0 B6R0.3 B(C(C)CC)(O)O LS11154 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 CCC(=O)C(=O)O LS41883 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,0,0,0,0,0|2,0,0]=2 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|0,1,0]=2 10 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 C(C(CO)N)O LS41161 [1,0,0,0,0,0|0,1,1]=3 15 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 C([C@@H](CO)O)N LS30120 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 C([C@H](CCl)O)O LS30055 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 C([C@H](CO)O)N LS30267 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 CCC(CO)N LS40333 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CC[C@@H](CO)O LS30248 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CC[C@H](CO)O LS30249 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.5 B(C(C)C)(O)O LS11150 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,0,0,0,0,0|1,1,1]=4 24 B5R0.5 CC(=O)C(=O)O LS41153 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.5 CC(C(=O)O)Br LS40410 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.13 CC(C)(CN)C(=O)N LS40458 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,0,0|1,1,1]=4 39 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,0,0,1,0,0|1,0,0]=2 44 B4R0.1 B(CC)(O)O LS11146 [2,0,0,0,0,0|1,0,1]=4 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|1,0,1]=4 47 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 C[C@@H](CCl)O LS30025 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 C[C@@H](CO)Cl LS30257 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 C[C@@H](CO)N LS30252 [2,0,0,0,0,0|0,0,1]=3 53 B4R0.1 C[C@@H](CO)O LS30238 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 C[C@H](CCl)O LS30026 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 C[C@H](CO)Cl LS30085 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 C[C@H](CO)N LS30253 [2,0,0,0,0,0|0,0,1]=3 57 B4R0.1 C[C@H](CO)O LS30239 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.2 C(CO)CF LS40656 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,1,0]=4 61 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 COC(=N)CCCl LS40140 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.4 C=CCCC(=O)O LS41473 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.7 C(=O)(C(Br)(Br)Br)O LS41232 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.7 CC(C)(C(=O)O)N LS41573 [1,1,0,0,0,0|0,0,0]=2 69 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,1,0,0,0,1|2,0,0]=4 70 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,1,0,0,0,1|2,0,0]=4 71 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,1,0,0,0,1|2,0,0]=4 72 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,2,0,0,0,0|0,0,1]=3 74 B8R0.12 CC(C)(CC=C)C(=O)O LS40113 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.13 CC(C)(CO)C(=O)OC LS41949 [0,2,0,0,0,0|1,1,0]=4 76 B8R0.27 [C@@H](C(=O)O)(C(F)(F)F)N LS41961 [0,2,0,0,0,0|1,0,0]=3 77 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|1,0,0]=3 78 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,1,0]=4 80 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|1,0,0]=3 81 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.4 C1CNC(=O)CC1N LS20121 [0,0,0,1,0,1|2,0,0]=4 85 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.7 C1CC(OC1)C(=O)O LS21156 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.7 C1CNCC1C(=O)O LS20048 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,1,0,1,0,0|1,1,0]=4 91 B8R1.78 C1CC(C1)(C(=O)O)N LS40291 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.78 CC1(COC1)C(=O)O LS40302 [0,1,0,1,0,0|1,1,0]=4