,0,0]=1 87 B15R0.70 CCCCCCCCCCCCSCCO Amb1085984 [0,1,0,0,0,0|0,0,0]=1 88 B15R0.70 CCCCCCCCCCCNCCCO Amb9786065 [0,1,0,0,0,0|0,0,0]=1 89 B15R0.70 CCCCCCCCCCOCCCCO Amb2099477 [0,1,0,0,0,0|0,0,0]=1 90 B15R0.70 CCCCCCCCCNCCCCCC Amb17308746 [0,1,0,0,0,0|1,0,0]=2 91 B15R0.70 CCCCCCCCCOCCOCCCl Amb9787686 [0,1,0,0,0,0|2,0,0]=3 92 B15R0.70 CCCCCCCCNCCCCCCC Amb20077794 [0,1,0,0,0,0|1,0,0]=2 93 B15R0.70 CCCCCCNCCOCCOCCO Amb9789437 [0,1,0,0,0,0|2,0,0]=3 94 B15R0.70 CCCCCCOCCOCCOCCO Amb9787188 [0,1,0,0,0,0|2,0,0]=3 95 B15R0.70 CNCCCCCCCCCCCCNC Amb10070079 [0,1,0,0,0,0|2,0,0]=3 96 B15R0.70 NCCCCCCSSCCCCCCN Amb31031027 [0,1,0,0,0,0|3,0,0]=4 97 B15R0.70 OCCCCCCCCCCCCCCBr Amb2694731 [0,1,0,0,0,0|0,0,0]=1 98 B15R0.70 OCCCCCCCCCCCCCCO Amb2695005 [0,1,0,0,0,0|0,0,0]=1 99 B15R0.70 [N-]=[N+]=NCCCCCCCCCCCCN Amb34912550 [0,1,0,0,0,0|3,0,0]=4 100 B15R0.70 [N-]=[N+]=NCCCCCCCCCCCCO Amb34912548 [0,1,0,0,0,0|2,0,0]=3 101 B15R0.81 CCCCCCCCCCCCC(=O)OC Amb21928887 [0,1,0,0,0,0|2,0,1]=4 102 B15R0.81 CCCCCCCCCCCCC(C)CO Amb28556616 [0,1,0,0,0,0|0,0,0]=1 103 B15R0.81 CCCCCCCCCCCCC(Cl)CCl Amb9787296 [0,1,0,0,0,0|1,0,0]=2 104 B15R0.81 CCCCCCCCCCCCC(O)CO Amb17674268 [0,1,0,0,0,0|0,0,0]=1 105 B15R0.81 CCCCCCCCCCOCC(O)CO Amb2611727 [0,1,0,0,0,0|1,0,0]=2 106 B15R0.81 CCCCCCCCNCCNC(C)CC Amb2692011 [0,1,0,0,0,0|3,0,0]=4 107 B15R0.81 COC(=O)CCCCCCCCCCCBr Amb4466753 [0,1,0,0,0,0|2,0,1]=4 108 B15R0.81 COC(=O)CCCCCCCCCCCN Amb17608040 [0,1,0,0,0,0|2,0,1]=4 109 B15R0.81 COC(=O)CCCCCCCCCCCN Amb21856053 [0,1,0,0,0,0|2,0,1]=4 110 B15R0.133 CCCCCCCC(=O)CCCCCCC Amb4008786 [0,1,0,0,0,0|1,0,1]=3 111 B15R0.133 CCCCCCCC(N)CCCCCCC Amb29838329 [0,1,0,0,0,0|1,0,0]=2 112 B15R0.133 CCCCCCOC(C)OCCCCCC Amb4014756 [0,1,0,0,0,0|3,0,0]=4 113 B15R0.149 CCCCCCCCC(=O)CCCCCC Amb6366426 [0,1,0,0,0,0|1,0,1]=3 114 B15R0.149 CCCCCCCCC(O)CCCCCC Amb6869644 [0,1,0,0,0,0|1,0,0]=2 115 B15R0.164 C#CCCCCCCCCCCCC(=O)O Amb22642011 [0,1,0,0,0,0|0,0,3]=4 116 B15R0.164 CCCCCCCCCCCCCC(=O)Cl Amb3940239 [0,1,0,0,0,0|0,0,2]=3 117 B15R0.164 CCCCCCCCCCCCCC(=O)O Amb2708780 [0,1,0,0,0,0|0,0,1]=2 118 B15R0.164 CCCCCCCCCCCCCC(N)=O Amb6366249 [0,1,0,0,0,0|0,0,2]=3 119 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22168111 [0,1,0,0,0,0|2,0,1]=4 120 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22523280 [0,1,0,0,0,0|2,0,1]=4 121 B15R0.164 CCCCCCCCCCCCNC(=N)N Amb22729789 [0,1,0,0,0,0|2,0,1]=4 122 B15R0.164 CCCCCCCCCCCCNC(N)=O Amb2720910 [0,1,0,0,0,0|1,0,2]=4 123 B15R0.164 CCCCCCCCCCCCOC(=O)Cl Amb22002629 [0,1,0,0,0,0|1,0,2]=4 124 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb10669535 [0,1,0,0,0,0|2,0,1]=4 125 B15R0.164 CCCCCCCCCCCCSC(=N)N Amb9176340 [0,1,0,0,0,0|2,0,1]=4 126 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb20630815 [0,1,0,0,0,0|1,0,1]=3 127 B15R0.164 CCCCCCCCCCNCCC(=O)O Amb22059078 [0,1,0,0,0,0|1,0,1]=3 128 B15R0.164 CCCCCCCCCCSCCC(=O)O Amb1036580 [0,1,0,0,0,0|1,0,1]=3 129 B15R0.164 CCCCCCCCSCCCCC(=O)O Amb1038997 [0,1,0,0,0,0|1,0,1]=3 130 B15R0.164 CN(C)CCCCCCCCCCCCN Amb24117502 [0,1,0,0,0,0|2,0,0]=3 131 B15R0.322 CCCCCCCCCC(=O)CCCCC Amb22359716 [0,1,0,0,0,0|1,0,1]=3 132 B15R0.366 CCCCCCCCCCCC(=O)OCC Amb6366580 [0,1,0,0,0,0|2,0,1]=4 133 B15R0.366 CCCCCCCCCCCC(=O)OCCl Amb32413654 [0,1,0,0,0,0|2,0,1]=4 134 B15R0.366 CCCCCCCCOCCC(C)CCBr Amb34914000 [0,1,0,0,0,0|2,0,0]=3 135 B15R0.366 CCOC(=O)CCCCCCCCCCN Amb33804736 [0,1,0,0,0,0|2,0,1]=4 136 B15R1.35 CCCCCCCCCC1=NCCCC1 Amb33510228 [0,0,0,1,0,0|1,0,1]=3 137 B15R1.35 CCCCCCCCCN1CCNCC1 Amb2689946 [0,0,0,1,0,0|3,0,0]=4 138 B15R1.35 CCCCCCCCNC1CCCCC1 Amb7757204 [0,0,0,1,0,0|2,0,0]=3 139 B15R1.35 CCCCCCNCCN1CCCCC1 Amb17308747 [0,0,0,1,0,0|3,0,0]=4 140 B15R1.35 OCCNCCCNCC1CCCCC1 Amb879714 [0,0,0,1,0,0|2,0,0]=3 141 B15R1.52 CCCCCCOC1CCCCCC1Br Amb33347722 [0,0,0,1,0,0|2,0,0]=3 142 B15R1.52 CCCCCCOC1CCCCCC1I Amb33348096 [0,0,0,1,0,0|2,0,0]=3 143 B15R1.52 CCCOCCOC1CCCCCC1Br Amb33347745 [0,0,0,1,0,0|3,0,0]=4 144 B15R1.52 CCCOCCOC1CCCCCC1I Amb33348115 [0,0,0,1,0,0|3,0,0]=4 145 B15R1.220 CC1CCCCN1CCCNCCCCl Amb20414383 [0,0,0,1,0,0|3,0,0]=4 146 B15R1.220 CC1CCCCN1CCCNCCCO Amb20573513 [0,0,0,1,0,0|2,0,0]=3 147 B15R1.220 CCCCCCCCN1CCNCC1C Amb20675034 [0,0,0,1,0,0|3,0,0]=4 148 B15R1.220 CCCCCCCOC1CCCCC1Br Amb33346451 [0,0,0,1,0,0|2,0,0]=3 149 B15R1.220 CCCCCCCOC1CCCCC1I Amb32710145 [0,0,0,1,0,0|2,0,0]=3 150 B15R1.220 CCCCOCCOC1CCCCC1Br Amb33349395 [0,0,0,1,0,0|3,0,0]=4 151 B15R1.220 CCCCOCCOC1CCCCC1I Amb32710146 [0,0,0,1,0,0|3,0,0]=4 152 B15R1.229 CCCCCCCCCCOC1CNC1 Amb32941351 [0,0,0,1,0,0|3,0,0]=4 153 B15R1.242 CCCNCCN1CCCCC1CCO Amb20573578 [0,0,0,1,0,0|2,0,0]=3 154 B15R1.580 CCCCCOC1CCCCCCC1Br Amb33348640 [0,0,0,1,0,0|2,0,0]=3 155 B15R1.580 CCCCCOC1CCCCCCC1I Amb33349650 [0,0,0,1,0,0|2,0,0]=3 156 B15R1.580 CCOCCOC1CCCCCCC1Br Amb33348644 [0,0,0,1,0,0|3,0,0]=4 157 B15R1.580 CCOCCOC1CCCCCCC1I Amb33349653 [0,0,0,1,0,0|3,0,0]=4 158 B15R1.580 COCCCOC1CCCCCCC1Br Amb33348642 [0,0,0,1,0,0|3,0,0]=4 159 B15R1.580 COCCCOC1CCCCCCC1I Amb33349652 [0,0,0,1,0,0|3,0,0]=4 160 B15R1.836 CCCCN1CCCCCCNCCC1 Amb32794982 [0,0,0,1,0,0|3,0,0]=4 161 B15R1.1022 CCCCCCCCCN1CCC1CN Amb33252205 [0,0,0,1,0,0|2,0,0]=3 162 B15R1.1045 CCOCCCNC1CCCCC1CC Amb33496369 [0,0,0,1,0,0|3,0,0]=4 163 B15R1.1951 CCOCCCNC1CCCCCCC1 Amb6700082 [0,0,0,1,0,0|3,0,0]=4 164 B15R1.1951 COCCCCNC1CCCCCCC1 Amb33003618 [0,0,0,1,0,0|3,0,0]=4 165 B15R1.1951 OCCOCCNC1CCCCCCC1 Amb6736092 [0,0,0,1,0,0|2,0,0]=3 166 B15R1.3515 CCCCCCCCOC1CCCC1Br Amb33348588 [0,0,0,1,0,0|2,0,0]=3 167 B15R1.3515 CCCCCCCCOC1CCCC1I Amb33348897 [0,0,0,1,0,0|2,0,0]=3 168 B15R1.3515 CCCCCCCCOC1COCC1Br Amb33348631 [0,0,0,1,0,0|3,0,0]=4 169 B15R1.3515 CCCCCCCCOC1COCC1I Amb33349058 [0,0,0,1,0,0|3,0,0]=4 170 B15R1.6328 CCCCCCCCN1CCCNCC1 Amb7794156 [0,0,0,1,0,0|3,0,0]=4 171 B15R1.6328 ClCCCNCCCN1CCCCCC1 Amb20573640 [0,0,0,1,0,0|3,0,0]=4 172 B15R1.6328 OCCCNCCCN1CCCCCC1 Amb20573469 [0,0,0,1,0,0|2,0,0]=3 173 B15R1.9199 CCCCCCCCCCCCC1CO1 Amb9787730 [0,0,0,1,0,0|0,0,0]=1 174 B15R1.9199 CCCCOCCOCCOCC1CO1 Amb9786184 [0,0,0,1,0,0|3,0,0]=4 175 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [2,0,0,0,0,0|2,0,0]=4 176 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [2,0,0,0,0,0|0,0,2]=4 177 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [2,0,0,0,0,0|0,0,2]=4 178 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [2,0,0,0,0,0|0,0,2]=4 179 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [2,0,0,0,0,0|1,0,1]=4 180 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [2,0,0,0,0,0|0,0,2]=4 181 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [2,0,0,0,0,0|1,0,0]=3 182 B12R0.5 CCCCCCCCCCCCC Amb29471649 [2,0,0,0,0,0|0,0,0]=2 183 B12R0.5 CCCCCCCCCCCCC Amb8513362 [2,0,0,0,0,0|0,0,0]=2 184 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [2,0,0,0,0,0|1,0,0]=3 185 B12R0.5 CCCCCCCCCCCCI Amb3940281 [2,0,0,0,0,0|1,0,0]=3 186 B12R0.5 CCCCCCCCCCCCN Amb3940463 [2,0,0,0,0,0|1,0,0]=3 187 B12R0.5 CCCCCCCCCCCCO Amb2721434 [2,0,0,0,0,0|0,0,0]=2 188 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [2,0,0,0,0,0|1,0,0]=3 189 B12R0.5 CCCCCCCCCCCNC Amb32676722 [2,0,0,0,0,0|1,0,0]=3 190 B12R0.5 CCCCCCCCCCCNC Amb9787074 [2,0,0,0,0,0|1,0,0]=3 191 B12R0.5 CCCCCCCCCNCCC Amb7794670 [2,0,0,0,0,0|1,0,0]=3 192 B12R0.5 CCCCCCCCCSCCN Amb7794936 [2,0,0,0,0,0|2,0,0]=4 193 B12R0.5 CCCCCCCCCSCCO Amb7968787 [2,0,0,0,0,0|1,0,0]=3 194 B12R0.5 CCCCCCCCNCCCN Amb19058864 [2,0,0,0,0,0|2,0,0]=4 195 B12R0.5 CCCCCCCCNCCNC Amb2691994 [2,0,0,0,0,0|2,0,0]=4 196 B12R0.5 CCCCCCCCOCCCN Amb13951369 [2,0,0,0,0,0|2,0,0]=4 197 B12R0.5 CCCCCCCCOCCCN Amb7764731 [2,0,0,0,0,0|2,0,0]=4 198 B12R0.5 CCCCCCCNCCCCC Amb7761456 [2,0,0,0,0,0|1,0,0]=3 199 B12R0.5 CCCCCCNCCCCCC Amb3938960 [2,0,0,0,0,0|1,0,0]=3 200 B12R0.5 CCCCCCOCCCCCC Amb9787554 [2,0,0,0,0,0|1,0,0]=3 201 B12R0.5 CCCCCCOCCOCCO Amb9787187 [2,0,0,0,0,0|2,0,0]=4 202 B12R0.5 CCCCCCSCCCCCC Amb8513185 [2,0,0,0,0,0|1,0,0]=3 203 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [2,0,0,0,0,0|0,0,2]=4 204 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [2,0,0,0,0,0|2,0,0]=4 205 B12R0.5 CCOCCCCCCCCCO Amb22233218 [2,0,0,0,0,0|1,0,0]=3 206 B12R0.5 NCCCCCCCCCCCN Amb16233911 [2,0,0,0,0,0|2,0,0]=4 207 B12R0.5 NCCCCCCCCCCCO Amb26304136 [2,0,0,0,0,0|1,0,0]=3 208 B12R0.5 NCCCCCCCCCCCO Amb30988059 [2,0,0,0,0,0|1,0,0]=3 209 B12R0.5 NCCCCCCCCCCCS Amb22336989 [2,0,0,0,0,0|1,1,0]=4 210 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [2,0,0,0,0,0|1,0,0]=3 211 B12R0.5 OCCCCCCCCCCCO Amb15692712 [2,0,0,0,0,0|1,0,0]=3 212 B12R0.5 OCCCCCCCCCCCS Amb8396653 [2,0,0,0,0,0|1,0,0]=3 213 B14R0.145 CCCCCCC(C)NCCOCCO Amb7795555 [1,1,0,0,0,0|2,0,0]=4 214 B14R0.145 CCCCCCCC(C)NCCCOC Amb7795492 [1,1,0,0,0,0|2,0,0]=4 215 B14R0.145 CCCCCCCC(O)CCCCCC Amb6869645 [1,1,0,0,0,0|0,0,0]=2 216 B14R0.179 CCCCCCCCC(=O)NCCCO Amb9274513 [1,1,0,0,0,0|1,0,1]=4 217 B14R0.337 C#CC(O)CCCCCCCCCCC Amb22345519 [1,1,0,0,0,0|0,0,2]=4 218 B14R0.337 CCCCCCCCCCCC(=O)NO Amb31031031 [1,1,0,0,0,0|1,0,1]=4 219 B14R0.337 CCCCCCCCCCCC(=O)OC Amb4378331 [1,1,0,0,0,0|1,0,1]=4 220 B14R0.337 CCCCCCCCCCCC(Cl)CCl Amb9787197 [1,1,0,0,0,0|1,0,0]=3 221 B14R0.337 CCCCCCCCCCOC(=O)CC Amb9786156 [1,1,0,0,0,0|1,0,1]=4 222 B14R0.393 CCCCCCCCCCC(=O)CCC Amb9031611 [1,1,0,0,0,0|0,0,1]=3 223 B14R0.393 CCCCCCCCCCC(=O)OCC Amb8513621 [1,1,0,0,0,0|1,0,1]=4 224 B14R0.393 CCCCCCCCCCC(O)CCC Amb24099722 [1,1,0,0,0,0|0,0,0]=2 225 B14R0.393 CCCCCCCCCCS(=O)CCO Amb1039004 [1,1,0,0,0,0|1,0,0]=3 226 B14R0.394 CC(C)CCCCCCCCCCC=O Amb22168232 [1,1,0,0,0,0|0,0,2]=4 227 B14R0.394 CCCCCCCCCCCCB(O)O Amb13890365 [1,1,0,0,0,0|1,0,0]=3 228 B14R0.394 CCCCCCCCCCCCC(=O)O Amb8513363 [1,1,0,0,0,0|0,0,1]=3 229 B14R0.394 CCCCCCCCCCCCC(C)=O Amb22730728 [1,1,0,0,0,0|0,0,1]=3 230 B14R0.394 CCCCCCCCCCCCC(C)O Amb8513348 [1,1,0,0,0,0|0,0,0]=2 231 B14R0.394 CCCCCCCCCCCCN(C)C Amb8395263 [1,1,0,0,0,0|1,0,0]=3 232 B14R0.394 CCCCCCCCCCCOC(C)=O Amb6366704 [1,1,0,0,0,0|1,0,1]=4 233 B14R0.394 CCCCCCCCCNCCN(C)C Amb7761766 [1,1,0,0,0,0|2,0,0]=4 234 B14R0.394 NCCCCCCCCCCCC(=O)O Amb3940462 [1,1,0,0,0,0|1,0,1]=4 235 B14R0.394 O=C(O)CCCCCCCCCCCBr Amb3940328 [1,1,0,0,0,0|1,0,1]=4 236 B14R0.394 O=C(O)CCCCCCCCCCCO Amb3940329 [1,1,0,0,0,0|1,0,1]=4 237 B14R0.493 CCCCCCCCNC(C)CCCO Amb33363334 [1,1,0,0,0,0|1,0,0]=3 238 B16R0.61 CCCCCCCCCCCCC(=O)OCCl Amb32414072 [0,2,0,0,0,0|1,0,1]=4 239 B16R0.61 CCOC(=O)CCCCCCCCCCCBr Amb32406014 [0,2,0,0,0,0|1,0,1]=4 240 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb28858255 [0,2,0,0,0,0|1,0,1]=4 241 B16R0.61 CCOC(=O)CCCCCCCCCCCN Amb32668359 [0,2,0,0,0,0|1,0,1]=4 242 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb17779807 [0,2,0,0,0,0|0,0,2]=4 243 B16R0.221 CCCCCCCCCCCCCC(=O)NN Amb6493018 [0,2,0,0,0,0|0,0,2]=4 244 B16R0.221 CCCCCCCCCCCCCC(=O)OC Amb8513623 [0,2,0,0,0,0|0,0,1]=3 245 B16R0.221 CCCCCCCCCCCCCC(O)CC Amb22234780 [0,2,0,0,0,0|0,0,0]=2 246 B16R0.221 CCCCCCCCCCCCNC(=O)CCl Amb9786179 [0,2,0,0,0,0|1,0,1]=4 247 B16R0.221 CCCCCCCCCCCCNC(=O)CN Amb23440885 [0,2,0,0,0,0|1,0,1]=4 248 B16R0.221 CCCCCCCCCCCCOC(=O)CBr Amb9787144 [0,2,0,0,0,0|1,0,1]=4 249 B16R0.221 CCCCCCCCCCCCOC(=O)CC Amb31291585 [0,2,0,0,0,0|1,0,1]=4 250 B16R0.221 CCCCCCCCCCCCOC(=O)CCl Amb9787143 [0,2,0,0,0,0|1,0,1]=4 251 B16R0.221 CCCCCCCCCCCCOC(=O)CN Amb21520298 [0,2,0,0,0,0|1,0,1]=4 252 B16R0.274 C=CCCCCCCCCCCCCC(=O)O Amb22489917 [0,2,0,0,0,0|0,0,2]=4 253 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [0,2,0,0,0,0|0,0,2]=4 254 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb20622364 [0,2,0,0,0,0|0,0,1]=3 255 B16R0.274 CCCCCCCCCCNCCCC(=O)O Amb22059079 [0,2,0,0,0,0|0,0,1]=3 256 B16R0.274 O=C(O)CCCCCCCCCCCCCO Amb22489916 [0,2,0,0,0,0|0,0,1]=3 257 B16R0.303 C=CCCCCCCCCCCCCCC=C Amb22641570 [0,2,0,0,0,0|1,0,1]=4 258 B16R0.303 CCCCCCCCC#CCCCCCCO Amb2721481 [0,2,0,0,0,0|0,0,0]=2 259 B16R0.303 CCCCCCCCCCCCCCCC#N Amb33921986 [0,2,0,0,0,0|1,0,0]=3 260 B16R0.303 CCCCCCCCCCCCCCCC=O Amb6600126 [0,2,0,0,0,0|0,0,1]=3 261 B16R0.303 CCCCCCCCCCCCCCCCBr Amb6366441 [0,2,0,0,0,0|1,0,0]=3 262 B16R0.303 CCCCCCCCCCCCCCCCCl Amb8514668 [0,2,0,0,0,0|1,0,0]=3 263 B16R0.303 CCCCCCCCCCCCCCCCN Amb751923 [0,2,0,0,0,0|1,0,0]=3 264 B16R0.303 CCCCCCCCCCCCCCCCO Amb6354576 [0,2,0,0,0,0|0,0,0]=2 265 B16R0.303 CCCCCCCCCCCCCCCCS Amb8513184 [0,2,0,0,0,0|0,1,0]=3 266 B16R0.303 CCCCCCCCCCCCCCN=C=O Amb10070640 [0,2,0,0,0,0|0,0,1]=3 267 B16R0.303 CCCCCCCCCCCCCCN=C=S Amb19883892 [0,2,0,0,0,0|0,1,0]=3 268 B16R0.303 CCCCCCCCCCCCNCCC#N Amb2687700 [0,2,0,0,0,0|1,0,0]=3 269 B16R0.303 CCCCCCCCCCCCNCCCN Amb16234107 [0,2,0,0,0,0|1,0,0]=3 270 B16R0.303 CCCCCCCCCCCCOCCC#N Amb9787157 [0,2,0,0,0,0|1,0,0]=3 271 B16R0.303 CCCCCCCCCCCCOCCCN Amb2780371 [0,2,0,0,0,0|1,0,0]=3 272 B16R0.303 CCCCCCCCNCCCCCCCC Amb8513151 [0,2,0,0,0,0|1,0,0]=3 273 B16R0.303 CCCCCCCCOCCCCCCCC Amb9787158 [0,2,0,0,0,0|1,0,0]=3 274 B16R0.303 CCCCCCCCSCCCCCCCC Amb9787326 [0,2,0,0,0,0|1,0,0]=3 275 B16R0.303 CCCCCCCOCCOCCOCCO Amb9787189 [0,2,0,0,0,0|1,0,0]=3 276 B16R0.303 CCCCCCCSCCOCCOCCO Amb9787497 [0,2,0,0,0,0|1,0,0]=3 277 B16R0.303 CCCCOCCOCCOCCOCCO Amb9787581 [0,2,0,0,0,0|2,0,0]=4 278 B16R0.303 CCCCOCCOCCSCCOCCO Amb9797846 [0,2,0,0,0,0|2,0,0]=4 279 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [0,2,0,0,0,0|0,0,2]=4 280 B16R0.303 CCCC\C=C\CCCCCCCCCC=O Amb9134745 [0,2,0,0,0,0|0,0,2]=4 281 B16R0.303 OCCCCCCCCCCCCCCCBr Amb1818124 [0,2,0,0,0,0|0,0,0]=2 282 B16R0.661 CCCCCCCCCCCC(=O)NCCO Amb4015062 [0,2,0,0,0,0|0,0,1]=3 283 B16R0.661 CCCCCCCCCCCC(=O)OCCC Amb9787145 [0,2,0,0,0,0|1,0,1]=4 284 B16R0.661 CCCCCCCCCCCC(=O)OCCCl Amb9789397 [0,2,0,0,0,0|1,0,1]=4 285 B16R0.661 CCCCCCCCCCNC(=O)CCCCl Amb17324426 [0,2,0,0,0,0|1,0,1]=4 286 B16R0.6603 CCCCCCCCCC(=O)CCCCCC Amb6366431 [0,2,0,0,0,0|1,0,0]=3 287 B16R0.6603 CCCCCCCCCC(O)CCCCCC Amb31030996 [0,2,0,0,0,0|1,0,0]=3 288 B16R0.165 O=C(O)CCCCCCCCCCC(F)CBr Amb22547636 [0,2,0,0,0,0|1,0,1]=4 289 B16R0.222 CCCCCCCCCCCCC(CO)CO Amb4466572 [0,2,0,0,0,0|0,0,0]=2 290 B16R0.222 CCCCCCCCCCCCN(CC)CC Amb9787379 [0,2,0,0,0,0|2,0,0]=4 291 B16R0.224 CCCCCCCCCCCCC(Br)C(=O)O Amb17939323 [0,2,0,0,0,0|0,0,1]=3 292 B16R0.224 CCCCCCCCCCCCC(N)C(=O)O Amb34912725 [0,2,0,0,0,0|0,0,1]=3 293 B16R0.224 CCCCCCCCCCCC[C@@H](N)C(=O)O Amb34912481 [0,2,0,0,0,0|0,0,1]=3 294 B16R0.224 CCCCCCCCCCCC[C@H](N)C(=O)O Amb34913958 [0,2,0,0,0,0|0,0,1]=3 295 B16R0.3292 CCCCCCCCCCCC[N+](C)(C)CC Amb8383493 [0,2,0,0,0,0|2,0,0]=4 296 B16R0.6606 CCCCCCCCCC(=O)OCC(O)CO Amb21928893 [0,2,0,0,0,0|1,0,1]=4 297 B16R0.194 CCCCCCC(C)NC(C)CCCCCC Amb9612092 [0,2,0,0,0,0|2,0,0]=4 298 B16R0.6401 CCCCCCCCC(CBr)CCCCCC Amb21520314 [0,2,0,0,0,0|1,0,0]=3 299 B16R0.6401 CCCCCCCCC(CO)CCCCCC Amb17614956 [0,2,0,0,0,0|1,0,0]=3 300 B16R0.1188 CCCCCCCCCCCCOC(C)(C)C Amb34890468 [0,2,0,0,0,0|2,0,0]=4 301 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22337025 [0,2,0,0,0,0|2,0,0]=4 302 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb22348217 [0,2,0,0,0,0|2,0,0]=4 303 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O Amb34916643 [0,2,0,0,0,0|2,0,0]=4 304 B14R1.40 CCCCCCCCCC1OCCO1 Amb8383458 [1,0,0,1,0,0|1,0,0]=3 305 B14R1.40 CCCCCCCCNC1CCCC1 Amb7757201 [1,0,0,1,0,0|1,0,0]=3 306 B14R1.40 CCCCCCNCCN1CCCC1 Amb7760963 [1,0,0,1,0,0|2,0,0]=4 307 B14R1.87 CCCCOC1CCCCCCC1Br Amb33357457 [1,0,0,1,0,0|2,0,0]=4 308 B14R1.87 CCCCOC1CCCCCCC1I Amb33349646 [1,0,0,1,0,0|2,0,0]=4 309 B14R1.123 CCCCCCCCC1CCCCC1 Amb22733702 [1,0,0,1,0,0|0,0,0]=2 310 B14R1.123 CCCCCCCCC1CCCCN1 Amb3788658 [1,0,0,1,0,0|1,0,0]=3 311 B14R1.123 CCCCCCCCC1CCCNC1 Amb22642854 [1,0,0,1,0,0|1,0,0]=3 312 B14R1.123 CCCCCCCCC1CCCNC1 Amb35745609 [1,0,0,1,0,0|1,0,0]=3 313 B14R1.123 CCCCCCCCC1CCNCC1 Amb35745610 [1,0,0,1,0,0|1,0,0]=3 314 B14R1.123 CCCCCCCCC1CCNCC1 Amb3933583 [1,0,0,1,0,0|1,0,0]=3 315 B14R1.123 CCCCCCCCN1CCCCC1 Amb9787488 [1,0,0,1,0,0|1,0,0]=3 316 B14R1.123 CCCCCCCCN1CCNCC1 Amb2689973 [1,0,0,1,0,0|2,0,0]=4 317 B14R1.123 CCCCCCCCN1CCOCC1 Amb9787483 [1,0,0,1,0,0|2,0,0]=4 318 B14R1.123 CCCCCCCNC1CCCCC1 Amb7757187 [1,0,0,1,0,0|1,0,0]=3 319 B14R1.123 CCCCCOCCC1CCNCC1 Amb21956726 [1,0,0,1,0,0|2,0,0]=4 320 B14R1.123 CCCCNCCNC1CCCCC1 Amb2694368 [1,0,0,1,0,0|2,0,0]=4 321 B14R1.123 CNCCCCCCN1CCCCC1 Amb2680838 [1,0,0,1,0,0|2,0,0]=4 322 B14R1.123 COCCCCCNC1CCCCC1 Amb33133267 [1,0,0,1,0,0|2,0,0]=4 323 B14R1.123 NCCCNCCCC1CCCCC1 Amb18105041 [1,0,0,1,0,0|2,0,0]=4 324 B14R1.123 OCCCCCNCC1CCCCC1 Amb876062 [1,0,0,1,0,0|1,0,0]=3 325 B14R1.123 OCCCNCCCN1CCCCC1 Amb20573567 [1,0,0,1,0,0|2,0,0]=4 326 B14R1.123 OCCCOCCCN1CCCCC1 Amb10610375 [1,0,0,1,0,0|2,0,0]=4 327 B14R1.123 OCCNCCNCC1CCCCC1 Amb9172697 [1,0,0,1,0,0|2,0,0]=4 328 B14R1.123 OCCOCCNCC1CCCCC1 Amb6736111 [1,0,0,1,0,0|2,0,0]=4 329 B14R1.138 CCCCCOC1CCCCCC1Br Amb33347770 [1,0,0,1,0,0|2,0,0]=4 330 B14R1.138 CCCCCOC1CCCCCC1I Amb32716207 [1,0,0,1,0,0|2,0,0]=4 331 B14R1.216 CCCCCCCCC1CCCC1=O Amb6337658 [1,0,0,1,0,0|0,0,2]=4 332 B14R1.216 CCCCCCCOC1CCCC1Br Amb33348494 [1,0,0,1,0,0|2,0,0]=4 333 B14R1.216 CCCCCCCOC1CCCC1I Amb33348914 [1,0,0,1,0,0|2,0,0]=4 334 B14R1.217 CCCCCCCCN1CCC1CN Amb33252158 [1,0,0,1,0,0|2,0,0]=4 335 B14R1.230 CCCCCCCCC[C@@H]1O[C@H]1CO Amb24308872 [1,0,0,1,0,0|1,0,0]=3 336 B14R1.247 CC1CCCCCCCCCCC1=O Amb540121 [1,0,0,1,0,0|0,0,2]=4 337 B14R1.247 CC1CCCCCCCCCCC1O Amb27164153 [1,0,0,1,0,0|0,0,0]=2 338 B14R1.247 O=C1CCCCCCCCCCC1O Amb4017908 [1,0,0,1,0,0|1,0,1]=4 339 B14R1.247 OC1CCCCCCCCCCC1Cl Amb4010586 [1,0,0,1,0,0|1,0,0]=3 340 B14R1.247 OC1CCCCCCCCCCC1O Amb22729167 [1,0,0,1,0,0|1,0,0]=3 341 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O Amb27456640 [1,0,0,1,0,0|1,0,0]=3 342 B14R1.247 O[C@H]1CCCCCCCCCC[C@H]1O Amb3989265 [1,0,0,1,0,0|1,0,0]=3 343 B14R1.256 CCCN1CCCCCCNCCC1 Amb32794981 [1,0,0,1,0,0|2,0,0]=4 344 B14R1.256 NCCC1CCCCCCCCCC1 Amb27229464 [1,0,0,1,0,0|1,0,0]=3 345 B14R1.274 CCNC1CCCCCCC1OCC Amb17606051 [1,0,0,1,0,0|2,0,0]=4 346 B14R1.476 CCC1CCCCN1CCCCCN Amb5357884 [1,0,0,1,0,0|2,0,0]=4 347 B14R1.476 CCCCCCN1CCNCC1CO Amb17578914 [1,0,0,1,0,0|2,0,0]=4 348 B14R1.476 CCCCNCC1CCCCN1CC Amb5493946 [1,0,0,1,0,0|2,0,0]=4 349 B14R1.476 CCCNCCN1CCCCC1CC Amb19038055 [1,0,0,1,0,0|2,0,0]=4 350 B14R1.656 CCCCN1CCCCCNCCC1 Amb32794983 [1,0,0,1,0,0|2,0,0]=4 351 B14R1.845 CNC1CCCCCCCCCCC1 Amb1119036 [1,0,0,1,0,0|1,0,0]=3 352 B14R1.845 COC1CCCCCCCCCCC1 Amb8514867 [1,0,0,1,0,0|1,0,0]=3 353 B14R1.845 NCC1CCCCCCCCCCC1 Amb8950178 [1,0,0,1,0,0|1,0,0]=3 354 B14R1.845 NNC1CCCCCCCCCCC1 Amb6662858 [1,0,0,1,0,0|2,0,0]=4 355 B14R1.845 O=CC1CCCCCCCCCCC1 Amb26021430 [1,0,0,1,0,0|0,0,2]=4 356 B14R1.845 OCC1CCCCCCCCCCC1 Amb4016249 [1,0,0,1,0,0|0,0,0]=2 357 B14R1.845 [C-]#[N+]C1CCCCCCCCCCC1 Amb2686623 [1,0,0,1,0,0|1,0,1]=4 358 B14R1.882 CC1CCCCN1CCCCCCN Amb5357901 [1,0,0,1,0,0|2,0,0]=4 359 B14R1.882 CC1CCCCN1CCCNCCO Amb9755914 [1,0,0,1,0,0|2,0,0]=4 360 B14R1.882 CCCCCC#C[C@@H]1CCCC[C@H]1O Amb27876469 [1,0,0,1,0,0|0,0,2]=4 361 B14R1.882 CCCCCCCC1CCCCC1O Amb534143 [1,0,0,1,0,0|0,0,0]=2 362 B14R1.882 CCCCCCCN1CCNCC1C Amb19068139 [1,0,0,1,0,0|2,0,0]=4 363 B14R1.882 CCCCCCOC1CCCCC1Br Amb33349382 [1,0,0,1,0,0|2,0,0]=4 364 B14R1.882 CCCCCCOC1CCCCC1I Amb33349617 [1,0,0,1,0,0|2,0,0]=4 365 B14R1.882 CCOCCCNC1CCCCC1C Amb6700090 [1,0,0,1,0,0|2,0,0]=4 366 B14R1.882 COCCCCNC1CCCCC1C Amb19089788 [1,0,0,1,0,0|2,0,0]=4 367 B14R1.891 CCCCCCCCCOC1CNC1 Amb32941321 [1,0,0,1,0,0|2,0,0]=4 368 B14R1.904 CCCNCC1CCCCN1CCC Amb5493942 [1,0,0,1,0,0|2,0,0]=4 369 B14R1.904 CCNCCN1CCCCC1CCO Amb18316512 [1,0,0,1,0,0|2,0,0]=4 370 B14R1.911 CCCCN1CCCC1CNCCC Amb5493924 [1,0,0,1,0,0|2,0,0]=4 371 B14R1.1254 CCOCCNC1CCCCCCC1 Amb9241022 [1,0,0,1,0,0|2,0,0]=4 372 B14R1.1254 COCCCNC1CCCCCCC1 Amb6730168 [1,0,0,1,0,0|2,0,0]=4 373 B14R1.1254 CSCCCNC1CCCCCCC1 Amb6720518 [1,0,0,1,0,0|2,0,0]=4 374 B14R1.2352 CCCCCCCN1CCCNCC1 Amb7794157 [1,0,0,1,0,0|2,0,0]=4 375 B14R1.2352 CCCCCCNC1CCCCCC1 Amb6642130 [1,0,0,1,0,0|1,0,0]=3 376 B14R1.2352 CCOCCCNC1CCCCCC1 Amb6700079 [1,0,0,1,0,0|2,0,0]=4 377 B14R1.2352 COCCCCNC1CCCCCC1 Amb19089787 [1,0,0,1,0,0|2,0,0]=4 378 B14R1.2352 NCCCCCCN1CCCCCC1 Amb5357908 [1,0,0,1,0,0|2,0,0]=4 379 B14R1.2352 OCCCNCCN1CCCCCC1 Amb20414369 [1,0,0,1,0,0|2,0,0]=4 380 B14R1.2352 OCCNCCCN1CCCCCC1 Amb20573534 [1,0,0,1,0,0|2,0,0]=4 381 B14R1.2352 OCCOCCNC1CCCCCC1 Amb6736090 [1,0,0,1,0,0|2,0,0]=4 382 B14R1.2874 C1CCCCCCCCCCCCC1 Amb22230503 [1,0,0,1,0,0|0,0,0]=2 383 B14R1.2874 C1CCCNCCCCCCNCC1 Amb17595271 [1,0,0,1,0,0|2,0,0]=4 384 B14R1.4408 O=C1CCCCCCCCCCCO1 Amb9825923 [1,0,0,1,0,0|1,0,1]=4 385 B14R1.4408 OC1CCCCCCCCCCCC1 Amb27598545 [1,0,0,1,0,0|0,0,0]=2 386 B16R1.310 CCS[C@@H]1CCCCCCCCCC[C@H]1O Amb32406117 [0,1,0,1,0,0|0,0,0]=2 387 B16R1.643 CCCCCCCCCCC1CCCCC1 Amb22733703 [0,1,0,1,0,0|1,0,0]=3 388 B16R1.643 CCCCCCCCCCN1CCNCC1 Amb2686681 [0,1,0,1,0,0|2,0,0]=4 389 B16R1.643 CCCCCCCCCNC1CCCCC1 Amb7757729 [0,1,0,1,0,0|1,0,0]=3 390 B16R1.662 CCCCCCCCN1CCCCCC1=O Amb17844182 [0,1,0,1,0,0|0,0,2]=4 391 B16R1.662 CCCCCCCOC1CCCCCC1Br Amb33347763 [0,1,0,1,0,0|1,0,0]=3 392 B16R1.662 CCCCCCCOC1CCCCCC1I Amb33348124 [0,1,0,1,0,0|1,0,0]=3 393 B16R1.662 CCCCOCCOC1CCCCCC1Br Amb33347596 [0,1,0,1,0,0|2,0,0]=4 394 B16R1.662 CCCCOCCOC1CCCCCC1I Amb33348128 [0,1,0,1,0,0|2,0,0]=4 395 B16R1.1218 CCCCCCCCCN1CCNCC1C Amb19890883 [0,1,0,1,0,0|2,0,0]=4 396 B16R1.1218 CCCCCCCCOC1CCCCC1Br Amb33349407 [0,1,0,1,0,0|1,0,0]=3 397 B16R1.1218 CCCCCCCCOC1CCCCC1I Amb32710191 [0,1,0,1,0,0|1,0,0]=3 398 B16R1.1246 CCCCCCOC1CCCCCCC1Br Amb33348649 [0,1,0,1,0,0|1,0,0]=3 399 B16R1.1246 CCCCCCOC1CCCCCCC1I Amb33349660 [0,1,0,1,0,0|1,0,0]=3 400 B16R1.1246 CCCOCCOC1CCCCCCC1Br Amb33348655 [0,1,0,1,0,0|2,0,0]=4 401 B16R1.1246 CCCOCCOC1CCCCCCC1I Amb33349666 [0,1,0,1,0,0|2,0,0]=4 402 B16R1.8816 FC1=CCCCCCCCCCCCCC1 Amb22641508 [0,1,0,1,0,0|1,0,1]=4 403 B16R1.8816 O=C1CCCCCCCCCCCCCC1 Amb6357375 [0,1,0,1,0,0|0,0,1]=3 404 B16R1.8816 O=C1CCCCCCCCCCOCCO1 Amb533453 [0,1,0,1,0,0|1,0,1]=4 405 B16R1.8816 OC1CCCCCCCCCCCCCC1 Amb6357514 [0,1,0,1,0,0|0,0,0]=2 406 B16R1.17455 CCCCCCCCCCCCCC1CO1 Amb32665438 [0,1,0,1,0,0|0,0,0]=2 407 B16R1.17539 CCCCCCCCCN1CCCNCC1 Amb7794159 [0,1,0,1,0,0|2,0,0]=4 408 B16R1.17549 CCCCCCCCCN1CCC(CCl)C1 Amb32430449 [0,1,0,1,0,0|2,0,0]=4 409 B16R1.17549 CCCCCCCCCN1CCC(CN)C1 Amb32430450 [0,1,0,1,0,0|2,0,0]=4 410 B16R1.693 CC(CC1CCCCC1)NCCCCCO Amb33068333 [0,1,0,1,0,0|1,0,0]=3 411 B16R1.693 CC(CC1CCCCC1)NCCOCCO Amb33068326 [0,1,0,1,0,0|2,0,0]=4 412 B16R1.693 CCCCCCNC(C)CC1CCCCC1 Amb33068276 [0,1,0,1,0,0|2,0,0]=4 413 B16R1.4621 CCCCCCC(C)OC1CCCCC1Br Amb33349406 [0,1,0,1,0,0|2,0,0]=4 414 B16R1.4621 CCCCCCC(C)OC1CCCCC1I Amb32710147 [0,1,0,1,0,0|2,0,0]=4 415 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 Amb10807863 [0,1,0,1,0,0|0,0,1]=3 416 B16R1.390 CC(C)CCCCOC1CCCCCC1Br Amb32711972 [0,1,0,1,0,0|2,0,0]=4 417 B16R1.390 CC(C)CCCCOC1CCCCCC1I Amb32711958 [0,1,0,1,0,0|2,0,0]=4 418 B16R1.396 CC(C)CCCOC1CCCCCCC1Br Amb33348650 [0,1,0,1,0,0|2,0,0]=4 419 B16R1.396 CC(C)CCCOC1CCCCCCC1I Amb33349661 [0,1,0,1,0,0|2,0,0]=4 420 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 Amb1033013 [0,1,0,1,0,0|0,0,2]=4 421 B16R1.18167 CC(C)OC1CCCCCCCCCCC1 Amb22641496 [0,1,0,1,0,0|2,0,0]=4 422 B16R1.892 CCCC(C)COC1CCCCCCC1Br Amb33348651 [0,1,0,1,0,0|2,0,0]=4 423 B16R1.892 CCCC(C)COC1CCCCCCC1I Amb33349662 [0,1,0,1,0,0|2,0,0]=4 424 B16R1.37126 OC1(CCBr)CCCCCCCCCCC1 Amb33097435 [0,1,0,1,0,0|1,0,0]=3 425 B16R1.37126 OC1(CCCl)CCCCCCCCCCC1 Amb33097458 [0,1,0,1,0,0|1,0,0]=3 426 B16R2.69 BrC1CCCCCC1OC2CCCCC2 Amb26846406 [0,0,0,2,0,0|2,0,0]=4 427 B16R2.69 ClC1CCCCCC1CC2CCOCC2 Amb27875616 [0,0,0,2,0,0|2,0,0]=4 428 B16R2.69 IC1CCCCCC1OC2CCCCC2 Amb27662585 [0,0,0,2,0,0|2,0,0]=4 429 B16R2.69 NC1CCCCCC1CN2CCCCC2 Amb17490377 [0,0,0,2,0,0|2,0,0]=4 430 B16R2.69 O=C1CCCCCC1CC2CCCCO2 Amb27663883 [0,0,0,2,0,0|1,0,1]=4 431 B16R2.71 BrC1CCCCC1CCC2CCCCC2 Amb27826786 [0,0,0,2,0,0|1,0,0]=3 432 B16R2.71 BrC1CCCCC1CCC2CCCCO2 Amb30036734 [0,0,0,2,0,0|1,0,0]=3 433 B16R2.71 BrC1CCCCC1CCC2CCOCC2 Amb28124588 [0,0,0,2,0,0|2,0,0]=4 434 B16R2.71 BrC1CCCCC1OCC2CCCCC2 Amb27827719 [0,0,0,2,0,0|2,0,0]=4 435 B16R2.71 BrC1CCCCC1OCC2CCCCO2 Amb25963390 [0,0,0,2,0,0|2,0,0]=4 436 B16R2.71 BrC1CCOCC1CCC2CCCCO2 Amb30036735 [0,0,0,2,0,0|2,0,0]=4 437 B16R2.71 ClC1CCCCC1CCC2CCCCO2 Amb30036732 [0,0,0,2,0,0|1,0,0]=3 438 B16R2.71 ClC1CCOCC1CCC2CCCCO2 Amb30036733 [0,0,0,2,0,0|2,0,0]=4 439 B16R2.71 IC1CCCCC1OCC2CCCCC2 Amb25292047 [0,0,0,2,0,0|2,0,0]=4 440 B16R2.71 IC1CCCCC1OCC2CCCCO2 Amb25880249 [0,0,0,2,0,0|2,0,0]=4 441 B16R2.71 O=C1CCCCC1CCC2CCCCO2 Amb30020331 [0,0,0,2,0,0|1,0,1]=4 442 B16R2.71 OC1CCCCC1NCC2CCCCC2 Amb8392556 [0,0,0,2,0,0|1,0,0]=3 443 B16R2.71 OC1CCCCC1NCC2CCOCC2 Amb18298454 [0,0,0,2,0,0|2,0,0]=4 444 B16R2.71 OC1CCCCC1OCC2CCOCC2 Amb34930424 [0,0,0,2,0,0|2,0,0]=4 445 B16R2.98 NCCC1CCCCN1C2CCCCC2 Amb18773372 [0,0,0,2,0,0|2,0,0]=4 446 B16R2.98 OCCC1CCCCN1C2CCNCC2 Amb17134537 [0,0,0,2,0,0|2,0,0]=4 447 B16R2.98 OCCC1CNCCN1C2CCCCC2 Amb19719328 [0,0,0,2,0,0|2,0,0]=4 448 B16R2.156 NCCCC1CCCC1N2CCCCC2 Amb18773380 [0,0,0,2,0,0|2,0,0]=4 449 B16R2.169 CCC1CCNC1CCC2CCCCC2 Amb3789022 [0,0,0,2,0,0|2,0,0]=4 450 B16R2.172 ClCC1CCCCN1CC2CCCCC2 Amb27485009 [0,0,0,2,0,0|2,0,0]=4 451 B16R2.172 OCC1CCCCC1CN2CCNCC2 Amb2095289 [0,0,0,2,0,0|2,0,0]=4 452 B16R2.172 OCC1CCCCC1NC2CCCCC2 Amb18657149 [0,0,0,2,0,0|1,0,0]=3 453 B16R2.172 OCC1CNCCN1CC2CCCCC2 Amb31135321 [0,0,0,2,0,0|2,0,0]=4 454 B16R2.2211 C1CCCC(CC2CCCCN2)CCC1 Amb22642845 [0,0,0,2,0,0|1,0,0]=3 455 B16R2.2211 C1CCCC(CC2CCCCN2)CCC1 Amb35746813 [0,0,0,2,0,0|1,0,0]=3 456 B16R2.2211 C1CCCC(CC2CCCNC2)CCC1 Amb22642843 [0,0,0,2,0,0|2,0,0]=4 457 B16R2.2211 C1CCCC(CC2CCNCC2)CCC1 Amb22642844 [0,0,0,2,0,0|2,0,0]=4 458 B16R2.2256 C1CCC(CCCC2CCCCN2)NC1 Amb8387387 [0,0,0,2,0,0|2,0,0]=4 459 B16R2.2256 C1CCC(CNCC2CCCCC2)CC1 Amb8951279 [0,0,0,2,0,0|2,0,0]=4 460 B16R2.2256 C1CCC(OCCC2CCCCN2)CC1 Amb9212435 [0,0,0,2,0,0|2,0,0]=4 461 B16R2.2256 C1CCC(SCCC2CCCCN2)CC1 Amb22395640 [0,0,0,2,0,0|2,0,0]=4 462 B16R2.5334 C1CCC(CNC2CCCCCC2)CC1 Amb6658440 [0,0,0,2,0,0|2,0,0]=4 463 B16R2.5334 C1CCCN(CCC2CCCCN2)CC1 Amb1102372 [0,0,0,2,0,0|2,0,0]=4 464 B16R2.50359 OCCNCC1CCCN2CCCCC12 Amb22757801 [0,0,0,2,0,0|2,0,0]=4 465 B16R2.50359 OCCNC[C@@H]1CCCN2CCCCC12 Amb28994046 [0,0,0,2,0,0|2,0,0]=4 466 B16R2.50359 OCCNC[C@@H]1CCCN2CCCC[C@H]12 Amb28520780 [0,0,0,2,0,0|2,0,0]=4 467 B16R2.3305 BrC1CCCCCC1CCC2CCCC2 Amb28248906 [0,0,0,2,0,0|1,0,0]=3 468 B16R2.3305 BrC1CCCCCC1CCC2CCCO2 Amb27604644 [0,0,0,2,0,0|1,0,0]=3 469 B16R2.3305 BrC1CCCCCC1CCC2CCOC2 Amb27464872 [0,0,0,2,0,0|2,0,0]=4 470 B16R2.3305 BrC1CCCCCC1OCC2CCCC2 Amb27231273 [0,0,0,2,0,0|2,0,0]=4 471 B16R2.3305 BrC1CCCCCC1OCC2CCCO2 Amb24634516 [0,0,0,2,0,0|2,0,0]=4 472 B16R2.3305 ClC1CCCCCC1NCC2CCCC2 Amb27633755 [0,0,0,2,0,0|2,0,0]=4 473 B16R2.3305 IC1CCCCCC1OCC2CCCC2 Amb26591859 [0,0,0,2,0,0|2,0,0]=4 474 B16R2.3305 IC1CCCCCC1OCC2CCCO2 Amb25133359 [0,0,0,2,0,0|2,0,0]=4 475 B16R2.3305 O=C1CCCCCC1CCC2CCCO2 Amb27779024 [0,0,0,2,0,0|1,0,1]=4 476 B16R2.3983 CC1CCCCN1C2CCCCCC2N Amb1128501 [0,0,0,2,0,0|2,0,0]=4 477 B16R2.3983 O=C1CCCCCC1C2CCCCC2O Amb27410921 [0,0,0,2,0,0|1,0,1]=4 478 B16R2.8585 COC1CCCC1C2CCCCCC2Br Amb27979853 [0,0,0,2,0,0|2,0,0]=4 479 B16R2.8585 COC1CCCC1C2CCCCCC2Cl Amb27401583 [0,0,0,2,0,0|2,0,0]=4 480 B16R2.23273 BrC1CCCCCC1C2CCCCCC2 Amb28070723 [0,0,0,2,0,0|1,0,0]=3 481 B16R2.23286 BrC1CCCCCC1OCCCC2CC2 Amb32711758 [0,0,0,2,0,0|2,0,0]=4 482 B16R2.23286 IC1CCCCCC1OCCCC2CC2 Amb32711773 [0,0,0,2,0,0|2,0,0]=4 483 B16R2.23302 BrC1CCCCCC1OCCC2CCC2 Amb33347775 [0,0,0,2,0,0|2,0,0]=4 484 B16R2.23302 IC1CCCCCC1OCCC2CCC2 Amb33348110 [0,0,0,2,0,0|2,0,0]=4 485 B16R2.2959 CC1CCCCN1CCCC2CCCN2 Amb17504902 [0,0,0,2,0,0|2,0,0]=4 486 B16R2.4062 CC1CCCCC1NC2CCCCC2O Amb33459878 [0,0,0,2,0,0|1,0,0]=3 487 B16R2.4062 OC1CCCCC1OC2CCCCC2F Amb32652746 [0,0,0,2,0,0|2,0,0]=4 488 B16R2.4062 O[C@@H]1CCCC[C@H]1O[C@@H]2CCCC[C@H]2F Amb32652804 [0,0,0,2,0,0|2,0,0]=4 489 B16R2.4062 O[C@H]1CCCC[C@@H]1O[C@H]2CCCC[C@@H]2F Amb35746784 [0,0,0,2,0,0|2,0,0]=4 490 B16R2.24848 BrC1CCCCC1OC2CCCCCC2 Amb26525689 [0,0,0,2,0,0|2,0,0]=4 491 B16R2.24848 CC1CCCCN1CC2CCCCCN2 Amb2235625 [0,0,0,2,0,0|2,0,0]=4 492 B16R2.24848 IC1CCCCC1OC2CCCCCC2 Amb24387168 [0,0,0,2,0,0|2,0,0]=4 493 B16R2.24848 NC1CCCCC1CN2CCCCCC2 Amb17490257 [0,0,0,2,0,0|2,0,0]=4 494 B16R2.24848 OC1CCCCC1NC2CCCCCC2 Amb33459876 [0,0,0,2,0,0|1,0,0]=3 495 B16R2.24525 BrC1CCCCCCC1OCC2CCC2 Amb32712390 [0,0,0,2,0,0|2,0,0]=4 496 B16R2.24525 IC1CCCCCCC1OCC2CCC2 Amb32712395 [0,0,0,2,0,0|2,0,0]=4 497 B16R2.2431 ClCC1CCCCCN1CC2CCCC2 Amb27421186 [0,0,0,2,0,0|2,0,0]=4 498 B16R2.2304 NCCC1CCCCN1CC2CCCO2 Amb18771589 [0,0,0,2,0,0|2,0,0]=4 499 B16R2.5337 C1=CC2COCC2CCCCCCCC1 Amb533407 [0,0,0,2,0,0|0,0,2]=4 500 B16R2.111 NCCCC1CCCCC1N2CCCC2 Amb18773381 [0,0,0,2,0,0|2,0,0]=4 501 B16R2.1480 CCC1CCCCC1NCC2CCCO2 Amb33044546 [0,0,0,2,0,0|1,0,0]=3 502 B16R2.1480 CCC1CCCCN1CCC2CCCN2 Amb17504856 [0,0,0,2,0,0|2,0,0]=4 503 B16R2.3251 BrC1CCCCCCC1OC2CCCC2 Amb26385055 [0,0,0,2,0,0|2,0,0]=4 504 B16R2.3251 IC1CCCCCCC1OC2CCCC2 Amb24383818 [0,0,0,2,0,0|2,0,0]=4 505 B16R2.5333 C1CCCC(NCC2CCCO2)CCC1 Amb838673 [0,0,0,2,0,0|1,0,0]=3 506 B16R2.5335 C1CCCN(CCCC2CCCN2)CC1 Amb17504900 [0,0,0,2,0,0|2,0,0]=4 507 B16R2.8597 ClCC1CCOC1C2CCCCCCC2 Amb28453616 [0,0,0,2,0,0|2,0,0]=4 508 B16R2.37494 ClCC1CCCC1NC2CCCCCC2 Amb28059412 [0,0,0,2,0,0|2,0,0]=4 509 B16R2.24524 BrC1CCCCCCC1OCCC2CC2 Amb33348637 [0,0,0,2,0,0|2,0,0]=4 510 B16R2.24524 IC1CCCCCCC1OCCC2CC2 Amb33349648 [0,0,0,2,0,0|2,0,0]=4 511 B16R2.7890 OCC1CNCCN1C2CCCCCC2 Amb31135349 [0,0,0,2,0,0|2,0,0]=4 512 B16R2.13582 O=C1CC2CCCCCCCCCCC12 Amb27830440 [0,0,0,2,0,0|0,0,2]=4 513 B16R2.23378 BrC1CCCC1OC2CCCCCCC2 Amb32711674 [0,0,0,2,0,0|2,0,0]=4 514 B16R2.23378 IC1CCCC1OC2CCCCCCC2 Amb32711676 [0,0,0,2,0,0|2,0,0]=4 515 B16R2.12829 BrC1CCCC1OCC2CCCCCC2 Amb25081682 [0,0,0,2,0,0|2,0,0]=4 516 B16R2.12829 IC1CCCC1OCC2CCCCCC2 Amb26435059 [0,0,0,2,0,0|2,0,0]=4 517 B16R2.211704 C1CCNC(CN2CCCCCC2)CC1 Amb2235513 [0,0,0,2,0,0|2,0,0]=4