0 B5R0.5 B(C(=C)C)(O)O LS11152 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,0,3]=4 23 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,0,3]=4 24 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.3 COC(=O)C(=C)F LS41928 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,1,0,0,0,0|2,0,1]=4 33 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|2,0,1]=4 36 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,0,1|2,0,0]=3 37 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,1|2,0,1]=4 38 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,1|2,0,1]=4 39 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 41 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,0,1]=3 43 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|0,0,1]=3 44 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|0,0,1]=3 45 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|0,0,1]=3 46 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 47 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.2 [O-]I(=O)=O LS41974 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.2 [O-]I(=O)=O LS41976 [2,0,0,0,0,0|2,0,0]=4 51 B3R0.2 [O-]P(=O)=O LS60296 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.1 CC#CC(=O)O LS40078 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|0,0,2]=4 56 B5R0.3 COC(=O)C#C LS40367 [1,1,0,0,0,0|0,0,2]=4 57 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.4 CNS(=O)(=O)C LS40122 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,1|1,0,1]=4 61 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,1|1,0,0]=3 62 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,1|1,0,1]=4 63 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,1|0,0,2]=4 64 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,1|1,0,1]=4 65 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,1|0,0,2]=4 66 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,1|1,0,0]=3 67 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,0,1|2,0,0]=4 68 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|0,0,2]=4 69 B7R0.5 CN(C)C(=O)CC#N LS41676 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.14 CC(C)(C(=O)OC)N LS40067 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.14 CC(C)(C(=O)OC)O LS40349 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.14 CC(C)(C)C(=O)CCl LS40447 [0,2,0,0,0,0|1,0,1]=4 73 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|0,0,2]=4 74 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|0,1,1]=4 75 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,1]=3 76 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,1|0,0,0]=2 77 B7R1.2 Cc1ccc(s1)C LS20641 [0,0,0,1,0,1|2,0,0]=4 78 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,1,0,1,0,0|2,0,0]=4 80 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,2|2,0,0]=4 81 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,0,0,0,0,2|2,0,0]=4 82 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,2|2,0,0]=4 83 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,0,2|2,0,0]=4 84 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,2|1,0,0]=3