0 B10R0.4 CC(C)CCCCCCCO 242242 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.4 CCCCCCCCC(=O)Cl 099081 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.4 CCCCCCCCC(=O)O 161400 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.4 CCCCCCCCC(N)=O 099214 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.4 CCCCCCCCN(C)C 098964 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 CCCCCCCNC(C)=O 104336 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.4 CCCCCCCOC(=O)Cl 024777 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.4 NC(=O)CCCCCCCBr 104466 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.4 O=C(O)CCCCCCCBr BR1099 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.2 CC(=O)OCCCCCBr 464202 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.2 CCCCCCCC(=O)Cl 099180 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.2 CCCCCCCC(=O)O 094565 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.2 CCCCCCCC(C)=O 349299 [1,0,0,0,0,0|0,0,0]=1 14 B9R0.2 CCCCCCCC(C)O 321952 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.2 CCCCCCOC(C)=O 102343 [1,0,0,0,0,0|0,0,0]=1 16 B9R0.2 CC\C=C/CCOC(C)=O 102346 [1,0,0,0,0,0|0,0,2]=3 17 B9R0.2 NCCCCCCC(=O)O 078953 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.2 O=C(O)CCCCCCBr 236587 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.45 C#CCCCCCCCC 124500 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 C=CCCCCCCCBr 080314 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.45 C=CCCCCCCCC 200050 [1,0,0,0,0,0|1,0,1]=3 22 B9R0.45 C=CCCCCCCNC 104201 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 CCCCCCCCC=O 018925 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.45 CCCCCCCCCBr 001132 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.45 CCCCCCCCCC 520891 [1,0,0,0,0,0|1,0,1]=3 26 B9R0.45 CCCCCCCCCI 149300 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.45 CCCCCCCCCN 018926 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.45 CCCCCCCCCO 101572 [1,0,0,0,0,0|1,0,2]=4 29 B9R0.45 CCCCCCCCNC 046353 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.45 CCCCCCCN=C=O 050930 [1,0,0,0,0,0|1,0,1]=3 31 B9R0.45 CCCCCCCN=C=S 008975 [1,0,0,0,0,0|1,1,1]=4 32 B9R0.45 CCCCCC\C=C\C=O 106390 [1,0,0,0,0,0|1,0,1]=3 33 B9R0.45 CCCCCNCCCC 105047 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.45 CC\C=C/CCCCC=O 106733 [1,0,0,0,0,0|1,0,2]=4 35 B11R0.30 CC(=O)NCCCCCC(=O)O 066650 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.30 CC(=O)OCCOCOC(C)=O 237850 [0,1,0,0,0,0|2,0,1]=4 37 B11R0.40 CCCCCCC#CC(=O)OC 106728 [0,1,0,0,0,0|1,0,1]=3 38 B11R0.40 CCCCCCCCC(C)C=O 102661 [0,1,0,0,0,0|1,0,1]=3 39 B11R0.40 CCCCCCCCC(C)CO 104618 [0,1,0,0,0,0|1,0,2]=4 40 B11R0.40 CNC(=O)CCCCCCCBr 104471 [0,1,0,0,0,0|2,0,0]=3 41 B11R0.46 CCCCCC(O)CCC(N)=O 104651 [0,1,0,0,0,0|2,0,0]=3 42 B11R0.148 C=CCCCCCCCC(=O)O 002775 [0,1,0,0,0,0|2,0,1]=4 43 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [0,1,0,0,0,0|2,0,0]=3 44 B11R0.148 CCCCCCCCCC(=O)O 102961 [0,1,0,0,0,0|2,0,0]=3 45 B11R0.148 CCCCCCCCCC(C)=O 106727 [0,1,0,0,0,0|1,0,0]=2 46 B11R0.148 CCCCCCCCCC(N)=O 180363 [0,1,0,0,0,0|2,0,0]=3 47 B11R0.148 CCCCCCCCNC(N)=S 018931 [0,1,0,0,0,0|2,1,0]=4 48 B11R0.148 COCCOCCOCC(=O)O 104092 [0,1,0,0,0,0|3,0,0]=4 49 B11R0.148 O=C(O)CCCCCCCCBr 036989 [0,1,0,0,0,0|2,0,0]=3 50 B11R0.159 CCCCCCCCS(=O)(=O)Cl 239556 [0,1,0,0,0,0|3,0,0]=4 51 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 009637 [0,1,0,0,0,0|3,0,0]=4 52 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl 005287 [0,1,0,0,0,0|2,1,0]=4 53 B11R1.27 CCCCCC1CCC(=O)O1 517774 [0,0,0,1,0,0|2,0,0]=3 54 B11R1.91 CC(=O)CCN1CCOCC1 041931 [0,0,0,1,0,0|3,0,0]=4 55 B11R1.91 NC(=O)CCC1CCCCC1 102611 [0,0,0,1,0,0|2,0,0]=3 56 B11R1.91 O=C(Cl)CCC1CCCCC1 356854 [0,0,0,1,0,0|2,0,0]=3 57 B11R1.91 O=C(O)CCC1CCCCC1 242639 [0,0,0,1,0,0|2,0,0]=3 58 B11R1.91 O=C(O)CCN1CCCCC1 223466 [0,0,0,1,0,0|3,0,0]=4 59 B11R1.172 O=C(O)CCCN1CCCC1 094437 [0,0,0,1,0,0|3,0,0]=4 60 B8R0.4 C=CCCCCCCBr 043893 [2,0,0,0,0,0|1,0,1]=4 61 B8R0.4 C=CCCCCCCI 505959 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.4 C=CCCCCCNC 104411 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.4 CCCCCCCC#N 098851 [2,0,0,0,0,0|1,0,1]=4 64 B8R0.4 CCCCCCCC=O 349298 [2,0,0,0,0,0|0,0,0]=2 65 B8R0.4 CCCCCCCCBr 021865 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.4 CCCCCCCCCl 520471 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.4 CCCCCCCCI 104506 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.4 CCCCCCCCN 099074 [2,0,0,0,0,0|1,0,1]=4 69 B8R0.4 CCCCCCCCO 098917 [2,0,0,0,0,0|0,0,2]=4 70 B8R0.4 CCCCCCCCS 099014 [2,0,0,0,0,0|0,1,1]=4 71 B8R0.4 CCCCCCCNC 104338 [2,0,0,0,0,0|1,0,0]=3 72 B8R0.4 CCCCCCOC=O 102668 [2,0,0,0,0,0|0,0,0]=2 73 B8R0.4 CCCCCNCCC 104994 [2,0,0,0,0,0|1,0,1]=4 74 B8R0.4 CCCCC\C=C\C=O 103998 [2,0,0,0,0,0|0,0,2]=4 75 B8R0.4 CCCCNCCCC 095822 [2,0,0,0,0,0|1,0,1]=4 76 B8R0.4 CCCCSCCCC 098351 [2,0,0,0,0,0|1,0,1]=4 77 B8R0.4 CNCCCCCCO 062955 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.4 COCCNCCOC 099116 [2,0,0,0,0,0|2,0,0]=4 79 B8R0.4 COCCOCCOC 075235 [2,0,0,0,0,0|2,0,0]=4 80 B8R0.7 C=CCCCOC(C)=O 098929 [2,0,0,0,0,0|0,0,2]=4 81 B8R0.7 CC(=O)OCCCCBr 002417 [2,0,0,0,0,0|1,0,0]=3 82 B8R0.7 CCCCCCC(=O)Cl 102978 [2,0,0,0,0,0|1,0,0]=3 83 B8R0.7 CCCCCCC(=O)O 066627 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.7 CCCCCCC(C)=O 242815 [2,0,0,0,0,0|0,0,0]=2 85 B8R0.7 CCCCCCC(C)N 242674 [2,0,0,0,0,0|1,0,1]=4 86 B8R0.7 CCCCCCN(C)C 046920 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.7 CCCCCOC(=O)Cl 544334 [2,0,0,0,0,0|1,0,0]=3 88 B8R0.7 CCCCSCC(=O)O 351418 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.7 CCCC\C=C\C(C)=O 104079 [2,0,0,0,0,0|0,0,2]=4 90 B8R0.7 NC(=O)CCCCCBr 002966 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.7 NCCCCCC(=O)O 103200 [2,0,0,0,0,0|2,0,0]=4 92 B8R0.7 O=C(Cl)CCCCCBr 003076 [2,0,0,0,0,0|2,0,0]=4 93 B8R0.7 O=C(O)CCCCCBr 002967 [2,0,0,0,0,0|2,0,0]=4 94 B10R0.22 CCCCCCCS(=O)(=O)[O-] 008041 [1,1,0,0,0,0|2,0,0]=4 95 B10R0.74 CCCCCC#CC(=O)OC 240942 [1,1,0,0,0,0|0,0,2]=4 96 B10R0.74 CCCCCCCC(=O)OC 242814 [1,1,0,0,0,0|0,0,0]=2 97 B10R0.74 CC\C=C/CCOC(=O)CC 241119 [1,1,0,0,0,0|0,0,2]=4 98 B10R0.74 CC\C=C/CCOC(=O)OC 106717 [1,1,0,0,0,0|0,0,2]=4 99 B10R0.74 COC(=O)CCCCCCBr 077282 [1,1,0,0,0,0|1,0,0]=3 100 B10R0.75 CCCCCCC(N)C(=O)O 223120 [1,1,0,0,0,0|1,0,0]=3 101 B10R0.78 CCCCC(C)CCC(=O)O 002774 [1,1,0,0,0,0|1,0,0]=3 102 B10R0.1 CCCCCCC(C)N=C=O 021015 [1,1,0,0,0,0|1,0,1]=4 103 B10R0.71 C=CCCCCCCCCBr 003439 [1,1,0,0,0,0|1,0,1]=4 104 B10R0.71 C=CCCCCCCCCI 105744 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.71 C=CCCCCCCCCO 102610 [1,1,0,0,0,0|1,0,1]=4 106 B10R0.71 CCCCCCCC#CCO 009119 [1,1,0,0,0,0|1,0,1]=4 107 B10R0.71 CCCCCCCCCC=O 223253 [1,1,0,0,0,0|1,0,0]=3 108 B10R0.71 CCCCCCCCCCBr 099716 [1,1,0,0,0,0|1,0,1]=4 109 B10R0.71 CCCCCCCCCCF 004615 [1,1,0,0,0,0|1,0,1]=4 110 B10R0.71 CCCCCCCCCCI 148000 [1,1,0,0,0,0|1,0,1]=4 111 B10R0.71 CCCCCCCCCCN 240983 [1,1,0,0,0,0|1,0,1]=4 112 B10R0.71 CCCCCCCCCCO 043323 [1,1,0,0,0,0|1,0,1]=4 113 B10R0.71 CCCCCCCCCCS 098561 [1,1,0,0,0,0|1,0,1]=4 114 B10R0.71 CCCCCCCCCSC 099662 [1,1,0,0,0,0|1,0,1]=4 115 B10R0.71 CCCCCCCCN=C=O 104259 [1,1,0,0,0,0|1,0,1]=4 116 B10R0.71 CCCCCCCCOC=O 102669 [1,1,0,0,0,0|0,0,0]=2 117 B10R0.71 CCCCCCC\C=C\C=O 319883 [1,1,0,0,0,0|1,0,0]=3 118 B10R0.71 CCCCCCNCCCC 105063 [1,1,0,0,0,0|1,0,1]=4 119 B10R0.71 CCCCCNCCCCC 098918 [1,1,0,0,0,0|1,0,1]=4 120 B10R0.71 CCCCOCCOCCO 448626 [1,1,0,0,0,0|1,0,1]=4 121 B10R0.71 CCOCCNCCOCC 099253 [1,1,0,0,0,0|1,0,1]=4 122 B12R0.1 CCCCCCCCC(=O)OCC 240753 [0,2,0,0,0,0|1,0,0]=3 123 B12R0.1 CCOC(=O)CCCCCCCBr 043688 [0,2,0,0,0,0|2,0,0]=4 124 B12R0.49 CCCCCC\C=C(/C)C(=O)OC 239524 [0,2,0,0,0,0|1,0,1]=4 125 B12R0.142 CCCCCC(O)CCC(=O)NC 104653 [0,2,0,0,0,0|1,0,0]=3 126 B12R0.248 CCCCCCCCCC(=O)NC 104822 [0,2,0,0,0,0|1,0,0]=3 127 B12R0.248 CCCCCCCCCC(C)C=O 103624 [0,2,0,0,0,0|1,0,1]=4 128 B12R0.58 CCCCCCCC(C)(C)C(=O)O 009777 [0,2,0,0,0,0|2,0,0]=4 129 B12R0.234 C=CCCCCCCCCC(=O)O 228026 [0,2,0,0,0,0|2,0,0]=4 130 B12R0.234 C=CCCCCCCCCC(=O)O 386316 [0,2,0,0,0,0|2,0,0]=4 131 B12R0.234 O=C(O)CCCCCCCCCBr 215643 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.18 CC(=O)CC1CCCCC1 403679 [1,0,0,1,0,0|0,0,0]=2 133 B10R1.18 CC(=O)NC1CCNCC1 033847 [1,0,0,1,0,0|2,0,0]=4 134 B10R1.18 O=C(O)CC1CCCCC1 208902 [1,0,0,1,0,0|1,0,0]=3 135 B10R1.18 O=C(O)CC1CCCNC1 078407 [1,0,0,1,0,0|2,0,0]=4 136 B10R1.18 O=C(O)CC1CCOCC1 011896 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.18 O=C(O)CN1CCCCC1 029071 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.61 CC(=O)C1CCCCC1=O 068997 [1,0,0,1,0,0|1,0,1]=4 139 B10R1.61 CN1CCCCC1C(=O)O 024854 [1,0,0,1,0,0|2,0,0]=4 140 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 103725 [1,0,0,1,0,0|2,0,0]=4 141 B10R1.66 NC(=O)CCC1CCCC1 403705 [1,0,0,1,0,0|1,0,0]=3 142 B10R1.66 NC(=O)CCN1CCCC1 043219 [1,0,0,1,0,0|2,0,0]=4 143 B10R1.66 O=C(Cl)CCC1CCCC1 520593 [1,0,0,1,0,0|1,0,0]=3 144 B10R1.66 O=C(O)CCC1CCCC1 208901 [1,0,0,1,0,0|1,0,0]=3 145 B10R1.66 O=C(O)CCN1CCCC1 035191 [1,0,0,1,0,0|2,0,0]=4 146 B10R1.66 O=C(O)CSC1CCCC1 349419 [1,0,0,1,0,0|2,0,0]=4 147 B10R1.78 O=C1CCCCCCCN1 098992 [1,0,0,1,0,0|1,0,0]=3 148 B10R1.348 CC(=O)N1CCCNCC1 219284 [1,0,0,1,0,0|2,0,0]=4 149 B10R1.348 O=C(O)C1CCCCCC1 066487 [1,0,0,1,0,0|1,0,0]=3 150 B10R1.17 CCCCC1CCNCC1 076847 [1,0,0,1,0,0|1,0,1]=4 151 B10R1.85 O=C=NC1CCCCCC1 511955 [1,0,0,1,0,0|1,0,1]=4 152 B12R1.27 CNC(=O)CCC1CCCCC1 102612 [0,1,0,1,0,0|1,0,0]=3 153 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 242937 [0,1,0,1,0,0|2,0,0]=4 154 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 079761 [0,1,0,1,0,0|2,0,0]=4 155 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O 049394 [0,1,0,1,0,0|2,0,0]=4 156 B12R1.21 CC(=O)OCN1CCC(N)CC1 046335 [0,1,0,1,0,0|1,0,0]=3 157 B12R1.252 O=C(O)CCCC1CCCCC1 099671 [0,1,0,1,0,0|2,0,0]=4 158 B12R1.252 O=C(O)CCCC1CCNCC1 040577 [0,1,0,1,0,0|2,0,0]=4 159 B12R1.28 CCCCCC1CCCC(=O)O1 235502 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.24 O=C1CCC2CCCCC2C1 099192 [0,0,0,2,0,0|1,0,0]=3 161 B12R2.1081 O=C1CCC[C@@H]2CCCC[C@@H]12 245835 [0,0,0,2,0,0|1,0,0]=3 162 B12R2.2918 O=C1CC2(CCCCC2)CN1 070856 [0,0,0,2,0,0|1,0,0]=3 163 B12R2.1661 O=C(O)CC1CC2CCC1C2 324812 [0,0,0,2,0,0|2,0,0]=4 164 B12R2.1154 CN1C2CCCC1CC(=O)C2 002605 [0,0,0,2,0,0|2,0,0]=4