0 B5R0.1 B(CCC)(O)O LS11148 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(C#N)C(=O)N LS41191 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CC#CC(=O)O LS40078 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(CCO)N LS41893 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C[C@H](CCO)N LS30127 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,0,2]=3 20 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|0,1,0]=2 34 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|0,1,0]=2 35 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|0,1,0]=2 36 B6R0.1 CNC(=O)CC#N LS41677 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.2 CC(=O)NC(=N)N LS40272 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.2 CC(C)CC(C)N LS41472 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.4 C=CCCC(=O)O LS41473 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.5 CCCS(=O)(=O)Cl LS40243 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.5 CS(=O)(=O)CCN LS40305 [0,1,0,0,0,0|3,0,0]=4 52 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|0,1,0]=2 53 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|2,0,0]=3 61 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|1,1,0]=4 63 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|1,1,0]=4 65 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,1,0]=3 66 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|0,1,0]=3 67 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|0,1,0]=3 68 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|0,1,0]=3 69 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 70 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.3 C=C(CBr)CBr LS40790 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.3 C=C(CO)CO LS40793 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|0,0,2]=4 77 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|0,0,2]=4 78 B5R0.3 COC(=O)C#C LS40367 [1,1,0,0,0,0|0,0,2]=4 79 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|0,1,0]=3 80 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|0,1,0]=3 81 B5R0.4 CNS(=O)(=O)C LS40122 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,0]=3 89 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.2 C=CCCCBr LS20766 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.2 COCCCBr LS40222 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|0,1,0]=3 103 B7R0.7 C(NC(=O)NCO)O LS00085 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.7 CCOC(=O)CCCl LS40099 [0,2,0,0,0,0|0,1,0]=3 105 B7R0.11 CCCS(=O)(=O)OC LS41895 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.4 CCCCCC(=O)Cl LS40461 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,2,0,0,0,0|1,1,0]=4 113 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|1,0,1]=4 114 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,0]=3 115 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,0]=3 116 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,0]=2 117 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,0,2]=4 118 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,0,2]=4 119 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,1,0,1,0,0|1,1,0]=4 122 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|0,1,0]=3 125 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|0,1,0]=3 126 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|0,1,0]=3 127 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|0,1,0]=3 133 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|0,1,0]=3 137 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,1,0,1,0,0|1,1,0]=4