0 B9R0.45 BrCCCCCCCCBr D60579 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C#CCCCCCCCO N50499 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 CCCCCCCCNC M50621 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 CCCCCCCNCC E50620 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.45 NCCOCCOCCO A36621 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 OCCCCCCC#CI I1888 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.45 OCCCCCCCCBr B47189 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.45 OCCCCCCCCCl C47190 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.45 OCCCCCCCCO X39448 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.45 OCCOCCOCCCl C39206 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.4 BrCCCCCCCBr D43869 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.4 C#CCCCCCCO O5669 [1,0,0,0,0,0|0,0,3]=4 13 B8R0.4 C=CCCCCCCCl C47108 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.4 CCCCCCCNC M47212 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 CCOCCOCCO E60752 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.4 COCCCCCCBr B43941 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 OCCCCCCCBr B43940 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.4 OCCCNCCCO A37173 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.1 CCOC(=O)CCCCCO E47160 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.4 CCCCCCCCB(O)O O4860 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.4 CCCCCC\C=C\B(O)O O4840 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.71 BrCCCCCCCCCBr D50565 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.71 ClCCCCCCCCCCl D50566 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.71 OCCCCCCCCCBr B50608 [0,1,0,0,0,0|0,0,2]=3 26 B10R0.71 OCCOCCCCCCCl C61799 [0,1,0,0,0,0|1,0,2]=4 27 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.74 COC(=O)CCCCCCBr M47141 [0,1,0,0,0,0|2,0,1]=4 29 B10R0.74 COC(=O)CCCCCCN M49584 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.17 CCCCC1CCNCC1 B0923 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.17 OCCCC1CCNCC1 P13257 [0,0,0,1,0,0|1,0,1]=3 35 B10R1.17 OCCCN1CCCCC1 P16239 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.17 OCCCN1CCOCC1 H23709 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.85 OCCN1CCCCCC1 A47168 [0,0,0,1,0,0|1,0,2]=4 40 B7R0.1 BrCCCCCCBr D41534 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.1 C#CCCCCCO H67855 [2,0,0,0,0,0|0,0,2]=4 42 B7R0.1 C=CCCCCCBr B43831 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.1 C=CCCCCNC M43901 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.1 C=CCCCCNC M46504 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.1 CCCCCCCBr B43897 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.1 CCCCCCC[Mg+] H31707 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.1 ClCCCCCCBr B39200 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.1 ClCCCCCCI C38559 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 ICCCCCCI D41535 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.1 NCCCCCCN H68834 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 NCCCCCCO A36606 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.1 NCCCNCCO H38578 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.1 OCCCCCCBr B41603 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.1 OCCCCCCCl C64682 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.1 OCCCCCCI I4468 [2,0,0,0,0,0|1,0,0]=3 56 B9R0.2 CC(=O)OCCCCCBr B43861 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.2 CC(C)NCCCCCO I38899 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.2 CCCCCCCB(O)O H43957 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.2 O=C(O)CCCCCCO H36659 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.5 CCC=CCC(=O)OCC E47083 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.5 CCOC(=O)CCCCBr E39295 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.5 CCOC(=O)CCCCN E46517 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.46 C=CC(=O)NCCCCO H43842 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.46 CC[C@H](C)CCCCCO M50614 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.46 COC(=O)CCCCCBr M39296 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.46 COC(=O)CCCCCN M67967 [1,1,0,0,0,0|2,0,0]=4 67 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.4 CC\C=C/CCOC(=O)CCC H39623 [0,2,0,0,0,0|1,0,1]=4 70 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,2,0,0,0,0|1,0,1]=4 71 B11R0.3 C=CCCCCCCCCCO U55141 [0,2,0,0,0,0|0,0,2]=4 72 B11R0.3 CCCCCCCCCCCO U67607 [0,2,0,0,0,0|0,0,2]=4 73 B11R0.3 OCCCCCCCCCCBr B53359 [0,2,0,0,0,0|0,0,2]=4 74 B9R1.8 BrCCC1CCCCC1 B0374 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.8 CCCC1CCNCC1 P49579 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.8 CCC[C@H]1CCCCN1 P49580 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.8 ICCC1CCCCC1 I0264 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.8 NCCC1CCCCC1 C49581 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.8 NCCC1CCOCC1 A1671 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 NCCC1CCOCC1 T46515 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.8 OCCC1CCNCC1 P24598 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.8 OCCC1CCOCC1 H10319 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 OCCN1CCNCC1 H13372 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.8 OCC[C@H]1CCCCN1 P39300 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.8 OCC[C@H]1CCCCN1 P43911 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.8 OCC[C@H]1CCCCN1 P46511 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.8 OCC[C@H]1CCCNC1 P69769 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.12 N#C\C=C\C1CCCC1 C24427 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.12 OCCCN1CCCC1 P43909 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.14 CCN1CCC[C@@H]1CN A15583 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.14 CCN1CCC[C@@H]1CN A15585 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.14 CCN1CCC[C@H]1CN A15584 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.15 CN1CCCC[C@@H]1CO M43912 [1,0,0,1,0,0|1,0,1]=4 96 B9R1.15 CN1CCCC[C@@H]1CO M43916 [1,0,0,1,0,0|1,0,1]=4 97 B9R1.15 CN1CCCC[C@H]1CO M43917 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.16 C=CCCC[C@@H]1C[C@H]1O P66476 [1,0,0,1,0,0|0,0,2]=4 100 B9R1.33 CN1CCC[C@@H]1CCO M24819 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [1,0,0,1,0,0|1,0,0]=3 102 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [1,0,0,1,0,0|0,0,0]=2 103 B9R1.89 COC1=NCCCCC1 M43840 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.89 NCC1CCCCCC1 C49582 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.89 OC[C@H]1CCCCNC1 A15700 [1,0,0,1,0,0|1,0,1]=4 107 B11R1.4 OCCCCO[C@@H]1CCCO1 T47162 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.199 CCOC(=O)C1CCCC1N E49570 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.28 BrCCCO[C@@H]1CCCCO1 B47142 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.28 OCCCCN1CCOCC1 M47175 [0,1,0,1,0,0|1,0,1]=4 120 B11R2.18 C1CCC2=[N+](CC1)CCO2 H65021 [0,0,0,2,0,0|2,0,0]=4 121 B11R2.36 OC1CCC2CNCC2C1 X10547 [0,0,0,2,0,0|1,0,1]=4 122 B11R2.36 O[C@@H]1CC[C@@H]2CNC[C@@H]2C1 H14857 [0,0,0,2,0,0|1,0,1]=4 123 B11R2.36 O[C@H]1CC[C@@H]2CNC[C@@H]2C1 H14856 [0,0,0,2,0,0|1,0,1]=4 124 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 X47116 [0,0,0,2,0,0|1,0,1]=4 125 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 X49564 [0,0,0,2,0,0|1,0,1]=4 126 B11R2.1261 C1CNC[C@@]2(C1)CCCO2 X13926 [0,0,0,2,0,0|1,0,1]=4 127 B11R2.1261 C1CNC[C@@]2(C1)CCCO2 X64306 [0,0,0,2,0,0|1,0,1]=4 128 B11R2.1261 C1COC2(C1)CCNCC2 X20255 [0,0,0,2,0,0|1,0,1]=4 129 B11R2.1261 C1COC2(C1)CCNCC2 X6189 [0,0,0,2,0,0|1,0,1]=4