0 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.4 CCCCCCCCB(O)O O4860 [1,0,0,0,0,0|1,0,1]=3 2 B10R0.4 CCCCCCCCC(C)=O D53335 [1,0,0,0,0,0|0,0,0]=1 3 B10R0.4 NCCCCCCCC(=O)O A69217 [1,0,0,0,0,0|1,0,0]=2 4 B10R0.4 NCCOCCOCC(=O)O A41596 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.4 NCCOCCOCC(=O)O A43505 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.4 O=C(O)CCCCCCCBr B47140 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 O=C(O)COCCOCCCl C61801 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.74 CCCCCCCC(=O)NO X67416 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.74 COC(=O)CCCCCCBr M47141 [1,0,0,0,0,0|1,0,0]=2 12 B10R0.74 COC(=O)CCCCCCN M49584 [1,0,0,0,0,0|1,0,0]=2 13 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,1,0,0,0,0|1,0,0]=2 14 B12R0.1 CCOC(=O)CCCCCN=[N+]=[N-] E9808 [0,1,0,0,0,0|3,0,0]=4 15 B12R0.183 COC(=O)CCCCCC(=O)OC D31456 [0,1,0,0,0,0|1,0,1]=3 16 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [0,1,0,0,0,0|1,0,1]=3 17 B12R0.184 COC(=O)CCNCCCN(C)C M50612 [0,1,0,0,0,0|2,0,0]=3 18 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.1 CCCCCC1CCC(=O)CC1 P55088 [0,0,0,1,0,0|1,0,0]=2 20 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 M47106 [0,0,0,1,0,0|2,0,0]=3 22 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [0,0,0,1,0,0|1,0,1]=3 23 B12R1.371 COC(=O)CC1CNCCC1C M30168 [0,0,0,1,0,0|1,0,0]=2 24 B9R0.2 CC(=O)OCCCCCBr B43861 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.2 CCCCCCCB(O)O H43957 [2,0,0,0,0,0|1,0,1]=4 26 B9R0.2 NCCCCCCC(=O)O A46516 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.2 NCCCCCCC(=O)O A67452 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.2 O=C(O)CCCCCCBr B43862 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.2 O=C(O)CCCCCCO H36659 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.45 C=CCCCCCCCCl C50527 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.45 CCCCCCCCC[Mg+] N31713 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.45 CCCCCCCCNC M50621 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 CCCCCCCNCC E50620 [2,0,0,0,0,0|1,0,1]=4 34 B9R0.45 OCCCCCCCCBr B47189 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.45 OCCCCCCCCCl C47190 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.45 OCCCCCCCCO X39448 [2,0,0,0,0,0|1,0,1]=4 37 B9R0.46 COC(=O)CCCCCBr M39296 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.46 COC(=O)CCCCCN M67967 [2,0,0,0,0,0|1,0,0]=3 39 B11R0.30 CC(=O)CCCCCCC(C)=O D53269 [1,1,0,0,0,0|0,0,1]=3 40 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O A66071 [1,1,0,0,0,0|0,0,2]=4 41 B11R0.42 C=CCCCCC[C@H](N)C(=O)O A50531 [1,1,0,0,0,0|0,0,2]=4 42 B11R0.46 CCCCC[C@H](C)CCC(=O)O M53337 [1,1,0,0,0,0|0,0,0]=2 43 B11R0.111 COC(=O)CCCCCC(=O)O M6367 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.148 NCCCCCCCCC(=O)O A50593 [1,1,0,0,0,0|0,0,0]=2 45 B11R0.148 O=C(O)CCCCCCCCBr B38107 [1,1,0,0,0,0|0,0,0]=2 46 B11R0.148 O=C(O)CCCCCCCCO H68316 [1,1,0,0,0,0|0,0,0]=2 47 B11R0.148 O=C(O)CCOCCOCCBr B43867 [1,1,0,0,0,0|2,0,0]=4 48 B11R0.159 CCCCCCCCS(=O)(=O)[O-] S68161 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.3 CCCCCCCCCCCO U67607 [1,1,0,0,0,0|1,0,1]=4 50 B13R0.2 CCCCCCCCOC(=O)CC#N X55039 [0,2,0,0,0,0|1,0,1]=4 51 B13R0.88 CC(C)CCCCCOC(=O)CCS M39662 [0,2,0,0,0,0|2,0,0]=4 52 B13R0.367 CCOC(=O)CCCC[C@H](Cl)CCCl E53275 [0,2,0,0,0,0|1,0,0]=3 53 B13R0.201 COC(=O)CCCCCCC(=O)OC D39626 [0,2,0,0,0,0|0,0,1]=3 54 B13R0.147 CCCCCCCCCCC(=O)OC M56343 [0,2,0,0,0,0|0,0,0]=2 55 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [1,0,0,1,0,0|0,0,0]=2 56 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [1,0,0,1,0,0|1,0,0]=3 57 B11R1.91 O=C(O)CCN1CCOCC1 M43855 [1,0,0,1,0,0|2,0,0]=4 58 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [1,0,0,1,0,0|0,0,2]=4 59 B11R1.25 COC(=O)CC[C@H]1CCNC1 M6967 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.25 COC(=O)CNC1CCCC1 M49568 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.40 COC(=O)CC1CCNCC1 M49566 [1,0,0,1,0,0|1,0,0]=3 62 B11R1.40 COC(=O)CC1CCOCC1 M20436 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.115 COC(=O)[C@@H]1CCN1CCF A30120 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.222 COC(=O)C1CCNCC1F M59820 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.222 COC(=O)C1CNCCC1O M46495 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.222 COC(=O)[C@@H]1CCCCC1=O M23599 [1,0,0,1,0,0|1,0,1]=4 67 B11R1.222 COC(=O)[C@@H]1CNCCN1C M43879 [1,0,0,1,0,0|2,0,0]=4 68 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N M32271 [1,0,0,1,0,0|2,0,0]=4 69 B11R1.852 COC(=O)[C@H]1CCCNCC1 M15039 [1,0,0,1,0,0|1,0,0]=3 70 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 H55090 [0,1,0,1,0,0|2,0,0]=4 71 B13R1.42 CCOC(=O)CO[C@@H]1CCCCO1 E50521 [0,1,0,1,0,0|2,0,0]=4 72 B13R1.470 CCOC(=O)CC1CCNCC1C E20779 [0,1,0,1,0,0|1,0,0]=3 73 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 M54213 [0,1,0,1,0,0|0,0,0]=2 74 B13R1.547 COC(=O)C1CCCCC1C(=O)O C67366 [0,1,0,1,0,0|1,0,1]=4 75 B13R1.547 COC(=O)C1CCCCC1C(=O)O M50447 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.5037 O=C1CNC2(CCCCC2)CN1 D62270 [0,0,0,2,0,0|2,0,0]=4 77 B13R2.1100 COC(=O)C1C2CCC1CNC2 M11574 [0,0,0,2,0,0|1,0,0]=3 78 B13R2.1145 COC(=O)[C@H]1CC[C@@H]2CC[C@H]1N2 M14819 [0,0,0,2,0,0|1,0,0]=3 79 B13R2.14995 COC(=O)C12CCCN1CCC2 M14031 [0,0,0,2,0,0|1,0,0]=3