0 B8R0.4 CCCCCCCCF V6056 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.4 CCCCCOCCO 6511AH [0,0,0,0,0,0|1,0,1]=2 2 B8R0.4 CCCCNCCC#N 8245AE [0,0,0,0,0,0|2,0,2]=4 3 B8R0.4 CCCCNCCCC W7485 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 CCCCOCCCN P793 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 CCCC\C=C/CCO 7442AL [0,0,0,0,0,0|0,0,0]=0 6 B8R0.4 CCC\C=C\C=C\CO Z4325 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.4 CC\C=C/CCCCO 7454AL [0,0,0,0,0,0|0,0,4]=4 8 B8R0.4 ClCCCCCCCBr 4782AL [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 CCCC#CCCC 7932AF [1,0,0,0,0,0|0,0,3]=4 10 B7R0.1 CCCC#CCCO 5337AH [1,0,0,0,0,0|0,0,2]=3 11 B7R0.1 CCCCC#CCO V0602 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.1 CCCCCCOC 8052AL [1,0,0,0,0,0|1,0,2]=4 13 B7R0.1 CCCCSCCO 5039AL [1,0,0,0,0,0|1,0,0]=2 14 B7R0.1 CCCNCCCN 1645AB [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 CCC\C=C/CCC 7451AL [1,0,0,0,0,0|1,0,0]=2 16 B7R0.1 CCNCCCCO 2370AE [1,0,0,0,0,0|1,0,1]=3 17 B7R0.1 CC\C=C/CCCO 7447AL [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 CC\C=C\C=C\CO 3900AB [1,0,0,0,0,0|0,0,2]=3 19 B7R0.1 NCCCNCCN M698 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.1 NCCCNCCO 6154AB [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 NCCNCCCO 8334AL [1,0,0,0,0,0|2,0,1]=4 22 B7R0.1 OCCNNCCO 1925AB [1,0,0,0,0,0|3,0,0]=4 23 B9R0.2 CC(C)NCCCCCO 6718AL [0,1,0,0,0,0|1,0,2]=4 24 B9R0.2 CCCCCCCB(O)O Y5025 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.2 CCCCCCCC(C)C 5737AL [0,1,0,0,0,0|1,0,2]=4 26 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,1,0,0,0,0|0,0,3]=4 27 B9R0.5 CCCCCC(O)CCC 6654AL [0,1,0,0,0,0|1,0,2]=4 28 B9R0.18 CCCCC(O)CCCC 6808AL [0,1,0,0,0,0|1,0,2]=4 29 B9R0.18 CCCCS(=O)CCCC S178 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.45 C#CCCCCCCCO X5979 [0,1,0,0,0,0|0,0,3]=4 31 B9R0.45 C=CCCCCCCCO 6910AL [0,1,0,0,0,0|0,0,3]=4 32 B9R0.45 CCCCCC#CCCO V0610 [0,1,0,0,0,0|0,0,2]=3 33 B9R0.45 CCCCCCC#CCO V0621 [0,1,0,0,0,0|0,0,3]=4 34 B9R0.45 CCCCCCCCC#N 8127AF [0,1,0,0,0,0|1,0,2]=4 35 B9R0.45 CCCCCCCCCS Q791 [0,1,0,0,0,0|0,1,2]=4 36 B9R0.45 CCCCCC\C=C/CO 7426AL [0,1,0,0,0,0|0,0,2]=3 37 B9R0.45 CCCCC\C=C/CCO 7441AL [0,1,0,0,0,0|0,0,0]=1 38 B9R0.45 CCCNCCNCCC 5593AD [0,1,0,0,0,0|2,0,1]=4 39 B9R0.45 ICCCCCCCCI 4683AL [0,1,0,0,0,0|1,0,2]=4 40 B9R0.45 NCCCCNCCCN 7714AH [0,1,0,0,0,0|2,0,1]=4 41 B9R0.45 OCCCCCCCCCl Q040 [0,1,0,0,0,0|0,0,2]=3 42 B9R0.45 SCCCCCCCCS 7639AJ [0,1,0,0,0,0|0,1,2]=4 43 B9R0.46 CCCCCCC(O)CC 6139AL [0,1,0,0,0,0|1,0,2]=4 44 B9R1.8 BrCCN1CCCCC1 4892AC [0,0,0,1,0,0|2,0,1]=4 45 B9R1.8 CNCC1CCCCO1 7421AH [0,0,0,1,0,0|1,0,2]=4 46 B9R1.8 CNCC1CCCCO1 8651AE [0,0,0,1,0,0|1,0,2]=4 47 B9R1.8 NCCC1CCCCC1 Z4868 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.8 NCCC1CCCCO1 1296AJ [0,0,0,1,0,0|1,0,2]=4 49 B9R1.8 OCCC1CCCNC1 V3701 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.8 OCCC1CCNCC1 5112AC [0,0,0,1,0,0|1,0,2]=4 51 B9R1.8 OCCC1CNCCN1 4749AE [0,0,0,1,0,0|2,0,1]=4 52 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [0,0,0,1,0,0|1,0,1]=3 53 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,0,0,1,0,0|0,1,2]=4 54 B9R1.12 CCNCC1CCCO1 8649AE [0,0,0,1,0,0|1,0,2]=4 55 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.12 NCCOC1CCCC1 5277AJ [0,0,0,1,0,0|2,0,1]=4 57 B9R1.50 OC1CCCCCCC1 7963AF [0,0,0,1,0,0|0,0,2]=3 58 B9R1.89 NCC1CCCCCC1 9307AA [0,0,0,1,0,0|1,0,2]=4 59 B6R0.6 CCC#CCCO 5338AH [2,0,0,0,0,0|0,0,2]=4 60 B6R0.6 CCCC#CCO V0624 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.6 CCCCSCC 7568AF [2,0,0,0,0,0|1,0,0]=3 62 B6R0.6 CCCNCCO 8316AA [2,0,0,0,0,0|1,0,0]=3 63 B6R0.6 CNCCCCO 5794AB [2,0,0,0,0,0|1,0,0]=3 64 B6R0.6 C\C=C/CCCO 7448AL [2,0,0,0,0,0|1,0,0]=3 65 B6R0.6 C\C=C\C=C\CO X5865 [2,0,0,0,0,0|0,0,2]=4 66 B6R0.6 SCCCCCS 7344AF [2,0,0,0,0,0|1,1,0]=4 67 B8R0.1 CCCCC(O)CCC 7995AF [1,1,0,0,0,0|0,0,2]=4 68 B8R0.1 CCCCN(C)CCCl 9577AC [1,1,0,0,0,0|2,0,0]=4 69 B8R0.1 CCCOC(=O)CCC 9026AJ [1,1,0,0,0,0|1,0,1]=4 70 B8R0.1 CCOC(=O)CCCI 1537AC [1,1,0,0,0,0|2,0,0]=4 71 B8R0.1 CCOC(=O)CCNC 7579AD [1,1,0,0,0,0|2,0,0]=4 72 B8R0.6 CCCCCC(=O)CC 6144AL [1,1,0,0,0,0|0,0,1]=3 73 B8R0.6 CCCCNC(=O)CC 8516AL [1,1,0,0,0,0|1,0,0]=3 74 B8R0.6 CCC\C=C\C(=O)OC 6957AJ [1,1,0,0,0,0|1,0,1]=4 75 B8R0.6 OCCCCC(O)CO X6223 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.7 CCCCCCC(C)O Z6063 [1,1,0,0,0,0|0,0,1]=3 77 B8R0.7 CCCC\C=C\C(C)=O 6146AL [1,1,0,0,0,0|0,0,1]=3 78 B10R0.4 CC(C)CCCCCCCO 0582AC [0,2,0,0,0,0|0,0,2]=4 79 B10R0.4 CCCCCCCCC(C)O 5773AF [0,2,0,0,0,0|0,0,2]=4 80 B10R0.74 C=CC(O)CCCCCCC U552 [0,2,0,0,0,0|0,0,2]=4 81 B10R0.74 CCCCCCCC(O)CC 6031AL [0,2,0,0,0,0|0,0,2]=4 82 B10R0.74 CCCCCCCC(O)CO 4474AL [0,2,0,0,0,0|0,0,2]=4 83 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,2,0,0,0,0|1,0,1]=4 84 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,2,0,0,0,0|1,0,1]=4 85 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.91 CCCCCC(=O)OCCC 9028AJ [0,2,0,0,0,0|1,0,1]=4 87 B10R0.71 CCCCCCCC#CCO V0616 [0,2,0,0,0,0|0,0,2]=4 88 B10R0.71 CCCCC\C=C/CCCO 7446AL [0,2,0,0,0,0|0,0,0]=2 89 B10R0.71 CCCC\C=C\CCCCO 9236AL [0,2,0,0,0,0|0,0,0]=2 90 B10R0.71 OCCCCCCCCCCl 7136AB [0,2,0,0,0,0|0,0,2]=4 91 B10R0.71 OCCCCNCCCCO 2416AC [0,2,0,0,0,0|0,0,2]=4 92 B10R0.71 OCCSCCCSCCO 5964AL [0,2,0,0,0,0|1,0,1]=4 93 B8R1.2 CCC1CCCCC1 8567AA [1,0,0,1,0,0|0,0,2]=4 94 B8R1.2 CCC1CCNCC1 0192AE [1,0,0,1,0,0|1,0,1]=4 95 B8R1.2 CCC1CNCCO1 V6407 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.2 CC[C@H]1COCCN1 1076AB [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 COC1CCC=CO1 5901AL [1,0,0,1,0,0|2,0,0]=4 98 B8R1.2 ICC1CCCCC1 4784AJ [1,0,0,1,0,0|1,0,1]=4 99 B8R1.2 NCC1CCCCO1 V7179 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.2 NC[C@H]1COCCO1 8566AH [1,0,0,1,0,0|2,0,0]=4 101 B8R1.2 OCC1CCNCC1 5626AH [1,0,0,1,0,0|1,0,1]=4 102 B8R1.2 OCC1CCSCC1 Y6767 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.2 OCC1CNCCO1 W3143 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.2 OCC1CNCCO1 X8636 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.2 OCC1COCCN1 1479AA [1,0,0,1,0,0|2,0,0]=4 106 B8R1.2 OCC1COCCN1 6468AC [1,0,0,1,0,0|2,0,0]=4 107 B8R1.2 OC[C@@H]1CNCCO1 X9792 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.2 ONC1CCCCC1 1210AB [1,0,0,1,0,0|1,0,1]=4 109 B8R1.2 [C@@H]1(CC)COCCN1 9533AF [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 CC1COCCC1O 2365AJ [1,0,0,1,0,0|1,0,1]=4 111 B8R1.5 N[C@@H]1CCCC[C@@H]1O W4237 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.5 N[C@H]1CCCC[C@@H]1O B566 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [1,0,0,1,0,0|1,0,1]=4 114 B8R1.5 N[C@H]1CCCC[C@H]1O X3115 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.5 OC1CCCCC1Cl 7832AA [1,0,0,1,0,0|1,0,1]=4 116 B8R1.8 CNCC1CCCO1 7539AF [1,0,0,1,0,0|1,0,1]=4 117 B8R1.8 NCCC1CCCC1 W7101 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.8 NCCC1CCCC1 Z5033 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.22 BrC1CCCCCC1 1727AB [1,0,0,1,0,0|1,0,1]=4 120 B8R1.22 NC1CCCCNC1 3820AJ [1,0,0,1,0,0|2,0,0]=4 121 B8R1.22 O=C1C=CCCCC1 X8995 [1,0,0,1,0,0|0,0,2]=4 122 B8R1.49 C1=CCCC=CCC1 4303AA [1,0,0,1,0,0|0,0,2]=4 123 B8R1.49 C1=CCCC=CCC1 4304AA [1,0,0,1,0,0|0,0,2]=4 124 B8R1.49 C1=CCCC=CCC1 4331AB [1,0,0,1,0,0|0,0,2]=4 125 B8R1.49 C1=CCCC=CCC1 G763 [1,0,0,1,0,0|0,0,2]=4 126 B8R1.49 C1=CCCCCCC1 R645 [1,0,0,1,0,0|0,0,0]=2 127 B8R1.49 C1=CCCCCCC1 Z3117 [1,0,0,1,0,0|0,0,0]=2 128 B8R1.49 [CH]1[CH]CCCCCC1 8468AJ [1,0,0,1,0,0|0,0,2]=4 129 B10R1.10 CCCC1CCCC(=O)O1 R377 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.78 O=C1CCCCCCCC1 3914AB [0,1,0,1,0,0|1,0,1]=4 131 B10R1.11 CC(CCO)N1CCCC1 4986AD [0,1,0,1,0,0|1,0,1]=4 132 B10R1.11 NCCC(=O)N1CCCC1 7856AE [0,1,0,1,0,0|2,0,0]=4 133 B10R1.21 BrCCCCC1OCCO1 1141AJ [0,1,0,1,0,0|1,0,1]=4 134 B10R1.21 CCCCCC1=CC=CO1 4832AB [0,1,0,1,0,0|0,0,2]=4 135 B10R1.21 CCCNCC1CCCO1 1152AC [0,1,0,1,0,0|0,0,2]=4 136 B10R1.21 ClCCCCC1OCCO1 0179AP [0,1,0,1,0,0|1,0,1]=4 137 B10R1.4 CCCC1CCCCC1O 5770AL [0,1,0,1,0,0|0,0,2]=4 138 B10R1.17 OCCCC1CCNCC1 0904AC [0,1,0,1,0,0|0,0,2]=4 139 B10R1.17 OCCCC1CCNCC1 7796AA [0,1,0,1,0,0|0,0,2]=4 140 B10R1.20 OC[C@@H]1CCCC[C@H]1CO X6176 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.20 OC[C@H]1CCCC[C@@H]1CO X6158 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.1 CC1CCN(CCO)CC1 5093AB [0,1,0,1,0,0|1,0,1]=4 144 B10R1.1 NC1CCC(CCO)CC1 5011AL [0,1,0,1,0,0|0,0,2]=4 145 B10R1.15 N[C@H](CO)C1CCCCC1 2997AC [0,1,0,1,0,0|0,0,2]=4 146 B10R1.15 OCC(O)C1CCCCN1 7450AB [0,1,0,1,0,0|1,0,1]=4 147 B10R2.18 C1=CCCC2OC2CC1 V7053 [0,0,0,2,0,0|0,0,2]=4 148 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,2,0,0|1,0,1]=4