0 B7R0.1 BrCCCCCCBr D41534 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.1 C#CCCCCCO H67855 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C=CCCCCCBr B43831 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCCCCNC M43901 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C=CCCCCNC M46504 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 CCCCCCCBr B43897 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCCCCCC[Mg+] H31707 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CCCCCN=[N+]=[N-] A1948 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 CNCCCCNC D41624 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 COCCOCCI K40420 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 COCCOCCN M38824 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.1 ClCCCCCCBr B39200 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.1 ClCCCCCCI C38559 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 ICCCCCCI D41535 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.1 N#CCOCCCO H31839 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 NCCCCCCN H68834 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.1 NCCCCCCO A36606 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 NCCCNCCBr B40441 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.1 NCCCNCCO H38578 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.1 OCCCCCCBr B41603 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.1 OCCCCCCCl C64682 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.1 OCCCCCCI I4468 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.6 BrCCNCCBr B28721 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 C#CCCCCI K43321 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.6 C#CCCCCO H41456 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.6 C=CCCCCBr B9212 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.6 C=CCCCCO H41549 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.6 CCOCCC#N E41255 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 CNCCCCBr B40429 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.6 CNCCCCO M38840 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.6 COCCCCBr B40422 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 ClCCCCCBr B39164 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.6 ClCCNCCCl B69332 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 FCCCCCBr B37978 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.6 ICCCCCI D24633 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 N#CCCCCBr B41217 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 N#CCCCCCl C69554 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 N#CCCCCN A6983 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 NCCNCCO A68374 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.6 NCCOCCN X39968 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 NCCOCCN X40357 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 O=CCCCCCl C41277 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.6 O=CCCCCO H32202 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 OCCOCCCl C60784 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.6 OCCOCCO D43939 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.1 C#CCCC(=O)CCO H6251 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.1 CCCC[C@H](N)CCO A62132 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.4 BrCCCCCCCBr D43869 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.4 C#CCCCCCCO O5669 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.4 C=CCCCCCCCl C47108 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.4 CCCCCCCNC M47212 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.4 CCOCCOCCO E60752 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.4 COCCCCCCBr B43941 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.4 COCCNCCOC B64968 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.4 COCOCOCOC T40437 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.4 OCCCCCCCBr B43940 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.4 OCCCNCCCO A37173 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.6 COC(=O)COCCCl M41275 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.6 NCCCC[C@H](N)CO D43570 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.7 CC(C)NCCCCO I38536 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.7 CCCCCCB(O)O H41623 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.7 CN(C)CCOCCO D68347 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.7 COCCOCC(=O)O M37948 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.7 NCCOCCC(=O)O A40415 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.7 O=C(O)CCOCCBr B41274 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.2 BrCC1=CCCCC1 B10308 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 BrCC1CCCCC1 B43832 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.2 BrCC1CCNCC1 B1292 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.2 BrCC1CCOCC1 B3933 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.2 CCC1COCCN1 O5554 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 CC[C@H]1COCCN1 E22377 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.2 FCC1CCNCC1 F1237 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.2 FCC1CCNCC1 F14211 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.2 ICC1CCCCC1 I38363 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.2 ICC1CCOCC1 I10217 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.2 N#CC1CCCCC1 C69224 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 N#CC1CCCCN1 P20239 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 NCC1CCCCC1 C43900 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.2 NCC1CCOCC1 T1166 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.2 NCC1CCSCC1 T13090 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.2 NC[C@H]1COCCO1 D11965 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.2 NC[C@H]1COCCO1 D15491 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.2 NNC1CCCCC1 C43508 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.2 OCC1CCNCC1 P0766 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.2 OCC1CCOCC1 H0390 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.2 OCC1CCSCC1 T13093 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,0,0,1,0,0|1,0,2]=4 131 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,0,0,1,0,0|0,0,0]=1 133 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,0,0,1,0,0|1,0,0]=2 141 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,0,0,1,0,0|1,0,0]=2 142 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,0,0,1,0,0|1,0,0]=2 149 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.2 OC[C@H]1COCCN1 M41332 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.2 OC[C@H]1COCCN1 M61069 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.2 OC[C@H]1COCCN1 M61885 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.2 OC[C@H]1COCCO1 D23561 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.2 OC[C@H]1COCCO1 D40389 [0,0,0,1,0,0|1,0,0]=2 156 B8R1.2 ONC1CCCCC1 C43480 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 CC1CCNCC1O H11697 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.5 CC1CCNCC1O H11698 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.5 CC1CNCCC1O M17031 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 CC1CNCCC1O M41575 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,2]=4 172 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,0,0,1,0,0|1,0,0]=2 174 B8R1.5 C[C@H]1CNCCN1C D11166 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.5 C[C@H]1CNCCN1C D23865 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.5 C[C@H]1CNCCN1C D41606 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.5 NC1COCCC1O A7869 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,0,0,1,0,0|1,0,0]=2 190 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,0,0,1,0,0|1,0,0]=2 191 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,0,0,1,0,0|1,0,0]=2 193 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,0,0,1,0,0|1,0,0]=2 206 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,0,0,1,0,0|1,0,0]=2 207 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,0,0,1,0,0|1,0,0]=2 208 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.5 OC1CCCCC1Cl C41533 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.5 OC1CCNCC1F F32301 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.5 OC1CCOCC1F F20039 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,0,0,1,0,0|2,0,0]=3 218 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,0,0,1,0,0|2,0,0]=3 228 B8R1.8 BrCCC1OCCO1 B41267 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.8 C#CCN1CCCC1 P46471 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.8 COC[C@H]1CCCN1 M14242 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.8 ClCCN1CCCC1 C41544 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.8 N#CCN1CCCC1 C43583 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.8 N#CCN1CCCC1 P38197 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.8 NCCC1CCCC1 C46503 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.8 NCCN1CCCC1 P41605 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|1,0,2]=4 241 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.11 CN1CCC[C@H]1CN M0297 [0,0,0,1,0,0|3,0,0]=4 246 B8R1.11 CN1CCC[C@H]1CN M43564 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.11 CN1CCC[C@H]1CO M12480 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.11 CO[C@@H]1CNC[C@H]1F F11644 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,0,0,1,0,0|1,0,0]=2 256 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,0,0,1,0,0|1,0,0]=2 257 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [0,0,0,1,0,0|3,0,0]=4 260 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,1,0,0|2,0,0]=3 267 B5R0.2 BrCCCCBr D69410 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.2 C#CCCCO P68382 [2,0,0,0,0,0|0,0,2]=4 269 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|0,0,2]=4 270 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|1,0,0]=3 274 B5R0.2 COCCC#N M39153 [2,0,0,0,0,0|1,0,1]=4 275 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|1,0,0]=3 276 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,0]=3 277 B5R0.2 ClCCCCI C40239 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.2 ICCCCI D37834 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.2 NCCCCBr B39952 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.2 NCCCCN D39162 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|0,0,0]=2 283 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,1,0,0,0,0|1,0,0]=3 284 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.4 CC(C)CCCCBr B43898 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.4 CCCCCB(O)O P38628 [1,1,0,0,0,0|1,0,0]=3 289 B7R0.4 CCCCC[C@H](C)O H43947 [1,1,0,0,0,0|0,0,0]=2 290 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|0,0,2]=4 291 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|0,0,1]=3 292 B7R0.4 CN(C)CCCCO D41621 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.4 C[C@H](O)CNCCO H40448 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|1,0,1]=4 300 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|0,0,0]=2 302 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.7 CCOC(=O)CNC S69399 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.7 CCOC(=O)CSC E40386 [1,1,0,0,0,0|1,0,1]=4 307 B9R0.5 CCOC(=O)COCCCl E41531 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.2 CC(C)NCCCCCO I38899 [0,2,0,0,0,0|1,0,0]=3 309 B9R0.2 CCCCCCCB(O)O H43957 [0,2,0,0,0,0|1,0,0]=3 310 B9R0.2 NCCCCCCC(=O)O A46516 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.2 NCCCCCCC(=O)O A67452 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.2 O=C(O)CCCCCCBr B43862 [0,2,0,0,0,0|1,0,1]=4 313 B9R0.2 O=C(O)CCCCCCO H36659 [0,2,0,0,0,0|1,0,1]=4 314 B9R0.45 BrCCCCCCCCBr D60579 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.45 C#CCCCCCCCO N50499 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.45 C#CCOCCOCCN P38448 [0,2,0,0,0,0|1,0,1]=4 317 B9R0.45 C=CCCCCCCCCl C50527 [0,2,0,0,0,0|2,0,0]=4 318 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.45 CCCCCCCCNC M50621 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.45 CCCCCCCNCC E50620 [0,2,0,0,0,0|2,0,0]=4 322 B9R0.45 NCCOCCOCCO A36621 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.45 OCCCCCCC#CI I1888 [0,2,0,0,0,0|1,0,1]=4 324 B9R0.45 OCCCCCCCCBr B47189 [0,2,0,0,0,0|1,0,0]=3 325 B9R0.45 OCCCCCCCCCl C47190 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.45 OCCCCCCCCO X39448 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.45 OCCCSSCCCO D41614 [0,2,0,0,0,0|1,1,0]=4 328 B9R0.45 OCCOCCOCCCl C39206 [0,2,0,0,0,0|0,0,0]=2 329 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.50 COC(COCCN)OC D62261 [0,2,0,0,0,0|2,0,0]=4 335 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.1 BrC[C@H]1CCCO1 B17294 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.1 C#C[C@H]1CCOC1 E11326 [1,0,0,1,0,0|0,0,2]=4 339 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|1,0,0]=3 341 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.1 CN[C@H]1CCOC1 M1156 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.1 CO[C@@H]1CCNC1 M0200 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.1 CO[C@@H]1CCNC1 M12251 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.1 CO[C@H]1CCNC1 M1159 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.1 CO[C@H]1CCNC1 M7459 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.1 FC[C@@H]1CCCN1 F1127 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.1 FC[C@@H]1CCNC1 F60420 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.1 FC[C@H]1CCCN1 F12954 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.1 N#C[C@@H]1CCOC1 T12072 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.1 N#C[C@H]1CCOC1 T12073 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.1 N#C[C@H]1CCOC1 T12452 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.1 NCC1CCCC1 C5395 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.1 NC[C@@H]1CCCN1 A7822 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.1 NC[C@@H]1CCCO1 T25038 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.1 NC[C@H]1CCCN1 A60830 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.1 NNC1CCCC1 C22580 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,2]=4 366 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|0,0,2]=4 367 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|0,0,0]=2 368 B7R1.1 OCC1OCCO1 D40256 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,0,0,1,0,0|0,0,0]=2 372 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.1 OC[C@H]1CCCN1 P14128 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.1 OC[C@H]1CCCN1 P67898 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.1 OC[C@H]1CCCO1 T67581 [1,0,0,1,0,0|0,0,0]=2 378 B7R1.1 OC[C@H]1CCCO1 T68627 [1,0,0,1,0,0|0,0,0]=2 379 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.3 BrC1CCNCC1 B40375 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.3 BrC1CCOCC1 B1507 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.3 BrC1CCSCC1 B31817 [1,0,0,1,0,0|1,1,0]=4 390 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|0,0,2]=4 391 B7R1.3 CC1SCCCS1 M63108 [1,0,0,1,0,0|1,1,0]=4 392 B7R1.3 CN1CCNCC1 M13367 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.3 C[C@@H]1CNCCN1 M10716 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.3 C[C@@H]1CNCCO1 M15403 [1,0,0,1,0,0|1,0,0]=3 396 B7R1.3 C[C@@H]1CNCCO1 M28760 [1,0,0,1,0,0|1,0,0]=3 397 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,1,0,0|1,0,0]=3 398 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,1,0,0|1,0,0]=3 399 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|1,0,0]=3 400 B7R1.3 C[C@H]1CNCCN1 M10717 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.3 C[C@H]1CNCCO1 M15401 [1,0,0,1,0,0|1,0,0]=3 402 B7R1.3 C[C@H]1CNCCO1 M15402 [1,0,0,1,0,0|1,0,0]=3 403 B7R1.3 C[C@H]1CNCCO1 M29509 [1,0,0,1,0,0|1,0,0]=3 404 B7R1.3 C[C@H]1CNCCO1 M41323 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,1,0,0|1,0,0]=3 406 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,1,0,0|1,0,0]=3 408 B7R1.3 ClC1CCNCC1 C40376 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.3 ClC1CCOCC1 C4527 [1,0,0,1,0,0|1,0,0]=3 410 B7R1.3 FC1CCNCC1 F6080 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.3 F[C@@H]1CCCNC1 F7495 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.3 F[C@H]1CCCNC1 F1651 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.3 F[C@H]1CCCNC1 F7461 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.3 IC1CCOCC1 I1189 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.3 IC1CCSCC1 I31818 [1,0,0,1,0,0|1,1,0]=4 416 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|1,0,0]=3 417 B7R1.3 NC1CCNCC1 P67610 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.3 NC1CCOCC1 A1504 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.3 NC1CCOCC1 T1169 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.3 NC1CCSCC1 T22381 [1,0,0,1,0,0|1,1,0]=4 421 B7R1.3 NC1CCSCC1 T5312 [1,0,0,1,0,0|1,1,0]=4 422 B7R1.3 NN1CCOCC1 A39946 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.3 N[C@@H]1CCCNC1 A10836 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.3 N[C@@H]1CCCNC1 P32424 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.3 N[C@H]1CCCNC1 P41385 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.3 N[C@H]1CCCNC1 P67457 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|0,0,2]=4 431 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.3 OC1CCNCC1 P24137 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.3 OC1CCNCC1 P41321 [1,0,0,1,0,0|1,0,0]=3 435 B7R1.3 OC1CCOCC1 H0389 [1,0,0,1,0,0|1,0,0]=3 436 B7R1.3 OC1CCSCC1 H31816 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.3 OC1COCOC1 D38760 [1,0,0,1,0,0|1,0,0]=3 438 B7R1.3 O[C@@H]1CCCNC1 H12298 [1,0,0,1,0,0|1,0,0]=3 439 B7R1.3 O[C@@H]1CCCNC1 H1652 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,1,0,0|0,0,0]=2 441 B7R1.3 O[C@@H]1CNCCO1 M40347 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.3 O[C@H]1CCCNC1 H0276 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.3 O[C@H]1CCCNC1 H10264 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.3 O[C@H]1CCCNC1 H10265 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.3 O[C@H]1CCCNC1 H4736 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,1,0,0|0,0,0]=2 447 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,1,0,0|0,0,0]=2 448 B7R1.3 SC1CCNCC1 P11895 [1,0,0,1,0,0|1,1,0]=4 449 B7R1.3 S[C@H]1CCCNC1 P15399 [1,0,0,1,0,0|1,1,0]=4 450 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|1,0,0]=3 451 B7R1.3 [Mg+]C1CCOCC1 T8353 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.3 [Mg+]C1CCOCC1 T8354 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.3 [Mg+]C1CCSCC1 T31824 [1,0,0,1,0,0|1,1,0]=4 454 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,2]=4 458 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,2]=4 459 B7R1.4 NC1CCCC1O A40401 [1,0,0,1,0,0|1,0,0]=3 460 B7R1.4 NC1COCC1O A32163 [1,0,0,1,0,0|1,0,0]=3 461 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [1,0,0,1,0,0|1,0,0]=3 465 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [1,0,0,1,0,0|1,0,0]=3 467 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [1,0,0,1,0,0|1,0,0]=3 473 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [1,0,0,1,0,0|1,0,0]=3 475 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [1,0,0,1,0,0|1,0,0]=3 479 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.4 O[C@H]1COC[C@H]1O A10821 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.5 CCC[C@@H]1ON1C M65450 [1,0,0,1,0,0|1,0,0]=3 489 B7R1.6 CCNC1COC1 E8452 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.6 CCOC1CNC1 E41322 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.6 COC[C@@H]1CCN1 M11645 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.6 COC[C@@H]1CCN1 M20218 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.6 COC[C@H]1CCN1 M11646 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.6 COC[C@H]1CCN1 M14791 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.6 ClCCN1CCC1 C11577 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|1,0,0]=3 497 B7R1.6 NCCN1CCC1 A25439 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.6 NNCC1CCC1 C17979 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.6 OCCN1CCC1 A25441 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.8 CN1CC[C@@H]1CN A14392 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.8 CN1CC[C@@H]1CN A14394 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.8 CN1CC[C@H]1CN A14393 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.8 NCC1CCC1F F59751 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,1]=4 508 B7R1.8 OCC1CCC1F F60214 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.24 C1CNCCNC1 H67920 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,0,0]=3 512 B7R1.24 C1CNCCSC1 H6236 [1,0,0,1,0,0|1,1,0]=4 513 B9R1.2 CC1CCCC(CO)N1 M13497 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.2 CN1CCO[C@@H](CN)C1 M38222 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.2 CN1CCO[C@@H](CO)C1 M62084 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.2 CN1CCO[C@@H](CO)C1 M62085 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.2 CN1CCO[C@H](CO)C1 M62083 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.8 BrCCC1CCCCC1 B0374 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.8 BrCCC1OCCCO1 B41524 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.8 BrCCN1CCCCC1 B43882 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.8 BrCCN1CCOCC1 B32212 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.8 BrCCN1CCOCC1 B38590 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.8 C=CC[C@H]1COCCN1 A37189 [0,1,0,1,0,0|1,0,1]=4 528 B9R1.8 CCCC1CCNCC1 P49579 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.8 COCC1CCNCC1 M14337 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.8 COCC1CCNCC1 M26475 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.8 COC[C@@H]1CNCCO1 M43500 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.8 COC[C@@H]1COCCN1 M43499 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.8 COC[C@H]1CNCCO1 M41585 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.8 COC[C@H]1CNCCO1 M43493 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.8 COC[C@H]1CNCCO1 M43498 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.8 COC[C@H]1COCCN1 M43494 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.8 ClCCN1CCCCC1 C13526 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.8 FCCN1CCNCC1 F28670 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.8 ICCC1CCCCC1 I0264 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.8 N#CCC1CCCCC1 C47050 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.8 NCCC1CCCCC1 C49581 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.8 NCCC1CCOCC1 A1671 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.8 NCCC1CCOCC1 T46515 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.8 NCCN1CCCCC1 P22781 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.8 NCCN1CCCCC1 P46604 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.8 NCCN1CCOCC1 M41610 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.8 OCCC1CCNCC1 P24598 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.8 OCCC1CCOCC1 H10319 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.8 OCCC1SCCCS1 D41570 [0,1,0,1,0,0|1,1,0]=4 554 B9R1.8 OCCN1CCNCC1 H13372 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.12 BrCCCN1CCCC1 B43883 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.12 C#CCCC1OCCO1 B5679 [0,1,0,1,0,0|0,0,1]=3 567 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.12 ClCCCC1OCCO1 C69086 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.12 ClCCCN1CCCC1 C24351 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.12 ClCCCN1CCCC1 C43884 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.12 NCCCN1CCCC1 P43942 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.12 OCCCN1CCCC1 P43909 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,1,0,1,0,0|1,0,0]=3 576 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.15 CN1CCOC[C@@H]1CO M41586 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.15 CN1CCOC[C@@H]1CO M62086 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.15 CN1CCOC[C@H]1CO M63660 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.15 CO[C@@H]1CCNC[C@H]1O M20588 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.15 CO[C@@H]1COCC[C@@H]1N M59942 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.15 CO[C@@H]1COCC[C@H]1N A10508 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|1,0,1]=4 584 B9R1.15 CO[C@H]1COCC[C@@H]1N A10509 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.15 CO[C@H]1COCC[C@H]1N A1571 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.15 NC[C@@H]1CCNC[C@@H]1O A14826 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.15 NC[C@@H]1CCNC[C@H]1O A15422 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [0,1,0,1,0,0|1,0,0]=3 590 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [0,1,0,1,0,0|1,0,0]=3 591 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 A66885 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,1,0,1,0,0|1,0,1]=4 594 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O H40397 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.33 CN1CCC[C@@H]1CCN A68588 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.33 CN1CCC[C@@H]1CCN M30075 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.33 CN1CCC[C@H]1CCN M13734 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|1,0,1]=4 601 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.134 CC1(CCN)OCCO1 M5779 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.134 OCCC1(O)CCCC1 H6282 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.14 CN[C@H]1CNC[C@@H]1OC M11120 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.14 CO[C@@H]1CNC[C@H]1OC D27523 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.14 CO[C@H]1CNC[C@H]1OC D24925 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.16 C=CCCC[C@@H]1C[C@H]1O P66476 [0,1,0,1,0,0|1,0,1]=4 612 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.89 N#CC1CCCCCC1 C62451 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.89 NCC1CCCCCC1 C49582 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.103 C1CNCCNCCN1 T43578 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.1 CC1CCC(CO)CN1 M29794 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.1 CN1CCC(CO)CC1 M0388 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,1,0,1,0,0|1,0,0]=3 628 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,1,0,0|1,0,1]=4 629 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,1,0,0|1,0,1]=4 630 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,1,0,0|1,0,1]=4 631 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.118 CC1(CO)CCNCC1 H7952 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.118 CC1(CO)CCOCC1 H14518 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.118 C[C@]1(CO)CCCNC1 H1804 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.118 C[C@]1(CO)CCCNC1 H7938 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.118 NC1(CO)CCOCC1 A1161 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.118 NCC1(N)CCCCC1 A62273 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.118 NCC1(O)CCCCC1 A63077 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.118 OCC1(F)CCNCC1 F1707 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.118 OCC1(F)CCNCC1 F36854 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.118 OCC1(F)CCOCC1 H8035 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.118 OCC1(O)CCNCC1 H0546 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.118 OCC1(O)CCNCC1 H7646 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.118 OC[C@]1(O)CCCNC1 H0769 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,1,0,0|1,0,1]=4 648 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,1,0,0|0,0,1]=3 650 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,1,0,0|1,0,1]=4 651 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,1,0,0|1,0,1]=4 652 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,1,0,0|1,0,1]=4 653 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,1,0,0|1,0,1]=4 654 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,1,0,0|1,0,1]=4 656 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.6 OB(O)C1CCCCC1 C2380 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|1,0,1]=4 659 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.40 CC1(C)CNCC[C@@H]1O D11693 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.40 CC1(C)COCC[C@@H]1N D15687 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.40 C[C@H]1CCNCC1(F)F D14886 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.40 OC1(O)CCOC[C@@H]1F F12100 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.40 O[C@H]1CNCCC1(F)F D13440 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.148 C[C@]1(O)CCCNCC1 H10268 [0,1,0,1,0,0|2,0,0]=4 668 B9R2.49 C1CC2CCC1CN2 A11448 [0,0,0,2,0,0|2,0,0]=4 669 B9R2.49 C1CC2CCC1CN2 A8975 [0,0,0,2,0,0|2,0,0]=4 670 B9R2.49 C1CC2CNC1CO2 X11762 [0,0,0,2,0,0|1,0,0]=3 671 B9R2.50 C1CNC2CNC2C1 D14370 [0,0,0,2,0,0|2,0,0]=4 672 B9R2.53 OC1C2CNCC1C2 A13735 [0,0,0,2,0,0|2,0,0]=4 673 B9R2.53 OC1C2CNCC1C2 A7297 [0,0,0,2,0,0|2,0,0]=4 674 B9R2.56 OCC12CNCC1C2 A11517 [0,0,0,2,0,0|2,0,0]=4 675 B9R2.56 OCC12CNCC1C2 A14525 [0,0,0,2,0,0|2,0,0]=4 676 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 A10413 [0,0,0,2,0,0|2,0,0]=4 677 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 X10839 [0,0,0,2,0,0|2,0,0]=4 678 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E13455 [0,0,0,2,0,0|2,0,0]=4 679 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E31654 [0,0,0,2,0,0|2,0,0]=4 680 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,2,0,0|2,0,0]=4 681 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,2,0,0|2,0,0]=4 682 B9R2.68 C1CC2CNCC1N2 D43558 [0,0,0,2,0,0|2,0,0]=4 683 B9R2.68 C1CC2CNCC1O2 X14974 [0,0,0,2,0,0|1,0,0]=3 684 B9R2.68 C1CC2CNCC1O2 X6234 [0,0,0,2,0,0|1,0,0]=3 685 B9R2.68 C1CC2COCC1N2 X11304 [0,0,0,2,0,0|1,0,0]=3 686 B9R2.68 C1CC2COCC1N2 X14120 [0,0,0,2,0,0|1,0,0]=3 687 B9R2.68 C1CN2CCC(C2)N1 D11752 [0,0,0,2,0,0|2,0,0]=4 688 B9R2.68 C1CN2CC[C@@H](C2)N1 D14976 [0,0,0,2,0,0|2,0,0]=4 689 B9R2.68 C1CN2CC[C@H](C2)N1 D11753 [0,0,0,2,0,0|2,0,0]=4 690 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [0,0,0,2,0,0|1,0,0]=3 691 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [0,0,0,2,0,0|1,0,0]=3 692 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [0,0,0,2,0,0|1,0,0]=3 693 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,2,0,0|2,0,0]=4 694 B9R2.174 C1CC2(CCO1)CO2 D22002 [0,0,0,2,0,0|2,0,0]=4 695 B9R2.174 C1CNC2(CC2)CN1 D13994 [0,0,0,2,0,0|2,0,0]=4 696 B9R2.174 C1CNC2(CC2)CN1 D19927 [0,0,0,2,0,0|2,0,0]=4 697 B9R2.174 C1CNC2(CC2)CN1 D7230 [0,0,0,2,0,0|2,0,0]=4 698 B9R2.174 C1COC2(CC2)CN1 X19638 [0,0,0,2,0,0|1,0,0]=3 699 B9R2.174 C1COCC2(CC2)N1 X62464 [0,0,0,2,0,0|1,0,0]=3 700 B9R2.6 CC12CCNCC1C2 M15531 [0,0,0,2,0,0|2,0,0]=4 701 B9R2.6 CC12CCNCC1C2 M29994 [0,0,0,2,0,0|2,0,0]=4 702 B9R2.6 NC12CCCCC1C2 B60483 [0,0,0,2,0,0|2,0,0]=4 703 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,0,0,2,0,0|2,0,0]=4 704 B9R2.39 OC1CC2CC1CN2 A13307 [0,0,0,2,0,0|2,0,0]=4 705 B9R2.39 OC1CC2CC1CN2 A29726 [0,0,0,2,0,0|2,0,0]=4 706 B9R2.39 OC1CC2CNC1C2 A31041 [0,0,0,2,0,0|2,0,0]=4 707 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 A27101 [0,0,0,2,0,0|2,0,0]=4 708 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|1,0,0]=3 709 B9R2.39 O[C@@H]1C[C@H]2CC[C@H]1N2 A13086 [0,0,0,2,0,0|2,0,0]=4 710 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 A27100 [0,0,0,2,0,0|2,0,0]=4 711 B9R2.39 O[C@H]1C[C@H]2CC[C@H]1N2 A13085 [0,0,0,2,0,0|2,0,0]=4 712 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|0,0,2]=4 713 B9R2.3 C1CC2CNCC2C1 X37040 [0,0,0,2,0,0|2,0,0]=4 714 B9R2.3 C1CC2CNCC2O1 H15277 [0,0,0,2,0,0|1,0,0]=3 715 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 X14333 [0,0,0,2,0,0|2,0,0]=4 716 B9R2.3 C1NCC2COCC12 H10732 [0,0,0,2,0,0|2,0,0]=4 717 B9R2.173 C1CC2(CCO2)CN1 X12068 [0,0,0,2,0,0|2,0,0]=4 718 B9R2.173 C1CCC2(C1)CCN2 A14687 [0,0,0,2,0,0|2,0,0]=4 719 B9R2.173 C1CNC2(C1)CCC2 A15582 [0,0,0,2,0,0|2,0,0]=4 720 B9R2.173 C1CNC2(C1)CCC2 A7184 [0,0,0,2,0,0|2,0,0]=4 721 B9R2.173 C1COC2(C1)CNC2 X7225 [0,0,0,2,0,0|2,0,0]=4 722 B9R2.173 C1C[C@@]2(CCO2)CN1 O5948 [0,0,0,2,0,0|2,0,0]=4 723 B9R2.173 C1C[C@@]2(CCO2)CN1 X8445 [0,0,0,2,0,0|2,0,0]=4 724 B9R2.140 N[C@H]1CCC12CCC2 S59785 [0,0,0,2,0,0|2,0,0]=4 725 B9R2.5 F[C@H]1CNCC12CC2 F60452 [0,0,0,2,0,0|2,0,0]=4 726 B9R2.5 N[C@@H]1CNCC12CC2 A14071 [0,0,0,2,0,0|2,0,0]=4