0 B8R0.22 CCN(CCO)CCO 338010 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 CCCC(C)N=C=S 009558 [1,0,0,0,0,0|1,1,1]=4 2 B7R0.7 CCCC(C)SC#N 024162 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.7 CCCC(N)CCC 144200 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.7 CCOC(C)OCC 358253 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.7 CN(CCO)CCO 358284 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.12 CCN(CC)CCBr 386920 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.12 CCN(CC)CCCl 094441 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.12 CCN(CC)CCN 236769 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.12 CCN(CC)CCO 098859 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.12 CCN(CC)CCO 099634 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.12 CCN(CC)CCS 099179 [1,0,0,0,0,0|2,1,0]=4 12 B7R0.12 CNCC(OC)OC 240321 [1,0,0,0,0,0|2,1,0]=4 13 B7R0.12 COC(CCBr)OC 046744 [1,0,0,0,0,0|2,1,0]=4 14 B7R0.12 COCC(OC)OC 152900 [1,0,0,0,0,0|2,1,0]=4 15 B9R0.15 CCCC(CCC)C(=O)O 386761 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.17 CCCN(CCC)CCC 098920 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.17 CCOC(CCO)OCC 237775 [0,1,0,0,0,0|1,1,0]=3 18 B9R0.17 OCCN(CCO)CCO 242387 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.2 CCN1CCCC(O)C1 219023 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.8 BrCCC1CCCCC1 220157 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.8 BrCCC1OCCCO1 049759 [0,0,0,1,0,0|2,1,0]=4 22 B9R1.8 C#CCC1CCCCC1 009112 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.8 CCNC1CCCCC1 078851 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.8 CNCC1CCCCC1 359898 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 ClCCN1CCCCC1 079109 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.8 ClCCN1CCOCC1 079579 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.8 ClCCN1CCOCC1 209973 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.8 ICCC1CCCCC1 101668 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.8 NCCC1=CCCCC1 233674 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.8 NCCN1CCCCC1 222040 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.8 NCCN1CCOCC1 036218 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.8 O=CCC1CCOCC1 208751 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.8 OCCC1CCCCC1 225442 [0,0,0,1,0,0|1,0,0]=2 34 B9R1.8 OCCC1CCCCN1 049886 [0,0,0,1,0,0|1,0,0]=2 35 B9R1.8 OCCC1CCCCO1 309652 [0,0,0,1,0,0|0,1,0]=2 36 B9R1.8 OCCC1CCNCC1 005101 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.8 OCCC1CCOCC1 067744 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.8 OCCN1CCCCC1 237773 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.8 OCCN1CCNCC1 005136 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.8 OCCN1CCOCC1 079380 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.14 CCN1CCCC1CN 035937 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.14 CCN1CCC[C@H]1CN 208756 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.14 O=CN1CCC[C@H]1CO 103549 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.33 CN1CCCC1CCN 040058 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.33 CN1CCCC1CCO 068968 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.33 O=C1CCCN1CCO 068970 [0,0,0,1,0,0|3,0,0]=4 47 B6R0.1 C(=O)CC(C)SC 002806 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.1 C=CC(O)CCC 241561 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.1 CCC(N)CCN 479098 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 CCC(N)COC 046850 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 CCC(O)COC 375173 [2,0,0,0,0,0|1,1,0]=4 52 B6R0.1 CCCC(C)C=O 520881 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.1 CCCC(O)CO 242929 [2,0,0,0,0,0|0,1,0]=3 54 B6R0.1 CNCC(O)CO 208621 [2,0,0,0,0,0|1,1,0]=4 55 B6R0.1 C[C@@H](CO)CCN 103282 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.6 BrCCCCCBr 001044 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.6 C#CCCCCC 144400 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 C#CCCCCO 145808 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.6 C=CCCCCO 078461 [2,0,0,0,0,0|0,0,2]=4 60 B6R0.6 CCC#CCCO 145806 [2,0,0,0,0,0|0,0,2]=4 61 B6R0.6 CCCC#CCO 145805 [2,0,0,0,0,0|0,0,2]=4 62 B6R0.6 CCCCCC#N 002444 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCCCCC=O 094968 [2,0,0,0,0,0|0,0,2]=4 64 B6R0.6 CCCCCCBr 098897 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.6 CCCCCCC 044743 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.6 CCCCCCC 099896 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.6 CCCCCCC 107019 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.6 CCCCCCC 995188 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.6 CCCCCCN 094631 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.6 CCCCCCO 349294 [2,0,0,0,0,0|0,0,0]=2 71 B6R0.6 CCCCCCS 145400 [2,0,0,0,0,0|0,1,0]=3 72 B6R0.6 CCCCCNC 056875 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.6 CCCCNCC 097790 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.6 CCCNCCC 102049 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.6 CCCNCCN 050965 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 CCCNCCO 069279 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.6 CCCOCCN 038577 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.6 CCNCCCN 544204 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.6 CCNCCCO 387141 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.6 CCOCCCN 097753 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.6 CC\C=C/CCO 240925 [2,0,0,0,0,0|0,0,2]=4 82 B6R0.6 CNCCCCO 239842 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.6 COCCCCBr 079657 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.6 COCCCCO 236682 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.6 CSCCCCO 035889 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.6 C\C=C\CCCO 433438 [2,0,0,0,0,0|0,0,2]=4 87 B6R0.6 ClCCCCCBr 002448 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.6 ClCCCCCCl 101915 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.6 ClCCCCCI 098274 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.6 FCCCCCBr 218989 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.6 ICCCCCI 239847 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.6 NCCCCCN 208616 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.6 NCCCCCO 463575 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.6 NCCNCCO 245937 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.6 NCCOCCO 336044 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.6 OCCCCCBr 079429 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.6 OCCCCCCl 008844 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.6 OCCCCCO 240419 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.6 OCCNCCO 099502 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.6 OCCNCCO 103514 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.6 OCCNCCO 234996 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.6 OCCOCCCl 241221 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.6 OCCOCCO 044689 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.6 OCCSCCO 095104 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.9 CCC(C=O)CC 245909 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.9 CCC(CC)CO 093975 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.9 CCC(CC)NN 047022 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.9 CCC(CN)OC 041816 [2,0,0,0,0,0|1,1,0]=4 109 B6R0.9 CCN(CC)CC 003029 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.9 CCN(CC)CC 005055 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.9 CCN(CC)CC 005055 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.9 CCN(CC)CC 005055 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.9 CCN(CC)CC 102572 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.9 CCN(CC)CC 104858 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.9 CCN(CC)CC 105729 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.9 CCN(CC)CC 173850 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.9 CCP(CC)CC 101862 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.9 CC[SiH](CC)CC 005243 [2,0,0,0,0,0|1,1,0]=4 119 B8R0.11 CCCCC(C=O)CC 106312 [1,1,0,0,0,0|2,0,0]=4 120 B8R0.11 CCCCC(CC)CBr 023235 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.11 CCCCC(CC)CN 099016 [1,1,0,0,0,0|2,0,0]=4 122 B8R0.11 CCCCC(CC)CO 240935 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.11 CCN(CC)CCCN 242895 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.11 CCN(CC)CCCO 050282 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.31 CCCC(C)(CO)CO 242643 [1,1,0,0,0,0|2,0,0]=4 126 B8R1.4 CC1CCCC(C)N1 092293 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 CC1CNCC(C)C1 214739 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 CN1CCCC(N)C1 024825 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 C[C@H]1CCC[C@@H](C)N1 102064 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 NC1CCCC(N)C1 011330 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.4 NC1CCCC(O)C1 070474 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.4 OC1CCCC(O)C1 538675 [1,0,0,1,0,0|0,1,0]=3 133 B8R1.8 C#CCC1CCCC1 099434 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.8 ClCCN1CCCC1 042886 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.8 NCCC1CCCC1 041854 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.8 NCCN1CCCC1 023294 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.8 OCCC1CCCC1 123900 [1,0,0,1,0,0|0,0,0]=2 138 B8R1.8 OCCN1CCCC1 219113 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.11 CN1CCCC1CN 043819 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.11 CN1CCC[C@@H]1CO 078678 [1,0,0,1,0,0|1,0,0]=3 141 B8R1.11 CN1CCC[C@H]1CO 208659 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.22 BrC1CCCCCC1 238778 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.22 CN1CCCNCC1 068998 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.22 NC1CCCCCC1 046759 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.22 OC1CCCCCC1 235579 [1,0,0,1,0,0|1,1,0]=4 146 B8R1.1 CCN1CCC(O)C1 068964 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.2 BrCC1CCCCC1 044195 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.2 BrCC1CCCCO1 067845 [1,0,0,1,0,0|1,1,0]=4 149 B8R1.2 BrCC1CCOCC1 037029 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.2 C#CC1CCCCC1 237953 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.2 CC=C1CCCCC1 105541 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.2 CCC1CCCCN1 238822 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.2 CCC1SCCCS1 104813 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.2 CCN1CCCCC1 180030 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.2 CCN1CCOCC1 242953 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.2 CNC1CCCCC1 221640 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.2 CNC1CCOCC1 016046 [1,0,0,1,0,0|1,0,0]=3 158 B8R1.2 COC1CCNCC1 029227 [1,0,0,1,0,0|1,1,0]=4 159 B8R1.2 COC1CCNCC1 046103 [1,0,0,1,0,0|1,1,0]=4 160 B8R1.2 N#CC1CCCCC1 243054 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.2 N#CC1CCOCC1 044654 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.2 NCC1CCCCC1 065546 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.2 NCC1CCCCN1 208655 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.2 NCC1CCOCC1 033055 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.2 NNC1CCCCC1 044302 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.2 O=CC1CCCCC1 050618 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.2 O=CC1CCOCC1 065305 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.2 OCC1CCCCC1 024256 [1,0,0,1,0,0|1,0,0]=3 169 B8R1.2 OCC1CCCCN1 078983 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.2 OCC1CCCCO1 067745 [1,0,0,1,0,0|0,1,0]=3 171 B8R1.2 OCC1CCCNC1 036329 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.2 OCC1CCNCC1 067749 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.2 OCC1CCOCC1 047969 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.2 OCC1COCCO1 225877 [1,0,0,1,0,0|1,1,0]=4 175 B8R1.2 OC[C@@H]1CCCCN1 230468 [1,0,0,1,0,0|1,0,0]=3 176 B8R1.2 OC[C@H]1CCCCN1 230469 [1,0,0,1,0,0|1,0,0]=3 177 B8R1.2 [C-]#[N+]C1CCCCC1 021021 [1,0,0,1,0,0|1,0,1]=4 178 B10R1.4 CCCC1CCCCC1O 104626 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.15 CC(CO)C1CCCCC1 239818 [0,1,0,1,0,0|1,0,0]=3 180 B10R1.15 N[C@@H](CO)C1CCCCC1 225989 [0,1,0,1,0,0|1,0,0]=3 181 B10R1.15 N[C@H](CO)C1CCCCC1 229936 [0,1,0,1,0,0|1,0,0]=3 182 B10R1.15 OCC(O)C1CCCCN1 032608 [0,1,0,1,0,0|1,0,0]=3 183 B10R1.10 CC1CCCC(CCO)N1 180144 [0,1,0,1,0,0|1,0,0]=3 184 B10R1.18 CC(O)CN1CCCCC1 180145 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.18 O=C(O)CC1CCCCC1 208902 [0,1,0,1,0,0|1,0,1]=4 186 B10R1.85 OCCN1CCCCCC1 403688 [0,1,0,1,0,0|2,0,0]=4 187 B10R1.1 CC1CCN(CCO)CC1 032573 [0,1,0,1,0,0|2,0,0]=4 188 B10R1.1 CN1CCN(CCO)CC1 021290 [0,1,0,1,0,0|2,0,0]=4 189 B10R1.17 CCCCC1CCNCC1 076847 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.17 NCCCN1CCOCC1 099669 [0,1,0,1,0,0|2,0,0]=4 191 B10R1.17 OCCCC1CCCCC1 240944 [0,1,0,1,0,0|1,0,0]=3 192 B10R1.17 OCCCC1CCCCN1 309005 [0,1,0,1,0,0|1,0,0]=3 193 B10R1.17 OCCCN1CCCCC1 321845 [0,1,0,1,0,0|2,0,0]=4 194 B10R1.17 OCCCN1CCOCC1 079623 [0,1,0,1,0,0|2,0,0]=4 195 B10R1.17 OCCNC1CCCCC1 094557 [0,1,0,1,0,0|1,0,0]=3 196 B10R1.17 OCCOC1CCCCO1 542337 [0,1,0,1,0,0|0,1,0]=3 197 B10R1.35 COC1C[C@H](O)[C@@H](CO)O1 450504 [0,1,0,1,0,0|1,1,0]=4 198 B10R2.62 O[C@H]1CN2CCC1CC2 208744 [0,0,0,2,0,0|2,0,0]=4 199 B10R2.71 [C@H]12CC[C@H](C[C@H](O)C1)N2 044312 [0,0,0,2,0,0|2,0,0]=4 200 B10R2.99 OCC1CC2C=CC1C2 005463 [0,0,0,2,0,0|1,0,1]=4 201 B10R2.109 C=CC1CCC2OC2C1 242917 [0,0,0,2,0,0|1,0,1]=4 202 B10R2.32 [C@@H]12CCO[C@@H]1OC[C@@H]2O 240783 [0,0,0,2,0,0|1,1,0]=4