0 B7R0.1 BrCCCCCCBr D41534 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 CCCCCCCBr B43897 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 CCCCCCC[Mg+] H31707 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 CNCCCCNC D41624 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 COCCOCCI K40420 [0,0,0,0,0,0|3,1,0]=4 5 B7R0.1 COCCOCCN M38824 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.1 ClCCCCCCBr B39200 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 ClCCCCCCI C38559 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 ICCCCCCI D41535 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 NCCCCCCN H68834 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.1 NCCCCCCO A36606 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.1 NCCCNCCBr B40441 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 NCCCNCCO H38578 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.1 OCCCCCCBr B41603 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.1 OCCCCCCCl C64682 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.1 OCCCCCCI I4468 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 BrCCNCCBr B28721 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CNCCCCBr B40429 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 CNCCCCO M38840 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 COCCCCBr B40422 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 ClCCCCCBr B39164 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 ClCCNCCCl B69332 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 FCCCCCBr B37978 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 ICCCCCI D24633 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 NCCNCCO A68374 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 NCCOCCN X39968 [1,0,0,0,0,0|2,1,0]=4 29 B6R0.6 NCCOCCN X40357 [1,0,0,0,0,0|2,1,0]=4 30 B6R0.6 OCCOCCCl C60784 [1,0,0,0,0,0|2,1,0]=4 31 B6R0.6 OCCOCCO D43939 [1,0,0,0,0,0|2,1,0]=4 32 B8R0.1 CCCC[C@H](N)CCO A62132 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.4 BrCCCCCCCBr D43869 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.4 CCCCCCCNC M47212 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.4 CCOCCOCCO E60752 [0,1,0,0,0,0|2,1,0]=4 36 B8R0.4 COCCCCCCBr B43941 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.4 COCCNCCOC B64968 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.4 OCCCCCCCBr B43940 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.4 OCCCNCCCO A37173 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 BrCC1CCCCC1 B43832 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,0,0,1,0,0|2,1,0]=4 44 B8R1.2 CCC1COCCN1 O5554 [0,0,0,1,0,0|2,1,0]=4 45 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.2 CC[C@H]1COCCN1 E22377 [0,0,0,1,0,0|2,1,0]=4 51 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 ICC1CCCCC1 I38363 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.2 NCC1CCCCC1 C43900 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,0,0,1,0,0|2,1,0]=4 63 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,0,0,1,0,0|2,1,0]=4 66 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,0,0,1,0,0|2,1,0]=4 67 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,0,0,1,0,0|2,1,0]=4 69 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,0,0,1,0,0|2,1,0]=4 72 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,0,0,1,0,0|2,1,0]=4 77 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,0,0,1,0,0|2,1,0]=4 78 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.5 CC1CCNCC1O H11697 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.5 CC1CCNCC1O H11698 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.5 CC1CNCCC1O M17031 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.5 CC1CNCCC1O M41575 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,0,0,1,0,0|2,1,0]=4 90 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,0,0,1,0,0|2,1,0]=4 91 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,0,0,1,0,0|2,1,0]=4 92 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.5 C[C@H]1CNCCN1C D11166 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.5 C[C@H]1CNCCN1C D23865 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.5 C[C@H]1CNCCN1C D41606 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,0,0,1,0,0|2,1,0]=4 97 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,0,0,1,0,0|2,1,0]=4 98 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.8 COC[C@H]1CCCN1 M14242 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.8 ClCCN1CCCC1 C41544 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.8 NCCC1CCCC1 C46503 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.8 NCCN1CCCC1 P41605 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,0,0,1,0,0|2,1,0]=4 104 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,1,0,0|3,0,0]=4 113 B5R0.2 BrCCCCBr D69410 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 ClCCCCI C40239 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.2 ICCCCI D37834 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 NCCCCBr B39952 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.2 NCCCCN D39162 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|2,0,0]=4 126 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.4 CC(C)CCCCBr B43898 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.4 CCCCC[C@H](C)O H43947 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.4 C[C@H](O)CNCCO H40448 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|2,0,0]=4 131 B9R0.45 BrCCCCCCCCBr D60579 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,2,0,0,0,0|2,0,0]=4 133 B9R0.45 CCCCCCCCNC M50621 [0,2,0,0,0,0|2,0,0]=4 134 B9R0.45 CCCCCCCNCC E50620 [0,2,0,0,0,0|2,0,0]=4 135 B9R0.45 OCCCCCCCCBr B47189 [0,2,0,0,0,0|2,0,0]=4 136 B9R0.45 OCCCCCCCCCl C47190 [0,2,0,0,0,0|2,0,0]=4 137 B9R0.45 OCCCCCCCCO X39448 [0,2,0,0,0,0|2,0,0]=4 138 B9R0.45 OCCCSSCCCO D41614 [0,2,0,0,0,0|0,0,0]=2 139 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,2,0,0,0,0|2,0,0]=4 140 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 BrC[C@H]1CCCO1 B17294 [1,0,0,1,0,0|1,1,0]=4 142 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 FC[C@@H]1CCCN1 F1127 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.1 FC[C@H]1CCCN1 F12954 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.1 NCC1CCCC1 C5395 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.1 NC[C@@H]1CCCN1 A7822 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.1 NC[C@@H]1CCCO1 T25038 [1,0,0,1,0,0|1,1,0]=4 149 B7R1.1 NC[C@H]1CCCN1 A60830 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,0,0,1,0,0|1,1,0]=4 154 B7R1.1 OC[C@H]1CCCN1 P14128 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 OC[C@H]1CCCN1 P67898 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.1 OC[C@H]1CCCO1 T67581 [1,0,0,1,0,0|1,1,0]=4 157 B7R1.1 OC[C@H]1CCCO1 T68627 [1,0,0,1,0,0|1,1,0]=4 158 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 BrC1CCSCC1 B31817 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 CC1SCCCS1 M63108 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|1,0,0]=3 162 B7R1.3 C[C@@H]1CNCCN1 M10716 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 C[C@@H]1CNCCO1 M15403 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 C[C@@H]1CNCCO1 M28760 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,1,0,0|1,1,0]=4 166 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,1,0,0|1,1,0]=4 167 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.3 C[C@H]1CNCCN1 M10717 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 C[C@H]1CNCCO1 M15401 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 C[C@H]1CNCCO1 M15402 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 C[C@H]1CNCCO1 M29509 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.3 C[C@H]1CNCCO1 M41323 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,1,0,0|1,1,0]=4 174 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,1,0,0|1,1,0]=4 175 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,1,0,0|1,1,0]=4 176 B7R1.3 F[C@@H]1CCCNC1 F7495 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 F[C@H]1CCCNC1 F1651 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 F[C@H]1CCCNC1 F7461 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 IC1CCSCC1 I31818 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.3 NC1CCSCC1 T22381 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 NC1CCSCC1 T5312 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.3 N[C@@H]1CCCNC1 A10836 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.3 N[C@@H]1CCCNC1 P32424 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,1,0,0|1,1,0]=4 186 B7R1.3 N[C@H]1CCCNC1 P41385 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.3 N[C@H]1CCCNC1 P67457 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,1,0,0|1,1,0]=4 189 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,1,0,0|1,1,0]=4 190 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.3 OC1CCSCC1 H31816 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.3 O[C@@H]1CCCNC1 H12298 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.3 O[C@@H]1CCCNC1 H1652 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,1,0,0|1,1,0]=4 195 B7R1.3 O[C@H]1CCCNC1 H0276 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 O[C@H]1CCCNC1 H10264 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.3 O[C@H]1CCCNC1 H10265 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 O[C@H]1CCCNC1 H4736 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,1,0,0|1,1,0]=4 200 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,1,0,0|1,1,0]=4 201 B7R1.3 S[C@H]1CCCNC1 P15399 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 [Mg+]C1CCSCC1 T31824 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,0,0,1,0,0|1,1,0]=4 206 B7R1.6 ClCCN1CCC1 C11577 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.6 NCCN1CCC1 A25439 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.6 OCCN1CCC1 A25441 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.24 C1CNCCNC1 H67920 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,1,0]=4 213 B7R1.24 C1CNCCSC1 H6236 [1,0,0,1,0,0|1,0,0]=3 214 B9R1.8 BrCCC1CCCCC1 B0374 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.8 CCCC1CCNCC1 P49579 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,1,0,1,0,0|1,1,0]=4 218 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.8 ICCC1CCCCC1 I0264 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.8 NCCC1CCCCC1 C49581 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.8 OCCC1SCCCS1 D41570 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.12 BrCCCN1CCCC1 B43883 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.12 ClCCCN1CCCC1 C24351 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.12 ClCCCN1CCCC1 C43884 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.12 NCCCN1CCCC1 P43942 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.12 OCCCN1CCCC1 P43909 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.89 NCC1CCCCCC1 C49582 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.148 C[C@]1(O)CCCNCC1 H10268 [0,1,0,1,0,0|2,0,0]=4 247 B9R2.49 C1CC2CCC1CN2 A11448 [0,0,0,2,0,0|2,0,0]=4 248 B9R2.49 C1CC2CCC1CN2 A8975 [0,0,0,2,0,0|2,0,0]=4 249 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,2,0,0|2,0,0]=4 250 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,2,0,0|2,0,0]=4 251 B9R2.6 CC12CCNCC1C2 M15531 [0,0,0,2,0,0|2,0,0]=4 252 B9R2.6 CC12CCNCC1C2 M29994 [0,0,0,2,0,0|2,0,0]=4 253 B9R2.3 C1CC2CNCC2C1 X37040 [0,0,0,2,0,0|2,0,0]=4 254 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 X14333 [0,0,0,2,0,0|2,0,0]=4 255 B9R2.3 C1NC[C@@H]2CSC[C@H]12 H21919 [0,0,0,2,0,0|2,0,0]=4 256 B9R2.173 C1CNC2(C1)CCC2 A15582 [0,0,0,2,0,0|2,0,0]=4 257 B9R2.173 C1CNC2(C1)CCC2 A7184 [0,0,0,2,0,0|2,0,0]=4