0 B7R0.11 CC(C)(CO)CCO W19543 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CO[C@@H](C)CCO D77758 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.1 CS[C@@H](C)CC=O D91557 [1,0,0,0,0,0|2,1,0]=4 3 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.5 C#CC[N+](C)(C)C D93235 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.5 C#CC[Si](C)(C)C I10158 [1,0,0,0,0,0|1,1,1]=4 6 B6R0.5 C=CC[Si](C)(C)C 76453 [1,0,0,0,0,0|1,1,1]=4 7 B6R0.5 C=COC(C)(C)C 28752 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.5 CC(C)(C)CC=O 60546 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.5 CC(C)(C)CCBr 29514 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.5 CC(C)(C)CCCl D95900 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.5 CC(C)(C)CCO 61808 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 CC(C)(C)N=C=S D95911 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.5 CC(C)(C)NC=O D88776 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.5 CC(C)(N)CCO F13529 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.5 CC(C)(O)CC#N D88032 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.5 CC(C)(O)CCBr RB3141 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.5 CC(C)(S)CCO D91597 [1,0,0,0,0,0|2,1,0]=4 18 B6R0.5 CCCC(C)(C)Cl H10235 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.5 CNCC(C)(C)C D94980 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.5 CNCC(C)(C)C F20240 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.5 CNCC(C)(C)O W12311 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.5 COCC(C)(C)N 28354 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.5 COCC(C)(C)N 32588 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.5 COCC(C)(C)O 67570 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.5 C[N+](C)(C)CCBr D88668 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.5 C[N+](C)(C)CCCl C10106 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.5 C[N+](C)(C)CCO D70213 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.5 C[N+](C)(C)CCO D70215 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.5 C[N+](C)(C)CCO D78341 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.5 C[N+](C)(C)CCO D89232 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.5 C[Si](C)(C)CC#N AC8644 [1,0,0,0,0,0|2,1,0]=4 32 B6R0.5 C[Si](C)(C)CCO 75284 [1,0,0,0,0,0|2,1,0]=4 33 B6R0.8 CC(C)(C#N)CO O11012 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.8 CC(C)(C=O)CO 39324 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.8 CC(C)(CBr)CBr S10693 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.8 CC(C)(CN)CN D89885 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.8 CC(C)(CN)CO 35391 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.8 CC(C)(CO)CBr D97756 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.8 CC(C)(CO)CCl D84357 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.8 CC(C)(CO)CO D71071 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.8 CNC(C)(C)CO F19204 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.8 COC(C)(C)CO I10175 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.8 CO[Si](C)(C)CCl I11033 [1,0,0,0,0,0|1,1,0]=3 44 B8R0.34 CCC(C)(C)CC(=O)O D93429 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.34 CSC(C)(C)CC(C)=O D95281 [0,1,0,0,0,0|1,1,1]=4 46 B8R1.51 C[C@H]1COC(C)(C)O1 D92616 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.72 CC1(C)CCCNC1 52404 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.72 CC1(C)CCNCC1 61353 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.72 CC1(C)CCNCC1 AC8379 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.72 CC1(C)CNCCN1 26348 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.72 CC1(C)CNCCO1 P11839 [0,0,0,1,0,0|0,0,2]=3 52 B8R1.72 CC1(C)COCCN1 25040 [0,0,0,1,0,0|2,0,1]=4 53 B5R0.1 C=CC[C@H](C)O D92157 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CC(C)CC#N 30285 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CC(C)CNN 86152 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 CC(C)CON H10571 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 COC[C@H](C)O 35103 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 COC[C@H](C)O O10158 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 C[C@H](O)CCO 55765 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 C[C@H](O)CCO O10183 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 C[C@H](O)CNN 71999 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 C[NH2+]CC(C)C D91375 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|0,0,2]=4 66 B5R0.2 COCCC#N D71223 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.2 COCCNN 72234 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.2 COCCON D82747 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 CC[C@H](C)CBr A10884 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 CC[C@H](C)CCl D89411 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 CC[C@H](C)CI D80608 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 CC[C@H](C)CN F16114 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.3 CC[C@H](C)CO 88664 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.3 CC[C@H](C)CS D91431 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.3 CC[C@H](C)NC D95752 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.3 CO[C@@H](C)CN 91004 [2,0,0,0,0,0|0,0,1]=3 83 B5R0.3 CO[C@@H](C)CO 29137 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.3 CO[C@@H](C)CO 35966 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.4 C#CC(C)(C)C F15435 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.4 C=CC(C)(C)C D89799 [2,0,0,0,0,0|0,0,2]=4 87 B5R0.4 CC(C)(C)C#N 75299 [2,0,0,0,0,0|0,0,2]=4 88 B5R0.4 CC(C)(C)CBr D78161 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.4 CC(C)(C)CCl D89303 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.4 CC(C)(C)CI AT22032 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.4 CC(C)(C)CN C10662 [2,0,0,0,0,0|0,0,1]=3 92 B5R0.4 CC(C)(C)CN H10567 [2,0,0,0,0,0|0,0,1]=3 93 B5R0.4 CC(C)(C)CO D78368 [2,0,0,0,0,0|1,0,0]=3 94 B5R0.4 CC(C)(C)N=O D95969 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.4 CC(C)(C)NN D70845 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.4 CC(C)(C)NO 77596 [2,0,0,0,0,0|1,0,1]=4 97 B5R0.4 CC(C)(C)NO 77597 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.4 CC(C)(C)ON 29937 [2,0,0,0,0,0|1,0,0]=3 99 B5R0.4 CC(C)(N)CN 22841 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.4 CC(C)(N)CO P20005 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.4 CC(C)(O)CCl 28897 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.4 CC(C)(O)CN 24534 [2,0,0,0,0,0|0,0,1]=3 103 B5R0.4 CC(C)(O)CN 62304 [2,0,0,0,0,0|0,0,1]=3 104 B5R0.4 CC(C)(O)CO 31979 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.4 CC(C)(S)CN 39451 [2,0,0,0,0,0|0,1,1]=4 106 B5R0.4 CCC(C)(C)Br D88670 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.4 CCC(C)(C)[O-] D94775 [2,0,0,0,0,0|0,0,2]=4 108 B5R0.4 CC[N+](C)(C)C D90453 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.4 CNC(C)(C)C D94509 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.4 CO[Si](C)(C)C D94568 [2,0,0,0,0,0|0,1,0]=3 111 B5R0.4 CSC(C)(C)C D88816 [2,0,0,0,0,0|0,1,0]=3 112 B5R0.4 C[Si](C)(C)CBr D88871 [2,0,0,0,0,0|1,1,0]=4 113 B5R0.4 C[Si](C)(C)CI D73359 [2,0,0,0,0,0|1,1,0]=4 114 B5R0.4 C[Si](C)(C)CO S12036 [2,0,0,0,0,0|1,1,0]=4 115 B5R0.4 [C-]#[N+]C(C)(C)C I11390 [2,0,0,0,0,0|0,0,0]=2 116 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.12 CNCC(OC)OC 67627 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.12 COC(CC#N)OC F16138 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.12 COC(CCBr)OC 28799 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.12 COC(CSC)OC F15987 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.12 COCC(OC)OC A10903 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.8 C=CCNC(C)(C)C D88524 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.8 CC(C)(C)NCCN W18588 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.8 CC(C)(C)OCCO AT13966 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.8 CCCCC(C)(C)O D91354 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.8 CCCOC(C)(C)C S11895 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.9 CC(=O)CC(C)(C)C A10213 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.9 CC(C)(C)CC(=O)Cl P18012 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.9 CC(C)(C)CC(=O)O D78179 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.9 CC(C)(O)CC(=O)O A10925 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.9 CN(C)CC(C)(C)O CL4586 [1,1,0,0,0,0|0,0,2]=4 132 B7R0.14 CC(C)(C)[C@@H](N)CO 31123 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.14 CC(C)(C)[C@@H](N)CO F12551 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.13 COC(C)(C)C(=O)O 28124 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.18 COC(C)(CBr)OC 75179 [1,1,0,0,0,0|1,0,0]=3 136 B9R0.62 CCCC(OC)(OC)OC F20418 [0,2,0,0,0,0|1,0,1]=4 137 B7R1.1 CO[C@H]1CCNC1 27715 [1,0,0,1,0,0|0,0,2]=4 138 B7R1.1 CO[C@H]1CCNC1 63946 [1,0,0,1,0,0|0,0,2]=4 139 B7R1.1 CO[C@H]1CCNC1 63947 [1,0,0,1,0,0|0,0,2]=4 140 B7R1.1 CO[C@H]1CCNC1 P10861 [1,0,0,1,0,0|0,0,2]=4 141 B7R1.3 C[C@H]1CNCCO1 27675 [1,0,0,1,0,0|0,0,2]=4 142 B7R1.3 C[C@H]1CNCCO1 F13092 [1,0,0,1,0,0|0,0,2]=4 143 B7R1.25 COC1(C)CNC1 37157 [1,0,0,1,0,0|0,0,2]=4 144 B7R1.14 CC1(C)CCNC1 AB7085 [1,0,0,1,0,0|0,0,2]=4 145 B7R1.14 CC1(O)CCCC1 35177 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.14 C[C@]1(O)CCNC1 37166 [1,0,0,1,0,0|0,0,2]=4 147 B7R1.14 C[C@]1(O)CCNC1 72101 [1,0,0,1,0,0|0,0,2]=4 148 B7R1.23 CC1(C)C[C@@H]1C#N 39301 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.10 CC1(C)OCC(=O)CO1 F10411 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.10 CC1(C)OCC(N)CO1 C75033 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.133 CC1(C)OC[C@@H](C=O)O1 77520 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.133 CC1(C)OC[C@H](CCl)O1 36708 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.133 CC1(C)OC[C@H](CCl)O1 F12669 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.133 CC1(C)OC[C@H](CCl)O1 I11526 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.133 CC1(C)OC[C@H](CN)O1 60110 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.133 CC1(C)OC[C@H](CN)O1 A10627 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.133 CC1(C)OC[C@H](CO)O1 E10100 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.133 CC1(C)OC[C@H](CO)O1 F11426 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.133 CC1(C)OC[C@H](CO)O1 H10460 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.148 CC1(C)OCC=CCO1 CS2196 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.66 CC1(C)CC(=O)CCO1 58123 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.66 CC1(C)C[C@@H](N)CCO1 26980 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.134 CC1(CCBr)OCCO1 D88833 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.134 CC1(CCO)OCCO1 32070 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.204 COC1(OC)CCNC1 P15355 [0,1,0,1,0,0|0,0,2]=4