0 B9R0.45 CCCCC#CCCCO 6762AB [0,0,0,0,0,0|0,0,3]=3 1 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 CCCCCCCNCC P111 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 CCCCCC\C=C/CO 7426AL [0,0,0,0,0,0|0,0,2]=2 4 B9R0.45 CCCC\C=C/CCCC 7453AL [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 CCCNCCCNCC 7924AC [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 CC\C=C\C\C=C\CCO 9173AL [0,0,0,0,0,0|0,0,2]=2 7 B9R0.45 CNCCCNCCCO 7933AC [0,0,0,0,0,0|2,0,1]=3 8 B9R0.45 NCCCCCCCCO 6900AL [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 C=CCCCCCCC 8130AF [1,0,0,0,0,0|1,0,2]=4 10 B8R0.4 C=CCCCCCCO 6892AL [1,0,0,0,0,0|0,0,3]=4 11 B8R0.4 CCC#CCCCCC 6141AL [1,0,0,0,0,0|0,0,2]=3 12 B8R0.4 CCCCCC#CCCl 4813AL [1,0,0,0,0,0|1,0,2]=4 13 B8R0.4 CCCCCCCCC 8936AJ [1,0,0,0,0,0|0,0,2]=3 14 B8R0.4 CCCCCCCSC 8022AL [1,0,0,0,0,0|1,0,2]=4 15 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|1,0,0]=2 16 B8R0.4 CCCNCCCNC 4534AE [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCC\C=C/CCCC 7450AL [1,0,0,0,0,0|1,0,0]=2 18 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|1,0,0]=2 19 B8R0.4 CNCCCCCCO 4396AE [1,0,0,0,0,0|1,0,1]=3 20 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,0,0,0,0|0,0,2]=3 21 B8R0.4 NCCCNCCCO 2647AE [1,0,0,0,0,0|2,0,1]=4 22 B8R0.4 OCCCNCCCO Y7497 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.1 CCCCCCC(O)CCC 6468AL [0,1,0,0,0,0|1,0,2]=4 24 B10R0.1 COCCCNC(=O)CCN 2344AD [0,1,0,0,0,0|3,0,0]=4 25 B10R0.4 CCCCCCOCC(=O)O 8556AB [0,1,0,0,0,0|1,0,2]=4 26 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,1,0,0,0,0|0,0,3]=4 27 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,1,0,0,0,0|0,0,1]=2 28 B10R0.71 C#CCCCCCCCCC 4971AL [0,1,0,0,0,0|1,0,2]=4 29 B10R0.71 C#CCCCCCCCCO X5978 [0,1,0,0,0,0|0,0,3]=4 30 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [0,1,0,0,0,0|1,0,2]=4 31 B10R0.71 CCCCCOCCCCC 5775AF [0,1,0,0,0,0|1,0,2]=4 32 B10R0.71 CCNCCCNCCCO 7934AC [0,1,0,0,0,0|1,0,1]=3 33 B10R0.71 CCNCCCNCCOC 7929AC [0,1,0,0,0,0|2,0,1]=4 34 B10R0.71 CNCCCNCCCOC 7939AC [0,1,0,0,0,0|2,0,1]=4 35 B10R0.71 COCCNCCOCCO AMTGC547 [0,1,0,0,0,0|2,0,1]=4 36 B10R0.71 NCCCCCCCCCN Z3509 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.71 OCCCCCCCCCS 0647AQ [0,1,0,0,0,0|0,0,2]=3 38 B10R0.71 OCCCCOCCCCO 0882AE [0,1,0,0,0,0|1,0,2]=4 39 B10R0.71 OCCNCCCNCCO 1272AA [0,1,0,0,0,0|2,0,1]=4 40 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,0,0,0,0|0,0,2]=3 41 B10R0.74 CCC\C=C\COC(=O)CC 8877AL [0,1,0,0,0,0|2,0,1]=4 42 B10R0.91 CCCCCC(=O)\C=C\C=O 1416AH [0,1,0,0,0,0|0,0,3]=4 43 B10R0.91 CCCCCC(O)CCCC 6764AL [0,1,0,0,0,0|1,0,2]=4 44 B10R1.4 CC1CCCCN1CCN 1969AC [0,0,0,1,0,0|2,0,1]=4 45 B10R1.4 CN1CCCCC1CCO 7565AB [0,0,0,1,0,0|1,0,2]=4 46 B10R1.17 BrCCCN1CCCCC1 4930AJ [0,0,0,1,0,0|2,0,1]=4 47 B10R1.17 NCCCC1CCCCC1 2801AF [0,0,0,1,0,0|1,0,2]=4 48 B10R1.17 OCCCC1CCCCN1 5623AJ [0,0,0,1,0,0|1,0,2]=4 49 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [0,0,0,1,0,0|1,0,2]=4 50 B10R1.21 CCCNCC1CCCO1 1152AC [0,0,0,1,0,0|1,0,2]=4 51 B10R1.21 CNCCCC1=CC=CO1 5597AD [0,0,0,1,0,0|1,0,2]=4 52 B10R1.21 NCCOCC1CCCC1 1619AF [0,0,0,1,0,0|2,0,1]=4 53 B10R1.21 OCCCCN1CCCC1 5779AC [0,0,0,1,0,0|1,0,2]=4 54 B10R1.21 OCCOCC1CCCO1 6047AE [0,0,0,1,0,0|2,0,1]=4 55 B10R1.85 ClCCN1CCCCCC1 3008AH [0,0,0,1,0,0|2,0,1]=4 56 B10R1.85 NCCC1CCCCCC1 3123AA [0,0,0,1,0,0|1,0,2]=4 57 B10R1.85 NCCN1CCCCCC1 W5245 [0,0,0,1,0,0|2,0,1]=4 58 B7R0.1 C=CCCCCCO 6859AL [2,0,0,0,0,0|0,0,2]=4 59 B7R0.1 CCC#CCCCC 7931AF [2,0,0,0,0,0|0,0,2]=4 60 B7R0.1 CCCCCC[Mg]Br 8700AJ [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 CCCCOCCCl 5574AL [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 CCCCOCCN 7133AE [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 CCCC\C=C\CO 9204AL [2,0,0,0,0,0|0,0,0]=2 64 B7R0.1 CCCNCCCO 2264AL [2,0,0,0,0,0|1,0,0]=3 65 B7R0.1 CCNCCOCC 2091AE [2,0,0,0,0,0|2,0,0]=4 66 B7R0.1 CC\C=C\CCCC 9221AL [2,0,0,0,0,0|0,0,0]=2 67 B7R0.1 C\C=C/CCCCC 7427AL [2,0,0,0,0,0|0,0,0]=2 68 B7R0.1 C\C=C\CCCCC 7960AF [2,0,0,0,0,0|0,0,0]=2 69 B7R0.1 OCCCNCCO 2316AL [2,0,0,0,0,0|2,0,0]=4 70 B7R0.1 OCC\C=C\CCO 0001AQ [2,0,0,0,0,0|1,0,0]=3 71 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [1,1,0,0,0,0|0,0,1]=3 72 B9R0.5 CCCCCC(C)CCC 6610AL [1,1,0,0,0,0|0,0,2]=4 73 B9R0.5 CCCCNC(=O)CCN 2211AD [1,1,0,0,0,0|2,0,0]=4 74 B9R0.5 CCCNCC(=O)OCC 0138AP [1,1,0,0,0,0|2,0,0]=4 75 B9R0.46 CCC(C)CCCCCO 4988AB [1,1,0,0,0,0|0,0,1]=3 76 B9R0.46 CCCCCC[C@H](O)CO N112 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.46 CCCCCNC(=O)CCl 0195AE [1,1,0,0,0,0|2,0,0]=4 78 B11R0.4 CCOCCCNC(=O)CCN 2262AD [0,2,0,0,0,0|2,0,0]=4 79 B11R0.155 CCCCCC(=O)C(=O)OCC X9779 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.40 CCCCCCCCC(O)CC 6165AL [0,2,0,0,0,0|0,0,2]=4 81 B11R0.148 CCCCCC\C=C\CC(=O)O 6032AL [0,2,0,0,0,0|0,0,1]=3 82 B11R0.148 CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|0,0,0]=2 83 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,2,0,0,0,0|0,0,2]=4 84 B11R0.3 CCCCCCCCOCCO 4872AH [0,2,0,0,0,0|0,0,2]=4 85 B11R0.3 CCNCCCNCCCOC 7940AC [0,2,0,0,0,0|1,0,1]=4 86 B11R0.3 CCNCCOCCOCCO AMTGC561 [0,2,0,0,0,0|1,0,1]=4 87 B11R0.3 NCCCCCCCCCCO 4707AL [0,2,0,0,0,0|0,0,2]=4 88 B11R0.11 CCCCC(=O)C(O)CCCC 6861AL [0,2,0,0,0,0|1,0,1]=4 89 B9R1.8 CCCC1CCCCC1 8884AL [1,0,0,1,0,0|0,0,2]=4 90 B9R1.8 CCCC1CCCNC1 3949AD [1,0,0,1,0,0|1,0,1]=4 91 B9R1.8 CNCC1CCCCO1 7421AH [1,0,0,1,0,0|1,0,1]=4 92 B9R1.8 CNCC1CNCCO1 4349AJ [1,0,0,1,0,0|2,0,0]=4 93 B9R1.8 CNCC1COCCO1 8753AD [1,0,0,1,0,0|2,0,0]=4 94 B9R1.8 COCC1CNCCO1 7830AA [1,0,0,1,0,0|2,0,0]=4 95 B9R1.8 COC[C@H]1CNCCO1 7915AA [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 ClCCC1CCCCC1 1553AA [1,0,0,1,0,0|1,0,1]=4 97 B9R1.8 NCCC1=CCCCC1 X6206 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.8 NCCC1CCCCO1 W6097 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.8 OCCC1CCOCC1 W6406 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.8 OCC[C@@H]1CCCCN1 0871AA [1,0,0,1,0,0|1,0,1]=4 101 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.8 OCC[C@H]1CCCCN1 0559AC [1,0,0,1,0,0|1,0,1]=4 103 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,1,0,0|0,0,2]=4 104 B9R1.12 CCNCC1CCCO1 8649AE [1,0,0,1,0,0|1,0,1]=4 105 B9R1.12 NCCOC1CCCC1 5277AJ [1,0,0,1,0,0|2,0,0]=4 106 B9R1.12 NCCOC1CCCC1 5278AJ [1,0,0,1,0,0|2,0,0]=4 107 B9R1.12 OCCOC1CCCC1 V3255 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.14 CCN1CCCC1CO 4114AB [1,0,0,1,0,0|1,0,1]=4 109 B9R1.15 CC1CCCC\C1=N/O 8921AC [1,0,0,1,0,0|1,0,1]=4 110 B9R1.15 CCC1CCCCC1C 4843AL [1,0,0,1,0,0|0,0,2]=4 111 B9R1.15 CCC1CCCCC1O 5619AL [1,0,0,1,0,0|0,0,1]=3 112 B9R1.15 CN1CCCC[C@H]1CO 6422AA [1,0,0,1,0,0|1,0,1]=4 113 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.15 CN[C@H]1CCCC[C@@H]1O 2214AB [1,0,0,1,0,0|1,0,1]=4 115 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [1,0,0,1,0,0|1,0,1]=4 117 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [1,0,0,1,0,0|1,0,1]=4 118 B9R1.33 CN1CCC[C@@H]1CCO 8955AH [1,0,0,1,0,0|1,0,1]=4 119 B9R1.50 NC1CCCCCCC1 7979AF [1,0,0,1,0,0|1,0,1]=4 120 B9R1.89 OCC1CNCCCO1 5288AJ [1,0,0,1,0,0|2,0,0]=4 121 B9R1.89 OCC1CNCCCO1 5289AJ [1,0,0,1,0,0|2,0,0]=4 122 B9R1.89 ONC1=NCCCCC1 6477AD [1,0,0,1,0,0|2,0,0]=4 123 B11R1.4 CCCCOCC1=CC=CO1 Y1589 [0,1,0,1,0,0|0,0,2]=4 124 B11R1.4 OCCC#CCN1CCCC1 2820AL [0,1,0,1,0,0|0,0,2]=4 125 B11R1.30 NCCC(=O)NC1CCCC1 2335AD [0,1,0,1,0,0|2,0,0]=4 126 B11R1.101 O=C1CCCCCCCCC1 7516AA [0,1,0,1,0,0|1,0,1]=4 127 B11R1.28 OCCCCC1CCCCN1 5949AJ [0,1,0,1,0,0|0,0,2]=4 128 B11R1.28 OCCCCN1CCCCC1 8682AC [0,1,0,1,0,0|0,0,2]=4 129 B11R1.40 CC(CO)CN1CCCCC1 2126AL [0,1,0,1,0,0|1,0,1]=4 130 B11R1.40 N[C@H](CO)CC1CCCCC1 Q934 [0,1,0,1,0,0|0,0,2]=4 131 B11R1.222 CC(CO)N1CCCCC1C 0631AE [0,1,0,1,0,0|1,0,1]=4 132 B11R1.29 O=C(NCCO)C1CCCN1 2824AD [0,1,0,1,0,0|2,0,0]=4 133 B11R2.20 C1CC[C@H]2OCCN[C@@H]2C1 9101AE [0,0,0,2,0,0|1,0,1]=4 134 B11R2.1098 OCC12CCCC1CNC2 3759AE [0,0,0,2,0,0|1,0,1]=4 135 B11R2.2 C1=C(N2CCCC2)CCC1 1098AC [0,0,0,2,0,0|2,0,0]=4