0 B6R0.1 C(CO)C(CO)O B105549 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C(CO)C(CO)O B118474 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C(CO)C(CO)O R472595 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C(CO)C(CO)O S102777 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CC(CC=O)SC M102934 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CC(CCO)OC M102190 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CC(COC)OC D155537 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCC(C)OCC S161060 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCC(CCN)N D155073 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCC(COC)N A151357 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCC(COC)O M158749 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 CCC=C(C)C=O M102187 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.1 CCCC(=O)CC H106710 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCCC(=O)NN B183968 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.1 CCCC(=O)OC M100038 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.1 CCCC(=O)OC M100039 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCCC(=O)OC M100040 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCCC(=O)SC M102997 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCCC(C#C)O H101580 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 CCCC(C)C=O M158691 [0,0,0,0,0,0|0,0,0]=0 20 B6R0.1 CCCC(C)CC M158521 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.1 CCCC(C)CO M113625 [0,0,0,0,0,0|0,0,2]=2 22 B6R0.1 CCCC(C=C)O H157268 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 CCCC(CC)Br B152444 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.1 CCCC(CC)Cl C153662 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.1 CCCC(CC)O H133955 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.1 CCCC(CO)N D333561 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.1 CCCC(CO)N I168777 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.1 CCCC(CO)O P108068 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.1 CCNC(=O)C=C N136947 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.1 CCOC(=NO)C E124202 [0,0,0,0,0,0|2,0,2]=4 31 B6R0.1 CCOC(=O)C=C E112943 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CCOC(=O)C=C E112944 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 CCOC(=O)C=C E112945 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CCOC(=O)C=C E465763 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.1 CCOC(=O)C=O E106246 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.1 CNCC(CO)O M157918 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 COCC(CCl)O C153895 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.1 COCC(CN)O A479789 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 COCC(CO)O M135227 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 B(CCC)(O)O P120303 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 C(CBr)C(=O)Cl B135557 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 C(CBr)C(=O)N B152335 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 C(CBr)C(=O)O B106081 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 C(CCl)C(=O)Cl C109466 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 C(CCl)C(=O)N C171099 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C(CCl)C(=O)O C106515 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 C(CI)C(=O)O I157542 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 C(CN)C(=O)N B135870 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 C(CN)C(=O)O A105703 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 C(CN)C(=O)O A137901 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 C(CN)C(=O)O A494514 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 C(CO)C(=O)O H136635 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 C(CO)[N+](=O)[O-] N110256 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 C(CS(=O)O)N H303371 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 C(CS)C(=O)O M103035 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.1 C(CS)C(=O)O M103036 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 C(CS)C(=O)O M590994 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CC#CC(C)C M157953 [1,0,0,0,0,0|0,0,3]=4 59 B5R0.1 CC(=C)CCO M158231 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CC(=O)CCO H106330 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.1 CC(=O)COC M158844 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 CC(=O)NCO A151630 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.1 CC(=O)OCBr B122544 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.1 CC(=O)OCCl C194261 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 CC(C)CC#C M157952 [1,0,0,0,0,0|0,0,3]=4 66 B5R0.1 CC(C)CC#N I137312 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.1 CC(C)CC=C M158219 [1,0,0,0,0,0|0,0,3]=4 68 B5R0.1 CC(C)CC=O I103729 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 CC(C)CC=O I103733 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 CC(C)CCBr I109279 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.1 CC(C)CCCl C105682 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.1 CC(C)CCI I100674 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.1 CC(C)CCN I109581 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CC(C)CCN I404590 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.1 CC(C)CCO M116196 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.1 CC(C)CCO M116197 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.1 CC(C)CCO M116198 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.1 CC(C)CCO M116200 [1,0,0,0,0,0|1,0,1]=3 79 B5R0.1 CC(C)CCO M116201 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.1 CC(C)CCO M119838 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.1 CC(C)CCS M101609 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.1 CC(C)CNN I588327 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 CC(C)C[Zn]Br I465880 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CC(C)OCCl C189120 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 CC(CC#C)O P160660 [1,0,0,0,0,0|0,0,3]=4 86 B5R0.1 CC(CC=C)O P160534 [1,0,0,0,0,0|0,0,3]=4 87 B5R0.1 CC(CC=C)O R467366 [1,0,0,0,0,0|0,0,3]=4 88 B5R0.1 CC(CC=C)O S467331 [1,0,0,0,0,0|0,0,3]=4 89 B5R0.1 CC(CCBr)Br D155315 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 CC(CCBr)O B589640 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.1 CC(CCCl)Cl D155308 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.1 CC(CCO)N A123608 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.1 CC(CCO)N A183438 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.1 CC(CCO)N S176942 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.1 CC(CCO)O B111016 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.1 CC(CCO)O B111017 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.1 CC(CCO)O B111018 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.1 CC(CCO)O B119672 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.1 CC(CCO)O R160960 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 CC(CCO)O S138551 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 CC(CNC)O M587581 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.1 CC(COC)N M169973 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.1 CC(COC)N S475332 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.1 CC(COC)N S586466 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.1 CC(COC)O M105264 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.1 CC(COC)O M105265 [1,0,0,0,0,0|1,0,1]=3 107 B5R0.1 CC(COC)O M105266 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.1 CC(COC)O M299436 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.1 CC(COC)O R160841 [1,0,0,0,0,0|1,0,1]=3 110 B5R0.1 CC(COC)O S161357 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.1 CC=CC(=O)C P139100 [1,0,0,0,0,0|0,0,3]=4 112 B5R0.1 CC=CC(C)C M158236 [1,0,0,0,0,0|0,0,3]=4 113 B5R0.1 CC=CC(C)C T162379 [1,0,0,0,0,0|0,0,3]=4 114 B5R0.1 CCC=C(C)C M158233 [1,0,0,0,0,0|0,0,3]=4 115 B5R0.1 CCCC(=C)C M158211 [1,0,0,0,0,0|0,0,1]=2 116 B5R0.1 CCCC(=O)C P103780 [1,0,0,0,0,0|0,0,1]=2 117 B5R0.1 CCCC(=O)C P103781 [1,0,0,0,0,0|0,0,1]=2 118 B5R0.1 CCCC(=O)C P103782 [1,0,0,0,0,0|0,0,1]=2 119 B5R0.1 CCCC(=O)C P103783 [1,0,0,0,0,0|0,0,1]=2 120 B5R0.1 CCCC(=O)Cl B108666 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 CCCC(=O)N B152329 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 CCCC(=O)O B110438 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 CCCC(=O)O B110439 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.1 CCCC(=O)O B110440 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 CCCC(=O)O B110442 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 CCCC(=O)O B274612 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 CCCC(=O)O B431361 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.1 CCCC(=O)[O-] S102954 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 CCCC(=O)[O-] S102956 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.1 CCCC(=O)[O-] S346178 [1,0,0,0,0,0|1,0,1]=3 131 B5R0.1 CCCC(=O)[O-] S421873 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.1 CCCC(C)Br B400517 [1,0,0,0,0,0|1,0,0]=2 133 B5R0.1 CCCC(C)C I157548 [1,0,0,0,0,0|0,0,1]=2 134 B5R0.1 CCCC(C)C M105775 [1,0,0,0,0,0|0,0,1]=2 135 B5R0.1 CCCC(C)C M105776 [1,0,0,0,0,0|0,0,1]=2 136 B5R0.1 CCCC(C)C M105777 [1,0,0,0,0,0|0,0,1]=2 137 B5R0.1 CCCC(C)C M105778 [1,0,0,0,0,0|0,0,1]=2 138 B5R0.1 CCCC(C)C M137744 [1,0,0,0,0,0|0,0,1]=2 139 B5R0.1 CCCC(C)Cl C467357 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.1 CCCC(C)N A151353 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.1 CCCC(C)O P103442 [1,0,0,0,0,0|0,0,1]=2 142 B5R0.1 CCCC(C)O P103443 [1,0,0,0,0,0|0,0,1]=2 143 B5R0.1 CCCC(C)O R138651 [1,0,0,0,0,0|0,0,1]=2 144 B5R0.1 CCCC(C)O S138580 [1,0,0,0,0,0|0,0,1]=2 145 B5R0.1 CCCN(C)C N404354 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.1 CCC[N+](=O)[O-] N109053 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.1 CCNC(=O)C I135660 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.1 CCNC(=O)N E105944 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 CCNC(C)C N159098 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.1 CCOC(=N)C E132730 [1,0,0,0,0,0|2,0,1]=4 151 B5R0.1 CCOC(=O)C E116131 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.1 CCOC(=O)C E116132 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.1 CCOC(=O)C E116133 [1,0,0,0,0,0|1,0,1]=3 154 B5R0.1 CCOC(=O)C E116134 [1,0,0,0,0,0|1,0,1]=3 155 B5R0.1 CCOC(=O)C E116135 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.1 CCOC(=O)C E116136 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.1 CCOC(=O)C E116137 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.1 CCOC(=O)C E116138 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.1 CCOC(=O)C E116139 [1,0,0,0,0,0|1,0,1]=3 160 B5R0.1 CCOC(=O)C E116141 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.1 CCOC(=O)C E116142 [1,0,0,0,0,0|1,0,1]=3 162 B5R0.1 CCOC(=O)C E119698 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.1 CCOC(=O)C E141165 [1,0,0,0,0,0|1,0,1]=3 164 B5R0.1 CCOC(=O)C E302266 [1,0,0,0,0,0|1,0,1]=3 165 B5R0.1 CCOC(=O)C E432070 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.1 CCOC(=O)N C266075 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 CCOC(=O)N E424443 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.1 CCOC(=O)N U108629 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 CCOC(=O)N U299635 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.1 CCO[Si](=O)O E302202 [1,0,0,0,0,0|2,1,0]=4 171 B5R0.1 CCO[Si](C)C D191031 [1,0,0,0,0,0|1,1,1]=4 172 B5R0.1 CCSC(=O)C E107950 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.1 CCSC(=S)C E338928 [1,0,0,0,0,0|1,1,1]=4 174 B5R0.1 CN(C)CCBr B183437 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.1 CN(C)CCN D105347 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.1 CN(C)CCN N404297 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.1 CN(C)CCN N404298 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.1 CN(C)CCO D109078 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.1 CN(C)CCO D109079 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CN(C)CCO D109080 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 CNCC(=O)N S115899 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 CNCC(=O)O S102891 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CNCC(=O)O S113893 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.1 CNCC(=O)O S420541 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 CNCC(=O)[O-] S189142 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.1 COCC(=O)Cl M124203 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.1 COCC(=O)O M158057 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.1 CSCC(=O)N M158330 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.1 CSCC(=O)O M168970 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.1 CSCS(=O)C M158415 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.2 C#CCCCCl C107731 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.2 C#CCCCI I465322 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.2 C#CCCCO P106295 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.2 C(C#N)OC=O C153899 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.2 C(CBr)N=C=O B463144 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.2 C(CC#N)CBr B152157 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.2 C(CC#N)CCl C102368 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.2 C(CCBr)CBr D105749 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.2 C(CCBr)CCl B109690 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.2 C(CCBr)CF B122542 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.2 C(CCBr)CN B163034 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.2 C(CCBr)CO B136242 [1,0,0,0,0,0|1,0,2]=4 203 B5R0.2 C(CCCl)CCl D103409 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.2 C(CCCl)CO C118833 [1,0,0,0,0,0|1,0,2]=4 205 B5R0.2 C(CCI)CCl C153542 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.2 C(CCI)CI D155304 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.2 C(CCN)CN B292804 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.2 C(CCN)CN B304967 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.2 C(CCN)CN B492953 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.2 C(CCN)CN D106194 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.2 C(CCN)CN D423441 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.2 C(CCN)CN D472054 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.2 C(CCO)CN A109739 [1,0,0,0,0,0|1,0,2]=4 214 B5R0.2 C(CCO)CO B110391 [1,0,0,0,0,0|1,0,2]=4 215 B5R0.2 C(CCO)CO B110394 [1,0,0,0,0,0|1,0,2]=4 216 B5R0.2 C(CCO)CO B110395 [1,0,0,0,0,0|1,0,2]=4 217 B5R0.2 C(CCS)CO M338696 [1,0,0,0,0,0|1,0,2]=4 218 B5R0.2 C(CCS)CS B152757 [1,0,0,0,0,0|1,1,1]=4 219 B5R0.2 C(CCS)CS B419814 [1,0,0,0,0,0|1,1,1]=4 220 B5R0.2 C(CCl)N=C=O C106493 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.2 C=CCCC#N P160479 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.2 C=CCCC=C C118545 [1,0,0,0,0,0|1,0,2]=4 223 B5R0.2 C=CCCC=C H106694 [1,0,0,0,0,0|1,0,2]=4 224 B5R0.2 C=CCCCBr B107734 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.2 C=CCCCO P103073 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.2 C=COCCO E135293 [1,0,0,0,0,0|3,0,0]=4 227 B5R0.2 CC=CCC=C H157263 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.2 CC=CCC=C T162375 [1,0,0,0,0,0|1,0,2]=4 229 B5R0.2 CCC=CC=O T161487 [1,0,0,0,0,0|0,0,2]=3 230 B5R0.2 CCCC#CC H157356 [1,0,0,0,0,0|1,0,2]=4 231 B5R0.2 CCCC=CC C153486 [1,0,0,0,0,0|1,0,1]=3 232 B5R0.2 CCCC=CC H157262 [1,0,0,0,0,0|1,0,1]=3 233 B5R0.2 CCCC=CC T162371 [1,0,0,0,0,0|1,0,1]=3 234 B5R0.2 CCCC=NO B152406 [1,0,0,0,0,0|1,0,2]=4 235 B5R0.2 CCCCC#C H106703 [1,0,0,0,0,0|1,0,1]=3 236 B5R0.2 CCCCC#N B100431 [1,0,0,0,0,0|1,0,1]=3 237 B5R0.2 CCCCC#N B100432 [1,0,0,0,0,0|1,0,1]=3 238 B5R0.2 CCCCC=C H109530 [1,0,0,0,0,0|1,0,0]=2 239 B5R0.2 CCCCC=C H109531 [1,0,0,0,0,0|1,0,0]=2 240 B5R0.2 CCCCC=C H109532 [1,0,0,0,0,0|1,0,0]=2 241 B5R0.2 CCCCC=C H109533 [1,0,0,0,0,0|1,0,0]=2 242 B5R0.2 CCCCC=O V103717 [1,0,0,0,0,0|0,0,0]=1 243 B5R0.2 CCCCCBr B104782 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.2 CCCCCBr B305762 [1,0,0,0,0,0|1,0,1]=3 245 B5R0.2 CCCCCC H100107 [1,0,0,0,0,0|1,0,1]=3 246 B5R0.2 CCCCCC H109653 [1,0,0,0,0,0|1,0,1]=3 247 B5R0.2 CCCCCC H109654 [1,0,0,0,0,0|1,0,1]=3 248 B5R0.2 CCCCCC H109656 [1,0,0,0,0,0|1,0,1]=3 249 B5R0.2 CCCCCC H109659 [1,0,0,0,0,0|1,0,1]=3 250 B5R0.2 CCCCCC H119662 [1,0,0,0,0,0|1,0,1]=3 251 B5R0.2 CCCCCC H121283 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.2 CCCCCC H140380 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.2 CCCCCC H298923 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.2 CCCCCC N431441 [1,0,0,0,0,0|1,0,1]=3 255 B5R0.2 CCCCCCl C109473 [1,0,0,0,0,0|1,0,1]=3 256 B5R0.2 CCCCCCl C109474 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.2 CCCCCF F171115 [1,0,0,0,0,0|1,0,1]=3 258 B5R0.2 CCCCCI I104798 [1,0,0,0,0,0|1,0,1]=3 259 B5R0.2 CCCCCN A105343 [1,0,0,0,0,0|1,0,1]=3 260 B5R0.2 CCCCCN P292685 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.2 CCCCCN P292697 [1,0,0,0,0,0|1,0,1]=3 262 B5R0.2 CCCCCN P292701 [1,0,0,0,0,0|1,0,1]=3 263 B5R0.2 CCCCCN P494144 [1,0,0,0,0,0|1,0,1]=3 264 B5R0.2 CCCCCO N350217 [1,0,0,0,0,0|0,0,2]=3 265 B5R0.2 CCCCCO P108125 [1,0,0,0,0,0|0,0,2]=3 266 B5R0.2 CCCCCO P108126 [1,0,0,0,0,0|0,0,2]=3 267 B5R0.2 CCCCCO P108127 [1,0,0,0,0,0|0,0,2]=3 268 B5R0.2 CCCCCO P108128 [1,0,0,0,0,0|0,0,2]=3 269 B5R0.2 CCCCCO P108129 [1,0,0,0,0,0|0,0,2]=3 270 B5R0.2 CCCCCO P108130 [1,0,0,0,0,0|0,0,2]=3 271 B5R0.2 CCCCCS A100028 [1,0,0,0,0,0|0,1,1]=3 272 B5R0.2 CCCCOC B152821 [1,0,0,0,0,0|2,0,0]=3 273 B5R0.2 CCCCON O184596 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.2 CCCCSC B152508 [1,0,0,0,0,0|2,0,0]=3 275 B5R0.2 CCCC[Sn]Cl B302420 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.2 CCCN=C=S P140610 [1,0,0,0,0,0|1,1,1]=4 277 B5R0.2 CCCNCC N159096 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.2 CCCOC=C P137362 [1,0,0,0,0,0|2,0,0]=3 279 B5R0.2 CCCOC=O P160055 [1,0,0,0,0,0|1,0,0]=2 280 B5R0.2 CCCOCC E156162 [1,0,0,0,0,0|2,0,1]=4 281 B5R0.2 CCCSCC E134963 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.2 CCCSSC M103114 [1,0,0,0,0,0|3,0,0]=4 283 B5R0.2 CCNCCN N138023 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.2 CCNCCO E156112 [1,0,0,0,0,0|1,0,2]=4 285 B5R0.2 CCNCCO E301665 [1,0,0,0,0,0|1,0,2]=4 286 B5R0.2 CCOC=CC E122346 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.2 CCOCC=C A151091 [1,0,0,0,0,0|2,0,0]=3 288 B5R0.2 CCOCCBr B152837 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.2 CCOCCCl C153264 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.2 CCOCCN E156296 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 CCOCCO E110821 [1,0,0,0,0,0|1,0,2]=4 292 B5R0.2 CCOCCO E110822 [1,0,0,0,0,0|1,0,2]=4 293 B5R0.2 CCOCCO E118463 [1,0,0,0,0,0|1,0,2]=4 294 B5R0.2 CCSCCCl C102885 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 CCSCCN E170901 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 CCSCCN E300178 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.2 CCSCCO E156428 [1,0,0,0,0,0|1,0,2]=4 298 B5R0.2 CNCCC#N M104316 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.2 CNCCCN N104493 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.2 CNCCCO M133702 [1,0,0,0,0,0|1,0,2]=4 301 B5R0.2 CNCCNC D106275 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.2 CNCCOC N159090 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.2 COCCC#N M158577 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.2 COCCCBr B136284 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.2 COCCCCl C108061 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 COCCCN M134485 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.2 COCCCN M587821 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 COCCCO M107732 [1,0,0,0,0,0|1,0,2]=4 309 B5R0.2 COCCOC D299631 [1,0,0,0,0,0|3,0,0]=4 310 B5R0.2 COCCOC E104387 [1,0,0,0,0,0|3,0,0]=4 311 B5R0.2 COCCOC E104388 [1,0,0,0,0,0|3,0,0]=4 312 B5R0.2 COCCOC E104391 [1,0,0,0,0,0|3,0,0]=4 313 B5R0.2 COCCOC E119676 [1,0,0,0,0,0|3,0,0]=4 314 B5R0.2 COCCOC I282413 [1,0,0,0,0,0|3,0,0]=4 315 B5R0.2 COCCOC P107530 [1,0,0,0,0,0|3,0,0]=4 316 B5R0.2 COCCOC P432396 [1,0,0,0,0,0|3,0,0]=4 317 B5R0.2 COCCOC P432397 [1,0,0,0,0,0|3,0,0]=4 318 B5R0.2 COCCOC P432398 [1,0,0,0,0,0|3,0,0]=4 319 B5R0.2 CSCCC=O M109548 [1,0,0,0,0,0|1,0,0]=2 320 B5R0.2 CSCCCN M158420 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.2 CSCCCO M102967 [1,0,0,0,0,0|1,0,2]=4 322 B5R0.2 CSSCC=C M103119 [1,0,0,0,0,0|3,0,0]=4 323 B5R0.2 ClCCOC=C V141139 [1,0,0,0,0,0|3,0,0]=4 324 B5R0.2 OCCCCO P487355 [1,0,0,0,0,0|1,0,2]=4 325 B5R0.3 C(=O)C(C=O)Br B122442 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.3 C(C(C=O)O)O D134978 [1,0,0,0,0,0|2,0,0]=3 327 B5R0.3 C(C(C=O)O)O D589509 [1,0,0,0,0,0|2,0,0]=3 328 B5R0.3 C(C(C=O)O)O S138916 [1,0,0,0,0,0|2,0,0]=3 329 B5R0.3 C=CC(CCl)Cl D155424 [1,0,0,0,0,0|3,0,0]=4 330 B5R0.3 C=CC(CO)O B589259 [1,0,0,0,0,0|3,0,0]=4 331 B5R0.3 CC(C=C)C#N M158306 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.3 CC(CN)CO A483603 [1,0,0,0,0,0|1,0,2]=4 333 B5R0.3 CC(CO)CBr R469876 [1,0,0,0,0,0|1,0,2]=4 334 B5R0.3 CC(CO)CBr S469920 [1,0,0,0,0,0|1,0,2]=4 335 B5R0.3 CC(CO)CO M141411 [1,0,0,0,0,0|1,0,2]=4 336 B5R0.3 CC(CO)OC R194193 [1,0,0,0,0,0|1,0,2]=4 337 B5R0.3 CC(OC)OC D155919 [1,0,0,0,0,0|3,0,0]=4 338 B5R0.3 CC=C(C)C=O T161495 [1,0,0,0,0,0|0,0,2]=3 339 B5R0.3 CCC(=C)C=O E189230 [1,0,0,0,0,0|0,0,2]=3 340 B5R0.3 CCC(=CC)C T162381 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.3 CCC(=NO)C B105233 [1,0,0,0,0,0|1,0,2]=4 342 B5R0.3 CCC(C#C)O P138822 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.3 CCC(C)C#N M158304 [1,0,0,0,0,0|1,0,1]=3 344 B5R0.3 CCC(C)C=C M158226 [1,0,0,0,0,0|1,0,0]=2 345 B5R0.3 CCC(C)C=O M158687 [1,0,0,0,0,0|0,0,0]=1 346 B5R0.3 CCC(C)CBr B120302 [1,0,0,0,0,0|1,0,1]=3 347 B5R0.3 CCC(C)CBr B188983 [1,0,0,0,0,0|1,0,1]=3 348 B5R0.3 CCC(C)CC M109051 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.3 CCC(C)CC M109052 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.3 CCC(C)CCl C153548 [1,0,0,0,0,0|1,0,1]=3 351 B5R0.3 CCC(C)CCl S160982 [1,0,0,0,0,0|1,0,1]=3 352 B5R0.3 CCC(C)CI I157547 [1,0,0,0,0,0|1,0,1]=3 353 B5R0.3 CCC(C)CN S467250 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.3 CCC(C)CO M106456 [1,0,0,0,0,0|0,0,2]=3 355 B5R0.3 CCC(C)CO M106654 [1,0,0,0,0,0|0,0,2]=3 356 B5R0.3 CCC(C)CS M103069 [1,0,0,0,0,0|0,1,1]=3 357 B5R0.3 CCC(C)OC S161061 [1,0,0,0,0,0|2,0,0]=3 358 B5R0.3 CCC(C=C)O P160532 [1,0,0,0,0,0|2,0,0]=3 359 B5R0.3 CCC(CBr)Br D102336 [1,0,0,0,0,0|2,0,1]=4 360 B5R0.3 CCC(CBr)O B152045 [1,0,0,0,0,0|2,0,1]=4 361 B5R0.3 CCC(CC)Br B106965 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.3 CCC(CC)N A133949 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.3 CCC(CC)O P109359 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.3 CCC(CCl)Cl D155318 [1,0,0,0,0,0|2,0,1]=4 365 B5R0.3 CCC(CN)O A151121 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.3 CCC(CO)N A106025 [1,0,0,0,0,0|1,0,2]=4 367 B5R0.3 CCC(CO)N A107264 [1,0,0,0,0,0|1,0,2]=4 368 B5R0.3 CCC(CO)N A107265 [1,0,0,0,0,0|1,0,2]=4 369 B5R0.3 CCC(CO)O B153217 [1,0,0,0,0,0|1,0,2]=4 370 B5R0.3 CCC(CO)O B300651 [1,0,0,0,0,0|1,0,2]=4 371 B5R0.3 CCC(CO)O R160952 [1,0,0,0,0,0|1,0,2]=4 372 B5R0.3 CCC(CO)O S161003 [1,0,0,0,0,0|1,0,2]=4 373 B5R0.3 CCC(CS)S B152748 [1,0,0,0,0,0|1,1,1]=4 374 B5R0.3 CCN(C)CC N159249 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.3 CCN(C)N=O N114391 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.3 CC[Si](C)CC D337339 [1,0,0,0,0,0|1,1,1]=4 377 B5R0.3 CN(C=O)OC N588715 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.2 CC(C)CC(=NO)C M302141 [0,1,0,0,0,0|1,0,2]=4 379 B7R0.2 CC(C)CC(C#C)O M157950 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.2 CC(C)CC(CO)N L117136 [0,1,0,0,0,0|1,0,2]=4 381 B7R0.2 CC(C)CC(CO)N S133878 [0,1,0,0,0,0|1,0,2]=4 382 B7R0.2 CC(CN(C)C)CCl D134652 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.2 CCC(C)CC(C)C D155187 [0,1,0,0,0,0|1,0,1]=3 384 B7R0.2 CCC(C)CC(C)N D135535 [0,1,0,0,0,0|1,0,1]=3 385 B7R0.3 C(CC(CO)O)CO P160114 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.3 CC(CCC#N)C#N M158303 [0,1,0,0,0,0|1,0,2]=4 387 B7R0.3 CC(CCCN)CN M158599 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.3 CCCCC(C#C)O H115791 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.3 CCCCC(C)CC M113650 [0,1,0,0,0,0|1,0,1]=3 390 B7R0.3 CCCCC(C=C)O H589251 [0,1,0,0,0,0|2,0,0]=3 391 B7R0.3 CCCCC(CC)Br B152441 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.3 CCCCC(CC)O H156872 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.3 CCCCC(CO)N R349958 [0,1,0,0,0,0|1,0,2]=4 394 B7R0.3 CCCCC(CO)O H108067 [0,1,0,0,0,0|1,0,2]=4 395 B7R0.3 CCCNC(=O)C=C N404954 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.3 CCCNC(C)CC N158968 [0,1,0,0,0,0|1,0,1]=3 397 B7R0.3 CCOCC(CO)O E305267 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.3 CSCCC(CO)N D339853 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.3 CSCCC(CO)N M117138 [0,1,0,0,0,0|1,0,2]=4 400 B7R0.3 CSCCC(CO)N S167794 [0,1,0,0,0,0|1,0,2]=4 401 B7R0.5 C#CCC(C(=O)O)N D133969 [0,1,0,0,0,0|1,0,2]=4 402 B7R0.5 C#CCC(C(=O)O)N R192202 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.5 C#CCC(C(=O)O)N R304808 [0,1,0,0,0,0|1,0,2]=4 404 B7R0.5 C#CCC(C(=O)O)N S168837 [0,1,0,0,0,0|1,0,2]=4 405 B7R0.5 C(CBr)C(C(=O)O)N A101191 [0,1,0,0,0,0|2,0,0]=3 406 B7R0.5 C(CN)C(C(=O)O)N D102446 [0,1,0,0,0,0|2,0,0]=3 407 B7R0.5 C(CN)C(C(=O)O)N D113499 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.5 C(CN)C(C(=O)O)N D117019 [0,1,0,0,0,0|2,0,0]=3 409 B7R0.5 C(CN)C(C(=O)O)O H181248 [0,1,0,0,0,0|2,0,0]=3 410 B7R0.5 C(CN)C(C(=O)O)O S161042 [0,1,0,0,0,0|2,0,0]=3 411 B7R0.5 C(CO)C(C(=O)O)N H100541 [0,1,0,0,0,0|2,0,0]=3 412 B7R0.5 C(CO)C(C(=O)O)N H101557 [0,1,0,0,0,0|2,0,0]=3 413 B7R0.5 C(CO)C(C(=O)O)N H105430 [0,1,0,0,0,0|2,0,0]=3 414 B7R0.5 C(CO)C(C(=O)O)N L425384 [0,1,0,0,0,0|2,0,0]=3 415 B7R0.5 C(CS)C(C(=O)O)N H106297 [0,1,0,0,0,0|2,0,0]=3 416 B7R0.5 C(CS)C(C(=O)O)N L134501 [0,1,0,0,0,0|2,0,0]=3 417 B7R0.5 C=CCC(C(=O)O)N A115225 [0,1,0,0,0,0|1,0,2]=4 418 B7R0.5 C=CCC(C(=O)O)N D101189 [0,1,0,0,0,0|1,0,2]=4 419 B7R0.5 C=CCC(C(=O)O)N D107871 [0,1,0,0,0,0|1,0,2]=4 420 B7R0.5 C=CCC(C(=O)O)N S101123 [0,1,0,0,0,0|1,0,2]=4 421 B7R0.5 C=CCC(C(=O)O)N S161223 [0,1,0,0,0,0|1,0,2]=4 422 B7R0.5 CC(=O)N(C)CCO N167555 [0,1,0,0,0,0|2,0,0]=3 423 B7R0.5 CC(C(=O)O)N=[N+]=[N-] I166546 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.5 CC(C(=O)O)NC=O N159048 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.5 CC(CC=C)C(=O)O M111848 [0,1,0,0,0,0|0,0,2]=3 426 B7R0.5 CCC=C(C)C(=O)O M102542 [0,1,0,0,0,0|0,0,2]=3 427 B7R0.5 CCC=C(C)C(=O)O M107371 [0,1,0,0,0,0|0,0,2]=3 428 B7R0.5 CCCC(=O)C(=O)C H106696 [0,1,0,0,0,0|1,0,1]=3 429 B7R0.5 CCCC(=O)C(=O)O O159954 [0,1,0,0,0,0|1,0,1]=3 430 B7R0.5 CCCC(C(=O)O)Br B152768 [0,1,0,0,0,0|1,0,0]=2 431 B7R0.5 CCCC(C(=O)O)N N100542 [0,1,0,0,0,0|1,0,0]=2 432 B7R0.5 CCCC(C(=O)O)N N106191 [0,1,0,0,0,0|1,0,0]=2 433 B7R0.5 CCCC(C(=O)O)N N106215 [0,1,0,0,0,0|1,0,0]=2 434 B7R0.5 CCCC(C(=O)O)O S193305 [0,1,0,0,0,0|1,0,0]=2 435 B7R0.5 CCCC(C(=O)[O-])O B301319 [0,1,0,0,0,0|1,0,0]=2 436 B7R0.5 CCCC(C)C(=O)C M158798 [0,1,0,0,0,0|0,0,0]=1 437 B7R0.5 CCCC(C)C(=O)O B300596 [0,1,0,0,0,0|0,0,0]=1 438 B7R0.5 CCCC(C)C(=O)O M117868 [0,1,0,0,0,0|0,0,0]=1 439 B7R0.5 CCCC(C)C(=O)O M427193 [0,1,0,0,0,0|0,0,0]=1 440 B7R0.5 CCCC(C)C(C)C D155209 [0,1,0,0,0,0|1,0,1]=3 441 B7R0.5 CCOC(=O)C(=O)C E113332 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.5 CCOC(=O)C(=O)Cl E109372 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.5 CCOC(=O)C(=O)N E156399 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.5 CCSC(C)C(=O)O E168418 [0,1,0,0,0,0|1,0,0]=2 446 B7R0.5 CNCC(C(=O)O)N S132658 [0,1,0,0,0,0|2,0,0]=3 447 B7R0.5 COCC(C(=O)O)Cl C133763 [0,1,0,0,0,0|2,0,0]=3 448 B7R0.5 COCC(C(=O)O)N S135785 [0,1,0,0,0,0|2,0,0]=3 449 B7R0.5 CSCC(C(=O)O)N M116973 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.5 C[Se]CC(C(=O)O)N S161277 [0,1,0,0,0,0|2,0,0]=3 451 B7R0.7 CC(CCO)CCO M157872 [0,1,0,0,0,0|1,0,2]=4 452 B7R0.7 CCCC(=O)OC=C V162944 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.7 CCCC(C)CCC M113651 [0,1,0,0,0,0|1,0,1]=3 454 B7R0.7 CCCC(CCC)N H156930 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.7 CCCC(CCC)O H156873 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.7 CCCC(CCO)S M102905 [0,1,0,0,0,0|1,0,2]=4 457 B7R0.7 CCCN(C)CCC I169711 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.7 CCOC(C)OCC A109196 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.7 CCOC(C)OCC A109197 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.10 C(C(C(C=O)O)O)O E120857 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.10 CCC(C(C)CO)S M404750 [0,1,0,0,0,0|0,0,2]=3 462 B7R0.10 CCC(C)C(CO)N I117134 [0,1,0,0,0,0|1,0,2]=4 463 B7R0.11 CC(C)(CC=C)C=O D299504 [0,1,0,0,0,0|0,0,2]=3 464 B7R0.11 CC(C)(CCO)OC M158753 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.11 CCC(C)(C)OCC T162410 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.11 CCCC(C)(C)C#N D154620 [0,1,0,0,0,0|1,0,1]=3 467 B7R0.11 CCO[Si](C)(C)C=C D155112 [0,1,0,0,0,0|2,1,0]=4 468 B7R0.12 CCN(CCO)N=O N158964 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.12 CNCC(OC)OC M102352 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.12 COC(CCBr)OC B153148 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.12 COC(CSC)OC M133839 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.12 COCC(OC)OC T162575 [0,1,0,0,0,0|3,0,0]=4 473 B7R1.1 C1CC(NC1)CN A121648 [0,0,0,1,0,0|2,0,1]=4 474 B7R1.1 C1CC(NC1)CO P106015 [0,0,0,1,0,0|1,0,2]=4 475 B7R1.1 C1CC(NC1)CO P117145 [0,0,0,1,0,0|1,0,2]=4 476 B7R1.1 C1CC(NC1)CO P133858 [0,0,0,1,0,0|1,0,2]=4 477 B7R1.1 C1CC(OC1)C=O T479472 [0,0,0,1,0,0|1,0,0]=2 478 B7R1.1 C1CC(OC1)CBr T161718 [0,0,0,1,0,0|2,0,1]=4 479 B7R1.1 C1CC(OC1)CCl T109587 [0,0,0,1,0,0|2,0,1]=4 480 B7R1.1 C1CC(OC1)CN T111157 [0,0,0,1,0,0|2,0,1]=4 481 B7R1.1 C1CC(OC1)CN T113724 [0,0,0,1,0,0|2,0,1]=4 482 B7R1.1 C1CC(OC1)CN T119768 [0,0,0,1,0,0|2,0,1]=4 483 B7R1.1 C1CC(OC1)CO T105718 [0,0,0,1,0,0|1,0,2]=4 484 B7R1.1 C1CC(OC1)CO T105720 [0,0,0,1,0,0|1,0,2]=4 485 B7R1.1 C1CC=C(C1)C=O C304145 [0,0,0,1,0,0|0,0,2]=3 486 B7R1.1 C1CCC(=NO)C1 C138083 [0,0,0,1,0,0|1,0,2]=4 487 B7R1.1 C1CCC(C1)C#N C124215 [0,0,0,1,0,0|1,0,1]=3 488 B7R1.1 C1CCC(C1)C=O C122650 [0,0,0,1,0,0|0,0,0]=1 489 B7R1.1 C1CCC(C1)CBr B184164 [0,0,0,1,0,0|1,0,1]=3 490 B7R1.1 C1CCC(C1)CI I169233 [0,0,0,1,0,0|1,0,1]=3 491 B7R1.1 C1CCC(C1)CN C176870 [0,0,0,1,0,0|1,0,1]=3 492 B7R1.1 C1CCC(C1)CO C121238 [0,0,0,1,0,0|0,0,2]=3 493 B7R1.1 C1CCC(C1)NN C168940 [0,0,0,1,0,0|2,0,0]=3 494 B7R1.1 C1CCN(C1)C#N P160518 [0,0,0,1,0,0|2,0,1]=4 495 B7R1.1 C1CCN(C1)C=O F469140 [0,0,0,1,0,0|1,0,0]=2 496 B7R1.1 C1CCN(C1)N=O N111145 [0,0,0,1,0,0|2,0,0]=3 497 B7R1.1 C1CCN(C1)N=O N114388 [0,0,0,1,0,0|2,0,0]=3 498 B7R1.1 C1CNCC1C#N P172391 [0,0,0,1,0,0|2,0,1]=4 499 B7R1.1 C1CNCC1C#N R172183 [0,0,0,1,0,0|2,0,1]=4 500 B7R1.1 C1CNCC1C#N S172182 [0,0,0,1,0,0|2,0,1]=4 501 B7R1.1 C1COCC1C=O T304657 [0,0,0,1,0,0|1,0,0]=2 502 B7R1.1 C1COCC1CBr B174868 [0,0,0,1,0,0|2,0,1]=4 503 B7R1.1 C1COCC1CN A167762 [0,0,0,1,0,0|2,0,1]=4 504 B7R1.1 C1COCC1CN A168112 [0,0,0,1,0,0|2,0,1]=4 505 B7R1.1 C1COCC1CO T136105 [0,0,0,1,0,0|1,0,2]=4 506 B7R1.1 C=CC1OCCO1 V472440 [0,0,0,1,0,0|3,0,0]=4 507 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|1,0,1]=3 508 B7R1.1 CCN1CCCC1 E156259 [0,0,0,1,0,0|2,0,1]=4 509 B7R1.1 CNC1CCNC1 M124586 [0,0,0,1,0,0|3,0,0]=4 510 B7R1.1 COC1CCCC1 C102202 [0,0,0,1,0,0|2,0,0]=3 511 B7R1.1 COC1CCCC1 C119688 [0,0,0,1,0,0|2,0,0]=3 512 B7R1.1 COC1CCCC1 C298967 [0,0,0,1,0,0|2,0,0]=3 513 B7R1.1 COC1CCNC1 R176558 [0,0,0,1,0,0|3,0,0]=4 514 B7R1.1 COC1CCNC1 S177181 [0,0,0,1,0,0|3,0,0]=4 515 B7R1.1 COC1CCNC1 S586566 [0,0,0,1,0,0|3,0,0]=4 516 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [0,0,0,1,0,0|2,0,0]=3 517 B7R1.2 C1C(C=CC1O)O I169369 [0,0,0,1,0,0|3,0,0]=4 518 B7R1.2 CC1CCC(C1)O M351118 [0,0,0,1,0,0|2,0,1]=4 519 B7R1.2 CC1CCC(N1)C D169683 [0,0,0,1,0,0|2,0,1]=4 520 B7R1.2 CC1CCC(O1)C D155243 [0,0,0,1,0,0|2,0,1]=4 521 B7R1.2 CC1COC(O1)C D404099 [0,0,0,1,0,0|1,0,2]=4 522 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,1,0,0|2,0,1]=4 523 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,1,0,0|2,0,1]=4 524 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,1,0,0|2,0,1]=4 525 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,1,0,0|2,0,1]=4 526 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,1,0,0|2,0,1]=4 527 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,1,0,0|2,0,1]=4 528 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,1,0,0|2,0,1]=4 529 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,1,0,0|2,0,1]=4 530 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,1,0,0|2,0,1]=4 531 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,1,0,0|2,0,1]=4 532 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,1,0,0|2,0,1]=4 533 B7R1.3 C1CC(COC1)N S172896 [0,0,0,1,0,0|1,0,2]=4 534 B7R1.3 C1CC(COC1)O O175461 [0,0,0,1,0,0|1,0,2]=4 535 B7R1.3 C1CC=CC(C1)Br B152008 [0,0,0,1,0,0|2,0,0]=3 536 B7R1.3 C1CC=CC(C1)O C137053 [0,0,0,1,0,0|2,0,0]=3 537 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,1,0,0|2,0,1]=4 538 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,1,0,0|2,0,1]=4 539 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,1,0,0|2,0,1]=4 540 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,1,0,0|2,0,1]=4 541 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,1,0,0|2,0,1]=4 542 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,1,0,0|2,0,1]=4 543 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,1,0,0|2,0,1]=4 544 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,1,0,0|2,0,1]=4 545 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,1,0,0|2,0,1]=4 546 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,1,0,0|2,0,1]=4 547 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,1,0,0|2,0,1]=4 548 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,1,0,0|2,0,1]=4 549 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,1,0,0|2,0,1]=4 550 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,1,0,0|2,0,1]=4 551 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,1,0,0|2,0,1]=4 552 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,1,0,0|2,0,1]=4 553 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,1,0,0|2,0,1]=4 554 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,1,0,0|2,0,1]=4 555 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,1,0,0|2,0,1]=4 556 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,1,0,0|1,0,1]=3 557 B7R1.3 CC1=CCNCC1 M178460 [0,0,0,1,0,0|2,0,1]=4 558 B7R1.3 CC1CCCC=C1 M158227 [0,0,0,1,0,0|1,0,0]=2 559 B7R1.3 CC1CCCCC1 M103329 [0,0,0,1,0,0|1,0,1]=3 560 B7R1.3 CC1CCCCC1 M103330 [0,0,0,1,0,0|1,0,1]=3 561 B7R1.3 CC1CCCCC1 M103331 [0,0,0,1,0,0|1,0,1]=3 562 B7R1.3 CC1CCCCC1 M118385 [0,0,0,1,0,0|1,0,1]=3 563 B7R1.3 CC1CCCCC1 M119670 [0,0,0,1,0,0|1,0,1]=3 564 B7R1.3 CC1CCCCN1 I169537 [0,0,0,1,0,0|2,0,0]=3 565 B7R1.3 CC1CCCCN1 M106737 [0,0,0,1,0,0|2,0,0]=3 566 B7R1.3 CC1CCCNC1 M158771 [0,0,0,1,0,0|1,0,1]=3 567 B7R1.3 CC1CCCNC1 R588230 [0,0,0,1,0,0|1,0,1]=3 568 B7R1.3 CC1CCCNC1 S191141 [0,0,0,1,0,0|1,0,1]=3 569 B7R1.3 CC1CCNCC1 M158650 [0,0,0,1,0,0|2,0,1]=4 570 B7R1.3 CC1CCOCO1 M158047 [0,0,0,1,0,0|3,0,0]=4 571 B7R1.3 CC1CNCCN1 M103218 [0,0,0,1,0,0|2,0,1]=4 572 B7R1.3 CC1CNCCN1 M120020 [0,0,0,1,0,0|2,0,1]=4 573 B7R1.3 CC1CNCCN1 R160832 [0,0,0,1,0,0|2,0,1]=4 574 B7R1.3 CC1CNCCO1 M588524 [0,0,0,1,0,0|2,0,1]=4 575 B7R1.3 CC1CNCCO1 R174894 [0,0,0,1,0,0|2,0,1]=4 576 B7R1.3 CC1CNCCO1 S172145 [0,0,0,1,0,0|2,0,1]=4 577 B7R1.3 CC1COCCN1 M193354 [0,0,0,1,0,0|1,0,2]=4 578 B7R1.3 CC1COCCN1 R160948 [0,0,0,1,0,0|1,0,2]=4 579 B7R1.3 CC1COCCN1 R177343 [0,0,0,1,0,0|1,0,2]=4 580 B7R1.3 CC1COCCN1 S176218 [0,0,0,1,0,0|1,0,2]=4 581 B7R1.3 CC1COCCN1 S189368 [0,0,0,1,0,0|1,0,2]=4 582 B7R1.3 CC1SCCCS1 M171134 [0,0,0,1,0,0|3,0,0]=4 583 B7R1.3 CN1CCCCC1 M106736 [0,0,0,1,0,0|2,0,1]=4 584 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,1,0,0|2,1,0]=4 585 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,1,0,0|1,0,2]=4 586 B7R1.4 C1C(C(=O)NO1)N C108718 [0,0,0,1,0,0|3,0,0]=4 587 B7R1.4 C1C(C(=O)NO1)N D136996 [0,0,0,1,0,0|3,0,0]=4 588 B7R1.4 C1C(C(=O)NO1)N D425443 [0,0,0,1,0,0|3,0,0]=4 589 B7R1.4 C1C(C(=O)NO1)N L423473 [0,0,0,1,0,0|3,0,0]=4 590 B7R1.4 C1C(C(=O)NO1)N S136251 [0,0,0,1,0,0|3,0,0]=4 591 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,0,0,1,0,0|1,0,2]=4 592 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,0,0,1,0,0|1,0,0]=2 593 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,0,0,1,0,0|1,0,0]=2 594 B7R1.4 C1CC(C(C1)Br)Br T332825 [0,0,0,1,0,0|2,0,1]=4 595 B7R1.4 C1CC(C(C1)N)N C588671 [0,0,0,1,0,0|2,0,1]=4 596 B7R1.4 C1CC(C(C1)O)N A101741 [0,0,0,1,0,0|1,0,2]=4 597 B7R1.4 C1CC(C(C1)O)N A101751 [0,0,0,1,0,0|1,0,2]=4 598 B7R1.4 C1CC(C(C1)O)N A187867 [0,0,0,1,0,0|1,0,2]=4 599 B7R1.4 C1CC(C(C1)O)N C348612 [0,0,0,1,0,0|1,0,2]=4 600 B7R1.4 C1CC(C(C1)O)N I168764 [0,0,0,1,0,0|1,0,2]=4 601 B7R1.4 C1CC(C(C1)O)N R465237 [0,0,0,1,0,0|1,0,2]=4 602 B7R1.4 C1CC(C(C1)O)O I170645 [0,0,0,1,0,0|1,0,2]=4 603 B7R1.4 C1CC(C(C1)O)O T471195 [0,0,0,1,0,0|1,0,2]=4 604 B7R1.4 C1CNC(=O)C1O H486731 [0,0,0,1,0,0|2,0,0]=3 605 B7R1.4 C1COC(=O)C1Br B107924 [0,0,0,1,0,0|2,0,0]=3 606 B7R1.4 C1COC(=O)C1N A101211 [0,0,0,1,0,0|2,0,0]=3 607 B7R1.4 C1COC(=O)C1N I167498 [0,0,0,1,0,0|2,0,0]=3 608 B7R1.4 C1COC(=O)C1N R137962 [0,0,0,1,0,0|2,0,0]=3 609 B7R1.4 C1COC(=O)C1O H113417 [0,0,0,1,0,0|2,0,0]=3 610 B7R1.4 C1COC(=O)C1O R591020 [0,0,0,1,0,0|2,0,0]=3 611 B7R1.4 C1COC(=O)C1O S161076 [0,0,0,1,0,0|2,0,0]=3 612 B7R1.4 C1COC(=O)N1N A114272 [0,0,0,1,0,0|3,0,0]=4 613 B7R1.4 C1CSC(=O)C1N H108030 [0,0,0,1,0,0|2,0,0]=3 614 B7R1.4 C1CSC(=O)C1N S169532 [0,0,0,1,0,0|2,0,0]=3 615 B7R1.4 C=C1CCOC1=O M108009 [0,0,0,1,0,0|1,0,2]=4 616 B7R1.4 CC1=CCCC1=O M165952 [0,0,0,1,0,0|0,0,2]=3 617 B7R1.4 CC1=CCOC1=O M158201 [0,0,0,1,0,0|1,0,2]=4 618 B7R1.4 CC1C(=O)CCO1 M102944 [0,0,0,1,0,0|1,0,0]=2 619 B7R1.4 CC1C(=O)CCS1 M102985 [0,0,0,1,0,0|1,0,0]=2 620 B7R1.4 CC1C(CCO1)S M102916 [0,0,0,1,0,0|1,1,1]=4 621 B7R1.4 CC1CCCC1=O M138029 [0,0,0,1,0,0|0,0,0]=1 622 B7R1.4 CC1CCCC1O B300625 [0,0,0,1,0,0|0,0,2]=3 623 B7R1.4 CC1CCOC1=O A151225 [0,0,0,1,0,0|1,0,0]=2 624 B7R1.4 CN1C(=O)CC=N1 M586169 [0,0,0,1,0,0|2,0,1]=4 625 B7R1.4 CN1CCCC1=O M100588 [0,0,0,1,0,0|1,0,0]=2 626 B7R1.4 CN1CCCC1=O M100589 [0,0,0,1,0,0|1,0,0]=2 627 B7R1.4 CN1CCCC1=O M100590 [0,0,0,1,0,0|1,0,0]=2 628 B7R1.4 CN1CCCC1=O M103246 [0,0,0,1,0,0|1,0,0]=2 629 B7R1.4 CN1CCCC1=O M103247 [0,0,0,1,0,0|1,0,0]=2 630 B7R1.4 CN1CCCC1=O M103248 [0,0,0,1,0,0|1,0,0]=2 631 B7R1.4 CN1CCCC1=O M103250 [0,0,0,1,0,0|1,0,0]=2 632 B7R1.4 CN1CCCC1=O M119668 [0,0,0,1,0,0|1,0,0]=2 633 B7R1.4 CN1CCCC1=O M434296 [0,0,0,1,0,0|1,0,0]=2 634 B7R1.4 CN1CCCC1=S M140448 [0,0,0,1,0,0|1,1,0]=3 635 B7R1.4 CN1CCNC1=O M304416 [0,0,0,1,0,0|2,0,0]=3 636 B7R1.4 CN1CCOC1=O M132701 [0,0,0,1,0,0|2,0,0]=3 637 B7R1.6 C1C(CN1)CCO A174496 [0,0,0,1,0,0|2,0,1]=4 638 B7R1.6 C1C(CO1)CCO O175897 [0,0,0,1,0,0|1,0,2]=4 639 B7R1.10 COC1CC(C1)N T173972 [0,0,0,1,0,0|3,0,0]=4 640 B7R1.21 CC1(N=N1)CCO A355203 [0,0,0,1,0,0|3,0,0]=4 641 B7R1.25 C1CC(C1)(CN)O A175135 [0,0,0,1,0,0|2,0,1]=4 642 B7R1.25 C1CC(C1)(CO)N A173832 [0,0,0,1,0,0|1,0,2]=4 643 B7R1.25 CC1(CNC1)C#N M178330 [0,0,0,1,0,0|2,0,1]=4 644 B7R1.25 CC1(CNC1)OC M178126 [0,0,0,1,0,0|3,0,0]=4 645 B7R1.25 CC1(COC1)CBr B177446 [0,0,0,1,0,0|2,0,1]=4 646 B7R1.25 CC1(COC1)CCl C153820 [0,0,0,1,0,0|2,0,1]=4 647 B7R1.25 CC1(COC1)CN M174504 [0,0,0,1,0,0|2,0,1]=4 648 B7R1.25 CC1(COC1)CO M104534 [0,0,0,1,0,0|1,0,2]=4 649 B4R0.1 CC(=C)C=O M133597 [2,0,0,0,0,0|0,0,2]=4 650 B4R0.1 CC(=C)C=O M139714 [2,0,0,0,0,0|0,0,2]=4 651 B4R0.1 CC(=C)CBr B101577 [2,0,0,0,0,0|1,0,1]=4 652 B4R0.1 CC(=C)CCl C106528 [2,0,0,0,0,0|1,0,1]=4 653 B4R0.1 CC(=C)CN M158608 [2,0,0,0,0,0|1,0,1]=4 654 B4R0.1 CC(=C)CO M107570 [2,0,0,0,0,0|1,0,1]=4 655 B4R0.1 CC(=CBr)C B163037 [2,0,0,0,0,0|1,0,1]=4 656 B4R0.1 CC(=CCl)C C170698 [2,0,0,0,0,0|1,0,1]=4 657 B4R0.1 CC(=O)C=O M109035 [2,0,0,0,0,0|1,0,1]=4 658 B4R0.1 CC(=O)C=O M109036 [2,0,0,0,0,0|1,0,1]=4 659 B4R0.1 CC(=O)CF F170335 [2,0,0,0,0,0|1,0,1]=4 660 B4R0.1 CC(=O)CN A186558 [2,0,0,0,0,0|1,0,1]=4 661 B4R0.1 CC(=O)CN A485063 [2,0,0,0,0,0|1,0,1]=4 662 B4R0.1 CC(=O)CO H111149 [2,0,0,0,0,0|1,0,1]=4 663 B4R0.1 CC(=O)NC M106450 [2,0,0,0,0,0|1,0,1]=4 664 B4R0.1 CC(=O)OC M103353 [2,0,0,0,0,0|1,0,1]=4 665 B4R0.1 CC(=O)OC M103354 [2,0,0,0,0,0|1,0,1]=4 666 B4R0.1 CC(=O)OC M103356 [2,0,0,0,0,0|1,0,1]=4 667 B4R0.1 CC(=O)OC M103357 [2,0,0,0,0,0|1,0,1]=4 668 B4R0.1 CC(=O)OC M103358 [2,0,0,0,0,0|1,0,1]=4 669 B4R0.1 CC(=O)OC M103359 [2,0,0,0,0,0|1,0,1]=4 670 B4R0.1 CC(=O)SC S161332 [2,0,0,0,0,0|1,0,1]=4 671 B4R0.1 CC(C)C#N I475044 [2,0,0,0,0,0|1,0,1]=4 672 B4R0.1 CC(C)C=O I108291 [2,0,0,0,0,0|0,0,0]=2 673 B4R0.1 CC(C)C=O I108292 [2,0,0,0,0,0|0,0,0]=2 674 B4R0.1 CC(C)C=O I108293 [2,0,0,0,0,0|0,0,0]=2 675 B4R0.1 CC(C)CBr B105783 [2,0,0,0,0,0|1,0,1]=4 676 B4R0.1 CC(C)CCl C106087 [2,0,0,0,0,0|1,0,1]=4 677 B4R0.1 CC(C)CI F118498 [2,0,0,0,0,0|1,0,1]=4 678 B4R0.1 CC(C)CN I103753 [2,0,0,0,0,0|1,0,1]=4 679 B4R0.1 CC(C)CN I103755 [2,0,0,0,0,0|1,0,1]=4 680 B4R0.1 CC(C)CN I103759 [2,0,0,0,0,0|1,0,1]=4 681 B4R0.1 CC(C)CN I157488 [2,0,0,0,0,0|1,0,1]=4 682 B4R0.1 CC(C)CN I157494 [2,0,0,0,0,0|1,0,1]=4 683 B4R0.1 CC(C)CN I157655 [2,0,0,0,0,0|1,0,1]=4 684 B4R0.1 CC(C)CO M103311 [2,0,0,0,0,0|0,0,2]=4 685 B4R0.1 CC(C)CO M103312 [2,0,0,0,0,0|0,0,2]=4 686 B4R0.1 CC(C)CO M103313 [2,0,0,0,0,0|0,0,2]=4 687 B4R0.1 CC(C)CO M103314 [2,0,0,0,0,0|0,0,2]=4 688 B4R0.1 CC(C)CO M103315 [2,0,0,0,0,0|0,0,2]=4 689 B4R0.1 CC(C)CO M103316 [2,0,0,0,0,0|0,0,2]=4 690 B4R0.1 CC(C)CO M103317 [2,0,0,0,0,0|0,0,2]=4 691 B4R0.1 CC(C)CO M359227 [2,0,0,0,0,0|0,0,2]=4 692 B4R0.1 CC(C)CS M102325 [2,0,0,0,0,0|0,1,1]=4 693 B4R0.1 CC(C)NC I124664 [2,0,0,0,0,0|1,0,1]=4 694 B4R0.1 CC(C)NN I157577 [2,0,0,0,0,0|2,0,0]=4 695 B4R0.1 CC(C)NO N159552 [2,0,0,0,0,0|1,0,1]=4 696 B4R0.1 CC(C)SC I132403 [2,0,0,0,0,0|1,0,1]=4 697 B4R0.1 CC(C=C)Cl C163038 [2,0,0,0,0,0|2,0,0]=4 698 B4R0.1 CC(C=C)O B152755 [2,0,0,0,0,0|2,0,0]=4 699 B4R0.1 CC(CBr)Br D106539 [2,0,0,0,0,0|2,0,0]=4 700 B4R0.1 CC(CBr)O B152044 [2,0,0,0,0,0|1,0,1]=4 701 B4R0.1 CC(CCl)Cl D108186 [2,0,0,0,0,0|2,0,0]=4 702 B4R0.1 CC(CCl)Cl D108187 [2,0,0,0,0,0|2,0,0]=4 703 B4R0.1 CC(CCl)Cl D108188 [2,0,0,0,0,0|2,0,0]=4 704 B4R0.1 CC(CCl)Cl D128131 [2,0,0,0,0,0|2,0,0]=4 705 B4R0.1 CC(CCl)O C113556 [2,0,0,0,0,0|1,0,1]=4 706 B4R0.1 CC(CCl)O R191807 [2,0,0,0,0,0|1,0,1]=4 707 B4R0.1 CC(CCl)O S189129 [2,0,0,0,0,0|1,0,1]=4 708 B4R0.1 CC(CN)N I131828 [2,0,0,0,0,0|2,0,0]=4 709 B4R0.1 CC(CN)N P103897 [2,0,0,0,0,0|2,0,0]=4 710 B4R0.1 CC(CN)N P121635 [2,0,0,0,0,0|2,0,0]=4 711 B4R0.1 CC(CN)O A108441 [2,0,0,0,0,0|1,0,1]=4 712 B4R0.1 CC(CN)O A108442 [2,0,0,0,0,0|1,0,1]=4 713 B4R0.1 CC(CN)O A278622 [2,0,0,0,0,0|1,0,1]=4 714 B4R0.1 CC(CN)O A299438 [2,0,0,0,0,0|1,0,1]=4 715 B4R0.1 CC(CN)O I157481 [2,0,0,0,0,0|1,0,1]=4 716 B4R0.1 CC(CN)O R160942 [2,0,0,0,0,0|1,0,1]=4 717 B4R0.1 CC(CN)O S161024 [2,0,0,0,0,0|1,0,1]=4 718 B4R0.1 CC(CO)Cl S138418 [2,0,0,0,0,0|2,0,0]=4 719 B4R0.1 CC(CO)N A109243 [2,0,0,0,0,0|2,0,0]=4 720 B4R0.1 CC(CO)N A117128 [2,0,0,0,0,0|2,0,0]=4 721 B4R0.1 CC(CO)N A117165 [2,0,0,0,0,0|2,0,0]=4 722 B4R0.1 CC(CO)O P101749 [2,0,0,0,0,0|1,0,1]=4 723 B4R0.1 CC(CO)O P101750 [2,0,0,0,0,0|1,0,1]=4 724 B4R0.1 CC(CO)O P103429 [2,0,0,0,0,0|1,0,1]=4 725 B4R0.1 CC(CO)O P103430 [2,0,0,0,0,0|1,0,1]=4 726 B4R0.1 CC(CO)O P103433 [2,0,0,0,0,0|1,0,1]=4 727 B4R0.1 CC(CO)O P103434 [2,0,0,0,0,0|1,0,1]=4 728 B4R0.1 CC(CO)O P424846 [2,0,0,0,0,0|1,0,1]=4 729 B4R0.1 CC(CS)S P160528 [2,0,0,0,0,0|1,1,0]=4 730 B4R0.1 CCC(=O)Br P107847 [2,0,0,0,0,0|1,0,1]=4 731 B4R0.1 CCC(=O)C B471974 [2,0,0,0,0,0|0,0,1]=3 732 B4R0.1 CCC(=O)Cl P108665 [2,0,0,0,0,0|1,0,1]=4 733 B4R0.1 CCC(=O)N P104016 [2,0,0,0,0,0|1,0,1]=4 734 B4R0.1 CCC(=O)O P110443 [2,0,0,0,0,0|1,0,1]=4 735 B4R0.1 CCC(=O)O P110444 [2,0,0,0,0,0|1,0,1]=4 736 B4R0.1 CCC(=O)O P110445 [2,0,0,0,0,0|1,0,1]=4 737 B4R0.1 CCC(=O)O P110446 [2,0,0,0,0,0|1,0,1]=4 738 B4R0.1 CCC(=O)O P110447 [2,0,0,0,0,0|1,0,1]=4 739 B4R0.1 CCC(=O)O P301795 [2,0,0,0,0,0|1,0,1]=4 740 B4R0.1 CCC(=O)O P343294 [2,0,0,0,0,0|1,0,1]=4 741 B4R0.1 CCC(=O)O P346208 [2,0,0,0,0,0|1,0,1]=4 742 B4R0.1 CCC(=O)O P434195 [2,0,0,0,0,0|1,0,1]=4 743 B4R0.1 CCC(=O)[O-] C112470 [2,0,0,0,0,0|1,0,1]=4 744 B4R0.1 CCC(=O)[O-] C112471 [2,0,0,0,0,0|1,0,1]=4 745 B4R0.1 CCC(=O)[O-] C492256 [2,0,0,0,0,0|1,0,1]=4 746 B4R0.1 CCC(=O)[O-] P160177 [2,0,0,0,0,0|1,0,1]=4 747 B4R0.1 CCC(=O)[O-] S100120 [2,0,0,0,0,0|1,0,1]=4 748 B4R0.1 CCC(=O)[O-] S100121 [2,0,0,0,0,0|1,0,1]=4 749 B4R0.1 CCC(=O)[O-] S100122 [2,0,0,0,0,0|1,0,1]=4 750 B4R0.1 CCC(=O)[O-] S346177 [2,0,0,0,0,0|1,0,1]=4 751 B4R0.1 CCC(=O)[O-] Z346699 [2,0,0,0,0,0|1,0,1]=4 752 B4R0.1 CCC(C)Br B109117 [2,0,0,0,0,0|1,0,0]=3 753 B4R0.1 CCC(C)Br B109118 [2,0,0,0,0,0|1,0,0]=3 754 B4R0.1 CCC(C)Cl C109267 [2,0,0,0,0,0|1,0,0]=3 755 B4R0.1 CCC(C)Cl C109268 [2,0,0,0,0,0|1,0,0]=3 756 B4R0.1 CCC(C)I B105795 [2,0,0,0,0,0|1,0,0]=3 757 B4R0.1 CCC(C)N B105239 [2,0,0,0,0,0|1,0,0]=3 758 B4R0.1 CCC(C)N I166970 [2,0,0,0,0,0|1,0,0]=3 759 B4R0.1 CCC(C)N S161321 [2,0,0,0,0,0|1,0,0]=3 760 B4R0.1 CCC(C)O B110360 [2,0,0,0,0,0|0,0,1]=3 761 B4R0.1 CCC(C)O B110361 [2,0,0,0,0,0|0,0,1]=3 762 B4R0.1 CCC(C)O B110362 [2,0,0,0,0,0|0,0,1]=3 763 B4R0.1 CCC(C)O B110365 [2,0,0,0,0,0|0,0,1]=3 764 B4R0.1 CCC(C)O R138264 [2,0,0,0,0,0|0,0,1]=3 765 B4R0.1 CCC(C)O S138824 [2,0,0,0,0,0|0,0,1]=3 766 B4R0.1 CCC(C)S B102330 [2,0,0,0,0,0|0,1,0]=3 767 B4R0.1 CCC(Cl)Cl D469688 [2,0,0,0,0,0|2,0,0]=4 768 B4R0.1 CCS(=O)[O-] S182544 [2,0,0,0,0,0|2,0,0]=4 769 B4R0.1 CC[Si](C)C E194931 [2,0,0,0,0,0|0,1,1]=4 770 B4R0.1 CN(C)C=O D111998 [2,0,0,0,0,0|1,0,0]=3 771 B4R0.1 CN(C)C=O D111999 [2,0,0,0,0,0|1,0,0]=3 772 B4R0.1 CN(C)C=O D112000 [2,0,0,0,0,0|1,0,0]=3 773 B4R0.1 CN(C)C=O D112002 [2,0,0,0,0,0|1,0,0]=3 774 B4R0.1 CN(C)C=O D112003 [2,0,0,0,0,0|1,0,0]=3 775 B4R0.1 CN(C)C=O D112004 [2,0,0,0,0,0|1,0,0]=3 776 B4R0.1 CN(C)C=O D112007 [2,0,0,0,0,0|1,0,0]=3 777 B4R0.1 CN(C)C=O D112008 [2,0,0,0,0,0|1,0,0]=3 778 B4R0.1 CN(C)C=O D112009 [2,0,0,0,0,0|1,0,0]=3 779 B4R0.1 CN(C)C=O D119450 [2,0,0,0,0,0|1,0,0]=3 780 B4R0.1 CN(C)C=O D301788 [2,0,0,0,0,0|1,0,0]=3 781 B4R0.1 CN(C)C=O D639253 [2,0,0,0,0,0|1,0,0]=3 782 B4R0.1 CN(C)C=O N433309 [2,0,0,0,0,0|1,0,0]=3 783 B4R0.1 CN(C)C=S N139246 [2,0,0,0,0,0|1,1,0]=4 784 B4R0.1 CN(C)N=O N396014 [2,0,0,0,0,0|2,0,0]=4 785 B4R0.1 CN(C)N=O N471951 [2,0,0,0,0,0|2,0,0]=4 786 B4R0.1 C[N+](=CCl)C C153896 [2,0,0,0,0,0|2,0,0]=4 787 B4R0.2 C(CBr)CBr D104777 [2,0,0,0,0,0|2,0,0]=4 788 B4R0.2 C(CBr)CBr D104778 [2,0,0,0,0,0|2,0,0]=4 789 B4R0.2 C(CCl)CBr B105780 [2,0,0,0,0,0|2,0,0]=4 790 B4R0.2 C(CCl)CCl D109184 [2,0,0,0,0,0|2,0,0]=4 791 B4R0.2 C(CCl)CCl D109185 [2,0,0,0,0,0|2,0,0]=4 792 B4R0.2 C(CCl)CCl D113099 [2,0,0,0,0,0|2,0,0]=4 793 B4R0.2 C(CCl)CCl D128142 [2,0,0,0,0,0|2,0,0]=4 794 B4R0.2 C(CCl)CCl D140761 [2,0,0,0,0,0|2,0,0]=4 795 B4R0.2 C(CCl)CI C153543 [2,0,0,0,0,0|2,0,0]=4 796 B4R0.2 C(CF)CBr B303518 [2,0,0,0,0,0|2,0,0]=4 797 B4R0.2 C(CF)CI I184641 [2,0,0,0,0,0|2,0,0]=4 798 B4R0.2 C(CI)CI D139104 [2,0,0,0,0,0|2,0,0]=4 799 B4R0.2 C(CN)CBr B106915 [2,0,0,0,0,0|2,0,0]=4 800 B4R0.2 C(CN)CCl C102474 [2,0,0,0,0,0|2,0,0]=4 801 B4R0.2 C(CN)CN B151838 [2,0,0,0,0,0|2,0,0]=4 802 B4R0.2 C(CN)CN D154662 [2,0,0,0,0,0|2,0,0]=4 803 B4R0.2 C(CN)CN D155613 [2,0,0,0,0,0|2,0,0]=4 804 B4R0.2 C(CN)CN D155681 [2,0,0,0,0,0|2,0,0]=4 805 B4R0.2 C(CN)CN P103898 [2,0,0,0,0,0|2,0,0]=4 806 B4R0.2 C(CN)CN P492915 [2,0,0,0,0,0|2,0,0]=4 807 B4R0.2 C(CN)CN P494086 [2,0,0,0,0,0|2,0,0]=4 808 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|1,0,1]=4 809 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|1,0,1]=4 810 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|1,0,1]=4 811 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|1,0,1]=4 812 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|1,1,0]=4 813 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|1,0,0]=3 814 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|1,0,1]=4 815 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|1,0,1]=4 816 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|1,0,1]=4 817 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|1,0,1]=4 818 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|1,0,1]=4 819 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|1,0,1]=4 820 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|1,0,1]=4 821 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|1,0,1]=4 822 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|1,0,1]=4 823 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|1,0,1]=4 824 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|1,1,0]=4 825 B4R0.2 C=CCCBr B106906 [2,0,0,0,0,0|1,0,1]=4 826 B4R0.2 C=CCCCl C405543 [2,0,0,0,0,0|1,0,1]=4 827 B4R0.2 C=CCCN B167997 [2,0,0,0,0,0|1,0,1]=4 828 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|1,0,1]=4 829 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|0,0,2]=4 830 B4R0.2 CCC=C=C P160269 [2,0,0,0,0,0|0,0,2]=4 831 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,0]=2 832 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,0]=2 833 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,0]=2 834 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,0]=3 835 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,0]=3 836 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,0]=3 837 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,0]=3 838 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,0]=3 839 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,0]=3 840 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,0]=3 841 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,0]=3 842 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,0]=3 843 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,0]=3 844 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,0]=3 845 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,0]=3 846 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,0]=3 847 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,0]=3 848 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,0]=3 849 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,0]=3 850 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,0]=3 851 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,0]=3 852 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,0]=3 853 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,0]=3 854 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,0]=3 855 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,0]=3 856 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|0,0,1]=3 857 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|0,0,1]=3 858 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|0,0,1]=3 859 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|0,0,1]=3 860 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|0,0,1]=3 861 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|0,0,1]=3 862 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|0,0,1]=3 863 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|0,0,1]=3 864 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|0,0,1]=3 865 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|0,0,1]=3 866 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|0,0,1]=3 867 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|0,0,1]=3 868 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|0,0,1]=3 869 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|0,0,1]=3 870 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|0,1,0]=3 871 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|0,1,0]=3 872 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|0,0,1]=3 873 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|0,0,1]=3 874 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|0,0,1]=3 875 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|0,0,1]=3 876 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|0,0,1]=3 877 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|0,0,1]=3 878 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|0,0,1]=3 879 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|0,0,1]=3 880 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 881 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|1,0,0]=3 882 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|1,0,0]=3 883 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|1,0,0]=3 884 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|1,0,0]=3 885 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|1,0,0]=3 886 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|1,0,0]=3 887 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|1,0,0]=3 888 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|1,0,0]=3 889 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|1,0,0]=3 890 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|1,0,0]=3 891 B4R0.2 CCOC=C P475896 [2,0,0,0,0,0|1,0,1]=4 892 B4R0.2 CCOC=O E110412 [2,0,0,0,0,0|1,0,0]=3 893 B4R0.2 CCOC=O E110414 [2,0,0,0,0,0|1,0,0]=3 894 B4R0.2 CCOC=O E110415 [2,0,0,0,0,0|1,0,0]=3 895 B4R0.2 CCOC=O E110417 [2,0,0,0,0,0|1,0,0]=3 896 B4R0.2 CCOC=O E139940 [2,0,0,0,0,0|1,0,0]=3 897 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,0]=3 898 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,0]=3 899 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,0]=3 900 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,0]=3 901 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,0]=3 902 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,0]=3 903 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,0]=3 904 B4R0.2 CCOCCl C137178 [2,0,0,0,0,0|2,0,0]=4 905 B4R0.2 CCSC=C E156347 [2,0,0,0,0,0|1,0,1]=4 906 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,0]=3 907 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,0]=3 908 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|1,0,0]=3 909 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|0,1,0]=3 910 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|1,0,1]=4 911 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|2,0,0]=4 912 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|2,0,0]=4 913 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|2,0,0]=4 914 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|1,0,1]=4 915 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|1,0,1]=4 916 B4R0.2 COCC=C A135232 [2,0,0,0,0,0|1,0,1]=4 917 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|2,0,0]=4 918 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|2,0,0]=4 919 B4R0.2 COCCN M138018 [2,0,0,0,0,0|2,0,0]=4 920 B4R0.2 COCCN M404735 [2,0,0,0,0,0|2,0,0]=4 921 B4R0.2 COCCN M493557 [2,0,0,0,0,0|2,0,0]=4 922 B4R0.2 COCCO M102852 [2,0,0,0,0,0|1,0,1]=4 923 B4R0.2 COCCO M102853 [2,0,0,0,0,0|1,0,1]=4 924 B4R0.2 COCCO M102854 [2,0,0,0,0,0|1,0,1]=4 925 B4R0.2 COCCO M102855 [2,0,0,0,0,0|1,0,1]=4 926 B4R0.2 COCCO M102856 [2,0,0,0,0,0|1,0,1]=4 927 B4R0.2 COCCO M102857 [2,0,0,0,0,0|1,0,1]=4 928 B4R0.2 COCCO M102858 [2,0,0,0,0,0|1,0,1]=4 929 B4R0.2 COCCO M119725 [2,0,0,0,0,0|1,0,1]=4 930 B4R0.2 COCOC D101433 [2,0,0,0,0,0|2,0,0]=4 931 B4R0.2 COCOC D101436 [2,0,0,0,0,0|2,0,0]=4 932 B4R0.2 COCOC F431409 [2,0,0,0,0,0|2,0,0]=4 933 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|1,0,1]=4 934 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|2,0,0]=4 935 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|2,0,0]=4 936 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|2,0,0]=4 937 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|1,0,1]=4 938 B4R0.2 CSCSC B140648 [2,0,0,0,0,0|2,0,0]=4 939 B6R0.2 CC(=O)CC(=O)C A110366 [1,1,0,0,0,0|0,0,2]=4 940 B6R0.2 CC(=O)CC(=O)C A110367 [1,1,0,0,0,0|0,0,2]=4 941 B6R0.2 CC(=O)CC(=O)C A110370 [1,1,0,0,0,0|0,0,2]=4 942 B6R0.2 CC(=O)CN(C)C D167514 [1,1,0,0,0,0|1,0,1]=4 943 B6R0.2 CC(C)CC(=O)C M108736 [1,1,0,0,0,0|0,0,1]=3 944 B6R0.2 CC(C)CC(=O)C M108737 [1,1,0,0,0,0|0,0,1]=3 945 B6R0.2 CC(C)CC(=O)C M108738 [1,1,0,0,0,0|0,0,1]=3 946 B6R0.2 CC(C)CC(=O)C M108740 [1,1,0,0,0,0|0,0,1]=3 947 B6R0.2 CC(C)CC(=O)C M108741 [1,1,0,0,0,0|0,0,1]=3 948 B6R0.2 CC(C)CC(=O)C M492092 [1,1,0,0,0,0|0,0,1]=3 949 B6R0.2 CC(C)CC(=O)Cl I157679 [1,1,0,0,0,0|1,0,1]=4 950 B6R0.2 CC(C)CC(=O)O I108280 [1,1,0,0,0,0|1,0,1]=4 951 B6R0.2 CC(C)CC(=O)O I108281 [1,1,0,0,0,0|1,0,1]=4 952 B6R0.2 CC(C)CC(=O)O I424338 [1,1,0,0,0,0|1,0,1]=4 953 B6R0.2 CC(C)CC(=O)O I432771 [1,1,0,0,0,0|1,0,1]=4 954 B6R0.2 CC(C)CC(C)C D155236 [1,1,0,0,0,0|0,0,1]=3 955 B6R0.2 CC(C)CC(C)N D154510 [1,1,0,0,0,0|0,0,1]=3 956 B6R0.2 CC(C)CC(C)O M104491 [1,1,0,0,0,0|0,0,1]=3 957 B6R0.2 CC(C)NC(=O)C N586389 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.2 CC(C)NC(C)C D108297 [1,1,0,0,0,0|1,0,1]=4 959 B6R0.2 CC(C)NC(C)C D108298 [1,1,0,0,0,0|1,0,1]=4 960 B6R0.2 CC(C)NC(C)C D108299 [1,1,0,0,0,0|1,0,1]=4 961 B6R0.2 CC(C)NC(C)C D108300 [1,1,0,0,0,0|1,0,1]=4 962 B6R0.2 CC(C)NC(C)C D108301 [1,1,0,0,0,0|1,0,1]=4 963 B6R0.2 CC(C)NC(C)C D135665 [1,1,0,0,0,0|1,0,1]=4 964 B6R0.2 CC(C)NC(C)C D154669 [1,1,0,0,0,0|1,0,1]=4 965 B6R0.2 CC(C)NC(C)C D399268 [1,1,0,0,0,0|1,0,1]=4 966 B6R0.2 CC(C)NC(C)C D404340 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.2 CC(C)NC(C)C D494183 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.2 CC(C)OC(=O)C I103453 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.2 CC(C)OC(=O)C I103454 [1,1,0,0,0,0|1,0,1]=4 970 B6R0.2 CC(C)OC(=O)C I103455 [1,1,0,0,0,0|1,0,1]=4 971 B6R0.2 CC(C)OC(C)C I110454 [1,1,0,0,0,0|1,0,1]=4 972 B6R0.2 CC(C)OC(C)C I110455 [1,1,0,0,0,0|1,0,1]=4 973 B6R0.2 CC(C)OC(C)C I110457 [1,1,0,0,0,0|1,0,1]=4 974 B6R0.2 CC(C)OC(C)C I110458 [1,1,0,0,0,0|1,0,1]=4 975 B6R0.2 CC(C)OC(C)C I119694 [1,1,0,0,0,0|1,0,1]=4 976 B6R0.2 CC(C)SC(C)C I157604 [1,1,0,0,0,0|1,0,1]=4 977 B6R0.2 CC(CC(=O)O)Br B169132 [1,1,0,0,0,0|1,0,1]=4 978 B6R0.2 CC(CC(=O)O)Cl C153466 [1,1,0,0,0,0|1,0,1]=4 979 B6R0.2 CC(CC(=O)O)N A100948 [1,1,0,0,0,0|1,0,1]=4 980 B6R0.2 CC(CC(=O)O)N H117041 [1,1,0,0,0,0|1,0,1]=4 981 B6R0.2 CC(CC(=O)O)N R184127 [1,1,0,0,0,0|1,0,1]=4 982 B6R0.2 CC(CC(=O)O)N S193074 [1,1,0,0,0,0|1,0,1]=4 983 B6R0.2 CC(CC(=O)O)O P347707 [1,1,0,0,0,0|1,0,1]=4 984 B6R0.2 CC(CC(=O)O)O R304188 [1,1,0,0,0,0|1,0,1]=4 985 B6R0.2 CC(CC(=O)O)O R425172 [1,1,0,0,0,0|1,0,1]=4 986 B6R0.2 CC(CC(=O)O)O S161108 [1,1,0,0,0,0|1,0,1]=4 987 B6R0.2 CC(CC(=O)O)O S194215 [1,1,0,0,0,0|1,0,1]=4 988 B6R0.2 CC(CC(=O)[O-])O B301134 [1,1,0,0,0,0|1,0,1]=4 989 B6R0.2 CC(CC(=O)[O-])O H121822 [1,1,0,0,0,0|1,0,1]=4 990 B6R0.2 CC(CC(=O)[O-])O X131756 [1,1,0,0,0,0|1,0,1]=4 991 B6R0.2 CC(CC(C)Br)Br D155303 [1,1,0,0,0,0|1,0,0]=3 992 B6R0.2 CC(CC(C)O)O R160958 [1,1,0,0,0,0|0,0,1]=3 993 B6R0.2 CC(CC(C)O)O S161001 [1,1,0,0,0,0|0,0,1]=3 994 B6R0.2 CC(CN(C)C)Cl C153815 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.2 CC(CN(C)C)O B282542 [1,1,0,0,0,0|1,0,1]=4 996 B6R0.2 CC(CN(C)C)O D155704 [1,1,0,0,0,0|1,0,1]=4 997 B6R0.2 CC(OC(=O)C)Br B303662 [1,1,0,0,0,0|1,0,1]=4 998 B6R0.3 CC(C(CO)N)O S134976 [1,1,0,0,0,0|1,0,1]=4 999 B6R0.3 CC(C(CO)N)O T117147 [1,1,0,0,0,0|1,0,1]=4 1000 B6R0.3 CC(C(CO)O)O B152043 [1,1,0,0,0,0|1,0,1]=4 1001 B6R0.3 CC(C)C(CO)N S160983 [1,1,0,0,0,0|1,0,1]=4 1002 B6R0.3 CC(C)C(CO)N V117153 [1,1,0,0,0,0|1,0,1]=4 1003 B6R0.3 CC(C)C(CO)N V118431 [1,1,0,0,0,0|1,0,1]=4 1004 B6R0.3 CCC(=O)C(=O)C P106293 [1,1,0,0,0,0|0,0,2]=4 1005 B6R0.3 CCC(=O)C(C)C M158840 [1,1,0,0,0,0|0,0,2]=4 1006 B6R0.3 CCC(C(=O)Br)Br B135808 [1,1,0,0,0,0|1,0,1]=4 1007 B6R0.3 CCC(C(=O)C)S M102973 [1,1,0,0,0,0|0,0,1]=3 1008 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,1,0,0,0,0|1,0,1]=4 1009 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,1,0,0,0,0|1,0,1]=4 1010 B6R0.3 CCC(C(=O)N)Cl B301389 [1,1,0,0,0,0|1,0,1]=4 1011 B6R0.3 CCC(C(=O)N)N A119770 [1,1,0,0,0,0|1,0,1]=4 1012 B6R0.3 CCC(C(=O)N)N A124384 [1,1,0,0,0,0|1,0,1]=4 1013 B6R0.3 CCC(C(=O)O)Br B108037 [1,1,0,0,0,0|1,0,1]=4 1014 B6R0.3 CCC(C(=O)O)Cl C153465 [1,1,0,0,0,0|1,0,1]=4 1015 B6R0.3 CCC(C(=O)O)Cl S161173 [1,1,0,0,0,0|1,0,1]=4 1016 B6R0.3 CCC(C(=O)O)N A109788 [1,1,0,0,0,0|1,0,1]=4 1017 B6R0.3 CCC(C(=O)O)N A111241 [1,1,0,0,0,0|1,0,1]=4 1018 B6R0.3 CCC(C(=O)O)N A111260 [1,1,0,0,0,0|1,0,1]=4 1019 B6R0.3 CCC(C(=O)O)N A414642 [1,1,0,0,0,0|1,0,1]=4 1020 B6R0.3 CCC(C(=O)O)N D422924 [1,1,0,0,0,0|1,0,1]=4 1021 B6R0.3 CCC(C(=O)O)O D298806 [1,1,0,0,0,0|1,0,1]=4 1022 B6R0.3 CCC(C(=O)O)O S192800 [1,1,0,0,0,0|1,0,1]=4 1023 B6R0.3 CCC(C(=O)[O-])O H101414 [1,1,0,0,0,0|1,0,1]=4 1024 B6R0.3 CCC(C(C)C)O M304012 [1,1,0,0,0,0|0,0,1]=3 1025 B6R0.3 CCC(C)C(=O)C M158800 [1,1,0,0,0,0|0,0,1]=3 1026 B6R0.3 CCC(C)C(=O)O I167890 [1,1,0,0,0,0|1,0,1]=4 1027 B6R0.3 CCC(C)C(=O)O M107377 [1,1,0,0,0,0|1,0,1]=4 1028 B6R0.3 CCC(C)C(C)C D155235 [1,1,0,0,0,0|0,0,1]=3 1029 B6R0.3 CCC(C)C(C)C D465563 [1,1,0,0,0,0|0,0,1]=3 1030 B6R0.3 CCN(C)C(=O)C N193140 [1,1,0,0,0,0|1,0,1]=4 1031 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,1,0,0,0,0|1,0,1]=4 1032 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,1,0,0,0,0|1,0,1]=4 1033 B6R0.4 C(CC(=O)N)CCl C168978 [1,1,0,0,0,0|1,0,1]=4 1034 B6R0.4 C(CC(=O)O)CBr B106907 [1,1,0,0,0,0|1,0,1]=4 1035 B6R0.4 C(CC(=O)O)CCl C134513 [1,1,0,0,0,0|1,0,1]=4 1036 B6R0.4 C(CC(=O)O)CN A104200 [1,1,0,0,0,0|1,0,1]=4 1037 B6R0.4 C(CC(=O)O)CN A293557 [1,1,0,0,0,0|1,0,1]=4 1038 B6R0.4 C(CC(=O)O)CN A424756 [1,1,0,0,0,0|1,0,1]=4 1039 B6R0.4 C(CC(=O)O)CN A468499 [1,1,0,0,0,0|1,0,1]=4 1040 B6R0.4 C(CC(=O)O)CN A472038 [1,1,0,0,0,0|1,0,1]=4 1041 B6R0.4 C(CC(=O)O)CN G276591 [1,1,0,0,0,0|1,0,1]=4 1042 B6R0.4 C(CN)C[P+](=O)O A275461 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.4 C(C[N+](=O)[O-])CO N164462 [1,1,0,0,0,0|2,0,0]=4 1044 B6R0.4 CC(=O)CCC=C H113634 [1,1,0,0,0,0|0,0,2]=4 1045 B6R0.4 CC(=O)CCCBr B345087 [1,1,0,0,0,0|0,0,1]=3 1046 B6R0.4 CC(=O)CCCCl C108070 [1,1,0,0,0,0|0,0,1]=3 1047 B6R0.4 CC(=O)CCSC M135087 [1,1,0,0,0,0|0,0,1]=3 1048 B6R0.4 CC(=O)NCCN A117219 [1,1,0,0,0,0|1,0,1]=4 1049 B6R0.4 CC(=O)NCCO A112970 [1,1,0,0,0,0|1,0,1]=4 1050 B6R0.4 CC(=O)NCCO A112971 [1,1,0,0,0,0|1,0,1]=4 1051 B6R0.4 CC(=O)NCCS N347842 [1,1,0,0,0,0|1,0,1]=4 1052 B6R0.4 CC(=O)OCCBr B102635 [1,1,0,0,0,0|1,0,1]=4 1053 B6R0.4 CC(=O)OCCCl A140396 [1,1,0,0,0,0|1,0,1]=4 1054 B6R0.4 CC(=O)OCCN A588049 [1,1,0,0,0,0|1,0,1]=4 1055 B6R0.4 CC(=O)OCCO H156959 [1,1,0,0,0,0|1,0,1]=4 1056 B6R0.4 CC(=O)SCCN T340735 [1,1,0,0,0,0|1,0,1]=4 1057 B6R0.4 CC(C)CCC#N I157667 [1,1,0,0,0,0|0,0,2]=4 1058 B6R0.4 CC(C)CCC=O M586390 [1,1,0,0,0,0|0,0,2]=4 1059 B6R0.4 CC(C)CCCBr B152440 [1,1,0,0,0,0|0,0,1]=3 1060 B6R0.4 CC(C)CCCO I136441 [1,1,0,0,0,0|0,0,1]=3 1061 B6R0.4 CC(C)NCCN N159348 [1,1,0,0,0,0|1,0,1]=4 1062 B6R0.4 CC(C)NCCO I157482 [1,1,0,0,0,0|1,0,1]=4 1063 B6R0.4 CC(C)NCCO I431393 [1,1,0,0,0,0|1,0,1]=4 1064 B6R0.4 CC(C)OCCO I106814 [1,1,0,0,0,0|1,0,1]=4 1065 B6R0.4 CC(CCCBr)Br D155307 [1,1,0,0,0,0|1,0,0]=3 1066 B6R0.4 CC(CCCO)O P171240 [1,1,0,0,0,0|0,0,1]=3 1067 B6R0.4 CCCCC(=O)Br V162931 [1,1,0,0,0,0|1,0,1]=4 1068 B6R0.4 CCCCC(=O)C H105743 [1,1,0,0,0,0|0,0,1]=3 1069 B6R0.4 CCCCC(=O)C H105744 [1,1,0,0,0,0|0,0,1]=3 1070 B6R0.4 CCCCC(=O)C H111491 [1,1,0,0,0,0|0,0,1]=3 1071 B6R0.4 CCCCC(=O)C H141140 [1,1,0,0,0,0|0,0,1]=3 1072 B6R0.4 CCCCC(=O)Cl V107241 [1,1,0,0,0,0|1,0,1]=4 1073 B6R0.4 CCCCC(=O)N V162967 [1,1,0,0,0,0|1,0,1]=4 1074 B6R0.4 CCCCC(=O)O V108269 [1,1,0,0,0,0|1,0,1]=4 1075 B6R0.4 CCCCC(=O)O V108270 [1,1,0,0,0,0|1,0,1]=4 1076 B6R0.4 CCCCC(=O)O V108271 [1,1,0,0,0,0|1,0,1]=4 1077 B6R0.4 CCCCC(=O)O V108272 [1,1,0,0,0,0|1,0,1]=4 1078 B6R0.4 CCCCC(=O)O V302252 [1,1,0,0,0,0|1,0,1]=4 1079 B6R0.4 CCCCC(=O)[O-] S194180 [1,1,0,0,0,0|1,0,1]=4 1080 B6R0.4 CCCCC(C)C M158516 [1,1,0,0,0,0|0,0,1]=3 1081 B6R0.4 CCCCC(C)Cl C153661 [1,1,0,0,0,0|1,0,0]=3 1082 B6R0.4 CCCCC(C)N B301374 [1,1,0,0,0,0|1,0,0]=3 1083 B6R0.4 CCCCC(C)O H105565 [1,1,0,0,0,0|0,0,1]=3 1084 B6R0.4 CCCCC(C)O I170762 [1,1,0,0,0,0|0,0,1]=3 1085 B6R0.4 CCCCC(C)O R588494 [1,1,0,0,0,0|0,0,1]=3 1086 B6R0.4 CCCCN(C)C D108036 [1,1,0,0,0,0|1,0,1]=4 1087 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,1,0,0,0,0|2,0,0]=4 1088 B6R0.4 CCCC[Sn](=O)O M107696 [1,1,0,0,0,0|2,0,0]=4 1089 B6R0.4 CCCNC(=O)N P589707 [1,1,0,0,0,0|1,0,1]=4 1090 B6R0.4 CCCOC(=O)C P103882 [1,1,0,0,0,0|0,0,1]=3 1091 B6R0.4 CCCOC(=O)C P103883 [1,1,0,0,0,0|0,0,1]=3 1092 B6R0.4 CCCOC(=O)N P194271 [1,1,0,0,0,0|1,0,1]=4 1093 B6R0.4 CCCSC(=O)C S161333 [1,1,0,0,0,0|0,0,1]=3 1094 B6R0.4 CCCSC(C)C I157608 [1,1,0,0,0,0|0,0,1]=3 1095 B6R0.4 CCNCC(=O)O N159193 [1,1,0,0,0,0|1,0,1]=4 1096 B6R0.4 CCOCC(=O)Cl E293992 [1,1,0,0,0,0|1,0,1]=4 1097 B6R0.4 CCOCC(=O)O E156174 [1,1,0,0,0,0|1,0,1]=4 1098 B6R0.4 CCOCC(C)O E110143 [1,1,0,0,0,0|0,0,1]=3 1099 B6R0.4 CCSCC(=O)O E300419 [1,1,0,0,0,0|1,0,1]=4 1100 B6R0.4 CN(C)CCCBr B194072 [1,1,0,0,0,0|1,0,1]=4 1101 B6R0.4 CN(C)CCCCl C353600 [1,1,0,0,0,0|1,0,1]=4 1102 B6R0.4 CN(C)CCCCl D154697 [1,1,0,0,0,0|1,0,1]=4 1103 B6R0.4 CN(C)CCCN D110909 [1,1,0,0,0,0|1,0,1]=4 1104 B6R0.4 CN(C)CCCN N493682 [1,1,0,0,0,0|1,0,1]=4 1105 B6R0.4 CN(C)CCCN N494190 [1,1,0,0,0,0|1,0,1]=4 1106 B6R0.4 CN(C)CCCO D106344 [1,1,0,0,0,0|1,0,1]=4 1107 B6R0.4 CNCCC(=O)O M183299 [1,1,0,0,0,0|1,0,1]=4 1108 B6R0.4 CNCCN(C)C N159374 [1,1,0,0,0,0|1,0,1]=4 1109 B6R0.4 CNCCN(C)C N192745 [1,1,0,0,0,0|1,0,1]=4 1110 B6R0.4 COCCC(=O)O M169065 [1,1,0,0,0,0|1,0,1]=4 1111 B6R0.4 CSCCC(=O)Cl M158416 [1,1,0,0,0,0|1,0,1]=4 1112 B6R0.4 CSCCC(=O)O M158072 [1,1,0,0,0,0|1,0,1]=4 1113 B6R0.5 CC(C)(C)CCBr B405387 [1,1,0,0,0,0|1,0,1]=4 1114 B6R0.5 CC(C)(C)CCN D468789 [1,1,0,0,0,0|1,0,1]=4 1115 B6R0.5 CC(C)(C)CCO D139098 [1,1,0,0,0,0|1,0,1]=4 1116 B6R0.5 CC(C)(CCN)O A483316 [1,1,0,0,0,0|1,0,1]=4 1117 B6R0.5 CC(C)(CCO)O M106425 [1,1,0,0,0,0|1,0,1]=4 1118 B6R0.5 CC(C)(CCO)S M138699 [1,1,0,0,0,0|1,0,1]=4 1119 B6R0.5 CC(C)(CSC)N M588894 [1,1,0,0,0,0|1,0,1]=4 1120 B6R0.5 CCCC(C)(C)C D106287 [1,1,0,0,0,0|0,0,1]=3 1121 B6R0.5 CCCS(=O)(=O)Cl P137934 [1,1,0,0,0,0|2,0,0]=4 1122 B6R0.5 CCCS(=O)(=O)O P477137 [1,1,0,0,0,0|2,0,0]=4 1123 B6R0.5 CCCS(=O)(=O)[O-] S120540 [1,1,0,0,0,0|2,0,0]=4 1124 B6R0.5 CCCS(=O)(=O)[O-] S161104 [1,1,0,0,0,0|2,0,0]=4 1125 B6R0.5 CCCS(=O)(=O)[O-] S432583 [1,1,0,0,0,0|2,0,0]=4 1126 B6R0.5 CCC[N+](C)(C)C T162053 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.5 CCC[Si](C)(C)Cl C153294 [1,1,0,0,0,0|0,1,1]=4 1128 B6R0.5 CCC[Si](C)(Cl)Cl D349601 [1,1,0,0,0,0|1,1,0]=4 1129 B6R0.5 CCOC(C)(C)C B108911 [1,1,0,0,0,0|1,0,1]=4 1130 B6R0.5 CCOC(C)(C)C B108912 [1,1,0,0,0,0|1,0,1]=4 1131 B6R0.5 CCOS(=O)(=O)C E103933 [1,1,0,0,0,0|2,0,0]=4 1132 B6R0.5 CS(=O)(=O)CCBr B587566 [1,1,0,0,0,0|2,0,0]=4 1133 B6R0.5 CS(=O)(=O)CCN A130035 [1,1,0,0,0,0|2,0,0]=4 1134 B6R0.5 CS(=O)(=O)CCN M589262 [1,1,0,0,0,0|2,0,0]=4 1135 B6R0.5 CS(=O)(=O)CCO H157188 [1,1,0,0,0,0|2,0,0]=4 1136 B6R0.6 C#CCCCCCl C154119 [1,1,0,0,0,0|1,0,1]=4 1137 B6R0.6 C#CCCCCI I168988 [1,1,0,0,0,0|1,0,1]=4 1138 B6R0.6 C#CCCCCN H586162 [1,1,0,0,0,0|1,0,1]=4 1139 B6R0.6 C#CCCCCO H107735 [1,1,0,0,0,0|1,0,1]=4 1140 B6R0.6 C(CC=O)CC=O G105905 [1,1,0,0,0,0|0,0,1]=3 1141 B6R0.6 C(CC=O)CC=O G105906 [1,1,0,0,0,0|0,0,1]=3 1142 B6R0.6 C(CC=O)CC=O G105907 [1,1,0,0,0,0|0,0,1]=3 1143 B6R0.6 C(CC=O)CC=O G105908 [1,1,0,0,0,0|0,0,1]=3 1144 B6R0.6 C(CC=O)CC=O G359127 [1,1,0,0,0,0|0,0,1]=3 1145 B6R0.6 C(CC=O)CC=O G598815 [1,1,0,0,0,0|0,0,1]=3 1146 B6R0.6 C(CC=O)CC=O G639768 [1,1,0,0,0,0|0,0,1]=3 1147 B6R0.6 C(CCBr)CC#N B124218 [1,1,0,0,0,0|1,0,1]=4 1148 B6R0.6 C(CCBr)CCBr D106538 [1,1,0,0,0,0|1,0,1]=4 1149 B6R0.6 C(CCCl)CC#N C153827 [1,1,0,0,0,0|1,0,1]=4 1150 B6R0.6 C(CCCl)CCBr B109691 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.6 C(CCCl)CCCl D105687 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.6 C(CCF)CCBr B303673 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.6 C(CCI)CCI D155300 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.6 C(CCN)CCN D111805 [1,1,0,0,0,0|1,0,1]=4 1155 B6R0.6 C(CCN)CCN D121817 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.6 C(CCN)CCN D283638 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.6 C(CCN)CCN D421724 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.6 C(CCN)CCO A107210 [1,1,0,0,0,0|0,0,2]=4 1159 B6R0.6 C(CCN)CCO A565375 [1,1,0,0,0,0|0,0,2]=4 1160 B6R0.6 C(CCO)CCBr B135090 [1,1,0,0,0,0|0,0,2]=4 1161 B6R0.6 C(CCO)CCCl C153897 [1,1,0,0,0,0|0,0,2]=4 1162 B6R0.6 C(CCO)CCO P105588 [1,1,0,0,0,0|0,0,2]=4 1163 B6R0.6 C(CCS)CCS P102332 [1,1,0,0,0,0|0,1,1]=4 1164 B6R0.6 C(CN=C=O)CCl C107897 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.6 C=CCCCC#N H157042 [1,1,0,0,0,0|1,0,1]=4 1166 B6R0.6 C=CCCCC=C H157269 [1,1,0,0,0,0|1,0,1]=4 1167 B6R0.6 C=CCCCCBr B122541 [1,1,0,0,0,0|1,0,0]=3 1168 B6R0.6 C=CCCCCCl C115790 [1,1,0,0,0,0|1,0,0]=3 1169 B6R0.6 C=CCCCCO H113637 [1,1,0,0,0,0|1,0,0]=3 1170 B6R0.6 C=CCOCCO A303300 [1,1,0,0,0,0|2,0,0]=4 1171 B6R0.6 C=CCOCCO A303301 [1,1,0,0,0,0|2,0,0]=4 1172 B6R0.6 C=CCOCCO E156080 [1,1,0,0,0,0|2,0,0]=4 1173 B6R0.6 CC=CCCCO H300983 [1,1,0,0,0,0|1,0,1]=4 1174 B6R0.6 CCCC=CC=O H107633 [1,1,0,0,0,0|0,0,1]=3 1175 B6R0.6 CCCC=CC=O T425385 [1,1,0,0,0,0|0,0,1]=3 1176 B6R0.6 CCCC=CCO C153482 [1,1,0,0,0,0|0,0,2]=4 1177 B6R0.6 CCCC=CCO H102077 [1,1,0,0,0,0|0,0,2]=4 1178 B6R0.6 CCCCCC#C H100842 [1,1,0,0,0,0|1,0,1]=4 1179 B6R0.6 CCCCCC#N H157040 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.6 CCCCCC=C H110653 [1,1,0,0,0,0|1,0,0]=3 1181 B6R0.6 CCCCCC=C H110654 [1,1,0,0,0,0|1,0,0]=3 1182 B6R0.6 CCCCCC=C H110655 [1,1,0,0,0,0|1,0,0]=3 1183 B6R0.6 CCCCCC=O C109199 [1,1,0,0,0,0|0,0,0]=2 1184 B6R0.6 CCCCCC=O C109200 [1,1,0,0,0,0|0,0,0]=2 1185 B6R0.6 CCCCCCBr B105244 [1,1,0,0,0,0|1,0,1]=4 1186 B6R0.6 CCCCCCBr B471923 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.6 CCCCCCC H108102 [1,1,0,0,0,0|1,0,1]=4 1188 B6R0.6 CCCCCCC H108103 [1,1,0,0,0,0|1,0,1]=4 1189 B6R0.6 CCCCCCC H108105 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.6 CCCCCCC H108108 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.6 CCCCCCC H108111 [1,1,0,0,0,0|1,0,1]=4 1192 B6R0.6 CCCCCCC H108112 [1,1,0,0,0,0|1,0,1]=4 1193 B6R0.6 CCCCCCC H118382 [1,1,0,0,0,0|1,0,1]=4 1194 B6R0.6 CCCCCCC H119701 [1,1,0,0,0,0|1,0,1]=4 1195 B6R0.6 CCCCCCCl C109280 [1,1,0,0,0,0|1,0,1]=4 1196 B6R0.6 CCCCCCCl C109281 [1,1,0,0,0,0|1,0,1]=4 1197 B6R0.6 CCCCCCI I157578 [1,1,0,0,0,0|1,0,1]=4 1198 B6R0.6 CCCCCCN H105333 [1,1,0,0,0,0|1,0,1]=4 1199 B6R0.6 CCCCCCN H157035 [1,1,0,0,0,0|1,0,1]=4 1200 B6R0.6 CCCCCCN H292813 [1,1,0,0,0,0|1,0,1]=4 1201 B6R0.6 CCCCCCN H491868 [1,1,0,0,0,0|1,0,1]=4 1202 B6R0.6 CCCCCCO H103420 [1,1,0,0,0,0|0,0,2]=4 1203 B6R0.6 CCCCCCO H103421 [1,1,0,0,0,0|0,0,2]=4 1204 B6R0.6 CCCCCCO H103422 [1,1,0,0,0,0|0,0,2]=4 1205 B6R0.6 CCCCCCO H103423 [1,1,0,0,0,0|0,0,2]=4 1206 B6R0.6 CCCCCCO H119678 [1,1,0,0,0,0|0,0,2]=4 1207 B6R0.6 CCCCCCS H100786 [1,1,0,0,0,0|0,1,1]=4 1208 B6R0.6 CCCCCCS H299109 [1,1,0,0,0,0|0,1,1]=4 1209 B6R0.6 CCCCCC[NH3+] H292817 [1,1,0,0,0,0|1,0,1]=4 1210 B6R0.6 CCCCCC[NH3+] H492547 [1,1,0,0,0,0|1,0,1]=4 1211 B6R0.6 CCCCCC[Si] H357381 [1,1,0,0,0,0|1,0,1]=4 1212 B6R0.6 CCCCCNC M124210 [1,1,0,0,0,0|1,0,1]=4 1213 B6R0.6 CCCCCSC A151354 [1,1,0,0,0,0|0,1,1]=4 1214 B6R0.6 CCCCN=C=S B111865 [1,1,0,0,0,0|0,1,1]=4 1215 B6R0.6 CCCCNCC N158928 [1,1,0,0,0,0|1,0,1]=4 1216 B6R0.6 CCCCOC=C B123186 [1,1,0,0,0,0|1,0,0]=3 1217 B6R0.6 CCCCOC=C B123187 [1,1,0,0,0,0|1,0,0]=3 1218 B6R0.6 CCCCOC=O B109260 [1,1,0,0,0,0|0,0,0]=2 1219 B6R0.6 CCCCOC=O B109261 [1,1,0,0,0,0|0,0,0]=2 1220 B6R0.6 CCCCON=O B134686 [1,1,0,0,0,0|1,0,0]=3 1221 B6R0.6 CCCCSCC B152507 [1,1,0,0,0,0|1,0,1]=4 1222 B6R0.6 CCCNCCC D100329 [1,1,0,0,0,0|1,0,1]=4 1223 B6R0.6 CCCNCCC D100330 [1,1,0,0,0,0|1,0,1]=4 1224 B6R0.6 CCCNCCC D154684 [1,1,0,0,0,0|1,0,1]=4 1225 B6R0.6 CCCNCCC D404364 [1,1,0,0,0,0|1,0,1]=4 1226 B6R0.6 CCCNCCN N336391 [1,1,0,0,0,0|1,0,1]=4 1227 B6R0.6 CCCOCCC P160596 [1,1,0,0,0,0|1,0,1]=4 1228 B6R0.6 CCCOCCCl C137234 [1,1,0,0,0,0|1,0,1]=4 1229 B6R0.6 CCCOCCN P160362 [1,1,0,0,0,0|1,0,1]=4 1230 B6R0.6 CCCOCCO P107659 [1,1,0,0,0,0|0,0,2]=4 1231 B6R0.6 CCCOCCO P299319 [1,1,0,0,0,0|0,0,2]=4 1232 B6R0.6 CCCSCC=C A135608 [1,1,0,0,0,0|1,0,0]=3 1233 B6R0.6 CCCSCCC D102909 [1,1,0,0,0,0|1,0,1]=4 1234 B6R0.6 CCNCCCO E300231 [1,1,0,0,0,0|0,0,2]=4 1235 B6R0.6 CCOCCC#N E132079 [1,1,0,0,0,0|1,0,1]=4 1236 B6R0.6 CCOCCCN E156297 [1,1,0,0,0,0|1,0,1]=4 1237 B6R0.6 CCOCCCO E108059 [1,1,0,0,0,0|0,0,2]=4 1238 B6R0.6 CCOCCOC E331012 [1,1,0,0,0,0|2,0,0]=4 1239 B6R0.6 CCSCCCO E300079 [1,1,0,0,0,0|0,0,2]=4 1240 B6R0.6 CNCCCCO M193351 [1,1,0,0,0,0|0,0,2]=4 1241 B6R0.6 CNCCCNC D124206 [1,1,0,0,0,0|2,0,0]=4 1242 B6R0.6 COCCCCBr B152834 [1,1,0,0,0,0|1,0,1]=4 1243 B6R0.6 COCCCCO B152046 [1,1,0,0,0,0|0,0,2]=4 1244 B6R0.6 CSCCCCO M468928 [1,1,0,0,0,0|0,0,2]=4 1245 B6R0.8 CC(C)(CO)C=O H304097 [1,1,0,0,0,0|1,0,0]=3 1246 B6R0.8 CCC(C)(C#C)N M165842 [1,1,0,0,0,0|1,0,1]=4 1247 B6R0.8 CCC(C)(C#C)O M106691 [1,1,0,0,0,0|1,0,1]=4 1248 B6R0.8 CCC(C)(C)OC T105930 [1,1,0,0,0,0|2,0,0]=4 1249 B6R0.8 CCC(C)(C)OC T105931 [1,1,0,0,0,0|2,0,0]=4 1250 B6R0.8 CCC(C)(C)OC T485859 [1,1,0,0,0,0|2,0,0]=4 1251 B6R0.8 CCC(C)(CC)Cl C334524 [1,1,0,0,0,0|1,0,1]=4 1252 B6R0.8 CCC(C)(CC)O M102200 [1,1,0,0,0,0|1,0,1]=4 1253 B6R0.9 CCC(=CC)CC E156180 [1,1,0,0,0,0|1,0,1]=4 1254 B6R0.9 CCC(CC)C=O E156502 [1,1,0,0,0,0|0,0,0]=2 1255 B6R0.9 CCC(CC)CBr B152449 [1,1,0,0,0,0|1,0,1]=4 1256 B6R0.9 CCC(CC)CC E156241 [1,1,0,0,0,0|1,0,1]=4 1257 B6R0.9 CCC(CC)CCl C467301 [1,1,0,0,0,0|1,0,1]=4 1258 B6R0.9 CCC(CC)CO E109374 [1,1,0,0,0,0|0,0,2]=4 1259 B6R0.9 CCC(CO)OC M158746 [1,1,0,0,0,0|0,0,2]=4 1260 B6R0.9 CCC(OC)OC P160797 [1,1,0,0,0,0|2,0,0]=4 1261 B6R0.9 CCN(CC)C=O D102964 [1,1,0,0,0,0|1,0,0]=3 1262 B6R0.9 CCN(CC)N=O N109570 [1,1,0,0,0,0|2,0,0]=4 1263 B6R0.9 CCN(CC)N=O N109571 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.9 CCN(CC)N=O N358096 [1,1,0,0,0,0|2,0,0]=4 1265 B6R0.9 CCN(CC)N=O N424700 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.9 COC(C=C)OC A151049 [1,1,0,0,0,0|2,0,0]=4 1267 B6R0.9 COC(C=O)OC D170733 [1,1,0,0,0,0|1,0,0]=3 1268 B8R0.2 C(C(C(C(=O)[O-])O)O)O M195037 [0,2,0,0,0,0|2,0,0]=4 1269 B8R0.2 C(C(C(C(=O)[O-])O)O)O P344339 [0,2,0,0,0,0|2,0,0]=4 1270 B8R0.2 C(C(C(C(=O)[O-])O)O)O T107895 [0,2,0,0,0,0|2,0,0]=4 1271 B8R0.2 CC(C(C(=O)O)N)OC M105982 [0,2,0,0,0,0|2,0,0]=4 1272 B8R0.2 CC(C(C(C=O)O)O)O D350765 [0,2,0,0,0,0|1,0,0]=3 1273 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.2 CCC(C)C(=O)C(=O)[O-] C154025 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.2 CCC(C)C(C(=O)N)N I110996 [0,2,0,0,0,0|1,0,0]=3 1276 B8R0.2 CCC(C)C(C(=O)O)N D465658 [0,2,0,0,0,0|1,0,0]=3 1277 B8R0.2 CCC(C)C(C(=O)O)N I103488 [0,2,0,0,0,0|1,0,0]=3 1278 B8R0.2 CCC(C)C(C(=O)O)N I105431 [0,2,0,0,0,0|1,0,0]=3 1279 B8R0.2 CCC(C)C(C(=O)O)N I113733 [0,2,0,0,0,0|1,0,0]=3 1280 B8R0.2 CCC(C)C(C(=O)O)N I113995 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.2 CCC(C)C(C(=O)O)N I115775 [0,2,0,0,0,0|1,0,0]=3 1282 B8R0.2 CCC(C)C(C(=O)O)N I117745 [0,2,0,0,0,0|1,0,0]=3 1283 B8R0.2 CCC(C)C(C(=O)O)N L425728 [0,2,0,0,0,0|1,0,0]=3 1284 B8R0.2 CCC(C)C(C(=O)O)O H351180 [0,2,0,0,0,0|1,0,0]=3 1285 B8R0.5 CC(COC)OC(=O)C P106790 [0,2,0,0,0,0|1,0,0]=3 1286 B8R0.5 CC(COC)OC(=O)C P299435 [0,2,0,0,0,0|1,0,0]=3 1287 B8R0.5 CCCC(C)CC(=C)C D155264 [0,2,0,0,0,0|1,0,0]=3 1288 B8R0.5 CCCC(C)CC(C)C D155226 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.5 CCCC(C)CC(C)C D414618 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.16 CCC(CC(C)C)CO E586299 [0,2,0,0,0,0|0,0,2]=4 1291 B8R0.19 CCC(C)CC(=O)CC M158857 [0,2,0,0,0,0|1,0,1]=4 1292 B8R0.19 CCC(C)NC(C)CC D108054 [0,2,0,0,0,0|1,0,1]=4 1293 B8R0.19 CCC(C)OC(C)CC B113704 [0,2,0,0,0,0|1,0,1]=4 1294 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [0,2,0,0,0,0|1,0,1]=4 1296 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [0,2,0,0,0,0|1,0,1]=4 1297 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,2,0,0,0,0|1,0,1]=4 1298 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,2,0,0,0,0|1,0,1]=4 1299 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,2,0,0,0,0|1,0,1]=4 1300 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,2,0,0,0,0|1,0,1]=4 1302 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,2,0,0,0,0|1,0,1]=4 1303 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,2,0,0,0,0|1,0,1]=4 1305 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.23 CC(C)CC(=O)C(=O)[O-] C107926 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.23 CC(C)CC(=O)C(=O)[O-] M136620 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.23 CC(C)CC(C(=O)N)N H299483 [0,2,0,0,0,0|1,0,0]=3 1309 B8R0.23 CC(C)CC(C(=O)N)N S161269 [0,2,0,0,0,0|1,0,0]=3 1310 B8R0.23 CC(C)CC(C(=O)N)N S165636 [0,2,0,0,0,0|1,0,0]=3 1311 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,2,0,0,0,0|1,0,0]=3 1312 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,2,0,0,0,0|1,0,0]=3 1313 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,2,0,0,0,0|1,0,0]=3 1314 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,2,0,0,0,0|1,0,0]=3 1315 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,2,0,0,0,0|1,0,0]=3 1316 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,2,0,0,0,0|1,0,0]=3 1317 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,2,0,0,0,0|1,0,0]=3 1318 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,2,0,0,0,0|1,0,0]=3 1322 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,2,0,0,0,0|1,0,0]=3 1323 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,2,0,0,0,0|0,0,1]=3 1324 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,2,0,0,0,0|1,0,1]=4 1325 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,2,0,0,0,0|1,0,1]=4 1326 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.24 CC(CC(C)(C)C)C=C T161801 [0,2,0,0,0,0|1,0,0]=3 1328 B8R0.34 CC(C)CC(C)(C#C)O D123205 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.1 CCCC(C)COC=O M158009 [0,2,0,0,0,0|0,0,0]=2 1330 B8R0.3 C(C=O)C(C(CO)O)O D104784 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.3 C(C=O)C(C(CO)O)O D118253 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.3 C(C=O)C(C(CO)O)O D424566 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.3 C(C=O)C(C(CO)O)O D485294 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.3 CC(COC)C(=O)OC M157985 [0,2,0,0,0,0|1,0,0]=3 1335 B8R0.3 CCCC(=O)C(C)CC M158867 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.3 CCCC(C(=O)NO)N B300173 [0,2,0,0,0,0|1,0,0]=3 1337 B8R0.3 CCCC(C)C(=O)OC B300583 [0,2,0,0,0,0|0,0,0]=2 1338 B8R0.3 CCOC(=O)C(C=O)Cl E183753 [0,2,0,0,0,0|1,0,1]=4 1339 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,2,0,0,0,0|2,0,0]=4 1340 B8R0.6 CCCCCC(C)CC M158522 [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.6 CCCCCC(C=C)O O102968 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.6 CCCCCC(C=C)O S463982 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.6 CCCCCN(C)N=O N347915 [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.8 C(CC(C(=O)O)N)CN L350090 [0,2,0,0,0,0|1,0,0]=3 1345 B8R0.8 C(CC(C(=O)O)N)CN L413185 [0,2,0,0,0,0|1,0,0]=3 1346 B8R0.8 C(CC(C(=O)O)N)CN L423300 [0,2,0,0,0,0|1,0,0]=3 1347 B8R0.8 C(CC(C(=O)O)N)CN L425600 [0,2,0,0,0,0|1,0,0]=3 1348 B8R0.8 C(CC(C(=O)O)N)CN L432617 [0,2,0,0,0,0|1,0,0]=3 1349 B8R0.8 C(CC(C(=O)O)N)CN O101048 [0,2,0,0,0,0|1,0,0]=3 1350 B8R0.8 C(CC(C(=O)O)N)CN O108803 [0,2,0,0,0,0|1,0,0]=3 1351 B8R0.8 C(CC(C(=O)O)N)CN S161189 [0,2,0,0,0,0|1,0,0]=3 1352 B8R0.8 C(CC(C(=O)O)N)CN S161190 [0,2,0,0,0,0|1,0,0]=3 1353 B8R0.8 C(CC(C(=O)O)N)CN S589622 [0,2,0,0,0,0|1,0,0]=3 1354 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,2,0,0,0,0|1,0,1]=4 1355 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,2,0,0,0,0|1,0,1]=4 1356 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,2,0,0,0,0|1,0,0]=3 1357 B8R0.8 CCCCC(C(=O)O)N L485252 [0,2,0,0,0,0|1,0,0]=3 1358 B8R0.8 CCCCC(C(=O)O)N N105991 [0,2,0,0,0,0|1,0,0]=3 1359 B8R0.8 CCCCC(C(=O)O)N N109230 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.8 CCCCC(C(=O)O)N S136235 [0,2,0,0,0,0|1,0,0]=3 1361 B8R0.8 CCCCC(C(=O)O)O H300379 [0,2,0,0,0,0|1,0,0]=3 1362 B8R0.8 CCCCC(C(=O)O)O H425022 [0,2,0,0,0,0|1,0,0]=3 1363 B8R0.8 CCCCC(C)C(=O)O M158388 [0,2,0,0,0,0|0,0,0]=2 1364 B8R0.8 CCCCC(C)C(=O)O M424064 [0,2,0,0,0,0|0,0,0]=2 1365 B8R0.8 CCCCC(C)C(C)C D155224 [0,2,0,0,0,0|1,0,1]=4 1366 B8R0.8 CSCCC(C(=O)N)N S587494 [0,2,0,0,0,0|1,0,0]=3 1367 B8R0.8 CSCCC(C(=O)O)N D423548 [0,2,0,0,0,0|1,0,0]=3 1368 B8R0.8 CSCCC(C(=O)O)N D424961 [0,2,0,0,0,0|1,0,0]=3 1369 B8R0.8 CSCCC(C(=O)O)N L133003 [0,2,0,0,0,0|1,0,0]=3 1370 B8R0.8 CSCCC(C(=O)O)N L425234 [0,2,0,0,0,0|1,0,0]=3 1371 B8R0.8 CSCCC(C(=O)O)N M101130 [0,2,0,0,0,0|1,0,0]=3 1372 B8R0.8 CSCCC(C(=O)O)N M101131 [0,2,0,0,0,0|1,0,0]=3 1373 B8R0.8 CSCCC(C(=O)O)N M104886 [0,2,0,0,0,0|1,0,0]=3 1374 B8R0.8 CSCCC(C(=O)O)N M109223 [0,2,0,0,0,0|1,0,0]=3 1375 B8R0.8 CSCCC(C(=O)O)O H194065 [0,2,0,0,0,0|1,0,0]=3 1376 B8R0.8 CSCCC(C(=O)[O-])O C133719 [0,2,0,0,0,0|1,0,0]=3 1377 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [0,2,0,0,0,0|1,0,0]=3 1378 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [0,2,0,0,0,0|1,0,0]=3 1379 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [0,2,0,0,0,0|1,0,0]=3 1380 B8R0.9 CC(CO)OCC(C)O P103208 [0,2,0,0,0,0|0,0,2]=4 1381 B8R0.9 CC(CO)OCC(C)O P103209 [0,2,0,0,0,0|0,0,2]=4 1382 B8R0.9 CC(CO)OCC(C)O P103210 [0,2,0,0,0,0|0,0,2]=4 1383 B8R0.9 CC(CO)OCC(C)O P103211 [0,2,0,0,0,0|0,0,2]=4 1384 B8R0.9 CC(CO)OCC(C)O P103212 [0,2,0,0,0,0|0,0,2]=4 1385 B8R0.9 CC(CO)OCC(C)O P639154 [0,2,0,0,0,0|0,0,2]=4 1386 B8R0.9 CCC(C)CCC(C)C D155227 [0,2,0,0,0,0|1,0,1]=4 1387 B8R0.9 CN(C)CCN(C)C=O N159309 [0,2,0,0,0,0|1,0,0]=3 1388 B8R0.11 CCCC=C(CC)C=O E156033 [0,2,0,0,0,0|0,0,1]=3 1389 B8R0.11 CCCCC(CC)C=O E156034 [0,2,0,0,0,0|0,0,0]=2 1390 B8R0.11 CCCCC(CC)CBr E110127 [0,2,0,0,0,0|1,0,1]=4 1391 B8R0.11 CCCCC(CC)CCl C102335 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.11 CCCCC(CC)CN E108992 [0,2,0,0,0,0|1,0,1]=4 1393 B8R0.11 CCCCC(CC)CN E133205 [0,2,0,0,0,0|1,0,1]=4 1394 B8R0.11 CCCCC(CC)CN E301663 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.11 CCCCC(CC)CO E101075 [0,2,0,0,0,0|0,0,2]=4 1396 B8R0.11 CCCCC(CC)CO E101076 [0,2,0,0,0,0|0,0,2]=4 1397 B8R0.11 CCCCC(CC)CO E101078 [0,2,0,0,0,0|0,0,2]=4 1398 B8R0.11 CCCCC(CC)CO E101080 [0,2,0,0,0,0|0,0,2]=4 1399 B8R0.11 CCCCC(CC)CS E102329 [0,2,0,0,0,0|0,1,1]=4 1400 B8R0.11 CCCCC(CC)C[O-] T189573 [0,2,0,0,0,0|0,0,2]=4 1401 B8R0.11 COC(CCCCl)OC C133630 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.11 COC(CCCN)OC A132534 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.25 CCCCC(C)(CC)O M303984 [0,2,0,0,0,0|1,0,1]=4 1404 B8R0.12 CC(C)(CC=C)C(=O)O W132414 [0,2,0,0,0,0|0,0,2]=4 1405 B8R0.12 CC(CC=C)(C(=O)O)N R465192 [0,2,0,0,0,0|0,0,2]=4 1406 B8R0.12 CCCC(C)(C)C(=O)O D154848 [0,2,0,0,0,0|0,0,0]=2 1407 B8R0.14 CCCC(C)C(C)(C)O D155908 [0,2,0,0,0,0|0,0,2]=4 1408 B8R0.22 CCCC(CC)CCC E156246 [0,2,0,0,0,0|1,0,1]=4 1409 B8R0.22 CCCC(CCC)C#N P492425 [0,2,0,0,0,0|1,0,1]=4 1410 B8R0.22 CCCC(CCC)CO P337911 [0,2,0,0,0,0|0,0,2]=4 1411 B8R0.22 CCCC(CCO)SC M102904 [0,2,0,0,0,0|0,0,2]=4 1412 B8R0.22 CCCN(CCC)C=O D124598 [0,2,0,0,0,0|1,0,0]=3 1413 B8R0.22 CCCN(CCC)N=O N114392 [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.22 CCCN(CCC)N=O N118829 [0,2,0,0,0,0|2,0,0]=4 1415 B8R0.22 CCOC(C=C)OCC A101997 [0,2,0,0,0,0|2,0,0]=4 1416 B8R0.30 CCCC(C)(CCC)O M157913 [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.13 CC(C)(C=O)C(=O)OC M587124 [0,2,0,0,0,0|1,0,1]=4 1418 B8R0.31 CCCC(C)(CO)CO M136037 [0,2,0,0,0,0|0,0,2]=4 1419 B6R1.2 C1CC(=O)NC1 P112692 [1,0,0,1,0,0|1,0,1]=4 1420 B6R1.2 C1CC(=O)NC1 P468968 [1,0,0,1,0,0|1,0,1]=4 1421 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|1,0,1]=4 1422 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|1,0,1]=4 1423 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|0,0,1]=3 1424 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|0,0,1]=3 1425 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|0,0,1]=3 1426 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|0,0,1]=3 1427 B6R1.2 C1CCC(C1)Br C105791 [1,0,0,1,0,0|1,0,0]=3 1428 B6R1.2 C1CCC(C1)Cl C153546 [1,0,0,1,0,0|1,0,0]=3 1429 B6R1.2 C1CCC(C1)F F156721 [1,0,0,1,0,0|1,0,0]=3 1430 B6R1.2 C1CCC(C1)I I167554 [1,0,0,1,0,0|1,0,0]=3 1431 B6R1.2 C1CCC(C1)N C111427 [1,0,0,1,0,0|1,0,0]=3 1432 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|0,0,1]=3 1433 B6R1.2 C1CCC(C1)S C106982 [1,0,0,1,0,0|0,1,0]=3 1434 B6R1.2 C1CCS(=O)C1 T162808 [1,0,0,1,0,0|1,0,0]=3 1435 B6R1.2 C1CNCC1=O P176320 [1,0,0,1,0,0|1,0,1]=4 1436 B6R1.2 C1CNCC1Br B166798 [1,0,0,1,0,0|2,0,0]=4 1437 B6R1.2 C1CNCC1F I167099 [1,0,0,1,0,0|2,0,0]=4 1438 B6R1.2 C1CNCC1F I167100 [1,0,0,1,0,0|2,0,0]=4 1439 B6R1.2 C1CNCC1N A128215 [1,0,0,1,0,0|2,0,0]=4 1440 B6R1.2 C1CNCC1N R115472 [1,0,0,1,0,0|2,0,0]=4 1441 B6R1.2 C1CNCC1N S115473 [1,0,0,1,0,0|2,0,0]=4 1442 B6R1.2 C1CNCC1O H115463 [1,0,0,1,0,0|1,0,1]=4 1443 B6R1.2 C1CNCC1O H187203 [1,0,0,1,0,0|1,0,1]=4 1444 B6R1.2 C1CNCC1O P121669 [1,0,0,1,0,0|1,0,1]=4 1445 B6R1.2 C1CNCC1O P128587 [1,0,0,1,0,0|1,0,1]=4 1446 B6R1.2 C1CNCC1O S115471 [1,0,0,1,0,0|1,0,1]=4 1447 B6R1.2 C1CNCC1O S161346 [1,0,0,1,0,0|1,0,1]=4 1448 B6R1.2 C1COCC1=O T161567 [1,0,0,1,0,0|1,0,1]=4 1449 B6R1.2 C1COCC1Br B175379 [1,0,0,1,0,0|2,0,0]=4 1450 B6R1.2 C1COCC1I I172597 [1,0,0,1,0,0|2,0,0]=4 1451 B6R1.2 C1COCC1N A120073 [1,0,0,1,0,0|2,0,0]=4 1452 B6R1.2 C1COCC1N I165729 [1,0,0,1,0,0|2,0,0]=4 1453 B6R1.2 C1COCC1N S135580 [1,0,0,1,0,0|2,0,0]=4 1454 B6R1.2 C1COCC1N T123495 [1,0,0,1,0,0|2,0,0]=4 1455 B6R1.2 C1COCC1O H107942 [1,0,0,1,0,0|1,0,1]=4 1456 B6R1.2 C1COCC1O H110275 [1,0,0,1,0,0|1,0,1]=4 1457 B6R1.2 C1COCC1O H119958 [1,0,0,1,0,0|1,0,1]=4 1458 B6R1.2 C1CSCC1=O D106839 [1,0,0,1,0,0|1,0,1]=4 1459 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|0,0,1]=3 1460 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|0,0,1]=3 1461 B6R1.2 CC1=NCCC1 M187405 [1,0,0,1,0,0|1,0,1]=4 1462 B6R1.2 CC1CCCC1 M101586 [1,0,0,1,0,0|0,0,1]=3 1463 B6R1.2 CC1CCCC1 M101587 [1,0,0,1,0,0|0,0,1]=3 1464 B6R1.2 CC1CCCC1 M101588 [1,0,0,1,0,0|0,0,1]=3 1465 B6R1.2 CC1CCCN1 M121645 [1,0,0,1,0,0|1,0,0]=3 1466 B6R1.2 CC1CCCN1 M341863 [1,0,0,1,0,0|1,0,0]=3 1467 B6R1.2 CC1CCCN1 R173510 [1,0,0,1,0,0|1,0,0]=3 1468 B6R1.2 CC1CCCN1 S589595 [1,0,0,1,0,0|1,0,0]=3 1469 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|0,0,1]=3 1470 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|0,0,1]=3 1471 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|0,0,1]=3 1472 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|0,0,1]=3 1473 B6R1.2 CC1CCCS1 M138391 [1,0,0,1,0,0|0,1,0]=3 1474 B6R1.2 CC1CCNC1 S175305 [1,0,0,1,0,0|1,0,1]=4 1475 B6R1.2 CC1CCOC1 M302425 [1,0,0,1,0,0|1,0,1]=4 1476 B6R1.2 CC1COCO1 M158513 [1,0,0,1,0,0|1,0,1]=4 1477 B6R1.2 CC1OCCO1 M157785 [1,0,0,1,0,0|1,0,1]=4 1478 B6R1.2 CN1CCCC1 M109523 [1,0,0,1,0,0|1,0,1]=4 1479 B6R1.3 C1C(O1)CCBr D302399 [1,0,0,1,0,0|1,0,1]=4 1480 B6R1.3 C1CC1CCI I176162 [1,0,0,1,0,0|1,0,1]=4 1481 B6R1.3 CCCC1CO1 E156390 [1,0,0,1,0,0|0,0,1]=3 1482 B6R1.3 COCC1CO1 G156840 [1,0,0,1,0,0|1,0,1]=4 1483 B6R1.3 COCC1CO1 R160880 [1,0,0,1,0,0|1,0,1]=4 1484 B6R1.3 COCC1CO1 S139136 [1,0,0,1,0,0|1,0,1]=4 1485 B6R1.5 C1C(CC1O)N C172673 [1,0,0,1,0,0|1,0,1]=4 1486 B6R1.5 C1C(CC1O)N T172530 [1,0,0,1,0,0|1,0,1]=4 1487 B6R1.5 CC1CC(=O)O1 B152852 [1,0,0,1,0,0|1,0,1]=4 1488 B6R1.5 CN1CC(C1)O H586376 [1,0,0,1,0,0|1,0,1]=4 1489 B6R1.5 CN1CC(C1)O M175942 [1,0,0,1,0,0|1,0,1]=4 1490 B6R1.10 CC1(CCC1)N M174981 [1,0,0,1,0,0|1,0,0]=3 1491 B6R1.10 CC1(CCC1)O M491477 [1,0,0,1,0,0|0,0,1]=3 1492 B6R1.10 CC1(COC1)N M136750 [1,0,0,1,0,0|2,0,0]=4 1493 B6R1.10 CC1(COC1)O M174660 [1,0,0,1,0,0|1,0,1]=4 1494 B6R1.10 C[Si]1(CCC1)C D168803 [1,0,0,1,0,0|0,1,1]=4 1495 B6R1.10 C[Si]1(CCC1)Cl C168869 [1,0,0,1,0,0|1,1,0]=4 1496 B6R1.11 C1CC1C(=O)Cl C133840 [1,0,0,1,0,0|1,0,1]=4 1497 B6R1.11 C1CC1C(=O)N C134392 [1,0,0,1,0,0|1,0,1]=4 1498 B6R1.11 C1CC1C(=O)O C106979 [1,0,0,1,0,0|1,0,1]=4 1499 B6R1.11 CC(=O)C1CC1 C108050 [1,0,0,1,0,0|0,0,1]=3 1500 B6R1.11 CC(C1CC1)N B300122 [1,0,0,1,0,0|1,0,0]=3 1501 B6R1.11 CC(C1CC1)N R587936 [1,0,0,1,0,0|1,0,0]=3 1502 B6R1.11 CC(C1CC1)N S175013 [1,0,0,1,0,0|1,0,0]=3 1503 B6R1.11 CC(C1CC1)O C153900 [1,0,0,1,0,0|0,0,1]=3 1504 B6R1.1 C1CC=COC1 D106433 [1,0,0,1,0,0|0,0,2]=4 1505 B6R1.1 C1CCC=CC1 C112737 [1,0,0,1,0,0|1,0,0]=3 1506 B6R1.1 C1CCC=CC1 C112738 [1,0,0,1,0,0|1,0,0]=3 1507 B6R1.1 C1CCC=CC1 C118621 [1,0,0,1,0,0|1,0,0]=3 1508 B6R1.1 C1CCCCC1 C100583 [1,0,0,1,0,0|1,0,1]=4 1509 B6R1.1 C1CCCCC1 C100584 [1,0,0,1,0,0|1,0,1]=4 1510 B6R1.1 C1CCCCC1 C100585 [1,0,0,1,0,0|1,0,1]=4 1511 B6R1.1 C1CCCCC1 C100586 [1,0,0,1,0,0|1,0,1]=4 1512 B6R1.1 C1CCCCC1 C100587 [1,0,0,1,0,0|1,0,1]=4 1513 B6R1.1 C1CCCCC1 C119462 [1,0,0,1,0,0|1,0,1]=4 1514 B6R1.1 C1CCCCC1 C305176 [1,0,0,1,0,0|1,0,1]=4 1515 B6R1.1 C1CCCCC1 C431457 [1,0,0,1,0,0|1,0,1]=4 1516 B6R1.1 C1CCNCC1 P194173 [1,0,0,1,0,0|1,0,1]=4 1517 B6R1.1 C1CCNCC1 P492785 [1,0,0,1,0,0|1,0,1]=4 1518 B6R1.1 C1CCOCC1 T100998 [1,0,0,1,0,0|0,0,2]=4 1519 B6R1.1 C1CCOCC1 T298966 [1,0,0,1,0,0|0,0,2]=4 1520 B6R1.1 C1CC[NH2+]CC1 P193473 [1,0,0,1,0,0|1,0,1]=4 1521 B6R1.1 C1CNC=NC1 T132007 [1,0,0,1,0,0|2,0,0]=4 1522 B6R1.1 C1CNCC=C1 T168116 [1,0,0,1,0,0|2,0,0]=4 1523 B6R1.6 C1C(CO1)C=O O173275 [1,0,0,1,0,0|1,0,0]=3 1524 B6R1.6 C1CC(C1)C#N C479085 [1,0,0,1,0,0|1,0,1]=4 1525 B6R1.6 C1CC(C1)CBr B119331 [1,0,0,1,0,0|1,0,1]=4 1526 B6R1.6 C1CC(C1)CN C176494 [1,0,0,1,0,0|1,0,1]=4 1527 B6R1.6 C1CC(C1)CN C176749 [1,0,0,1,0,0|1,0,1]=4 1528 B6R1.6 C1CC(C1)CO C120878 [1,0,0,1,0,0|0,0,2]=4 1529 B6R1.7 CC1(CC1)CO M473138 [1,0,0,1,0,0|0,0,2]=4 1530 B6R1.7 CC1(CO1)C=C M115674 [1,0,0,1,0,0|2,0,0]=4 1531 B8R1.1 CN1CCC(C1)CN M173258 [0,1,0,1,0,0|1,0,1]=4 1532 B8R1.1 CN1CCC(C1)CO R172594 [0,1,0,1,0,0|0,0,2]=4 1533 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,1,0,0|1,0,1]=4 1534 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,1,0,1,0,0|1,0,1]=4 1535 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,1,0,1,0,0|1,0,1]=4 1536 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,1,0,1,0,0|1,0,1]=4 1537 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,1,0,1,0,0|1,0,1]=4 1538 B8R1.4 C1CNC(=O)CC1N A174477 [0,1,0,1,0,0|2,0,0]=4 1539 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,1,0,0|2,0,0]=4 1540 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,1,0,1,0,0|0,0,1]=3 1541 B8R1.4 CC1=CC(CCC1)O M168575 [0,1,0,1,0,0|0,0,2]=4 1542 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,1,0,0|1,0,0]=3 1543 B8R1.4 CC1CC(CNC1)C D137845 [0,1,0,1,0,0|1,0,1]=4 1544 B8R1.4 CC1CC(CNC1)C R587256 [0,1,0,1,0,0|1,0,1]=4 1545 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,1,0,0|0,0,0]=2 1546 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,1,0,0|0,0,0]=2 1547 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,1,0,0|0,0,0]=2 1548 B8R1.4 CC1CCCC(C1)C C153348 [0,1,0,1,0,0|1,0,1]=4 1549 B8R1.4 CC1CCCC(C1)C D155810 [0,1,0,1,0,0|1,0,1]=4 1550 B8R1.4 CC1CCCC(C1)N M139174 [0,1,0,1,0,0|1,0,1]=4 1551 B8R1.4 CC1CCCC(C1)O M106721 [0,1,0,1,0,0|0,0,2]=4 1552 B8R1.4 CC1CCCC(N1)C C153870 [0,1,0,1,0,0|1,0,1]=4 1553 B8R1.4 CC1CCCC(N1)C D184826 [0,1,0,1,0,0|1,0,1]=4 1554 B8R1.4 CC1CCOS(=O)O1 M120341 [0,1,0,1,0,0|2,0,0]=4 1555 B8R1.4 CC1COCC(=O)N1 S586561 [0,1,0,1,0,0|1,0,0]=3 1556 B8R1.18 CC1C(=O)C=C(O1)C D102990 [0,1,0,1,0,0|1,0,1]=4 1557 B8R1.18 CC1CC(=O)OC1=O M102626 [0,1,0,1,0,0|1,0,1]=4 1558 B8R1.2 C#CC1CCCCC1 C334521 [0,1,0,1,0,0|1,0,1]=4 1559 B8R1.2 C1CC(CC=C1)C=O C154037 [0,1,0,1,0,0|0,0,1]=3 1560 B8R1.2 C1CC(CNC1)CN A151610 [0,1,0,1,0,0|1,0,1]=4 1561 B8R1.2 C1CC(CNC1)CO P160105 [0,1,0,1,0,0|0,0,2]=4 1562 B8R1.2 C1CC(CNC1)CO S586410 [0,1,0,1,0,0|0,0,2]=4 1563 B8R1.2 C1CC(CNC1)CO S587257 [0,1,0,1,0,0|0,0,2]=4 1564 B8R1.2 C1CC(COC1)CO O174328 [0,1,0,1,0,0|0,0,2]=4 1565 B8R1.2 C1CC(OC=C1)C=O D171613 [0,1,0,1,0,0|0,0,2]=4 1566 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,1,0,0|0,0,1]=3 1567 B8R1.2 C1CCC(CC1)C#N C194969 [0,1,0,1,0,0|1,0,1]=4 1568 B8R1.2 C1CCC(CC1)C=O C109681 [0,1,0,1,0,0|0,0,0]=2 1569 B8R1.2 C1CCC(CC1)CBr B121199 [0,1,0,1,0,0|1,0,1]=4 1570 B8R1.2 C1CCC(CC1)CN C138894 [0,1,0,1,0,0|1,0,1]=4 1571 B8R1.2 C1CCC(CC1)CN C303051 [0,1,0,1,0,0|1,0,1]=4 1572 B8R1.2 C1CCC(CC1)CN C493236 [0,1,0,1,0,0|1,0,1]=4 1573 B8R1.2 C1CCC(CC1)CO C106975 [0,1,0,1,0,0|0,0,2]=4 1574 B8R1.2 C1CCC(CC1)NN C135804 [0,1,0,1,0,0|2,0,0]=4 1575 B8R1.2 C1CCC(CC1)NO I169027 [0,1,0,1,0,0|1,0,1]=4 1576 B8R1.2 C1CCN(CC1)C=O F106773 [0,1,0,1,0,0|1,0,0]=3 1577 B8R1.2 C1CCNC(C1)CN P132846 [0,1,0,1,0,0|1,0,1]=4 1578 B8R1.2 C1CCNC(C1)CO P124723 [0,1,0,1,0,0|0,0,2]=4 1579 B8R1.2 C1CCOC(C1)CBr B169755 [0,1,0,1,0,0|1,0,1]=4 1580 B8R1.2 C1CCOC(C1)CO T161846 [0,1,0,1,0,0|0,0,2]=4 1581 B8R1.2 C1CCOC(C1)ON T102439 [0,1,0,1,0,0|2,0,0]=4 1582 B8R1.2 C1CN(CCN1)C=O F109560 [0,1,0,1,0,0|1,0,0]=3 1583 B8R1.2 C1CN(CCN1)C=O F140420 [0,1,0,1,0,0|1,0,0]=3 1584 B8R1.2 C1CN(CCN1)C=O F165274 [0,1,0,1,0,0|1,0,0]=3 1585 B8R1.2 C1CN(CCN1)C=O F639111 [0,1,0,1,0,0|1,0,0]=3 1586 B8R1.2 C1CNCCC1C#N P175866 [0,1,0,1,0,0|1,0,1]=4 1587 B8R1.2 C1CNCCC1CN A136022 [0,1,0,1,0,0|1,0,1]=4 1588 B8R1.2 C1CNCCC1CO P113833 [0,1,0,1,0,0|0,0,2]=4 1589 B8R1.2 C1COCCC1C#N O176474 [0,1,0,1,0,0|1,0,1]=4 1590 B8R1.2 C1COCCC1C=O F184847 [0,1,0,1,0,0|0,0,0]=2 1591 B8R1.2 C1COCCC1CBr B172996 [0,1,0,1,0,0|1,0,1]=4 1592 B8R1.2 C1COCCC1CN A151618 [0,1,0,1,0,0|1,0,1]=4 1593 B8R1.2 C1COCCC1CN A184237 [0,1,0,1,0,0|1,0,1]=4 1594 B8R1.2 C1COCCC1CO T161848 [0,1,0,1,0,0|0,0,2]=4 1595 B8R1.2 C1COCCN1C=O F111002 [0,1,0,1,0,0|1,0,0]=3 1596 B8R1.2 C1COCCN1N=O N114390 [0,1,0,1,0,0|2,0,0]=4 1597 B8R1.2 C1COCCN1N=O N163026 [0,1,0,1,0,0|2,0,0]=4 1598 B8R1.2 C1CSCCC1C#N T175435 [0,1,0,1,0,0|1,0,1]=4 1599 B8R1.2 C=CC1CCC=CC1 V106228 [0,1,0,1,0,0|1,0,1]=4 1600 B8R1.2 C=CC1CCCCC1 V162939 [0,1,0,1,0,0|1,0,0]=3 1601 B8R1.2 CCC1CCCCC1 E108913 [0,1,0,1,0,0|1,0,1]=4 1602 B8R1.2 CCC1CCCCC1 E108914 [0,1,0,1,0,0|1,0,1]=4 1603 B8R1.2 CCC1CCCCN1 E156420 [0,1,0,1,0,0|1,0,1]=4 1604 B8R1.2 CCC1CCCCN1 S467334 [0,1,0,1,0,0|1,0,1]=4 1605 B8R1.2 CCC1CCNCC1 E169556 [0,1,0,1,0,0|1,0,1]=4 1606 B8R1.2 CNC1CCCCC1 M124516 [0,1,0,1,0,0|1,0,1]=4 1607 B8R1.2 CNC1CCCNC1 M124375 [0,1,0,1,0,0|1,0,1]=4 1608 B8R1.2 COC1CCCCC1 M158042 [0,1,0,1,0,0|1,0,1]=4 1609 B8R1.2 COC1CCCCO1 W196195 [0,1,0,1,0,0|2,0,0]=4 1610 B8R1.2 COC1CCNCC1 M176409 [0,1,0,1,0,0|2,0,0]=4 1611 B8R1.2 COC1CCNCC1 M176410 [0,1,0,1,0,0|2,0,0]=4 1612 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [0,1,0,1,0,0|2,0,0]=4 1613 B8R1.3 CC1CCC(CC1)Br B301345 [0,1,0,1,0,0|1,0,1]=4 1614 B8R1.3 CC1CCC(CC1)C C153597 [0,1,0,1,0,0|1,0,1]=4 1615 B8R1.3 CC1CCC(CC1)C D155234 [0,1,0,1,0,0|1,0,1]=4 1616 B8R1.3 CC1CCC(CC1)C T161837 [0,1,0,1,0,0|1,0,1]=4 1617 B8R1.3 CC1CCC(CC1)N C348902 [0,1,0,1,0,0|1,0,1]=4 1618 B8R1.3 CC1CCC(CC1)N C404679 [0,1,0,1,0,0|1,0,1]=4 1619 B8R1.3 CC1CCC(CC1)N I132581 [0,1,0,1,0,0|1,0,1]=4 1620 B8R1.3 CC1CCC(CC1)N M158849 [0,1,0,1,0,0|1,0,1]=4 1621 B8R1.3 CC1CCC(CC1)N M158850 [0,1,0,1,0,0|1,0,1]=4 1622 B8R1.3 CC1CCC(CC1)O C153285 [0,1,0,1,0,0|1,0,1]=4 1623 B8R1.3 CC1CCC(CC1)O M157776 [0,1,0,1,0,0|1,0,1]=4 1624 B8R1.3 CC1CCC(CC1)O T162592 [0,1,0,1,0,0|1,0,1]=4 1625 B8R1.3 CC1CNC(CN1)C T138605 [0,1,0,1,0,0|1,0,1]=4 1626 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,1,0,1,0,0|1,0,0]=3 1627 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,1,0,1,0,0|1,0,0]=3 1628 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,1,0,1,0,0|1,0,0]=3 1629 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,1,0,1,0,0|1,0,0]=3 1630 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,1,0,1,0,0|1,0,0]=3 1631 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,1,0,0|1,0,0]=3 1632 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,1,0,1,0,0|1,0,1]=4 1633 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,1,0,1,0,0|1,0,0]=3 1634 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,1,0,1,0,0|1,0,0]=3 1635 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,1,0,0|1,0,0]=3 1636 B8R1.5 C1COCC(C1=O)F F176973 [0,1,0,1,0,0|1,0,0]=3 1637 B8R1.5 CC1=NCCCN1C D184491 [0,1,0,1,0,0|2,0,0]=4 1638 B8R1.5 CC1C(=O)NCCN1 M168916 [0,1,0,1,0,0|1,0,0]=3 1639 B8R1.5 CC1C(=O)NCCN1 R195856 [0,1,0,1,0,0|1,0,0]=3 1640 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,1,0,0|0,0,0]=2 1641 B8R1.5 CC1CCCCC1C D155823 [0,1,0,1,0,0|1,0,1]=4 1642 B8R1.5 CC1CCCCC1N M102224 [0,1,0,1,0,0|1,0,1]=4 1643 B8R1.5 CC1CCCCC1O C153331 [0,1,0,1,0,0|0,0,2]=4 1644 B8R1.5 CC1CCCCC1O M157932 [0,1,0,1,0,0|0,0,2]=4 1645 B8R1.5 CC1CNCCC1=O M589544 [0,1,0,1,0,0|0,0,0]=2 1646 B8R1.5 CC1CNCCN1C R176969 [0,1,0,1,0,0|2,0,0]=4 1647 B8R1.5 CN1CCCCC1=O N335945 [0,1,0,1,0,0|1,0,0]=3 1648 B8R1.5 CN1CCCNC1=O M493197 [0,1,0,1,0,0|1,0,0]=3 1649 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,1,0,1,0,0|2,0,0]=4 1650 B8R1.50 CC1C(=O)CCC1=O M136868 [0,1,0,1,0,0|0,0,1]=3 1651 B8R1.50 CC1CCC(=O)C1=O M109224 [0,1,0,1,0,0|0,0,1]=3 1652 B8R1.50 CC1CCC(=O)N1C D467310 [0,1,0,1,0,0|1,0,0]=3 1653 B8R1.50 CN1C(=O)CCC1=O N159128 [0,1,0,1,0,0|1,0,1]=4 1654 B8R1.50 CN1C(CCC1=O)O H351403 [0,1,0,1,0,0|1,0,0]=3 1655 B8R1.50 CN1CCN(C1=O)C D109179 [0,1,0,1,0,0|1,0,0]=3 1656 B8R1.50 CN1CCN(C1=O)C D109180 [0,1,0,1,0,0|1,0,0]=3 1657 B8R1.50 CN1CCN(C1=O)C D131598 [0,1,0,1,0,0|1,0,0]=3 1658 B8R1.50 CN1CC[N+](=C1Cl)C C109317 [0,1,0,1,0,0|2,0,0]=4 1659 B8R1.50 CN1CC[N+](=C1Cl)C C110330 [0,1,0,1,0,0|2,0,0]=4 1660 B8R1.50 CN1CC[N+](=C1Cl)C C117160 [0,1,0,1,0,0|2,0,0]=4 1661 B8R1.50 CN1CC[N+](=C1F)C F100525 [0,1,0,1,0,0|2,0,0]=4 1662 B8R1.52 C1CCC(C1)(CO)N A165541 [0,1,0,1,0,0|0,0,2]=4 1663 B8R1.52 CCC1(CCCC1)O E134299 [0,1,0,1,0,0|1,0,1]=4 1664 B8R1.7 B(C1CCCC1)(O)O C171252 [0,1,0,1,0,0|1,0,1]=4 1665 B8R1.7 C1C(NCS1)C(=O)O T137734 [0,1,0,1,0,0|2,0,0]=4 1666 B8R1.7 C1C(NCS1)C(=O)O T303731 [0,1,0,1,0,0|2,0,0]=4 1667 B8R1.7 C1C(NCS1)C(=O)O T424020 [0,1,0,1,0,0|2,0,0]=4 1668 B8R1.7 C1C=CCC1C(=O)O C153744 [0,1,0,1,0,0|0,0,2]=4 1669 B8R1.7 C1CC(NC1)C(=O)N P105976 [0,1,0,1,0,0|1,0,0]=3 1670 B8R1.7 C1CC(NC1)C(=O)N P121653 [0,1,0,1,0,0|1,0,0]=3 1671 B8R1.7 C1CC(NC1)C(=O)N S136613 [0,1,0,1,0,0|1,0,0]=3 1672 B8R1.7 C1CC(NC1)C(=O)O D423511 [0,1,0,1,0,0|1,0,0]=3 1673 B8R1.7 C1CC(NC1)C(=O)O L421729 [0,1,0,1,0,0|1,0,0]=3 1674 B8R1.7 C1CC(NC1)C(=O)O P105590 [0,1,0,1,0,0|1,0,0]=3 1675 B8R1.7 C1CC(NC1)C(=O)O P108709 [0,1,0,1,0,0|1,0,0]=3 1676 B8R1.7 C1CC(NC1)C(=O)O P111001 [0,1,0,1,0,0|1,0,0]=3 1677 B8R1.7 C1CC(NC1)C(=O)O P120032 [0,1,0,1,0,0|1,0,0]=3 1678 B8R1.7 C1CC(NC1)C(=O)O P140375 [0,1,0,1,0,0|1,0,0]=3 1679 B8R1.7 C1CC(NC1)C(=O)O P477766 [0,1,0,1,0,0|1,0,0]=3 1680 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,1,0,1,0,0|1,0,0]=3 1681 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,1,0,1,0,0|1,0,0]=3 1682 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,1,0,1,0,0|1,0,0]=3 1683 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,1,0,1,0,0|1,0,0]=3 1684 B8R1.7 C1CC=C(C1)C(=O)O C153747 [0,1,0,1,0,0|0,0,2]=4 1685 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [0,1,0,1,0,0|0,0,0]=2 1686 B8R1.7 C1CCC(C1)C(=O)N C357646 [0,1,0,1,0,0|0,0,0]=2 1687 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,1,0,1,0,0|0,0,0]=2 1688 B8R1.7 C1CCN(C1)C(=S)[S-] A103738 [0,1,0,1,0,0|1,1,0]=4 1689 B8R1.7 C1CCN(C1)C(=S)[S-] A106037 [0,1,0,1,0,0|1,1,0]=4 1690 B8R1.7 C1CCN(C1)C(=S)[S-] S109602 [0,1,0,1,0,0|1,1,0]=4 1691 B8R1.7 C1CNCC1C(=O)O P176886 [0,1,0,1,0,0|1,0,0]=3 1692 B8R1.7 C1CNCC1C(=O)O P196048 [0,1,0,1,0,0|1,0,0]=3 1693 B8R1.7 C1CNCC1C(=O)O S134732 [0,1,0,1,0,0|1,0,0]=3 1694 B8R1.7 C1CNCC1C(=O)O S137345 [0,1,0,1,0,0|1,0,0]=3 1695 B8R1.7 C1COCC1C(=O)O R194491 [0,1,0,1,0,0|1,0,0]=3 1696 B8R1.7 C1COCC1C(=O)O T135700 [0,1,0,1,0,0|1,0,0]=3 1697 B8R1.7 C1CSC(N1)C(=O)O T162356 [0,1,0,1,0,0|2,0,0]=4 1698 B8R1.7 CC(=O)C1CCCC1 C194132 [0,1,0,1,0,0|0,0,0]=2 1699 B8R1.7 CC(=O)N1CCCC1 A151303 [0,1,0,1,0,0|1,0,0]=3 1700 B8R1.7 CC(C1CCCC1)O C349965 [0,1,0,1,0,0|0,0,2]=4 1701 B8R1.19 CC1(CCCC1=O)C D131503 [0,1,0,1,0,0|0,0,0]=2 1702 B8R1.19 CC1(CCOC1=O)C A151224 [0,1,0,1,0,0|1,0,0]=3 1703 B8R1.19 CC1(CONC1=O)C D400297 [0,1,0,1,0,0|2,0,0]=4 1704 B8R1.19 CC1CCOS1(=O)=O B152088 [0,1,0,1,0,0|2,0,0]=4 1705 B8R1.23 C1C(CC1=O)C(=O)O O129102 [0,1,0,1,0,0|1,0,1]=4 1706 B8R1.23 C=C1CC(C1)C(=O)O M174562 [0,1,0,1,0,0|0,0,2]=4 1707 B8R1.23 CN1CC(C1)C(=O)O M177850 [0,1,0,1,0,0|1,0,0]=3 1708 B8R1.54 C1CC1C(C(=O)O)N S170587 [0,1,0,1,0,0|1,0,0]=3 1709 B8R1.78 C1CC(C1)(C(=O)O)N A102435 [0,1,0,1,0,0|1,0,0]=3 1710 B8R1.78 C1CC(C1)(C(=O)O)N A151474 [0,1,0,1,0,0|1,0,0]=3 1711 B8R1.78 C1CC(C1)(C(=O)O)O H176443 [0,1,0,1,0,0|1,0,0]=3 1712 B8R1.78 CC1(CCC1)C(=O)O M176146 [0,1,0,1,0,0|0,0,0]=2 1713 B8R1.78 CC1(COC1)C(=O)O M136535 [0,1,0,1,0,0|1,0,0]=3 1714 B8R1.8 C1CCC(C1)CCO C154115 [0,1,0,1,0,0|0,0,2]=4 1715 B8R1.8 C1CCC(C1)N=C=O C153263 [0,1,0,1,0,0|0,0,1]=3 1716 B8R1.8 C1CCC(C1)N=C=S C140552 [0,1,0,1,0,0|0,1,1]=4 1717 B8R1.8 C=CCC1CCCC1 A332839 [0,1,0,1,0,0|1,0,0]=3 1718 B8R1.11 C1C(C(=O)CS1)C#N C123550 [0,1,0,1,0,0|1,0,1]=4 1719 B8R1.11 C1CC(C(=O)C1)C#N C183485 [0,1,0,1,0,0|0,0,1]=3 1720 B8R1.11 C=CN1CCCC1=O P101410 [0,1,0,1,0,0|1,0,1]=4 1721 B8R1.11 C=CN1CCCC1=O P109104 [0,1,0,1,0,0|1,0,1]=4 1722 B8R1.11 C=CN1CCCC1=O P110567 [0,1,0,1,0,0|1,0,1]=4 1723 B8R1.11 C=CN1CCCC1=O P110607 [0,1,0,1,0,0|1,0,1]=4 1724 B8R1.11 C=CN1CCCC1=O P110608 [0,1,0,1,0,0|1,0,1]=4 1725 B8R1.11 C=CN1CCCC1=O P110609 [0,1,0,1,0,0|1,0,1]=4 1726 B8R1.11 C=CN1CCCC1=O P110610 [0,1,0,1,0,0|1,0,1]=4 1727 B8R1.11 C=CN1CCCC1=O P110611 [0,1,0,1,0,0|1,0,1]=4 1728 B8R1.11 C=CN1CCCC1=O P274371 [0,1,0,1,0,0|1,0,1]=4 1729 B8R1.11 C=CN1CCCC1=O P422896 [0,1,0,1,0,0|1,0,1]=4 1730 B8R1.11 C=CN1CCCC1=O P434439 [0,1,0,1,0,0|1,0,1]=4 1731 B8R1.11 C=CN1CCCC1=O P434440 [0,1,0,1,0,0|1,0,1]=4 1732 B8R1.11 C=CN1CCCC1=O P434441 [0,1,0,1,0,0|1,0,1]=4 1733 B8R1.11 C=CN1CCCC1=O P434442 [0,1,0,1,0,0|1,0,1]=4 1734 B8R1.11 C=CN1CCCC1=O P434443 [0,1,0,1,0,0|1,0,1]=4 1735 B8R1.11 C=CN1CCCC1=O P434444 [0,1,0,1,0,0|1,0,1]=4 1736 B8R1.11 C=CN1CCCC1=O R615356 [0,1,0,1,0,0|1,0,1]=4 1737 B8R1.11 C=CN1CCCC1=O V106155 [0,1,0,1,0,0|1,0,1]=4 1738 B8R1.11 CCN1CCCC1=O E101635 [0,1,0,1,0,0|1,0,0]=3 1739 B8R1.11 CN1CCCC1CO M303525 [0,1,0,1,0,0|0,0,2]=4 1740 B8R1.11 CN1CCCC1CO S303491 [0,1,0,1,0,0|0,0,2]=4 1741 B8R1.72 CC1(CCCCC1)O M102063 [0,1,0,1,0,0|1,0,1]=4 1742 B8R1.72 CC1(CCCNC1)O M176551 [0,1,0,1,0,0|1,0,1]=4 1743 B8R1.72 CC1(CCCNC1)O M492417 [0,1,0,1,0,0|1,0,1]=4 1744 B8R1.60 C1CC(C1)(CO)CO C170374 [0,1,0,1,0,0|0,0,2]=4 1745 B8R2.34 C1CC2CC1C=C2 B109700 [0,0,0,2,0,0|1,0,0]=3 1746 B8R2.34 C1CC2CC1CN2 A483103 [0,0,0,2,0,0|1,0,1]=4 1747 B8R2.34 C1CC2CCC1C2 N159203 [0,0,0,2,0,0|1,0,1]=4 1748 B8R2.2 CC12CCCC1O2 M299636 [0,0,0,2,0,0|0,0,2]=4