0 B5R1.1 C1C=CCN1 LS20566 [0,0,0,0,0,0|0,0,2]=2 1 B5R1.1 c1c[nH]nc1 LS21032 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.2 C1CC(=O)OC1 LS40356 [0,1,0,0,0,0|1,0,1]=3 3 B6R1.2 C1CNCC1=O LS20898 [0,1,0,0,0,0|0,0,1]=2 4 B6R1.2 C1CNCC1N LS20700 [0,1,0,0,0,0|0,0,0]=1 5 B6R1.2 C1CNC[C@@H]1O LS30060 [0,1,0,0,0,0|0,0,0]=1 6 B6R1.2 C1CNC[C@@H]1O LS30061 [0,1,0,0,0,0|0,0,0]=1 7 B6R1.2 C1CNC[C@H]1N LS30070 [0,1,0,0,0,0|0,0,0]=1 8 B6R1.2 C1COCC1=O LS21051 [0,1,0,0,0,0|1,0,1]=3 9 B6R1.2 C1COCC1O LS21045 [0,1,0,0,0,0|1,0,0]=2 10 B6R1.2 C1COC[C@@H]1N LS30001 [0,1,0,0,0,0|1,0,0]=2 11 B6R1.2 C1COC[C@@H]1O LS30063 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 C1COC[C@H]1O LS30020 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 C1COC[C@H]1O LS30064 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 C1CSCC1=O LS40268 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 CC1=NCCC1 LS20850 [0,1,0,0,0,0|0,0,2]=3 16 B4R0.2 C(CF)CF LS40664 [0,0,1,0,0,0|2,0,0]=3 17 B4R0.2 C(CN)CBr LS00114 [0,0,1,0,0,0|1,0,0]=2 18 B4R0.2 C(CO)CF LS40656 [0,0,1,0,0,0|2,0,0]=3 19 B4R0.2 C=CCCBr LS20765 [0,0,1,0,0,0|1,0,2]=4 20 B4R0.2 C=CCCO LS40761 [0,0,1,0,0,0|1,0,2]=4 21 B4R0.2 CNCCO LS40382 [0,0,1,0,0,0|1,0,0]=2 22 B4R0.2 COCCBr LS40281 [0,0,1,0,0,0|2,0,0]=3 23 B6R1.1 C1CCNCC1 LS20630 [0,0,0,0,0,1|0,0,0]=1 24 B6R1.1 C1CSCCN1 LS20061 [0,0,0,0,0,1|0,0,0]=1 25 B3R0.1 C(CCl)N LS40418 [1,0,1,0,0,0|1,0,0]=3 26 B3R0.1 C(CF)O LS40655 [1,0,1,0,0,0|2,0,0]=4 27 B3R0.1 C(CO)N LS41686 [1,0,1,0,0,0|1,0,0]=3 28 B3R0.1 CCNN LS40292 [1,0,1,0,0,0|1,0,0]=3 29 B3R0.1 CNOC LS41340 [1,0,1,0,0,0|1,0,0]=3 30 B5R0.1 B(CCC)(O)O LS11148 [0,1,1,0,0,0|2,0,0]=4 31 B5R0.1 CC(CCO)N LS41893 [0,1,1,0,0,0|1,0,0]=3 32 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,1,0,0,0|1,0,0]=3 33 B5R0.1 CCC[C@H](C)O LS30258 [0,1,1,0,0,0|1,0,0]=3 34 B5R0.1 CN(C)CCCl LS41162 [0,1,1,0,0,0|1,0,0]=3 35 B5R0.1 C[C@@H](CCO)N LS30207 [0,1,1,0,0,0|1,0,0]=3 36 B5R0.1 C[C@H](CCO)N LS30127 [0,1,1,0,0,0|1,0,0]=3 37 B5R0.2 C(CC#N)CCl LS40416 [0,1,1,0,0,0|0,0,2]=4 38 B5R0.2 C(CCBr)CBr LS40910 [0,1,1,0,0,0|1,0,0]=3 39 B5R0.2 C(CCF)CF LS40665 [0,1,1,0,0,0|1,0,0]=3 40 B5R0.2 C(CCF)CO LS40657 [0,1,1,0,0,0|1,0,0]=3 41 B5R0.2 C=CCCCBr LS20766 [0,1,1,0,0,0|1,0,1]=4 42 B5R0.2 COCCC#N LS40792 [0,1,1,0,0,0|0,0,2]=4 43 B5R0.2 COCCCBr LS40222 [0,1,1,0,0,0|1,0,0]=3 44 B5R0.3 C(C(CO)N)O LS41161 [0,1,1,0,0,0|2,0,0]=4 45 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,1,1,0,0,0|1,0,0]=3 46 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,1,1,0,0,0|2,0,0]=4 47 B5R0.3 C([C@@H](CO)O)N LS30120 [0,1,1,0,0,0|1,0,0]=3 48 B5R0.3 C([C@H](CCl)O)O LS30055 [0,1,1,0,0,0|2,0,0]=4 49 B5R0.3 C([C@H](CO)O)N LS30267 [0,1,1,0,0,0|1,0,0]=3 50 B5R0.3 CCC(CO)N LS40333 [0,1,1,0,0,0|1,0,0]=3 51 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,1,0,0,0|1,0,0]=3 52 B5R0.3 CC[C@H](CO)O LS30249 [0,1,1,0,0,0|1,0,0]=3 53 B5R1.2 C1C(=O)CO1 LS41911 [0,1,0,0,1,0|1,0,1]=4 54 B5R1.2 C1C(=O)CS1 LS40394 [0,1,0,0,1,0|1,0,1]=4 55 B5R1.2 C1C(CN1)O LS40392 [0,1,0,0,1,0|0,0,0]=2 56 B5R1.2 C1C(CO1)I LS41126 [0,1,0,0,1,0|1,0,0]=3 57 B5R1.2 C1CC(=O)C1 LS40231 [0,1,0,0,1,0|0,0,1]=3 58 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,0,0,1|0,0,0]=2 59 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,0,0,1|0,0,0]=2 60 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,0,0,1|0,0,0]=2 61 B7R1.3 C1CCN(CC1)N LS20693 [0,1,0,0,0,1|0,0,0]=2 62 B7R1.3 C1CCN(CC1)N LS20694 [0,1,0,0,0,1|0,0,0]=2 63 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,0,0,1|1,0,0]=3 64 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,0,0,1|0,0,1]=3 65 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,0,0,1|0,0,0]=2 66 B7R1.3 C1CNCCC1N LS20678 [0,1,0,0,0,1|0,0,0]=2 67 B7R1.3 C1CNCCC1N LS20903 [0,1,0,0,0,1|0,0,0]=2 68 B7R1.3 C1CNCCC1O LS20318 [0,1,0,0,0,1|0,0,0]=2 69 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,0,0,1|1,0,1]=4 70 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,0,0,1|0,0,1]=3 71 B7R1.3 C1COCCC1=O LS40242 [0,1,0,0,0,1|1,0,0]=3 72 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,0,0,1|1,0,0]=3 73 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,0,0,1|0,0,0]=2 74 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,0,0,1|0,0,0]=2 75 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,0,0,1|0,0,0]=2 76 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,0,0,1|0,0,0]=2 77 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,0,0,1|0,0,0]=2 78 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,0,0,1|0,0,0]=2 79 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,0,0,1|0,0,0]=2 80 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,0,0,1|0,0,0]=2 81 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,0,0,1|0,0,0]=2 82 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,0,0,1|0,0,0]=2 83 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,0,0,1|0,0,0]=2 84 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,0,0,1|0,0,0]=2 85 B7R1.1 C1C=CCC1CO LS40472 [0,2,0,0,0,0|1,0,1]=4 86 B7R1.1 C1CCC(C1)C=O LS41696 [0,2,0,0,0,0|1,0,0]=3 87 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,2,0,0,0,0|0,0,0]=2 88 B7R1.1 C1CNC[C@H]1CO LS30146 [0,2,0,0,0,0|0,0,0]=2 89 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,2,0,0,0,0|1,0,0]=3 90 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,2,0,0,0,0|1,0,0]=3 91 B7R1.2 C1CC(=O)CC1=O LS41637 [0,2,0,0,0,0|1,0,1]=4 92 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,2,0,0,0,0|0,0,1]=3 93 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,2,0,0,0,0|1,0,1]=4 94 B7R1.4 C1COC(=O)C1Br LS40518 [0,2,0,0,0,0|1,0,1]=4 95 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,2,0,0,0,0|2,0,0]=4 96 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,0,1,1,0,0|2,0,0]=4 97 B5R1.3 C1[C@@H](O1)CO LS30048 [0,0,1,1,0,0|2,0,0]=4 98 B5R1.3 C1[C@H](O1)CO LS30049 [0,0,1,1,0,0|2,0,0]=4 99 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,1,1,0,0|1,0,0]=3 100 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,1,1,0,0|1,0,0]=3 101 B7R1.24 C1CNCCNC1 LS40494 [0,0,0,0,0,2|0,0,0]=2