0 B5R0.1 B(CCC)(O)O LS11148 [0,0,0,0,0,0|2,1,0]=3 1 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,0,0,0,0,0|3,1,0]=4 4 B5R0.1 CC(CCO)N LS41893 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|0,1,0]=1 6 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|0,1,0]=1 7 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 C[C@H](CCO)N LS30127 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|2,1,0]=4 11 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,1,0]=2 14 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,1,0]=2 15 B4R0.1 COC(Cl)Cl LS00123 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|0,1,2]=4 29 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,1,0]=3 30 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,1,0,0,0,0|1,1,1]=4 33 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|1,1,1]=4 34 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.2 B(CC(C)C)(O)O LS40457 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.2 CC(C)CC(C)N LS41472 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.3 B(C(C)CC)(O)O LS11154 [0,1,0,0,0,0|2,1,0]=4 42 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.4 B(CCCC)(O)O LS11153 [0,1,0,0,0,0|2,1,0]=4 45 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|1,1,1]=4 46 B6R0.5 C(CBr)C(F)(F)F LS40955 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.5 C(CN)C(F)(F)F LS40956 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.5 C(CO)C(F)(F)F LS40952 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.5 CC(C)(C)CC=O LS40274 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.5 CCCS(=O)(=O)Cl LS40243 [0,1,0,0,0,0|2,1,0]=4 51 B6R0.5 CS(=O)(=O)CCN LS40305 [0,1,0,0,0,0|2,1,0]=4 52 B6R0.5 C[Si](C)(C)CCO LS40275 [0,1,0,0,0,0|2,1,0]=4 53 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|1,1,1]=4 54 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|1,1,1]=4 55 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|1,1,0]=3 57 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|1,1,0]=3 58 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,1,1]=4 60 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,1,0]=3 61 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,1,0]=3 63 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,1,0]=3 64 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,1,0]=3 65 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,1,1]=4 66 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.3 COC[C@@H]1CO1 LS30113 [0,0,0,1,0,0|1,1,0]=3 68 B6R1.11 B(C1CC1)(O)O LS00024 [0,0,0,1,0,0|2,1,0]=4 69 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|1,1,1]=4 70 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|1,1,1]=4 71 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|1,1,1]=4 72 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,1,0]=4 74 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,1,0]=4 75 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,1,0]=3 79 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|2,0,0]=4 80 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|1,1,0]=4 83 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|1,1,0]=4 84 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|1,1,0]=4 85 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|1,1,0]=4 86 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|1,1,0]=4 87 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|0,1,0]=3 89 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|0,1,0]=3 90 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,1,0]=4 92 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.2 C(CC#N)CCl LS40416 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.2 C(CCBr)CBr LS40910 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.2 C(CCF)CF LS40665 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.2 C(CCF)CO LS40657 [1,1,0,0,0,0|0,1,0]=3 97 B5R0.2 C=CCCCBr LS20766 [1,1,0,0,0,0|0,0,2]=4 98 B5R0.2 COCCC#N LS40792 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.2 COCCCBr LS40222 [1,1,0,0,0,0|1,0,0]=3 100 B7R0.2 CCC(C)CC(C)N LS41471 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|0,1,1]=4 102 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|0,1,1]=4 103 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|0,1,1]=4 104 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|0,1,1]=4 105 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|0,1,1]=4 107 B7R0.10 C(C(C(CO)Br)Br)O LS41719 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.11 CCCS(=O)(=O)OC LS41895 [0,2,0,0,0,0|1,1,0]=4 109 B7R0.12 COCC(OC)OC LS40169 [0,2,0,0,0,0|1,1,0]=4 110 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|0,1,1]=4 111 B7R0.6 CC(C)CCC(C)N LS41494 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.8 C(CC(F)(F)F)CO LS41866 [0,2,0,0,0,0|2,0,0]=4 113 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,1,0]=4 114 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|2,0,0]=4 115 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,1,1]=4 116 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,1,0]=4 117 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,1,0]=4 118 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,1,0]=4 119 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,1,0]=3 120 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,1,0]=3 121 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|0,1,0]=3 122 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|1,1,0]=4 124 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,1,0,0|0,1,0]=3 125 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,1,0,0|0,1,0]=3 126 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|0,1,1]=4 127 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|0,1,1]=4 128 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|0,1,0]=3 129 B7R1.3 C1CCN(CC1)N LS20693 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.3 C1CCN(CC1)N LS20694 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,1,0,0|1,1,0]=4 132 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.3 C1CNCCC1N LS20678 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.3 C1CNCCC1N LS20903 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|0,1,0]=3 136 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|0,1,1]=4 137 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|0,1,1]=4 138 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,1,0,0|0,1,0]=3 144 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,1,0,0|0,1,0]=3 148 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.25 CC1(COC1)CO LS40343 [0,1,0,1,0,0|1,1,0]=4 151 B7R1.16 C1C(CC1(F)F)N LS40893 [0,1,0,1,0,0|2,0,0]=4