0 B8R0.4 BrCCCCCCCBr D43869 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 C#CCCCCCCO O5669 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.4 C=CCCCCCCCl C47108 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 CCCCCCCNC M47212 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 CCOCCOCCO E60752 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.4 COCCCCCCBr B43941 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.4 COCCNCCOC B64968 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.4 OCCCCCCCBr B43940 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.4 OCCCNCCCO A37173 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.4 [N-]=[N+]=NCCCCCN A1952 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.1 BrCCCCCCBr D41534 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.1 C#CCCCCCO H67855 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.1 C=CCCCCCBr B43831 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.1 C=CCCCCNC M43901 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.1 C=CCCCCNC M46504 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.1 CCCCCCCBr B43897 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.1 CCCCCCC[Mg+] H31707 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CCCCCN=[N+]=[N-] A1948 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.1 CNCCCCNC D41624 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.1 COCCOCCI K40420 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.1 COCCOCCN M38824 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.1 ClCCCCCCBr B39200 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 ClCCCCCCI C38559 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.1 ICCCCCCI D41535 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 N#CCOCCCO H31839 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 NCCCCCCN H68834 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 NCCCCCCO A36606 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.1 NCCCNCCBr B40441 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.1 NCCCNCCO H38578 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.1 OCCCCCCBr B41603 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.1 OCCCCCCCl C64682 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.1 OCCCCCCI I4468 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.1 [N-]=[N+]=NCCCCO A3815 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.2 CC(=O)OCCCCCBr B43861 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.2 CC(C)NCCCCCO I38899 [0,1,0,0,0,0|1,0,0]=2 36 B9R0.2 CCCCCCCB(O)O H43957 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.2 NCCCCCCC(=O)O A46516 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.2 NCCCCCCC(=O)O A67452 [0,1,0,0,0,0|1,0,1]=3 39 B9R0.2 O=C(O)CCCCCCBr B43862 [0,1,0,0,0,0|1,0,1]=3 40 B9R0.2 O=C(O)CCCCCCO H36659 [0,1,0,0,0,0|1,0,1]=3 41 B9R0.5 CCOC(=O)CCCCBr E39295 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.5 CCOC(=O)CCCCN E46517 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.45 BrCCCCCCCCBr D60579 [0,1,0,0,0,0|1,0,0]=2 44 B9R0.45 C#CCCCCCCCO N50499 [0,1,0,0,0,0|0,0,1]=2 45 B9R0.45 C=CCCCCCCCCl C50527 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.45 CCCCCCCCNC M50621 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.45 CCCCCCCNCC E50620 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.45 NCCOCCOCCO A36621 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.45 OCCCCCCC#CI I1888 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.45 OCCCCCCCCBr B47189 [0,1,0,0,0,0|0,0,0]=1 53 B9R0.45 OCCCCCCCCCl C47190 [0,1,0,0,0,0|0,0,0]=1 54 B9R0.45 OCCCCCCCCO X39448 [0,1,0,0,0,0|0,0,0]=1 55 B9R0.45 OCCCSSCCCO D41614 [0,1,0,0,0,0|2,0,0]=3 56 B9R0.45 OCCOCCOCCCl C39206 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.45 [N-]=[N+]=NCCCCCCN A1949 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,1,0,0,0,0|0,0,0]=1 59 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.46 COC(=O)CCCCCN M67967 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.5 CN1CCCCCC1=O M39292 [0,0,0,1,0,0|1,0,2]=4 62 B9R1.8 BrCCC1CCCCC1 B0374 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.8 BrCCC1OCCCO1 B41524 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.8 BrCCN1CCCCC1 B43882 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.8 BrCCN1CCOCC1 B32212 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.8 BrCCN1CCOCC1 B38590 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.8 CCCC1CCNCC1 P49579 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.8 CCNC1CCOCC1 E43915 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 CNCC1CCOCC1 M1162 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.8 COCC1CCNCC1 M14337 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.8 COCC1CCNCC1 M26475 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.8 COC[C@@H]1CNCCO1 M43500 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.8 COC[C@@H]1COCCN1 M43499 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.8 COC[C@H]1CNCCO1 M41585 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.8 COC[C@H]1CNCCO1 M43493 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.8 COC[C@H]1CNCCO1 M43498 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.8 COC[C@H]1COCCN1 M43494 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.8 ClCCN1CCCCC1 C13526 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.8 FCCN1CCNCC1 F28670 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.8 ICCC1CCCCC1 I0264 [0,0,0,1,0,0|1,0,0]=2 85 B9R1.8 N#CCC1CCCCC1 C47050 [0,0,0,1,0,0|1,0,1]=3 86 B9R1.8 N#CCC1CCNCC1 P0816 [0,0,0,1,0,0|2,0,1]=4 87 B9R1.8 N#CCC1CCOCC1 T43772 [0,0,0,1,0,0|2,0,1]=4 88 B9R1.8 N#CC[C@H]1CCCNC1 P0995 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.8 NCCC1CCCCC1 C49581 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.8 NCCC1CCOCC1 A1671 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.8 NCCC1CCOCC1 T46515 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.8 NCCN1CCCCC1 P22781 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.8 NCCN1CCCCC1 P46604 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.8 NCCN1CCOCC1 M41610 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.8 NNCC1CCOCC1 T18614 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.8 O=CCC1CCOCC1 T12448 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.8 OCCC1CCNCC1 P24598 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.8 OCCC1CCOCC1 H10319 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.8 OCCC1SCCCS1 D41570 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.8 OCCN1CCNCC1 H13372 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,0,0,1,0,0|1,0,0]=2 102 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,0,0,1,0,0|1,0,0]=2 105 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,0,0,1,0,0|2,0,0]=3 109 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.12 BrCCCN1CCCC1 B43883 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.12 C#CCCC1OCCO1 B5679 [0,0,0,1,0,0|1,0,2]=4 114 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.12 ClCCCC1OCCO1 C69086 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.12 ClCCCN1CCCC1 C24351 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.12 ClCCCN1CCCC1 C43884 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.12 NCCCN1CCCC1 P43942 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.12 OCCCN1CCCC1 P43909 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,0,0,1,0,0|1,0,0]=2 125 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,0,0,1,0,0|1,0,0]=2 126 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,0,0,1,0,0|1,0,0]=2 127 B9R1.15 CN1CCOC[C@@H]1CO M41586 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.15 CN1CCOC[C@@H]1CO M62086 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.15 CN1CCOC[C@H]1CO M63660 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.15 CO[C@@H]1CCNC[C@H]1O M20588 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.15 CO[C@@H]1COCC[C@@H]1N M59942 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.15 CO[C@@H]1COCC[C@H]1N A10508 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.15 CO[C@H]1COCC[C@@H]1N A10509 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.15 CO[C@H]1COCC[C@H]1N A1571 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.15 NC[C@@H]1CCNC[C@@H]1O A14826 [0,0,0,1,0,0|2,0,0]=3 137 B9R1.15 NC[C@@H]1CCNC[C@H]1O A15422 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.16 C=CCCC[C@@H]1C[C@H]1O P66476 [0,0,0,1,0,0|0,0,2]=3 142 B9R1.33 CN1CCC[C@@H]1CCN A68588 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.33 CN1CCC[C@@H]1CCN M30075 [0,0,0,1,0,0|2,0,0]=3 144 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,0,0,1,0,0|1,0,0]=2 145 B9R1.33 CN1CCC[C@H]1CCN M13734 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,0,0,1,0,0|1,0,2]=4 147 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|0,0,2]=3 148 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,2]=4 149 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,0,0,1,0,0|0,0,2]=3 150 B9R1.89 COC1=NCCCCC1 M43840 [0,0,0,1,0,0|2,0,1]=4 151 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.89 N#CC1CCCCCC1 C62451 [0,0,0,1,0,0|1,0,1]=3 154 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,0,0,1,0,0|2,0,1]=4 155 B9R1.89 NCC1CCCCCC1 C49582 [0,0,0,1,0,0|1,0,0]=2 156 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,0,0,1,0,0|1,0,0]=2 157 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,0,0,1,0,0|1,0,0]=2 158 B9R1.103 C1CNCCNCCN1 T43578 [0,0,0,1,0,0|3,0,0]=4 159 B6R0.6 C#CCCCCO H41456 [2,0,0,0,0,0|0,0,2]=4 160 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|0,0,2]=4 161 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|0,0,2]=4 162 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,0]=3 164 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|0,0,2]=4 165 B6R0.6 CNCCCCBr B40429 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.6 COCCCCBr B40422 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.6 ClCCCCCBr B39164 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.6 FCCCCCBr B37978 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.6 ICCCCCI D24633 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.6 NCCNCCO A68374 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.6 OCCOCCCl C60784 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.6 OCCOCCO D43939 [2,0,0,0,0,0|2,0,0]=4 175 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|0,0,0]=2 176 B8R0.6 CCCCCC(=O)CBr B43868 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|0,0,0]=2 178 B8R0.6 NCCCC[C@H](N)CO D43570 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.7 CC(C)NCCCCO I38536 [1,1,0,0,0,0|1,0,0]=3 180 B8R0.7 CCCCCCB(O)O H41623 [1,1,0,0,0,0|1,0,0]=3 181 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|0,0,0]=2 182 B8R0.7 CCNCCCN(C)C E11170 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.7 CN(C)CCOCCO D68347 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.7 O=C(O)CCCCCBr B67880 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.7 O=C(O)CCCCCCl C41527 [1,1,0,0,0,0|1,0,1]=4 186 B8R0.7 O=C([O-])CCCCCO P41406 [1,1,0,0,0,0|1,0,1]=4 187 B10R0.3 CC(C)=CCC[C@H](C)CCO D53336 [0,2,0,0,0,0|0,0,2]=4 188 B10R0.3 CC(C)CCC[C@H](C)CCBr B53343 [0,2,0,0,0,0|1,0,0]=3 189 B10R0.4 CCCCCCCCB(O)O O4860 [0,2,0,0,0,0|0,0,0]=2 190 B10R0.4 CCCCCCCCC(C)=O D53335 [0,2,0,0,0,0|0,0,1]=3 191 B10R0.4 CCCCCC\C=C\B(O)O O4840 [0,2,0,0,0,0|0,0,2]=4 192 B10R0.4 NCCCCCCCC(=O)O A69217 [0,2,0,0,0,0|0,0,1]=3 193 B10R0.4 O=C(O)CCCCCCCBr B47140 [0,2,0,0,0,0|0,0,1]=3 194 B10R0.74 CCCCCCCC(=O)NO X67416 [0,2,0,0,0,0|0,0,1]=3 195 B10R0.74 COC(=O)CCCCCCBr M47141 [0,2,0,0,0,0|1,0,1]=4 196 B10R0.74 COC(=O)CCCCCCN M49584 [0,2,0,0,0,0|1,0,1]=4 197 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [0,2,0,0,0,0|0,0,1]=3 198 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,2,0,0,0,0|1,0,1]=4 199 B10R0.1 CCOC(=O)CCCCCO E47160 [0,2,0,0,0,0|0,0,1]=3 200 B10R0.91 CCCCCC(=O)OCCC P50580 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.71 BrCCCCCCCCCBr D50565 [0,2,0,0,0,0|1,0,0]=3 202 B10R0.71 C=CCCCCCCCCBr B53284 [0,2,0,0,0,0|1,0,0]=3 203 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.71 COCCOCCOCCN M43956 [0,2,0,0,0,0|2,0,0]=4 205 B10R0.71 ClCCCCCCCCCCl D50566 [0,2,0,0,0,0|1,0,0]=3 206 B10R0.71 OCCCCCCCCCBr B50608 [0,2,0,0,0,0|0,0,0]=2 207 B10R0.71 OCCOCCCCCCCl C61799 [0,2,0,0,0,0|0,0,0]=2 208 B8R1.2 BrCC1CCCCC1 B43832 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.2 BrCC1CCNCC1 B1292 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.2 BrCC1CCOCC1 B3933 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.2 BrC[C@H]1CCCOC1 B8026 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.2 CCC1COCCN1 O5554 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.2 CCN1CCNCC1 E13368 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.2 CC[C@@H]1CNCCN1 E67103 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.2 CC[C@H]1CNCCN1 E13389 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.2 CC[C@H]1CNCCN1 E13401 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.2 CC[C@H]1CNCCN1 E65175 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.2 CC[C@H]1COCCN1 E22377 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.2 CNC1CCNCC1 M13774 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.2 CNC1CCOCC1 M10218 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.2 CN[C@H]1CCCNC1 M43509 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.2 CN[C@H]1CCCNC1 M43560 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.2 COC1CCNCC1 M0482 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.2 COC1CCNCC1 M1164 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.2 CO[C@@H]1CCCNC1 M10269 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.2 CO[C@@H]1CCCNC1 M10270 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.2 CO[C@H]1CCCNC1 M10271 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.2 CO[C@H]1CCCNC1 M1167 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.2 CO[C@H]1CCCNC1 M7502 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.2 ClC[C@H]1CCCCN1 C41543 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.2 FCC1CCNCC1 F1237 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.2 FCC1CCNCC1 F14211 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.2 FC[C@H]1CCCCN1 F1342 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.2 ICC1CCCCC1 I38363 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.2 ICC1CCOCC1 I10217 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.2 N#CC1CCCCC1 C69224 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.2 NCC1CCCCC1 C43900 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.2 NCC1CCOCC1 T1166 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.2 NCC1CCSCC1 T13090 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.2 NC[C@@H]1CCCOC1 T14517 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.2 NC[C@@H]1COCCO1 D11964 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.2 NC[C@H]1CCCCN1 P68366 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.2 NC[C@H]1CCCNC1 P60926 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.2 NC[C@H]1CCCOC1 A14515 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.2 NC[C@H]1CCCOC1 T14516 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.2 NC[C@H]1CNCCO1 M61772 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.2 NC[C@H]1COCCO1 D11965 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.2 NC[C@H]1COCCO1 D15491 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.2 NNC1CCCCC1 C43508 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.2 NO[C@@H]1CCCCO1 T24832 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.2 OCC1CCNCC1 P0766 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.2 OCC1CCOCC1 H0390 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.2 OCC1CCSCC1 T13093 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,1,0,0|0,0,2]=4 256 B8R1.2 OC[C@@H]1CCCCN1 P7111 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.2 OC[C@@H]1CCCCO1 X24024 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.2 OC[C@@H]1CCCNC1 P41579 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.2 OC[C@@H]1CCCNC1 P60999 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.2 OC[C@@H]1CCCOC1 X59846 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.2 OC[C@@H]1CNCCO1 M18586 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.2 OC[C@@H]1COCCN1 H40409 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.2 OC[C@@H]1COCCN1 M41331 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.2 OC[C@@H]1COCCO1 D23560 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.2 OC[C@H]1CCCCN1 H41578 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.2 OC[C@H]1CCCCN1 P7110 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.2 OC[C@H]1CCCNC1 P0762 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.2 OC[C@H]1CCCNC1 P41576 [1,0,0,1,0,0|1,0,0]=3 269 B8R1.2 OC[C@H]1CCCOC1 H11515 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.2 OC[C@H]1CCCOC1 X59849 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.2 OC[C@H]1CNCCN1 P41389 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.2 OC[C@H]1CNCCN1 P41390 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.2 OC[C@H]1CNCCO1 M19813 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.2 OC[C@H]1CNCCO1 M40407 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.2 OC[C@H]1CNCCO1 M41329 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.2 OC[C@H]1COCCN1 M41332 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.2 OC[C@H]1COCCN1 M61069 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.2 OC[C@H]1COCCN1 M61885 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.2 OC[C@H]1COCCO1 D23561 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.2 OC[C@H]1COCCO1 D40389 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.2 ONC1CCCCC1 C43480 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.2 [Mg+]CC1CCCCC1 C31706 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.5 CC1CCNCC1O H11697 [1,0,0,1,0,0|1,0,0]=3 284 B8R1.5 CC1CCNCC1O H11698 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.5 CC1CNCCC1O M17031 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.5 CC1CNCCC1O M41575 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [1,0,0,1,0,0|1,0,0]=3 290 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.5 C[C@@H]1CNCCN1C D10718 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|0,0,2]=4 297 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.5 C[C@H]1CNCCN1C D11166 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.5 C[C@H]1CNCCN1C D23865 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.5 C[C@H]1CNCCN1C D41606 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.5 NC1COCCC1O A7869 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [1,0,0,1,0,0|1,0,0]=3 307 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.5 OC1CCCCC1Cl C41533 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.5 OC1CCNCC1F F32301 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.5 OC1CCOCC1F F20039 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.8 BrCCC1OCCO1 B41267 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.8 CCO[C@@H]1CCNC1 E13930 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.8 CCO[C@H]1CCNC1 E14045 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.8 CNC[C@H]1CCOC1 M1347 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.8 COC[C@@H]1CCCN1 M14243 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.8 COC[C@@H]1CCNC1 M14792 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.8 COC[C@@H]1CCNC1 M31656 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.8 COC[C@H]1CCCN1 M14242 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.8 COC[C@H]1CCNC1 M14793 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.8 COC[C@H]1CCNC1 M26667 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.8 COC[C@H]1CCNC1 M41581 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.8 ClCCN1CCCC1 C41544 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.8 NCCC1CCCC1 C46503 [1,0,0,1,0,0|1,0,0]=3 355 B8R1.8 NCCN1CCCC1 P41605 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.8 NCC[C@H]1CCCO1 T1128 [1,0,0,1,0,0|1,0,0]=3 357 B8R1.8 OCC[C@H]1CCCN1 P11010 [1,0,0,1,0,0|1,0,0]=3 358 B8R1.8 OCC[C@H]1CCNC1 P29904 [1,0,0,1,0,0|1,0,0]=3 359 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|0,0,2]=4 360 B8R1.11 CN1CCC[C@@H]1CN M8172 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.11 CN1CCC[C@@H]1CO M14129 [1,0,0,1,0,0|1,0,0]=3 362 B8R1.11 CN1CCC[C@@H]1CO M41582 [1,0,0,1,0,0|1,0,0]=3 363 B8R1.11 CN1CCC[C@H]1CBr B41540 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.11 CN1CCC[C@H]1CN M0297 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.11 CN1CCC[C@H]1CN M43564 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.11 CN1CCC[C@H]1CO M12480 [1,0,0,1,0,0|1,0,0]=3 367 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,0,0,1,0,0|1,0,1]=4 376 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.22 CN1CCCNCC1 M1344 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.22 C[C@H]1CCNCCN1 M13937 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.22 F[C@H]1CCCNCC1 F12235 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.22 N[C@@H]1CCCCNC1 A14699 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.22 N[C@H]1CCCCNC1 A41604 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.22 O[C@H]1CCCNCC1 H12234 [1,0,0,1,0,0|1,0,0]=3 384 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.10 CN1CCC[C@@H](CCN)C1 M15378 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.10 CN1CCC[C@H](CCN)C1 M12449 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.10 CN1CCC[C@H](CCN)C1 M15379 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.10 CN1CCC[C@H](CCO)C1 M12328 [0,1,0,1,0,0|1,0,0]=3 389 B10R1.18 CC(C)C[C@H]1CCCNC1 B69831 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.18 CN(C)C[C@H]1CNCCO1 D43945 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [0,1,0,1,0,0|1,0,0]=3 392 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,1,0,1,0,0|0,0,1]=3 393 B10R1.18 O=C(O)CC1CCNCC1 P7877 [0,1,0,1,0,0|1,0,1]=4 394 B10R1.18 O=C(O)CC1CCOCC1 T0118 [0,1,0,1,0,0|1,0,1]=4 395 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [0,1,0,1,0,0|1,0,1]=4 397 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [0,1,0,1,0,0|1,0,1]=4 398 B10R1.18 OB(O)CC1CCCCC1 C43936 [0,1,0,1,0,0|1,0,0]=3 399 B10R1.18 OC(O)CN1CCOCC1 M30143 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.38 OC[C@H]1CCNCC1(F)F D14665 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.38 OC[C@H]1CCNCC1(F)F D31244 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.61 CC(C)C1CCCCC1O P50579 [0,1,0,1,0,0|0,0,0]=2 403 B10R1.61 CC1NCCCC1C(=O)O M46488 [0,1,0,1,0,0|1,0,1]=4 404 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D38732 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D47195 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N D47196 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [0,1,0,1,0,0|1,0,1]=4 410 B10R1.66 O=C(O)CCC1CCCC1 C69098 [0,1,0,1,0,0|0,0,1]=3 411 B10R1.66 O=C(O)CCN1CCCC1 P43845 [0,1,0,1,0,0|1,0,1]=4 412 B10R1.78 O=C1CCCCCCCN1 A62814 [0,1,0,1,0,0|0,0,2]=4 413 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [0,1,0,1,0,0|1,0,1]=4 414 B10R1.348 NC(=O)C1CCCCCC1 C47114 [0,1,0,1,0,0|0,0,2]=4 415 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [0,1,0,1,0,0|1,0,1]=4 416 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,1,0,1,0,0|1,0,1]=4 417 B10R1.21 COCCO[C@@H]1CCNC1 M29610 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.21 ClCCCCC1OCCO1 C43865 [0,1,0,1,0,0|1,0,0]=3 419 B10R1.29 CCCCN1CCCC1=O B68886 [0,1,0,1,0,0|0,0,2]=4 420 B10R1.85 ClCCN1CCCCCC1 C47152 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.85 ClCCN1CCCCCC1 C65016 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.85 OCCN1CCCCCC1 A47168 [0,1,0,1,0,0|0,0,0]=2 423 B10R1.138 CCCC(=O)OC[C@H]1CO1 G39289 [0,1,0,1,0,0|1,0,1]=4 424 B10R1.138 CCOC(C)OCC1CO1 E8608 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.245 CC1CCCC(C)C1CO D60472 [0,1,0,1,0,0|0,0,0]=2 426 B10R1.17 BrCCOC1CCCCC1 B47143 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.17 C#CCO[C@@H]1CCCCO1 P47020 [0,1,0,1,0,0|0,0,2]=4 429 B10R1.17 CCCCC1CCNCC1 B0923 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.17 CCCCN1CCOCC1 B47167 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.17 COCCC1CCNCC1 M0867 [0,1,0,1,0,0|1,0,0]=3 432 B10R1.17 COCCC1CCNCC1 M11399 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.17 COCCN1CCNCC1 M43943 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.17 COCC[C@H]1CCCCN1 M49583 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.17 ClCCCN1CCCCC1 C47153 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.17 ClCCCN1CCOCC1 C15701 [0,1,0,1,0,0|2,0,0]=4 437 B10R1.17 ClCCCN1CCOCC1 C39298 [0,1,0,1,0,0|2,0,0]=4 438 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [0,1,0,1,0,0|1,0,0]=3 439 B10R1.17 NCCCN1CCNCC1 P43952 [0,1,0,1,0,0|2,0,0]=4 440 B10R1.17 OCCCC1CCNCC1 P13257 [0,1,0,1,0,0|0,0,0]=2 441 B10R1.17 OCCCN1CCCCC1 P16239 [0,1,0,1,0,0|0,0,0]=2 442 B10R1.17 OCCCN1CCOCC1 H23709 [0,1,0,1,0,0|1,0,0]=3 443 B10R1.216 CCCC[N+]1(C)CCCC1 B49696 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.216 CCCC[N+]1(C)CCCC1 B52264 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.216 CCCC[N+]1(C)CCCC1 B52266 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.216 CCCC[N+]1(C)CCCC1 B52269 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.20 CNC1CCCCC1NC D47193 [0,1,0,1,0,0|2,0,0]=4 448 B10R1.20 CNC1CCCCC1NC D49589 [0,1,0,1,0,0|2,0,0]=4 449 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24849 [0,1,0,1,0,0|2,0,0]=4 450 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24908 [0,1,0,1,0,0|2,0,0]=4 451 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D60931 [0,1,0,1,0,0|2,0,0]=4 452 B10R1.20 CN[C@H]1CCCC[C@@H]1NC D47194 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [0,1,0,1,0,0|0,0,0]=2 454 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [0,1,0,1,0,0|0,0,0]=2 455 B10R1.1 CCCC1CCC(=O)CC1 P50500 [0,1,0,1,0,0|1,0,1]=4 456 B10R1.1 CCCN1CCC(N)CC1 P49682 [0,1,0,1,0,0|2,0,0]=4 457 B10R1.1 CN1CCC(CCN)CC1 M12447 [0,1,0,1,0,0|2,0,0]=4 458 B10R1.1 CN1CCC(CCO)CC1 M0301 [0,1,0,1,0,0|1,0,0]=3 459 B10R1.1 CN1CCN(CCO)CC1 H43944 [0,1,0,1,0,0|2,0,0]=4 460 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 A29608 [0,1,0,1,0,0|1,0,1]=4 461 B10R1.1 NC1CCC(CCO)CC1 A47170 [0,1,0,1,0,0|0,0,0]=2 462 B10R1.1 NC1CCN(CCF)CC1 F17391 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 A0878 [0,1,0,1,0,0|0,0,0]=2 464 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,1,0,1,0,0|1,0,0]=3 465 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,1,0,0|1,0,1]=4 467 B10R1.15 C[C@@H](CO)N1CCNCC1 P13371 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,1,0,1,0,0|1,0,1]=4 469 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,1,0,1,0,0|0,0,0]=2 470 B10R1.149 CC(CN)C1CCCN1C M29498 [0,1,0,1,0,0|2,0,0]=4 471 B10R2.160 OCC1C2CNCC1C2 H7396 [0,0,0,2,0,0|1,0,0]=3 472 B10R2.61 OC1CC2CCCC1N2 A14772 [0,0,0,2,0,0|1,0,0]=3 473 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A14870 [0,0,0,2,0,0|1,0,0]=3 474 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A27659 [0,0,0,2,0,0|1,0,0]=3 475 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A14871 [0,0,0,2,0,0|1,0,0]=3 476 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A27660 [0,0,0,2,0,0|1,0,0]=3 477 B10R2.178 OC1CCC2CCC1N2 A14808 [0,0,0,2,0,0|1,0,0]=3 478 B10R2.178 O[C@@H]1CC[C@@H]2CC[C@H]1N2 A14817 [0,0,0,2,0,0|1,0,0]=3 479 B10R2.178 O[C@H]1CC[C@@H]2CC[C@H]1N2 A14816 [0,0,0,2,0,0|1,0,0]=3 480 B10R2.6 C1CC[C@@H](C2CC2)NC1 C49561 [0,0,0,2,0,0|1,0,0]=3 481 B10R2.7 C1CCC2CNCC2C1 X47109 [0,0,0,2,0,0|1,0,0]=3 482 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X49562 [0,0,0,2,0,0|1,0,0]=3 483 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X6365 [0,0,0,2,0,0|1,0,0]=3 484 B10R2.7 C1CNC2CNCC2C1 X43870 [0,0,0,2,0,0|2,0,0]=4 485 B10R2.7 C1CN[C@@H]2CNC[C@@H]2C1 D14070 [0,0,0,2,0,0|2,0,0]=4 486 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 X43871 [0,0,0,2,0,0|2,0,0]=4 487 B10R2.7 C1CN[C@H]2CNC[C@H]2C1 X43872 [0,0,0,2,0,0|2,0,0]=4 488 B10R2.7 C1CO[C@@H]2CNC[C@@H]2O1 H29914 [0,0,0,2,0,0|2,0,0]=4 489 B10R2.7 C1CO[C@H]2CNC[C@@H]2N1 X27573 [0,0,0,2,0,0|2,0,0]=4 490 B10R2.7 C1C[C@@H]2CNCCN2C1 D14922 [0,0,0,2,0,0|2,0,0]=4 491 B10R2.7 C1C[C@H]2CNCCN2C1 D11716 [0,0,0,2,0,0|2,0,0]=4 492 B10R2.7 C1C[C@H]2CNCCN2C1 D11717 [0,0,0,2,0,0|2,0,0]=4 493 B10R2.7 C1C[C@H]2CNCCN2C1 X17297 [0,0,0,2,0,0|2,0,0]=4 494 B10R2.62 CN1CC2CCC1CN2 M13660 [0,0,0,2,0,0|2,0,0]=4 495 B10R2.62 CN1CC2CCC1CN2 M29870 [0,0,0,2,0,0|2,0,0]=4 496 B10R2.62 N[C@@H]1CN2CCC1CC2 Q46601 [0,0,0,2,0,0|2,0,0]=4 497 B10R2.62 N[C@@H]1CN2CCC1CC2 Q64228 [0,0,0,2,0,0|2,0,0]=4 498 B10R2.62 N[C@H]1CN2CCC1CC2 A65572 [0,0,0,2,0,0|2,0,0]=4 499 B10R2.62 N[C@H]1CN2CCC1CC2 A7779 [0,0,0,2,0,0|2,0,0]=4 500 B10R2.62 OC1CC2CCC1NC2 H10664 [0,0,0,2,0,0|1,0,0]=3 501 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [0,0,0,2,0,0|0,0,0]=2 502 B10R2.408 C1CC2CCCC(C1)N2 A8032 [0,0,0,2,0,0|1,0,0]=3 503 B10R2.408 C1CC2COCC(C1)N2 X14547 [0,0,0,2,0,0|2,0,0]=4 504 B10R2.409 C1CN2CCC(CC2)N1 D38077 [0,0,0,2,0,0|2,0,0]=4 505 B10R2.484 C1CC2(C1)CCNCC2 A7182 [0,0,0,2,0,0|2,0,0]=4 506 B10R2.484 C1CC2(C1)CNCCN2 D13993 [0,0,0,2,0,0|2,0,0]=4 507 B10R2.484 C1CC2(C1)CNCCO2 X14914 [0,0,0,2,0,0|1,0,0]=3 508 B10R2.484 C1CC2(C1)COCCN2 X7185 [0,0,0,2,0,0|2,0,0]=4 509 B10R2.484 C1CC2(CCN1)CCO2 O7160 [0,0,0,2,0,0|1,0,0]=3 510 B10R2.484 C1CC2(CCN1)CCO2 O7366 [0,0,0,2,0,0|1,0,0]=3 511 B10R2.484 C1CC2(CCN1)CCO2 X19484 [0,0,0,2,0,0|1,0,0]=3 512 B10R2.484 C1CC2(CCOCC2)N1 X14349 [0,0,0,2,0,0|2,0,0]=4 513 B10R2.484 C1CCC2(CC1)CCN2 A14690 [0,0,0,2,0,0|1,0,0]=3 514 B10R2.484 C1CCC2(CC1)CNC2 A15579 [0,0,0,2,0,0|2,0,0]=4 515 B10R2.484 C1CCC2(CCC2)NC1 A10149 [0,0,0,2,0,0|1,0,0]=3 516 B10R2.484 C1CCC2(CCC2)NC1 A8607 [0,0,0,2,0,0|1,0,0]=3 517 B10R2.484 C1CCC2(CNC2)OC1 X19269 [0,0,0,2,0,0|1,0,0]=3 518 B10R2.484 C1CCC2(CNC2)OC1 X7196 [0,0,0,2,0,0|1,0,0]=3 519 B10R2.484 C1CCC2(COC2)NC1 X6035 [0,0,0,2,0,0|2,0,0]=4 520 B10R2.484 C1CNCC2(C1)CCC2 A7183 [0,0,0,2,0,0|2,0,0]=4 521 B10R2.484 C1CNC[C@@]2(C1)CCO2 O8371 [0,0,0,2,0,0|1,0,0]=3 522 B10R2.484 C1COC2(CN1)COC2 D8489 [0,0,0,2,0,0|2,0,0]=4 523 B10R2.484 C1COC[C@@]2(C1)CCN2 X14350 [0,0,0,2,0,0|2,0,0]=4 524 B10R2.32 O[C@@H]1CCC2CNCC21 X15274 [0,0,0,2,0,0|1,0,0]=3 525 B10R2.32 O[C@@H]1CC[C@@H]2CNC[C@@H]21 X29604 [0,0,0,2,0,0|1,0,0]=3 526 B10R2.99 CCN1CC2CC1CN2 E13388 [0,0,0,2,0,0|2,0,0]=4 527 B10R2.99 CCN1C[C@@H]2CC1CN2 E20705 [0,0,0,2,0,0|2,0,0]=4 528 B10R2.99 CCN1C[C@@H]2C[C@H]1CN2 E13417 [0,0,0,2,0,0|2,0,0]=4 529 B10R2.99 CCN1C[C@H]2C[C@@H]1CN2 E13418 [0,0,0,2,0,0|2,0,0]=4 530 B10R2.99 CCN1C[C@H]2C[C@@H]1CN2 E27118 [0,0,0,2,0,0|2,0,0]=4 531 B10R2.483 C1CCC2(C1)CCNC2 A15577 [0,0,0,2,0,0|2,0,0]=4 532 B10R2.483 C1CCC2(C1)CCNC2 A20259 [0,0,0,2,0,0|2,0,0]=4 533 B10R2.483 C1CNC2(C1)CCOC2 X11426 [0,0,0,2,0,0|2,0,0]=4 534 B10R2.483 C1CN[C@@]2(C1)CCNC2 D13462 [0,0,0,2,0,0|2,0,0]=4 535 B10R2.483 C1CO[C@@]2(C1)CCNC2 X11427 [0,0,0,2,0,0|1,0,0]=3 536 B10R2.483 C1CO[C@@]2(C1)CCNC2 X19572 [0,0,0,2,0,0|1,0,0]=3 537 B10R2.15 O[C@@H]1CNCCC12CC2 A14890 [0,0,0,2,0,0|1,0,0]=3 538 B10R2.15 O[C@@H]1CNCCC12CC2 A14892 [0,0,0,2,0,0|1,0,0]=3 539 B10R2.15 O[C@H]1CNCCC12CC2 A14883 [0,0,0,2,0,0|1,0,0]=3 540 B10R2.15 O[C@H]1CNCCC12CC2 A14891 [0,0,0,2,0,0|1,0,0]=3 541 B10R2.41 FC1C2CCC1CNC2 F11500 [0,0,0,2,0,0|2,0,0]=4 542 B10R2.41 OC1C2CCC1CNC2 A11691 [0,0,0,2,0,0|1,0,0]=3 543 B10R2.41 OC1C2CNCC1OC2 H14895 [0,0,0,2,0,0|2,0,0]=4 544 B10R2.41 O[C@@H]1C2CC[C@@H]1CNC2 A30097 [0,0,0,2,0,0|1,0,0]=3 545 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 A13546 [0,0,0,2,0,0|1,0,0]=3 546 B10R2.41 O[C@@H]1[C@H]2CC[C@@H]1CNC2 A31855 [0,0,0,2,0,0|1,0,0]=3 547 B10R2.41 O[C@@H]1[C@H]2CNC[C@@H]1OC2 E14897 [0,0,0,2,0,0|2,0,0]=4 548 B10R2.41 O[C@H]1[C@H]2CC[C@@H]1CNC2 E13545 [0,0,0,2,0,0|1,0,0]=3 549 B10R2.41 O[C@H]1[C@H]2CNC[C@@H]1OC2 H14896 [0,0,0,2,0,0|2,0,0]=4 550 B10R2.2 NN1CC2CCCC2C1 H46497 [0,0,0,2,0,0|2,0,0]=4 551 B10R2.2 O[C@@H]1C[C@@H]2CNC[C@@H]2C1 X15279 [0,0,0,2,0,0|1,0,0]=3 552 B10R2.2 O[C@H]1C[C@@H]2CNC[C@@H]2C1 X15278 [0,0,0,2,0,0|1,0,0]=3 553 B10R2.60 NC1CC2CC1CC2O A30157 [0,0,0,2,0,0|1,0,0]=3