0 B5R0.1 B(CCC)(O)O LS11148 [1,0,0,0,0,0|2,0,1]=4 1 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CC(CCO)N LS41893 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|0,0,1]=2 6 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|0,0,1]=2 7 B5R0.1 CN(C)CCCl LS41162 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C[C@@H](CCO)N LS30207 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 C[C@H](CCO)N LS30127 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.2 C(CC#N)CCl LS40416 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 C(CCBr)CBr LS40910 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C(CCF)CF LS40665 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C(CCF)CO LS40657 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 C=CCCCBr LS20766 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 COCCC#N LS40792 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 COCCCBr LS40222 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 CCC(CO)N LS40333 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 CC[C@@H](CO)O LS30248 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.3 CC[C@H](CO)O LS30249 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.12 COCC(OC)OC LS40169 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.1 C1CCC(C1)C=O LS41696 [0,0,0,1,0,0|0,0,0]=1 25 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.1 C1CNC[C@H]1CO LS30146 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 C[C@H]1COCCN1 LS30012 [0,0,0,1,0,0|1,0,2]=4 40 B7R1.3 C[C@H]1COCCN1 LS30156 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.25 CC1(COC1)CO LS40343 [0,0,0,1,0,0|1,0,2]=4 43 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 CC(CCl)Cl LS40550 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,1]=3 46 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,1]=3 47 B4R0.1 C[C@@H](CCl)O LS30025 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 C[C@@H](CO)Cl LS30257 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 C[C@@H](CO)N LS30252 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 C[C@@H](CO)O LS30238 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 C[C@H](CCl)O LS30026 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 C[C@H](CO)Cl LS30085 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 C[C@H](CO)N LS30253 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 C[C@H](CO)O LS30239 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.2 C(CF)CF LS40664 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.2 C(CN)CBr LS00114 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 C(CO)CF LS40656 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 CNCCO LS40382 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 COCCBr LS40281 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(C)CC(C)N LS41472 [1,1,0,0,0,0|0,0,1]=3 63 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.5 CCCS(=O)(=O)Cl LS40243 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.5 CS(=O)(=O)CCN LS40305 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.6 C(CCF)CCF LS40666 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.6 C(CCO)CCF LS40658 [1,1,0,0,0,0|0,0,2]=4 71 B6R0.6 C=CCCCCO LS40909 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.6 COCCCCCl LS00136 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,2,0,0,0,0|1,0,0]=3 74 B8R0.11 COC(CCCCl)OC LS41642 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.12 CC(C)(CC=C)C(=O)O LS40113 [0,2,0,0,0,0|0,0,2]=4 76 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.2 C1CNCC1N LS20700 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.2 C1CNC[C@H]1N LS30070 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.2 C1COCC1O LS21045 [1,0,0,1,0,0|1,0,1]=4 84 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,1,0,0|1,0,1]=4 86 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.3 COC[C@@H]1CO1 LS30113 [1,0,0,1,0,0|1,0,1]=4 91 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.1 C1CCNCC1 LS20630 [1,0,0,1,0,0|1,0,1]=4 95 B6R1.6 C1CC(C1)CBr LS40121 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.6 C1CC(C1)CN LS40614 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.6 C1CC(C1)CN LS40654 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.6 C1CC(C1)CO LS41574 [1,0,0,1,0,0|0,0,2]=4 99 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.2 C1CCC(CC1)C=O LS40273 [0,1,0,1,0,0|0,0,0]=2 102 B8R1.2 C1CCC(CC1)CN LS40038 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.2 C1CCN(CC1)C=O LS20491 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.2 C1CCOC(C1)CO LS20884 [0,1,0,1,0,0|0,0,2]=4 105 B8R1.2 C1CNCCC1CN LS21222 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.2 CNC1CCCNC1 LS20138 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.2 CSC1CCNCC1 LS20119 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.52 CCC1(CCCC1)O LS41625 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.7 B(C1CCCC1)(O)O LS11157 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.7 C1CNCC1C(=O)O LS20048 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.78 C1CC(C1)(C(=O)O)N LS40291 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.78 CC1(COC1)C(=O)O LS40302 [0,1,0,1,0,0|1,0,0]=3