0 B9R1.7 CN1CCC(C1)CCN PB18962 [0,0,0,1,0,0|3,0,0]=4 1 B9R1.7 CN1CCC(C1)CCO PB28645 [0,0,0,1,0,0|2,0,0]=3 2 B9R1.8 C#CCC1CCOCC1 AB85640 [0,0,0,1,0,0|1,0,2]=4 3 B9R1.8 C1CC(COC1)CCN MB05843 [0,0,0,1,0,0|3,0,0]=4 4 B9R1.8 C1CCC(CC1)CC#N AB02345 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.8 C1CCC(CC1)CC=O MB02401 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.8 C1CCC(CC1)CCN AB02346 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.8 C1CCC(CC1)CCN AB09885 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.8 C1CCC(CC1)CNN AB23600 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.8 C1CCOC(C1)CC#N MB05835 [0,0,0,1,0,0|1,1,1]=4 11 B9R1.8 C1CCOC(C1)CCN AB28415 [0,0,0,1,0,0|1,1,0]=3 12 B9R1.8 C1COCCC1CC#N AB21392 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.8 C1COCCC1CC=O PB20812 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 C1COCCC1CCBr AB52526 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.8 C1COCCC1CCI AB69545 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.8 C1COCCC1CCN AB14269 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.8 C1COCCC1CCN PB34023 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.8 C1COCCC1CCO PB27428 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 C1COCCN1CCI AB60701 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.8 CCCC1CNCCO1 AB70522 [0,0,0,1,0,0|2,1,0]=4 21 B9R1.8 CCCC1COCCN1 AB53847 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.8 CCOC1CCNCC1 AB30382 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.8 CNCC1CCCCO1 AB45928 [0,0,0,1,0,0|2,1,0]=4 24 B9R1.8 CNCC1CCNCC1 AB28325 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 CNCC1CCOCC1 PB32464 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.8 COCC1CCCCN1 MB02439 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.8 COCC1CCNCC1 PB18718 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB11831 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB12067 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.14 CCN1CCCC1CN PB19842 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.33 CN1CCCC1CCN AB00295 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.33 CN1CCC[C@H]1CCN PB31004 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.89 C1CC(CCNC1)C#N PB37104 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.89 COC1CCCNCC1 PB16681 [0,0,0,1,0,0|1,1,0]=3 38 B6R0.1 COCC(CO)N AB24949 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,1]=4 41 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|0,1,1]=4 42 B8R1.4 CC1CC(CCN1)O PB10241 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.4 CC1CC(CCO1)O PB22789 [1,0,0,1,0,0|0,1,0]=3 44 B8R1.4 CN1CCCC(C1)N PB12415 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.4 CN1CCCC(C1)O PB17042 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.4 CN1CCC[C@H](C1)N PB33333 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 CN1CCC[C@H](C1)O PB31692 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|0,1,1]=4 52 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|0,1,1]=4 56 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.6 CCOC1CC(C1)N PB35675 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.6 CN1CC(C1)CCO PB13968 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.8 C1CC(NC1)CCO CB10162 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.8 C1CC(NC1)CCO PB35354 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,1,0,0|1,1,0]=4 64 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,1,0,0|1,1,0]=4 65 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.8 C1COCC1CCI AB75456 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.8 C1COCC1CCN AB45457 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.8 CCO[C@H]1CCNC1 PB29117 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.8 COCC1CCNC1 PB18902 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.8 COC[C@@H]1CCNC1 PB35406 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.8 COC[C@H]1CCNC1 PB35853 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.11 CN1CCC[C@@H]1CN PB21275 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.11 CN1CCC[C@@H]1CO PB17412 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.11 CN1CCC[C@H]1CN PB34570 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|0,1,1]=4 82 B8R1.22 C1CC(CCNC1)F PB33307 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.22 C1CC(CCNC1)O PB18652 [1,0,0,1,0,0|1,1,0]=4 84 B8R1.22 C1CC(CCOC1)N AB70734 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.22 CC1CCNCCN1 PB17623 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.37 C1CC1C(CCO)N AB14427 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.66 C1C(CO1)(CCO)N PB37308 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.66 CC1(COC1)CCN AB76816 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.66 CC1(COC1)CCO PB30267 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.1 CN1CC[C@H](C1)CO PB31861 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.2 C#CC1CCCOC1 PB11321 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.2 C#CC1CCOCC1 PB24300 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.2 C1CC(COC1)CBr PB14565 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 C1CC(COC1)CN PB23481 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 C1CCOC(C1)CBr MB00206 [1,0,0,1,0,0|1,1,0]=4 100 B8R1.2 C1CCOC(C1)CN AB28292 [1,0,0,1,0,0|1,1,0]=4 101 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,1,0,0|0,1,0]=3 102 B8R1.2 C1CNCCC1CO PB10118 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.2 C1COCC(N1)CO AB17137 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.2 C1COCCC1C#N PB20297 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.2 C1COCCC1CBr PB20063 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.2 C1COCCC1CCl AB71513 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.2 C1COCCC1CI PB24898 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.2 C1COCCC1CN AB14272 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.2 C1COCCC1CN PB27569 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.2 C1COCCC1CO PB18487 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.2 C1COCCC1NN PB16645 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.2 C1COC[C@@H](N1)CO AB29968 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.2 C1CSCCC1CO PB28111 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.2 CCC1CNCCN1 AB13949 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.2 CCC1CNCCO1 AB49621 [1,0,0,1,0,0|1,1,0]=4 117 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.2 CNC1CCNCC1 PB15642 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.2 CNC1CCOCC1 PB29392 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.2 COC1CCCNC1 PB14414 [1,0,0,1,0,0|1,1,0]=4 122 B8R1.2 COC1CCNCC1 PB10390 [1,0,0,1,0,0|1,1,0]=4 123 B8R1.2 COC1CCNCC1 PB34075 [1,0,0,1,0,0|1,1,0]=4 124 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [1,0,0,1,0,0|1,1,0]=4 125 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [1,0,0,1,0,0|1,1,0]=4 126 B8R1.2 CO[C@H]1CCCNC1 PB13690 [1,0,0,1,0,0|1,1,0]=4 127 B8R1.2 CO[C@H]1CCCNC1 PB31836 [1,0,0,1,0,0|1,1,0]=4 128 B8R1.2 CSC1CCNCC1 PB22682 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.60 C1CC(C1)(CN)CO PB10742 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.60 CCC1(COC1)CO PB33836 [1,0,0,1,0,0|2,0,0]=4 131 B10R1.4 CCCC1CCNCC1=O AB59855 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.15 C1COCCC1C(CO)N AB20267 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.15 C1CSCCC1C(CO)N AB20270 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.20 CCC1C(NCCN1)CC AB37000 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.20 CC[C@@H]1[C@H](NCCN1)CC AB37003 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.20 CC[C@H]1[C@@H](NCCN1)CC AB37004 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.40 C[C@@]1(CCC[C@H]1CO)NC AB42782 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.40 C[C@@]1(CCC[C@H]1CO)NC AB49853 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.10 CN1CCCC(C1)CCN PB33033 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.10 CN1CCCC(C1)CCO PB22676 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.18 B(CC1CCCCC1)(O)O AB53934 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.171 CC1(CC(CCO1)C=O)C AB09953 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.171 CC1(CC(CCO1)CN)C AB61238 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.113 CC(C)N1CCCC(C1)O AB70366 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.85 C1CCCC(CC1)CCN AB18476 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.1 C1CN(CCC1O)CCO MB05042 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.1 CN1CCC(CC1)CCN PB26188 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.1 CN1CCC(CC1)CCO PB26877 [0,1,0,1,0,0|1,0,0]=3 150 B10R1.1 CN1CCN(CC1)CCO AB16501 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.17 C1CCC(CC1)CCCN AB02348 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.17 C1COCCC1CCCN AB64018 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.17 C1COCCN1CCCCl AB01783 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.17 CCCCC1CCNCC1 AB21590 [0,1,0,1,0,0|2,0,0]=4 155 B10R1.17 CCCOC1CCNCC1 AB23647 [0,1,0,1,0,0|2,0,0]=4 156 B10R1.17 CNCCC1CCCCO1 AB28412 [0,1,0,1,0,0|1,1,0]=4 157 B10R1.17 CNCCN1CCOCC1 AB53812 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.17 COCCC1CCNCC1 PB28136 [0,1,0,1,0,0|2,0,0]=4 159 B10R1.261 CCC[C@@H]1[C@@H]([C@@H](N1)CO)O MB69363 [0,1,0,1,0,0|2,0,0]=4 160 B10R2.61 C1CC2CC(C(C1)N2)O PB38343 [0,0,0,2,0,0|1,0,0]=3 161 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O PB39013 [0,0,0,2,0,0|1,0,0]=3 162 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O PB39032 [0,0,0,2,0,0|1,0,0]=3 163 B10R2.62 C1CC2C(CC1CN2)O PB37269 [0,0,0,2,0,0|2,0,0]=4 164 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O PB17241 [0,0,0,2,0,0|2,0,0]=4 165 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O PB24470 [0,0,0,2,0,0|2,0,0]=4 166 B10R2.71 C1C[C@H]2C[C@H](C[C@@H]1N2)O PB32100 [0,0,0,2,0,0|2,0,0]=4 167 B10R2.408 C1CC2CCCC(C1)N2 PB15439 [0,0,0,2,0,0|2,0,0]=4 168 B10R2.160 C1C2CNCC1C2CO PB32049 [0,0,0,2,0,0|2,0,0]=4 169 B10R2.2 C1[C@@H](C[C@@H]2[C@H]1CNC2)O PB38997 [0,0,0,2,0,0|2,0,0]=4 170 B10R2.2 C1[C@H](C[C@@H]2[C@H]1CNC2)O PB21564 [0,0,0,2,0,0|2,0,0]=4 171 B10R2.32 C1CO[C@@H]2[C@H]1[C@@H](CO2)O MB07771 [0,0,0,2,0,0|1,1,0]=4 172 B10R2.32 C1C[C@H]([C@@H]2[C@H]1CNC2)O PB35961 [0,0,0,2,0,0|2,0,0]=4 173 B10R2.7 C1CC2C(CCN2)NC1 AB77339 [0,0,0,2,0,0|2,0,0]=4 174 B10R2.7 C1CCC2C(C1)CCN2 MB00212 [0,0,0,2,0,0|2,0,0]=4 175 B10R2.484 C1CC2(C1)CCNCC2 PB36858 [0,0,0,2,0,0|2,0,0]=4 176 B10R2.484 C1CC2(CCO2)CNC1 PB28499 [0,0,0,2,0,0|2,0,0]=4 177 B10R2.484 C1CCC2(CC1)CCN2 PB23617 [0,0,0,2,0,0|2,0,0]=4 178 B10R2.484 C1CCNC2(C1)CCC2 PB31158 [0,0,0,2,0,0|2,0,0]=4 179 B10R2.484 C1CCNC2(C1)CCC2 PB37563 [0,0,0,2,0,0|2,0,0]=4 180 B10R2.484 C1CNC12CCOCC2 PB28531 [0,0,0,2,0,0|2,0,0]=4 181 B10R2.484 C1CNCCC12CCO2 PB26953 [0,0,0,2,0,0|2,0,0]=4 182 B10R2.484 C1CNCCC12CCO2 PB38731 [0,0,0,2,0,0|2,0,0]=4 183 B10R2.484 C1COCCC12CNC2 PB16372 [0,0,0,2,0,0|2,0,0]=4 184 B10R2.484 C1COCCC12CNC2 PB16663 [0,0,0,2,0,0|2,0,0]=4