0 B9R0.45 C#CCCCCCCC#C A13834 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C(CCCC#N)CCC#N B24543 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C(CCCCBr)CCCBr A15651 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.45 C(CCCCBr)CCCO H27628 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.45 C(CCCCCl)CCCO H28417 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 C(CCCCI)CCCI A10867 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.45 C(CCCCN)CCCN B23885 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.45 C(CCCCO)CCCO A15402 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.45 C(CCCCS)CCCS B24693 [0,0,0,0,0,0|1,1,1]=3 9 B9R0.45 C(CCNCCCN)CN A19096 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.45 C=CCCCCCCC=C 31207 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.45 C=CCCCCCCCBr H64792 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.45 CCCCC#CCCCC A13050 [0,0,0,0,0,0|1,0,3]=4 13 B9R0.45 CCCCC#CCCCCl L10491 [0,0,0,0,0,0|1,0,3]=4 14 B9R0.45 CCCCCC#CCC#C L12516 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.45 CCCCCC#CCCC B20597 [0,0,0,0,0,0|1,0,3]=4 16 B9R0.45 CCCCCC#CCCO A12922 [0,0,0,0,0,0|0,0,4]=4 17 B9R0.45 CCCCCCC#CCC B20268 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.45 CCCCCCC#CCO L06380 [0,0,0,0,0,0|0,0,4]=4 19 B9R0.45 CCCCCCCCC#C A11171 [0,0,0,0,0,0|1,0,1]=2 20 B9R0.45 CCCCCCCCC=C 31213 [0,0,0,0,0,0|1,0,0]=1 21 B9R0.45 CCCCCCCCC=C L06800 [0,0,0,0,0,0|1,0,0]=1 22 B9R0.45 CCCCCCCCC=O A15908 [0,0,0,0,0,0|0,0,0]=0 23 B9R0.45 CCCCCCCCCBr A10577 [0,0,0,0,0,0|1,0,1]=2 24 B9R0.45 CCCCCCCCCC 31209 [0,0,0,0,0,0|1,0,1]=2 25 B9R0.45 CCCCCCCCCC A14732 [0,0,0,0,0,0|1,0,1]=2 26 B9R0.45 CCCCCCCCCCl L09909 [0,0,0,0,0,0|1,0,1]=2 27 B9R0.45 CCCCCCCCCI A10667 [0,0,0,0,0,0|1,0,1]=2 28 B9R0.45 CCCCCCCCCN A18209 [0,0,0,0,0,0|1,0,1]=2 29 B9R0.45 CCCCCCCCCO A12510 [0,0,0,0,0,0|0,0,2]=2 30 B9R0.45 CCCCCCCCCS L10988 [0,0,0,0,0,0|0,1,1]=2 31 B9R0.45 CCCCCCCCC[Zn+] H58604 [0,0,0,0,0,0|1,0,1]=2 32 B9R0.45 CCCCCCCCNC L18639 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.45 CCCCCCCN=C=O B21793 [0,0,0,0,0,0|1,0,1]=2 34 B9R0.45 CCCCCCCN=C=S L10866 [0,0,0,0,0,0|1,1,1]=3 35 B9R0.45 CCCCCCCNCC H65107 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.45 CCCCCCOCCO B22385 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.45 CCCCCC\C=C/CO A18842 [0,0,0,0,0,0|0,0,4]=4 38 B9R0.45 CCCCCC\C=C\C=O A18108 [0,0,0,0,0,0|0,0,2]=2 39 B9R0.45 CCCCC\C=C/CCO A17846 [0,0,0,0,0,0|0,0,4]=4 40 B9R0.45 CCCC\C=C\CCCC L10689 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.45 CCCNCCNCCC L04671 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.45 CCOCCCCOCC B25607 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.45 CC\C=C/CCCCC=O L08260 [0,0,0,0,0,0|0,0,2]=2 44 B9R0.45 CC\C=C/CCCCCO L08387 [0,0,0,0,0,0|0,0,4]=4 45 B9R0.45 CC\C=C/CC\C=C\C=O A18356 [0,0,0,0,0,0|0,0,4]=4 46 B9R0.45 COCCCCCCOC B25130 [0,0,0,0,0,0|3,0,0]=3 47 B8R0.4 C(CCCBr)CCC#N L05068 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.4 C(CCCCl)CCC#N L03997 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 C(CCCN)CCCN L02853 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.4 C(CCCO)CCCBr H54762 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.4 C(CCCO)CCCO L06384 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.4 C(CCC[Zn+])CCC#N H58022 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.4 C=CCCCCCC=C H53502 [1,0,0,0,0,0|0,0,3]=4 54 B8R0.4 C=CCCCCCCBr H64830 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCC#CCCC B21349 [1,0,0,0,0,0|0,0,3]=4 56 B8R0.4 CCCCC#CCCO L05414 [1,0,0,0,0,0|0,0,3]=4 57 B8R0.4 CCCCCC#CCCl H53452 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.4 CCCCCC#CCO L05596 [1,0,0,0,0,0|0,0,3]=4 59 B8R0.4 CCCCCCC#CC B23620 [1,0,0,0,0,0|0,0,3]=4 60 B8R0.4 CCCCCCCC#C B24263 [1,0,0,0,0,0|0,0,2]=3 61 B8R0.4 CCCCCCCC#N B23338 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.4 CCCCCCCC=O A10901 [1,0,0,0,0,0|0,0,0]=1 63 B8R0.4 CCCCCCCCBr A14722 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.4 CCCCCCCCC A16177 [1,0,0,0,0,0|0,0,1]=2 65 B8R0.4 CCCCCCCCCl L04358 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.4 CCCCCCCCI B22214 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.4 CCCCCCCCN B24193 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.4 CCCCCCCCO A15977 [1,0,0,0,0,0|0,0,1]=2 69 B8R0.4 CCCCCCCCO H36188 [1,0,0,0,0,0|0,0,1]=2 70 B8R0.4 CCCCCCCCS L07195 [1,0,0,0,0,0|0,1,0]=2 71 B8R0.4 CCCCCCCC[Mg+] H51174 [1,0,0,0,0,0|1,0,0]=2 72 B8R0.4 CCCCCCCC[O-] H37523 [1,0,0,0,0,0|0,0,1]=2 73 B8R0.4 CCCCCCCC[Zn+] H58444 [1,0,0,0,0,0|1,0,0]=2 74 B8R0.4 CCCCCCCNC H65794 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.4 CCCCCCN=C=S A12223 [1,0,0,0,0,0|1,1,1]=4 76 B8R0.4 CCCCCCOC=O L06226 [1,0,0,0,0,0|1,0,0]=2 77 B8R0.4 CCCCCSCCO B22772 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.4 CCCCC\C=C\C=O A18830 [1,0,0,0,0,0|0,0,2]=3 79 B8R0.4 CCCCC\C=C\CO A15960 [1,0,0,0,0,0|0,0,3]=4 80 B8R0.4 CCCCNCCCC A11671 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.4 CCCCOCCC#N L11342 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.4 CCCCOCCCC A16305 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.4 CCCCSCCCC L07599 [1,0,0,0,0,0|1,0,1]=3 84 B8R0.4 CCCC[N-]CCCC L08269 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.4 CCCC[NH2+]CCCC B20251 [1,0,0,0,0,0|1,0,1]=3 86 B8R0.4 CCCC[Sn+2]CCCC 14116 [1,0,0,0,0,0|1,0,1]=3 87 B8R0.4 CCCC[Sn+2]CCCC 14117 [1,0,0,0,0,0|1,0,1]=3 88 B8R0.4 CCCC[Sn+2]CCCC 18595 [1,0,0,0,0,0|1,0,1]=3 89 B8R0.4 CCCC[Sn+2]CCCC 39618 [1,0,0,0,0,0|1,0,1]=3 90 B8R0.4 CCCC[Sn+2]CCCC B23921 [1,0,0,0,0,0|1,0,1]=3 91 B8R0.4 CCCC[Sn+2]CCCC L14491 [1,0,0,0,0,0|1,0,1]=3 92 B8R0.4 CCCC\C=C/CCO A19014 [1,0,0,0,0,0|0,0,3]=4 93 B8R0.4 CCOCCOCCBr L08522 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.4 CCOCCOCCO A14670 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.4 CC\C=C/CCCCO A19454 [1,0,0,0,0,0|0,0,3]=4 96 B10R0.1 CCCCCCC(CCC)O B20866 [0,1,0,0,0,0|1,0,1]=3 97 B10R0.1 CCCCCC[C@@H](C)N=C=O L20244 [0,1,0,0,0,0|1,0,1]=3 98 B10R0.1 CCCCCC[C@@H](C)N=C=S L19984 [0,1,0,0,0,0|1,1,1]=4 99 B10R0.1 CCCCCC[C@H](C)N=C=O L20245 [0,1,0,0,0,0|1,0,1]=3 100 B10R0.1 CCCCCC[C@H](C)N=C=S L19985 [0,1,0,0,0,0|1,1,1]=4 101 B10R0.4 B(CCCCCCCC)(O)O L19964 [0,1,0,0,0,0|1,0,1]=3 102 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [0,1,0,0,0,0|1,0,0]=2 103 B10R0.4 C(CCCC(=O)O)CCCN A17353 [0,1,0,0,0,0|1,0,0]=2 104 B10R0.4 CCCCCCCCC(=O)C A14145 [0,1,0,0,0,0|0,0,0]=1 105 B10R0.4 CCCCCCCCC(=O)Cl A17671 [0,1,0,0,0,0|0,0,0]=1 106 B10R0.4 CCCCCCCCC(=O)O B21568 [0,1,0,0,0,0|0,0,0]=1 107 B10R0.4 CCCCCCCCC(C)O L05688 [0,1,0,0,0,0|0,0,2]=3 108 B10R0.4 CCCCCCCCN(C)C A12546 [0,1,0,0,0,0|2,0,0]=3 109 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [0,1,0,0,0,0|0,0,2]=3 110 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,1,0,0,0,0|0,0,2]=3 111 B10R0.4 CCCCOCCOC(=O)C L09515 [0,1,0,0,0,0|2,0,0]=3 112 B10R0.71 C(CCCC#N)CCCC#N A19372 [0,1,0,0,0,0|1,0,2]=4 113 B10R0.71 C(CCCCBr)CCCCBr A14324 [0,1,0,0,0,0|1,0,1]=3 114 B10R0.71 C(CCCCCl)CCCCCl H64561 [0,1,0,0,0,0|1,0,1]=3 115 B10R0.71 C(CCCCN)CCCCN L02043 [0,1,0,0,0,0|1,0,1]=3 116 B10R0.71 C(CCCCO)CCCCBr H61393 [0,1,0,0,0,0|0,0,2]=3 117 B10R0.71 C(CCCCO)CCCCO L06336 [0,1,0,0,0,0|0,0,2]=3 118 B10R0.71 C(CCCCS)CCCCS L07172 [0,1,0,0,0,0|0,1,1]=3 119 B10R0.71 C(CCCl)COCCCCCl L17055 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.71 C=CCCCCCCCCO A19490 [0,1,0,0,0,0|1,0,0]=2 121 B10R0.71 CCC#CCCCCCCCl B21556 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.71 CCCCC#CCCCCO H53400 [0,1,0,0,0,0|0,0,3]=4 123 B10R0.71 CCCCCCC#CCCO B20837 [0,1,0,0,0,0|0,0,3]=4 124 B10R0.71 CCCCCCCC#CCC B21753 [0,1,0,0,0,0|1,0,2]=4 125 B10R0.71 CCCCCCCC#CCO L05523 [0,1,0,0,0,0|0,0,3]=4 126 B10R0.71 CCCCCCCCCC#C L02883 [0,1,0,0,0,0|1,0,1]=3 127 B10R0.71 CCCCCCCCCC#N A18798 [0,1,0,0,0,0|1,0,1]=3 128 B10R0.71 CCCCCCCCCC=C H53387 [0,1,0,0,0,0|1,0,0]=2 129 B10R0.71 CCCCCCCCCC=O A11656 [0,1,0,0,0,0|0,0,0]=1 130 B10R0.71 CCCCCCCCCCBr A11340 [0,1,0,0,0,0|1,0,1]=3 131 B10R0.71 CCCCCCCCCCC 31807 [0,1,0,0,0,0|1,0,1]=3 132 B10R0.71 CCCCCCCCCCI A16173 [0,1,0,0,0,0|1,0,1]=3 133 B10R0.71 CCCCCCCCCCO A17288 [0,1,0,0,0,0|0,0,2]=3 134 B10R0.71 CCCCCCCCCCS A15913 [0,1,0,0,0,0|0,1,1]=3 135 B10R0.71 CCCCCCCCCC[Zn+] H58155 [0,1,0,0,0,0|1,0,1]=3 136 B10R0.71 CCCCCCCCN=C=O L18746 [0,1,0,0,0,0|0,0,1]=2 137 B10R0.71 CCCCCCCCN=C=S A14501 [0,1,0,0,0,0|0,1,1]=3 138 B10R0.71 CCCCCCC\C=C\C=O L05901 [0,1,0,0,0,0|0,0,1]=2 139 B10R0.71 CCCCCSCCCCC L04649 [0,1,0,0,0,0|1,0,1]=3 140 B10R0.71 CCCCC\C=C/CCC=O L06382 [0,1,0,0,0,0|0,0,1]=2 141 B10R0.71 CCCCC\C=C/CCCO A18311 [0,1,0,0,0,0|0,0,3]=4 142 B10R0.71 CCCCC\C=C\C=C\C=O L06103 [0,1,0,0,0,0|0,0,3]=4 143 B10R0.71 CCCCC\C=C\CCC=O L05715 [0,1,0,0,0,0|0,0,1]=2 144 B10R0.71 CCCCOCCOCCO A16068 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.71 CCCC\C=C\CCCCO L11768 [0,1,0,0,0,0|0,0,3]=4 146 B10R0.74 CCCCCCCC(=O)CC B20909 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.74 CCCCCCCC(=O)OC A10991 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.74 CCCCCCCC(CC)O B24141 [0,1,0,0,0,0|1,0,1]=3 149 B10R0.74 CCCCCCOC(=O)C=C L09905 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.4 CCOC1CCCCC1=O H27613 [0,0,0,1,0,0|1,0,0]=2 151 B10R1.17 C1CCC(CC1)CN=C=S L10129 [0,0,0,1,0,0|1,1,1]=4 152 B10R1.17 C1CCC(CC1)NCCO L10821 [0,0,0,1,0,0|1,0,2]=4 153 B10R1.17 C1CCN(CC1)CCC#N L01469 [0,0,0,1,0,0|2,0,1]=4 154 B10R1.17 C=CCOC1CCCCO1 H56114 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.17 CCCCC1CCCCC1 L08845 [0,0,0,1,0,0|1,0,1]=3 156 B10R1.19 C=CN1CCCCCC1=O B21311 [0,0,0,1,0,0|1,0,2]=4 157 B10R1.20 CN[C@H]1CCCC[C@@H]1NC H64396 [0,0,0,1,0,0|3,0,0]=4 158 B10R1.21 C1CCN(C1)CCCCN H50323 [0,0,0,1,0,0|2,0,1]=4 159 B10R1.78 C1CCCC(=O)NCCC1 A18621 [0,0,0,1,0,0|1,0,0]=2 160 B10R1.85 C1CCCC(CC1)CCCl B21604 [0,0,0,1,0,0|1,0,1]=3 161 B10R1.85 C1CCCN(CC1)CCCl L01833 [0,0,0,1,0,0|2,0,1]=4 162 B10R1.85 C1CCCN(CC1)CCO L06497 [0,0,0,1,0,0|1,0,2]=4 163 B10R1.161 C1CCCC(=NO)CCC1 A16672 [0,0,0,1,0,0|1,0,2]=4 164 B10R1.161 C1CCCC(CCC1)CO B20450 [0,0,0,1,0,0|0,0,2]=3 165 B7R0.1 C(CCCBr)CCBr A13417 [2,0,0,0,0,0|2,0,0]=4 166 B7R0.1 C(CCCBr)CCCl B21619 [2,0,0,0,0,0|2,0,0]=4 167 B7R0.1 C(CCCBr)CCO B21803 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.1 C(CCCCl)CCCl B21763 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.1 C(CCCCl)CCO A14582 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.1 C(CCCI)CCCl L05198 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.1 C(CCCI)CCI A15368 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.1 C(CCCN)CCN A14212 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.1 C(CCCO)CCN L14157 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.1 C(CCCO)CCO A12439 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.1 C(CCCS)CCS L06686 [2,0,0,0,0,0|1,1,0]=4 176 B7R0.1 C(CCC[Zn+])CCCl H58330 [2,0,0,0,0,0|2,0,0]=4 177 B7R0.1 C=CCCCCCBr H64127 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.1 CCCC#CCCC 43157 [2,0,0,0,0,0|0,0,2]=4 179 B7R0.1 CCCCCC#CC A10197 [2,0,0,0,0,0|0,0,2]=4 180 B7R0.1 CCCCCCC#C A12440 [2,0,0,0,0,0|0,0,2]=4 181 B7R0.1 CCCCCCC#N A12326 [2,0,0,0,0,0|1,0,1]=4 182 B7R0.1 CCCCCCC=C A11146 [2,0,0,0,0,0|0,0,1]=3 183 B7R0.1 CCCCCCC=O B23830 [2,0,0,0,0,0|0,0,0]=2 184 B7R0.1 CCCCCCCBr A14031 [2,0,0,0,0,0|1,0,0]=3 185 B7R0.1 CCCCCCCC A13181 [2,0,0,0,0,0|0,0,0]=2 186 B7R0.1 CCCCCCCI B24206 [2,0,0,0,0,0|1,0,0]=3 187 B7R0.1 CCCCCCCN A17922 [2,0,0,0,0,0|1,0,0]=3 188 B7R0.1 CCCCCCCO A12793 [2,0,0,0,0,0|0,0,1]=3 189 B7R0.1 CCCCCCCS L07079 [2,0,0,0,0,0|0,1,0]=3 190 B7R0.1 CCCCCCC[Mg+] H51173 [2,0,0,0,0,0|1,0,0]=3 191 B7R0.1 CCCCCCC[Zn+] H58840 [2,0,0,0,0,0|1,0,0]=3 192 B7R0.1 CCCCCCOC A17207 [2,0,0,0,0,0|1,0,0]=3 193 B7R0.1 CCCCCN=C=O L13399 [2,0,0,0,0,0|1,0,1]=4 194 B7R0.1 CCCCC\C=C\C L03862 [2,0,0,0,0,0|0,0,2]=4 195 B7R0.1 CCCCC\C=C\C L12606 [2,0,0,0,0,0|0,0,2]=4 196 B7R0.1 CCCCNCCN L13437 [2,0,0,0,0,0|2,0,0]=4 197 B7R0.1 CCCCOCC=C H53408 [2,0,0,0,0,0|1,0,1]=4 198 B7R0.1 CCCCOCCO A17976 [2,0,0,0,0,0|1,0,1]=4 199 B7R0.1 CCCC\C=C\CC 43154 [2,0,0,0,0,0|0,0,2]=4 200 B7R0.1 CCCSSCCC L09881 [2,0,0,0,0,0|2,0,0]=4 201 B7R0.1 CCC\C=C/CCC 43156 [2,0,0,0,0,0|0,0,2]=4 202 B7R0.1 CCC\C=C\CCC 43155 [2,0,0,0,0,0|0,0,2]=4 203 B7R0.1 CCNCCNCC A17113 [2,0,0,0,0,0|2,0,0]=4 204 B7R0.1 CCOCCOCC L14283 [2,0,0,0,0,0|2,0,0]=4 205 B9R0.2 C(CCCN)CCC(=O)O H27519 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.2 CC(=O)OCCCCCBr A15549 [1,1,0,0,0,0|2,0,0]=4 207 B9R0.2 CC(=O)OCCCCCCl A11111 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.2 CCCCCC#CC(=O)O B21957 [1,1,0,0,0,0|0,0,2]=4 209 B9R0.2 CCCCCCCC(=O)C A11781 [1,1,0,0,0,0|0,0,0]=2 210 B9R0.2 CCCCCCCC(=O)Cl L03526 [1,1,0,0,0,0|0,0,0]=2 211 B9R0.2 CCCCCCCC(=O)O A11149 [1,1,0,0,0,0|0,0,0]=2 212 B9R0.2 CCCCCCCC(=O)[O-] 39371 [1,1,0,0,0,0|0,0,0]=2 213 B9R0.2 CCCCCCCC(=O)[O-] 39479 [1,1,0,0,0,0|0,0,0]=2 214 B9R0.2 CCCCCCCC(=O)[O-] 39825 [1,1,0,0,0,0|0,0,0]=2 215 B9R0.2 CCCCCCCC(=O)[O-] A13451 [1,1,0,0,0,0|0,0,0]=2 216 B9R0.2 CCCCCCCC(C)Br L07387 [1,1,0,0,0,0|0,0,1]=3 217 B9R0.2 CCCCCCCC(C)C B20849 [1,1,0,0,0,0|0,0,1]=3 218 B9R0.2 CCCCCCCC(C)O L06310 [1,1,0,0,0,0|0,0,1]=3 219 B9R0.2 CCCCCCC[C@@H](C)N L19310 [1,1,0,0,0,0|0,0,1]=3 220 B9R0.2 CCCCCCC[C@H](C)N L19311 [1,1,0,0,0,0|0,0,1]=3 221 B9R0.2 CCCCCCNC(=S)N B21686 [1,1,0,0,0,0|1,1,0]=4 222 B9R0.2 CCCCCCOC(=O)C L06342 [1,1,0,0,0,0|1,0,0]=3 223 B9R0.2 CCCCC\C=C\C(=O)C A19084 [1,1,0,0,0,0|0,0,2]=4 224 B9R0.2 CCCCC\C=C\C(=O)O L02058 [1,1,0,0,0,0|0,0,2]=4 225 B9R0.5 CCCCCC(=O)CCC A15050 [1,1,0,0,0,0|0,0,2]=4 226 B9R0.5 CCCCCC(CC=C)O B20284 [1,1,0,0,0,0|0,0,1]=3 227 B9R0.5 CCCCCC(CCC)O A19496 [1,1,0,0,0,0|0,0,1]=3 228 B9R0.5 CCCCC[C@@H](C)N=C=O L20232 [1,1,0,0,0,0|1,0,1]=4 229 B9R0.18 CCCCC(=O)CCCC A13722 [1,1,0,0,0,0|0,0,2]=4 230 B9R0.18 CCCCC(CCCC)O L05812 [1,1,0,0,0,0|0,0,1]=3 231 B9R0.18 CCCCS(=O)CCCC B23672 [1,1,0,0,0,0|1,0,1]=4 232 B9R0.46 CCCCCCC(=O)CC A19878 [1,1,0,0,0,0|0,0,2]=4 233 B9R0.46 CCCCCCC(C=C)O L06889 [1,1,0,0,0,0|0,0,1]=3 234 B9R0.46 CCCCCCC(CC)O A19120 [1,1,0,0,0,0|0,0,1]=3 235 B9R0.46 CCCCCCC(CO)O L08031 [1,1,0,0,0,0|0,0,1]=3 236 B11R0.4 CCCCCCCC(=O)CCC B20135 [0,2,0,0,0,0|1,0,1]=4 237 B11R0.4 CCCCCCC[C@@H](C)N=C=O L20236 [0,2,0,0,0,0|0,0,1]=3 238 B11R0.4 CCCCCCC[C@@H](C)N=C=S L19982 [0,2,0,0,0,0|0,1,1]=4 239 B11R0.4 CCCCCCC[C@H](C)N=C=O L20243 [0,2,0,0,0,0|0,0,1]=3 240 B11R0.4 CCCCCCC[C@H](C)N=C=S L19983 [0,2,0,0,0,0|0,1,1]=4 241 B11R0.81 CCCCCCC(=O)CCCC B20336 [0,2,0,0,0,0|1,0,1]=4 242 B11R0.81 CCCCCCC(=O)OCC=C L10671 [0,2,0,0,0,0|1,0,1]=4 243 B11R0.81 CCCCCCC(CCCC)O L04019 [0,2,0,0,0,0|1,0,1]=4 244 B11R0.142 CCCCCCC(C(C)CC)O B20050 [0,2,0,0,0,0|1,0,1]=4 245 B11R0.155 CCCCCC(C(C)CCC)O B20264 [0,2,0,0,0,0|1,0,1]=4 246 B11R0.176 CCOC(=O)CCCCC(=O)O B24006 [0,2,0,0,0,0|1,0,1]=4 247 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl B24580 [0,2,0,0,0,0|1,0,1]=4 248 B11R0.30 C(CCCC(=O)O)CCC(=O)O A13963 [0,2,0,0,0,0|1,0,1]=4 249 B11R0.30 CC(=O)NCCCCCC(=O)O B23623 [0,2,0,0,0,0|1,0,1]=4 250 B11R0.40 CCCCCCC#CC(=O)OC B21409 [0,2,0,0,0,0|0,0,2]=4 251 B11R0.40 CCCCCCCCC(=O)CC B21007 [0,2,0,0,0,0|0,0,0]=2 252 B11R0.40 CCCCC\C=C\CC(=O)OC A19288 [0,2,0,0,0,0|0,0,2]=4 253 B11R0.42 CCCCCCCC(C)C(=O)O H30430 [0,2,0,0,0,0|0,0,0]=2 254 B11R0.46 CCCCCC(C)CCC(=O)O A15528 [0,2,0,0,0,0|0,0,0]=2 255 B11R0.46 CCCCOC(=O)CCC(=O)C H59274 [0,2,0,0,0,0|1,0,1]=4 256 B11R0.148 CCCCCCCCCC(=O)C A17659 [0,2,0,0,0,0|0,0,0]=2 257 B11R0.148 CCCCCCCCCC(=O)Cl A19486 [0,2,0,0,0,0|0,0,0]=2 258 B11R0.148 CCCCCCCCCC(=O)O A14788 [0,2,0,0,0,0|0,0,0]=2 259 B11R0.148 CCCCCCCCCC(C)C A14235 [0,2,0,0,0,0|1,0,1]=4 260 B11R0.148 CCCCCCCCCC(C)O A14441 [0,2,0,0,0,0|0,0,2]=4 261 B11R0.148 CCCCCCCCOC(=O)C L06405 [0,2,0,0,0,0|0,0,0]=2 262 B11R0.148 CCOCCOCCOC(=O)C L13446 [0,2,0,0,0,0|2,0,0]=4 263 B11R0.159 CCCCCCCCP(=O)(Cl)Cl L18587 [0,2,0,0,0,0|1,0,0]=3 264 B11R0.159 CCCCCCCCP(=O)(O)O 20651 [0,2,0,0,0,0|1,0,0]=3 265 B11R0.159 CCCCCCCCP(=O)(O)O L18586 [0,2,0,0,0,0|1,0,0]=3 266 B11R0.159 CCCCCCCCS(=O)(=O)Cl A15440 [0,2,0,0,0,0|1,0,0]=3 267 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 15764 [0,2,0,0,0,0|1,0,0]=3 268 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 42636 [0,2,0,0,0,0|1,0,0]=3 269 B11R0.159 CCCCCCCCS(=O)(=O)[O-] A14292 [0,2,0,0,0,0|1,0,0]=3 270 B11R0.159 CCCCCCCC[N+](C)(C)C L08610 [0,2,0,0,0,0|2,0,0]=4 271 B11R0.159 CCCCCCCC[Si](C)(C)Cl L16564 [0,2,0,0,0,0|1,1,0]=4 272 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl L16565 [0,2,0,0,0,0|1,1,0]=4 273 B11R0.159 CCCCCCCC[Si](Cl)(Cl)Cl B23753 [0,2,0,0,0,0|1,1,0]=4 274 B11R0.159 CCCCCCCOS(=O)(=O)[O-] B22104 [0,2,0,0,0,0|2,0,0]=4 275 B11R0.3 C#CCCCCCCCCCO L11807 [0,2,0,0,0,0|0,0,2]=4 276 B11R0.3 C(CCCCC#N)CCCC#N B23010 [0,2,0,0,0,0|1,0,1]=4 277 B11R0.3 C(CCCCCBr)CCCCBr A12357 [0,2,0,0,0,0|1,0,1]=4 278 B11R0.3 C(CCCCCBr)CCCCO B21483 [0,2,0,0,0,0|0,0,2]=4 279 B11R0.3 C(CCCCCI)CCCCI A10803 [0,2,0,0,0,0|1,0,1]=4 280 B11R0.3 C(CCCCCO)CCCCO A13923 [0,2,0,0,0,0|0,0,2]=4 281 B11R0.3 C(CCCCCS)CCCCS L11064 [0,2,0,0,0,0|0,1,1]=4 282 B11R0.3 C=CCCCCCCCCCBr B21849 [0,2,0,0,0,0|1,0,0]=3 283 B11R0.3 C=CCCCCCCCCCCl H53449 [0,2,0,0,0,0|1,0,0]=3 284 B11R0.3 C=CCCCCCCCCCO A14002 [0,2,0,0,0,0|1,0,0]=3 285 B11R0.3 CCCCCC#CCCCCC L11262 [0,2,0,0,0,0|1,0,1]=4 286 B11R0.3 CCCCCCCCCCC#C L02977 [0,2,0,0,0,0|1,0,1]=4 287 B11R0.3 CCCCCCCCCCC=C A14992 [0,2,0,0,0,0|1,0,0]=3 288 B11R0.3 CCCCCCCCCCC=O A16101 [0,2,0,0,0,0|0,0,0]=2 289 B11R0.3 CCCCCCCCCCCBr A14333 [0,2,0,0,0,0|1,0,1]=4 290 B11R0.3 CCCCCCCCCCCC 31324 [0,2,0,0,0,0|1,0,1]=4 291 B11R0.3 CCCCCCCCCCCC A14834 [0,2,0,0,0,0|1,0,1]=4 292 B11R0.3 CCCCCCCCCCCO A17817 [0,2,0,0,0,0|0,0,2]=4 293 B11R0.3 CCCCCCCCCCSC L05473 [0,2,0,0,0,0|0,1,1]=4 294 B11R0.3 CCCCCCCCCN=C=S L10066 [0,2,0,0,0,0|0,1,1]=4 295 B11R0.3 CCCCCCCC\C=C\C=O L06437 [0,2,0,0,0,0|0,0,0]=2 296 B11R0.3 CCCCCCCC\C=C\CO A19698 [0,2,0,0,0,0|0,0,1]=3 297 B11R0.3 CCCCCC\C=C\C=C\C=O A13419 [0,2,0,0,0,0|0,0,2]=4 298 B11R0.3 CC\C=C\CCCCCCC=O A17561 [0,2,0,0,0,0|0,0,0]=2 299 B9R1.5 CN1CCCCCC1=O A17776 [1,0,0,1,0,0|1,0,0]=3 300 B9R1.8 C#CCC1CCCCC1 B20505 [1,0,0,1,0,0|0,0,2]=4 301 B9R1.8 C1CCC(=CC1)CCN L08261 [1,0,0,1,0,0|1,0,1]=4 302 B9R1.8 C1CCC(CC1)CCBr L09466 [1,0,0,1,0,0|1,0,0]=3 303 B9R1.8 C1CCC(CC1)CCN H27987 [1,0,0,1,0,0|1,0,0]=3 304 B9R1.8 C1CCC(CC1)CCN H35368 [1,0,0,1,0,0|1,0,0]=3 305 B9R1.8 C1CCC(CC1)CCO B20782 [1,0,0,1,0,0|0,0,1]=3 306 B9R1.8 C1CCC(CC1)CC[Zn+] H58193 [1,0,0,1,0,0|1,0,0]=3 307 B9R1.8 C1CCC(CC1)N=C=O B23059 [1,0,0,1,0,0|1,0,1]=4 308 B9R1.8 C1CCN(CC1)CCCl B22985 [1,0,0,1,0,0|2,0,0]=4 309 B9R1.8 C1CCN(CC1)CCN A18373 [1,0,0,1,0,0|2,0,0]=4 310 B9R1.8 C1CCN(CC1)CCO B23816 [1,0,0,1,0,0|1,0,1]=4 311 B9R1.8 C=CCC1CCCCC1 L00946 [1,0,0,1,0,0|0,0,1]=3 312 B9R1.8 C=CCN1CCCCC1 L12312 [1,0,0,1,0,0|1,0,1]=4 313 B9R1.8 CCCC1CCNCC1 H25848 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.8 CCNC1CCCCC1 L14221 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.12 C1CCN(C1)CCCN L04739 [1,0,0,1,0,0|2,0,0]=4 316 B9R1.14 CCN1CCC[C@@H]1CN H57638 [1,0,0,1,0,0|2,0,0]=4 317 B9R1.14 CCN1CCC[C@H]1CN H57137 [1,0,0,1,0,0|2,0,0]=4 318 B9R1.15 CCC1CCCCC1=O B20748 [1,0,0,1,0,0|0,0,0]=2 319 B9R1.15 CN1CCCCC1CO B22187 [1,0,0,1,0,0|1,0,1]=4 320 B9R1.15 CO[C@H]1CCCC[C@@H]1O L19065 [1,0,0,1,0,0|1,0,1]=4 321 B9R1.50 C1CCCC(=O)CCC1 B20911 [1,0,0,1,0,0|0,0,0]=2 322 B9R1.50 C1CCCC(CCC1)Br B24839 [1,0,0,1,0,0|1,0,0]=3 323 B9R1.50 C1CCCC(CCC1)N L00981 [1,0,0,1,0,0|1,0,0]=3 324 B9R1.50 C1CCCC(CCC1)O A17825 [1,0,0,1,0,0|0,0,1]=3 325 B9R1.83 C=CCCCCC1CO1 L07033 [1,0,0,1,0,0|1,0,1]=4 326 B9R1.83 CCCCCCC1CO1 B21463 [1,0,0,1,0,0|0,0,1]=3 327 B9R1.83 CCCCOCC1CO1 L16201 [1,0,0,1,0,0|1,0,1]=4 328 B9R1.89 C1CCCC(CC1)C#N H25804 [1,0,0,1,0,0|1,0,1]=4 329 B9R1.89 C1CCCC(CC1)CN L14659 [1,0,0,1,0,0|1,0,0]=3 330 B9R1.89 C1CNCCN(C1)C=O L17575 [1,0,0,1,0,0|2,0,0]=4 331 B9R1.89 CNC1CCCCCC1 H66044 [1,0,0,1,0,0|1,0,1]=4 332 B11R1.16 CCCC(C1CCCCC1)O B20090 [0,1,0,1,0,0|1,0,1]=4 333 B11R1.16 C[C@@H](C1CCCCC1)N=C=O L20229 [0,1,0,1,0,0|1,0,1]=4 334 B11R1.16 C[C@H](C1CCCCC1)N=C=O L20228 [0,1,0,1,0,0|1,0,1]=4 335 B11R1.16 C\C=C\C(C1CCCCC1)O B20501 [0,1,0,1,0,0|1,0,1]=4 336 B11R1.24 CCCCC1CCCC(=O)O1 L14122 [0,1,0,1,0,0|0,0,0]=2 337 B11R1.117 C1CCCC(CCC1)N=C=S L13002 [0,1,0,1,0,0|0,1,1]=4 338 B11R1.199 CCOC(=O)C1CCCC1=O L04528 [0,1,0,1,0,0|1,0,1]=4 339 B11R1.91 C1CCC(CC1)CCC(=O)O B23613 [0,1,0,1,0,0|0,0,0]=2 340 B11R1.91 C1CNCCC1OCC(=O)N H50928 [0,1,0,1,0,0|2,0,0]=4 341 B11R1.91 C1COCCN1CCC(=O)O H35846 [0,1,0,1,0,0|2,0,0]=4 342 B11R1.99 CCCCCCCCC1CO1 L07289 [0,1,0,1,0,0|0,0,2]=4 343 B11R1.143 CC(=O)N1CCCCCC1=O A18257 [0,1,0,1,0,0|1,0,1]=4 344 B11R1.742 C1CCCC(CC1)CC(=O)O L15553 [0,1,0,1,0,0|0,0,0]=2 345 B11R1.17 C1CCC(=O)C(C1)CCC#N H50722 [0,1,0,1,0,0|0,0,1]=3 346 B11R1.28 C1CCC(CC1)NCCCN L11250 [0,1,0,1,0,0|1,0,1]=4 347 B11R1.28 CCCCCC1CCCCC1 B21326 [0,1,0,1,0,0|1,0,1]=4 348 B11R1.222 CCC(C)C1CCCCC1=O L07031 [0,1,0,1,0,0|0,0,0]=2 349 B11R1.756 CCCCCC1(CCCC1)O B20536 [0,1,0,1,0,0|1,0,1]=4 350 B11R1.900 CCCCC1(CCCCC1)O B20579 [0,1,0,1,0,0|1,0,1]=4 351 B11R2.20 C1CCC2CCCCC2C1 A13883 [0,0,0,2,0,0|1,0,1]=4