0 B9R1.48 O=C1CCCCC(=O)N1 OR70222 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.22 BrC1=CCCCCC1 OR59406 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.22 C=C1OCCCCO1 OR200162 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.22 O=C1CCCCCC1 OR6556 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.22 O=C1CCCCCN1 OR42190 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.22 O=C1CCCNCC1 OR4647 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.22 O=C1CCNCCN1 OR2299 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.22 O=C1CCNCCN1 OR9118 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.1 CCOC(=O)CCCBr OR14983 [0,0,1,0,0,0|2,0,1]=4 9 B8R0.5 CCC\C(C)=C\C(=O)O OR70168 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.5 CCOC(=O)C=C(C)C OR54610 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.5 CCOC(=O)CC(=O)Cl OR5235 [0,0,1,0,0,0|3,0,0]=4 12 B8R0.5 CCOC(=O)CC(=O)O OR54513 [0,0,1,0,0,0|3,0,0]=4 13 B8R0.5 CCOC(=O)CC(=O)[O-] OR16162 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.5 CCOC(=O)CC(N)=O OR59898 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.7 CCCCCCC(C)=O OR46056 [0,0,1,0,0,0|2,0,1]=4 16 B8R0.7 NCCCCCC(=O)O OR46222 [0,0,1,0,0,0|1,0,1]=3 17 B8R0.7 O=C(O)CCCCCBr OR9393 [0,0,1,0,0,0|1,0,1]=3 18 B8R0.7 O=C(O)CCCCCO OR200084 [0,0,1,0,0,0|0,0,2]=3 19 B8R0.19 CCC(=O)CC(=O)OC OR5113 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.19 CCC(=O)OC(=O)CC OR5320 [0,0,1,0,0,0|0,0,0]=1 21 B8R0.19 COC(=O)CC(=O)CCl OR4924 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.19 COC(=O)CC(=O)OC OR2832 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.19 O=C(CCl)OC(=O)CCl OR18340 [0,0,1,0,0,0|2,0,0]=3 24 B10R2.42 O=C1OC(=O)C2CCC12 OR0316 [0,0,0,1,0,0|0,0,0]=1 25 B10R2.71 O=C1CC2CCC(C1)C2 OR52275 [0,0,0,1,0,0|2,0,1]=4 26 B10R2.71 O=C1CC2CCC(C1)N2 OR4717 [0,0,0,1,0,0|2,0,1]=4 27 B10R2.71 O=C1CC2CCC(C1)N2 OR939255 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.4 CN1CCCC(=O)C1 OR55488 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.4 CN1CCCC(=O)C1 OR55582 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.4 NC1=CC(=O)CCC1 OR4645 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.4 O=C1CCCC(=O)C1 OR28703 [0,0,0,0,1,0|1,0,0]=2 32 B8R1.4 O=C1CCNC(=O)C1 OR48245 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.4 O=C1COCC(=O)N1 OR70072 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.4 O=C1COCC(=O)O1 OR45104 [0,0,0,0,1,0|1,0,0]=2 35 B8R1.4 O=C1CSCC(=O)O1 OR28488 [0,0,0,0,1,0|1,0,0]=2 36 B8R1.5 CC1CCCNC1=O OR22899 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.5 CN1CCNCC1=O OR301209 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.5 O=C1CCCCC1=O OR0317 [0,0,0,0,1,0|0,0,0]=1 39 B7R0.1 CCCCCCC=O OR6047 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.1 CCCC\C=C\C=O OR6048 [1,0,1,0,0,0|1,0,0]=3 41 B7R0.1 O=CCCCCCBr OR52339 [1,0,1,0,0,0|1,0,1]=4 42 B7R0.1 O=CCCCCCCl OR40327 [1,0,1,0,0,0|1,0,1]=4 43 B7R0.3 CCC=CC(=O)OC OR40582 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.3 CC\C=C\C(=O)OC OR6667 [1,0,1,0,0,0|2,0,0]=4 45 B7R0.3 COC(=O)CCCN OR22446 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.7 CCCC(=O)OCCl OR16070 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.7 CCOC(=O)CCCl OR54512 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.7 CCOC(=O)CCN OR26826 [1,0,1,0,0,0|1,0,1]=4 49 B7R0.7 CCOC(=O)COC OR30271 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.2 CNC(=O)CC(C)=O OR54480 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.2 COC(=O)CC(C)=O OR54474 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.4 C#CCCCC(=O)O OR30593 [1,0,1,0,0,0|0,0,2]=4 53 B7R0.4 CCCCCC(=O)Cl OR8839 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.4 CCCCCC(=O)O OR6007 [1,0,1,0,0,0|0,0,1]=3 55 B7R0.4 C\C=C\CCC(=O)O OR60122 [1,0,1,0,0,0|1,0,1]=4 56 B7R0.4 NCCCCC(=O)O OR310635 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.4 O=C(Cl)CCCCBr OR18308 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.4 O=C(O)CCCCBr OR9972 [1,0,1,0,0,0|1,0,0]=3 59 B7R0.4 O=C(O)COCCCl OR301184 [1,0,1,0,0,0|2,0,0]=4 60 B9R0.5 CCOC(=O)CCCCBr OR322208 [0,1,1,0,0,0|1,0,1]=4 61 B9R0.6 CCOC(=O)C(C)C(C)=O OR51898 [0,1,1,0,0,0|2,0,0]=4 62 B9R0.6 CCOC(=O)C(Cl)C(C)=O OR5481 [0,1,1,0,0,0|2,0,0]=4 63 B9R0.53 CC(=O)CC(=O)CC(C)C OR12800 [0,1,1,0,0,0|1,0,0]=3 64 B9R0.2 C=CCCCCCC(=O)O OR55219 [0,1,1,0,0,0|1,0,0]=3 65 B9R0.2 C=CCCCCOC(C)=O OR17905 [0,1,1,0,0,0|2,0,0]=4 66 B9R0.2 CCCCCCCC(=O)O OR6008 [0,1,1,0,0,0|1,0,1]=4 67 B9R0.2 NCCCCCCC(=O)O OR2575 [0,1,1,0,0,0|1,0,1]=4 68 B9R0.2 O=C(O)CCCCCCBr OR6483 [0,1,1,0,0,0|1,0,1]=4 69 B9R0.46 COC(=O)CCCCCBr OR2002 [0,1,1,0,0,0|1,0,1]=4 70 B9R0.47 NCCCC[C@H](N)C(=O)O OR14752 [0,1,1,0,0,0|1,0,1]=4 71 B9R0.47 NCCCC[C@H](N)C(=O)O OR52570 [0,1,1,0,0,0|1,0,1]=4 72 B9R0.55 CC(=O)CCCCC(=O)O OR5276 [0,1,1,0,0,0|0,0,0]=2 73 B9R0.55 O=C(O)\C=C\CCC(=O)O OR53046 [0,1,1,0,0,0|0,0,2]=4 74 B9R0.42 COC(=O)CC(=O)C(C)C OR322091 [0,1,1,0,0,0|2,0,0]=4 75 B9R1.5 CN1CCCCCC1=O OR24564 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.5 NC1CCCCNC1=O OR28685 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.5 O=C1CCCCNC1=O OR52235 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.3 CC1C(=O)CCCC1=O OR4205 [0,1,0,0,1,0|1,0,0]=3 79 B9R1.34 CC1CC(=O)CC(=O)C1 OR7172 [0,1,0,0,1,0|1,0,0]=3 80 B9R1.34 CC1CC(=O)OC(=O)C1 OR315232 [0,1,0,0,1,0|0,0,0]=2 81 B9R1.66 O=C1CCCS(=O)(=O)N1 OR3458 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.69 NC1CCC(=O)NC1=O OR20048 [0,1,0,0,1,0|1,0,0]=3 83 B9R1.69 O=C1CCC(Br)C(=O)N1 OR41150 [0,1,0,0,1,0|1,0,0]=3 84 B9R1.15 N#CC1CCCCC1=O OR7944 [0,1,0,0,1,0|1,0,1]=4 85 B9R1.15 O=C1CCCCC1CO OR40419 [0,1,0,0,1,0|0,0,2]=4 86 B9R1.12 CCCCC1=CC=CO1 OR3223 [0,0,1,1,0,0|2,0,0]=4 87 B9R1.183 CCOC(=O)C1CC1C OR28709 [0,0,1,1,0,0|1,0,1]=4 88 B9R1.6 O=C(O)C1CC=CCC1 OR30377 [0,0,1,1,0,0|1,0,1]=4 89 B9R1.6 O=C(O)C1CCCCC1 OR40331 [0,0,1,1,0,0|1,0,1]=4 90 B9R1.6 O=C(O)C1CCCCN1 OR6924 [0,0,1,1,0,0|1,0,1]=4 91 B9R1.6 O=C(O)C1CCCNC1 OR8589 [0,0,1,1,0,0|2,0,0]=4 92 B9R1.6 O=C(O)C1CCCOC1 OR70150 [0,0,1,1,0,0|2,0,0]=4 93 B9R1.6 O=C(O)[C@@H]1CCCNC1 OR8967 [0,0,1,1,0,0|2,0,0]=4 94 B9R1.6 O=C(O)[C@H]1CCCCN1 OR350111 [0,0,1,1,0,0|1,0,1]=4 95 B9R1.6 O=C(O)[C@H]1CCCNC1 OR8968 [0,0,1,1,0,0|2,0,0]=4 96 B9R1.37 CC1=C(C)C(=O)OC1=O OR21481 [0,0,1,1,0,0|0,0,2]=4 97 B9R2.25 O=C1OC(=O)C2CC12 OR0962 [0,0,0,1,1,0|0,0,0]=2 98 B11R2.202 O=C1NC(=O)N2CCCC12 OR16888 [0,0,0,1,0,1|1,0,0]=3 99 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,0,1,0,1,0|2,0,0]=4 100 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,0,1,0,1,0|2,0,0]=4 101 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,0,1,0,1,0|1,0,0]=3 102 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,0,1,0,1,0|2,0,0]=4 103 B7R1.3 CC1=CCCCC1 OR7135 [1,0,0,0,1,0|1,0,0]=3 104 B7R1.3 O=C1C=CCCC1 OR18379 [1,0,0,0,1,0|0,0,1]=3 105 B7R1.3 O=C1C=CCCO1 OR70226 [1,0,0,0,1,0|0,0,2]=4 106 B7R1.3 O=C1CCCCN1 OR5194 [1,0,0,0,1,0|1,0,0]=3 107 B7R1.3 O=C1CCCCO1 OR10065 [1,0,0,0,1,0|0,0,0]=2 108 B7R1.3 O=C1CCCNC1 OR40196 [1,0,0,0,1,0|1,0,1]=4 109 B7R1.3 O=C1CCCOC1 OR301349 [1,0,0,0,1,0|1,0,1]=4 110 B7R1.3 O=C1CCNCC1 OR55344 [1,0,0,0,1,0|1,0,1]=4 111 B7R1.3 O=C1CCNCC1 OR6945 [1,0,0,0,1,0|1,0,1]=4 112 B7R1.3 O=C1CCOCC1 OR9280 [1,0,0,0,1,0|1,0,1]=4 113 B7R1.3 O=C1CCSCC1 OR27391 [1,0,0,0,1,0|1,0,1]=4 114 B7R1.3 O=C1CNCCN1 OR4565 [1,0,0,0,1,0|2,0,0]=4 115 B7R1.3 O=C1COCCN1 OR301177 [1,0,0,0,1,0|2,0,0]=4 116 B7R1.3 O=C1OCCCO1 OR41165 [1,0,0,0,1,0|1,0,0]=3 117 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,0,0,0,2,0|2,0,0]=4 118 B7R1.2 O=C1C=CC(=O)O1 OR61510 [0,0,0,0,2,0|0,0,2]=4 119 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,0,0,0,2,0|1,0,0]=3 120 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,0,0,0,2,0|0,0,0]=2 121 B7R1.2 O=C1COC(=O)C1 OR15973 [0,0,0,0,2,0|2,0,0]=4 122 B7R1.2 O=C1COC(=O)C1 OR28721 [0,0,0,0,2,0|2,0,0]=4 123 B7R1.2 O=C1CSC(=O)N1 OR5630 [0,0,0,0,2,0|2,0,0]=4 124 B7R1.4 BrC1=C(Br)CCC1 OR13703 [0,0,0,0,2,0|2,0,0]=4 125 B7R1.4 O=C1CCC=C1Br OR19566 [0,0,0,0,2,0|1,0,1]=4 126 B7R1.4 O=C1CCCC1Cl OR5230 [0,0,0,0,2,0|1,0,1]=4