0 B9R0.2 CC(=O)OCCCCCBr 464202 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.2 CCCCCCCC(=O)Cl 099180 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CCCCCCCC(=O)O 094565 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 CCCCCCCC(C)=O 349299 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.2 CCCCCCCC(C)O 321952 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.2 CCCCCCOC(C)=O 102343 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.2 CCCCC\C=C\B(O)O 103920 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.2 CC\C=C/CCOC(C)=O 102346 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.2 NCCCCCCC(=O)O 078953 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 O=C(O)CCCCCCBr 236587 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.4 CCCCCCCC=O 349298 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.4 CCCCCCCNC 104338 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.4 CCCCCCOC=O 102668 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.4 CCCCCNCCC 104994 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.4 CCCCC\C=C\C=O 103998 [1,0,0,0,0,0|0,0,0]=1 15 B8R0.7 C=CCCCOC(C)=O 098929 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.7 CC(=O)OCCCCBr 002417 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.7 CCCCCCC(=O)Cl 102978 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.7 CCCCCCC(=O)O 066627 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.7 CCCCCCC(C)=O 242815 [1,0,0,0,0,0|0,0,1]=2 20 B8R0.7 CCCCCCC(C)N 242674 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.7 CCCCCCN(C)C 046920 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.7 CCCCCOC(=O)Cl 544334 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.7 CCCCSCC(=O)O 351418 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.7 CCCC\C=C\B(O)O 329673 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.7 CCCC\C=C\C(C)=O 104079 [1,0,0,0,0,0|0,0,0]=1 26 B8R0.7 NC(=O)CCCCCBr 002966 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.7 NCCCCCC(=O)O 103200 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.7 O=C(Cl)CCCCCBr 003076 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.7 O=C(O)CCCCCBr 002967 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.3 CC(C)=CCC[C@@H](C)CCO 099344 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.4 CCCCCCCCC(=O)O 161400 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.4 CCCCCCCCC(N)=O 099214 [0,1,0,0,0,0|1,0,2]=4 34 B10R0.4 CCCCCCCNC(C)=O 104336 [0,1,0,0,0,0|0,0,2]=3 35 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,1,0,0,0,0|1,0,2]=4 36 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,1,0,0,0,0|1,0,2]=4 39 B10R0.6 COCCOC(=O)CC(C)=O 226637 [0,1,0,0,0,0|2,0,1]=4 40 B10R0.74 CCCCCC#CC(=O)OC 240942 [0,1,0,0,0,0|0,0,2]=3 41 B10R0.74 CCCCCCCC(=O)OC 242814 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.74 COC(=O)CCCCCCBr 077282 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.75 C=C(C)C(=O)OCCOCC 106349 [0,1,0,0,0,0|3,0,0]=4 44 B10R0.75 CCCCCCC(N)C(=O)O 223120 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.78 CCCCC(C)CCC(=O)O 002774 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.16 CCCCN1C=C[N+](C)=C1 050262 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.16 CCCC[N+]1=CN(C)C=C1 050376 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.16 CCCC[NH+]1C=CN(C)=C1 010266 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.18 CC(=O)CC1CCCCC1 403679 [0,0,0,1,0,0|0,0,2]=3 50 B10R1.18 CC(=O)NC1CCNCC1 033847 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.18 O=C(O)C=C1CCOCC1 040116 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.18 O=C(O)CC1CCCCC1 208902 [0,0,0,1,0,0|1,0,2]=4 53 B10R1.18 O=C(O)CN1CCCCC1 029071 [0,0,0,1,0,0|2,0,1]=4 54 B10R1.39 CCN1C=CC=C1C(C)=O 002746 [0,0,0,1,0,0|1,0,2]=4 55 B10R1.66 NC(=O)CCC1CCCC1 403705 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.66 O=C(Cl)CCC1CCCC1 520593 [0,0,0,1,0,0|1,0,2]=4 57 B10R1.66 O=C(O)CCC1CCCC1 208901 [0,0,0,1,0,0|1,0,2]=4 58 B10R1.66 O=C(O)CSC1CCCC1 349419 [0,0,0,1,0,0|2,0,1]=4 59 B10R1.78 O=C1CCCCCCCN1 098992 [0,0,0,1,0,0|1,0,1]=3 60 B10R1.348 CC(=O)N1CCCNCC1 219284 [0,0,0,1,0,0|2,0,1]=4 61 B10R1.348 O=C(O)C1CCCCCC1 066487 [0,0,0,1,0,0|1,0,2]=4 62 B7R0.1 C=CCCCCCBr 043892 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.1 C=CCCCCCC 200048 [2,0,0,0,0,0|0,0,1]=3 64 B7R0.1 C=CCCCCCI 103485 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.1 C=CCCCCNC 036092 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.1 CC#CCCCCC 162802 [2,0,0,0,0,0|0,0,2]=4 67 B7R0.1 CCCCCCC=O 520883 [2,0,0,0,0,0|0,0,1]=3 68 B7R0.1 CCCCCCCC 162200 [2,0,0,0,0,0|0,0,2]=4 69 B7R0.1 CCCCCCNC 402340 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.1 CCCC\C=C\C=O 240980 [2,0,0,0,0,0|0,0,0]=2 71 B7R0.1 CC\C=C\C=C\C=O 242611 [2,0,0,0,0,0|0,0,2]=4 72 B7R0.4 CC(=O)CCCC#N 095045 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.4 CC(=O)CCCCCl 240931 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.4 CCCCCC(=O)Cl 099325 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.4 CCCCCC(=O)O 066626 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.4 CCCCCC(C)=O 104307 [2,0,0,0,0,0|0,0,0]=2 77 B7R0.4 CCCCCC(C)O 235688 [2,0,0,0,0,0|0,0,2]=4 78 B7R0.4 CCCCC[N+](=O)[O-] 106183 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.4 CCCCNC(C)=O 103568 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.4 CCCCOC(C)=O 098991 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.4 CCCCOC(C)=O 102158 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.4 CCCSCC(=O)O 311047 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.4 CCC\C=C\C(=O)O 002797 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.4 NCCCCC(=O)O 226047 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 O=C(Cl)CCCCBr 018324 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 O=C(Cl)CCCCCl 013899 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.4 O=C(O)CCCCBr 075266 [2,0,0,0,0,0|2,0,0]=4 88 B9R0.5 CCCCCC(=O)OCC 103045 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.45 CCCCCCCCC=O 018925 [1,1,0,0,0,0|0,0,2]=4 90 B9R0.45 CCCCCC\C=C\C=O 106390 [1,1,0,0,0,0|0,0,0]=2 91 B9R0.45 CCCC\C=C\C=C\C=O 106729 [1,1,0,0,0,0|0,0,1]=3 92 B9R0.45 CC\C=C/CCCCC=O 106733 [1,1,0,0,0,0|0,0,2]=4 93 B9R0.1 COC(C)CCOC(C)=O 208973 [1,1,0,0,0,0|2,0,0]=4 94 B9R0.4 CCCCC(=O)CC(C)=O 103427 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.47 C=C(C)C(=O)OCCCC 106345 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.47 CCCCCC(C)C(=O)O 002772 [1,1,0,0,0,0|1,0,1]=4 97 B11R0.40 CCCCCCC#CC(=O)OC 106728 [0,2,0,0,0,0|0,0,2]=4 98 B11R0.40 CNC(=O)CCCCCCCBr 104471 [0,2,0,0,0,0|0,0,2]=4 99 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,2,0,0,0,0|0,0,2]=4 100 B9R1.8 O=CNC1CCCCC1 099604 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.50 O=C1CCCCCCC1 237170 [1,0,0,1,0,0|0,0,2]=4 102 B9R1.89 COC1=NCCCCC1 075009 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.6 CC(=O)C1CCCCC1 045203 [1,0,0,1,0,0|0,0,1]=3 104 B9R1.6 CC(=O)N1CCCCC1 032562 [1,0,0,1,0,0|1,0,0]=3 105 B9R1.6 CC(=O)N1CCNCC1 023244 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.6 CC(=O)N1CCOCC1 219038 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.6 NC(=O)C1CCCCC1 094742 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.6 O=C(Cl)C1CCCCC1 099402 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.6 O=C(O)C1=CCNCC1 041827 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.6 O=C(O)C1CCCCC1 079483 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.13 CC(=O)NC1CCCC1 103697 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.13 O=C(O)CC1CCCC1 236727 [1,0,0,1,0,0|1,0,1]=4 113 B11R1.27 CCCCCC1CCC(=O)O1 517774 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.34 CCCC1CC(=O)CC(=O)C1 011216 [0,1,0,1,0,0|0,0,1]=3 115 B11R1.25 CNC(=O)CCC1CCCC1 102607 [0,1,0,1,0,0|0,0,2]=4 116 B11R1.40 COC(=O)CC1CCCCC1 239559 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.40 O=C(CCl)NC1CCCCC1 026029 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.36 O=C(O)C(=O)N1CCCCC1 027669 [0,1,0,1,0,0|2,0,0]=4