0 B9R0.45 C#CCCCCCCCO X5979 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.45 C=CCCCCCCCO 6910AL [0,0,0,0,0,0|0,0,4]=4 2 B9R0.45 CCC#CCCCCCC 5747AF [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 CCCCCC#CCCO V0610 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.45 CCCCCCC#CCO V0621 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.45 CCCCCCCCC#N 8127AF [0,0,0,0,0,0|1,0,3]=4 6 B9R0.45 CCCCCCCCCS Q791 [0,0,0,0,0,0|0,1,2]=3 7 B9R0.45 CCCCCC\C=C/CO 7426AL [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 CCCCC\C=C/CCO 7441AL [0,0,0,0,0,0|0,0,4]=4 9 B9R0.45 CCCNCCNCCC 5593AD [0,0,0,0,0,0|3,0,1]=4 10 B9R0.45 ICCCCCCCCI 4683AL [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 OCCCCCCCCCl Q040 [0,0,0,0,0,0|1,0,2]=3 12 B9R0.45 SCCCCCCCCS 7639AJ [0,0,0,0,0,0|1,1,2]=4 13 B8R0.4 CCCCCCCCF V6056 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|1,0,1]=3 15 B8R0.4 CCCCNCCCC W7485 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.4 CCCCOCCCN P793 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCCC\C=C/CCO 7442AL [1,0,0,0,0,0|0,0,3]=4 18 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CC\C=C/CCCCO 7454AL [1,0,0,0,0,0|0,0,0]=1 20 B8R0.4 ClCCCCCCCBr 4782AL [1,0,0,0,0,0|2,0,1]=4 21 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,1,0,0,0,0|1,0,1]=3 22 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,1,0,0,0,0|2,0,1]=4 23 B10R0.4 CC(C)CCCCCCCO 0582AC [0,1,0,0,0,0|0,0,2]=3 24 B10R0.4 CCCCCCCCC(C)C Z5044 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.4 CCCCCCCCC(C)O 5773AF [0,1,0,0,0,0|0,0,2]=3 26 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,0,0,0,0|1,0,1]=3 27 B10R0.71 CCC#CCCCCCCC 6167AL [0,1,0,0,0,0|1,0,2]=4 28 B10R0.71 CCC#CCCCCCCCl 4710AL [0,1,0,0,0,0|1,0,2]=4 29 B10R0.71 CCCCCCCC#CCO V0616 [0,1,0,0,0,0|0,0,3]=4 30 B10R0.71 CCCCCCCCCCC U203 [0,1,0,0,0,0|1,0,2]=4 31 B10R0.71 CCCCCNCCCCC 7593AL [0,1,0,0,0,0|1,0,2]=4 32 B10R0.71 CCCCCSCCCCC 5783AF [0,1,0,0,0,0|1,0,2]=4 33 B10R0.71 CCCCC\C=C/CCCO 7446AL [0,1,0,0,0,0|0,0,3]=4 34 B10R0.71 CCCC\C=C\CCCCO 9236AL [0,1,0,0,0,0|0,0,2]=3 35 B10R0.71 ClCCCCCCCCCCl Z5156 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.71 OCCCCCCCCCCl 7136AB [0,1,0,0,0,0|0,0,2]=3 37 B10R0.71 OCCCCNCCCCO 2416AC [0,1,0,0,0,0|1,0,2]=4 38 B10R0.71 OCCSCCCSCCO 5964AL [0,1,0,0,0,0|2,0,1]=4 39 B10R0.74 CCCCCCCC(O)CC 6031AL [0,1,0,0,0,0|1,0,2]=4 40 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,0,0,0,0|0,0,2]=3 41 B10R0.74 COC(=O)CCCCCCBr W6840 [0,1,0,0,0,0|2,0,1]=4 42 B10R0.74 COC(=O)CCCCCCN W3908 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.91 CCCCCC(O)CCCC 6764AL [0,1,0,0,0,0|1,0,2]=4 44 B10R1.4 CCCC1CCCCC1O 5770AL [0,0,0,1,0,0|0,0,2]=3 45 B10R1.17 CCCCC1CCNCC1 W5826 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.17 ClCCOC1CCCCO1 5697AE [0,0,0,1,0,0|2,0,1]=4 47 B10R1.17 NCCCC1CCCCC1 5332AH [0,0,0,1,0,0|1,0,2]=4 48 B10R1.17 OCCCC1CCNCC1 0904AC [0,0,0,1,0,0|1,0,1]=3 49 B10R1.17 OCCCC1CCNCC1 7796AA [0,0,0,1,0,0|1,0,1]=3 50 B10R1.20 OC[C@@H]1CCCC[C@H]1CO X6176 [0,0,0,1,0,0|1,0,2]=4 51 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [0,0,0,1,0,0|1,0,2]=4 52 B10R1.20 OC[C@H]1CCCC[C@@H]1CO X6158 [0,0,0,1,0,0|1,0,2]=4 53 B10R1.21 CCCNCC1CCCO1 1152AC [0,0,0,1,0,0|1,0,1]=3 54 B10R1.85 CCNC1CCCCCC1 3947AE [0,0,0,1,0,0|2,0,1]=4 55 B10R1.85 NCCC1CCCCCC1 6136AB [0,0,0,1,0,0|1,0,2]=4 56 B7R0.1 C=CCC#CCCO 1165AQ [2,0,0,0,0,0|0,0,2]=4 57 B7R0.1 CCCC#CCCO 5337AH [2,0,0,0,0,0|0,0,2]=4 58 B7R0.1 CCCCC#CCO V0602 [2,0,0,0,0,0|0,0,2]=4 59 B7R0.1 CCCCCCOC 8052AL [2,0,0,0,0,0|1,0,1]=4 60 B7R0.1 CCCCCOC=O 7518AF [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 CCCCSCCO 5039AL [2,0,0,0,0,0|1,0,0]=3 62 B7R0.1 CCCNCCCN 1645AB [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 CCC\C=C/CCC 7451AL [2,0,0,0,0,0|0,0,2]=4 64 B7R0.1 CCNCCCCO 2370AE [2,0,0,0,0,0|1,0,0]=3 65 B7R0.1 CC\C=C/CCCO 7447AL [2,0,0,0,0,0|0,0,0]=2 66 B7R0.1 CC\C=C\C=C\CO 3900AB [2,0,0,0,0,0|0,0,2]=4 67 B7R0.1 NCCCNCCO 6154AB [2,0,0,0,0,0|2,0,0]=4 68 B7R0.1 NCCNCCCO 8334AL [2,0,0,0,0,0|2,0,0]=4 69 B9R0.2 CC(C)NCCCCCN 5224AD [1,1,0,0,0,0|2,0,0]=4 70 B9R0.2 CC(C)NCCCCCO 6718AL [1,1,0,0,0,0|1,0,0]=3 71 B9R0.2 CCCCCCCB(O)O Y5025 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.2 CCCCCCCC(C)C 5737AL [1,1,0,0,0,0|0,0,2]=4 73 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [1,1,0,0,0,0|0,0,2]=4 74 B9R0.2 CCCCCCOC(C)=O 7968AF [1,1,0,0,0,0|2,0,0]=4 75 B9R0.2 C\C=C\CCCCB(O)O N891 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.5 CCCCCC(O)CCC 6654AL [1,1,0,0,0,0|0,0,2]=4 77 B9R0.18 CCCCC(O)CCCC 6808AL [1,1,0,0,0,0|0,0,2]=4 78 B9R0.46 CCCCCCC(O)CC 6139AL [1,1,0,0,0,0|0,0,2]=4 79 B9R0.46 COC(=O)CCCCCO 6266AB [1,1,0,0,0,0|1,0,0]=3 80 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,2,0,0,0,0|1,0,1]=4 81 B11R0.4 CCCCC\C=C\C(=O)OCC 7895AL [0,2,0,0,0,0|1,0,1]=4 82 B11R0.4 CCOC(=O)CCCCCCN X0080 [0,2,0,0,0,0|1,0,1]=4 83 B11R0.81 CCCCCCC(=O)CCCC 6822AL [0,2,0,0,0,0|1,0,1]=4 84 B11R0.155 CCCCCC(Br)C(=O)OCC 9678AJ [0,2,0,0,0,0|2,0,0]=4 85 B11R0.155 CC\C=C(/C)C(O)CCCCC 2668AC [0,2,0,0,0,0|1,0,0]=3 86 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,2,0,0,0,0|1,0,1]=4 87 B11R0.40 CCCCCCCCC(O)CO V2424 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.40 OCCCCCCCC(O)CO 4416AL [0,2,0,0,0,0|0,0,2]=4 89 B11R0.42 CC\C=C/CCOC(=O)C(C)O 7436AL [0,2,0,0,0,0|1,0,1]=4 90 B11R0.148 CCCCCCCCCC(C)O 5913AF [0,2,0,0,0,0|0,0,2]=4 91 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,2,0,0,0,0|0,0,2]=4 92 B11R0.3 C#CCCCCCCCCCO E596 [0,2,0,0,0,0|0,0,2]=4 93 B11R0.3 CCCCCCCCOCCO 4872AH [0,2,0,0,0,0|0,0,2]=4 94 B11R0.3 CCOCCOCCOCCO 9283AL [0,2,0,0,0,0|1,0,1]=4 95 B9R1.8 BrCCC1CCOCC1 6395AB [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 CNCC1CCCCO1 7421AH [1,0,0,1,0,0|1,0,1]=4 97 B9R1.8 CNCC1CCCCO1 8651AE [1,0,0,1,0,0|1,0,1]=4 98 B9R1.8 NCCC1CCCCC1 Z4868 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.8 NCCC1CCCCO1 1296AJ [1,0,0,1,0,0|1,0,1]=4 100 B9R1.8 NCCC1CCOCC1 V5672 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.8 NCCC1CCOCC1 Z2422 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.8 OCCC1CCCNC1 V3701 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.8 OCCC1CCNCC1 5112AC [1,0,0,1,0,0|1,0,0]=3 104 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.12 CCNCC1CCCO1 8649AE [1,0,0,1,0,0|1,0,0]=3 106 B9R1.12 N#C\C=C\C1CCCC1 X5531 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.50 OC1CCCCCCC1 7963AF [1,0,0,1,0,0|0,0,1]=3 108 B9R1.89 NCC1CCCCCC1 9307AA [1,0,0,1,0,0|1,0,1]=4 109 B11R1.16 CCOC(=O)C1CNCCO1 6270AA [0,1,0,1,0,0|2,0,0]=4 110 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 4486AA [0,1,0,1,0,0|2,0,0]=4 111 B11R1.30 CCOC(=O)CC1CCCC1 9596AA [0,1,0,1,0,0|2,0,0]=4 112 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,1,0,1,0,0|1,0,0]=3 113 B11R1.180 CCCCCC1CCCC1=O 6603AB [0,1,0,1,0,0|1,0,1]=4 114 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,1,0,1,0,0|2,0,0]=4 115 B11R1.28 BrCCCOC1CCCCO1 Y8779 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.28 OCCCCC1CCNCC1 V6728 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.25 O=C(CBr)NCC1CCCO1 2698AF [0,1,0,1,0,0|2,0,0]=4 118 B11R2.1261 C1COC2(C1)CCNCC2 W6002 [0,0,0,2,0,0|1,0,1]=4