0 B9R0.45 BrCCCCCCCCBr D60579 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 C#CCCCCCCCO N50499 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.45 C=CCCCCCCCCl C50527 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,0,0,0,0,0|1,0,1]=2 4 B9R0.45 CCCCCCCCNC M50621 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.45 CCCCCCCNCC E50620 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.45 OCCCCCCC#CI I1888 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 OCCCCCCCCBr B47189 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.45 OCCCCCCCCCl C47190 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.45 OCCCCCCCCO X39448 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.45 [N-]=[N+]=NCCCCCCN A1949 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.4 BrCCCCCCCBr D43869 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.4 C#CCCCCCCO O5669 [1,0,0,0,0,0|0,0,3]=4 14 B8R0.4 C=CCCCCCCCl C47108 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.4 CCCCCCCNC M47212 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.4 CCOCCOCCO E60752 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 COCCCCCCBr B43941 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.4 OCCCCCCCBr B43940 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.4 OCCCNCCCO A37173 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.4 CCCCCCCCB(O)O O4860 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.4 CCCCCCCCC(C)=O D53335 [0,1,0,0,0,0|0,0,0]=1 23 B10R0.4 NCCCCCCCC(=O)O A69217 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.4 NCCOCCOCC(=O)O A41596 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.4 NCCOCCOCC(=O)O A43505 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.4 O=C(O)CCCCCCCBr B47140 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.4 O=C(O)COCCOCCCl C61801 [0,1,0,0,0,0|3,0,0]=4 28 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [0,1,0,0,0,0|3,0,0]=4 29 B10R0.71 BrCCCCCCCCCBr D50565 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.71 C=CCCCCCCCCBr B53284 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [0,1,0,0,0,0|2,0,0]=3 32 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,1,0,0,0,0|0,0,3]=4 33 B10R0.71 ClCCCCCCCCCCl D50566 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.71 OCCCCCCCCCBr B50608 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.71 OCCOCCCCCCCl C61799 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.74 CCCCCCCC(=O)NO X67416 [0,1,0,0,0,0|1,0,2]=4 37 B10R1.5 C=CCN1CCC[C@@H]1CN A47145 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.17 BrCCOC1CCCCC1 B47143 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.17 CCCCC1CCNCC1 B0923 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.17 COCCC1CCNCC1 M0867 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.17 COCCC1CCNCC1 M11399 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.17 COCC[C@H]1CCCCN1 M49583 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.17 ClCCCN1CCCCC1 C47153 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.17 OCCCC1CCNCC1 P13257 [0,0,0,1,0,0|1,0,2]=4 45 B10R1.17 OCCCN1CCCCC1 P16239 [0,0,0,1,0,0|1,0,2]=4 46 B10R1.20 CNC1CCCCC1NC D47193 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.20 CNC1CCCCC1NC D49589 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24849 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24908 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D60931 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.20 CN[C@H]1CCCC[C@@H]1NC D47194 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [0,0,0,1,0,0|1,0,2]=4 53 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [0,0,0,1,0,0|1,0,2]=4 54 B10R1.29 CCCCN1CCCC1=O B68886 [0,0,0,1,0,0|1,0,0]=2 55 B10R1.78 O=C1CCCCCCCN1 A62814 [0,0,0,1,0,0|1,0,0]=2 56 B10R1.85 ClCCN1CCCCCC1 C47152 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.85 ClCCN1CCCCCC1 C65016 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.85 OCCN1CCCCCC1 A47168 [0,0,0,1,0,0|1,0,2]=4 59 B7R0.1 BrCCCCCCBr D41534 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.1 C=CCCCCCBr B43831 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.1 C=CCCCCNC M43901 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.1 C=CCCCCNC M46504 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.1 CCCCCCCBr B43897 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.1 CCCCCCC[Mg+] H31707 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.1 CNCCCCNC D41624 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.1 ClCCCCCCBr B39200 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.1 ClCCCCCCI C38559 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.1 ICCCCCCI D41535 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.1 NCCCCCCN H68834 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.1 NCCCCCCO A36606 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.1 O=CCCCCC=O A3137 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.1 OCCCCCCBr B41603 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.1 OCCCCCCCl C64682 [2,0,0,0,0,0|1,0,1]=4 74 B7R0.1 OCCCCCCI I4468 [2,0,0,0,0,0|1,0,1]=4 75 B9R0.2 CC(=O)OCCCCCBr B43861 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.2 CC(C)NCCCCCO I38899 [1,1,0,0,0,0|1,0,1]=4 77 B9R0.2 CCCCCCCB(O)O H43957 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.2 NCCCCCCC(=O)O A46516 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.2 NCCCCCCC(=O)O A67452 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.2 O=C(O)CCCCCCBr B43862 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.2 O=C(O)CCCCCCO H36659 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.46 CC[C@H](C)CCCCCO M50614 [1,1,0,0,0,0|0,0,1]=3 83 B11R0.30 CC(=O)CCCCCCC(C)=O D53269 [0,2,0,0,0,0|0,0,1]=3 84 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,2,0,0,0,0|0,0,2]=4 85 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O A66071 [0,2,0,0,0,0|0,0,2]=4 86 B11R0.42 C=CCCCCC[C@H](N)C(=O)O A50531 [0,2,0,0,0,0|0,0,2]=4 87 B11R0.46 CCCCC[C@H](C)CCC(=O)O M53337 [0,2,0,0,0,0|0,0,0]=2 88 B11R0.111 COC(=O)CCCCCC(=O)O M6367 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.148 NCCCCCCCCC(=O)O A50593 [0,2,0,0,0,0|0,0,0]=2 90 B11R0.148 O=C(O)CCCCCCCCBr B38107 [0,2,0,0,0,0|0,0,0]=2 91 B11R0.148 O=C(O)CCCCCCCCO H68316 [0,2,0,0,0,0|0,0,0]=2 92 B11R0.148 O=C(O)CCOCCOCCBr B43867 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.159 CCCCCCCCS(=O)(=O)[O-] S68161 [0,2,0,0,0,0|1,0,0]=3 94 B11R0.3 BrCCCCCCCCCCBr D39629 [0,2,0,0,0,0|1,0,1]=4 95 B11R0.3 C=CCCCCCCCCCBr B55096 [0,2,0,0,0,0|1,0,0]=3 96 B11R0.3 C=CCCCCCCCCCC D56327 [0,2,0,0,0,0|1,0,0]=3 97 B11R0.3 C=CCCCCCCCCCO U55141 [0,2,0,0,0,0|1,0,0]=3 98 B11R0.3 CCCCCCCCCCCO U67607 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.3 ClCCCCCCCCCCCl D39630 [0,2,0,0,0,0|1,0,1]=4 100 B11R0.3 OCCCCCCCCCCBr B53359 [0,2,0,0,0,0|0,0,2]=4 101 B9R1.5 CN1CCCCCC1=O M39292 [1,0,0,1,0,0|1,0,0]=3 102 B9R1.5 CN1CCCNCC1=O M1178 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.5 CN1CCNCCC1=O M41536 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.5 CN1CCNCCC1=O M43468 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.8 BrCCC1CCCCC1 B0374 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.8 BrCCN1CCCCC1 B43882 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.8 CCCC1CCNCC1 P49579 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.8 CCC[C@H]1CCCCN1 P49580 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.8 COC[C@H]1CCCCN1 M46509 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.8 COC[C@H]1CCCCN1 M46512 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.8 ClCCN1CCCCC1 C13526 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.8 ICCC1CCCCC1 I0264 [1,0,0,1,0,0|1,0,0]=3 116 B9R1.8 N#CCC1CCCCC1 C47050 [1,0,0,1,0,0|1,0,1]=4 117 B9R1.8 NCCC1CCCCC1 C49581 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.8 NCCC1CCOCC1 A1671 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.8 NCCC1CCOCC1 T46515 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.8 NCCN1CCCCC1 P22781 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.8 NCCN1CCCCC1 P46604 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.8 O=CCC1CCOCC1 T12448 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.8 O=CCN1CCOCC1 M13720 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.8 OCCC1CCNCC1 P24598 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.8 OCCC1CCOCC1 H10319 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.8 OCC[C@H]1CCCCN1 P39300 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.8 OCC[C@H]1CCCCN1 P43911 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.8 OCC[C@H]1CCCCN1 P46511 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.8 OCC[C@H]1CCCNC1 P69769 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.12 BrCCCN1CCCC1 B43883 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.12 COCC[C@H]1CCCN1 M9079 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.12 ClCCCN1CCCC1 C24351 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.12 ClCCCN1CCCC1 C43884 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.12 NCCCN1CCCC1 P43942 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.12 OCCCN1CCCC1 P43909 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.14 CCN1CCC[C@@H]1CN A15583 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.14 CCN1CCC[C@@H]1CN A15585 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.14 CCN1CCC[C@H]1CN A15584 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.15 CN1CCCC[C@@H]1CO M43912 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.15 CN1CCCC[C@@H]1CO M43916 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.15 CN1CCCC[C@H]1CO M43917 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.15 CO[C@H]1COCCC1=O M10506 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.16 C=CCCC[C@@H]1C[C@H]1O P66476 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.33 CN1CCC[C@@H]1CCN A68588 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.33 CN1CCC[C@@H]1CCN M30075 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.33 CN1CCC[C@@H]1CCO M24819 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.33 CN1CCC[C@H]1CCN M13734 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.50 O=C1CCCCCCC1 C67881 [1,0,0,1,0,0|0,0,0]=2 152 B9R1.50 O=C1CCCCCCN1 A69570 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.89 N#CC1CCCCCC1 C62451 [1,0,0,1,0,0|1,0,1]=4 154 B9R1.89 NCC1CCCCCC1 C49582 [1,0,0,1,0,0|1,0,0]=3 155 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [1,0,0,1,0,0|1,0,1]=4 156 B9R1.89 OC[C@H]1CCCCNC1 A15700 [1,0,0,1,0,0|1,0,1]=4 157 B11R1.4 NCCCCCN1CCCC1 P52261 [0,1,0,1,0,0|1,0,1]=4 158 B11R1.86 CC(C)CN1CCCCC1=O M67602 [0,1,0,1,0,0|1,0,0]=3 159 B11R1.86 CN(C)C[C@H]1CCCCC1=O D50529 [0,1,0,1,0,0|1,0,0]=3 160 B11R1.86 CN(C)C[C@H]1CCCCC1=O D52201 [0,1,0,1,0,0|1,0,0]=3 161 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [0,1,0,1,0,0|0,0,0]=2 162 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [0,1,0,1,0,0|1,0,0]=3 163 B11R1.91 O=C(O)CCN1CCOCC1 M43855 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [0,1,0,1,0,0|0,0,2]=4 165 B11R1.91 O=C([O-])CCN1CCOCC1 L43798 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.28 [N-]=[N+]=NCCC1CCCCC1 A3467 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.222 COC(=O)[C@@H]1CCCCC1=O M23599 [0,1,0,1,0,0|1,0,1]=4 168 B11R2.20 C1CCC2NCCCC2C1 D68891 [0,0,0,2,0,0|1,0,1]=4 169 B11R2.106 O=C1CNC[C@@H]2CCCN12 H46480 [0,0,0,2,0,0|2,0,0]=4 170 B11R2.565 O=C1C2CNCC1COC2 X17771 [0,0,0,2,0,0|2,0,0]=4 171 B11R2.18 C1CCC2=[N+](CC1)CCO2 H65021 [0,0,0,2,0,0|1,0,1]=4 172 B11R2.1 O=C1CC[C@@H]2CNCCN12 H10647 [0,0,0,2,0,0|2,0,0]=4 173 B11R2.1 O=C1CC[C@@H]2CNCCN12 H31039 [0,0,0,2,0,0|2,0,0]=4 174 B11R2.1 O=C1CC[C@H]2CNCCN12 H10646 [0,0,0,2,0,0|2,0,0]=4 175 B11R2.1 O=C1CC[C@H]2CNCCN12 X17072 [0,0,0,2,0,0|2,0,0]=4 176 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 O1562 [0,0,0,2,0,0|2,0,0]=4 177 B11R2.1 O=C1NC[C@H]2CCNC[C@@H]12 X14209 [0,0,0,2,0,0|2,0,0]=4 178 B11R2.12 O=C1NCC12CCNCC2 D13655 [0,0,0,2,0,0|2,0,0]=4 179 B11R2.12 O=C1NCC12CCNCC2 D30159 [0,0,0,2,0,0|2,0,0]=4 180 B11R2.1261 C1CCC2(CC1)CCNC2 A14069 [0,0,0,2,0,0|2,0,0]=4 181 B11R2.63 CN1C2CCC(=O)C1CC2 M14806 [0,0,0,2,0,0|1,0,0]=3 182 B11R2.3 O=C1NCC[C@]12CCNC2 D10776 [0,0,0,2,0,0|2,0,0]=4 183 B11R2.3 O=C1NCC[C@]12CCNC2 D37515 [0,0,0,2,0,0|2,0,0]=4 184 B11R2.459 O=C1CCCN1C2CNC2 A6322 [0,0,0,2,0,0|2,0,0]=4