0 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 C1CNCC1=O LS20898 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 C1CNCC1N LS20700 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,0,0,0|1,0,2]=3 4 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C1COCC1=O LS21051 [0,0,0,0,0,0|0,1,0]=1 7 B6R1.2 C1COCC1O LS21045 [0,0,0,0,0,0|0,1,2]=3 8 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,0,0,0|1,1,1]=3 9 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,0,0,0|0,1,2]=3 10 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,0,0,0|0,1,2]=3 11 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,0,0,0|0,1,2]=3 12 B6R1.2 C1CSCC1=O LS40268 [0,0,0,0,0,0|0,0,0]=0 13 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 c1c(ncs1)Cl LS21055 [0,0,0,0,0,0|2,0,2]=4 15 B6R1.2 c1coc(=O)o1 LS40378 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 c1cscc1Br LS20645 [0,0,0,0,0,0|1,0,3]=4 17 B5R1.1 C1C=CCN1 LS20566 [1,0,0,0,0,0|1,0,1]=3 18 B5R1.1 c1cnsc1 LS21251 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,0,0,0|1,0,2]=4 22 B7R1.1 c1c(ncs1)C=O LS21128 [0,1,0,0,0,0|1,0,2]=4 23 B7R1.1 c1cscc1C=O LS20646 [0,1,0,0,0,0|0,0,3]=4 24 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,0,0,0|3,0,0]=4 30 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.1 C(C#N)C(=O)N LS41191 [0,0,1,0,0,0|2,0,1]=4 33 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,1,0,0,0|2,0,0]=3 34 B5R0.1 C(CO)C(=O)O LS40008 [0,0,1,0,0,0|1,1,0]=3 35 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,0,1,0,0,0|2,1,0]=4 36 B5R0.1 CC#CC(=O)O LS40078 [0,0,1,0,0,0|2,0,1]=4 37 B5R0.1 CC(CCO)N LS41893 [0,0,1,0,0,0|1,1,1]=4 38 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,1,0,0,0|1,0,2]=4 39 B5R0.1 CCC[C@H](C)O LS30258 [0,0,1,0,0,0|1,0,2]=4 40 B5R0.1 CN(C)CCCl LS41162 [0,0,1,0,0,0|3,0,0]=4 41 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,1,0,0,0|1,1,1]=4 42 B5R0.1 C[C@H](CCO)N LS30127 [0,0,1,0,0,0|1,1,1]=4 43 B5R0.2 C=CCCCBr LS20766 [0,0,1,0,0,0|3,0,0]=4 44 B5R0.2 COCCC#N LS40792 [0,0,1,0,0,0|1,1,1]=4 45 B5R0.2 COCCCBr LS40222 [0,0,1,0,0,0|1,1,1]=4 46 B5R0.3 C(C(=O)CO)O LS41177 [0,0,1,0,0,0|1,1,0]=3 47 B5R0.3 C=C(CBr)CBr LS40790 [0,0,1,0,0,0|3,0,0]=4 48 B5R0.3 C=C(CO)CO LS40793 [0,0,1,0,0,0|2,1,0]=4 49 B5R0.3 CCC(CO)N LS40333 [0,0,1,0,0,0|1,1,1]=4 50 B5R0.3 CC[C@@H](CO)O LS30248 [0,0,1,0,0,0|0,1,2]=4 51 B5R0.3 CC[C@H](CO)O LS30249 [0,0,1,0,0,0|0,1,2]=4 52 B5R0.3 COC(=O)C#C LS40367 [0,0,1,0,0,0|2,0,1]=4 53 B5R0.3 COC(=O)CBr LS40562 [0,0,1,0,0,0|2,0,0]=3 54 B5R0.3 COC(=O)CF LS40581 [0,0,1,0,0,0|2,0,0]=3 55 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,0,1,0|0,1,0]=2 56 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,0,1,0|0,0,0]=1 57 B5R1.2 C1C(CN1)O LS40392 [0,0,0,0,1,0|1,0,2]=4 58 B5R1.2 C1C(CO1)I LS41126 [0,0,0,0,1,0|1,1,1]=4 59 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,0,1,0|0,0,0]=1 60 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,0,0,1|1,0,0]=2 61 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,0,0,1|1,0,0]=2 62 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,0,0,1|1,0,2]=4 63 B7R1.3 C1CCN(CC1)N LS20693 [0,0,0,0,0,1|3,0,0]=4 64 B7R1.3 C1CCN(CC1)N LS20694 [0,0,0,0,0,1|3,0,0]=4 65 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,0,0,1|2,0,0]=3 66 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,0,0,1|1,0,0]=2 67 B7R1.3 C1CNCCC1Br LS20253 [0,0,0,0,0,1|2,0,1]=4 68 B7R1.3 C1CNCCC1N LS20678 [0,0,0,0,0,1|2,0,1]=4 69 B7R1.3 C1CNCCC1N LS20903 [0,0,0,0,0,1|2,0,1]=4 70 B7R1.3 C1CNCCC1O LS20318 [0,0,0,0,0,1|1,0,2]=4 71 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,0,0,1|0,1,0]=2 72 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,0,0,1|0,1,0]=2 73 B7R1.3 C1COCCC1=O LS40242 [0,0,0,0,0,1|0,1,0]=2 74 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,0,0,1|0,0,0]=1 75 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,0,0,1|2,0,1]=4 76 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,0,0,1|2,0,1]=4 77 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,0,0,1|2,0,1]=4 78 B7R1.3 CN1CCNCC1 LS20947 [0,0,0,0,0,1|3,0,0]=4 79 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,0,0,0,0,1|2,0,1]=4 80 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,0,0,0,0,1|2,0,1]=4 81 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,0,0,0,0,1|1,1,1]=4 82 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,0,0,0,0,1|1,1,1]=4 83 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,0,0,0,0,1|2,0,1]=4 84 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,0,0,0,0,1|2,0,1]=4 85 B7R1.3 C[C@H]1COCCN1 LS30012 [0,0,0,0,0,1|1,1,1]=4 86 B7R1.3 C[C@H]1COCCN1 LS30156 [0,0,0,0,0,1|1,1,1]=4 87 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,1,0,0,0|2,0,0]=4 88 B4R0.1 C(C(=O)N)I LS41576 [1,0,1,0,0,0|2,0,0]=4 89 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,1,0,0,0|1,1,0]=4 90 B4R0.1 CC(=C)CO LS40522 [1,0,1,0,0,0|1,1,0]=4 91 B4R0.1 CC[C@@H](C)O LS30261 [1,0,1,0,0,0|0,0,2]=4 92 B4R0.1 CC[C@H](C)O LS30260 [1,0,1,0,0,0|0,0,2]=4 93 B4R0.2 C=CCCBr LS20765 [1,0,1,0,0,0|1,0,1]=4 94 B4R0.2 C=CCCO LS40761 [1,0,1,0,0,0|0,1,1]=4 95 B4R0.2 CNCCO LS40382 [1,0,1,0,0,0|1,0,1]=4 96 B4R0.2 COCCBr LS40281 [1,0,1,0,0,0|1,1,0]=4 97 B6R0.1 CCOC(=O)CBr LS40563 [0,1,1,0,0,0|2,0,0]=4 98 B6R0.1 CCOC(=O)CF LS40582 [0,1,1,0,0,0|2,0,0]=4 99 B6R0.1 CCOC(=O)OC LS41158 [0,1,1,0,0,0|2,0,0]=4 100 B6R0.1 CNC(=O)CC#N LS41677 [0,1,1,0,0,0|1,0,1]=4 101 B6R0.1 COC(=N)CCCl LS40140 [0,1,1,0,0,0|2,0,0]=4 102 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,1,0,0,0|2,0,0]=4 103 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,1,0,0,0|2,0,0]=4 104 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,1,0,0,0|1,1,0]=4 105 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,1,0,0,0|2,0,0]=4 106 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,1,0,0,0|2,0,0]=4 107 B6R0.4 C=CCCC(=O)O LS41473 [0,1,1,0,0,0|2,0,0]=4 108 B6R0.5 CS(=O)(=O)CCN LS40305 [0,1,1,0,0,0|2,0,0]=4 109 B6R0.6 C=CCCCCO LS40909 [0,1,1,0,0,0|2,0,0]=4 110 B6R1.6 C1CC(C1)CBr LS40121 [0,1,0,0,1,0|1,0,1]=4 111 B6R1.6 C1CC(C1)CN LS40614 [0,1,0,0,1,0|1,0,1]=4 112 B6R1.6 C1CC(C1)CN LS40654 [0,1,0,0,1,0|1,0,1]=4 113 B6R1.6 C1CC(C1)CO LS41574 [0,1,0,0,1,0|0,0,2]=4 114 B8R1.2 C1CCC(CC1)C=O LS40273 [0,1,0,0,0,1|1,0,1]=4 115 B8R1.2 C1CCN(CC1)C=O LS20491 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,1,0,0,0,1|1,0,0]=3 117 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,0,0,1|1,0,0]=3 118 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,0,0,1|1,0,0]=3 119 B8R1.72 C1CS(=O)(=O)CCN1 LS00030 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.7 C1CNCC1C(=O)O LS20048 [0,2,0,0,0,0|1,0,1]=4 121 B8R1.50 C1CC(=O)N(C1=O)I LS00001 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.50 C1CC(=O)N(C1=O)O LS00022 [0,2,0,0,0,0|2,0,0]=4 123 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,1,1,0,0|2,0,0]=4 124 B6R1.11 C1CC1C(=O)N LS40035 [0,0,1,1,0,0|2,0,0]=4 125 B6R1.11 C1CC1C(=O)O LS41647 [0,0,1,1,0,0|2,0,0]=4 126 B6R1.1 C1CSCCN1 LS20061 [0,0,1,1,0,0|1,0,1]=4 127 B4R1.2 CC1=CC1 LS00107 [0,0,0,0,2,0|1,0,1]=4