0 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,0,0,0,0,0|1,1,2]=4 1 B6R0.4 C=C(C)CNCC SC-47240 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C=CCCC(=O)O SC-25836 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,0,0,0,0,0|1,1,2]=4 4 B6R0.4 CC(=O)CCCBr SC-91341 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CC(=O)NCCN SC-19651 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(C)NCCCl SC-96276 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 CC(C)OCCBr SC-50384 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.4 CCCCC(=O)Cl SC-46867 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.4 CN(C)CCCBr SC-12824 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CN(C)CCCBr SC-48972 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CN(C)CCCCl SC-18516 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CN(C)CCCCl SC-53120 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 CNCCC(=O)O SC-27492 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CNCCC(=O)O SC-52914 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.4 CNCCN(C)C SC-29103 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 COCCC(=O)O SC-50255 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 COCCN(C)C SC-21743 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 CO\C=C\C(C)=O SC-71024 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.4 CSCCC(=O)O SC-96567 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.4 NCCCC(=O)O SC-10045 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 O=C(O)C#CCO SC-89192 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.4 O=C(O)CCCCl SC-89723 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 O=C(O)\C=C\CBr SC-53654 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 C#CCC(=O)O SC-40344 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 C=C(C)CCBr SC-26305 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 C=C(C)OCC SC-18086 [1,0,0,0,0,0|1,1,0]=3 29 B5R0.1 C=CCC(=O)O SC-49093 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 C=COC(C)=O SC-79059 [1,0,0,0,0,0|0,1,2]=4 31 B5R0.1 CC#CC(=O)O SC-76460 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.1 CC(=O)CC#N SC-26510 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(=O)CCCl SC-21586 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 CC(=O)CCO SC-65678 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CC(=O)OCBr SC-44237 [1,0,0,0,0,0|1,1,0]=3 36 B5R0.1 CC(=O)\C=N/O SC-89466 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(=O)\C=N\O SC-68143 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)=CCBr SC-13678 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(C)=CCN SC-51952 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(C)=CCO SC-77150 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(N)CCO SC-82589 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCCB(O)O SC-47544 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CCCC(=O)Cl SC-18924 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CCCC(C)N SC-53929 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 CCCC(C)O SC-03320 [1,0,0,0,0,0|0,0,2]=3 48 B5R0.1 CCCC(N)=O SC-46377 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 CCN=C(N)N SC-15057 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCNC(C)C SC-84122 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CCOC(=S)[S-] SC-62877 [1,0,0,0,0,0|1,2,0]=4 52 B5R0.1 CCOC(C)=N SC-02547 [1,0,0,0,0,0|1,1,0]=3 53 B5R0.1 CCOC(C)=N SC-A3540 [1,0,0,0,0,0|1,1,0]=3 54 B5R0.1 CCOC(N)=O SC-16133 [1,0,0,0,0,0|1,1,0]=3 55 B5R0.1 CCSC(=N)N SC-20585 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.1 CCSC(=N)N SC-53442 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CN(C)CCBr SC-21756 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CN(C)CCBr SC-27529 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CN(C)CCCl SC-18600 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CN(C)CCCl SC-47184 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CN(C)CCO SC-87330 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CNCC(=O)O SC-10425 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 CNCC(N)=O SC-10429 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.1 COCC(=N)N SC-41213 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 COCC(=N)N SC-73218 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 COCC(=O)Cl SC-27381 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.1 COCC(C)N SC-48787 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.1 COCC(C)O SC-00293 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 COC[C@@H](C)N SC-47724 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.1 COC[C@@H](C)O SC-04836 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 CS(=O)CCN SC-89327 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.1 CSCS(C)=O SC-87090 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.1 CSNC(C)=O SC-28667 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.1 C[C@@H](N)CCO SC-48293 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 C[C@@H](O)CCO SC-05919 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 C[C@H](O)CCO SC-02840 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 C\C=C/C(=O)O SC-25924 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 C\C=C/C(C)=O SC-48085 [1,0,0,0,0,0|0,0,2]=3 79 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 N#CCC(=O)O SC-18648 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 N#CCC(N)=O SC-26759 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 NCCC(=O)O SC-10014 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.1 NCCC(N)=O SC-48688 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 NCCC(N)=O SC-84499 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.1 O=C(Cl)CCCl SC-16310 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.1 O=C(O)CCBr SC-18441 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 C=CCCCBr SC-47340 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 C=CCCCN SC-28944 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.2 C=CCCCO SC-78424 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 C=CCSSC SC-87236 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.2 C=COCCO SC-22660 [1,0,0,0,0,0|1,1,1]=4 93 B5R0.2 CC#CCC=O SC-89818 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.2 CCCCNN SC-68008 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.2 CCSCCCl SC-43710 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.2 CNCCCO SC-94106 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.2 CNCCNC SC-19090 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.2 CNCCOC SC-15056 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.2 CNCCSC SC-74374 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.2 CNCCSC SC-83575 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.2 COCCC=O SC-85357 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.2 COCCCBr SC-20920 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.2 C\C=C\OCC SC-89361 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.2 O=C=NCCBr SC-82407 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 O=C=NCCCl SC-13627 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 O=CCCC=O SC-13455 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 O=CCCCBr SC-69595 [1,0,0,0,0,0|2,0,0]=3 108 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.3 C#CCCC(=O)OC SC-92252 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.3 C=CCOC(=O)CCl SC-95960 [0,1,0,0,0,0|0,1,2]=4 115 B7R0.3 C=CCOC(=O)OC SC-82329 [0,1,0,0,0,0|0,1,2]=4 116 B7R0.3 CCCCC(=N)OC SC-91480 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.3 CCCCC(Br)CBr SC-94096 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 CCCCC(O)CO SC-74356 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.3 COC(=O)C#CCO SC-48272 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.3 COC(=O)CCC=O SC-47529 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 COC(=O)CCCCl SC-15079 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 COC(=O)\C=C\CBr SC-17676 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.3 COC(=O)\C=C\CBr SC-49570 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.3 COCCC(=O)OC SC-46379 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.3 CO\C=C\C(=O)OC SC-90792 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.4 C#CCCCC(=O)O SC-73017 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.4 CCCC#CC(=O)O SC-96568 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.4 CCCNCC(=O)O SC-97541 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.4 CCCSCC(=O)O SC-45283 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,1,0,0,0,0|1,0,0]=2 132 B7R0.4 CCO\C=C\C(=O)Cl SC-50076 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.4 CCO\C=C\C(=O)O SC-89061 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.4 CNCCCC(=O)O SC-49793 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.4 CNCCCC(=O)O SC-A2900 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.4 CNCCCN(C)C SC-95620 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.4 COCCCC(=O)O SC-51378 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.4 COCCNC(N)=O SC-62189 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.4 NC(=O)CCCCBr SC-98143 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.4 NCCCCC(=O)O SC-10120 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.4 NCCCCC(=O)O SC-92391 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.4 NCCCCC(N)=O SC-94858 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.4 NCCCCC(N)=O SC-A4262 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.4 NCCNCC(=O)O SC-21750 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,1,0,0,0,0|2,0,0]=3 147 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.4 O=C(O)CCCCBr SC-02338 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.4 O=C([O-])COCCO SC-A2671 [0,1,0,0,0,0|2,1,0]=4 150 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,1,0,0,0,0|2,0,0]=3 152 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,1,0,0,0,0|0,1,0]=2 168 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,1,0,0,0,0|2,0,0]=3 170 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,1,0,0,0,0|2,1,0]=4 172 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,1,0,0,0,0|2,0,0]=3 174 B7R0.6 CC(O)CCC(C)O SC-92842 [0,1,0,0,0,0|1,0,2]=4 175 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,1,0,0,0,0|1,1,0]=3 179 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.8 CCCNS(N)(=O)=O SC-12816 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.8 CCCNS(N)(=O)=O SC-90105 [0,1,0,0,0,0|3,0,0]=4 182 B7R0.8 CS(=O)(=O)CCCO SC-A4044 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.8 CS(=O)(=O)CCC[NH3+] SC-26607 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,0|0,1,2]=4 186 B7R1.2 CC1=CSC(C)=C1 SC-81879 [0,0,0,1,0,0|1,0,2]=4 187 B7R1.2 CC1=CSC(C)=N1 SC-05201 [0,0,0,1,0,0|1,0,2]=4 188 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,0|0,1,0]=2 191 B7R1.2 CC1COC(=O)O1 SC-65189 [0,0,0,1,0,0|1,1,0]=3 192 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,0|1,1,0]=3 193 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,0|1,1,0]=3 194 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,0|1,1,0]=3 196 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,0|1,1,0]=3 198 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,0,0,1,0,0|1,1,1]=4 202 B7R1.2 O=C1CSC(=O)N1 SC-17499 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,0|1,1,0]=3 206 B7R1.3 BrC1=CCCCC1 SC-69986 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 C=C1CCNCC1 SC-88353 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 CC1=CCCCC1 SC-99243 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 CC1=CCCNC1 SC-82898 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.3 CC1=CCNCC1 SC-B8899 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 CC1CCCCC1 SC-79075 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.3 C[SiH]1CCCCO1 SC-91060 [0,0,0,1,0,0|1,1,1]=4 213 B7R1.3 ClC1CCCCO1 SC-85266 [0,0,0,1,0,0|1,1,1]=4 214 B7R1.3 FC1CCCCC1 SC-09547 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.3 NN1CCCCC1 SC-18780 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.3 O=C1C=CCCN1 SC-25185 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.3 O=C1C=CCCO1 SC-50374 [0,0,0,1,0,0|0,1,2]=4 218 B7R1.3 O=C1CCCCN1 SC-16274 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.3 O=C1CCCCO1 SC-65111 [0,0,0,1,0,0|0,1,0]=2 220 B7R1.3 O=C1CCCNC1 SC-29391 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.3 O=C1CCCNC1 SC-48015 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.3 O=C1CCCOC1 SC-14944 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.3 O=C1CCNCC1 SC-04236 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.3 O=C1CCNCC1 SC-04379 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.3 O=C1CCNCC1 SC-19352 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.3 O=C1CCOCC1 SC-03251 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.3 O=C1CCSCC1 SC-19697 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 O=C1CNCCN1 SC-05365 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 O=C1CNCCO1 SC-84883 [0,0,0,1,0,0|1,1,0]=3 230 B7R1.3 O=C1COCCN1 SC-24222 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.3 O=C1CSCCN1 SC-28581 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.3 OC1CCCCO1 SC-84303 [0,0,0,1,0,0|0,1,2]=4 233 B7R1.3 ON1CCCCC1 SC-13334 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.14 CC1(C)CCCN1 SC-89406 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.14 CC1(C)NCCS1 SC-13595 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.14 O=S1(=O)CCCC1 SC-46369 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.14 O=S1(=O)CCCN1 SC-82164 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.14 O=S1(=O)CCCO1 SC-17901 [0,0,0,1,0,0|2,1,0]=4 244 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.18 CC(O)C1CCC1 SC-22088 [0,0,0,1,0,0|1,0,2]=4 246 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,0,0,1,0,0|1,0,0]=2 252 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,0,0,1,0,0|2,0,0]=3 254 B4R0.1 C=C(C)CBr SC-50158 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 C=C(C)CF SC-89300 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.1 C=C(C)CN SC-43404 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.1 C=C(C)CN SC-84159 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CC(=O)C#N SC-51001 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.1 CC(=O)C=O SC-74380 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 CC(=O)CBr SC-20936 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.1 CC(=O)CN SC-28532 [2,0,0,0,0,0|1,0,0]=3 262 B4R0.1 CC(=O)CN SC-89750 [2,0,0,0,0,0|1,0,0]=3 263 B4R0.1 CC(=O)NO SC-18498 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 CCC(=N)N SC-53846 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 CCC(=O)O SC-22887 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.1 CCC(=O)[O-] SC-47286 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CCC(C)O SC-01234 [2,0,0,0,0,0|0,0,2]=4 268 B4R0.1 CCC(N)=O SC-18213 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.1 CCS(=O)[O-] SC-20356 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 CC[C@H](C)N SC-81828 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.1 CC[C@H](C)O SC-04418 [2,0,0,0,0,0|0,0,2]=4 272 B4R0.1 CNC(N)=O SC-15862 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.1 CSC(=N)N SC-97881 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.1 C\C=C(\C)Br SC-91379 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 NC(=O)CBr SC-17752 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.1 NC(=O)CI SC-18913 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.1 NCC(=O)O SC-26884 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 NCC(N)=O SC-09567 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 NCC(N)=O SC-18427 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 O=C(Br)CBr SC-18428 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 O=C(Cl)CBr SC-49267 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 O=C(O)CBr SC-18211 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 O=C(O)CO SC-23119 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 O=C(O)CO SC-26092 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 O=C([O-])CI SC-80290 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.2 C=CCCCl SC-90795 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.2 C=CCCN SC-48242 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.2 C=CCCN SC-52106 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.2 C=CCCO SC-45284 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 C=CCNC SC-05902 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.2 C=CCSC SC-47211 [2,0,0,0,0,0|0,0,2]=4 292 B4R0.2 CCCNC SC-27548 [2,0,0,0,0,0|1,0,0]=3 293 B4R0.2 CCN=C=O SC-11793 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.2 CCOCC SC-73354 [2,0,0,0,0,0|0,1,1]=4 295 B4R0.2 CNCCBr SC-98001 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|1,0,0]=3 297 B4R0.2 COCCCl SC-05903 [2,0,0,0,0,0|1,1,0]=4 298 B4R0.2 COCCN SC-22236 [2,0,0,0,0,0|1,1,0]=4 299 B4R0.2 CSCCCl SC-53991 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.2 CSCCN SC-28443 [2,0,0,0,0,0|1,0,0]=3 301 B4R0.2 CSCCN SC-83550 [2,0,0,0,0,0|1,0,0]=3 302 B4R0.2 CSCCO SC-19276 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.2 C\C=C/CO SC-69832 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.2 C\C=C\CCl SC-22573 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.2 C\C=C\CO SC-25521 [2,0,0,0,0,0|1,0,1]=4 306 B4R0.2 C\C=C\CO SC-69597 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.2 C\C=C\OC SC-97407 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|1,0,0]=3 309 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.1 C#CC(=O)OCC SC-05846 [1,1,0,0,0,0|0,1,1]=4 311 B6R0.1 C#CCC(=O)OC SC-13148 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.1 C=CCC(=O)OC SC-48829 [1,1,0,0,0,0|0,0,2]=4 313 B6R0.1 CC#CC(=O)OC SC-48510 [1,1,0,0,0,0|0,0,2]=4 314 B6R0.1 CCOC(=N)CCl SC-39703 [1,1,0,0,0,0|1,1,0]=4 315 B6R0.1 CCOC(=N)CCl SC-53117 [1,1,0,0,0,0|1,1,0]=4 316 B6R0.1 CCOC(=O)C#N SC-20120 [1,1,0,0,0,0|0,1,1]=4 317 B6R0.1 CCOC(=O)CBr SC-17870 [1,1,0,0,0,0|0,1,0]=3 318 B6R0.1 CCOC(=O)CCl SC-79310 [1,1,0,0,0,0|0,1,0]=3 319 B6R0.1 CCOC(=O)CN SC-09569 [1,1,0,0,0,0|0,1,0]=3 320 B6R0.1 CCOC(=O)CN SC-48652 [1,1,0,0,0,0|0,1,0]=3 321 B6R0.1 CCOC(=O)CO SC-50412 [1,1,0,0,0,0|0,1,0]=3 322 B6R0.1 CCOC(=O)CS SC-18381 [1,1,0,0,0,0|0,1,0]=3 323 B6R0.1 CCOC(=O)NN SC-50147 [1,1,0,0,0,0|1,1,0]=4 324 B6R0.1 CNC(=O)CC#N SC-97600 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.1 CNCC(=O)OC SC-10432 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.1 COC(=O)CC=O SC-53143 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.1 COC(=O)CCBr SC-18677 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.1 COC(=O)CCN SC-21486 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.1 COC(=O)CCO SC-21690 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.1 COC(=O)CSC SC-20536 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.1 COC(=O)OCCl SC-53303 [1,1,0,0,0,0|1,1,0]=4 332 B6R0.1 COCC(=O)NN SC-54001 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.1 COCC(=O)OC SC-62202 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.1 C\C=C\C(=O)OC SC-22589 [1,1,0,0,0,0|0,0,2]=4 335 B6R0.1 O=C(CCl)NCO SC-21590 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.2 CC(=O)CC(C)=O SC-77723 [1,1,0,0,0,0|0,0,1]=3 338 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.2 CC(=O)OC(C)C SC-25616 [1,1,0,0,0,0|0,1,0]=3 340 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [1,1,0,0,0,0|0,0,2]=4 343 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [1,1,0,0,0,0|0,0,2]=4 344 B6R0.2 CC(Cl)CN(C)C SC-81232 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,1,0,0,0,0|1,1,0]=4 346 B6R0.2 CN(C)CC(N)=O SC-89197 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 CC(CBr)C(=O)O SC-53016 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.3 CC(CN)C(=O)O SC-10095 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.3 CC(CN)C(=O)O SC-16443 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.3 CCC(F)C(=O)O SC-82839 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.3 CCC(N)C(=O)O SC-25570 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.3 CCC(N)C(N)=O SC-67619 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.3 CCC(S)C(=O)O SC-90417 [1,1,0,0,0,0|1,0,0]=3 359 B6R0.3 CCN(O)C(C)=O SC-69302 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.3 COC(=O)C(C)=O SC-15233 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.3 COC(C)C(=O)O SC-49776 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.3 CON(C)C(C)=O SC-20924 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.3 NC(CO)C(=O)O SC-09828 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.3 NC(CS)C(=O)O SC-16429 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.3 NCC(N)C(=O)O SC-12518 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.3 NCC(N)C(=O)O SC-26817 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.3 NCC(O)C(=O)O SC-10335 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.3 O=C(O)C(Br)CBr SC-26969 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.3 O=C(O)C(O)CCl SC-83865 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.5 CCCP(=O)(O)O SC-A3323 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.5 CCCS(=O)(=O)O SC-80781 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.5 CCCS(N)(=O)=O SC-95067 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.5 CCC[N+](C)(C)C SC-79778 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.5 CCOS(C)(=O)=O SC-21355 [1,1,0,0,0,0|1,1,0]=4 396 B6R0.5 CCOS(C)(=O)=O SC-80833 [1,1,0,0,0,0|1,1,0]=4 397 B6R0.5 CCS[Si](C)(C)C SC-90297 [1,1,0,0,0,0|1,1,0]=4 398 B6R0.5 CS(=O)(=O)CCBr SC-03864 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.5 CS(=O)(=O)CCN SC-12252 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.6 C=CCCCCBr SC-27023 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.6 CCCCCNC SC-25672 [1,1,0,0,0,0|1,0,1]=4 402 B6R0.6 CCCCON=O SC-70750 [1,1,0,0,0,0|1,1,0]=4 403 B6R0.6 CCC\C=C\C=O SC-25240 [1,1,0,0,0,0|1,0,0]=3 404 B6R0.6 CCOCCCO SC-00354 [1,1,0,0,0,0|0,1,1]=4 405 B6R0.6 CNCCCCO SC-13108 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.6 CNCCCNC SC-47576 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.6 CNCCCOC SC-51293 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.6 COCCCCCl SC-01876 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.6 COCCCOC SC-47077 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.6 COCCN=C=O SC-72245 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.6 C\C=C\CCCO SC-48265 [1,1,0,0,0,0|1,0,0]=3 412 B6R0.6 O=CCCCCCl SC-A3300 [1,1,0,0,0,0|1,0,0]=3 413 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.16 COC(CC(C)=O)OC SC-15190 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.19 CCC(=O)CC(=O)OC SC-13642 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.19 CCC(=O)OC(=O)CC SC-26875 [0,2,0,0,0,0|0,1,1]=4 418 B8R0.19 COC(=O)C[C@@H](O)CCl SC-08919 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.1 CCC#CC(=O)OCC SC-70982 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.1 CCOC(=O)CCCN SC-87395 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.1 CCOC(=O)CCCO SC-99324 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.3 CCCC(N)C(=O)OC SC-10383 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.3 CCOC(=O)C(=O)CBr SC-15234 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.3 CCOC(=O)C(=O)CC SC-46250 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.3 COC(=O)C(Br)CCBr SC-22210 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.6 C#CCCCC(=O)OC SC-82496 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.6 CCCSCC(=O)OC SC-44744 [0,2,0,0,0,0|0,0,0]=2 436 B8R0.6 COC(=O)CCCCBr SC-66180 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [0,2,0,0,0,0|0,1,1]=4 447 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.11 CCO\C=C(\C=O)CC SC-74280 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.7 C#CCCCCC(=O)O SC-20440 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.7 CCCCOCC(=O)O SC-22619 [0,2,0,0,0,0|1,1,0]=4 452 B8R0.7 CCCCSCC(=N)N SC-38959 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.7 COCCOCC(=O)O SC-89730 [0,2,0,0,0,0|1,1,0]=4 454 B8R0.7 NCCCCCC(=O)O SC-10067 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.7 O=C(O)CCCCCBr SC-04420 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.7 O=C(O)CCCCCO SC-17400 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.7 O=C(O)CCOCCBr SC-A2260 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.7 O=C([O-])CCCCCO SC-82416 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,2,0,0,0,0|2,0,0]=4 461 B6R1.2 CC1=CCCC1 SC-46849 [1,0,0,1,0,0|1,0,0]=3 462 B6R1.2 CC1=CCCO1 SC-69814 [1,0,0,1,0,0|0,0,2]=4 463 B6R1.2 CC1=NCCC1 SC-07079 [1,0,0,1,0,0|1,0,0]=3 464 B6R1.2 CC1CCCN1 SC-89376 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.2 CC1CCCN1 SC-A3822 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.2 CN1CCCC1 SC-19022 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.2 C[C@H]1CCCN1 SC-95860 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.2 FC1CCCC1 SC-09548 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.2 NC1=NCCC1 SC-68430 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.2 NC1CCCC1 SC-84758 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.2 NN1CCCC1 SC-01559 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.2 NN1CCCC1 SC-65336 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.2 O=C1C=CCC1 SC-07348 [1,0,0,1,0,0|0,0,2]=4 474 B6R1.2 O=C1CCCN1 SC-85210 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.2 O=C1CCNC1 SC-24328 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.2 O=C1CCNC1 SC-50749 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.2 O=C1CCNN1 SC-21405 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.2 O=C1CCOC1 SC-21867 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.2 O=C1NCCO1 SC-04833 [1,0,0,1,0,0|1,1,0]=4 480 B6R1.2 O=C1NCCS1 SC-27050 [1,0,0,1,0,0|1,0,0]=3 481 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,1,0,0|1,0,0]=3 484 B6R1.10 CC1(N)CCC1 SC-38385 [1,0,0,1,0,0|1,0,1]=4 485 B6R1.10 CC1(N)CCC1 SC-82175 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.10 C[Si]1(Cl)CCC1 SC-65745 [1,0,0,1,0,0|1,1,0]=4 487 B6R1.10 O=S1(=O)CCC1 SC-28013 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.11 CC(=O)C1CC1 SC-17503 [1,0,0,1,0,0|0,0,0]=2 489 B6R1.11 CC(O)C1CC1 SC-19615 [1,0,0,1,0,0|0,0,2]=4 490 B6R1.11 CN(C)C1CC1 SC-00873 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.11 C[C@@H](N)C1CC1 SC-83564 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.11 C[C@H](N)C1CC1 SC-87033 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.11 N=C(N)C1CC1 SC-05436 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.11 N=C(N)C1CC1 SC-12465 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.11 NC(=O)C1CC1 SC-92415 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.11 O=C(Cl)C1CC1 SC-19263 [1,0,0,1,0,0|1,0,0]=3 497 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|1,0,0]=3 498 B6R1.11 O=C(O)C1CO1 SC-83949 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.1 C1=CCNCC1 SC-83515 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.1 C1=COCCC1 SC-00342 [1,0,0,1,0,0|0,1,1]=4 501 B6R1.1 C1CCNCC1 SC-05687 [1,0,0,1,0,0|1,0,1]=4 502 B6R1.1 C1CCNNC1 SC-84334 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.1 C1CCONC1 SC-82296 [1,0,0,1,0,0|1,1,0]=4 504 B6R1.1 C1CC[NH2+]CC1 SC-48018 [1,0,0,1,0,0|1,0,1]=4 505 B6R1.1 C1CSCSC1 SC-46192 [1,0,0,1,0,0|0,1,1]=4 506 B6R1.6 CNC1CCC1 SC-48003 [1,0,0,1,0,0|2,0,0]=4 507 B6R1.6 O=CC1CCC1 SC-14218 [1,0,0,1,0,0|1,0,0]=3 508 B6R1.6 O=CC1COC1 SC-65750 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,1,0,1,0,0|1,1,0]=4 514 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,1,0,1,0,0|1,1,0]=4 516 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,1,0,1,0,0|1,1,0]=4 526 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.4 O=C1CCCC(=O)N1 SC-65454 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,1,0,1,0,0|0,1,1]=4 532 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.4 O=C1CSCC(=O)C1 SC-21904 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,1,0,1,0,0|0,1,1]=4 535 B8R1.18 CC1OC(=O)OC1C SC-21491 [0,1,0,1,0,0|1,1,0]=4 536 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.34 O=C(O)CC1COC1 SC-70807 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.40 COC(=O)CC1CC1 SC-93890 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.40 NCC(=O)OC1CC1 SC-19491 [0,1,0,1,0,0|0,1,0]=3 541 B8R1.40 NNC(=O)CC1CC1 SC-91241 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [0,1,0,1,0,0|0,1,0]=3 543 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.83 COC(=O)[C@@H]1O[C@H]1C SC-49429 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.2 COC1=CCCCC1 SC-28269 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.2 O=CC1=COCCC1 SC-46524 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.2 O=CC1CCCCC1 SC-02305 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.2 O=CC1CCCCN1 SC-29120 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.2 O=CN1CCCCC1 SC-02942 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.5 CC1CCCCC1=O SC-20428 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.5 C[C@H]1NCCNC1=O SC-05130 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.5 NC1CCCCC1=O SC-22252 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.5 NC1CCCCC1=O SC-84826 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.5 NC1CCCNC1=O SC-14514 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.5 N[C@@H]1CCCNC1=O SC-48796 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.5 N[C@H]1CCCNC1=O SC-27263 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.5 O=C1CCCCC1=O SC-46435 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.5 O=C1CCCCC1Br SC-86496 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.5 O=C1CCCCC1Cl SC-20977 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.5 O=C1CCCCC1O SC-49144 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.5 O=C1CCNCC1Br SC-94331 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.5 O=C1CCOCC1Br SC-33711 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.5 O=C1NCCCC1O SC-14922 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.22 O=C1CCCNCC1 SC-20974 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.22 O=C1CCCNCC1 SC-20993 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.22 O=C1CCNCCN1 SC-05951 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.22 O=C1CNCCCN1 SC-21981 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.38 COC(=O)C1CNC1 SC-12674 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.38 COC(=O)C1CNC1 SC-12778 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.38 O=C(CBr)C1CCC1 SC-23369 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.50 CN1C(=O)CCC1O SC-88414 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,1,0,1,0,0|1,1,0]=4 596 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,1,0,1,0,0|1,1,0]=4 602 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.72 O=S1(=O)CCCCN1 SC-48177 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.72 O=S1(=O)CCCCO1 SC-15335 [0,1,0,1,0,0|1,1,0]=4 608 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [0,1,0,1,0,0|2,0,0]=4