0 B10R0.91 C#CCOC(=O)NCCCC D81823 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.91 C=CCOC(=O)CCCCC A50641 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.91 C=CCOC(=O)NCCCN F51395 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.91 CCCCCC(=O)OCCC D92174 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.91 CCCCOC(=O)CCCC D89067 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.5 CCCCC[C@@H](C)CCC T71919 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.5 CCCCNC(=O)CC#N D70031 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCNCC(=O)OCC 20892 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.5 CCC\C=C\C(=O)OCC D90567 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.5 CCOC(=O)CCCCBr 78992 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.5 CCOC(=O)COCCCl 30785 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.5 CCOC=CC(=O)OCC CL4510 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.5 CCO\C=C\C(=O)OCC F11937 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.18 CCCCC(N)CCCC 81547 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.18 CCCCC(O)CCCC D91684 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.18 CCCNC(=O)NCCC W13743 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.18 O=C(CCCCl)CCCCl O10356 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.45 CCCCC#CCCCC D73342 [1,0,0,0,0,0|1,0,2]=4 18 B9R0.45 CCCCCCCCCI D91171 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.45 CCCCCCCCCO D70513 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.45 CCCCCCCCNC O12029 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.45 CCCCCCCNCC D90566 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.45 CCCCNCCCCO D88720 [1,0,0,0,0,0|3,0,0]=4 23 B11R0.5 CCCCC(=O)CC(=O)OCC F16750 [0,1,0,0,0,0|2,0,1]=4 24 B11R0.46 CCCCOC(=O)CCC(C)=O D78070 [0,1,0,0,0,0|2,0,1]=4 25 B11R0.81 C=CCOC(=O)CCCCCC A50640 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.81 CCCCCCC(=O)OCCC D95754 [0,1,0,0,0,0|0,0,0]=1 27 B11R0.140 CCCCCC(=O)CCCCC D92760 [0,1,0,0,0,0|1,0,0]=2 28 B11R0.140 CCCCCC(N)CCCCC T72322 [0,1,0,0,0,0|2,0,1]=4 29 B11R0.140 CCCCCC(O)CCCCC T72127 [0,1,0,0,0,0|1,0,2]=4 30 B11R0.140 CCCCNC(=O)NCCCC F20434 [0,1,0,0,0,0|2,0,0]=3 31 B11R0.140 CCCCNC(=O)OCC#CI 33389 [0,1,0,0,0,0|1,0,2]=4 32 B11R0.140 CC\C=C\CC(=O)OCCCC D93332 [0,1,0,0,0,0|0,0,2]=3 33 B11R0.140 O=C(NCCCO)NCCCO D94806 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.900 CCCC[N+]1(C)CCCCC1 D70798 [0,0,0,1,0,0|3,0,0]=4 35 B8R0.1 C#CCCC(=O)OCC 90044 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.1 C=CCCC(=O)OCC H10612 [2,0,0,0,0,0|0,0,2]=4 37 B8R0.1 CCC#CC(=O)OCC AB21618 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.1 CCOC(=O)CCCBr F11167 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.1 CCOC(=O)CCCI 74907 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.1 CCOC(=O)CCCN 20516 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.1 CCOC(=O)CCNC 30981 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.1 CCOC(=O)CCOC D91424 [2,0,0,0,0,0|1,0,0]=3 43 B8R0.1 CCOC(=O)CCSC D90571 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.1 CCOC(=O)NCCCl 61494 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.1 CCOCC(=O)OCC D81905 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.4 CCCCCCCCCl D97411 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.4 CCCCCCCCI W18672 [2,0,0,0,0,0|1,0,1]=4 48 B8R0.4 CCCCCCCCN D91873 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.4 CCCCCCCCN D91878 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.4 CCCCCCCNC D82019 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.4 CCCCC\C=C\CO D91843 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.4 CCCC[SnH4+2]CCCC D95293 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.4 CCCC[SnH4+2]CCCC D95356 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.4 CCOCCOCCBr D97193 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.4 CCOCCOCCO D72502 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.6 C#CCCCC(=O)OC C90747 [2,0,0,0,0,0|0,0,2]=4 57 B8R0.6 C=CC(=O)CCCCC D71008 [2,0,0,0,0,0|0,0,2]=4 58 B8R0.6 C=CCCCC(=O)OC H11902 [2,0,0,0,0,0|0,0,2]=4 59 B8R0.6 CCCCC[C@@H](O)CC D78240 [2,0,0,0,0,0|0,0,2]=4 60 B8R0.6 CCCCNC(=O)CC D88679 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.6 CCCCNC(=O)CCl 23765 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.6 CCCCOC(=O)CN F52077 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.6 CCCCOC(=O)CO D70201 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.6 CCC\C=C\C(=O)OC 28979 [2,0,0,0,0,0|0,0,2]=4 65 B8R0.6 CCC\C=C\C(=O)OC AC7684 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.6 CCNCCC(=O)OC 31591 [2,0,0,0,0,0|1,0,0]=3 67 B8R0.6 CC\C=C\CC(=O)OC D93382 [2,0,0,0,0,0|0,0,2]=4 68 B8R0.6 CNCCCC(=O)OC AB9747 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.6 COC(=O)CCCC#N 32622 [2,0,0,0,0,0|1,0,1]=4 70 B8R0.6 COC(=O)CCCCBr 76669 [2,0,0,0,0,0|1,0,0]=3 71 B8R0.6 COC(=O)CCCCCl D75917 [2,0,0,0,0,0|1,0,0]=3 72 B8R0.6 COC(=O)CCCCN 76218 [2,0,0,0,0,0|1,0,0]=3 73 B8R0.6 COC(=O)COCCCl 39408 [2,0,0,0,0,0|2,0,0]=4 74 B8R0.6 COCCCC(=O)OC F14920 [2,0,0,0,0,0|1,0,0]=3 75 B10R0.1 CCOC(=O)CCCCC=O N10652 [1,1,0,0,0,0|0,0,1]=3 76 B10R0.1 CCOC(=O)CCCCCBr 73728 [1,1,0,0,0,0|0,0,0]=2 77 B10R0.1 CCOC(=O)CCCCCN V10012 [1,1,0,0,0,0|0,0,0]=2 78 B10R0.1 CCOC(=O)CCCCCO A11137 [1,1,0,0,0,0|0,0,0]=2 79 B10R0.1 CCOC(=O)COCCCCl AC8364 [1,1,0,0,0,0|1,0,0]=3 80 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [1,1,0,0,0,0|0,0,0]=2 81 B10R0.2 CCOC(=N)CC(=O)OCC 89099 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.2 CCOC(=O)CC(=O)COC 74076 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.2 CCOC(=O)CC(=O)OCC D78522 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [1,1,0,0,0,0|1,0,0]=3 85 B10R0.2 CCOC(=O)C[C@H](O)CC#N 28252 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.2 CCOC(=O)C[C@H](O)CC#N 60923 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [1,1,0,0,0,0|1,0,1]=4 88 B10R0.3 CCOC(=O)CCCC(=O)Cl D90519 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [1,1,0,0,0,0|0,0,1]=3 91 B10R0.6 CCCCCC(=O)OC(C)C D89305 [1,1,0,0,0,0|0,0,0]=2 92 B10R0.6 CCCOCC(=O)OC(C)C D81295 [1,1,0,0,0,0|1,0,0]=3 93 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [1,1,0,0,0,0|0,0,1]=3 94 B10R0.19 CCCCC(O)C(C)CCC 74028 [1,1,0,0,0,0|1,0,1]=4 95 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [1,1,0,0,0,0|0,0,0]=2 96 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [1,1,0,0,0,0|1,0,0]=3 97 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [1,1,0,0,0,0|1,0,0]=3 99 B10R0.83 CCCCOC(=O)[C@@H](C)CC D95649 [1,1,0,0,0,0|1,0,0]=3 100 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [1,1,0,0,0,0|1,0,1]=4 101 B10R0.78 CCCCC(=O)OCC(C)C D95777 [1,1,0,0,0,0|0,0,0]=2 102 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [1,1,0,0,0,0|0,0,1]=3 103 B10R0.71 CCCCCCCCCCI D95272 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.71 CCCCCCCCCCN C93407 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.71 CCCCCCCCCCS D94658 [1,1,0,0,0,0|1,0,1]=4 106 B10R0.71 CCCCC\C=C\CCCO D90033 [1,1,0,0,0,0|1,0,0]=3 107 B10R0.71 CCCCOCOCCCC D89913 [1,1,0,0,0,0|1,0,1]=4 108 B12R0.103 CCCCC(=O)OC(=O)CCCC E70315 [0,2,0,0,0,0|1,0,1]=4 109 B12R0.103 CCCOC(=O)CC(=O)OCCC H11316 [0,2,0,0,0,0|0,0,1]=3 110 B12R0.239 CCCCC[C@H](C)OC(=O)CCC D93438 [0,2,0,0,0,0|1,0,1]=4 111 B12R0.351 CCCC[C@H](CC)C(=O)OCCO D94283 [0,2,0,0,0,0|1,0,0]=3 112 B12R0.114 CCOC(=O)C(=O)CCCCCCl AC2328 [0,2,0,0,0,0|2,0,0]=4 113 B12R0.206 CCCCCCCC(=O)OCCC D92187 [0,2,0,0,0,0|0,0,0]=2 114 B12R0.233 CCCCCC(=O)OCCC(C)C D90799 [0,2,0,0,0,0|0,0,0]=2 115 B12R0.634 CCCCOS(=O)(=O)OCCCC D95290 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.11 CCNC(=O)[C@@H]1CCCN1 73274 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.11 CCOC(=O)C1CC=CC1 H11362 [1,0,0,1,0,0|0,0,2]=4 119 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [1,0,0,1,0,0|1,0,0]=3 121 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [1,0,0,1,0,0|1,0,0]=3 122 B10R1.11 CCOC(=O)[C@@H]1CSCN1 F17226 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [1,0,0,1,0,0|1,0,0]=3 124 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [1,0,0,1,0,0|1,0,0]=3 125 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [1,0,0,1,0,0|1,0,0]=3 126 B10R1.29 CCCCN1CCCC1=O 56158 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.29 NCCCN1CCCC1=O C16349 [1,0,0,1,0,0|2,0,0]=4 128 B10R1.29 O=C1CCCN1CCCO D87262 [1,0,0,1,0,0|2,0,0]=4 129 B10R1.135 CCOC(=O)C1CC1C=O C73848 [1,0,0,1,0,0|1,0,1]=4 130 B10R1.137 CCOC(=O)C=C1CCC1 RB3329 [1,0,0,1,0,0|0,0,2]=4 131 B10R1.137 CCOC(=O)CC1CCC1 83274 [1,0,0,1,0,0|0,0,0]=2 132 B10R1.138 CCCC(=O)OC[C@H]1CO1 23071 [1,0,0,1,0,0|2,0,0]=4 133 B10R1.138 CCCC(=O)OC[C@H]1CO1 F20484 [1,0,0,1,0,0|2,0,0]=4 134 B10R1.138 CCOC(=O)CNC1CC1 20926 [1,0,0,1,0,0|1,0,0]=3 135 B10R1.377 CCC[N+]1(C)CCCCC1 D80435 [1,0,0,1,0,0|2,0,0]=4 136 B10R1.4 CCC[C@H]1CCCCC1=O D92072 [1,0,0,1,0,0|1,0,0]=3 137 B10R1.4 NCCN1CCCCC1=O D93343 [1,0,0,1,0,0|2,0,0]=4 138 B12R1.18 NCCCN1CCCCCC1=O F14229 [0,1,0,1,0,0|1,0,0]=3 139 B12R1.567 CCCCCC1=C(C)CCC1=O D89856 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.41 C1CCC2=NCCCN2CC1 D72474 [0,0,0,2,0,0|2,0,0]=4 141 B12R2.41 C1CCC2=NCCCN2CC1 F16664 [0,0,0,2,0,0|2,0,0]=4 142 B12R2.24 O=C1CCC2CCCCC2O1 D73280 [0,0,0,2,0,0|0,0,0]=2 143 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 D82569 [0,0,0,2,0,0|2,0,0]=4 144 B12R2.1154 CN1C2CCCC1CC(=O)C2 28924 [0,0,0,2,0,0|2,0,0]=4 145 B12R2.3288 O=C(CNC1CC1)NC2CC2 D84568 [0,0,0,2,0,0|2,0,0]=4