0 B6R0.4 B(CCCC)(O)O LS11153 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 C=CCCC(=O)O LS41473 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 B(CCC)(O)O LS11148 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 C(C#N)C(=O)N LS41191 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(CCO)N LS41893 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|0,0,2]=3 12 B5R0.1 CN(C)CCCl LS41162 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 C[C@@H](CCO)N LS30207 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C[C@H](CCO)N LS30127 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 C=CCCCBr LS20766 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 COCCCBr LS40222 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.4 CCCCCC(=O)Cl LS40461 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.6 CC(C)CCC(C)N LS41494 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|2,1,0]=4 27 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,0|1,1,0]=3 30 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|1,1,0]=3 31 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|1,1,0]=3 32 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 C1CCN(CC1)N LS20693 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.3 C1CCN(CC1)N LS20694 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,1,0,0|1,1,0]=3 39 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 C1COCCC1=O LS40242 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,0,0,1,0,0|2,1,0]=4 45 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,0,0,1,0,0|3,0,0]=4 46 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,2]=4 51 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,2]=4 52 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.2 CNCCO LS40382 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 COCCBr LS40281 [2,0,0,0,0,0|1,1,0]=4 56 B6R0.1 CCOC(=O)CBr LS40563 [1,1,0,0,0,0|0,1,0]=3 57 B6R0.1 CCOC(=O)CF LS40582 [1,1,0,0,0,0|0,1,0]=3 58 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|0,1,0]=3 59 B6R0.1 CNC(=O)CC#N LS41677 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.1 COC(=N)CCCl LS40140 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.2 CC(C)CC(C)N LS41472 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.3 CC(=O)N(C)OC LS41178 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.3 CCN(C)C(=O)Cl LS40081 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.5 CCCS(=O)(=O)Cl LS40243 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.5 CS(=O)(=O)CCN LS40305 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.6 C=CCCCCO LS40909 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.6 COCCCCCl LS00136 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.1 CCOC(=O)CCCCl LS41645 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.1 CCOC(=O)NCCCl LS41685 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,2,0,0,0,0|0,1,1]=4 80 B8R0.7 CC(=O)OCCCCBr LS41690 [0,2,0,0,0,0|0,1,0]=3 81 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,1,0]=3 82 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|1,0,0]=3 83 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|1,0,0]=3 85 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,1,0,0|1,0,0]=3 86 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|1,0,0]=3 87 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|1,0,0]=3 88 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|1,0,0]=3 89 B6R1.1 C1CCNCC1 LS20630 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.1 C1CSCCN1 LS20061 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,1,0,0|1,1,0]=4 92 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,1,0,0|1,1,0]=4 93 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.2 C1CCC(CC1)C=O LS40273 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.2 C1CCN(CC1)C=O LS20491 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,1,0,1,0,0|1,1,0]=4 99 B8R1.7 C1CNCC1C(=O)O LS20048 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,1,0,1,0,0|1,1,0]=4 101 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,1,0,1,0,0|1,1,0]=4 102 B8R1.78 C1CC(C1)(C(=O)O)N LS40291 [0,1,0,1,0,0|2,0,0]=4