0 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,0,0,0|0,0,0]=1 7 B6R1.2 C1CNCC1=O LS20898 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 C1CNCC1N LS20700 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 C1CNC[C@H]1N LS30070 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 C1COCC1=O LS21051 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 C1COCC1O LS21045 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 C1CSCC1=O LS40268 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,0,0,0|2,0,0]=3 20 B6R1.2 c1coc(=O)o1 LS40378 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,1,0,0,0,0|0,0,2]=3 22 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,0,0,0|1,0,0]=2 23 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.50 C1CC(=O)N(C1=O)I LS00001 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.50 C1CC(=O)N(C1=O)O LS00022 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 CCOC(=O)CBr LS40563 [0,0,1,0,0,0|1,0,0]=2 27 B6R0.1 CCOC(=O)CF LS40582 [0,0,1,0,0,0|1,0,0]=2 28 B6R0.1 CCOC(=O)OC LS41158 [0,0,1,0,0,0|1,0,0]=2 29 B6R0.2 CC(C)CC(C)N LS41472 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,1,0,0,0|3,0,0]=4 32 B6R0.2 C[SiH](C)O[SiH](C)C LS40745 [0,0,1,0,0,0|1,2,0]=4 33 B6R0.4 B(CCCC)(O)O LS11153 [0,0,1,0,0,0|1,0,1]=3 34 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,0,1,0,0,0|2,0,0]=3 35 B6R0.4 C=CCCC(=O)O LS41473 [0,0,1,0,0,0|0,0,2]=3 36 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,0,0,1|2,0,0]=3 37 B8R1.4 C1CNC(=O)CC1N LS20121 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,0,0,0,0,1|2,0,0]=3 39 B5R0.1 B(CCC)(O)O LS11148 [1,0,1,0,0,0|1,0,1]=4 40 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,1,0,0,0|2,0,0]=4 41 B5R0.1 C(CO)C(=O)O LS40008 [1,0,1,0,0,0|1,0,0]=3 42 B5R0.1 CC#CC(=O)O LS40078 [1,0,1,0,0,0|0,0,2]=4 43 B5R0.1 CC(CCO)N LS41893 [1,0,1,0,0,0|1,0,1]=4 44 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,1,0,0,0|0,0,1]=3 45 B5R0.1 CCC[C@H](C)O LS30258 [1,0,1,0,0,0|0,0,1]=3 46 B5R0.1 C[C@@H](CCO)N LS30207 [1,0,1,0,0,0|1,0,1]=4 47 B5R0.1 C[C@H](CCO)N LS30127 [1,0,1,0,0,0|1,0,1]=4 48 B5R0.2 C(CCF)CO LS40657 [1,0,1,0,0,0|1,0,1]=4 49 B5R0.2 C=CCCCBr LS20766 [1,0,1,0,0,0|2,0,0]=4 50 B5R0.3 C(C(=O)CO)O LS41177 [1,0,1,0,0,0|2,0,0]=4 51 B5R0.3 COC(=O)C#C LS40367 [1,0,1,0,0,0|0,0,2]=4 52 B5R0.3 COC(=O)CBr LS40562 [1,0,1,0,0,0|1,0,0]=3 53 B5R0.3 COC(=O)CF LS40581 [1,0,1,0,0,0|1,0,0]=3 54 B5R1.1 C1C=CCN1 LS20566 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,1,0,0,0|2,0,0]=4 56 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,1,0,0,0|2,0,0]=4 57 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,1,0,0,0|2,0,0]=4 58 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,1,0,0,0|2,0,0]=4 59 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,1,0,0,0|2,0,0]=4 60 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,1,1,0,0,0|0,0,0]=2 61 B7R0.7 CCOC(=O)CCCl LS40099 [0,1,1,0,0,0|0,0,0]=2 62 B7R0.4 B(CCCCC)(O)O LS11156 [0,1,1,0,0,0|1,0,1]=4 63 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,1,1,0,0,0|1,0,0]=3 64 B7R0.4 CCCCCC(=O)Cl LS40461 [0,1,1,0,0,0|1,0,0]=3 65 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,1,1,0,0,0|1,0,1]=4 66 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,1,1,0,0,0|0,0,2]=4 67 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,1,1,0,0,0|1,0,1]=4 68 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,1,1,0,0,0|0,0,1]=3 69 B7R0.8 C(CN)CP(=O)(O)O LS40178 [0,1,1,0,0,0|2,0,0]=4 70 B7R0.8 C(CN)CS(=O)(=O)O LS41859 [0,1,1,0,0,0|2,0,0]=4 71 B7R1.1 C1C=CCC1CO LS40472 [1,1,0,0,0,0|1,0,1]=4 72 B7R1.1 C1CCC(C1)C=O LS41696 [1,1,0,0,0,0|1,0,1]=4 73 B7R1.1 C1CNC[C@@H]1CO LS30145 [1,1,0,0,0,0|2,0,0]=4 74 B7R1.1 C1CNC[C@H]1CO LS30146 [1,1,0,0,0,0|2,0,0]=4 75 B7R1.1 C1C[C@@H](OC1)CN LS30245 [1,1,0,0,0,0|0,0,1]=3 76 B7R1.1 C1C[C@H](OC1)CN LS30244 [1,1,0,0,0,0|0,0,1]=3 77 B7R1.4 C1COC(=O)C1Br LS40518 [1,1,0,0,0,0|0,0,0]=2 78 B7R1.14 C1COS(=O)(=O)C1 LS40762 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.1 CCN1CCC(=O)CC1 LS21102 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.1 COC1CCC(=O)CC1 LS40609 [0,1,0,0,0,1|1,0,0]=3 81 B9R1.69 C1CC(=O)NC(=O)C1N LS20842 [0,1,0,0,0,1|2,0,0]=4 82 B9R1.69 C1CC(=O)NC(=O)C1N LS20843 [0,1,0,0,0,1|2,0,0]=4 83 B9R1.69 CC1CN(CCC1=O)C LS40400 [0,1,0,0,0,1|2,0,0]=4 84 B9R1.2 COC1=CC(=O)CCC1 LS41609 [0,1,0,0,0,1|1,0,1]=4 85 B9R1.34 CC1CC(=O)CC(=O)C1 LS40106 [0,1,0,0,0,1|1,0,0]=3 86 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,1,0,0,0,1|1,0,0]=3 87 B9R1.35 C1CC(=O)N[C@H]1C(=O)O LS30084 [0,2,0,0,0,0|1,0,1]=4 88 B9R1.138 CC1(CNC(=O)C1=O)C LS40979 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.138 CC1(CNC(=O)C1O)C LS40982 [0,2,0,0,0,0|2,0,0]=4 90 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,1,1,0,0|2,0,0]=4 91 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,1,1,0,0|2,0,0]=4 92 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,1,1,0,0|2,0,0]=4 93 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,1,1,0,0|2,0,0]=4 94 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,1,1,0,0|1,0,0]=3 95 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,1,1,0,0|2,0,0]=4 96 B7R1.3 C1COCCC1=O LS40242 [0,0,1,1,0,0|2,0,0]=4 97 B7R1.3 C1CSCCC1=O LS40396 [0,0,1,1,0,0|2,0,0]=4 98 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,0,1,1,0,0|1,0,0]=3 99 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,1,0,1,0|2,0,0]=4 100 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,1,0,1,0|2,0,0]=4 101 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,1,0,1,0|2,0,0]=4 102 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,0,1,0|1,0,0]=3 103 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,0,1,0|1,0,0]=3 104 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,0,1,0|0,0,0]=2 105 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,0,0,0,0,2|2,0,0]=4