0 B5R0.1 B(CCC)(O)O P120303 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C(CBr)C(=O)Cl B135557 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C(CBr)C(=O)N B152335 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C(CBr)C(=O)O B106081 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 C(CCl)C(=O)Cl C109466 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C(CCl)C(=O)N C171099 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 C(CCl)C(=O)O C106515 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C(CI)C(=O)O I157542 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 C(CN)C(=O)N B135870 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 C(CN)C(=O)O A105703 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C(CN)C(=O)O A137901 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C(CN)C(=O)O A494514 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 C(CO)C(=O)O H136635 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C(CO)[N+](=O)[O-] N110256 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 C(CS(=O)O)N H303371 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 C(CS)C(=O)O M103035 [0,0,0,0,0,0|3,1,0]=4 16 B5R0.1 C(CS)C(=O)O M103036 [0,0,0,0,0,0|3,1,0]=4 17 B5R0.1 C(CS)C(=O)O M590994 [0,0,0,0,0,0|3,1,0]=4 18 B5R0.1 CC#CC(C)C M157953 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 CC(=C)CCO M158231 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|1,0,3]=4 21 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.1 CC(=O)CCO H106330 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.1 CC(=O)COC M158844 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 CC(=O)NCO A151630 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CC(=O)OCBr B122544 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 CC(=O)OCCl C194261 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 CC(C)CC#C M157952 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 CC(C)CC#N I137312 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|1,0,2]=3 36 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.1 CC(C)CCBr I109279 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.1 CC(C)CCCl C105682 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 CC(C)CCI I100674 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 CC(C)CCN I109581 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.1 CC(C)CCN I404590 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.1 CC(C)CCO M116196 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.1 CC(C)CCO M116197 [0,0,0,0,0,0|1,0,0]=1 44 B5R0.1 CC(C)CCO M116198 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.1 CC(C)CCO M116200 [0,0,0,0,0,0|1,0,0]=1 46 B5R0.1 CC(C)CCO M116201 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.1 CC(C)CCO M119838 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.1 CC(C)CCS M101609 [0,0,0,0,0,0|1,1,0]=2 49 B5R0.1 CC(C)CNN I588327 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 CC(C)C[Zn]Br I465880 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.1 CC(C)N=C=S I138525 [0,0,0,0,0,0|2,1,1]=4 52 B5R0.1 CC(C)OC=O I112304 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.1 CC(C)OCCl C189120 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.1 CC(C)SC#N I349763 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC(CC#C)O P160660 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CC(CCBr)Br D155315 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 CC(CCBr)O B589640 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CC(CCCl)Cl D155308 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CC(CCO)N A123608 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.1 CC(CCO)N A183438 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.1 CC(CCO)N S176942 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.1 CC(CCO)O B111016 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.1 CC(CCO)O B111017 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.1 CC(CCO)O B111018 [0,0,0,0,0,0|2,0,0]=2 68 B5R0.1 CC(CCO)O B119672 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.1 CC(CCO)O R160960 [0,0,0,0,0,0|2,0,0]=2 70 B5R0.1 CC(CCO)O S138551 [0,0,0,0,0,0|2,0,0]=2 71 B5R0.1 CC(CNC)O M587581 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 CC(COC)N M169973 [0,0,0,0,0,0|4,0,0]=4 73 B5R0.1 CC(COC)N S475332 [0,0,0,0,0,0|4,0,0]=4 74 B5R0.1 CC(COC)N S586466 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 CC(COC)O M105264 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.1 CC(COC)O M105265 [0,0,0,0,0,0|4,0,0]=4 77 B5R0.1 CC(COC)O M105266 [0,0,0,0,0,0|4,0,0]=4 78 B5R0.1 CC(COC)O M299436 [0,0,0,0,0,0|4,0,0]=4 79 B5R0.1 CC(COC)O R160841 [0,0,0,0,0,0|4,0,0]=4 80 B5R0.1 CC(COC)O S161357 [0,0,0,0,0,0|4,0,0]=4 81 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.1 CCCC(=C)C M158211 [0,0,0,0,0,0|2,0,1]=3 85 B5R0.1 CCCC(=O)C P103780 [0,0,0,0,0,0|3,0,0]=3 86 B5R0.1 CCCC(=O)C P103781 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.1 CCCC(=O)C P103782 [0,0,0,0,0,0|3,0,0]=3 88 B5R0.1 CCCC(=O)C P103783 [0,0,0,0,0,0|3,0,0]=3 89 B5R0.1 CCCC(=O)Cl B108666 [0,0,0,0,0,0|4,0,0]=4 90 B5R0.1 CCCC(=O)N B152329 [0,0,0,0,0,0|4,0,0]=4 91 B5R0.1 CCCC(=O)O B110438 [0,0,0,0,0,0|4,0,0]=4 92 B5R0.1 CCCC(=O)O B110439 [0,0,0,0,0,0|4,0,0]=4 93 B5R0.1 CCCC(=O)O B110440 [0,0,0,0,0,0|4,0,0]=4 94 B5R0.1 CCCC(=O)O B110442 [0,0,0,0,0,0|4,0,0]=4 95 B5R0.1 CCCC(=O)O B274612 [0,0,0,0,0,0|4,0,0]=4 96 B5R0.1 CCCC(=O)O B431361 [0,0,0,0,0,0|4,0,0]=4 97 B5R0.1 CCCC(=O)[O-] S102954 [0,0,0,0,0,0|4,0,0]=4 98 B5R0.1 CCCC(=O)[O-] S102956 [0,0,0,0,0,0|4,0,0]=4 99 B5R0.1 CCCC(=O)[O-] S346178 [0,0,0,0,0,0|4,0,0]=4 100 B5R0.1 CCCC(=O)[O-] S421873 [0,0,0,0,0,0|4,0,0]=4 101 B5R0.1 CCCC(C)Br B400517 [0,0,0,0,0,0|3,0,0]=3 102 B5R0.1 CCCC(C)C I157548 [0,0,0,0,0,0|2,0,0]=2 103 B5R0.1 CCCC(C)C M105775 [0,0,0,0,0,0|2,0,0]=2 104 B5R0.1 CCCC(C)C M105776 [0,0,0,0,0,0|2,0,0]=2 105 B5R0.1 CCCC(C)C M105777 [0,0,0,0,0,0|2,0,0]=2 106 B5R0.1 CCCC(C)C M105778 [0,0,0,0,0,0|2,0,0]=2 107 B5R0.1 CCCC(C)C M137744 [0,0,0,0,0,0|2,0,0]=2 108 B5R0.1 CCCC(C)Cl C467357 [0,0,0,0,0,0|3,0,0]=3 109 B5R0.1 CCCC(C)N A151353 [0,0,0,0,0,0|3,0,0]=3 110 B5R0.1 CCCC(C)O P103442 [0,0,0,0,0,0|3,0,0]=3 111 B5R0.1 CCCC(C)O P103443 [0,0,0,0,0,0|3,0,0]=3 112 B5R0.1 CCCC(C)O R138651 [0,0,0,0,0,0|3,0,0]=3 113 B5R0.1 CCCC(C)O S138580 [0,0,0,0,0,0|3,0,0]=3 114 B5R0.1 CCCN(C)C N404354 [0,0,0,0,0,0|1,0,0]=1 115 B5R0.1 CCC[N+](=O)[O-] N109053 [0,0,0,0,0,0|3,0,1]=4 116 B5R0.1 CCNC(=O)C I135660 [0,0,0,0,0,0|4,0,0]=4 117 B5R0.1 CCNC(C)C N159098 [0,0,0,0,0,0|3,0,0]=3 118 B5R0.1 CCOC(=N)C E132730 [0,0,0,0,0,0|4,0,0]=4 119 B5R0.1 CCOC(=O)C E116131 [0,0,0,0,0,0|4,0,0]=4 120 B5R0.1 CCOC(=O)C E116132 [0,0,0,0,0,0|4,0,0]=4 121 B5R0.1 CCOC(=O)C E116133 [0,0,0,0,0,0|4,0,0]=4 122 B5R0.1 CCOC(=O)C E116134 [0,0,0,0,0,0|4,0,0]=4 123 B5R0.1 CCOC(=O)C E116135 [0,0,0,0,0,0|4,0,0]=4 124 B5R0.1 CCOC(=O)C E116136 [0,0,0,0,0,0|4,0,0]=4 125 B5R0.1 CCOC(=O)C E116137 [0,0,0,0,0,0|4,0,0]=4 126 B5R0.1 CCOC(=O)C E116138 [0,0,0,0,0,0|4,0,0]=4 127 B5R0.1 CCOC(=O)C E116139 [0,0,0,0,0,0|4,0,0]=4 128 B5R0.1 CCOC(=O)C E116141 [0,0,0,0,0,0|4,0,0]=4 129 B5R0.1 CCOC(=O)C E116142 [0,0,0,0,0,0|4,0,0]=4 130 B5R0.1 CCOC(=O)C E119698 [0,0,0,0,0,0|4,0,0]=4 131 B5R0.1 CCOC(=O)C E141165 [0,0,0,0,0,0|4,0,0]=4 132 B5R0.1 CCOC(=O)C E302266 [0,0,0,0,0,0|4,0,0]=4 133 B5R0.1 CCOC(=O)C E432070 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|3,0,0]=3 135 B5R0.1 CCSC(=O)C E107950 [0,0,0,0,0,0|4,0,0]=4 136 B5R0.1 CCSC(=S)C E338928 [0,0,0,0,0,0|4,0,0]=4 137 B5R0.1 CN(C)CC#C N159655 [0,0,0,0,0,0|1,0,1]=2 138 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|1,0,1]=2 139 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|0,0,2]=2 140 B5R0.1 CN(C)CCBr B183437 [0,0,0,0,0,0|1,0,0]=1 141 B5R0.1 CN(C)CCN D105347 [0,0,0,0,0,0|1,0,0]=1 142 B5R0.1 CN(C)CCN N404297 [0,0,0,0,0,0|1,0,0]=1 143 B5R0.1 CN(C)CCN N404298 [0,0,0,0,0,0|1,0,0]=1 144 B5R0.1 CN(C)CCO D109078 [0,0,0,0,0,0|0,0,0]=0 145 B5R0.1 CN(C)CCO D109079 [0,0,0,0,0,0|0,0,0]=0 146 B5R0.1 CN(C)CCO D109080 [0,0,0,0,0,0|0,0,0]=0 147 B5R0.1 CSCS(=O)C M158415 [0,0,0,0,0,0|4,0,0]=4 148 B4R0.1 B(=S(C)C)Cl C300429 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.1 B(CC)(O)O E120272 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.1 C(C(=O)N)O G102639 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.1 C(C(=O)O)O G104191 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.1 C(C(=O)O)O G104193 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.1 C(C(=O)O)O G425976 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.1 C(C(=O)O)O G434198 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 C(C(=O)O)O G591002 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.1 C(C(=O)O)O N129652 [1,0,0,0,0,0|3,0,0]=4 157 B4R0.1 C(C(=O)O)O N427119 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.1 C(C(=O)O)O P136309 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.1 C(C(=O)O)O P477164 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.1 C(C(=O)[O-])O C154022 [1,0,0,0,0,0|3,0,0]=4 161 B4R0.1 C(C(=O)[O-])O C347797 [1,0,0,0,0,0|3,0,0]=4 162 B4R0.1 C(C(=O)[O-])O S102872 [1,0,0,0,0,0|3,0,0]=4 163 B4R0.1 C(C(Cl)Cl)O D472528 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.1 C(C(F)F)O D102785 [1,0,0,0,0,0|3,0,0]=4 165 B4R0.1 C(O)S(=O)[O-] R110955 [1,0,0,0,0,0|3,0,0]=4 166 B4R0.1 C=C(CO)Br B352406 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 C=C(CO)Cl C171127 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|1,0,1]=3 172 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|3,0,0]=4 176 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|3,0,0]=4 181 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|3,0,0]=4 189 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|2,0,1]=4 190 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|1,0,2]=4 191 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|1,0,0]=2 203 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|1,0,0]=2 204 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|1,0,0]=2 205 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|1,0,0]=2 206 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|1,0,0]=2 207 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|1,0,0]=2 208 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|1,0,0]=2 209 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|1,0,0]=2 210 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|1,1,0]=3 211 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|3,0,0]=4 213 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|3,0,0]=4 216 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|3,0,0]=4 217 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|3,0,0]=4 218 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|3,0,0]=4 219 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|3,0,0]=4 220 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|3,0,0]=4 221 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|3,0,0]=4 222 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|3,0,0]=4 223 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|3,0,0]=4 224 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|3,0,0]=4 225 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|3,0,0]=4 226 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|3,0,0]=4 227 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|3,0,0]=4 228 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|3,0,0]=4 229 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|3,0,0]=4 230 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|3,0,0]=4 231 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|3,0,0]=4 232 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|2,0,0]=3 235 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|2,0,0]=3 236 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|2,0,0]=3 239 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|2,0,0]=3 240 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|2,0,0]=3 241 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|2,0,0]=3 242 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|2,0,0]=3 243 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|2,0,0]=3 244 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|2,0,0]=3 245 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|2,1,0]=4 246 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 CCC(=N)N P588869 [1,0,0,0,0,0|3,0,0]=4 249 B4R0.1 CCC(=O)Br P107847 [1,0,0,0,0,0|3,0,0]=4 250 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|2,0,0]=3 251 B4R0.1 CCC(=O)Cl P108665 [1,0,0,0,0,0|3,0,0]=4 252 B4R0.1 CCC(=O)N P104016 [1,0,0,0,0,0|3,0,0]=4 253 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|3,0,0]=4 254 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|3,0,0]=4 257 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|3,0,0]=4 258 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|3,0,0]=4 260 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|3,0,0]=4 261 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 CCC(=O)[O-] C112470 [1,0,0,0,0,0|3,0,0]=4 263 B4R0.1 CCC(=O)[O-] C112471 [1,0,0,0,0,0|3,0,0]=4 264 B4R0.1 CCC(=O)[O-] C492256 [1,0,0,0,0,0|3,0,0]=4 265 B4R0.1 CCC(=O)[O-] P160177 [1,0,0,0,0,0|3,0,0]=4 266 B4R0.1 CCC(=O)[O-] S100120 [1,0,0,0,0,0|3,0,0]=4 267 B4R0.1 CCC(=O)[O-] S100121 [1,0,0,0,0,0|3,0,0]=4 268 B4R0.1 CCC(=O)[O-] S100122 [1,0,0,0,0,0|3,0,0]=4 269 B4R0.1 CCC(=O)[O-] S346177 [1,0,0,0,0,0|3,0,0]=4 270 B4R0.1 CCC(=O)[O-] Z346699 [1,0,0,0,0,0|3,0,0]=4 271 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|2,0,0]=3 272 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|2,0,0]=3 273 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|2,0,0]=3 274 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|2,0,0]=3 275 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|2,0,0]=3 276 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|2,0,0]=3 277 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|2,0,0]=3 278 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|2,0,0]=3 279 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|2,0,0]=3 280 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|2,0,0]=3 281 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|2,0,0]=3 282 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|2,0,0]=3 283 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|2,0,0]=3 284 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|2,0,0]=3 285 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|2,0,0]=3 286 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|3,0,0]=4 287 B4R0.1 CCS(=O)[O-] S182544 [1,0,0,0,0,0|3,0,0]=4 288 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|1,0,0]=2 289 B4R0.1 CN(C)C#N D154667 [1,0,0,0,0,0|1,0,1]=3 290 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|0,0,2]=3 291 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|0,0,2]=3 292 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|0,0,2]=3 293 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|0,0,2]=3 294 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|0,0,2]=3 295 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|0,0,2]=3 296 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|0,0,2]=3 297 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|0,0,2]=3 298 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|0,0,2]=3 299 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|0,0,2]=3 300 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|0,0,2]=3 301 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|0,0,2]=3 302 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|0,0,2]=3 303 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|0,1,1]=3 304 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|1,0,1]=3 305 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|1,0,1]=3 306 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|1,0,1]=3 307 B4R0.1 CN=[N+](C)[O-] A169090 [1,0,0,0,0,0|2,0,1]=4 308 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|1,0,2]=4 309 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|2,0,0]=3 310 B4R0.2 C#CCCBr B151807 [1,0,0,0,0,0|2,0,1]=4 311 B4R0.2 C#CCCN B195517 [1,0,0,0,0,0|2,0,1]=4 312 B4R0.2 C#CCCO B106249 [1,0,0,0,0,0|1,0,1]=3 313 B4R0.2 C(CBr)C#N B106916 [1,0,0,0,0,0|3,0,0]=4 314 B4R0.2 C(CBr)CBr D104777 [1,0,0,0,0,0|3,0,0]=4 315 B4R0.2 C(CBr)CBr D104778 [1,0,0,0,0,0|3,0,0]=4 316 B4R0.2 C(CCl)C#N C141146 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.2 C(CCl)C#N C298757 [1,0,0,0,0,0|3,0,0]=4 318 B4R0.2 C(CCl)CBr B105780 [1,0,0,0,0,0|3,0,0]=4 319 B4R0.2 C(CCl)CCl D109184 [1,0,0,0,0,0|3,0,0]=4 320 B4R0.2 C(CCl)CCl D109185 [1,0,0,0,0,0|3,0,0]=4 321 B4R0.2 C(CCl)CCl D113099 [1,0,0,0,0,0|3,0,0]=4 322 B4R0.2 C(CCl)CCl D128142 [1,0,0,0,0,0|3,0,0]=4 323 B4R0.2 C(CCl)CCl D140761 [1,0,0,0,0,0|3,0,0]=4 324 B4R0.2 C(CCl)CI C153543 [1,0,0,0,0,0|3,0,0]=4 325 B4R0.2 C(CF)CBr B303518 [1,0,0,0,0,0|3,0,0]=4 326 B4R0.2 C(CF)CI I184641 [1,0,0,0,0,0|3,0,0]=4 327 B4R0.2 C(CI)CI D139104 [1,0,0,0,0,0|3,0,0]=4 328 B4R0.2 C(CN)C#N A107499 [1,0,0,0,0,0|3,0,0]=4 329 B4R0.2 C(CN)CBr B106915 [1,0,0,0,0,0|3,0,0]=4 330 B4R0.2 C(CN)CCl C102474 [1,0,0,0,0,0|3,0,0]=4 331 B4R0.2 C(CN)CN B151838 [1,0,0,0,0,0|3,0,0]=4 332 B4R0.2 C(CN)CN D154662 [1,0,0,0,0,0|3,0,0]=4 333 B4R0.2 C(CN)CN D155613 [1,0,0,0,0,0|3,0,0]=4 334 B4R0.2 C(CN)CN D155681 [1,0,0,0,0,0|3,0,0]=4 335 B4R0.2 C(CN)CN P103898 [1,0,0,0,0,0|3,0,0]=4 336 B4R0.2 C(CN)CN P492915 [1,0,0,0,0,0|3,0,0]=4 337 B4R0.2 C(CN)CN P494086 [1,0,0,0,0,0|3,0,0]=4 338 B4R0.2 C(CN)CO A106068 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.2 C(CN)CO A106069 [1,0,0,0,0,0|2,0,0]=3 340 B4R0.2 C(CN)CO A151629 [1,0,0,0,0,0|2,0,0]=3 341 B4R0.2 C(CN)CO A299064 [1,0,0,0,0,0|2,0,0]=3 342 B4R0.2 C(CN)CS A476835 [1,0,0,0,0,0|2,1,0]=4 343 B4R0.2 C(CO)C#N H109415 [1,0,0,0,0,0|2,0,0]=3 344 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|2,0,0]=3 345 B4R0.2 C(CO)CBr B108055 [1,0,0,0,0,0|2,0,0]=3 346 B4R0.2 C(CO)CBr B140136 [1,0,0,0,0,0|2,0,0]=3 347 B4R0.2 C(CO)CCl C109471 [1,0,0,0,0,0|2,0,0]=3 348 B4R0.2 C(CO)CF F404475 [1,0,0,0,0,0|2,0,0]=3 349 B4R0.2 C(CO)CI I139105 [1,0,0,0,0,0|2,0,0]=3 350 B4R0.2 C(CO)CO P108206 [1,0,0,0,0,0|2,0,0]=3 351 B4R0.2 C(CO)CO P108207 [1,0,0,0,0,0|2,0,0]=3 352 B4R0.2 C(CO)CO P108208 [1,0,0,0,0,0|2,0,0]=3 353 B4R0.2 C(CO)CO P432773 [1,0,0,0,0,0|2,0,0]=3 354 B4R0.2 C(CO)CS M158215 [1,0,0,0,0,0|2,0,0]=3 355 B4R0.2 C(CO)NN H113414 [1,0,0,0,0,0|1,0,0]=2 356 B4R0.2 C(CON)N A193083 [1,0,0,0,0,0|3,0,0]=4 357 B4R0.2 C(CS)C#N M302020 [1,0,0,0,0,0|2,1,0]=4 358 B4R0.2 C(CS)CS P100845 [1,0,0,0,0,0|2,1,0]=4 359 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|2,0,1]=4 360 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|2,0,1]=4 361 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|1,0,1]=3 363 B4R0.2 CC#CCO B111064 [1,0,0,0,0,0|1,0,1]=3 364 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|2,0,1]=4 366 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|1,0,1]=3 367 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|1,0,2]=4 369 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|1,0,2]=4 370 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|1,0,2]=4 371 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|2,0,0]=3 372 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|2,0,0]=3 373 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|2,0,0]=3 374 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|2,0,0]=3 375 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|2,0,0]=3 376 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|2,0,0]=3 377 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|2,0,0]=3 378 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|2,0,0]=3 379 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|2,0,0]=3 380 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|2,0,0]=3 381 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|2,0,0]=3 382 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|2,0,0]=3 383 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|2,0,0]=3 384 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|2,0,0]=3 385 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|2,0,0]=3 386 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|2,0,0]=3 387 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|2,0,0]=3 388 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|2,0,0]=3 389 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|2,0,0]=3 391 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|2,0,0]=3 392 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|2,0,0]=3 393 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|1,0,0]=2 394 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|1,0,0]=2 395 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|1,0,0]=2 396 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|1,0,0]=2 397 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|1,0,0]=2 398 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|1,0,0]=2 399 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|1,0,0]=2 400 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|1,0,0]=2 401 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|1,0,0]=2 402 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|1,0,0]=2 403 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|1,0,0]=2 404 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|1,0,0]=2 405 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|1,0,0]=2 406 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|1,0,0]=2 407 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|1,1,0]=3 408 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|1,1,0]=3 409 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|2,0,0]=3 410 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|2,0,0]=3 411 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|1,0,1]=3 412 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|1,0,1]=3 413 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|1,0,1]=3 414 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|1,0,1]=3 415 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|1,0,1]=3 416 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|1,0,1]=3 417 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|1,0,0]=2 418 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|2,0,0]=3 419 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|3,0,0]=4 420 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|3,0,0]=4 421 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|3,0,0]=4 422 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|3,0,0]=4 423 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|3,0,0]=4 424 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|3,0,0]=4 425 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|3,0,0]=4 426 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|3,0,0]=4 427 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|3,0,0]=4 428 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|3,0,0]=4 429 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|3,0,0]=4 430 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|3,0,0]=4 431 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|3,0,0]=4 432 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|3,0,0]=4 433 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|3,0,0]=4 434 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|3,0,0]=4 435 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|3,0,0]=4 436 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|3,0,0]=4 437 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|3,0,0]=4 438 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|2,1,0]=4 439 B4R0.2 CNCC#C N467806 [1,0,0,0,0,0|1,0,1]=3 440 B4R0.2 CNCC#N M102241 [1,0,0,0,0,0|1,0,1]=3 441 B4R0.2 CNCC#N M158300 [1,0,0,0,0,0|1,0,1]=3 442 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|1,0,1]=3 443 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|1,0,0]=2 444 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|1,0,0]=2 445 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|1,0,0]=2 446 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|0,0,0]=1 447 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|0,0,0]=1 448 B4R0.2 COCC#C M157951 [1,0,0,0,0,0|2,0,1]=4 449 B4R0.2 COCC#N M158576 [1,0,0,0,0,0|2,0,1]=4 450 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|2,0,1]=4 451 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|2,0,0]=3 452 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|2,0,0]=3 453 B4R0.2 COCCN M138018 [1,0,0,0,0,0|2,0,0]=3 454 B4R0.2 COCCN M404735 [1,0,0,0,0,0|2,0,0]=3 455 B4R0.2 COCCN M493557 [1,0,0,0,0,0|2,0,0]=3 456 B4R0.2 COCCO M102852 [1,0,0,0,0,0|1,0,0]=2 457 B4R0.2 COCCO M102853 [1,0,0,0,0,0|1,0,0]=2 458 B4R0.2 COCCO M102854 [1,0,0,0,0,0|1,0,0]=2 459 B4R0.2 COCCO M102855 [1,0,0,0,0,0|1,0,0]=2 460 B4R0.2 COCCO M102856 [1,0,0,0,0,0|1,0,0]=2 461 B4R0.2 COCCO M102857 [1,0,0,0,0,0|1,0,0]=2 462 B4R0.2 COCCO M102858 [1,0,0,0,0,0|1,0,0]=2 463 B4R0.2 COCCO M119725 [1,0,0,0,0,0|1,0,0]=2 464 B4R0.2 COCOC D101433 [1,0,0,0,0,0|3,0,0]=4 465 B4R0.2 COCOC D101436 [1,0,0,0,0,0|3,0,0]=4 466 B4R0.2 COCOC F431409 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.2 CSCC#N M158307 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|2,0,1]=4 469 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|2,0,0]=3 470 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|2,0,0]=3 471 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|2,0,0]=3 472 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|1,0,0]=2 473 B4R0.2 CSCSC B140648 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.1 C(C(=O)NCO)Cl C169257 [0,1,0,0,0,0|3,0,0]=4 475 B6R0.1 C(CO)C(CO)O B105549 [0,1,0,0,0,0|2,0,0]=3 476 B6R0.1 C(CO)C(CO)O B118474 [0,1,0,0,0,0|2,0,0]=3 477 B6R0.1 C(CO)C(CO)O R472595 [0,1,0,0,0,0|2,0,0]=3 478 B6R0.1 C(CO)C(CO)O S102777 [0,1,0,0,0,0|2,0,0]=3 479 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|1,0,2]=4 480 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|1,0,0]=2 481 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|3,0,0]=4 482 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|3,0,0]=4 483 B6R0.1 CCC(CCN)N D155073 [0,1,0,0,0,0|3,0,0]=4 484 B6R0.1 CCCC(=O)CC H106710 [0,1,0,0,0,0|3,0,0]=4 485 B6R0.1 CCCC(=O)OC M100038 [0,1,0,0,0,0|3,0,0]=4 486 B6R0.1 CCCC(=O)OC M100039 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.1 CCCC(=O)OC M100040 [0,1,0,0,0,0|3,0,0]=4 488 B6R0.1 CCCC(=O)SC M102997 [0,1,0,0,0,0|3,0,0]=4 489 B6R0.1 CCCC(C)C=O M158691 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|2,0,0]=3 491 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|2,0,0]=3 492 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|3,0,0]=4 493 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|3,0,0]=4 494 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|3,0,0]=4 495 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|3,0,0]=4 496 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|3,0,0]=4 497 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|3,0,0]=4 498 B6R0.1 COC(=O)CCBr M158830 [0,1,0,0,0,0|3,0,0]=4 499 B6R0.1 COC(=O)CCN A104532 [0,1,0,0,0,0|3,0,0]=4 500 B6R0.1 COC(=O)CCO D304149 [0,1,0,0,0,0|2,0,0]=3 501 B6R0.1 COC(=O)CCS M107600 [0,1,0,0,0,0|2,1,0]=4 502 B6R0.2 B(C=C(C)C)(O)O M587289 [0,1,0,0,0,0|2,0,1]=4 503 B6R0.2 B(CC(C)C)(O)O M120307 [0,1,0,0,0,0|2,0,0]=3 504 B6R0.2 B(CC(C)C)(O)O M299536 [0,1,0,0,0,0|2,0,0]=3 505 B6R0.2 CC(=CC(=O)O)C D102028 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.2 CC(=O)CN(C)C D167514 [0,1,0,0,0,0|0,0,2]=3 507 B6R0.2 CC(C)C=C(C)C D155423 [0,1,0,0,0,0|2,0,1]=4 508 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|1,0,2]=4 512 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|1,0,2]=4 514 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,0,0,0,0|1,0,2]=4 515 B6R0.2 CC(C)CC(=O)O I108280 [0,1,0,0,0,0|1,0,1]=3 516 B6R0.2 CC(C)CC(=O)O I108281 [0,1,0,0,0,0|1,0,1]=3 517 B6R0.2 CC(C)CC(=O)O I424338 [0,1,0,0,0,0|1,0,1]=3 518 B6R0.2 CC(C)CC(=O)O I432771 [0,1,0,0,0,0|1,0,1]=3 519 B6R0.2 CC(C)CC(C)C D155236 [0,1,0,0,0,0|2,0,0]=3 520 B6R0.2 CC(C)CC(C)N D154510 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.2 CC(C)CC(C)O M104491 [0,1,0,0,0,0|1,0,0]=2 522 B6R0.2 CC(C)NC(C)C D108297 [0,1,0,0,0,0|3,0,0]=4 523 B6R0.2 CC(C)NC(C)C D108298 [0,1,0,0,0,0|3,0,0]=4 524 B6R0.2 CC(C)NC(C)C D108299 [0,1,0,0,0,0|3,0,0]=4 525 B6R0.2 CC(C)NC(C)C D108300 [0,1,0,0,0,0|3,0,0]=4 526 B6R0.2 CC(C)NC(C)C D108301 [0,1,0,0,0,0|3,0,0]=4 527 B6R0.2 CC(C)NC(C)C D135665 [0,1,0,0,0,0|3,0,0]=4 528 B6R0.2 CC(C)NC(C)C D154669 [0,1,0,0,0,0|3,0,0]=4 529 B6R0.2 CC(C)NC(C)C D399268 [0,1,0,0,0,0|3,0,0]=4 530 B6R0.2 CC(C)NC(C)C D404340 [0,1,0,0,0,0|3,0,0]=4 531 B6R0.2 CC(C)NC(C)C D494183 [0,1,0,0,0,0|3,0,0]=4 532 B6R0.2 CC(C)OC(C)C I110454 [0,1,0,0,0,0|3,0,0]=4 533 B6R0.2 CC(C)OC(C)C I110455 [0,1,0,0,0,0|3,0,0]=4 534 B6R0.2 CC(C)OC(C)C I110457 [0,1,0,0,0,0|3,0,0]=4 535 B6R0.2 CC(C)OC(C)C I110458 [0,1,0,0,0,0|3,0,0]=4 536 B6R0.2 CC(C)OC(C)C I119694 [0,1,0,0,0,0|3,0,0]=4 537 B6R0.2 CC(C)SC(C)C I157604 [0,1,0,0,0,0|3,0,0]=4 538 B6R0.2 CC(CC(=O)O)Br B169132 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.2 CC(CC(=O)O)Cl C153466 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.2 CC(CC(=O)O)N A100948 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.2 CC(CC(=O)O)N H117041 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.2 CC(CC(=O)O)N R184127 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.2 CC(CC(=O)O)N S193074 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.2 CC(CC(=O)O)O P347707 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.2 CC(CC(=O)O)O R304188 [0,1,0,0,0,0|2,0,1]=4 546 B6R0.2 CC(CC(=O)O)O R425172 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.2 CC(CC(=O)O)O S161108 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.2 CC(CC(=O)O)O S194215 [0,1,0,0,0,0|2,0,1]=4 549 B6R0.2 CC(CC(=O)[O-])O B301134 [0,1,0,0,0,0|3,0,0]=4 550 B6R0.2 CC(CC(=O)[O-])O H121822 [0,1,0,0,0,0|3,0,0]=4 551 B6R0.2 CC(CC(=O)[O-])O X131756 [0,1,0,0,0,0|3,0,0]=4 552 B6R0.2 CC(CC(C)Br)Br D155303 [0,1,0,0,0,0|3,0,0]=4 553 B6R0.2 CC(CC(C)O)O R160958 [0,1,0,0,0,0|2,0,0]=3 554 B6R0.2 CC(CC(C)O)O S161001 [0,1,0,0,0,0|2,0,0]=3 555 B6R0.2 CC(CN(C)C)Cl C153815 [0,1,0,0,0,0|1,0,0]=2 556 B6R0.2 CC(CN(C)C)O B282542 [0,1,0,0,0,0|0,0,0]=1 557 B6R0.2 CC(CN(C)C)O D155704 [0,1,0,0,0,0|0,0,0]=1 558 B6R0.2 CN(C)CC(=O)O D115675 [0,1,0,0,0,0|0,0,1]=2 559 B6R0.2 CN(C)CC(=O)O N159831 [0,1,0,0,0,0|0,0,1]=2 560 B6R0.2 CN(C)CC(=O)O N420632 [0,1,0,0,0,0|0,0,1]=2 561 B6R0.2 CN(C)CN(C)C N159372 [0,1,0,0,0,0|2,0,0]=3 562 B6R0.3 C(C(C(=O)N)N)O S134102 [0,1,0,0,0,0|3,0,0]=4 563 B6R0.3 C(C(C(=O)O)N)O D423121 [0,1,0,0,0,0|3,0,0]=4 564 B6R0.3 C(C(C(=O)O)N)O D423225 [0,1,0,0,0,0|3,0,0]=4 565 B6R0.3 C(C(C(=O)O)N)O L424779 [0,1,0,0,0,0|3,0,0]=4 566 B6R0.3 C(C(C(=O)O)N)O L476400 [0,1,0,0,0,0|3,0,0]=4 567 B6R0.3 C(C(C(=O)O)N)O S103483 [0,1,0,0,0,0|3,0,0]=4 568 B6R0.3 C(C(C(=O)O)N)O S105977 [0,1,0,0,0,0|3,0,0]=4 569 B6R0.3 C(C(C(=O)O)N)O S108219 [0,1,0,0,0,0|3,0,0]=4 570 B6R0.3 C(C(C(=O)O)N)O S118658 [0,1,0,0,0,0|3,0,0]=4 571 B6R0.3 C(C(C(=O)O)N)O S137887 [0,1,0,0,0,0|3,0,0]=4 572 B6R0.3 C(C(C(=O)O)N)O S137888 [0,1,0,0,0,0|3,0,0]=4 573 B6R0.3 C(C(C(=O)O)N)O S432938 [0,1,0,0,0,0|3,0,0]=4 574 B6R0.3 C(C(C(=O)O)O)O D278734 [0,1,0,0,0,0|3,0,0]=4 575 B6R0.3 CC(C(CO)N)O S134976 [0,1,0,0,0,0|2,0,0]=3 576 B6R0.3 CC(C(CO)N)O T117147 [0,1,0,0,0,0|2,0,0]=3 577 B6R0.3 CC(C(CO)O)O B152043 [0,1,0,0,0,0|2,0,0]=3 578 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|1,0,0]=2 579 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|1,0,0]=2 580 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|1,0,0]=2 581 B6R0.3 CC(CO)C(=O)O R343446 [0,1,0,0,0,0|3,0,0]=4 582 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.3 CCC(=O)N(C)C D128096 [0,1,0,0,0,0|1,0,1]=3 584 B6R0.3 CCC(C(=O)C)S M102973 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|2,0,0]=3 586 B6R0.3 CCC(C)C(=O)C M158800 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|2,0,0]=3 589 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|1,0,2]=4 590 B6R0.3 CN(C)C(=O)CBr B185138 [0,1,0,0,0,0|1,0,1]=3 591 B6R0.3 CN(C)C(=O)CCl C107991 [0,1,0,0,0,0|1,0,1]=3 592 B6R0.3 CN(C)C(=O)CN A182307 [0,1,0,0,0,0|1,0,1]=3 593 B6R0.3 CN(C)C(=O)CO H587302 [0,1,0,0,0,0|0,0,1]=2 594 B6R0.3 CN(C)C(=S)NN D155254 [0,1,0,0,0,0|2,0,1]=4 595 B6R0.3 CNC(=O)N(C)C T348049 [0,1,0,0,0,0|2,0,1]=4 596 B6R0.3 CNC(=S)N(C)C T162220 [0,1,0,0,0,0|2,0,1]=4 597 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,1,0,0,0,0|3,0,0]=4 598 B6R0.4 C(CO)NC(=O)N H136122 [0,1,0,0,0,0|3,0,0]=4 599 B6R0.4 C(C[N+](=O)[O-])CO N164462 [0,1,0,0,0,0|2,0,1]=4 600 B6R0.4 CC(=CCCBr)C B470663 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.4 CC(=O)CCC=C H113634 [0,1,0,0,0,0|3,0,0]=4 602 B6R0.4 CC(=O)CCCBr B345087 [0,1,0,0,0,0|3,0,0]=4 603 B6R0.4 CC(=O)CCCCl C108070 [0,1,0,0,0,0|3,0,0]=4 604 B6R0.4 CC(=O)CCSC M135087 [0,1,0,0,0,0|2,1,0]=4 605 B6R0.4 CC(=O)NCCN A117219 [0,1,0,0,0,0|3,0,0]=4 606 B6R0.4 CC(=O)NCCO A112970 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.4 CC(=O)NCCO A112971 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.4 CC(=O)NCCS N347842 [0,1,0,0,0,0|2,1,0]=4 609 B6R0.4 CC(=O)OCCBr B102635 [0,1,0,0,0,0|3,0,0]=4 610 B6R0.4 CC(=O)OCCCl A140396 [0,1,0,0,0,0|3,0,0]=4 611 B6R0.4 CC(=O)OCCN A588049 [0,1,0,0,0,0|3,0,0]=4 612 B6R0.4 CC(=O)OCCO H156959 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.4 CC(=O)SCCN T340735 [0,1,0,0,0,0|3,0,0]=4 614 B6R0.4 CC(C)CCC#N I157667 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.4 CC(C)CCC=O M586390 [0,1,0,0,0,0|1,0,1]=3 616 B6R0.4 CC(C)CCCBr B152440 [0,1,0,0,0,0|2,0,0]=3 617 B6R0.4 CC(C)CCCO I136441 [0,1,0,0,0,0|1,0,0]=2 618 B6R0.4 CC(C)CN=C=S I140612 [0,1,0,0,0,0|1,1,1]=4 619 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|2,0,1]=4 620 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|2,0,1]=4 621 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|1,0,2]=4 622 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|1,0,2]=4 623 B6R0.4 CC(C)CON=O I157486 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.4 CC(C)NCCN N159348 [0,1,0,0,0,0|2,0,0]=3 626 B6R0.4 CC(C)NCCO I157482 [0,1,0,0,0,0|1,0,0]=2 627 B6R0.4 CC(C)NCCO I431393 [0,1,0,0,0,0|1,0,0]=2 628 B6R0.4 CC(C)OCCO I106814 [0,1,0,0,0,0|1,0,0]=2 629 B6R0.4 CC(CCCBr)Br D155307 [0,1,0,0,0,0|3,0,0]=4 630 B6R0.4 CC(CCCO)O P171240 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.4 CCCCC(=O)C H105743 [0,1,0,0,0,0|3,0,0]=4 632 B6R0.4 CCCCC(=O)C H105744 [0,1,0,0,0,0|3,0,0]=4 633 B6R0.4 CCCCC(=O)C H111491 [0,1,0,0,0,0|3,0,0]=4 634 B6R0.4 CCCCC(=O)C H141140 [0,1,0,0,0,0|3,0,0]=4 635 B6R0.4 CCCCC(C)C M158516 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.4 CCCCC(C)Cl C153661 [0,1,0,0,0,0|3,0,0]=4 637 B6R0.4 CCCCC(C)N B301374 [0,1,0,0,0,0|3,0,0]=4 638 B6R0.4 CCCCC(C)O H105565 [0,1,0,0,0,0|3,0,0]=4 639 B6R0.4 CCCCC(C)O I170762 [0,1,0,0,0,0|3,0,0]=4 640 B6R0.4 CCCCC(C)O R588494 [0,1,0,0,0,0|3,0,0]=4 641 B6R0.4 CCCCN(C)C D108036 [0,1,0,0,0,0|1,0,0]=2 642 B6R0.4 CCCOC(=O)C P103882 [0,1,0,0,0,0|3,0,0]=4 643 B6R0.4 CCCOC(=O)C P103883 [0,1,0,0,0,0|3,0,0]=4 644 B6R0.4 CCCSC(=O)C S161333 [0,1,0,0,0,0|3,0,0]=4 645 B6R0.4 CCCSC(C)C I157608 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.4 CCOCC(C)O E110143 [0,1,0,0,0,0|3,0,0]=4 647 B6R0.4 CN(C)C=CC#N D155421 [0,1,0,0,0,0|1,0,2]=4 648 B6R0.4 CN(C)C=CC#N I169860 [0,1,0,0,0,0|1,0,2]=4 649 B6R0.4 CN(C)C=CC=O D139445 [0,1,0,0,0,0|0,0,3]=4 650 B6R0.4 CN(C)CCC#N D135309 [0,1,0,0,0,0|1,0,0]=2 651 B6R0.4 CN(C)CCCBr B194072 [0,1,0,0,0,0|1,0,0]=2 652 B6R0.4 CN(C)CCCCl C353600 [0,1,0,0,0,0|1,0,0]=2 653 B6R0.4 CN(C)CCCCl D154697 [0,1,0,0,0,0|1,0,0]=2 654 B6R0.4 CN(C)CCCN D110909 [0,1,0,0,0,0|1,0,0]=2 655 B6R0.4 CN(C)CCCN N493682 [0,1,0,0,0,0|1,0,0]=2 656 B6R0.4 CN(C)CCCN N494190 [0,1,0,0,0,0|1,0,0]=2 657 B6R0.4 CN(C)CCCO D106344 [0,1,0,0,0,0|0,0,0]=1 658 B6R0.4 CNCCN(C)C N159374 [0,1,0,0,0,0|1,0,0]=2 659 B6R0.4 CNCCN(C)C N192745 [0,1,0,0,0,0|1,0,0]=2 660 B6R0.4 COCCC(=O)O M169065 [0,1,0,0,0,0|3,0,0]=4 661 B6R0.5 C(CO)C(F)(F)F T121584 [0,1,0,0,0,0|3,0,0]=4 662 B6R0.5 C(CS(=O)(=O)O)O H113068 [0,1,0,0,0,0|3,0,0]=4 663 B6R0.5 C(CS(=O)(=O)[O-])O H105362 [0,1,0,0,0,0|3,0,0]=4 664 B6R0.5 C(CS(=O)(=O)[O-])O I113069 [0,1,0,0,0,0|3,0,0]=4 665 B6R0.5 CC(C)(C)CC=O D133103 [0,1,0,0,0,0|1,0,2]=4 666 B6R0.5 CC(C)(C)CCBr B405387 [0,1,0,0,0,0|2,0,0]=3 667 B6R0.5 CC(C)(C)CCN D468789 [0,1,0,0,0,0|2,0,0]=3 668 B6R0.5 CC(C)(C)CCO D139098 [0,1,0,0,0,0|1,0,0]=2 669 B6R0.5 CC(C)(CC#N)O H167089 [0,1,0,0,0,0|2,0,1]=4 670 B6R0.5 CC(C)(CCN)O A483316 [0,1,0,0,0,0|2,0,0]=3 671 B6R0.5 CC(C)(CCO)O M106425 [0,1,0,0,0,0|1,0,0]=2 672 B6R0.5 CC(C)(CCO)S M138699 [0,1,0,0,0,0|1,0,0]=2 673 B6R0.5 CC(C)(CSC)N M588894 [0,1,0,0,0,0|3,0,0]=4 674 B6R0.5 CCCC(C)(C)C D106287 [0,1,0,0,0,0|2,0,0]=3 675 B6R0.5 CCC[N+](C)(C)C T162053 [0,1,0,0,0,0|1,0,1]=3 676 B6R0.5 CCC[Si](C)(C)Cl C153294 [0,1,0,0,0,0|2,0,0]=3 677 B6R0.5 CCC[Si](C)(Cl)Cl D349601 [0,1,0,0,0,0|3,0,0]=4 678 B6R0.5 CCOC(C)(C)C B108911 [0,1,0,0,0,0|3,0,0]=4 679 B6R0.5 CCOC(C)(C)C B108912 [0,1,0,0,0,0|3,0,0]=4 680 B6R0.5 CCO[Si](C)(C)C E109944 [0,1,0,0,0,0|3,0,0]=4 681 B6R0.5 CCO[Si](C)(C)C E140804 [0,1,0,0,0,0|3,0,0]=4 682 B6R0.5 COC[Si](C)(C)C M157801 [0,1,0,0,0,0|3,0,0]=4 683 B6R0.5 CS(=O)(=O)CCBr B587566 [0,1,0,0,0,0|3,0,0]=4 684 B6R0.5 CS(=O)(=O)CCN A130035 [0,1,0,0,0,0|3,0,0]=4 685 B6R0.5 CS(=O)(=O)CCN M589262 [0,1,0,0,0,0|3,0,0]=4 686 B6R0.5 CS(=O)(=O)CCO H157188 [0,1,0,0,0,0|2,0,0]=3 687 B6R0.5 C[N+](C)(C)CC#N C340935 [0,1,0,0,0,0|1,0,2]=4 688 B6R0.5 C[N+](C)(C)CC=C A191081 [0,1,0,0,0,0|1,0,2]=4 689 B6R0.5 C[N+](C)(C)CCBr B108989 [0,1,0,0,0,0|1,0,1]=3 690 B6R0.5 C[N+](C)(C)CCCl C113520 [0,1,0,0,0,0|1,0,1]=3 691 B6R0.5 C[N+](C)(C)CCCl C114434 [0,1,0,0,0,0|1,0,1]=3 692 B6R0.5 C[N+](C)(C)CCCl C114435 [0,1,0,0,0,0|1,0,1]=3 693 B6R0.5 C[N+](C)(C)CCN A339683 [0,1,0,0,0,0|1,0,1]=3 694 B6R0.5 C[N+](C)(C)CCO C108896 [0,1,0,0,0,0|0,0,1]=2 695 B6R0.5 C[N+](C)(C)CCO C108897 [0,1,0,0,0,0|0,0,1]=2 696 B6R0.5 C[N+](C)(C)CCO C108898 [0,1,0,0,0,0|0,0,1]=2 697 B6R0.5 C[N+](C)(C)CCO C153893 [0,1,0,0,0,0|0,0,1]=2 698 B6R0.5 C[N+](C)(C)CCO C166651 [0,1,0,0,0,0|0,0,1]=2 699 B6R0.5 C[N+](C)(C)CCO C333456 [0,1,0,0,0,0|0,0,1]=2 700 B6R0.5 C[N+](C)(C)CCO C425396 [0,1,0,0,0,0|0,0,1]=2 701 B6R0.5 C[N+](C)(C)CCO C471988 [0,1,0,0,0,0|0,0,1]=2 702 B6R0.5 C[N+](C)(C)CCO C472029 [0,1,0,0,0,0|0,0,1]=2 703 B6R0.5 C[Si](C)(C)CC#C T339136 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.5 C[Si](C)(C)CC#N T305246 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.5 C[Si](C)(C)CC=C A107288 [0,1,0,0,0,0|2,0,1]=4 706 B6R0.5 C[Si](C)(C)CCBr B135566 [0,1,0,0,0,0|2,0,0]=3 707 B6R0.5 C[Si](C)(C)CCO T111253 [0,1,0,0,0,0|1,0,0]=2 708 B6R0.5 C[Si](C)(CC=C)Cl A151246 [0,1,0,0,0,0|2,0,1]=4 709 B6R1.2 C1CCC(=O)C1 C108566 [0,0,0,1,0,0|3,0,0]=4 710 B6R1.2 C1CCC(=O)C1 C108567 [0,0,0,1,0,0|3,0,0]=4 711 B6R1.2 C1CCC(=O)C1 C108568 [0,0,0,1,0,0|3,0,0]=4 712 B6R1.2 C1CCC(=O)C1 C108569 [0,0,0,1,0,0|3,0,0]=4 713 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|3,0,0]=4 714 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|3,0,0]=4 715 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|3,0,0]=4 716 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|3,0,0]=4 717 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|3,0,0]=4 718 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|3,0,0]=4 719 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|3,0,0]=4 720 B6R1.2 C1CCS(=O)C1 T162808 [0,0,0,1,0,0|3,0,0]=4 721 B6R1.2 C1CNCC1=O P176320 [0,0,0,1,0,0|3,0,0]=4 722 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|3,0,0]=4 723 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|3,0,0]=4 724 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|3,0,0]=4 725 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|3,0,0]=4 726 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|3,0,0]=4 727 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|3,0,0]=4 728 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|3,0,0]=4 729 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|3,0,0]=4 730 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|3,0,0]=4 731 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|3,0,0]=4 732 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|3,0,0]=4 733 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|3,0,0]=4 734 B6R1.2 C1COCC1=O T161567 [0,0,0,1,0,0|2,0,0]=3 735 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|2,0,0]=3 736 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|2,0,0]=3 737 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|2,0,0]=3 738 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|2,0,0]=3 739 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|2,0,0]=3 740 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|2,0,0]=3 741 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|2,0,0]=3 742 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|2,0,0]=3 743 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|2,0,0]=3 744 B6R1.2 C1CSCC1=O D106839 [0,0,0,1,0,0|2,1,0]=4 745 B6R1.2 C=C1CCCC1 M158228 [0,0,0,1,0,0|2,0,1]=4 746 B6R1.2 CC1=CCCC1 M158230 [0,0,0,1,0,0|2,0,1]=4 747 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|3,0,0]=4 748 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|2,0,0]=3 749 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|2,0,0]=3 750 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|2,0,0]=3 751 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|3,0,0]=4 752 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|3,0,0]=4 753 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|3,0,0]=4 754 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|3,0,0]=4 755 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|3,0,0]=4 756 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|3,0,0]=4 757 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|3,0,0]=4 758 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|3,0,0]=4 759 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|3,0,0]=4 760 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|2,0,0]=3 761 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|1,0,0]=2 762 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|2,0,0]=3 763 B6R1.2 CN1CCCC1 M109523 [0,0,0,1,0,0|1,0,0]=2 764 B6R1.3 C1C(O1)CCBr D302399 [0,0,0,1,0,0|3,0,0]=4 765 B6R1.3 C1CC1CC#N C339744 [0,0,0,1,0,0|2,0,1]=4 766 B6R1.3 C1CC1CCI I176162 [0,0,0,1,0,0|2,0,0]=3 767 B6R1.3 C1CC1CON O194839 [0,0,0,1,0,0|3,0,0]=4 768 B6R1.3 C1CN1CCO H157166 [0,0,0,1,0,0|0,0,0]=1 769 B6R1.3 CCCC1CO1 E156390 [0,0,0,1,0,0|3,0,0]=4 770 B6R1.5 C1C(CC1O)N C172673 [0,0,0,1,0,0|2,0,0]=3 771 B6R1.5 C1C(CC1O)N T172530 [0,0,0,1,0,0|2,0,0]=3 772 B6R1.5 CN1CC(C1)O H586376 [0,0,0,1,0,0|0,0,0]=1 773 B6R1.5 CN1CC(C1)O M175942 [0,0,0,1,0,0|0,0,0]=1 774 B6R1.10 CC1(CCC1)N M174981 [0,0,0,1,0,0|3,0,0]=4 775 B6R1.10 CC1(CCC1)O M491477 [0,0,0,1,0,0|3,0,0]=4 776 B6R1.10 C[Si]1(CCC1)C D168803 [0,0,0,1,0,0|2,0,0]=3 777 B6R1.10 C[Si]1(CCC1)Cl C168869 [0,0,0,1,0,0|3,0,0]=4 778 B6R1.11 CC(=O)C1CC1 C108050 [0,0,0,1,0,0|3,0,0]=4 779 B6R1.11 CC(C1CC1)N B300122 [0,0,0,1,0,0|3,0,0]=4 780 B6R1.11 CC(C1CC1)N R587936 [0,0,0,1,0,0|3,0,0]=4 781 B6R1.11 CC(C1CC1)N S175013 [0,0,0,1,0,0|3,0,0]=4 782 B6R1.11 CC(C1CC1)O C153900 [0,0,0,1,0,0|3,0,0]=4 783 B3R0.1 C#CCN P122408 [2,0,0,0,0,0|1,0,1]=4 784 B3R0.1 C#CCN P141472 [2,0,0,0,0,0|1,0,1]=4 785 B3R0.1 C#CCN p103552 [2,0,0,0,0,0|1,0,1]=4 786 B3R0.1 C(C#N)N A137266 [2,0,0,0,0,0|1,0,1]=4 787 B3R0.1 C(C#N)N A342115 [2,0,0,0,0,0|1,0,1]=4 788 B3R0.1 C(CBr)Cl B106996 [2,0,0,0,0,0|2,0,0]=4 789 B3R0.1 C(CBr)N B109291 [2,0,0,0,0,0|1,0,0]=3 790 B3R0.1 C(CBr)O B111177 [2,0,0,0,0,0|1,0,0]=3 791 B3R0.1 C(CBr)O B111178 [2,0,0,0,0,0|1,0,0]=3 792 B3R0.1 C(CBr)O B136478 [2,0,0,0,0,0|1,0,0]=3 793 B3R0.1 C(CCl)Cl D115109 [2,0,0,0,0,0|2,0,0]=4 794 B3R0.1 C(CCl)Cl D116246 [2,0,0,0,0,0|2,0,0]=4 795 B3R0.1 C(CCl)Cl D116247 [2,0,0,0,0,0|2,0,0]=4 796 B3R0.1 C(CCl)Cl D116248 [2,0,0,0,0,0|2,0,0]=4 797 B3R0.1 C(CCl)Cl D116249 [2,0,0,0,0,0|2,0,0]=4 798 B3R0.1 C(CCl)Cl D116251 [2,0,0,0,0,0|2,0,0]=4 799 B3R0.1 C(CCl)Cl D116253 [2,0,0,0,0,0|2,0,0]=4 800 B3R0.1 C(CCl)Cl D119458 [2,0,0,0,0,0|2,0,0]=4 801 B3R0.1 C(CCl)Cl D128127 [2,0,0,0,0,0|2,0,0]=4 802 B3R0.1 C(CCl)Cl D431341 [2,0,0,0,0,0|2,0,0]=4 803 B3R0.1 C(CCl)N C107599 [2,0,0,0,0,0|1,0,0]=3 804 B3R0.1 C(CF)N F138873 [2,0,0,0,0,0|1,0,0]=3 805 B3R0.1 C(CF)O F110315 [2,0,0,0,0,0|1,0,0]=3 806 B3R0.1 C(CI)Cl C140416 [2,0,0,0,0,0|2,0,0]=4 807 B3R0.1 C(CI)F F194951 [2,0,0,0,0,0|2,0,0]=4 808 B3R0.1 C(CI)I D155311 [2,0,0,0,0,0|2,0,0]=4 809 B3R0.1 C(CI)O I137311 [2,0,0,0,0,0|1,0,0]=3 810 B3R0.1 C(CI)O I575056 [2,0,0,0,0,0|1,0,0]=3 811 B3R0.1 C(CN)N D129174 [2,0,0,0,0,0|1,0,0]=3 812 B3R0.1 C(CN)N D189014 [2,0,0,0,0,0|1,0,0]=3 813 B3R0.1 C(CN)N E108437 [2,0,0,0,0,0|1,0,0]=3 814 B3R0.1 C(CN)N E112132 [2,0,0,0,0,0|1,0,0]=3 815 B3R0.1 C(CN)N E112640 [2,0,0,0,0,0|1,0,0]=3 816 B3R0.1 C(CN)N E112642 [2,0,0,0,0,0|1,0,0]=3 817 B3R0.1 C(CN)N E112643 [2,0,0,0,0,0|1,0,0]=3 818 B3R0.1 C(CN)N E137281 [2,0,0,0,0,0|1,0,0]=3 819 B3R0.1 C(CN)N E156113 [2,0,0,0,0,0|1,0,0]=3 820 B3R0.1 C(CN)N E431349 [2,0,0,0,0,0|1,0,0]=3 821 B3R0.1 C(CN)N E468771 [2,0,0,0,0,0|1,0,0]=3 822 B3R0.1 C(CN)N E472137 [2,0,0,0,0,0|1,0,0]=3 823 B3R0.1 C(CN)N E492758 [2,0,0,0,0,0|1,0,0]=3 824 B3R0.1 C(CN)N E492761 [2,0,0,0,0,0|1,0,0]=3 825 B3R0.1 C(CN)N E492905 [2,0,0,0,0,0|1,0,0]=3 826 B3R0.1 C(CN)N P121256 [2,0,0,0,0,0|1,0,0]=3 827 B3R0.1 C(CO)N A301834 [2,0,0,0,0,0|0,0,0]=2 828 B3R0.1 C(CO)N E103802 [2,0,0,0,0,0|0,0,0]=2 829 B3R0.1 C(CO)N E103806 [2,0,0,0,0,0|0,0,0]=2 830 B3R0.1 C(CO)N E103808 [2,0,0,0,0,0|0,0,0]=2 831 B3R0.1 C(CO)N E103809 [2,0,0,0,0,0|0,0,0]=2 832 B3R0.1 C(CO)N E103810 [2,0,0,0,0,0|0,0,0]=2 833 B3R0.1 C(CO)N E120635 [2,0,0,0,0,0|0,0,0]=2 834 B3R0.1 C(CO)N E292771 [2,0,0,0,0,0|0,0,0]=2 835 B3R0.1 C(CO)N E292783 [2,0,0,0,0,0|0,0,0]=2 836 B3R0.1 C(CO)N E301792 [2,0,0,0,0,0|0,0,0]=2 837 B3R0.1 C(CO)N E422436 [2,0,0,0,0,0|0,0,0]=2 838 B3R0.1 C(CO)N E491883 [2,0,0,0,0,0|0,0,0]=2 839 B3R0.1 C(CO)O E103318 [2,0,0,0,0,0|1,0,0]=3 840 B3R0.1 C(CO)O E103319 [2,0,0,0,0,0|1,0,0]=3 841 B3R0.1 C(CO)O E103321 [2,0,0,0,0,0|1,0,0]=3 842 B3R0.1 C(CO)O E103322 [2,0,0,0,0,0|1,0,0]=3 843 B3R0.1 C(CO)O E103323 [2,0,0,0,0,0|1,0,0]=3 844 B3R0.1 C(CO)O E119700 [2,0,0,0,0,0|1,0,0]=3 845 B3R0.1 C(CO)O E336117 [2,0,0,0,0,0|1,0,0]=3 846 B3R0.1 C(CO)O E431350 [2,0,0,0,0,0|1,0,0]=3 847 B3R0.1 C(CO)O E472164 [2,0,0,0,0,0|1,0,0]=3 848 B3R0.1 C(CS)N C106201 [2,0,0,0,0,0|0,1,0]=3 849 B3R0.1 C(CS)N C106461 [2,0,0,0,0,0|0,1,0]=3 850 B3R0.1 C(CS)N C406662 [2,0,0,0,0,0|0,1,0]=3 851 B3R0.1 C(CS)N C421874 [2,0,0,0,0,0|0,1,0]=3 852 B3R0.1 C(CS)N C425002 [2,0,0,0,0,0|0,1,0]=3 853 B3R0.1 C(CS)N E491887 [2,0,0,0,0,0|0,1,0]=3 854 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|1,0,0]=3 855 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|1,0,0]=3 856 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|1,0,0]=3 857 B3R0.1 C(CS)S E106222 [2,0,0,0,0,0|1,1,0]=4 858 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|1,0,1]=4 859 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|1,0,1]=4 860 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|1,0,1]=4 861 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|1,0,1]=4 862 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|1,0,1]=4 863 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|1,0,1]=4 864 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,2]=4 865 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,2]=4 866 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,0]=3 867 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,0]=3 868 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,0]=3 869 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,0]=3 870 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,0]=3 871 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,0]=3 872 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,0]=3 873 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,0]=3 874 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,0]=3 875 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,0]=3 876 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,0]=3 877 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,0]=3 878 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,0]=3 879 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,0]=3 880 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,0,0]=2 881 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,0,0]=2 882 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,0,0]=2 883 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,0,0]=2 884 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,0,0]=2 885 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,0,0]=2 886 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,0,0]=2 887 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,0,0]=2 888 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,0,0]=2 889 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,1,0]=3 890 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,1,0]=3 891 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|1,0,0]=3 892 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|1,0,0]=3 893 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|1,0,0]=3 894 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|1,0,0]=3 895 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|1,0,0]=3 896 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,0,1]=3 897 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,0,1]=3 898 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,1,0]=3 899 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,0,0]=3 900 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 901 B3R0.1 CCSC E140654 [2,0,0,0,0,0|1,0,0]=3 902 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|1,0,0]=3 903 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|0,0,1]=3 904 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|0,0,1]=3 905 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|0,0,1]=3 906 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|0,0,2]=4 907 B3R0.1 CNOC D123576 [2,0,0,0,0,0|1,0,0]=3 908 B3R0.1 COCBr B138143 [2,0,0,0,0,0|2,0,0]=4 909 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|2,0,0]=4 910 B3R0.1 C[Se][Se]C D133995 [2,0,0,0,0,0|2,0,0]=4 911 B3R0.2 B(C)(O)O M120271 [2,0,0,0,0,0|2,0,0]=4 912 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|1,0,1]=4 913 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|1,0,1]=4 914 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|1,0,1]=4 915 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|1,0,1]=4 916 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|1,0,1]=4 917 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|1,0,1]=4 918 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|1,0,1]=4 919 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|1,0,1]=4 920 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|1,0,1]=4 921 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|1,0,1]=4 922 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|1,0,1]=4 923 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|1,0,1]=4 924 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|1,0,1]=4 925 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|1,0,1]=4 926 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|1,0,1]=4 927 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|1,0,1]=4 928 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|2,0,0]=4 929 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|2,0,0]=4 930 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|2,0,0]=4 931 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|2,0,0]=4 932 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|2,0,0]=4 933 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|2,0,0]=4 934 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|2,0,0]=4 935 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|2,0,0]=4 936 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|2,0,0]=4 937 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|2,0,0]=4 938 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|2,0,0]=4 939 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|2,0,0]=4 940 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|2,0,0]=4 941 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|2,0,0]=4 942 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|2,0,0]=4 943 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|2,0,0]=4 944 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|2,0,0]=4 945 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|2,0,0]=4 946 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|2,0,0]=4 947 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|2,0,0]=4 948 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|2,0,0]=4 949 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|2,0,0]=4 950 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|2,0,0]=4 951 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|2,0,0]=4 952 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|2,0,0]=4 953 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|2,0,0]=4 954 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|2,0,0]=4 955 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|2,0,0]=4 956 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|2,0,0]=4 957 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|2,0,0]=4 958 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|2,0,0]=4 959 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|2,0,0]=4 960 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|2,0,0]=4 961 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|2,0,0]=4 962 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|2,0,0]=4 963 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|2,0,0]=4 964 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|2,0,0]=4 965 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|2,0,0]=4 966 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|2,0,0]=4 967 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|2,0,0]=4 968 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|2,0,0]=4 969 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|2,0,0]=4 970 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|2,0,0]=4 971 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|2,0,0]=4 972 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|2,0,0]=4 973 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|2,0,0]=4 974 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|2,0,0]=4 975 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|2,0,0]=4 976 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|1,0,0]=3 977 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|1,0,0]=3 978 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|1,0,0]=3 979 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|1,0,0]=3 980 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|1,0,0]=3 981 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|1,0,0]=3 982 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|1,0,0]=3 983 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|1,0,0]=3 984 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|1,0,0]=3 985 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|1,0,0]=3 986 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|1,0,0]=3 987 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|1,0,0]=3 988 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|1,0,0]=3 989 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|1,0,0]=3 990 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|1,0,0]=3 991 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|1,0,0]=3 992 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|1,0,0]=3 993 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|1,1,0]=4 994 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|1,0,1]=4 995 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|1,0,1]=4 996 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|1,0,1]=4 997 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|1,0,1]=4 998 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|1,0,1]=4 999 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|1,0,1]=4 1000 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|1,0,1]=4 1001 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|1,0,1]=4 1002 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|1,0,1]=4 1003 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|1,0,1]=4 1004 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|0,0,0]=2 1005 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|0,0,0]=2 1006 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|0,0,0]=2 1007 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|0,0,0]=2 1008 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|0,0,0]=2 1009 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|0,0,0]=2 1010 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|0,0,0]=2 1011 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|0,1,0]=3 1012 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|0,1,0]=3 1013 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,1]=4 1014 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,1]=4 1015 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,1]=4 1016 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,1]=4 1017 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,1]=4 1018 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,1]=4 1019 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,1]=4 1020 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,1]=4 1021 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,1]=4 1022 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,1]=4 1023 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,1]=4 1024 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,1]=4 1025 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,1]=4 1026 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,1]=4 1027 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,1]=4 1028 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,1]=4 1029 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,1]=4 1030 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,1]=4 1031 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,1]=4 1032 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 1033 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|1,0,0]=3 1034 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|1,0,0]=3 1035 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|0,0,2]=4 1036 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|0,1,1]=4 1037 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 1038 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|1,0,0]=3 1039 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|1,0,0]=3 1040 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|1,0,0]=3 1041 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|1,0,1]=4 1042 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|1,0,0]=3 1043 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|1,0,0]=3 1044 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|1,0,0]=3 1045 B5R0.3 C(C(CBr)Br)O D154495 [1,1,0,0,0,0|2,0,0]=4 1046 B5R0.3 C(C(CBr)O)O B133715 [1,1,0,0,0,0|2,0,0]=4 1047 B5R0.3 C(C(CCl)Cl)O D154496 [1,1,0,0,0,0|2,0,0]=4 1048 B5R0.3 C(C(CCl)O)O C106058 [1,1,0,0,0,0|2,0,0]=4 1049 B5R0.3 C(C(CCl)O)O C106059 [1,1,0,0,0,0|2,0,0]=4 1050 B5R0.3 C(C(CCl)O)O C356973 [1,1,0,0,0,0|2,0,0]=4 1051 B5R0.3 C(C(CO)N)O A100952 [1,1,0,0,0,0|2,0,0]=4 1052 B5R0.3 C(C(CO)N)O A101351 [1,1,0,0,0,0|2,0,0]=4 1053 B5R0.3 C(C(CO)O)N A101946 [1,1,0,0,0,0|2,0,0]=4 1054 B5R0.3 C(C(CO)O)N A103187 [1,1,0,0,0,0|2,0,0]=4 1055 B5R0.3 C(C(CO)O)N A107504 [1,1,0,0,0,0|2,0,0]=4 1056 B5R0.3 C(C(CO)O)O G116202 [1,1,0,0,0,0|2,0,0]=4 1057 B5R0.3 C(C(CO)O)O G116203 [1,1,0,0,0,0|2,0,0]=4 1058 B5R0.3 C(C(CO)O)O G116205 [1,1,0,0,0,0|2,0,0]=4 1059 B5R0.3 C(C(CO)O)O G116206 [1,1,0,0,0,0|2,0,0]=4 1060 B5R0.3 C(C(CO)O)O G116208 [1,1,0,0,0,0|2,0,0]=4 1061 B5R0.3 C(C(CO)O)O G116209 [1,1,0,0,0,0|2,0,0]=4 1062 B5R0.3 C(C(CO)O)O G116213 [1,1,0,0,0,0|2,0,0]=4 1063 B5R0.3 C(C(CO)O)O G116214 [1,1,0,0,0,0|2,0,0]=4 1064 B5R0.3 C(C(CO)O)O G116215 [1,1,0,0,0,0|2,0,0]=4 1065 B5R0.3 C(C(CO)O)O G117555 [1,1,0,0,0,0|2,0,0]=4 1066 B5R0.3 C(C(CO)O)O G117556 [1,1,0,0,0,0|2,0,0]=4 1067 B5R0.3 C(C(CO)O)O G294877 [1,1,0,0,0,0|2,0,0]=4 1068 B5R0.3 C(C(CO)O)O G334451 [1,1,0,0,0,0|2,0,0]=4 1069 B5R0.3 C(C(CO)O)O G424796 [1,1,0,0,0,0|2,0,0]=4 1070 B5R0.3 C(C(CO)O)O G472031 [1,1,0,0,0,0|2,0,0]=4 1071 B5R0.3 C(C(CO)O)O G474157 [1,1,0,0,0,0|2,0,0]=4 1072 B5R0.3 C(C(CS)O)O T109440 [1,1,0,0,0,0|2,0,0]=4 1073 B5R0.3 C(C(CS)O)O T109441 [1,1,0,0,0,0|2,0,0]=4 1074 B5R0.3 C(C(CS)O)O T109442 [1,1,0,0,0,0|2,0,0]=4 1075 B5R0.3 C(C(CS)O)O T141418 [1,1,0,0,0,0|2,0,0]=4 1076 B5R0.3 C(C(CS)S)O D106477 [1,1,0,0,0,0|2,0,0]=4 1077 B5R0.3 C(C(CS)S)O D424962 [1,1,0,0,0,0|2,0,0]=4 1078 B5R0.3 C=C(CO)CO M158762 [1,1,0,0,0,0|1,0,1]=4 1079 B5R0.3 CC(CN)CO A483603 [1,1,0,0,0,0|1,0,0]=3 1080 B5R0.3 CC(CO)CBr R469876 [1,1,0,0,0,0|1,0,0]=3 1081 B5R0.3 CC(CO)CBr S469920 [1,1,0,0,0,0|1,0,0]=3 1082 B5R0.3 CC(CO)CO M141411 [1,1,0,0,0,0|1,0,0]=3 1083 B5R0.3 CC(CO)OC R194193 [1,1,0,0,0,0|1,0,0]=3 1084 B5R0.3 CC(OC)OC D155919 [1,1,0,0,0,0|2,0,0]=4 1085 B5R0.3 CCC(=C)CC E156179 [1,1,0,0,0,0|1,0,1]=4 1086 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|1,0,0]=3 1087 B5R0.3 CCC(=NO)C B105233 [1,1,0,0,0,0|2,0,0]=4 1088 B5R0.3 CCC(=O)CC P103791 [1,1,0,0,0,0|2,0,0]=4 1089 B5R0.3 CCC(=O)CC P103792 [1,1,0,0,0,0|2,0,0]=4 1090 B5R0.3 CCC(=O)CC P103794 [1,1,0,0,0,0|2,0,0]=4 1091 B5R0.3 CCC(=O)CO H193640 [1,1,0,0,0,0|2,0,0]=4 1092 B5R0.3 CCC(=O)NC N159394 [1,1,0,0,0,0|2,0,0]=4 1093 B5R0.3 CCC(=O)OC M110420 [1,1,0,0,0,0|2,0,0]=4 1094 B5R0.3 CCC(=O)OC M110421 [1,1,0,0,0,0|2,0,0]=4 1095 B5R0.3 CCC(=O)OC M110422 [1,1,0,0,0,0|2,0,0]=4 1096 B5R0.3 CCC(=O)OC M491732 [1,1,0,0,0,0|2,0,0]=4 1097 B5R0.3 CCC(=O)SC S404755 [1,1,0,0,0,0|2,0,0]=4 1098 B5R0.3 CCC(C)C#N M158304 [1,1,0,0,0,0|1,0,1]=4 1099 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|1,0,1]=4 1100 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|1,0,1]=4 1101 B5R0.3 CCC(C)CBr B120302 [1,1,0,0,0,0|1,0,0]=3 1102 B5R0.3 CCC(C)CBr B188983 [1,1,0,0,0,0|1,0,0]=3 1103 B5R0.3 CCC(C)CC M109051 [1,1,0,0,0,0|1,0,0]=3 1104 B5R0.3 CCC(C)CC M109052 [1,1,0,0,0,0|1,0,0]=3 1105 B5R0.3 CCC(C)CCl C153548 [1,1,0,0,0,0|1,0,0]=3 1106 B5R0.3 CCC(C)CCl S160982 [1,1,0,0,0,0|1,0,0]=3 1107 B5R0.3 CCC(C)CI I157547 [1,1,0,0,0,0|1,0,0]=3 1108 B5R0.3 CCC(C)CN S467250 [1,1,0,0,0,0|1,0,0]=3 1109 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|1,0,0]=3 1110 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|1,0,0]=3 1111 B5R0.3 CCC(C)CS M103069 [1,1,0,0,0,0|1,0,0]=3 1112 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|1,0,0]=3 1113 B5R0.3 CCC(CBr)Br D102336 [1,1,0,0,0,0|2,0,0]=4 1114 B5R0.3 CCC(CBr)O B152045 [1,1,0,0,0,0|2,0,0]=4 1115 B5R0.3 CCC(CC)Br B106965 [1,1,0,0,0,0|2,0,0]=4 1116 B5R0.3 CCC(CC)N A133949 [1,1,0,0,0,0|2,0,0]=4 1117 B5R0.3 CCC(CC)O P109359 [1,1,0,0,0,0|2,0,0]=4 1118 B5R0.3 CCC(CCl)Cl D155318 [1,1,0,0,0,0|2,0,0]=4 1119 B5R0.3 CCC(CN)O A151121 [1,1,0,0,0,0|2,0,0]=4 1120 B5R0.3 CCC(CO)N A106025 [1,1,0,0,0,0|2,0,0]=4 1121 B5R0.3 CCC(CO)N A107264 [1,1,0,0,0,0|2,0,0]=4 1122 B5R0.3 CCC(CO)N A107265 [1,1,0,0,0,0|2,0,0]=4 1123 B5R0.3 CCC(CO)O B153217 [1,1,0,0,0,0|2,0,0]=4 1124 B5R0.3 CCC(CO)O B300651 [1,1,0,0,0,0|2,0,0]=4 1125 B5R0.3 CCC(CO)O R160952 [1,1,0,0,0,0|2,0,0]=4 1126 B5R0.3 CCC(CO)O S161003 [1,1,0,0,0,0|2,0,0]=4 1127 B5R0.3 CCC(CS)S B152748 [1,1,0,0,0,0|2,0,0]=4 1128 B5R0.3 CCN(C)CC N159249 [1,1,0,0,0,0|0,0,0]=2 1129 B5R0.3 CCN(C)N=O N114391 [1,1,0,0,0,0|1,0,0]=3 1130 B5R0.3 CCN(CC)O D109383 [1,1,0,0,0,0|1,0,0]=3 1131 B5R0.3 CCN(CC)O N432573 [1,1,0,0,0,0|1,0,0]=3 1132 B5R0.3 CCS(=O)CC E589941 [1,1,0,0,0,0|2,0,0]=4 1133 B5R0.3 CC[P+](=O)CC D332476 [1,1,0,0,0,0|1,1,0]=4 1134 B5R0.3 CC[Si](C)CC D337339 [1,1,0,0,0,0|1,0,0]=3 1135 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|0,0,2]=4 1136 B5R0.3 COC(=O)CO M101718 [1,1,0,0,0,0|2,0,0]=4 1137 B5R0.4 CC(C)(C)CBr B472553 [1,1,0,0,0,0|2,0,0]=4 1138 B5R0.4 CC(C)(C)CN D191210 [1,1,0,0,0,0|2,0,0]=4 1139 B5R0.4 CC(C)(C)CN N159082 [1,1,0,0,0,0|2,0,0]=4 1140 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|1,0,0]=3 1141 B5R0.4 CC(C)(C)NC N339191 [1,1,0,0,0,0|2,0,0]=4 1142 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|2,0,0]=4 1143 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|2,0,0]=4 1144 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|2,0,0]=4 1145 B5R0.4 CC(C)(C)OC B108113 [1,1,0,0,0,0|2,0,0]=4 1146 B5R0.4 CC(C)(C)OC B108114 [1,1,0,0,0,0|2,0,0]=4 1147 B5R0.4 CC(C)(C)OC B108115 [1,1,0,0,0,0|2,0,0]=4 1148 B5R0.4 CC(C)(C)OC B108116 [1,1,0,0,0,0|2,0,0]=4 1149 B5R0.4 CC(C)(C)OC B108117 [1,1,0,0,0,0|2,0,0]=4 1150 B5R0.4 CC(C)(C)OC B108119 [1,1,0,0,0,0|2,0,0]=4 1151 B5R0.4 CC(C)(C)OC B108120 [1,1,0,0,0,0|2,0,0]=4 1152 B5R0.4 CC(C)(C)OC B108121 [1,1,0,0,0,0|2,0,0]=4 1153 B5R0.4 CC(C)(C)OC B119671 [1,1,0,0,0,0|2,0,0]=4 1154 B5R0.4 CC(C)(C)OC T432179 [1,1,0,0,0,0|2,0,0]=4 1155 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|2,0,0]=4 1156 B5R0.4 CC(C)(CBr)Br D472522 [1,1,0,0,0,0|2,0,0]=4 1157 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|2,0,0]=4 1158 B5R0.4 CC(C)(CCl)Cl D589600 [1,1,0,0,0,0|2,0,0]=4 1159 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|2,0,0]=4 1160 B5R0.4 CC(C)(CN)N D155077 [1,1,0,0,0,0|2,0,0]=4 1161 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|2,0,0]=4 1162 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|1,0,0]=3 1163 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|1,0,0]=3 1164 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|1,0,0]=3 1165 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|1,0,0]=3 1166 B5R0.4 CC(CO)(F)F D169652 [1,1,0,0,0,0|2,0,0]=4 1167 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|1,0,0]=3 1168 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|1,0,0]=3 1169 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|1,0,0]=3 1170 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|1,0,0]=3 1171 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|1,0,0]=3 1172 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|1,0,0]=3 1173 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|1,0,0]=3 1174 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|1,0,0]=3 1175 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|1,0,0]=3 1176 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|1,0,0]=3 1177 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|1,0,0]=3 1178 B5R0.4 CCC(C)(Cl)Cl D155312 [1,1,0,0,0,0|2,0,0]=4 1179 B5R0.4 CCS(=O)(=O)C E156277 [1,1,0,0,0,0|2,0,0]=4 1180 B5R0.4 CC[N+](C)(C)C E156357 [1,1,0,0,0,0|0,0,1]=3 1181 B5R0.4 CC[Si](C)(C)Cl D155943 [1,1,0,0,0,0|1,0,0]=3 1182 B5R0.4 CO[Si](C)(C)C M158463 [1,1,0,0,0,0|2,0,0]=4 1183 B5R0.4 CO[Si](C)(C)C M489683 [1,1,0,0,0,0|2,0,0]=4 1184 B5R0.4 C[Si](C)(C)CBr B152736 [1,1,0,0,0,0|2,0,0]=4 1185 B5R0.4 C[Si](C)(C)CCl C115785 [1,1,0,0,0,0|2,0,0]=4 1186 B5R0.4 C[Si](C)(C)CI I107729 [1,1,0,0,0,0|2,0,0]=4 1187 B5R0.4 C[Si](C)(C)CO T161625 [1,1,0,0,0,0|1,0,0]=3 1188 B5R0.4 C[Si](C)(CCl)Cl C131795 [1,1,0,0,0,0|2,0,0]=4 1189 B5R0.5 B(C(C)C)(O)O I120299 [1,1,0,0,0,0|2,0,0]=4 1190 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|1,0,1]=4 1191 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|0,0,1]=3 1192 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|0,0,1]=3 1193 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|0,0,1]=3 1194 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|0,0,1]=3 1195 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|0,0,1]=3 1196 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|0,0,1]=3 1197 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|0,0,1]=3 1198 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|0,0,1]=3 1199 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|0,0,1]=3 1200 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|2,0,0]=4 1201 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|2,0,0]=4 1202 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|2,0,0]=4 1203 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|2,0,0]=4 1204 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|2,0,0]=4 1205 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|2,0,0]=4 1206 B5R0.5 CC(C(C)Cl)Cl D155309 [1,1,0,0,0,0|2,0,0]=4 1207 B5R0.5 CC(C(C)O)O B103428 [1,1,0,0,0,0|2,0,0]=4 1208 B5R0.5 CC(C(C)O)O B424414 [1,1,0,0,0,0|2,0,0]=4 1209 B5R0.5 CC(C(C)O)O R135716 [1,1,0,0,0,0|2,0,0]=4 1210 B5R0.5 CC(C(C)O)O R422817 [1,1,0,0,0,0|2,0,0]=4 1211 B5R0.5 CC(C(C)O)O R470710 [1,1,0,0,0,0|2,0,0]=4 1212 B5R0.5 CC(C(C)O)O S160997 [1,1,0,0,0,0|2,0,0]=4 1213 B5R0.5 CC(C(C)S)O M102962 [1,1,0,0,0,0|2,0,0]=4 1214 B5R0.5 CC(C(C)S)O M158761 [1,1,0,0,0,0|2,0,0]=4 1215 B5R0.5 CC(C(C)S)S B102921 [1,1,0,0,0,0|2,0,0]=4 1216 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|1,0,1]=4 1217 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|1,0,1]=4 1218 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|1,0,1]=4 1219 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|1,0,1]=4 1220 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|1,0,1]=4 1221 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|1,0,1]=4 1222 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|1,0,1]=4 1223 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|1,0,1]=4 1224 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|1,0,0]=3 1225 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|1,0,0]=3 1226 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|1,0,0]=3 1227 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|1,0,0]=3 1228 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|1,0,0]=3 1229 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|1,0,0]=3 1230 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|1,0,0]=3 1231 B5R0.5 CC(C)N(C)C N159099 [1,1,0,0,0,0|0,0,0]=2 1232 B5R0.5 CC(C)[Si](C)C D356950 [1,1,0,0,0,0|1,0,0]=3 1233 B5R0.5 CN(C)C(=N)N D154660 [1,1,0,0,0,0|1,0,1]=4 1234 B5R0.5 CN(C)C(=O)Cl D106525 [1,1,0,0,0,0|0,0,2]=4 1235 B5R0.5 CN(C)C(=O)N D155381 [1,1,0,0,0,0|0,0,2]=4 1236 B5R0.5 CN(C)C(=S)Cl N135547 [1,1,0,0,0,0|0,1,1]=4 1237 B5R0.5 CN(C)C(=S)S D154695 [1,1,0,0,0,0|0,1,1]=4 1238 B5R0.5 CN(C)C(=S)[S-] C154089 [1,1,0,0,0,0|0,1,1]=4 1239 B5R0.5 CN(C)C(=S)[S-] F114609 [1,1,0,0,0,0|0,1,1]=4 1240 B5R0.5 CN(C)C(=S)[S-] F137780 [1,1,0,0,0,0|0,1,1]=4 1241 B5R0.5 CN(C)C(=S)[S-] S106280 [1,1,0,0,0,0|0,1,1]=4 1242 B5R0.5 CN(C)C(=S)[S-] Z162995 [1,1,0,0,0,0|0,1,1]=4 1243 B5R0.2 C#CCCCO P106295 [1,1,0,0,0,0|1,0,1]=4 1244 B5R0.2 C(C#CCCl)O C166985 [1,1,0,0,0,0|1,0,1]=4 1245 B5R0.2 C(C#CCO)O B103672 [1,1,0,0,0,0|1,0,1]=4 1246 B5R0.2 C(C#CCO)O B103673 [1,1,0,0,0,0|1,0,1]=4 1247 B5R0.2 C(C#CCO)O B103675 [1,1,0,0,0,0|1,0,1]=4 1248 B5R0.2 C(C=CCO)O B107560 [1,1,0,0,0,0|1,0,1]=4 1249 B5R0.2 C(C=CCO)O B111227 [1,1,0,0,0,0|1,0,1]=4 1250 B5R0.2 C(C=CCO)O T162684 [1,1,0,0,0,0|1,0,1]=4 1251 B5R0.2 C(CCBr)CBr D105749 [1,1,0,0,0,0|2,0,0]=4 1252 B5R0.2 C(CCBr)CCl B109690 [1,1,0,0,0,0|2,0,0]=4 1253 B5R0.2 C(CCBr)CF B122542 [1,1,0,0,0,0|2,0,0]=4 1254 B5R0.2 C(CCBr)CN B163034 [1,1,0,0,0,0|2,0,0]=4 1255 B5R0.2 C(CCBr)CO B136242 [1,1,0,0,0,0|1,0,0]=3 1256 B5R0.2 C(CCCl)CCl D103409 [1,1,0,0,0,0|2,0,0]=4 1257 B5R0.2 C(CCCl)CO C118833 [1,1,0,0,0,0|1,0,0]=3 1258 B5R0.2 C(CCI)CCl C153542 [1,1,0,0,0,0|2,0,0]=4 1259 B5R0.2 C(CCI)CI D155304 [1,1,0,0,0,0|2,0,0]=4 1260 B5R0.2 C(CCN)CN B292804 [1,1,0,0,0,0|2,0,0]=4 1261 B5R0.2 C(CCN)CN B304967 [1,1,0,0,0,0|2,0,0]=4 1262 B5R0.2 C(CCN)CN B492953 [1,1,0,0,0,0|2,0,0]=4 1263 B5R0.2 C(CCN)CN D106194 [1,1,0,0,0,0|2,0,0]=4 1264 B5R0.2 C(CCN)CN D423441 [1,1,0,0,0,0|2,0,0]=4 1265 B5R0.2 C(CCN)CN D472054 [1,1,0,0,0,0|2,0,0]=4 1266 B5R0.2 C(CCO)CN A109739 [1,1,0,0,0,0|1,0,0]=3 1267 B5R0.2 C(CCO)CO B110391 [1,1,0,0,0,0|1,0,0]=3 1268 B5R0.2 C(CCO)CO B110394 [1,1,0,0,0,0|1,0,0]=3 1269 B5R0.2 C(CCO)CO B110395 [1,1,0,0,0,0|1,0,0]=3 1270 B5R0.2 C(CCS)CO M338696 [1,1,0,0,0,0|1,0,0]=3 1271 B5R0.2 C(CCS)CS B152757 [1,1,0,0,0,0|1,1,0]=4 1272 B5R0.2 C(CCS)CS B419814 [1,1,0,0,0,0|1,1,0]=4 1273 B5R0.2 C(CCl)OCCl C140412 [1,1,0,0,0,0|2,0,0]=4 1274 B5R0.2 C(CO)N=[N+]=[N-] A302966 [1,1,0,0,0,0|1,0,1]=4 1275 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|1,0,1]=4 1276 B5R0.2 C=COCCO E135293 [1,1,0,0,0,0|1,0,1]=4 1277 B5R0.2 CC#CCCO P160656 [1,1,0,0,0,0|1,0,0]=3 1278 B5R0.2 CCC#CCO P160655 [1,1,0,0,0,0|1,0,1]=4 1279 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|1,0,1]=4 1280 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|1,0,1]=4 1281 B5R0.2 CCCC#CC H157356 [1,1,0,0,0,0|2,0,0]=4 1282 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|2,0,0]=4 1283 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|2,0,0]=4 1284 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|2,0,0]=4 1285 B5R0.2 CCCC=NO B152406 [1,1,0,0,0,0|1,0,1]=4 1286 B5R0.2 CCCCC#C H106703 [1,1,0,0,0,0|2,0,0]=4 1287 B5R0.2 CCCCC#N B100431 [1,1,0,0,0,0|2,0,0]=4 1288 B5R0.2 CCCCC#N B100432 [1,1,0,0,0,0|2,0,0]=4 1289 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|2,0,0]=4 1290 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|2,0,0]=4 1291 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|2,0,0]=4 1292 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|2,0,0]=4 1293 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|1,0,1]=4 1294 B5R0.2 CCCCCBr B104782 [1,1,0,0,0,0|2,0,0]=4 1295 B5R0.2 CCCCCBr B305762 [1,1,0,0,0,0|2,0,0]=4 1296 B5R0.2 CCCCCC H100107 [1,1,0,0,0,0|2,0,0]=4 1297 B5R0.2 CCCCCC H109653 [1,1,0,0,0,0|2,0,0]=4 1298 B5R0.2 CCCCCC H109654 [1,1,0,0,0,0|2,0,0]=4 1299 B5R0.2 CCCCCC H109656 [1,1,0,0,0,0|2,0,0]=4 1300 B5R0.2 CCCCCC H109659 [1,1,0,0,0,0|2,0,0]=4 1301 B5R0.2 CCCCCC H119662 [1,1,0,0,0,0|2,0,0]=4 1302 B5R0.2 CCCCCC H121283 [1,1,0,0,0,0|2,0,0]=4 1303 B5R0.2 CCCCCC H140380 [1,1,0,0,0,0|2,0,0]=4 1304 B5R0.2 CCCCCC H298923 [1,1,0,0,0,0|2,0,0]=4 1305 B5R0.2 CCCCCC N431441 [1,1,0,0,0,0|2,0,0]=4 1306 B5R0.2 CCCCCCl C109473 [1,1,0,0,0,0|2,0,0]=4 1307 B5R0.2 CCCCCCl C109474 [1,1,0,0,0,0|2,0,0]=4 1308 B5R0.2 CCCCCF F171115 [1,1,0,0,0,0|2,0,0]=4 1309 B5R0.2 CCCCCI I104798 [1,1,0,0,0,0|2,0,0]=4 1310 B5R0.2 CCCCCN A105343 [1,1,0,0,0,0|2,0,0]=4 1311 B5R0.2 CCCCCN P292685 [1,1,0,0,0,0|2,0,0]=4 1312 B5R0.2 CCCCCN P292697 [1,1,0,0,0,0|2,0,0]=4 1313 B5R0.2 CCCCCN P292701 [1,1,0,0,0,0|2,0,0]=4 1314 B5R0.2 CCCCCN P494144 [1,1,0,0,0,0|2,0,0]=4 1315 B5R0.2 CCCCCO N350217 [1,1,0,0,0,0|1,0,0]=3 1316 B5R0.2 CCCCCO P108125 [1,1,0,0,0,0|1,0,0]=3 1317 B5R0.2 CCCCCO P108126 [1,1,0,0,0,0|1,0,0]=3 1318 B5R0.2 CCCCCO P108127 [1,1,0,0,0,0|1,0,0]=3 1319 B5R0.2 CCCCCO P108128 [1,1,0,0,0,0|1,0,0]=3 1320 B5R0.2 CCCCCO P108129 [1,1,0,0,0,0|1,0,0]=3 1321 B5R0.2 CCCCCO P108130 [1,1,0,0,0,0|1,0,0]=3 1322 B5R0.2 CCCCCS A100028 [1,1,0,0,0,0|1,1,0]=4 1323 B5R0.2 CCCCOC B152821 [1,1,0,0,0,0|1,0,0]=3 1324 B5R0.2 CCCCON O184596 [1,1,0,0,0,0|1,0,0]=3 1325 B5R0.2 CCCCSC B152508 [1,1,0,0,0,0|1,1,0]=4 1326 B5R0.2 CCCC[Sn]Cl B302420 [1,1,0,0,0,0|2,0,0]=4 1327 B5R0.2 CCCNCC N159096 [1,1,0,0,0,0|1,0,0]=3 1328 B5R0.2 CCCOCC E156162 [1,1,0,0,0,0|2,0,0]=4 1329 B5R0.2 CCCSCC E134963 [1,1,0,0,0,0|2,0,0]=4 1330 B5R0.2 CCCSSC M103114 [1,1,0,0,0,0|2,0,0]=4 1331 B5R0.2 CCNCCN N138023 [1,1,0,0,0,0|1,0,0]=3 1332 B5R0.2 CCNCCO E156112 [1,1,0,0,0,0|0,0,0]=2 1333 B5R0.2 CCNCCO E301665 [1,1,0,0,0,0|0,0,0]=2 1334 B5R0.2 CCNNCC D487275 [1,1,0,0,0,0|2,0,0]=4 1335 B5R0.2 CCOCCBr B152837 [1,1,0,0,0,0|2,0,0]=4 1336 B5R0.2 CCOCCCl C153264 [1,1,0,0,0,0|2,0,0]=4 1337 B5R0.2 CCOCCN E156296 [1,1,0,0,0,0|2,0,0]=4 1338 B5R0.2 CCOCCO E110821 [1,1,0,0,0,0|1,0,0]=3 1339 B5R0.2 CCOCCO E110822 [1,1,0,0,0,0|1,0,0]=3 1340 B5R0.2 CCOCCO E118463 [1,1,0,0,0,0|1,0,0]=3 1341 B5R0.2 CCSCCCl C102885 [1,1,0,0,0,0|2,0,0]=4 1342 B5R0.2 CCSCCN E170901 [1,1,0,0,0,0|2,0,0]=4 1343 B5R0.2 CCSCCN E300178 [1,1,0,0,0,0|2,0,0]=4 1344 B5R0.2 CCSCCO E156428 [1,1,0,0,0,0|1,0,0]=3 1345 B5R0.2 CNCCC#N M104316 [1,1,0,0,0,0|1,0,0]=3 1346 B5R0.2 CNCCCN N104493 [1,1,0,0,0,0|1,0,0]=3 1347 B5R0.2 CNCCCO M133702 [1,1,0,0,0,0|0,0,0]=2 1348 B5R0.2 CNCCNC D106275 [1,1,0,0,0,0|1,0,0]=3 1349 B5R0.2 CNCCOC N159090 [1,1,0,0,0,0|0,0,0]=2 1350 B5R0.2 COCCC#N M158577 [1,1,0,0,0,0|2,0,0]=4 1351 B5R0.2 COCCCBr B136284 [1,1,0,0,0,0|2,0,0]=4 1352 B5R0.2 COCCCCl C108061 [1,1,0,0,0,0|2,0,0]=4 1353 B5R0.2 COCCCN M134485 [1,1,0,0,0,0|2,0,0]=4 1354 B5R0.2 COCCCN M587821 [1,1,0,0,0,0|2,0,0]=4 1355 B5R0.2 COCCCO M107732 [1,1,0,0,0,0|1,0,0]=3 1356 B5R0.2 COCCOC D299631 [1,1,0,0,0,0|1,0,0]=3 1357 B5R0.2 COCCOC E104387 [1,1,0,0,0,0|1,0,0]=3 1358 B5R0.2 COCCOC E104388 [1,1,0,0,0,0|1,0,0]=3 1359 B5R0.2 COCCOC E104391 [1,1,0,0,0,0|1,0,0]=3 1360 B5R0.2 COCCOC E119676 [1,1,0,0,0,0|1,0,0]=3 1361 B5R0.2 COCCOC I282413 [1,1,0,0,0,0|1,0,0]=3 1362 B5R0.2 COCCOC P107530 [1,1,0,0,0,0|1,0,0]=3 1363 B5R0.2 COCCOC P432396 [1,1,0,0,0,0|1,0,0]=3 1364 B5R0.2 COCCOC P432397 [1,1,0,0,0,0|1,0,0]=3 1365 B5R0.2 COCCOC P432398 [1,1,0,0,0,0|1,0,0]=3 1366 B5R0.2 CSCCC=O M109548 [1,1,0,0,0,0|1,0,1]=4 1367 B5R0.2 CSCCCN M158420 [1,1,0,0,0,0|2,0,0]=4 1368 B5R0.2 CSCCCO M102967 [1,1,0,0,0,0|1,0,0]=3 1369 B5R0.2 OCCCCO P487355 [1,1,0,0,0,0|1,0,0]=3 1370 B7R0.2 CC(C)CC(=NO)C M302141 [0,2,0,0,0,0|1,0,1]=4 1371 B7R0.2 CC(C)CC(=O)OC M157988 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.2 CC(C)CC(C#C)O M157950 [0,2,0,0,0,0|1,0,0]=3 1373 B7R0.2 CC(C)CC(CO)N L117136 [0,2,0,0,0,0|1,0,0]=3 1374 B7R0.2 CC(C)CC(CO)N S133878 [0,2,0,0,0,0|1,0,0]=3 1375 B7R0.2 CC(CC(=O)OC)O H124084 [0,2,0,0,0,0|2,0,0]=4 1376 B7R0.2 CC(CC(=O)OC)O H124101 [0,2,0,0,0,0|2,0,0]=4 1377 B7R0.2 CC(CN(C)C)CCl D134652 [0,2,0,0,0,0|1,0,0]=3 1378 B7R0.2 CCC(=O)CC(C)C E156458 [0,2,0,0,0,0|2,0,0]=4 1379 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.2 CCC(C)CC(C)C D155187 [0,2,0,0,0,0|2,0,0]=4 1381 B7R0.2 CCC(C)CC(C)N D135535 [0,2,0,0,0,0|2,0,0]=4 1382 B7R0.2 CN(C)CC(=O)OC N304465 [0,2,0,0,0,0|0,0,1]=3 1383 B7R0.2 CN(C)CC(CO)O D135042 [0,2,0,0,0,0|0,0,0]=2 1384 B7R0.3 C(CC(CO)O)CO P160114 [0,2,0,0,0,0|2,0,0]=4 1385 B7R0.3 CC(CCCN)CN M158599 [0,2,0,0,0,0|2,0,0]=4 1386 B7R0.3 CCC(=O)NCCO N158966 [0,2,0,0,0,0|2,0,0]=4 1387 B7R0.3 CCCCC(C)CC M113650 [0,2,0,0,0,0|2,0,0]=4 1388 B7R0.3 CCCNC(C)CC N158968 [0,2,0,0,0,0|2,0,0]=4 1389 B7R0.3 COCCC(=O)OC M134953 [0,2,0,0,0,0|2,0,0]=4 1390 B7R0.5 CC(=O)N(C)CCO N167555 [0,2,0,0,0,0|0,0,0]=2 1391 B7R0.5 CC(C)C(CCO)N A348373 [0,2,0,0,0,0|1,0,0]=3 1392 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|2,0,0]=4 1393 B7R0.5 CCCC(C)C(C)C D155209 [0,2,0,0,0,0|2,0,0]=4 1394 B7R0.5 CN(C)C(=O)CC#N C135281 [0,2,0,0,0,0|1,0,1]=4 1395 B7R0.5 CN(C)C(=O)COC M589066 [0,2,0,0,0,0|0,0,1]=3 1396 B7R0.7 CC(CCO)CCO M157872 [0,2,0,0,0,0|1,0,0]=3 1397 B7R0.7 CCCC(C)CCC M113651 [0,2,0,0,0,0|2,0,0]=4 1398 B7R0.7 CCCC(CCO)S M102905 [0,2,0,0,0,0|2,0,0]=4 1399 B7R0.7 CCCN(C)CCC I169711 [0,2,0,0,0,0|1,0,0]=3 1400 B7R0.7 CCOC(=O)CCO E185621 [0,2,0,0,0,0|2,0,0]=4 1401 B7R0.7 CN(CC=C)CC=C D123282 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.7 CN(CCCl)CCCl M113888 [0,2,0,0,0,0|1,0,0]=3 1403 B7R0.7 CN(CCCl)CCCl M424747 [0,2,0,0,0,0|1,0,0]=3 1404 B7R0.7 CN(CCN)CCN D155080 [0,2,0,0,0,0|1,0,0]=3 1405 B7R0.7 CN(CCO)CCO M105602 [0,2,0,0,0,0|0,0,0]=2 1406 B7R0.7 CN(CCO)CCO M105603 [0,2,0,0,0,0|0,0,0]=2 1407 B7R0.10 C(C(C(CO)Br)Br)O W135330 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.10 C(C(C(CO)O)O)O E105712 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.10 C(C(C(CO)O)O)O M421753 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.10 C(C(C(CO)O)O)O S136137 [0,2,0,0,0,0|2,0,0]=4 1411 B7R0.10 C(C(C(CO)O)O)O S161038 [0,2,0,0,0,0|2,0,0]=4 1412 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|2,0,0]=4 1413 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|2,0,0]=4 1414 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|2,0,0]=4 1415 B7R0.10 CCC(=O)N(C)OC N404710 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.10 CCC(C(C)CO)S M404750 [0,2,0,0,0,0|2,0,0]=4 1417 B7R0.10 CCC(C)C(CO)N I117134 [0,2,0,0,0,0|1,0,0]=3 1418 B7R0.10 CN(C(=O)CCl)OC C124448 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.10 COC(=O)C(CO)N S101064 [0,2,0,0,0,0|2,0,0]=4 1420 B7R0.10 COC(=O)C(CO)N S109008 [0,2,0,0,0,0|2,0,0]=4 1421 B7R0.10 COC(=O)C(CO)N S117181 [0,2,0,0,0,0|2,0,0]=4 1422 B7R0.10 COC(=O)C(CO)O R587787 [0,2,0,0,0,0|2,0,0]=4 1423 B7R0.10 COC(=O)C(CO)O S178884 [0,2,0,0,0,0|2,0,0]=4 1424 B7R0.11 CC(C)(CCO)OC M158753 [0,2,0,0,0,0|1,0,0]=3 1425 B7R0.11 CCCC(C)(C)C#N D154620 [0,2,0,0,0,0|2,0,0]=4 1426 B7R0.12 CCN(CC)CC#C D121967 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.12 CCN(CC)CC#N D154666 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.12 CCN(CC)CCBr D154672 [0,2,0,0,0,0|1,0,0]=3 1429 B7R0.12 CCN(CC)CCN D105350 [0,2,0,0,0,0|1,0,0]=3 1430 B7R0.12 CCN(CC)CCN N404368 [0,2,0,0,0,0|1,0,0]=3 1431 B7R0.12 CCN(CC)CCO D105707 [0,2,0,0,0,0|0,0,0]=2 1432 B7R0.12 CCN(CC)CCO D131743 [0,2,0,0,0,0|0,0,0]=2 1433 B7R0.12 CCN(CCO)N=O N158964 [0,2,0,0,0,0|1,0,0]=3 1434 B7R0.12 COC(CCBr)OC B153148 [0,2,0,0,0,0|2,0,0]=4 1435 B7R0.9 B(CC(C)(C)C)(O)O N290783 [0,2,0,0,0,0|2,0,0]=4 1436 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,2,0,0,0,0|2,0,0]=4 1437 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,2,0,0,0,0|2,0,0]=4 1438 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,2,0,0,0,0|2,0,0]=4 1439 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,2,0,0,0,0|2,0,0]=4 1440 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.9 CC(C)(CN(C)C)N A483225 [0,2,0,0,0,0|1,0,0]=3 1443 B7R0.9 CC(C)CC(C)(C)C I103236 [0,2,0,0,0,0|2,0,0]=4 1444 B7R0.9 CC(C)CC(C)(C)C I103237 [0,2,0,0,0,0|2,0,0]=4 1445 B7R0.9 CC(C)CC(C)(C)C I103239 [0,2,0,0,0,0|2,0,0]=4 1446 B7R0.9 CC(C)CC(C)(C)C I103242 [0,2,0,0,0,0|2,0,0]=4 1447 B7R0.9 CC(C)CC(C)(C)C I103243 [0,2,0,0,0,0|2,0,0]=4 1448 B7R0.9 CC(C)CC(C)(C)C I113065 [0,2,0,0,0,0|2,0,0]=4 1449 B7R0.9 CC(C)CC(C)(C)C I302016 [0,2,0,0,0,0|2,0,0]=4 1450 B7R0.9 CC(C)CC(C)(C)C I432868 [0,2,0,0,0,0|2,0,0]=4 1451 B7R0.9 CC(C)CC(C)(C)C T119681 [0,2,0,0,0,0|2,0,0]=4 1452 B7R0.9 CC(C)CC(C)(C)C T128777 [0,2,0,0,0,0|2,0,0]=4 1453 B7R0.9 CC(C)C[Si](C)(C)Cl C337179 [0,2,0,0,0,0|2,0,0]=4 1454 B7R0.9 CC(CC(C)(C)C)O D346243 [0,2,0,0,0,0|1,0,0]=3 1455 B7R0.9 CC(CC(C)(C)O)O M108565 [0,2,0,0,0,0|1,0,0]=3 1456 B7R0.9 CC(CC(C)(C)O)O M420527 [0,2,0,0,0,0|1,0,0]=3 1457 B7R0.9 CC(C[N+](C)(C)C)O B152036 [0,2,0,0,0,0|0,0,1]=3 1458 B7R0.9 CC(C[N+](C)(C)C)O B152039 [0,2,0,0,0,0|0,0,1]=3 1459 B7R0.9 CC(C[N+](C)(C)C)O B351319 [0,2,0,0,0,0|0,0,1]=3 1460 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,2,0,0,0,0|0,0,2]=4 1461 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,2,0,0,0,0|0,0,2]=4 1462 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,2,0,0,0,0|1,0,1]=4 1463 B7R0.16 CC(C)C(=O)N(C)C N159316 [0,2,0,0,0,0|1,0,1]=4 1464 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,2,0,0,0,0|1,0,1]=4 1465 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,2,0,0,0,0|1,0,1]=4 1466 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,2,0,0,0,0|1,0,1]=4 1467 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,2,0,0,0,0|1,0,1]=4 1468 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,2,0,0,0,0|1,0,1]=4 1469 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,2,0,0,0,0|1,0,1]=4 1470 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,2,0,0,0,0|1,0,1]=4 1471 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,2,0,0,0,0|1,0,1]=4 1472 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,2,0,0,0,0|1,0,1]=4 1473 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,2,0,0,0,0|1,0,1]=4 1474 B7R0.16 CC(C)C(C(C)C)O D154153 [0,2,0,0,0,0|2,0,0]=4 1475 B7R0.16 CC(C)C(C)C(C)C T161705 [0,2,0,0,0,0|2,0,0]=4 1476 B7R0.13 CC(C)(CO)N(C)C D155702 [0,2,0,0,0,0|0,0,0]=2 1477 B7R0.14 CC(C)(C)C(CO)N I132198 [0,2,0,0,0,0|1,0,0]=3 1478 B7R0.14 CC(C)(C)C(CO)N S160987 [0,2,0,0,0,0|1,0,0]=3 1479 B7R0.15 CN(C)C(OC)OC D106288 [0,2,0,0,0,0|2,0,0]=4 1480 B7R0.15 CN(C)C(OC)OC D106289 [0,2,0,0,0,0|2,0,0]=4 1481 B7R0.4 CC(=O)OCCOC M106167 [0,2,0,0,0,0|2,0,0]=4 1482 B7R0.4 CC(C)CCOC=O I117534 [0,2,0,0,0,0|1,0,0]=3 1483 B7R0.4 CC(C)CCOC=O I137773 [0,2,0,0,0,0|1,0,0]=3 1484 B7R0.4 CC(C)CCON=O I106092 [0,2,0,0,0,0|1,0,0]=3 1485 B7R0.4 CC(C)CCON=O I106093 [0,2,0,0,0,0|1,0,0]=3 1486 B7R0.4 CC(C)COCCO E156429 [0,2,0,0,0,0|1,0,0]=3 1487 B7R0.4 CC(C)CSCCO I157607 [0,2,0,0,0,0|1,0,0]=3 1488 B7R0.4 CC(C)NCCCO I157484 [0,2,0,0,0,0|1,0,0]=3 1489 B7R0.4 CC(C)NCCOC N158963 [0,2,0,0,0,0|1,0,0]=3 1490 B7R0.4 CC(C)OCCC#N I165912 [0,2,0,0,0,0|2,0,0]=4 1491 B7R0.4 CC(C)OCCCN A133357 [0,2,0,0,0,0|2,0,0]=4 1492 B7R0.4 CC(CCCCO)O H474422 [0,2,0,0,0,0|2,0,0]=4 1493 B7R0.4 CCCCCC(C)C M113649 [0,2,0,0,0,0|2,0,0]=4 1494 B7R0.4 CCCCCC(C)C M406726 [0,2,0,0,0,0|2,0,0]=4 1495 B7R0.4 CCNCCN(C)C I166658 [0,2,0,0,0,0|1,0,0]=3 1496 B7R0.4 CCOCCC(=O)C E156453 [0,2,0,0,0,0|2,0,0]=4 1497 B7R0.4 CN(C)CCCC#N D154664 [0,2,0,0,0,0|1,0,0]=3 1498 B7R0.4 CN(C)CCCCN B301211 [0,2,0,0,0,0|1,0,0]=3 1499 B7R0.4 CNCCCN(C)C I170434 [0,2,0,0,0,0|1,0,0]=3 1500 B7R0.6 CC(=O)CCC(=O)O L104281 [0,2,0,0,0,0|2,0,0]=4 1501 B7R0.6 CC(=O)CCC(=O)O L278641 [0,2,0,0,0,0|2,0,0]=4 1502 B7R0.6 CC(=O)CCC(=O)O L298748 [0,2,0,0,0,0|2,0,0]=4 1503 B7R0.6 CC(=O)CCC(=O)O L421026 [0,2,0,0,0,0|2,0,0]=4 1504 B7R0.6 CC(C)CC=C(C)C D155272 [0,2,0,0,0,0|2,0,0]=4 1505 B7R0.6 CC(C)CCC(=C)C D155278 [0,2,0,0,0,0|2,0,0]=4 1506 B7R0.6 CC(C)CCC(=O)C M106666 [0,2,0,0,0,0|1,0,1]=4 1507 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,2,0,0,0,0|1,0,1]=4 1508 B7R0.6 CC(C)CCC(=O)O M117869 [0,2,0,0,0,0|1,0,0]=3 1509 B7R0.6 CC(C)CCC(C)C D155219 [0,2,0,0,0,0|2,0,0]=4 1510 B7R0.6 CC(C)CCC(C)N W299301 [0,2,0,0,0,0|2,0,0]=4 1511 B7R0.6 CC(C)CCC(C)O M157779 [0,2,0,0,0,0|1,0,0]=3 1512 B7R0.6 CC(C)OCC(C)O I404594 [0,2,0,0,0,0|1,0,0]=3 1513 B7R0.6 CC(CCC(C)O)O H157400 [0,2,0,0,0,0|2,0,0]=4 1514 B7R0.6 CC(CCC(C)O)O R160953 [0,2,0,0,0,0|2,0,0]=4 1515 B7R0.6 CC(CCC(C)O)O S133391 [0,2,0,0,0,0|2,0,0]=4 1516 B7R0.6 CN(C)CCC(=O)O D132248 [0,2,0,0,0,0|0,0,0]=2 1517 B7R0.6 CN(C)CCN(C)C D124689 [0,2,0,0,0,0|1,0,0]=3 1518 B7R0.6 CN(C)CCN(C)C D154832 [0,2,0,0,0,0|1,0,0]=3 1519 B7R0.6 CN(C)CCN(C)C D155707 [0,2,0,0,0,0|1,0,0]=3 1520 B7R0.6 CN(C)CCN(C)C N274275 [0,2,0,0,0,0|1,0,0]=3 1521 B7R0.6 CN(C)CCN(C)C T105496 [0,2,0,0,0,0|1,0,0]=3 1522 B7R0.6 CN(C)CCN(C)C T105497 [0,2,0,0,0,0|1,0,0]=3 1523 B7R0.6 CN(C)CCN(C)C T105498 [0,2,0,0,0,0|1,0,0]=3 1524 B7R0.6 CN(C)CCN(C)C T140800 [0,2,0,0,0,0|1,0,0]=3 1525 B7R0.6 CP(C)CCP(C)C B115375 [0,2,0,0,0,0|1,1,0]=4 1526 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,2,0,0,0,0|1,0,0]=3 1527 B7R0.8 CC(C)(C)OCCO E107660 [0,2,0,0,0,0|1,0,0]=3 1528 B7R0.8 CC(C)(C)SCCN T405389 [0,2,0,0,0,0|2,0,0]=4 1529 B7R0.8 CCCCC(C)(C)C D106282 [0,2,0,0,0,0|2,0,0]=4 1530 B7R0.8 CCCCC(C)(C)O M157782 [0,2,0,0,0,0|2,0,0]=4 1531 B7R0.8 CCCC[N+](C)(C)C B303274 [0,2,0,0,0,0|1,0,1]=4 1532 B7R0.8 CCCC[Si](C)(C)Cl B152689 [0,2,0,0,0,0|2,0,0]=4 1533 B7R0.8 CCCC[Si](C)(C)Cl B572936 [0,2,0,0,0,0|2,0,0]=4 1534 B7R0.8 CCCO[Si](C)(C)C T357378 [0,2,0,0,0,0|2,0,0]=4 1535 B7R0.8 C[N+](C)(C)CCCBr B110907 [0,2,0,0,0,0|1,0,1]=4 1536 B7R0.8 C[Si](C)(C)C#CCO T113987 [0,2,0,0,0,0|1,0,1]=4 1537 B7R0.8 C[Si](C)(C)C=CCO T113990 [0,2,0,0,0,0|1,0,1]=4 1538 B7R0.8 C[Si](C)(C)CCC=C B405460 [0,2,0,0,0,0|2,0,0]=4 1539 B7R0.8 C[Si](C)(C)CCCCl C192212 [0,2,0,0,0,0|2,0,0]=4 1540 B7R0.8 C[Si](C)(C)CCCO T351713 [0,2,0,0,0,0|1,0,0]=3 1541 B7R0.8 C[Si](C)(C)CCON O159958 [0,2,0,0,0,0|1,0,0]=3 1542 B7R0.8 C[Si](C)(CCCCl)Cl C165694 [0,2,0,0,0,0|2,0,0]=4 1543 B5R1.2 C1C(=O)CO1 O129097 [1,0,0,1,0,0|2,0,0]=4 1544 B5R1.2 C1C(CO1)Br B170097 [1,0,0,1,0,0|2,0,0]=4 1545 B5R1.2 C1C(CO1)I I134383 [1,0,0,1,0,0|2,0,0]=4 1546 B5R1.2 C1C(CO1)N O135359 [1,0,0,1,0,0|2,0,0]=4 1547 B5R1.2 C1C(CO1)N O589249 [1,0,0,1,0,0|2,0,0]=4 1548 B5R1.2 C1C(CO1)O H123582 [1,0,0,1,0,0|2,0,0]=4 1549 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|2,0,0]=4 1550 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|2,0,0]=4 1551 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|2,0,0]=4 1552 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|2,0,0]=4 1553 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|2,0,0]=4 1554 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|2,0,0]=4 1555 B5R1.2 C=C1CCC1 M332850 [1,0,0,1,0,0|1,0,1]=4 1556 B5R1.3 C1C(O1)CO G106989 [1,0,0,1,0,0|2,0,0]=4 1557 B5R1.3 C1C(O1)CO R119621 [1,0,0,1,0,0|2,0,0]=4 1558 B5R1.3 C1C(O1)CO S119620 [1,0,0,1,0,0|2,0,0]=4 1559 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|2,0,0]=4 1560 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|2,0,0]=4 1561 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|2,0,0]=4 1562 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|2,0,0]=4 1563 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|2,0,0]=4 1564 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|1,0,0]=3 1565 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|1,0,0]=3 1566 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|2,0,0]=4 1567 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|2,0,0]=4 1568 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|2,0,0]=4 1569 B5R1.3 CNC1CC1 N177134 [1,0,0,1,0,0|2,0,0]=4 1570 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|2,0,0]=4 1571 B5R1.5 CC1(CC1)N M178021 [1,0,0,1,0,0|2,0,0]=4 1572 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|1,0,0]=3 1573 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|1,1,0]=4 1574 B5R1.1 C1C=CCN1 D139123 [1,0,0,1,0,0|1,0,1]=4 1575 B5R1.1 C1C=CCN1 p103550 [1,0,0,1,0,0|1,0,1]=4 1576 B5R1.1 C1C=CCO1 D101471 [1,0,0,1,0,0|1,0,1]=4 1577 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|2,0,0]=4 1578 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|2,0,0]=4 1579 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|2,0,0]=4 1580 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|2,0,0]=4 1581 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|2,0,0]=4 1582 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|2,0,0]=4 1583 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|1,0,0]=3 1584 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|1,0,0]=3 1585 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|1,0,0]=3 1586 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|1,0,0]=3 1587 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|1,0,0]=3 1588 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|1,0,0]=3 1589 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|1,0,0]=3 1590 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|1,0,0]=3 1591 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|1,0,0]=3 1592 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|1,0,0]=3 1593 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|1,0,0]=3 1594 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|1,0,0]=3 1595 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|1,0,0]=3 1596 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|1,0,0]=3 1597 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|1,0,0]=3 1598 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|1,0,0]=3 1599 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|1,0,0]=3 1600 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|1,0,0]=3 1601 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|1,0,0]=3 1602 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|1,0,0]=3 1603 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|1,1,0]=4 1604 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|2,0,0]=4 1605 B5R1.1 C1CNOC1 I157665 [1,0,0,1,0,0|2,0,0]=4 1606 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|1,0,1]=4 1607 B5R1.1 C1COCO1 D105894 [1,0,0,1,0,0|1,0,0]=3 1608 B5R1.1 C1COCO1 D105895 [1,0,0,1,0,0|1,0,0]=3 1609 B5R1.1 C1COCO1 D119723 [1,0,0,1,0,0|1,0,0]=3 1610 B5R1.1 C1CSCN1 T101324 [1,0,0,1,0,0|0,1,0]=3 1611 B7R1.1 C1CCC(C1)CBr B184164 [0,1,0,1,0,0|2,0,0]=4 1612 B7R1.1 C1CCC(C1)CI I169233 [0,1,0,1,0,0|2,0,0]=4 1613 B7R1.1 C1CCC(C1)CN C176870 [0,1,0,1,0,0|2,0,0]=4 1614 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,1,0,0|2,0,0]=4 1615 B7R1.1 C1CCN(C1)C#N P160518 [0,1,0,1,0,0|1,0,1]=4 1616 B7R1.1 C1CCN(C1)C=O F469140 [0,1,0,1,0,0|1,0,1]=4 1617 B7R1.1 C1CCN(C1)N=O N111145 [0,1,0,1,0,0|2,0,0]=4 1618 B7R1.1 C1CCN(C1)N=O N114388 [0,1,0,1,0,0|2,0,0]=4 1619 B7R1.1 C1COCC1C=O T304657 [0,1,0,1,0,0|1,0,1]=4 1620 B7R1.1 C1COCC1CBr B174868 [0,1,0,1,0,0|1,0,0]=3 1621 B7R1.1 C1COCC1CN A167762 [0,1,0,1,0,0|1,0,0]=3 1622 B7R1.1 C1COCC1CN A168112 [0,1,0,1,0,0|1,0,0]=3 1623 B7R1.1 C1COCC1CO T136105 [0,1,0,1,0,0|1,0,0]=3 1624 B7R1.1 CCC1CCCC1 E156243 [0,1,0,1,0,0|2,0,0]=4 1625 B7R1.1 CCN1CCCC1 E156259 [0,1,0,1,0,0|1,0,0]=3 1626 B7R1.1 CNC1CCNC1 M124586 [0,1,0,1,0,0|2,0,0]=4 1627 B7R1.1 COC1CCCC1 C102202 [0,1,0,1,0,0|2,0,0]=4 1628 B7R1.1 COC1CCCC1 C119688 [0,1,0,1,0,0|2,0,0]=4 1629 B7R1.1 COC1CCCC1 C298967 [0,1,0,1,0,0|2,0,0]=4 1630 B7R1.1 COC1CCNC1 R176558 [0,1,0,1,0,0|2,0,0]=4 1631 B7R1.1 COC1CCNC1 S177181 [0,1,0,1,0,0|2,0,0]=4 1632 B7R1.1 COC1CCNC1 S586566 [0,1,0,1,0,0|2,0,0]=4 1633 B7R1.2 C1C(CNC1=O)O H119311 [0,1,0,1,0,0|2,0,0]=4 1634 B7R1.2 C1C(CNC1=O)O H119312 [0,1,0,1,0,0|2,0,0]=4 1635 B7R1.2 C1C(CNC1=O)O H183207 [0,1,0,1,0,0|2,0,0]=4 1636 B7R1.2 C1C(COC1=O)O H107941 [0,1,0,1,0,0|2,0,0]=4 1637 B7R1.2 C1CC(CC1N)O R173195 [0,1,0,1,0,0|2,0,0]=4 1638 B7R1.2 C1CC(CC1N)O S587381 [0,1,0,1,0,0|2,0,0]=4 1639 B7R1.2 C1CC(CC1N)O T172883 [0,1,0,1,0,0|2,0,0]=4 1640 B7R1.2 C1CC(CC1O)O C153245 [0,1,0,1,0,0|2,0,0]=4 1641 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|1,0,1]=4 1642 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,1,0,0|1,0,0]=3 1643 B7R1.2 CC1COC(O1)C D404099 [0,1,0,1,0,0|2,0,0]=4 1644 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,1,0,0|0,0,1]=3 1645 B7R1.2 CN1CCC(C1)N M173360 [0,1,0,1,0,0|1,0,0]=3 1646 B7R1.2 CN1CCC(C1)O M107932 [0,1,0,1,0,0|0,0,0]=2 1647 B7R1.2 CN1CCC(C1)O M119144 [0,1,0,1,0,0|0,0,0]=2 1648 B7R1.2 CN1CCC(C1)O M121670 [0,1,0,1,0,0|0,0,0]=2 1649 B7R1.3 C1C(COCO1)O G141045 [0,1,0,1,0,0|2,0,0]=4 1650 B7R1.3 C1CC(=O)COC1 O175840 [0,1,0,1,0,0|2,0,0]=4 1651 B7R1.3 C1CC(COC1)N S172896 [0,1,0,1,0,0|2,0,0]=4 1652 B7R1.3 C1CC(COC1)O O175461 [0,1,0,1,0,0|2,0,0]=4 1653 B7R1.3 C1CCN(CC1)N A103012 [0,1,0,1,0,0|2,0,0]=4 1654 B7R1.3 C1CCN(CC1)N A113934 [0,1,0,1,0,0|2,0,0]=4 1655 B7R1.3 C1COC(=O)CO1 D122246 [0,1,0,1,0,0|2,0,0]=4 1656 B7R1.3 C1COCC(=O)N1 M157861 [0,1,0,1,0,0|2,0,0]=4 1657 B7R1.3 C1COCCC1=O T107483 [0,1,0,1,0,0|2,0,0]=4 1658 B7R1.3 C1COCCC1Br B169075 [0,1,0,1,0,0|2,0,0]=4 1659 B7R1.3 C1COCCC1Cl C120070 [0,1,0,1,0,0|2,0,0]=4 1660 B7R1.3 C1COCCC1I I175912 [0,1,0,1,0,0|2,0,0]=4 1661 B7R1.3 C1COCCC1N A102316 [0,1,0,1,0,0|2,0,0]=4 1662 B7R1.3 C1COCCC1N O176150 [0,1,0,1,0,0|2,0,0]=4 1663 B7R1.3 C1COCCC1O T119338 [0,1,0,1,0,0|2,0,0]=4 1664 B7R1.3 C1COCCN1N A151029 [0,1,0,1,0,0|1,0,0]=3 1665 B7R1.3 CC1=CCCCC1 M158209 [0,1,0,1,0,0|2,0,0]=4 1666 B7R1.3 CC1=CCNCC1 M178460 [0,1,0,1,0,0|2,0,0]=4 1667 B7R1.3 CC1CCCCC1 M103329 [0,1,0,1,0,0|2,0,0]=4 1668 B7R1.3 CC1CCCCC1 M103330 [0,1,0,1,0,0|2,0,0]=4 1669 B7R1.3 CC1CCCCC1 M103331 [0,1,0,1,0,0|2,0,0]=4 1670 B7R1.3 CC1CCCCC1 M118385 [0,1,0,1,0,0|2,0,0]=4 1671 B7R1.3 CC1CCCCC1 M119670 [0,1,0,1,0,0|2,0,0]=4 1672 B7R1.3 CC1CCCCN1 I169537 [0,1,0,1,0,0|2,0,0]=4 1673 B7R1.3 CC1CCCCN1 M106737 [0,1,0,1,0,0|2,0,0]=4 1674 B7R1.3 CC1CCCNC1 M158771 [0,1,0,1,0,0|2,0,0]=4 1675 B7R1.3 CC1CCCNC1 R588230 [0,1,0,1,0,0|2,0,0]=4 1676 B7R1.3 CC1CCCNC1 S191141 [0,1,0,1,0,0|2,0,0]=4 1677 B7R1.3 CC1CCNCC1 M158650 [0,1,0,1,0,0|2,0,0]=4 1678 B7R1.3 CC1CCOCO1 M158047 [0,1,0,1,0,0|1,0,0]=3 1679 B7R1.3 CC1CNCCN1 M103218 [0,1,0,1,0,0|2,0,0]=4 1680 B7R1.3 CC1CNCCN1 M120020 [0,1,0,1,0,0|2,0,0]=4 1681 B7R1.3 CC1CNCCN1 R160832 [0,1,0,1,0,0|2,0,0]=4 1682 B7R1.3 CC1CNCCO1 M588524 [0,1,0,1,0,0|2,0,0]=4 1683 B7R1.3 CC1CNCCO1 R174894 [0,1,0,1,0,0|2,0,0]=4 1684 B7R1.3 CC1CNCCO1 S172145 [0,1,0,1,0,0|2,0,0]=4 1685 B7R1.3 CC1COCCN1 M193354 [0,1,0,1,0,0|1,0,0]=3 1686 B7R1.3 CC1COCCN1 R160948 [0,1,0,1,0,0|1,0,0]=3 1687 B7R1.3 CC1COCCN1 R177343 [0,1,0,1,0,0|1,0,0]=3 1688 B7R1.3 CC1COCCN1 S176218 [0,1,0,1,0,0|1,0,0]=3 1689 B7R1.3 CC1COCCN1 S189368 [0,1,0,1,0,0|1,0,0]=3 1690 B7R1.3 CN1CCCCC1 M106736 [0,1,0,1,0,0|1,0,0]=3 1691 B7R1.3 CN1CCNCC1 M108683 [0,1,0,1,0,0|1,0,0]=3 1692 B7R1.3 CN1CCNCC1 M108684 [0,1,0,1,0,0|1,0,0]=3 1693 B7R1.3 CN1CCNCC1 M136564 [0,1,0,1,0,0|1,0,0]=3 1694 B7R1.3 CN1CCOCC1 M104641 [0,1,0,1,0,0|0,0,0]=2 1695 B7R1.3 CN1CCOCC1 M104642 [0,1,0,1,0,0|0,0,0]=2 1696 B7R1.3 CN1CCOCC1 M104643 [0,1,0,1,0,0|0,0,0]=2 1697 B7R1.3 CN1CCOCC1 M104644 [0,1,0,1,0,0|0,0,0]=2 1698 B7R1.3 CN1CCOCC1 M588891 [0,1,0,1,0,0|0,0,0]=2 1699 B7R1.3 C[Si]1CCCCO1 P107083 [0,1,0,1,0,0|2,0,0]=4 1700 B7R1.4 C1C(C(CO1)O)N A587267 [0,1,0,1,0,0|2,0,0]=4 1701 B7R1.4 C1C(C(CO1)O)O A151297 [0,1,0,1,0,0|2,0,0]=4 1702 B7R1.4 C1COC(=O)N1N A114272 [0,1,0,1,0,0|1,0,1]=4 1703 B7R1.4 C1COC(C1Cl)Cl D155242 [0,1,0,1,0,0|2,0,0]=4 1704 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|2,0,0]=4 1705 B7R1.4 CC1C(CCO1)S M102916 [0,1,0,1,0,0|2,0,0]=4 1706 B7R1.4 CC1CCCC1O B300625 [0,1,0,1,0,0|2,0,0]=4 1707 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|1,0,1]=4 1708 B7R1.4 CN1CCCC1=O M100588 [0,1,0,1,0,0|1,0,1]=4 1709 B7R1.4 CN1CCCC1=O M100589 [0,1,0,1,0,0|1,0,1]=4 1710 B7R1.4 CN1CCCC1=O M100590 [0,1,0,1,0,0|1,0,1]=4 1711 B7R1.4 CN1CCCC1=O M103246 [0,1,0,1,0,0|1,0,1]=4 1712 B7R1.4 CN1CCCC1=O M103247 [0,1,0,1,0,0|1,0,1]=4 1713 B7R1.4 CN1CCCC1=O M103248 [0,1,0,1,0,0|1,0,1]=4 1714 B7R1.4 CN1CCCC1=O M103250 [0,1,0,1,0,0|1,0,1]=4 1715 B7R1.4 CN1CCCC1=O M119668 [0,1,0,1,0,0|1,0,1]=4 1716 B7R1.4 CN1CCCC1=O M434296 [0,1,0,1,0,0|1,0,1]=4 1717 B7R1.4 CN1CCCC1=S M140448 [0,1,0,1,0,0|1,0,1]=4 1718 B7R1.4 CN1CCNC1=O M304416 [0,1,0,1,0,0|1,0,1]=4 1719 B7R1.4 CN1CCOC1=O M132701 [0,1,0,1,0,0|0,0,1]=3 1720 B7R1.6 C1C(CN1)CCO A174496 [0,1,0,1,0,0|1,0,0]=3 1721 B7R1.6 C1C(CO1)CCO O175897 [0,1,0,1,0,0|1,0,0]=3 1722 B7R1.6 C1CN(C1)CCO A194559 [0,1,0,1,0,0|0,0,0]=2 1723 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|2,0,0]=4 1724 B7R1.10 COC1CC(C1)N T173972 [0,1,0,1,0,0|2,0,0]=4 1725 B7R1.21 CC1(N=N1)CCO A355203 [0,1,0,1,0,0|2,0,0]=4 1726 B7R1.22 COC(=O)C1CO1 G303748 [0,1,0,1,0,0|2,0,0]=4 1727 B7R1.22 COC(=O)C1CO1 M344543 [0,1,0,1,0,0|2,0,0]=4 1728 B7R1.22 COC(=O)C1CO1 S179901 [0,1,0,1,0,0|2,0,0]=4 1729 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|1,0,1]=4 1730 B7R1.16 C1C(CC1(F)F)O D177017 [0,1,0,1,0,0|2,0,0]=4 1731 B7R1.20 C1CC1CC(=O)O C134997 [0,1,0,1,0,0|1,0,1]=4 1732 B7R1.18 CN(C)C1CNC1 N172917 [0,1,0,1,0,0|1,0,0]=3 1733 B7R1.23 C1C(C1(F)F)CO D122937 [0,1,0,1,0,0|2,0,0]=4 1734 B7R1.14 CC1(CCCC1)N A468531 [0,1,0,1,0,0|2,0,0]=4 1735 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,1,0,0|2,0,0]=4 1736 B7R1.14 CC1(CCCN1)C D176967 [0,1,0,1,0,0|2,0,0]=4 1737 B7R1.14 CC1(CCNC1)C D177478 [0,1,0,1,0,0|2,0,0]=4 1738 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,1,0,0|2,0,0]=4 1739 B7R1.14 CC1(COCN1)C D136350 [0,1,0,1,0,0|2,0,0]=4 1740 B7R1.14 CC1(NCCS1)C D123034 [0,1,0,1,0,0|1,1,0]=4 1741 B7R1.14 C[Si]1(CCCC1)C D189579 [0,1,0,1,0,0|2,0,0]=4 1742 B7R2.13 C1C2C(O2)CO1 E103092 [0,0,0,2,0,0|2,0,0]=4 1743 B7R2.13 C1C2C(O2)CO1 E616368 [0,0,0,2,0,0|2,0,0]=4 1744 B7R2.13 C1C2C1CNC2 A177313 [0,0,0,2,0,0|2,0,0]=4 1745 B7R2.5 C1C2CC1(C2)N B168724 [0,0,0,2,0,0|2,0,0]=4