0 B6R0.8 C#CC(C)(C)CO G-7458 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.8 C#CC(C)(N)CC M15500 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.8 CC(C)(C#N)CO M23089 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.8 CC(F)(CO)CO Q69405 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.8 CCC(C)(C)CO O30180 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.8 CNC(C)(C)CO P39121 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.8 NCC(F)(F)CO F-4867 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.8 OCC(F)(F)CO O32548 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.9 NCC(CO)CO F-4437 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.9 OCC(CO)CO F-4239 [1,0,0,0,0,0|0,0,0]=1 10 B8R0.10 OCC(CCl)(CCl)CCl G-7013 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.36 CCC(N)(CC)C(=O)O P39311 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.52 CC1(CN)CCOC1 G-7380 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.52 CC1(CO)CCCC1 P38391 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.52 NC1(CO)CCCC1 P42933 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.52 NC1(CO)CCNC1 K12029 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.52 NC1(CO)CCOC1 G-6440 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.52 OCC1(F)CCCC1 Q57007 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.52 OCC1(F)CCNC1 Q52107 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.52 OCC1(F)CCNC1 Q52108 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.52 OCC1(O)CCNC1 L18123 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.52 OCC1(O)CCNC1 Q56447 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.52 OC[C@@]1(F)CCNC1 Q62186 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.52 OC[C@]1(F)CCNC1 Q62187 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.58 CC1(CO)COC1=O Q62787 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.60 BrCC1(CBr)COC1 F-4494 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.60 CCC1(CN)COC1 G-7247 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.60 CCC1(CO)CNC1 P46693 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.60 CCC1(CO)CNC1 P46694 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.60 CCC1(CO)COC1 I-9059 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.60 CNC1(CO)COC1 G-7742 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.60 COC1(CO)COC1 O33184 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.60 ClCC1(CBr)COC1 P45703 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.60 ClCC1(CCl)COC1 G-6646 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.60 ClCC1(CI)COC1 L21602 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.60 FCC1(CBr)COC1 Q56175 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.60 FCC1(CF)COC1 Q56162 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.60 N#CC1(CO)COC1 Q54779 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.60 NCC1(CF)COC1 Q56149 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.60 NCC1(CN)COC1 F-4495 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.60 NCC1(CN)COC1 F-4496 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.60 NCC1(CO)CCC1 G-6313 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.60 NCC1(CO)CCC1 P42587 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.60 NCC1(CO)COC1 G-6296 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.60 NCC1(CO)COC1 G-7248 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.60 NCC1(CO)COC1 L21414 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.60 OCC1(CBr)COC1 G-6297 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.60 OCC1(CCl)COC1 Q52815 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.60 OCC1(CF)CNC1 P50850 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.60 OCC1(CF)COC1 Q56148 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.60 OCC1(CO)CCC1 L21609 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.60 OCC1(CO)CNC1 I-9065 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.60 OCC1(CO)CNC1 P45593 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.60 OCC1(CO)COC1 I-9454 [0,0,0,1,0,0|1,0,0]=2 54 B5R0.3 CC(CBr)CBr O34172 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.3 CC(CN)CO O30604 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 CNC(C)CO M23268 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 CN[C@@H](C)CO P38191 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 CN[C@H](C)CO P41018 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 NCC(O)CF M23924 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 NC[C@@H](F)CO L22313 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.3 NC[C@@H](O)CCl Q69638 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 NC[C@H](F)CO O33576 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.4 CC(C)(C)CBr P36951 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.4 CC(C)(F)CO P45778 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.4 CC(C)(O)CN G-7049 [2,0,0,0,0,0|2,0,0]=4 66 B7R0.11 CNCC(C)(C)CO P40852 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.11 COCC(C)(C)CN P36170 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.11 COCC(C)(C)CO O31179 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.13 CCC(C)(N)C(=O)O P37187 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.13 C[C@@](N)(CO)C(=O)O Q68933 [1,1,0,0,0,0|0,0,1]=3 73 B7R0.13 C[C@](N)(CO)C(=O)O Q68930 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.15 CCC(CO)C(C)C K16110 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [1,1,0,0,0,0|1,0,1]=4 79 B7R1.14 CC1(N)CCCC1 Q57352 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.14 CC1(N)CCNC1 Q61976 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.14 CC1(N)CCNC1 Q61977 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.14 CC1(N)CCOC1 F-4690 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.17 CC1(C)CCC1O O32944 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.25 CC1(CBr)COC1 C-3487 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.25 CC1(CF)CCN1 P47255 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.25 CC1(CI)COC1 G-5286 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.25 CC1(CN)COC1 C-2245 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.25 CC1(CO)CCC1 P38399 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.25 CC1(CO)CCN1 P48829 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.25 CC1(CO)CCN1 P50194 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.25 CC1(CO)CCN1 P50195 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.25 CC1(CO)CCO1 Q62788 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.25 CC1(CO)CNC1 L21441 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.25 CC1(CO)CNC1 P48076 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.25 CC1(CS)COC1 Q51971 [1,0,0,1,0,0|1,1,0]=4 96 B7R1.25 CCC1(N)CCC1 P45271 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.25 CCC1(N)CCC1 P45837 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.25 CCC1(N)CNC1 O33281 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.25 CCC1(N)CNC1 P43157 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.25 CCC1(N)CNC1 P45038 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.25 CCC1(N)COC1 G-5819 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.25 FC1(CBr)COC1 G-6300 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.25 FC1(CI)COC1 G-7918 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.25 N#CC1(N)COC1 L21388 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.25 N#CC1(N)COC1 Q54789 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.25 NC1(CF)CCC1 P48954 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.25 NC1(CF)CCC1 P48955 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.25 NC1(CF)COC1 O33368 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.25 NC1(CF)COC1 Q64300 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.25 NC1(CF)COC1 Q64301 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.25 NC1(CO)CCC1 L13691 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.25 NC1(CO)CCC1 P47084 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.25 NC1(CO)COC1 G-5980 [1,0,0,1,0,0|0,0,0]=2 114 B7R1.25 NCC1(F)COC1 G-6299 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.25 NCC1(N)CCC1 P45183 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.25 NCC1(N)CCC1 P45615 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.25 NCC1(N)COC1 G-6639 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.25 NCC1(O)COC1 G-6435 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.25 OC1(CF)COC1 Q55859 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.25 OCC1(F)CCC1 P48894 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.25 OCC1(F)CNC1 G-7354 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.25 OCC1(F)CNC1 P47031 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.25 OCC1(F)COC1 G-6298 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.25 OCC1(O)CNC1 L14410 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.25 OCC1(O)CNC1 P44803 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.25 OCC1(O)CNC1 P44804 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.25 OCC1(O)COC1 L13940 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.29 NCC1(CO)CC1 P41383 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.29 NCC1(CO)CC1 P44465 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 OCC1CC=CC1 G-6600 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 OCC1CCNC1 C-2924 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 OCC1CCNC1 L13610 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.1 OC[C@@H]1CCNC1 G-6083 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.1 OC[C@@H]1CCNC1 L13662 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.1 OC[C@H]1CCNC1 G-6082 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.1 OC[C@H]1CCNC1 L14041 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.8 OCC1CCC1F P47249 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.8 OCC1CCC1O P50851 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.204 NCC1(CO)CCCC1 P39571 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.204 OCC1(CO)CCCC1 O28072 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.118 CCC1(N)CCCOC1 Q61496 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.118 CCC1(N)CCOCC1 L14322 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.118 CCC1(N)CCOCC1 Q61428 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.118 NC1(CF)CCOCC1 Q64314 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.118 NC1(CO)CCCCC1 P37508 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.118 NC1(CO)CCNCC1 Q52607 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.118 NC1(CO)CCNCC1 Q52608 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.118 NC1(CO)CCOCC1 G-6353 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.118 NC1(CO)CCOCC1 G-7270 [0,1,0,1,0,0|1,0,0]=3 165 B9R1.118 NC1(CO)CCSCC1 Q57923 [0,1,0,1,0,0|1,1,0]=4 166 B9R1.118 NC1(CO)CCSCC1 Q57924 [0,1,0,1,0,0|1,1,0]=4 167 B9R1.118 NCC1(N)CCOCC1 Q63006 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.118 OCC1(Cl)CCOCC1 Q64452 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.118 OCC1(F)CCCOC1 Q52411 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.118 OCC1(F)CCOCC1 G-6354 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.118 OCC1(O)CCOCC1 Q64448 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.124 NC1CC(CO)(CO)C1 C-2967 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.124 NCC1(CO)CC(O)C1 P47086 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.124 O=C1CC(CO)(CO)C1 P43826 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.124 OCC1(CO)CC(F)C1 P50847 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.124 OCC1(CO)CC(O)C1 L13010 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.175 CCC1(CCO)COC1 Q54776 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.175 CCNC1(CO)COC1 Q55956 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.175 COCC1(CO)CCC1 L19495 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.175 COCC1(CO)COC1 Q62636 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.175 CSCC1(CO)COC1 Q58502 [0,1,0,1,0,0|1,1,0]=4 182 B9R1.119 CC(C)C1(CO)COC1 L21734 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.119 CC(N)C1(CO)COC1 Q56882 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.119 OCC1(C(F)F)COC1 L21310 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.121 CC1(CO)COC1(C)C Q62786 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.163 NC1(C(=O)O)CCOC1 C-3361 [0,1,0,1,0,0|1,0,1]=4 187 B9R2.56 OCC12COCC1C2 Q55609 [0,0,0,2,0,0|2,0,0]=4 188 B9R2.56 OC[C@@]12COC[C@@H]1C2 Q62753 [0,0,0,2,0,0|2,0,0]=4 189 B9R2.56 OC[C@]12COC[C@H]1C2 Q62752 [0,0,0,2,0,0|2,0,0]=4 190 B9R2.173 C1CC2(CCOC2)N1 L13401 [0,0,0,2,0,0|2,0,0]=4 191 B9R2.173 C1CC2(CCOC2)N1 Q56396 [0,0,0,2,0,0|2,0,0]=4 192 B9R2.173 C1CC2(CCOC2)N1 Q56397 [0,0,0,2,0,0|2,0,0]=4 193 B9R2.140 OC1CCC12COC2 P46913 [0,0,0,2,0,0|2,0,0]=4