0 B4R0.1 B(CC)(O)O LS11146 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C(C(=O)Cl)Br LS40185 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C(C(=O)N)I LS41576 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C(C(=O)[O-])Br LS41065 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(=C)CO LS40522 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 CC(=NO)C LS00155 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CC(CCl)Cl LS40550 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC[C@@H](C)O LS30261 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 CC[C@H](C)O LS30260 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 COC(Cl)Cl LS00123 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 C[C@@H](CCl)O LS30025 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.1 C[C@@H](CO)Cl LS30257 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 C[C@@H](CO)N LS30252 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 C[C@@H](CO)O LS30238 [0,0,0,0,0,0|0,0,0]=0 14 B4R0.1 C[C@H](CCl)O LS30026 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 C[C@H](CO)Cl LS30085 [0,0,0,0,0,0|1,0,0]=1 16 B4R0.1 C[C@H](CO)N LS30253 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 C[C@H](CO)O LS30239 [0,0,0,0,0,0|0,0,0]=0 18 B3R0.1 C(CCl)N LS40418 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.1 C(CF)O LS40655 [1,0,0,0,0,0|1,0,0]=2 20 B3R0.1 C(CO)N LS41686 [1,0,0,0,0,0|1,0,0]=2 21 B3R0.1 CCNN LS40292 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 CNOC LS41340 [1,0,0,0,0,0|3,0,0]=4 23 B3R0.2 B(C)(O)O LS11144 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.2 B(O)(O)O LS41322 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.2 BN(C)C LS00132 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.2 C(=O)(O)[O-] LS60311 [1,0,0,0,0,0|1,0,2]=4 27 B3R0.2 CC(=O)O LS00077 [1,0,0,0,0,0|0,0,2]=3 28 B3R0.2 CC(=O)[O-] LS60288 [1,0,0,0,0,0|0,0,3]=4 29 B3R0.2 CC(=O)[O-] LS60289 [1,0,0,0,0,0|0,0,3]=4 30 B3R0.2 CC(=O)[O-] LS60314 [1,0,0,0,0,0|0,0,3]=4 31 B3R0.2 CC(C)[O-] LS60292 [1,0,0,0,0,0|0,0,1]=2 32 B3R0.2 CN(C)C LS41629 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 CP(C)C LS41013 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.2 OP(O)[O-] LS00064 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.2 OP([O-])[O-] LS00019 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.2 OP([O-])[O-] LS00063 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 B(CCC)(O)O LS11148 [0,1,0,0,0,0|3,0,0]=4 38 B5R0.1 C(CO)C(=O)O LS40008 [0,1,0,0,0,0|1,0,1]=3 39 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.1 CC(CCO)N LS41893 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.1 CCC[C@H](C)O LS30258 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.1 CN(C)CCCl LS41162 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 C[C@@H](CCO)N LS30207 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.1 C[C@H](CCO)N LS30127 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.3 C(C(=O)CO)O LS41177 [0,1,0,0,0,0|0,0,2]=3 47 B5R0.3 C(C(C#N)Cl)Cl LS41727 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.3 C(C(CO)N)O LS41161 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,1,0,0,0,0|0,0,0]=1 51 B5R0.3 C([C@@H](CO)O)N LS30120 [0,1,0,0,0,0|0,0,0]=1 52 B5R0.3 C([C@H](CCl)O)O LS30055 [0,1,0,0,0,0|0,0,0]=1 53 B5R0.3 C([C@H](CO)O)N LS30267 [0,1,0,0,0,0|0,0,0]=1 54 B5R0.3 C=C(CBr)CBr LS40790 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.3 C=C(CO)CO LS40793 [0,1,0,0,0,0|0,0,2]=3 56 B5R0.3 CCC(CO)N LS40333 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,0,0,0,0|0,0,0]=1 58 B5R0.3 CC[C@H](CO)O LS30249 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.3 COC(=O)CBr LS40562 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.3 COC(=O)CF LS40581 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.4 C(C(Br)(Br)Br)O LS41233 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.4 C(C(F)(F)F)N LS40949 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.4 C(C(F)(F)F)N LS40950 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.4 CC(C)(C)C=C LS40301 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.4 CC(C)(C)CO LS40233 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.4 CC(C)(CCl)O LS40441 [0,1,0,0,0,0|1,0,0]=2 67 B5R0.4 CC(CO)(F)F LS41182 [0,1,0,0,0,0|1,0,0]=2 68 B5R0.5 B(C(=C)C)(O)O LS11152 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.5 B(C(C)C)(O)O LS11150 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.5 CC(=O)C(=O)O LS41153 [0,1,0,0,0,0|0,0,3]=4 71 B5R0.5 CC(C(=O)O)Br LS40410 [0,1,0,0,0,0|1,0,1]=3 72 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,1,0,0,0,0|1,0,1]=3 74 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,1,0,0|0,0,2]=3 75 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,1,0,0|0,1,2]=4 76 B5R1.2 C1C(CN1)O LS40392 [0,0,0,1,0,0|1,0,0]=2 77 B5R1.2 C1C(CO1)I LS41126 [0,0,0,1,0,0|1,0,0]=2 78 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,1,0,0|1,0,2]=4 79 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,0,0,1,0,0|1,0,0]=2 80 B5R1.3 C1[C@@H](O1)CO LS30048 [0,0,0,1,0,0|0,0,0]=1 81 B5R1.3 C1[C@H](O1)CO LS30049 [0,0,0,1,0,0|0,0,0]=1 82 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,0,1,0,0|1,0,0]=2 83 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,0,1,0,0|1,0,0]=2 84 B4R0.2 C(CF)CF LS40664 [1,1,0,0,0,0|1,0,0]=3 85 B4R0.2 C(CN)CBr LS00114 [1,1,0,0,0,0|1,0,0]=3 86 B4R0.2 C(CO)CF LS40656 [1,1,0,0,0,0|0,0,0]=2 87 B4R0.2 C=CCCBr LS20765 [1,1,0,0,0,0|1,0,1]=4 88 B4R0.2 C=CCCO LS40761 [1,1,0,0,0,0|0,0,1]=3 89 B4R0.2 CNCCO LS40382 [1,1,0,0,0,0|0,0,0]=2 90 B4R0.2 COCCBr LS40281 [1,1,0,0,0,0|1,0,0]=3 91 B4R0.3 CC(C)(C)[O-] LS60293 [1,1,0,0,0,0|0,0,1]=3 92 B4R0.3 C[As](=O)(C)[O-] LS41740 [1,1,0,0,0,0|1,0,1]=4 93 B4R0.3 C[N+](C)(C)C LS00070 [1,1,0,0,0,0|2,0,0]=4 94 B4R0.3 C[S+](=O)(C)C LS41693 [1,1,0,0,0,0|1,0,1]=4 95 B4R0.3 C[S+](=O)(C)C LS41694 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.3 C[Si](C)(C)Br LS40381 [1,1,0,0,0,0|1,1,0]=4 97 B4R0.3 OP(=O)(O)[O-] LS00066 [1,1,0,0,0,0|2,0,0]=4 98 B4R0.3 OP(=O)(O)[O-] LS60295 [1,1,0,0,0,0|2,0,0]=4 99 B4R0.3 OP(=O)(O)[O-] LS60300 [1,1,0,0,0,0|2,0,0]=4 100 B4R0.3 O[As](=O)(O)O LS41730 [1,1,0,0,0,0|2,0,0]=4 101 B4R0.3 O[As](=O)(O)[O-] LS41731 [1,1,0,0,0,0|2,0,0]=4 102 B4R0.3 O[As](=O)(O)[O-] LS41734 [1,1,0,0,0,0|2,0,0]=4 103 B4R0.3 O[As](=O)(O)[O-] LS41741 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.2 B(CC(C)C)(O)O LS40457 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.2 CC(C)CC(C)N LS41472 [0,2,0,0,0,0|2,0,0]=4 108 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.3 B(C(C)CC)(O)O LS11154 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,2,0,0,0,0|0,0,1]=3 112 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.5 C(CO)C(F)(F)F LS40952 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.5 CC(C)(C)CC=O LS40274 [0,2,0,0,0,0|1,0,1]=4 115 B6R0.5 C[Si](C)(C)CCO LS40275 [0,2,0,0,0,0|1,1,0]=4 116 B6R0.8 CC(C)(CO)OC LS40980 [0,2,0,0,0,0|0,0,0]=2 117 B6R0.9 COC(CBr)OC LS41675 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.7 CC(C(F)(F)F)O LS40293 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,2,0,0,0,0|1,0,1]=4 120 B4R1.2 CC1=CC1 LS00107 [1,0,0,1,0,0|1,0,1]=4 121 B4R1.2 C[C@@H]1CO1 LS30241 [1,0,0,1,0,0|0,0,0]=2 122 B4R1.2 C[C@H]1CO1 LS30240 [1,0,0,1,0,0|0,0,0]=2 123 B6R1.2 C1CNCC1N LS20700 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.2 C1CNC[C@@H]1O LS30060 [0,1,0,1,0,0|1,0,0]=3 125 B6R1.2 C1CNC[C@@H]1O LS30061 [0,1,0,1,0,0|1,0,0]=3 126 B6R1.2 C1CNC[C@H]1N LS30070 [0,1,0,1,0,0|2,0,0]=4 127 B6R1.2 C1COCC1=O LS21051 [0,1,0,1,0,0|0,0,2]=4 128 B6R1.2 C1COCC1O LS21045 [0,1,0,1,0,0|0,0,0]=2 129 B6R1.2 C1COC[C@@H]1N LS30001 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.2 C1COC[C@@H]1O LS30063 [0,1,0,1,0,0|0,0,0]=2 131 B6R1.2 C1COC[C@H]1O LS30020 [0,1,0,1,0,0|0,0,0]=2 132 B6R1.2 C1COC[C@H]1O LS30064 [0,1,0,1,0,0|0,0,0]=2 133 B6R1.3 COC[C@@H]1CO1 LS30113 [0,1,0,1,0,0|0,0,0]=2 134 B6R1.11 B(C1CC1)(O)O LS00024 [0,1,0,1,0,0|2,0,0]=4 135 B6R1.11 C1CC1C(=O)O LS41647 [0,1,0,1,0,0|1,0,1]=4 136 B6R1.6 C1CC(C1)CBr LS40121 [0,1,0,1,0,0|2,0,0]=4 137 B6R1.6 C1CC(C1)CN LS40614 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.6 C1CC(C1)CN LS40654 [0,1,0,1,0,0|2,0,0]=4 139 B6R1.6 C1CC(C1)CO LS41574 [0,1,0,1,0,0|1,0,0]=3 140 B6R1.7 CC1(CO1)CCl LS40232 [0,1,0,1,0,0|1,0,0]=3