0 B5R0.1 B(CCC)(O)O LS11148 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C(C#N)C(=O)N LS41191 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC#CC(=O)O LS40078 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|0,0,3]=4 14 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.2 CC(=O)NC(=N)N LS40272 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|0,0,2]=3 20 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|0,0,2]=3 21 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,1,0,0,0,0|0,0,2]=3 22 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|0,0,1]=2 25 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|0,0,2]=3 26 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|0,0,2]=3 28 B6R0.3 COC(=O)C(=C)F LS41928 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.4 C=CCCC(=O)O LS41473 [0,1,0,0,0,0|0,0,2]=3 31 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|0,0,2]=3 32 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|1,1,1]=4 37 B6R1.2 c1c[nH]nc1N LS20237 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 c1cc(sc1)Br LS20644 [0,0,0,1,0,0|1,1,1]=4 39 B6R1.2 c1cc(sc1)Cl LS21132 [0,0,0,1,0,0|1,1,1]=4 40 B6R1.2 c1cc(sc1)S LS21100 [0,0,0,1,0,0|0,2,1]=4 41 B6R1.2 c1cnsc1N LS20872 [0,0,0,1,0,0|2,1,0]=4 42 B6R1.2 c1coc(=O)o1 LS40378 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.2 c1cocc1Br LS20289 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 c1conc1N LS20282 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.2 c1cscc1Br LS20645 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|1,0,2]=4 48 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|0,0,2]=3 49 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,0,0]=2 52 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|0,0,1]=3 53 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|0,0,1]=3 54 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|0,0,1]=3 55 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|1,0,1]=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|1,0,1]=4 58 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.5 B(C(=C)C)(O)O LS11152 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|0,0,0]=2 69 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|0,0,1]=3 71 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|0,0,1]=3 72 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|0,0,1]=3 73 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|0,0,1]=3 74 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|0,0,1]=3 76 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|0,0,1]=3 79 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|0,0,2]=4 80 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|0,0,2]=4 81 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|0,0,2]=4 82 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|0,0,2]=4 83 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,2,0,0,0,0|0,0,0]=2 84 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|0,0,2]=4 85 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|0,0,2]=4 86 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|0,0,2]=4 89 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,2,0,0,0,0|0,0,0]=2 91 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|0,0,1]=3 95 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,1]=4 96 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 97 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,1,0,0|2,0,0]=4 98 B5R1.1 c1cnoc1 LS21145 [1,0,0,1,0,0|1,0,0]=3 99 B5R1.1 c1cnsc1 LS21251 [1,0,0,1,0,0|1,1,0]=4 100 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.1 c1cc(sc1)C=O LS40350 [0,1,0,1,0,0|0,1,1]=4 102 B7R1.1 c1cc(sc1)CO LS20642 [0,1,0,1,0,0|0,1,1]=4 103 B7R1.1 c1cscc1C=O LS20646 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|0,0,2]=4 107 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|0,0,2]=4 108 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|0,0,2]=4 109 B7R1.2 Cc1cc(cs1)Br LS20656 [0,1,0,1,0,0|1,1,0]=4 110 B7R1.2 Cc1cc(no1)N LS21146 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.2 Cc1ccc(s1)Br LS20655 [0,1,0,1,0,0|1,1,0]=4 112 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,1,0,0|1,1,0]=4 113 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,1,0,1,0,0|1,1,0]=4 114 B7R1.2 Cc1ccn(n1)C LS20249 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.2 Cc1cnc(s1)N LS20937 [0,1,0,1,0,0|1,1,0]=4 116 B7R1.2 Cn1ccc(n1)N LS20251 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|0,0,2]=4 119 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.3 c1cnccc1O LS21099 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|0,0,2]=4 123 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|0,0,2]=4 124 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,1,0,1,0,0|0,0,2]=4 127 B7R1.14 C1C=CS(=O)(=O)O1 LS40134 [0,1,0,1,0,0|1,0,0]=3