0 B4R0.1 B(CC)(O)O LS11146 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C(C(=O)Cl)Br LS40185 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C(C(=O)N)I LS41576 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 C(C(=O)[O-])Br LS41065 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 CC(=C)CO LS40522 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 CC(=NO)C LS00155 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 CC(CCl)Cl LS40550 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC[C@@H](C)O LS30261 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC[C@H](C)O LS30260 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C[C@@H](CCl)O LS30025 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C[C@@H](CO)Cl LS30257 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C[C@@H](CO)N LS30252 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C[C@@H](CO)O LS30238 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C[C@H](CCl)O LS30026 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C[C@H](CO)Cl LS30085 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 C[C@H](CO)N LS30253 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 C[C@H](CO)O LS30239 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.1 C(CCl)N LS40418 [1,0,0,0,0,0|1,0,1]=3 18 B3R0.1 C(CF)O LS40655 [1,0,0,0,0,0|1,0,1]=3 19 B3R0.1 C(CO)N LS41686 [1,0,0,0,0,0|0,0,1]=2 20 B3R0.1 CCNN LS40292 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.2 B(C)(O)O LS11144 [1,0,0,0,0,0|1,0,1]=3 22 B3R0.2 B(O)(O)O LS41322 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.2 BN(C)C LS00132 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.2 C(=N)(N)Cl LS41086 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.2 C(=O)(O)[O-] LS60311 [1,0,0,0,0,0|1,0,0]=2 26 B3R0.2 CC(=O)O LS00077 [1,0,0,0,0,0|0,0,0]=1 27 B3R0.2 CC(=O)[O-] LS60288 [1,0,0,0,0,0|0,0,1]=2 28 B3R0.2 CC(=O)[O-] LS60289 [1,0,0,0,0,0|0,0,1]=2 29 B3R0.2 CC(=O)[O-] LS60314 [1,0,0,0,0,0|0,0,1]=2 30 B3R0.2 CC(C)[O-] LS60292 [1,0,0,0,0,0|1,0,2]=4 31 B3R0.2 CN(C)C LS41629 [1,0,0,0,0,0|3,0,0]=4 32 B3R0.2 CP(C)C LS41013 [1,0,0,0,0,0|3,0,0]=4 33 B3R0.2 OP(O)[O-] LS00064 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.2 OP([O-])[O-] LS00019 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.2 OP([O-])[O-] LS00063 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.2 [N+](=O)([O-])[O-] LS60312 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.2 [O-]I(=O)=O LS41974 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.2 [O-]I(=O)=O LS41976 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.2 [O-]P(=O)=O LS60296 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 B(CCC)(O)O LS11148 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 C(C#N)C(=O)N LS41191 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 C(CO)C(=O)O LS40008 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CC#CC(=O)O LS40078 [0,1,0,0,0,0|1,0,1]=3 46 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 CCC[C@H](C)O LS30258 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.3 C(C(=O)CO)O LS41177 [0,1,0,0,0,0|1,0,0]=2 49 B5R0.3 C(C(CO)N)O LS41161 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,1,0,0,0,0|1,0,1]=3 51 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,1,0,0,0,0|1,0,2]=4 52 B5R0.3 C([C@@H](CO)O)N LS30120 [0,1,0,0,0,0|0,0,2]=3 53 B5R0.3 C([C@H](CCl)O)O LS30055 [0,1,0,0,0,0|1,0,2]=4 54 B5R0.3 C([C@H](CO)O)N LS30267 [0,1,0,0,0,0|0,0,2]=3 55 B5R0.3 C=C(CBr)CBr LS40790 [0,1,0,0,0,0|3,0,0]=4 56 B5R0.3 C=C(CO)CO LS40793 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.3 CCC(CO)N LS40333 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.3 CC[C@H](CO)O LS30249 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.3 COC(=O)C#C LS40367 [0,1,0,0,0,0|1,0,1]=3 61 B5R0.3 COC(=O)CBr LS40562 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.3 COC(=O)CF LS40581 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.4 C(C(F)(F)F)N LS40949 [0,1,0,0,0,0|2,0,1]=4 64 B5R0.4 C(C(F)(F)F)N LS40950 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.4 CC(C)(CCl)O LS40441 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.4 NOS(=O)(=O)O LS40462 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.5 B(C(C)C)(O)O LS11150 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,1,0,0,0,0|1,0,2]=4 73 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,1,0,0,0,0|1,0,2]=4 74 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.5 CC(=O)C(=O)O LS41153 [0,1,0,0,0,0|1,0,1]=3 77 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,1,0,0,0,0|1,0,2]=4 78 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,1,0,0,0,0|1,0,2]=4 80 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,1,0,0,0,0|1,0,2]=4 81 B5R0.5 CC(C(=O)O)Br LS40410 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,1,0,0,0,0|1,0,0]=2 84 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,1,0,0|2,0,0]=3 85 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,1,0,0|2,0,0]=3 86 B5R1.2 C1C(CN1)O LS40392 [0,0,0,1,0,0|1,0,1]=3 87 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,1,0,0|2,0,0]=3 88 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,0,0,1,0,0|2,0,1]=4 89 B5R1.3 C1[C@@H](O1)CO LS30048 [0,0,0,1,0,0|2,0,1]=4 90 B5R1.3 C1[C@H](O1)CO LS30049 [0,0,0,1,0,0|2,0,1]=4 91 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,0,1,0,0|2,0,1]=4 92 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,0,1,0,0|2,0,1]=4 93 B2R0.1 C(=O)[O-] LS60287 [2,0,0,0,0,0|0,0,1]=3 94 B2R0.1 C(=O)[O-] LS60313 [2,0,0,0,0,0|0,0,1]=3 95 B2R0.1 [O-]P=O LS00029 [2,0,0,0,0,0|1,0,1]=4 96 B2R0.1 [O-]P=O LS41874 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.2 C(CN)CBr LS00114 [1,1,0,0,0,0|1,0,1]=4 98 B4R0.2 C(CO)CF LS40656 [1,1,0,0,0,0|1,0,1]=4 99 B4R0.2 C=CCCBr LS20765 [1,1,0,0,0,0|2,0,0]=4 100 B4R0.2 C=CCCO LS40761 [1,1,0,0,0,0|1,0,1]=4 101 B4R0.2 CNCCO LS40382 [1,1,0,0,0,0|0,0,1]=3 102 B4R0.2 COCCBr LS40281 [1,1,0,0,0,0|1,0,1]=4 103 B4R0.3 C[As](=O)(C)[O-] LS41740 [1,1,0,0,0,0|1,0,1]=4 104 B4R0.3 C[S+](=O)(C)C LS41693 [1,1,0,0,0,0|2,0,0]=4 105 B4R0.3 C[S+](=O)(C)C LS41694 [1,1,0,0,0,0|2,0,0]=4 106 B4R0.3 NS(=O)(=O)N LS41190 [1,1,0,0,0,0|1,0,1]=4 107 B4R0.3 OP(=O)(O)[O-] LS00066 [1,1,0,0,0,0|2,0,0]=4 108 B4R0.3 OP(=O)(O)[O-] LS60295 [1,1,0,0,0,0|2,0,0]=4 109 B4R0.3 OP(=O)(O)[O-] LS60300 [1,1,0,0,0,0|2,0,0]=4 110 B4R0.3 OP(=O)([O-])[O-] LS00067 [1,1,0,0,0,0|2,0,0]=4 111 B4R0.3 OP(=O)([O-])[O-] LS00068 [1,1,0,0,0,0|2,0,0]=4 112 B4R0.3 O[As](=O)(O)O LS41730 [1,1,0,0,0,0|2,0,0]=4 113 B4R0.3 O[As](=O)(O)[O-] LS41731 [1,1,0,0,0,0|2,0,0]=4 114 B4R0.3 O[As](=O)(O)[O-] LS41734 [1,1,0,0,0,0|2,0,0]=4 115 B4R0.3 O[As](=O)(O)[O-] LS41741 [1,1,0,0,0,0|2,0,0]=4 116 B4R0.3 O[As](=O)([O-])[O-] LS41738 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.1 CCOC(=O)CBr LS40563 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.1 CCOC(=O)CF LS40582 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.1 CCOC(=O)OC LS41158 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.1 CNC(=O)CC#N LS41677 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.1 COC(=N)CCCl LS40140 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.2 CC(=O)NC(=N)N LS40272 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,2,0,0,0,0|0,0,0]=2 124 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,2,0,0,0,0|0,0,0]=2 125 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,2,0,0,0,0|0,0,0]=2 126 B6R0.3 CCC(=O)C(=O)O LS41883 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.3 COC(=O)C(=C)F LS41928 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,2,0,0,0,0|1,0,0]=3 132 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,2,0,0,0,0|2,0,0]=4 133 B6R0.4 C=CCCC(=O)O LS41473 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.5 CS(=O)(=O)CCN LS40305 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.7 C(=O)(C(Br)(Br)Br)O LS41232 [0,2,0,0,0,0|1,0,0]=3 136 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl LS40687 [0,2,0,0,0,0|2,0,0]=4 137 B6R0.7 C(=O)(C(F)(F)F)N LS40728 [0,2,0,0,0,0|2,0,0]=4 138 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,2,0,0,0,0|0,0,0]=2 139 B4R1.2 CC1=CC1 LS00107 [1,0,0,1,0,0|2,0,0]=4 140 B4R1.2 C[C@@H]1CO1 LS30241 [1,0,0,1,0,0|1,0,1]=4 141 B4R1.2 C[C@H]1CO1 LS30240 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.2 C1CC(=O)OC1 LS40356 [0,1,0,1,0,0|1,0,0]=3 143 B6R1.2 C1CNCC1=O LS20898 [0,1,0,1,0,0|1,0,0]=3 144 B6R1.2 C1CNC[C@@H]1O LS30060 [0,1,0,1,0,0|1,0,1]=4 145 B6R1.2 C1CNC[C@@H]1O LS30061 [0,1,0,1,0,0|1,0,1]=4 146 B6R1.2 C1COCC1=O LS21051 [0,1,0,1,0,0|1,0,0]=3 147 B6R1.2 C1CSCC1=O LS40268 [0,1,0,1,0,0|1,1,0]=4 148 B6R1.2 c1coc(=O)o1 LS40378 [0,1,0,1,0,0|1,0,1]=4 149 B6R1.11 C1CC1C(=O)Cl LS40512 [0,1,0,1,0,0|2,0,0]=4 150 B6R1.11 C1CC1C(=O)N LS40035 [0,1,0,1,0,0|2,0,0]=4 151 B6R1.11 C1CC1C(=O)O LS41647 [0,1,0,1,0,0|1,0,0]=3