0 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(CCO)N LS41893 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 C[C@H](CCO)N LS30127 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|0,0,1]=2 13 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 C\C(=N/C#N)\OC LS41000 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 B(CC(C)C)(O)O LS40457 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.2 CC(C)CC(C)N LS41472 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.5 C[Si](C)(C)CCO LS40275 [0,1,0,0,0,0|0,1,1]=3 41 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,0,2]=4 48 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,0,2]=4 49 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,1,1]=4 50 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,1,0,0|1,0,1]=3 55 B6R1.2 c1cocc1Br LS20289 [0,0,0,1,0,0|1,0,2]=4 56 B6R1.2 c1conc1N LS20282 [0,0,0,1,0,0|2,0,1]=4 57 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,1]=4 59 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|1,0,1]=4 66 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 68 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|1,0,0]=3 69 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.3 C=C(CBr)CBr LS40790 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.3 C=C(CO)CO LS40793 [1,1,0,0,0,0|0,0,1]=3 78 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|0,0,2]=4 84 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|0,0,1]=3 85 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.5 B(C(=C)C)(O)O LS11152 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.5 B(C(C)C)(O)O LS11150 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.2 C(CCF)CO LS40657 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.5 CN(C)C(=O)CC#N LS41676 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.7 C(NC(=O)NCO)O LS00085 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.14 CC(C)(C)C(=O)CCl LS40447 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|1,0,1]=4 110 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,0]=3 111 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,1,0]=4 112 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,0,1]=4 113 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,1]=4 114 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,0,1]=4 115 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,0,1]=4 116 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,0]=3 117 B5R1.1 c1cnoc1 LS21145 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|0,0,2]=4 124 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|0,0,2]=4 127 B7R1.6 C1C(=CC#N)CO1 LS41148 [0,1,0,1,0,0|1,0,1]=4