0 B5R0.2 C(CC#N)CCl LS40416 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 C(CCBr)CBr LS40910 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 C(CCF)CF LS40665 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 C(CCF)CO LS40657 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 C=CCCCBr LS20766 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 COCCC#N LS40792 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.2 COCCCBr LS40222 [0,0,0,0,0,0|2,1,0]=3 7 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|2,1,0]=4 10 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|1,1,0]=3 14 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|2,1,0]=4 15 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|2,1,0]=4 16 B6R0.4 B(CCCC)(O)O LS11153 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 C(CBr)NCCBr LS41604 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.6 C(CCF)CCF LS40666 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.6 C(CCO)CCF LS40658 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.6 C(CCl)NCCCl LS40789 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.6 C=CCCCCO LS40909 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.6 COCCCCCl LS00136 [0,1,0,0,0,0|1,1,0]=3 23 B6R1.1 C1CCNCC1 LS20630 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.1 C1CSCCN1 LS20061 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|2,1,0]=4 26 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|2,1,0]=4 31 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|2,1,0]=4 32 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|2,1,0]=4 33 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|2,1,0]=4 34 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|2,1,0]=4 35 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.3 COC[C@@H]1CO1 LS30113 [0,0,0,1,0,0|2,1,0]=4 38 B6R1.6 C1CC(C1)CBr LS40121 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.6 C1CC(C1)CN LS40614 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.6 C1CC(C1)CN LS40654 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.6 C1CC(C1)CO LS41574 [0,0,0,1,0,0|3,0,0]=4 42 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,1,0]=4 44 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,1,0]=4 45 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 46 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|1,1,0]=4 47 B5R0.1 B(CCC)(O)O LS11148 [1,1,0,0,0,0|1,1,0]=4 48 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|1,1,0]=4 49 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.1 CN(C)CCCl LS41162 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|1,1,0]=4 53 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,1,0]=4 55 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|1,1,0]=4 56 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|1,1,0]=4 57 B7R0.2 CCC(C)CC(C)N LS41471 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|1,1,0]=4 59 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|1,1,0]=4 60 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|1,1,0]=4 61 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|1,1,0]=4 62 B7R0.11 CCCS(=O)(=O)OC LS41895 [0,2,0,0,0,0|0,1,1]=4 63 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.6 CC(C)CCC(C)N LS41494 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.1 C(CCCF)CCF LS40667 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.1 C(CCCF)CCO LS40659 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.1 C(CCCO)CCN LS40173 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.1 C(CCCS)CCO LS40174 [0,2,0,0,0,0|2,0,0]=4 69 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,1]=4 70 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|2,0,0]=4 71 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,1,0]=4 72 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,1,0]=4 73 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,1,0]=4 74 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,1,0]=4 75 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,1,0]=4 76 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|0,1,0]=3 77 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|0,1,0]=3 78 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,1,0,0|1,1,0]=4 82 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,1,0,0|1,1,0]=4 83 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.3 C1CCN(CC1)N LS20693 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.3 C1CCN(CC1)N LS20694 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.3 C1CCS(=O)CC1 LS40520 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.3 C1CNCCC1Br LS20253 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 C1CNCCC1N LS20678 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.3 C1CNCCC1N LS20903 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.3 CN1CCNCC1 LS20947 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,1,0,0|1,1,0]=4 98 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|1,1,0]=4 99 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|1,1,0]=4 100 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,1,0,0|1,1,0]=4 102 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|1,1,0]=4 103 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|1,1,0]=4 104 B7R1.24 C1CNCCNC1 LS40494 [0,1,0,1,0,0|2,0,0]=4