0 B6R0.2 B(CC(C)C)(O)O LS40457 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)CC(C)N LS41472 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 C[SiH](C)O[SiH](C)C LS40745 [0,0,0,0,0,0|2,2,0]=4 6 B5R0.1 B(CCC)(O)O LS11148 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C(C#N)C(=O)N LS41191 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(CCO)N LS41893 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.1 CN(C)CCCl LS41162 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C[C@@H](CCO)N LS30207 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 C[C@H](CCO)N LS30127 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.9 C(C(=O)O)C(F)(F)F LS40953 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|2,0,0]=3 34 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,1,0|2,0,1]=4 35 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,1,0|2,0,1]=4 36 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,1,0|2,0,1]=4 37 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,1,0|2,0,1]=4 38 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,1,0|2,0,1]=4 39 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,1,0|2,0,1]=4 40 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,1,0|2,0,0]=3 41 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,1,0|2,0,0]=3 42 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,1,0|2,0,0]=3 43 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,1|2,0,1]=4 44 B7R0.6 CC(C)CCC(C)N LS41494 [0,0,0,0,0,1|1,0,1]=3 45 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CC(CCl)Cl LS40550 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.1 C[C@@H](CCl)O LS30025 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 C[C@@H](CO)Cl LS30257 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 C[C@@H](CO)N LS30252 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.1 C[C@@H](CO)O LS30238 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 C[C@H](CCl)O LS30026 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 C[C@H](CO)Cl LS30085 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.1 C[C@H](CO)N LS30253 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 C[C@H](CO)O LS30239 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CNCCO LS40382 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 COCCBr LS40281 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CCOC(=O)CBr LS40563 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.1 CCOC(=O)CF LS40582 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 CNC(=O)CC#N LS41677 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.1 COC(=N)CCCl LS40140 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.3 CC(=O)N(C)OC LS41178 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.3 CCN(C)C(=O)Cl LS40081 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.4 C=CCCC(=O)O LS41473 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.5 C(C=O)C(F)(F)F LS40954 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.5 CC(C)(C)CC=O LS40274 [1,1,0,0,0,0|0,0,0]=2 78 B6R0.5 CCCS(=O)(=O)Cl LS40243 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.5 CS(=O)(=O)CCN LS40305 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.5 C[Si](C)(C)CC=C LS40348 [1,1,0,0,0,0|0,1,1]=4 81 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,1,0,0,1,0|1,0,0]=3 82 B6R0.7 CC(C)(C)[S@@](=O)N LS30100 [0,1,0,0,1,0|2,0,0]=4 83 B6R0.7 CC(C)(C)[S@](=O)N LS30101 [0,1,0,0,1,0|2,0,0]=4 84 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,1|1,0,1]=4 85 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,2,0,0,0,0|1,0,1]=4 86 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.24 CC(C)(C)OC(=O)CBr LS41216 [0,2,0,0,0,0|1,0,0]=3 90 B8R0.24 CC(C)(C)OC(=O)CCl LS41215 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.24 CC(C)(C)OC(=O)CN LS40344 [0,2,0,0,0,0|1,0,0]=3 92 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.2 C1CNCC1N LS20700 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.2 C1CNC[C@@H]1O LS30060 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.2 C1CNC[C@@H]1O LS30061 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 C1CNC[C@H]1N LS30070 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.2 C1COCC1O LS21045 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|1,0,0]=3 105 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,1,0,0|1,0,0]=3 106 B6R1.3 COC[C@@H]1CO1 LS30113 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|1,0,0]=3 108 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,1,0,1|1,0,0]=3 111 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,1,0,0|1,0,0]=3 115 B8R0.28 CC(C)CCCC(C)N LS41468 [0,0,0,0,0,2|1,0,1]=4 116 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,2|2,0,0]=4