0 B5R0.1 B(CCC)(O)O P120303 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C#CCC(=O)O B168856 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C(C#N)C(=O)N C101310 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 C(C#N)C(=O)O C105698 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C(C#N)C(=O)[O-] S586305 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 C(C#N)C(=S)N C186324 [0,0,0,0,0,0|3,1,0]=4 6 B5R0.1 C(C(=O)O)ON C109697 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.1 C(CBr)C(=O)Cl B135557 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 C(CBr)C(=O)N B152335 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 C(CBr)C(=O)O B106081 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C(CCl)C(=O)Cl C109466 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C(CCl)C(=O)N C171099 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 C(CCl)C(=O)O C106515 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 C(CI)C(=O)O I157542 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C(CN)C(=O)N B135870 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 C(CN)C(=O)O A105703 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 C(CN)C(=O)O A137901 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C(CN)C(=O)O A494514 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C(CO)C(=O)O H136635 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C(CO)[N+](=O)[O-] N110256 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 C(CS(=O)O)N H303371 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 C(CS)C(=O)O M103035 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 C(CS)C(=O)O M103036 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 C(CS)C(=O)O M590994 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 C(OC(=O)Cl)Cl C153890 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C=CCC(=O)O B152769 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 C=CCC(=O)O B152771 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CC#CC(=O)O B113384 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CC#CC(C)C M157953 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC(=C)CCO M158231 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CC(=CC#N)N A163009 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC(=O)CCO H106330 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 CC(=O)COC M158844 [0,0,0,0,0,0|0,1,0]=1 40 B5R0.1 CC(=O)NC=C N159504 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.1 CC(=O)NCO A151630 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.1 CC(=O)OC=C P101483 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 CC(=O)OC=C P101485 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CC(=O)OC=C P101486 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(=O)OC=C P301634 [0,0,0,0,0,0|2,0,1]=3 46 B5R0.1 CC(=O)OC=C P304876 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CC(=O)OC=C P304877 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC(=O)OC=C P304879 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CC(=O)OC=C P304880 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CC(=O)OC=C P304881 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CC(=O)OC=C P432376 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CC(=O)OC=C P489072 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.1 CC(=O)OC=C V104470 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CC(=O)OC=C V104471 [0,0,0,0,0,0|2,0,1]=3 55 B5R0.1 CC(=O)OC=C V104472 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.1 CC(=O)OCBr B122544 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 CC(=O)OCCl C194261 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.1 CC(C)CC#C M157952 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.1 CC(C)CC#N I137312 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CC(C)CCBr I109279 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CC(C)CCCl C105682 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 CC(C)CCI I100674 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 CC(C)CCN I109581 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CC(C)CCN I404590 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 CC(C)CCO M116196 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CC(C)CCO M116197 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 CC(C)CCO M116198 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CC(C)CCO M116200 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 CC(C)CCO M116201 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CC(C)CCO M119838 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 CC(C)CCS M101609 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.1 CC(C)CNN I588327 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.1 CC(C)C[Zn]Br I465880 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 CC(CC#C)O P160660 [0,0,0,0,0,0|1,0,3]=4 78 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|1,0,3]=4 79 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|1,0,3]=4 81 B5R0.1 CC(CCBr)Br D155315 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 CC(CCBr)O B589640 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CC(CCCl)Cl D155308 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.1 CC(CCO)N A123608 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.1 CC(CCO)N A183438 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CC(CCO)N S176942 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 CC(CCO)O B111016 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.1 CC(CCO)O B111017 [0,0,0,0,0,0|2,0,2]=4 89 B5R0.1 CC(CCO)O B111018 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.1 CC(CCO)O B119672 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.1 CC(CCO)O R160960 [0,0,0,0,0,0|2,0,2]=4 92 B5R0.1 CC(CCO)O S138551 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.1 CC(CNC)O M587581 [0,0,0,0,0,0|1,0,2]=3 94 B5R0.1 CC(COC)N M169973 [0,0,0,0,0,0|1,1,1]=3 95 B5R0.1 CC(COC)N S475332 [0,0,0,0,0,0|1,1,1]=3 96 B5R0.1 CC(COC)N S586466 [0,0,0,0,0,0|1,1,1]=3 97 B5R0.1 CC(COC)O M105264 [0,0,0,0,0,0|0,1,2]=3 98 B5R0.1 CC(COC)O M105265 [0,0,0,0,0,0|0,1,2]=3 99 B5R0.1 CC(COC)O M105266 [0,0,0,0,0,0|0,1,2]=3 100 B5R0.1 CC(COC)O M299436 [0,0,0,0,0,0|0,1,2]=3 101 B5R0.1 CC(COC)O R160841 [0,0,0,0,0,0|0,1,2]=3 102 B5R0.1 CC(COC)O S161357 [0,0,0,0,0,0|0,1,2]=3 103 B5R0.1 CC=CC(=O)C P139100 [0,0,0,0,0,0|1,0,1]=2 104 B5R0.1 CC=CC(=O)Cl C102055 [0,0,0,0,0,0|2,0,1]=3 105 B5R0.1 CC=CC(=O)Cl C153881 [0,0,0,0,0,0|2,0,1]=3 106 B5R0.1 CC=CC(=O)N C153720 [0,0,0,0,0,0|2,0,1]=3 107 B5R0.1 CC=CC(=O)O C104149 [0,0,0,0,0,0|2,0,1]=3 108 B5R0.1 CC=CC(=O)O C104150 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|2,0,2]=4 110 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|2,0,2]=4 111 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|2,0,1]=3 112 B5R0.1 CCCC(=C)C M158211 [0,0,0,0,0,0|2,0,0]=2 113 B5R0.1 CCCC(=O)C P103780 [0,0,0,0,0,0|1,0,0]=1 114 B5R0.1 CCCC(=O)C P103781 [0,0,0,0,0,0|1,0,0]=1 115 B5R0.1 CCCC(=O)C P103782 [0,0,0,0,0,0|1,0,0]=1 116 B5R0.1 CCCC(=O)C P103783 [0,0,0,0,0,0|1,0,0]=1 117 B5R0.1 CCCC(=O)Cl B108666 [0,0,0,0,0,0|2,0,0]=2 118 B5R0.1 CCCC(=O)N B152329 [0,0,0,0,0,0|2,0,0]=2 119 B5R0.1 CCCC(=O)O B110438 [0,0,0,0,0,0|2,0,0]=2 120 B5R0.1 CCCC(=O)O B110439 [0,0,0,0,0,0|2,0,0]=2 121 B5R0.1 CCCC(=O)O B110440 [0,0,0,0,0,0|2,0,0]=2 122 B5R0.1 CCCC(=O)O B110442 [0,0,0,0,0,0|2,0,0]=2 123 B5R0.1 CCCC(=O)O B274612 [0,0,0,0,0,0|2,0,0]=2 124 B5R0.1 CCCC(=O)O B431361 [0,0,0,0,0,0|2,0,0]=2 125 B5R0.1 CCCC(=O)[O-] S102954 [0,0,0,0,0,0|2,0,0]=2 126 B5R0.1 CCCC(=O)[O-] S102956 [0,0,0,0,0,0|2,0,0]=2 127 B5R0.1 CCCC(=O)[O-] S346178 [0,0,0,0,0,0|2,0,0]=2 128 B5R0.1 CCCC(=O)[O-] S421873 [0,0,0,0,0,0|2,0,0]=2 129 B5R0.1 CCCC(C)Br B400517 [0,0,0,0,0,0|2,0,1]=3 130 B5R0.1 CCCC(C)C I157548 [0,0,0,0,0,0|2,0,1]=3 131 B5R0.1 CCCC(C)C M105775 [0,0,0,0,0,0|2,0,1]=3 132 B5R0.1 CCCC(C)C M105776 [0,0,0,0,0,0|2,0,1]=3 133 B5R0.1 CCCC(C)C M105777 [0,0,0,0,0,0|2,0,1]=3 134 B5R0.1 CCCC(C)C M105778 [0,0,0,0,0,0|2,0,1]=3 135 B5R0.1 CCCC(C)C M137744 [0,0,0,0,0,0|2,0,1]=3 136 B5R0.1 CCCC(C)Cl C467357 [0,0,0,0,0,0|2,0,1]=3 137 B5R0.1 CCCC(C)N A151353 [0,0,0,0,0,0|2,0,1]=3 138 B5R0.1 CCCC(C)O P103442 [0,0,0,0,0,0|1,0,2]=3 139 B5R0.1 CCCC(C)O P103443 [0,0,0,0,0,0|1,0,2]=3 140 B5R0.1 CCCC(C)O R138651 [0,0,0,0,0,0|1,0,2]=3 141 B5R0.1 CCCC(C)O S138580 [0,0,0,0,0,0|1,0,2]=3 142 B5R0.1 CCCN(C)C N404354 [0,0,0,0,0,0|3,0,0]=3 143 B5R0.1 CCC[N+](=O)[O-] N109053 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.1 CCNC(=O)C I135660 [0,0,0,0,0,0|2,0,0]=2 145 B5R0.1 CCNC(=O)N E105944 [0,0,0,0,0,0|3,0,0]=3 146 B5R0.1 CCNC(=S)N E346726 [0,0,0,0,0,0|3,1,0]=4 147 B5R0.1 CCNC(C)C N159098 [0,0,0,0,0,0|3,0,1]=4 148 B5R0.1 CCOC(=N)C E132730 [0,0,0,0,0,0|3,0,0]=3 149 B5R0.1 CCOC(=N)N O183619 [0,0,0,0,0,0|4,0,0]=4 150 B5R0.1 CCOC(=O)C E116131 [0,0,0,0,0,0|2,0,0]=2 151 B5R0.1 CCOC(=O)C E116132 [0,0,0,0,0,0|2,0,0]=2 152 B5R0.1 CCOC(=O)C E116133 [0,0,0,0,0,0|2,0,0]=2 153 B5R0.1 CCOC(=O)C E116134 [0,0,0,0,0,0|2,0,0]=2 154 B5R0.1 CCOC(=O)C E116135 [0,0,0,0,0,0|2,0,0]=2 155 B5R0.1 CCOC(=O)C E116136 [0,0,0,0,0,0|2,0,0]=2 156 B5R0.1 CCOC(=O)C E116137 [0,0,0,0,0,0|2,0,0]=2 157 B5R0.1 CCOC(=O)C E116138 [0,0,0,0,0,0|2,0,0]=2 158 B5R0.1 CCOC(=O)C E116139 [0,0,0,0,0,0|2,0,0]=2 159 B5R0.1 CCOC(=O)C E116141 [0,0,0,0,0,0|2,0,0]=2 160 B5R0.1 CCOC(=O)C E116142 [0,0,0,0,0,0|2,0,0]=2 161 B5R0.1 CCOC(=O)C E119698 [0,0,0,0,0,0|2,0,0]=2 162 B5R0.1 CCOC(=O)C E141165 [0,0,0,0,0,0|2,0,0]=2 163 B5R0.1 CCOC(=O)C E302266 [0,0,0,0,0,0|2,0,0]=2 164 B5R0.1 CCOC(=O)C E432070 [0,0,0,0,0,0|2,0,0]=2 165 B5R0.1 CCOC(=O)N C266075 [0,0,0,0,0,0|3,0,0]=3 166 B5R0.1 CCOC(=O)N E424443 [0,0,0,0,0,0|3,0,0]=3 167 B5R0.1 CCOC(=O)N U108629 [0,0,0,0,0,0|3,0,0]=3 168 B5R0.1 CCOC(=O)N U299635 [0,0,0,0,0,0|3,0,0]=3 169 B5R0.1 CCOC(=S)[S-] P110999 [0,0,0,0,0,0|3,1,0]=4 170 B5R0.1 CCOC(=S)[S-] P111000 [0,0,0,0,0,0|3,1,0]=4 171 B5R0.1 CCOC(=S)[S-] S161075 [0,0,0,0,0,0|3,1,0]=4 172 B5R0.1 CCOC(=S)[S-] S298709 [0,0,0,0,0,0|3,1,0]=4 173 B5R0.1 CCO[Si](=O)O E302202 [0,0,0,0,0,0|3,1,0]=4 174 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|3,1,0]=4 175 B5R0.1 CCSC(=N)N S161123 [0,0,0,0,0,0|4,0,0]=4 176 B5R0.1 CCSC(=O)C E107950 [0,0,0,0,0,0|2,0,0]=2 177 B5R0.1 CCSC(=S)C E338928 [0,0,0,0,0,0|2,1,0]=3 178 B5R0.1 CN(C)CC#C N159655 [0,0,0,0,0,0|3,0,1]=4 179 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|3,0,1]=4 180 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|4,0,0]=4 181 B5R0.1 CN(C)CCBr B183437 [0,0,0,0,0,0|4,0,0]=4 182 B5R0.1 CN(C)CCN D105347 [0,0,0,0,0,0|4,0,0]=4 183 B5R0.1 CN(C)CCN N404297 [0,0,0,0,0,0|4,0,0]=4 184 B5R0.1 CN(C)CCN N404298 [0,0,0,0,0,0|4,0,0]=4 185 B5R0.1 CN(C)CCO D109078 [0,0,0,0,0,0|4,0,0]=4 186 B5R0.1 CN(C)CCO D109079 [0,0,0,0,0,0|4,0,0]=4 187 B5R0.1 CN(C)CCO D109080 [0,0,0,0,0,0|4,0,0]=4 188 B5R0.1 CNCC(=O)N S115899 [0,0,0,0,0,0|2,0,0]=2 189 B5R0.1 CNCC(=O)O S102891 [0,0,0,0,0,0|2,0,0]=2 190 B5R0.1 CNCC(=O)O S113893 [0,0,0,0,0,0|2,0,0]=2 191 B5R0.1 CNCC(=O)O S420541 [0,0,0,0,0,0|2,0,0]=2 192 B5R0.1 CNCC(=O)[O-] S189142 [0,0,0,0,0,0|2,0,0]=2 193 B5R0.1 COCC(=O)Cl M124203 [0,0,0,0,0,0|1,1,0]=2 194 B5R0.1 COCC(=O)O M158057 [0,0,0,0,0,0|1,1,0]=2 195 B5R0.1 CSCC(=O)N M158330 [0,0,0,0,0,0|1,0,0]=1 196 B5R0.1 CSCC(=O)O M168970 [0,0,0,0,0,0|1,0,0]=1 197 B5R0.1 CSCS(=O)C M158415 [0,0,0,0,0,0|1,0,0]=1 198 B4R0.1 B(CC)(O)O E120272 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.1 C#CC(=O)N P344736 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.1 C#CC(=O)O P109569 [1,0,0,0,0,0|1,0,2]=4 201 B4R0.1 C(=O)(N)NN A105056 [1,0,0,0,0,0|3,0,0]=4 202 B4R0.1 C(=O)(N)NN A105058 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.1 C(=O)(N)NN S171063 [1,0,0,0,0,0|3,0,0]=4 204 B4R0.1 C(=O)(N)NO H106352 [1,0,0,0,0,0|2,1,0]=4 205 B4R0.1 C(=O)(SCl)Cl C154038 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.1 C(=O)C(=O)O G108309 [1,0,0,0,0,0|1,1,1]=4 207 B4R0.1 C(=O)C(=O)O G169372 [1,0,0,0,0,0|1,1,1]=4 208 B4R0.1 C(C(=N)N)Cl C165534 [1,0,0,0,0,0|3,0,0]=4 209 B4R0.1 C(C(=N)N)N A133988 [1,0,0,0,0,0|3,0,0]=4 210 B4R0.1 C(C(=O)Br)Br B106897 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.1 C(C(=O)Cl)Br B137113 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.1 C(C(=O)N)Br B139173 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.1 C(C(=O)N)Cl C106072 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.1 C(C(=O)N)I I105563 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.1 C(C(=O)N)I I131590 [1,0,0,0,0,0|2,0,0]=3 216 B4R0.1 C(C(=O)N)I I421630 [1,0,0,0,0,0|2,0,0]=3 217 B4R0.1 C(C(=O)N)N G106202 [1,0,0,0,0,0|2,0,0]=3 218 B4R0.1 C(C(=O)N)N G185482 [1,0,0,0,0,0|2,0,0]=3 219 B4R0.1 C(C(=O)N)O G102639 [1,0,0,0,0,0|1,1,0]=3 220 B4R0.1 C(C(=O)O)Br B108523 [1,0,0,0,0,0|2,0,0]=3 221 B4R0.1 C(C(=O)O)Br B108524 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.1 C(C(=O)O)Br B108525 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.1 C(C(=O)O)Br B355164 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.1 C(C(=O)O)Br B434194 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.1 C(C(=O)O)Cl C485697 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.1 C(C(=O)O)I I104613 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.1 C(C(=O)O)N A110749 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.1 C(C(=O)O)N A110750 [1,0,0,0,0,0|2,0,0]=3 229 B4R0.1 C(C(=O)O)N A110751 [1,0,0,0,0,0|2,0,0]=3 230 B4R0.1 C(C(=O)O)N A110752 [1,0,0,0,0,0|2,0,0]=3 231 B4R0.1 C(C(=O)O)N A111465 [1,0,0,0,0,0|2,0,0]=3 232 B4R0.1 C(C(=O)O)N A124751 [1,0,0,0,0,0|2,0,0]=3 233 B4R0.1 C(C(=O)O)N A124757 [1,0,0,0,0,0|2,0,0]=3 234 B4R0.1 C(C(=O)O)N A298706 [1,0,0,0,0,0|2,0,0]=3 235 B4R0.1 C(C(=O)O)N B190646 [1,0,0,0,0,0|2,0,0]=3 236 B4R0.1 C(C(=O)O)N B573462 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.1 C(C(=O)O)N G110174 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.1 C(C(=O)O)N G119904 [1,0,0,0,0,0|2,0,0]=3 239 B4R0.1 C(C(=O)O)N G133060 [1,0,0,0,0,0|2,0,0]=3 240 B4R0.1 C(C(=O)O)N G156794 [1,0,0,0,0,0|2,0,0]=3 241 B4R0.1 C(C(=O)O)N G156795 [1,0,0,0,0,0|2,0,0]=3 242 B4R0.1 C(C(=O)O)N G432934 [1,0,0,0,0,0|2,0,0]=3 243 B4R0.1 C(C(=O)O)N G432935 [1,0,0,0,0,0|2,0,0]=3 244 B4R0.1 C(C(=O)O)N G471905 [1,0,0,0,0,0|2,0,0]=3 245 B4R0.1 C(C(=O)O)N G472098 [1,0,0,0,0,0|2,0,0]=3 246 B4R0.1 C(C(=O)O)O G104191 [1,0,0,0,0,0|1,1,0]=3 247 B4R0.1 C(C(=O)O)O G104193 [1,0,0,0,0,0|1,1,0]=3 248 B4R0.1 C(C(=O)O)O G425976 [1,0,0,0,0,0|1,1,0]=3 249 B4R0.1 C(C(=O)O)O G434198 [1,0,0,0,0,0|1,1,0]=3 250 B4R0.1 C(C(=O)O)O G591002 [1,0,0,0,0,0|1,1,0]=3 251 B4R0.1 C(C(=O)O)O N129652 [1,0,0,0,0,0|1,1,0]=3 252 B4R0.1 C(C(=O)O)O N427119 [1,0,0,0,0,0|1,1,0]=3 253 B4R0.1 C(C(=O)O)O P136309 [1,0,0,0,0,0|1,1,0]=3 254 B4R0.1 C(C(=O)O)O P477164 [1,0,0,0,0,0|1,1,0]=3 255 B4R0.1 C(C(=O)O)S T104998 [1,0,0,0,0,0|1,0,0]=2 256 B4R0.1 C(C(=O)O)S T105002 [1,0,0,0,0,0|1,0,0]=2 257 B4R0.1 C(C(=O)O)S T501446 [1,0,0,0,0,0|1,0,0]=2 258 B4R0.1 C(C(=O)[O-])Br S124697 [1,0,0,0,0,0|2,0,0]=3 259 B4R0.1 C(C(=O)[O-])Cl S108371 [1,0,0,0,0,0|2,0,0]=3 260 B4R0.1 C(C(=O)[O-])I S104897 [1,0,0,0,0,0|2,0,0]=3 261 B4R0.1 C(C(=O)[O-])N F302712 [1,0,0,0,0,0|2,0,0]=3 262 B4R0.1 C(C(=O)[O-])N G104214 [1,0,0,0,0,0|2,0,0]=3 263 B4R0.1 C(C(=O)[O-])N G156806 [1,0,0,0,0,0|2,0,0]=3 264 B4R0.1 C(C(=O)[O-])N G168473 [1,0,0,0,0,0|2,0,0]=3 265 B4R0.1 C(C(=O)[O-])N M302926 [1,0,0,0,0,0|2,0,0]=3 266 B4R0.1 C(C(=O)[O-])O C154022 [1,0,0,0,0,0|1,1,0]=3 267 B4R0.1 C(C(=O)[O-])O C347797 [1,0,0,0,0,0|1,1,0]=3 268 B4R0.1 C(C(=O)[O-])O S102872 [1,0,0,0,0,0|1,1,0]=3 269 B4R0.1 C(C(=O)[O-])S A109096 [1,0,0,0,0,0|1,0,0]=2 270 B4R0.1 C(C(=O)[O-])S C154034 [1,0,0,0,0,0|1,0,0]=2 271 B4R0.1 C(C(=O)[O-])S S105664 [1,0,0,0,0,0|1,0,0]=2 272 B4R0.1 C(O)S(=O)[O-] R110955 [1,0,0,0,0,0|2,1,0]=4 273 B4R0.1 C([N+](=O)[O-])Br B113246 [1,0,0,0,0,0|3,0,0]=4 274 B4R0.1 C=C(CBr)Br D113566 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.1 C=C(CBr)Br D113567 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 C=C(CCl)Cl D154468 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 C=C(CO)Br B352406 [1,0,0,0,0,0|1,1,1]=4 278 B4R0.1 C=C(CO)Cl C171127 [1,0,0,0,0,0|1,1,1]=4 279 B4R0.1 C=CC(=O)Cl A104614 [1,0,0,0,0,0|1,0,2]=4 280 B4R0.1 C=CC(=O)N A108465 [1,0,0,0,0,0|1,0,2]=4 281 B4R0.1 C=CC(=O)N A108466 [1,0,0,0,0,0|1,0,2]=4 282 B4R0.1 C=CC(=O)N A108467 [1,0,0,0,0,0|1,0,2]=4 283 B4R0.1 C=CC(=O)N A108468 [1,0,0,0,0,0|1,0,2]=4 284 B4R0.1 C=CC(=O)N A108469 [1,0,0,0,0,0|1,0,2]=4 285 B4R0.1 C=CC(=O)N A108470 [1,0,0,0,0,0|1,0,2]=4 286 B4R0.1 C=CC(=O)N A353801 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.1 C=CC(=O)N P108471 [1,0,0,0,0,0|1,0,2]=4 288 B4R0.1 C=CC(=O)N P434410 [1,0,0,0,0,0|1,0,2]=4 289 B4R0.1 C=CC(=O)N P434411 [1,0,0,0,0,0|1,0,2]=4 290 B4R0.1 C=CC(=O)N P477438 [1,0,0,0,0,0|1,0,2]=4 291 B4R0.1 C=CC(=O)O A103525 [1,0,0,0,0,0|1,0,2]=4 292 B4R0.1 C=CC(=O)O A103526 [1,0,0,0,0,0|1,0,2]=4 293 B4R0.1 C=CC(=O)O A397753 [1,0,0,0,0,0|1,0,2]=4 294 B4R0.1 C=CC(=O)O A434196 [1,0,0,0,0,0|1,0,2]=4 295 B4R0.1 C=CC(=O)O A615488 [1,0,0,0,0,0|1,0,2]=4 296 B4R0.1 C=CC(=O)O P104270 [1,0,0,0,0,0|1,0,2]=4 297 B4R0.1 C=CC(=O)O P104272 [1,0,0,0,0,0|1,0,2]=4 298 B4R0.1 C=CC(=O)O P131657 [1,0,0,0,0,0|1,0,2]=4 299 B4R0.1 C=CC(=O)O P131658 [1,0,0,0,0,0|1,0,2]=4 300 B4R0.1 C=CC(=O)O P131659 [1,0,0,0,0,0|1,0,2]=4 301 B4R0.1 C=CC(=O)O P299190 [1,0,0,0,0,0|1,0,2]=4 302 B4R0.1 C=CC(=O)O P404949 [1,0,0,0,0,0|1,0,2]=4 303 B4R0.1 C=CC(=O)O P639633 [1,0,0,0,0,0|1,0,2]=4 304 B4R0.1 C=CC(=O)[O-] M304023 [1,0,0,0,0,0|1,0,2]=4 305 B4R0.1 C=CC(=O)[O-] P304873 [1,0,0,0,0,0|1,0,2]=4 306 B4R0.1 C=CC(=O)[O-] P434406 [1,0,0,0,0,0|1,0,2]=4 307 B4R0.1 C=CC(=O)[O-] P434407 [1,0,0,0,0,0|1,0,2]=4 308 B4R0.1 C=CC(=O)[O-] P434408 [1,0,0,0,0,0|1,0,2]=4 309 B4R0.1 C=CC(=O)[O-] P434409 [1,0,0,0,0,0|1,0,2]=4 310 B4R0.1 C=CC(=O)[O-] S108368 [1,0,0,0,0,0|1,0,2]=4 311 B4R0.1 C=CC(=O)[O-] S165277 [1,0,0,0,0,0|1,0,2]=4 312 B4R0.1 C=CC(=O)[O-] S298808 [1,0,0,0,0,0|1,0,2]=4 313 B4R0.1 C=CC(=O)[O-] S304539 [1,0,0,0,0,0|1,0,2]=4 314 B4R0.1 C=CC(=O)[O-] S434405 [1,0,0,0,0,0|1,0,2]=4 315 B4R0.1 C=CC(=O)[O-] Z472262 [1,0,0,0,0,0|1,0,2]=4 316 B4R0.1 CC(=C)C#C M189215 [1,0,0,0,0,0|1,0,2]=4 317 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|1,1,1]=4 318 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|1,1,1]=4 319 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|2,0,0]=3 320 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|2,0,0]=3 321 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|2,0,0]=3 322 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|1,1,0]=3 323 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|2,0,1]=4 324 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 CC(=NN)N A193172 [1,0,0,0,0,0|3,0,0]=4 326 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|2,1,0]=4 327 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|2,1,0]=4 328 B4R0.1 CC(=O)C#C B101576 [1,0,0,0,0,0|0,0,2]=3 329 B4R0.1 CC(=O)C#N P466890 [1,0,0,0,0,0|1,0,1]=3 330 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|0,1,1]=3 331 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|0,1,1]=3 332 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|1,0,0]=2 333 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|1,0,0]=2 334 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|1,0,0]=2 335 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|0,1,0]=2 336 B4R0.1 CC(=O)NBr N159711 [1,0,0,0,0,0|2,0,0]=3 337 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|1,0,0]=2 338 B4R0.1 CC(=O)NN A151537 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|1,1,0]=3 340 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|0,1,0]=2 341 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|0,1,0]=2 342 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|0,1,0]=2 343 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|0,1,0]=2 344 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|0,1,0]=2 345 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|0,1,0]=2 346 B4R0.1 CC(=O)O[Al] A283286 [1,0,0,0,0,0|1,1,0]=3 347 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|0,0,0]=1 348 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|2,0,1]=4 349 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|2,0,1]=4 350 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|2,0,1]=4 351 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|2,0,1]=4 352 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|2,0,1]=4 353 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|2,0,1]=4 354 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|2,0,1]=4 356 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|2,0,1]=4 357 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|1,1,1]=4 358 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|1,1,1]=4 359 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|1,1,1]=4 360 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|1,1,1]=4 361 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|1,1,1]=4 362 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|1,1,1]=4 363 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|1,1,1]=4 364 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|1,1,1]=4 365 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|1,0,1]=3 366 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|1,0,1]=3 368 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|1,0,2]=4 370 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|1,0,2]=4 375 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|1,0,2]=4 376 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|1,0,2]=4 377 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,1]=4 378 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,1]=4 380 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|1,0,2]=4 381 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|1,0,2]=4 382 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|1,0,2]=4 383 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|1,0,2]=4 384 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|1,0,2]=4 385 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|1,0,2]=4 386 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|1,0,2]=4 387 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,1,1]=4 388 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,1,1]=4 389 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,1,1]=4 390 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,1,1]=4 391 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|0,1,2]=4 392 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|0,1,2]=4 393 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|0,1,2]=4 394 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|0,1,2]=4 395 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|0,1,2]=4 396 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|0,1,2]=4 397 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|0,1,2]=4 398 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|0,1,1]=3 399 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|1,0,1]=3 400 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|1,0,1]=3 401 B4R0.1 CC=C(Cl)Cl D128125 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 CCC(=N)N P588869 [1,0,0,0,0,0|2,0,0]=3 403 B4R0.1 CCC(=O)Br P107847 [1,0,0,0,0,0|1,0,0]=2 404 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|0,0,0]=1 405 B4R0.1 CCC(=O)Cl P108665 [1,0,0,0,0,0|1,0,0]=2 406 B4R0.1 CCC(=O)N P104016 [1,0,0,0,0,0|1,0,0]=2 407 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|1,0,0]=2 408 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|1,0,0]=2 409 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|1,0,0]=2 410 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|1,0,0]=2 411 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|1,0,0]=2 412 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|1,0,0]=2 413 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|1,0,0]=2 414 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|1,0,0]=2 415 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|1,0,0]=2 416 B4R0.1 CCC(=O)[O-] C112470 [1,0,0,0,0,0|1,0,0]=2 417 B4R0.1 CCC(=O)[O-] C112471 [1,0,0,0,0,0|1,0,0]=2 418 B4R0.1 CCC(=O)[O-] C492256 [1,0,0,0,0,0|1,0,0]=2 419 B4R0.1 CCC(=O)[O-] P160177 [1,0,0,0,0,0|1,0,0]=2 420 B4R0.1 CCC(=O)[O-] S100120 [1,0,0,0,0,0|1,0,0]=2 421 B4R0.1 CCC(=O)[O-] S100121 [1,0,0,0,0,0|1,0,0]=2 422 B4R0.1 CCC(=O)[O-] S100122 [1,0,0,0,0,0|1,0,0]=2 423 B4R0.1 CCC(=O)[O-] S346177 [1,0,0,0,0,0|1,0,0]=2 424 B4R0.1 CCC(=O)[O-] Z346699 [1,0,0,0,0,0|1,0,0]=2 425 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|1,0,1]=3 426 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|1,0,1]=3 427 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|1,0,1]=3 428 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|1,0,1]=3 429 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|1,0,1]=3 430 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|1,0,1]=3 431 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|1,0,1]=3 432 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|1,0,1]=3 433 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|0,0,2]=3 434 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|0,0,2]=3 435 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|0,0,2]=3 436 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|0,0,2]=3 437 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|0,0,2]=3 438 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|0,0,2]=3 439 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|0,1,1]=3 440 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|2,0,1]=4 441 B4R0.1 CCS(=O)[O-] S182544 [1,0,0,0,0,0|2,0,0]=3 442 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|1,1,0]=3 443 B4R0.1 CN=C(N)N M133119 [1,0,0,0,0,0|3,0,0]=4 444 B4R0.1 CN=C(N)N M158240 [1,0,0,0,0,0|3,0,0]=4 445 B4R0.1 CN=C(N)N M473051 [1,0,0,0,0,0|3,0,0]=4 446 B4R0.1 CN=[N+](C)[O-] A169090 [1,0,0,0,0,0|2,0,1]=4 447 B4R0.1 CNC(=O)Cl M304270 [1,0,0,0,0,0|2,0,0]=3 448 B4R0.1 CNC(=O)N M107951 [1,0,0,0,0,0|2,0,0]=3 449 B4R0.1 CNC(=S)N M102026 [1,0,0,0,0,0|2,1,0]=4 450 B4R0.1 CNC(=S)[S-] M137665 [1,0,0,0,0,0|2,1,0]=4 451 B4R0.1 COC(=N)N O159961 [1,0,0,0,0,0|2,1,0]=4 452 B4R0.1 COC(=N)N O299457 [1,0,0,0,0,0|2,1,0]=4 453 B4R0.1 COC(=O)N M110332 [1,0,0,0,0,0|1,1,0]=3 454 B4R0.1 CSC(=N)N M108041 [1,0,0,0,0,0|2,0,0]=3 455 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|2,1,0]=4 456 B4R0.1 NC(=O)NO H408867 [1,0,0,0,0,0|2,1,0]=4 457 B4R0.2 C(=O)[N-]C=O S160985 [1,0,0,0,0,0|3,0,0]=4 458 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|2,0,0]=3 459 B4R0.2 C=CCC#N A124212 [1,0,0,0,0,0|2,0,1]=4 460 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|2,0,1]=4 461 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|2,0,1]=4 462 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|2,0,1]=4 463 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|2,0,1]=4 464 B4R0.2 C=CCON O159949 [1,0,0,0,0,0|1,1,1]=4 465 B4R0.2 C=CNC=O N159503 [1,0,0,0,0,0|2,0,1]=4 466 B4R0.2 CC=CC#N B111228 [1,0,0,0,0,0|2,0,1]=4 467 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|2,0,1]=4 469 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|2,0,1]=4 470 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|1,0,2]=4 471 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|1,0,0]=2 472 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|1,0,0]=2 473 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|1,0,0]=2 474 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|2,0,1]=4 475 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|2,0,1]=4 476 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|2,0,1]=4 477 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|2,0,1]=4 478 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|2,0,1]=4 479 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|2,0,1]=4 480 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|2,0,1]=4 481 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|2,0,1]=4 482 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|2,0,1]=4 483 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|2,0,1]=4 484 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|2,0,1]=4 485 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|2,0,1]=4 486 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|2,0,1]=4 487 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|2,0,1]=4 488 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|2,0,1]=4 490 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|2,0,1]=4 493 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|2,0,1]=4 494 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|2,0,1]=4 495 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|2,0,1]=4 496 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|1,0,2]=4 497 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|1,0,2]=4 498 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|1,0,2]=4 499 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|1,0,2]=4 500 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|1,0,2]=4 501 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|1,0,2]=4 502 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|1,0,2]=4 503 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|1,0,2]=4 504 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|1,0,2]=4 505 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|1,0,2]=4 506 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|1,0,2]=4 507 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|1,0,2]=4 508 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|1,0,2]=4 509 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|1,0,2]=4 510 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|1,1,1]=4 511 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|1,1,1]=4 512 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|1,0,2]=4 513 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|1,0,2]=4 514 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|1,0,2]=4 515 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|1,0,2]=4 516 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|1,0,2]=4 517 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|1,0,2]=4 518 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|1,0,2]=4 519 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|1,0,2]=4 520 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|1,0,1]=3 521 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|0,0,1]=2 522 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|2,0,0]=3 523 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|2,0,1]=4 524 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|2,0,1]=4 525 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|2,0,1]=4 526 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|2,0,1]=4 527 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|2,0,1]=4 528 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|2,0,1]=4 529 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|2,0,1]=4 530 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|2,0,1]=4 531 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|2,0,1]=4 532 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|2,0,0]=3 533 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|2,0,0]=3 534 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|2,0,0]=3 535 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|2,0,0]=3 536 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|2,0,0]=3 537 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|2,0,1]=4 538 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|2,0,1]=4 539 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|2,0,1]=4 540 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|2,0,1]=4 541 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|2,0,1]=4 542 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|2,0,1]=4 543 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|2,0,1]=4 544 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|2,0,1]=4 545 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|2,0,1]=4 546 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|2,0,1]=4 547 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|2,0,1]=4 548 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|1,1,1]=4 549 B4R0.2 CNCC#C N467806 [1,0,0,0,0,0|1,0,2]=4 550 B4R0.2 CNCC#N M102241 [1,0,0,0,0,0|2,0,1]=4 551 B4R0.2 CNCC#N M158300 [1,0,0,0,0,0|2,0,1]=4 552 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|1,0,1]=3 553 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|2,0,1]=4 554 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|2,0,1]=4 555 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|2,0,1]=4 556 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|1,0,2]=4 557 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|1,0,2]=4 558 B4R0.2 COCC#C M157951 [1,0,0,0,0,0|0,1,2]=4 559 B4R0.2 COCC#N M158576 [1,0,0,0,0,0|1,1,1]=4 560 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|0,1,1]=3 561 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|1,1,1]=4 562 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|1,1,1]=4 563 B4R0.2 COCCN M138018 [1,0,0,0,0,0|1,1,1]=4 564 B4R0.2 COCCN M404735 [1,0,0,0,0,0|1,1,1]=4 565 B4R0.2 COCCN M493557 [1,0,0,0,0,0|1,1,1]=4 566 B4R0.2 COCCO M102852 [1,0,0,0,0,0|0,1,2]=4 567 B4R0.2 COCCO M102853 [1,0,0,0,0,0|0,1,2]=4 568 B4R0.2 COCCO M102854 [1,0,0,0,0,0|0,1,2]=4 569 B4R0.2 COCCO M102855 [1,0,0,0,0,0|0,1,2]=4 570 B4R0.2 COCCO M102856 [1,0,0,0,0,0|0,1,2]=4 571 B4R0.2 COCCO M102857 [1,0,0,0,0,0|0,1,2]=4 572 B4R0.2 COCCO M102858 [1,0,0,0,0,0|0,1,2]=4 573 B4R0.2 COCCO M119725 [1,0,0,0,0,0|0,1,2]=4 574 B4R0.2 COCOC D101433 [1,0,0,0,0,0|1,1,0]=3 575 B4R0.2 COCOC D101436 [1,0,0,0,0,0|1,1,0]=3 576 B4R0.2 COCOC F431409 [1,0,0,0,0,0|1,1,0]=3 577 B4R0.2 CSCC#N M158307 [1,0,0,0,0,0|1,0,1]=3 578 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|0,0,1]=2 579 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|1,0,1]=3 580 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|1,0,1]=3 581 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|1,0,1]=3 582 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|0,0,2]=3 583 B4R0.2 CSCSC B140648 [1,0,0,0,0,0|1,0,0]=2 584 B4R0.2 CSSSC D103087 [1,0,0,0,0,0|2,0,0]=3 585 B6R0.1 C(C#N)C(=O)NN C117444 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.1 C(C(=O)NCO)Cl C169257 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.1 C=COC(=O)CCl V162952 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.1 CC#CC(=O)OC M158860 [0,1,0,0,0,0|1,0,1]=3 589 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|0,1,2]=4 590 B6R0.1 CC=CC(=O)OC M109486 [0,1,0,0,0,0|1,0,1]=3 591 B6R0.1 CCC(=O)C=CC E404567 [0,1,0,0,0,0|1,0,1]=3 592 B6R0.1 CCC(=O)C=CC H111425 [0,1,0,0,0,0|1,0,1]=3 593 B6R0.1 CCC(=O)OC=C V162937 [0,1,0,0,0,0|2,0,1]=4 594 B6R0.1 CCC(=O)OCC E103457 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.1 CCC(=O)OCC E103458 [0,1,0,0,0,0|2,0,0]=3 596 B6R0.1 CCC(=O)OCC E103459 [0,1,0,0,0,0|2,0,0]=3 597 B6R0.1 CCC(=O)OCC E103460 [0,1,0,0,0,0|2,0,0]=3 598 B6R0.1 CCC(=O)OCC E278958 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.1 CCC(=O)SCC S133123 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.1 CCC(COC)N A151357 [0,1,0,0,0,0|1,1,1]=4 601 B6R0.1 CCC(COC)O M158749 [0,1,0,0,0,0|0,1,2]=4 602 B6R0.1 CCC=C(C)C=O M102187 [0,1,0,0,0,0|1,0,1]=3 603 B6R0.1 CCCC(=O)CC H106710 [0,1,0,0,0,0|1,0,0]=2 604 B6R0.1 CCCC(=O)NN B183968 [0,1,0,0,0,0|2,0,0]=3 605 B6R0.1 CCCC(=O)OC M100038 [0,1,0,0,0,0|1,0,0]=2 606 B6R0.1 CCCC(=O)OC M100039 [0,1,0,0,0,0|1,0,0]=2 607 B6R0.1 CCCC(=O)OC M100040 [0,1,0,0,0,0|1,0,0]=2 608 B6R0.1 CCCC(=O)SC M102997 [0,1,0,0,0,0|1,0,0]=2 609 B6R0.1 CCCC(C)C=O M158691 [0,1,0,0,0,0|1,0,1]=3 610 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|2,0,1]=4 611 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|1,0,2]=4 612 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|2,0,1]=4 613 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|2,0,1]=4 614 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|1,0,2]=4 615 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|2,0,1]=4 616 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|2,0,1]=4 617 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|1,0,2]=4 618 B6R0.1 CCNC(=O)C=C N136947 [0,1,0,0,0,0|2,0,1]=4 619 B6R0.1 CCOC(=NO)C E124202 [0,1,0,0,0,0|2,0,1]=4 620 B6R0.1 CCOC(=O)C#C E107738 [0,1,0,0,0,0|2,0,1]=4 621 B6R0.1 CCOC(=O)C#C E357742 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.1 CCOC(=O)C#N E106582 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.1 CCOC(=O)C#N E298724 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.1 CCOC(=O)C=C E112943 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.1 CCOC(=O)C=C E112944 [0,1,0,0,0,0|2,0,1]=4 626 B6R0.1 CCOC(=O)C=C E112945 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.1 CCOC(=O)C=C E465763 [0,1,0,0,0,0|2,0,1]=4 628 B6R0.1 CCOC(=O)C=O E106246 [0,1,0,0,0,0|2,0,1]=4 629 B6R0.1 CCOC(=O)CBr E106090 [0,1,0,0,0,0|2,0,0]=3 630 B6R0.1 CCOC(=O)CCl E105166 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.1 CCOC(=O)CCl E105167 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.1 CCOC(=O)CF E107563 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.1 CCOC(=O)CN G105477 [0,1,0,0,0,0|2,0,0]=3 634 B6R0.1 CCOC(=O)CO E101730 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.1 CCOC(=O)CS E109439 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.1 CCOC(=O)NN E133700 [0,1,0,0,0,0|3,0,0]=4 637 B6R0.1 CCOC(=O)OC E110111 [0,1,0,0,0,0|2,0,0]=3 638 B6R0.1 CCOC(=O)OC E433135 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.1 CNC(=O)CC#N C185694 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.1 CNCC(CO)O M157918 [0,1,0,0,0,0|1,0,2]=4 641 B6R0.1 COC(=O)C=CI E589680 [0,1,0,0,0,0|2,0,1]=4 642 B6R0.1 COC(=O)CC#N M110112 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.1 COC(=O)CC=C M341924 [0,1,0,0,0,0|1,0,1]=3 644 B6R0.1 COC(=O)CCBr M158830 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.1 COC(=O)CCN A104532 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.1 COC(=O)CCO D304149 [0,1,0,0,0,0|2,0,0]=3 647 B6R0.1 COC(=O)CCS M107600 [0,1,0,0,0,0|2,0,0]=3 648 B6R0.1 COC(=O)CSC M120419 [0,1,0,0,0,0|0,0,0]=1 649 B6R0.1 COC(=O)C[N+]#[C-] M157837 [0,1,0,0,0,0|1,0,1]=3 650 B6R0.1 COC(=O)OCCl C347908 [0,1,0,0,0,0|3,0,0]=4 651 B6R0.1 COCC(=O)OC M106398 [0,1,0,0,0,0|0,1,0]=2 652 B6R0.1 COCC(CCl)O C153895 [0,1,0,0,0,0|0,1,2]=4 653 B6R0.1 COCC(CN)O A479789 [0,1,0,0,0,0|0,1,2]=4 654 B6R0.1 COCC(CO)O M135227 [0,1,0,0,0,0|0,1,2]=4 655 B6R0.2 C(C(=N)N)C(=O)N A136566 [0,1,0,0,0,0|3,0,0]=4 656 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,1,0,0,0,0|3,0,0]=4 657 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,1,0,0,0,0|3,0,0]=4 658 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,1,0,0,0,0|3,0,0]=4 659 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,1,0,0,0,0|3,0,0]=4 660 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,1,0,0,0,0|3,0,0]=4 661 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,1,0,0,0,0|3,0,0]=4 662 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,1,0,0,0,0|3,0,0]=4 663 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,1,0,0,0,0|3,0,0]=4 664 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,1,0,0,0,0|3,0,0]=4 665 B6R0.2 CC(=C)OC(=O)C I108612 [0,1,0,0,0,0|2,0,0]=3 666 B6R0.2 CC(=CC(=O)C)C M105926 [0,1,0,0,0,0|1,0,1]=3 667 B6R0.2 CC(=CC(=O)C)C M105927 [0,1,0,0,0,0|1,0,1]=3 668 B6R0.2 CC(=CC(=O)C)C M105928 [0,1,0,0,0,0|1,0,1]=3 669 B6R0.2 CC(=CC(=O)C)N F156686 [0,1,0,0,0,0|1,0,1]=3 670 B6R0.2 CC(=CC(=O)C)O A118525 [0,1,0,0,0,0|1,0,1]=3 671 B6R0.2 CC(=CC(=O)C)O A118538 [0,1,0,0,0,0|1,0,1]=3 672 B6R0.2 CC(=CC(=O)C)O A579873 [0,1,0,0,0,0|1,0,1]=3 673 B6R0.2 CC(=CC(=O)C)O B152272 [0,1,0,0,0,0|1,0,1]=3 674 B6R0.2 CC(=CC(=O)C)O C109323 [0,1,0,0,0,0|1,0,1]=3 675 B6R0.2 CC(=CC(=O)C)O C140817 [0,1,0,0,0,0|1,0,1]=3 676 B6R0.2 CC(=CC(=O)C)O C283471 [0,1,0,0,0,0|1,0,1]=3 677 B6R0.2 CC(=CC(=O)C)O C486854 [0,1,0,0,0,0|1,0,1]=3 678 B6R0.2 CC(=CC(=O)C)O D302912 [0,1,0,0,0,0|1,0,1]=3 679 B6R0.2 CC(=CC(=O)C)O E302901 [0,1,0,0,0,0|1,0,1]=3 680 B6R0.2 CC(=CC(=O)C)O E347622 [0,1,0,0,0,0|1,0,1]=3 681 B6R0.2 CC(=CC(=O)C)O G304265 [0,1,0,0,0,0|1,0,1]=3 682 B6R0.2 CC(=CC(=O)C)O H107857 [0,1,0,0,0,0|1,0,1]=3 683 B6R0.2 CC(=CC(=O)C)O I138305 [0,1,0,0,0,0|1,0,1]=3 684 B6R0.2 CC(=CC(=O)C)O I294571 [0,1,0,0,0,0|1,0,1]=3 685 B6R0.2 CC(=CC(=O)C)O M106182 [0,1,0,0,0,0|1,0,1]=3 686 B6R0.2 CC(=CC(=O)C)O P101065 [0,1,0,0,0,0|1,0,1]=3 687 B6R0.2 CC(=CC(=O)C)O P119025 [0,1,0,0,0,0|1,0,1]=3 688 B6R0.2 CC(=CC(=O)C)O P119026 [0,1,0,0,0,0|1,0,1]=3 689 B6R0.2 CC(=CC(=O)C)O P293928 [0,1,0,0,0,0|1,0,1]=3 690 B6R0.2 CC(=CC(=O)C)O R118502 [0,1,0,0,0,0|1,0,1]=3 691 B6R0.2 CC(=CC(=O)C)O R118539 [0,1,0,0,0,0|1,0,1]=3 692 B6R0.2 CC(=CC(=O)C)O R118540 [0,1,0,0,0,0|1,0,1]=3 693 B6R0.2 CC(=CC(=O)C)O R294372 [0,1,0,0,0,0|1,0,1]=3 694 B6R0.2 CC(=CC(=O)C)O R639975 [0,1,0,0,0,0|1,0,1]=3 695 B6R0.2 CC(=CC(=O)C)O S298504 [0,1,0,0,0,0|1,0,1]=3 696 B6R0.2 CC(=CC(=O)C)O T283063 [0,1,0,0,0,0|1,0,1]=3 697 B6R0.2 CC(=CC(=O)C)O T302818 [0,1,0,0,0,0|1,0,1]=3 698 B6R0.2 CC(=CC(=O)C)O T302908 [0,1,0,0,0,0|1,0,1]=3 699 B6R0.2 CC(=CC(=O)C)O V109324 [0,1,0,0,0,0|1,0,1]=3 700 B6R0.2 CC(=CC(=O)C)O V109325 [0,1,0,0,0,0|1,0,1]=3 701 B6R0.2 CC(=CC(=O)C)O Y191992 [0,1,0,0,0,0|1,0,1]=3 702 B6R0.2 CC(=CC(=O)C)O Y283039 [0,1,0,0,0,0|1,0,1]=3 703 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,1,0,0,0,0|1,0,1]=3 704 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,1,0,0,0,0|1,0,1]=3 705 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,1,0,0,0,0|1,0,1]=3 706 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,1,0,0,0,0|1,0,1]=3 707 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,1,0,0,0,0|1,0,1]=3 708 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,1,0,0,0,0|1,0,1]=3 709 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,1,0,0,0,0|1,0,1]=3 710 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,1,0,0,0,0|1,0,1]=3 711 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,1,0,0,0,0|1,0,1]=3 712 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,1,0,0,0,0|1,0,1]=3 713 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,1,0,0,0,0|1,0,1]=3 714 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,1,0,0,0,0|1,0,1]=3 715 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,1,0,0,0,0|1,0,1]=3 716 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,1,0,0,0,0|1,0,1]=3 717 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,1,0,0,0,0|1,0,1]=3 718 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,1,0,0,0,0|1,0,1]=3 719 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,1,0,0,0,0|1,0,1]=3 720 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,1,0,0,0,0|1,0,1]=3 721 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,1,0,0,0,0|1,0,1]=3 722 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,1,0,0,0,0|2,0,1]=4 723 B6R0.2 CC(=CC(=O)O)C D102028 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.2 CC(=O)CC(=O)C A110366 [0,1,0,0,0,0|1,0,0]=2 725 B6R0.2 CC(=O)CC(=O)C A110367 [0,1,0,0,0,0|1,0,0]=2 726 B6R0.2 CC(=O)CC(=O)C A110370 [0,1,0,0,0,0|1,0,0]=2 727 B6R0.2 CC(=O)CC(=O)N A194123 [0,1,0,0,0,0|2,0,0]=3 728 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,1,0,0,0,0|2,0,0]=3 729 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,1,0,0,0,0|2,0,0]=3 730 B6R0.2 CC(=O)CN(C)C D167514 [0,1,0,0,0,0|1,0,0]=2 731 B6R0.2 CC(=O)N=C(N)N A134062 [0,1,0,0,0,0|3,0,0]=4 732 B6R0.2 CC(=O)NC(=O)N A114125 [0,1,0,0,0,0|3,0,0]=4 733 B6R0.2 CC(=O)NC(=S)N A151428 [0,1,0,0,0,0|3,0,0]=4 734 B6R0.2 CC(=O)OC(=O)C A302240 [0,1,0,0,0,0|2,0,0]=3 735 B6R0.2 CC(=O)OC(=O)C A474130 [0,1,0,0,0,0|2,0,0]=3 736 B6R0.2 CC(=O)SC(=O)C A151355 [0,1,0,0,0,0|2,0,0]=3 737 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,1,0,0,0,0|1,0,1]=3 738 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,1,0,0,0,0|1,0,1]=3 739 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,1,0,0,0,0|1,0,1]=3 740 B6R0.2 CC(C)C=C(C)C D155423 [0,1,0,0,0,0|2,0,1]=4 741 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|1,0,0]=2 742 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|1,0,0]=2 743 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|1,0,0]=2 744 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|1,0,0]=2 745 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|1,0,0]=2 746 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|1,0,0]=2 747 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,0,0,0,0|2,0,0]=3 748 B6R0.2 CC(C)CC(=O)O I108280 [0,1,0,0,0,0|2,0,0]=3 749 B6R0.2 CC(C)CC(=O)O I108281 [0,1,0,0,0,0|2,0,0]=3 750 B6R0.2 CC(C)CC(=O)O I424338 [0,1,0,0,0,0|2,0,0]=3 751 B6R0.2 CC(C)CC(=O)O I432771 [0,1,0,0,0,0|2,0,0]=3 752 B6R0.2 CC(C)CC(C)C D155236 [0,1,0,0,0,0|2,0,1]=4 753 B6R0.2 CC(C)CC(C)N D154510 [0,1,0,0,0,0|2,0,1]=4 754 B6R0.2 CC(C)CC(C)O M104491 [0,1,0,0,0,0|1,0,2]=4 755 B6R0.2 CC(C)NC(=O)C N586389 [0,1,0,0,0,0|2,0,0]=3 756 B6R0.2 CC(C)OC(=O)C I103453 [0,1,0,0,0,0|2,0,0]=3 757 B6R0.2 CC(C)OC(=O)C I103454 [0,1,0,0,0,0|2,0,0]=3 758 B6R0.2 CC(C)OC(=O)C I103455 [0,1,0,0,0,0|2,0,0]=3 759 B6R0.2 CC(C)OC(=O)N I157610 [0,1,0,0,0,0|3,0,0]=4 760 B6R0.2 CC(CC(=O)O)Br B169132 [0,1,0,0,0,0|2,0,0]=3 761 B6R0.2 CC(CC(=O)O)Cl C153466 [0,1,0,0,0,0|2,0,0]=3 762 B6R0.2 CC(CC(=O)O)N A100948 [0,1,0,0,0,0|2,0,0]=3 763 B6R0.2 CC(CC(=O)O)N H117041 [0,1,0,0,0,0|2,0,0]=3 764 B6R0.2 CC(CC(=O)O)N R184127 [0,1,0,0,0,0|2,0,0]=3 765 B6R0.2 CC(CC(=O)O)N S193074 [0,1,0,0,0,0|2,0,0]=3 766 B6R0.2 CC(CC(=O)O)O P347707 [0,1,0,0,0,0|2,0,0]=3 767 B6R0.2 CC(CC(=O)O)O R304188 [0,1,0,0,0,0|2,0,0]=3 768 B6R0.2 CC(CC(=O)O)O R425172 [0,1,0,0,0,0|2,0,0]=3 769 B6R0.2 CC(CC(=O)O)O S161108 [0,1,0,0,0,0|2,0,0]=3 770 B6R0.2 CC(CC(=O)O)O S194215 [0,1,0,0,0,0|2,0,0]=3 771 B6R0.2 CC(CC(=O)[O-])O B301134 [0,1,0,0,0,0|2,0,0]=3 772 B6R0.2 CC(CC(=O)[O-])O H121822 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.2 CC(CC(=O)[O-])O X131756 [0,1,0,0,0,0|2,0,0]=3 774 B6R0.2 CC(CC(C)Br)Br D155303 [0,1,0,0,0,0|2,0,1]=4 775 B6R0.2 CC(CC(C)O)O R160958 [0,1,0,0,0,0|1,0,2]=4 776 B6R0.2 CC(CC(C)O)O S161001 [0,1,0,0,0,0|1,0,2]=4 777 B6R0.2 CC(CN(C)C)Cl C153815 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.2 CC(CN(C)C)O B282542 [0,1,0,0,0,0|1,0,2]=4 779 B6R0.2 CC(CN(C)C)O D155704 [0,1,0,0,0,0|1,0,2]=4 780 B6R0.2 CC(OC(=O)C)Br B303662 [0,1,0,0,0,0|2,0,0]=3 781 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,1,0,0,0,0|3,0,0]=4 782 B6R0.2 CN(C)CC(=O)O D115675 [0,1,0,0,0,0|2,0,0]=3 783 B6R0.2 CN(C)CC(=O)O N159831 [0,1,0,0,0,0|2,0,0]=3 784 B6R0.2 CN(C)CC(=O)O N420632 [0,1,0,0,0,0|2,0,0]=3 785 B6R0.2 CN(C)CN(C)C N159372 [0,1,0,0,0,0|3,0,0]=4 786 B6R0.3 C(#N)C(C(=O)N)N A479345 [0,1,0,0,0,0|3,0,0]=4 787 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [0,1,0,0,0,0|3,0,0]=4 788 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.3 C(C(C(=O)N)Br)Br D122847 [0,1,0,0,0,0|3,0,0]=4 790 B6R0.3 C(C(C(=O)N)N)O S134102 [0,1,0,0,0,0|3,0,0]=4 791 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,1,0,0,0,0|3,0,0]=4 792 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,1,0,0,0,0|3,0,0]=4 793 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,1,0,0,0,0|3,0,0]=4 794 B6R0.3 C(C(C(=O)O)N)N D102444 [0,1,0,0,0,0|3,0,0]=4 795 B6R0.3 C(C(C(=O)O)N)N D102445 [0,1,0,0,0,0|3,0,0]=4 796 B6R0.3 C(C(C(=O)O)N)N O105987 [0,1,0,0,0,0|3,0,0]=4 797 B6R0.3 C(C(C(=O)O)N)N S161147 [0,1,0,0,0,0|3,0,0]=4 798 B6R0.3 C(C(C(=O)O)N)O D423121 [0,1,0,0,0,0|3,0,0]=4 799 B6R0.3 C(C(C(=O)O)N)O D423225 [0,1,0,0,0,0|3,0,0]=4 800 B6R0.3 C(C(C(=O)O)N)O L424779 [0,1,0,0,0,0|3,0,0]=4 801 B6R0.3 C(C(C(=O)O)N)O L476400 [0,1,0,0,0,0|3,0,0]=4 802 B6R0.3 C(C(C(=O)O)N)O S103483 [0,1,0,0,0,0|3,0,0]=4 803 B6R0.3 C(C(C(=O)O)N)O S105977 [0,1,0,0,0,0|3,0,0]=4 804 B6R0.3 C(C(C(=O)O)N)O S108219 [0,1,0,0,0,0|3,0,0]=4 805 B6R0.3 C(C(C(=O)O)N)O S118658 [0,1,0,0,0,0|3,0,0]=4 806 B6R0.3 C(C(C(=O)O)N)O S137887 [0,1,0,0,0,0|3,0,0]=4 807 B6R0.3 C(C(C(=O)O)N)O S137888 [0,1,0,0,0,0|3,0,0]=4 808 B6R0.3 C(C(C(=O)O)N)O S432938 [0,1,0,0,0,0|3,0,0]=4 809 B6R0.3 C(C(C(=O)O)N)S C108237 [0,1,0,0,0,0|3,0,0]=4 810 B6R0.3 C(C(C(=O)O)N)S C108238 [0,1,0,0,0,0|3,0,0]=4 811 B6R0.3 C(C(C(=O)O)N)S C110184 [0,1,0,0,0,0|3,0,0]=4 812 B6R0.3 C(C(C(=O)O)N)S C110436 [0,1,0,0,0,0|3,0,0]=4 813 B6R0.3 C(C(C(=O)O)N)S C110437 [0,1,0,0,0,0|3,0,0]=4 814 B6R0.3 C(C(C(=O)O)N)S C113143 [0,1,0,0,0,0|3,0,0]=4 815 B6R0.3 C(C(C(=O)O)N)S C118575 [0,1,0,0,0,0|3,0,0]=4 816 B6R0.3 C(C(C(=O)O)N)S D304972 [0,1,0,0,0,0|3,0,0]=4 817 B6R0.3 C(C(C(=O)O)N)S L424532 [0,1,0,0,0,0|3,0,0]=4 818 B6R0.3 C(C(C(=O)O)N)S L424534 [0,1,0,0,0,0|3,0,0]=4 819 B6R0.3 C(C(C(=O)O)N)S L432833 [0,1,0,0,0,0|3,0,0]=4 820 B6R0.3 C(C(C(=O)O)N)S S161428 [0,1,0,0,0,0|3,0,0]=4 821 B6R0.3 C(C(C(=O)O)N)S S588042 [0,1,0,0,0,0|3,0,0]=4 822 B6R0.3 C(C(C(=O)O)O)N I123583 [0,1,0,0,0,0|3,0,0]=4 823 B6R0.3 C(C(C(=O)O)O)N S137278 [0,1,0,0,0,0|3,0,0]=4 824 B6R0.3 C(C(C(=O)O)O)O D278734 [0,1,0,0,0,0|3,0,0]=4 825 B6R0.3 CC(=C)C(=O)NC N159439 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.3 CC(=C)C(=O)NC N563684 [0,1,0,0,0,0|2,0,1]=4 827 B6R0.3 CC(=C)C(=O)OC M109623 [0,1,0,0,0,0|1,1,1]=4 828 B6R0.3 CC(=C)C(=O)OC M109626 [0,1,0,0,0,0|1,1,1]=4 829 B6R0.3 CC(=C)C(=O)OC M109629 [0,1,0,0,0,0|1,1,1]=4 830 B6R0.3 CC(=C)C(=O)OC P141442 [0,1,0,0,0,0|1,1,1]=4 831 B6R0.3 CC(=C)C(=O)OC P141443 [0,1,0,0,0,0|1,1,1]=4 832 B6R0.3 CC(=C)C(=O)OC P141444 [0,1,0,0,0,0|1,1,1]=4 833 B6R0.3 CC(=C)C(=O)OC P434521 [0,1,0,0,0,0|1,1,1]=4 834 B6R0.3 CC(=C)C(=O)OC P434523 [0,1,0,0,0,0|1,1,1]=4 835 B6R0.3 CC(=C)C(=O)OC P434524 [0,1,0,0,0,0|1,1,1]=4 836 B6R0.3 CC(=C)C(=O)OC P478276 [0,1,0,0,0,0|1,1,1]=4 837 B6R0.3 CC(=C)C(=O)OC P598682 [0,1,0,0,0,0|1,1,1]=4 838 B6R0.3 CC(=NO)C(=O)C D111028 [0,1,0,0,0,0|2,0,1]=4 839 B6R0.3 CC(=NO)C(=O)C D111029 [0,1,0,0,0,0|2,0,1]=4 840 B6R0.3 CC(=O)C(=O)CBr B185016 [0,1,0,0,0,0|2,0,1]=4 841 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,0,0,0,0|0,1,1]=3 842 B6R0.3 CC(=O)N(C)C=C N124471 [0,1,0,0,0,0|2,0,1]=4 843 B6R0.3 CC(=O)N(C)OC N159405 [0,1,0,0,0,0|1,1,0]=3 844 B6R0.3 CC(C(=O)O)NC I133832 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.3 CC(C(=O)O)NC I135858 [0,1,0,0,0,0|2,0,0]=3 846 B6R0.3 CC(C(=O)O)NC N303350 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.3 CC(C(=O)O)OC M193402 [0,1,0,0,0,0|1,1,0]=3 848 B6R0.3 CC(C(=O)O)OC P477810 [0,1,0,0,0,0|1,1,0]=3 849 B6R0.3 CC(C=C)C(=O)O M404731 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.3 CC(CBr)C(=O)O B135992 [0,1,0,0,0,0|3,0,0]=4 851 B6R0.3 CC(CN)C(=O)O D131745 [0,1,0,0,0,0|3,0,0]=4 852 B6R0.3 CC(CN)C(=O)O R340811 [0,1,0,0,0,0|3,0,0]=4 853 B6R0.3 CC(CN)C(=O)O S340803 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.3 CC(CO)C(=O)O R343446 [0,1,0,0,0,0|3,0,0]=4 855 B6R0.3 CC(CS)C(=O)O M158216 [0,1,0,0,0,0|3,0,0]=4 856 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,0,0,0,0|1,0,1]=3 857 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,0,0,0,0|1,0,1]=3 858 B6R0.3 CC=C(C)C(=O)Cl T161611 [0,1,0,0,0,0|2,0,1]=4 859 B6R0.3 CC=C(C)C(=O)O B137277 [0,1,0,0,0,0|2,0,1]=4 860 B6R0.3 CC=C(C)C(=O)O T107164 [0,1,0,0,0,0|2,0,1]=4 861 B6R0.3 CCC(=C)C(=O)O E477290 [0,1,0,0,0,0|2,0,1]=4 862 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,0,0,0,0|1,0,1]=3 863 B6R0.3 CCC(=O)C(=O)O K106253 [0,1,0,0,0,0|2,0,1]=4 864 B6R0.3 CCC(=O)C(=O)[O-] S161412 [0,1,0,0,0,0|2,0,1]=4 865 B6R0.3 CCC(C(=O)Br)Br B135808 [0,1,0,0,0,0|2,0,0]=3 866 B6R0.3 CCC(C(=O)C)S M102973 [0,1,0,0,0,0|1,0,0]=2 867 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,1,0,0,0,0|2,0,0]=3 868 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,1,0,0,0,0|2,0,0]=3 869 B6R0.3 CCC(C(=O)N)Cl B301389 [0,1,0,0,0,0|2,0,0]=3 870 B6R0.3 CCC(C(=O)N)N A119770 [0,1,0,0,0,0|2,0,0]=3 871 B6R0.3 CCC(C(=O)N)N A124384 [0,1,0,0,0,0|2,0,0]=3 872 B6R0.3 CCC(C(=O)O)Br B108037 [0,1,0,0,0,0|2,0,0]=3 873 B6R0.3 CCC(C(=O)O)Cl C153465 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.3 CCC(C(=O)O)Cl S161173 [0,1,0,0,0,0|2,0,0]=3 875 B6R0.3 CCC(C(=O)O)N A109788 [0,1,0,0,0,0|2,0,0]=3 876 B6R0.3 CCC(C(=O)O)N A111241 [0,1,0,0,0,0|2,0,0]=3 877 B6R0.3 CCC(C(=O)O)N A111260 [0,1,0,0,0,0|2,0,0]=3 878 B6R0.3 CCC(C(=O)O)N A414642 [0,1,0,0,0,0|2,0,0]=3 879 B6R0.3 CCC(C(=O)O)N D422924 [0,1,0,0,0,0|2,0,0]=3 880 B6R0.3 CCC(C(=O)O)O D298806 [0,1,0,0,0,0|2,0,0]=3 881 B6R0.3 CCC(C(=O)O)O S192800 [0,1,0,0,0,0|2,0,0]=3 882 B6R0.3 CCC(C(=O)[O-])O H101414 [0,1,0,0,0,0|2,0,0]=3 883 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|2,0,1]=4 884 B6R0.3 CCC(C)C(=O)C M158800 [0,1,0,0,0,0|1,0,0]=2 885 B6R0.3 CCC(C)C(=O)O I167890 [0,1,0,0,0,0|2,0,0]=3 886 B6R0.3 CCC(C)C(=O)O M107377 [0,1,0,0,0,0|2,0,0]=3 887 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|2,0,1]=4 888 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|2,0,1]=4 889 B6R0.3 CCN(C)C(=O)C N193140 [0,1,0,0,0,0|2,0,0]=3 890 B6R0.3 CCN(C)C(=O)Cl N159123 [0,1,0,0,0,0|3,0,0]=4 891 B6R0.3 CNC(=O)C(=O)O M588605 [0,1,0,0,0,0|2,0,1]=4 892 B6R0.3 COC(=O)C(=O)Cl M111140 [0,1,0,0,0,0|1,1,1]=4 893 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,1,0,0,0,0|3,0,0]=4 894 B6R0.4 C#CCCC(=O)O P133515 [0,1,0,0,0,0|2,0,1]=4 895 B6R0.4 C#CCNC(=O)N P160546 [0,1,0,0,0,0|2,0,1]=4 896 B6R0.4 C#CCOC(=O)Cl P468141 [0,1,0,0,0,0|2,0,1]=4 897 B6R0.4 C(C(=O)O)N=[N+]=[N-] A168121 [0,1,0,0,0,0|3,0,0]=4 898 B6R0.4 C(C(=O)O)NC=O N159822 [0,1,0,0,0,0|2,0,1]=4 899 B6R0.4 C(C=CC(=O)O)Br B152770 [0,1,0,0,0,0|2,0,1]=4 900 B6R0.4 C(C=CC(=O)O)O T341890 [0,1,0,0,0,0|2,0,1]=4 901 B6R0.4 C(CC(=O)Cl)CBr B102197 [0,1,0,0,0,0|2,0,0]=3 902 B6R0.4 C(CC(=O)Cl)CCl C109449 [0,1,0,0,0,0|2,0,0]=3 903 B6R0.4 C(CC(=O)N)CCl C168978 [0,1,0,0,0,0|2,0,0]=3 904 B6R0.4 C(CC(=O)O)C#N C191241 [0,1,0,0,0,0|2,0,1]=4 905 B6R0.4 C(CC(=O)O)CBr B106907 [0,1,0,0,0,0|2,0,0]=3 906 B6R0.4 C(CC(=O)O)CCl C134513 [0,1,0,0,0,0|2,0,0]=3 907 B6R0.4 C(CC(=O)O)CN A104200 [0,1,0,0,0,0|2,0,0]=3 908 B6R0.4 C(CC(=O)O)CN A293557 [0,1,0,0,0,0|2,0,0]=3 909 B6R0.4 C(CC(=O)O)CN A424756 [0,1,0,0,0,0|2,0,0]=3 910 B6R0.4 C(CC(=O)O)CN A468499 [0,1,0,0,0,0|2,0,0]=3 911 B6R0.4 C(CC(=O)O)CN A472038 [0,1,0,0,0,0|2,0,0]=3 912 B6R0.4 C(CC(=O)O)CN G276591 [0,1,0,0,0,0|2,0,0]=3 913 B6R0.4 C(CCl)NC(=O)N C153501 [0,1,0,0,0,0|3,0,0]=4 914 B6R0.4 C(CCl)OC(=O)Cl C136442 [0,1,0,0,0,0|3,0,0]=4 915 B6R0.4 C(CN)C[P+](=O)O A275461 [0,1,0,0,0,0|3,0,0]=4 916 B6R0.4 C(CO)NC(=O)N H136122 [0,1,0,0,0,0|3,0,0]=4 917 B6R0.4 C(C[N+](=O)[O-])CO N164462 [0,1,0,0,0,0|3,0,0]=4 918 B6R0.4 C=CCCC(=O)Cl P278805 [0,1,0,0,0,0|2,0,1]=4 919 B6R0.4 C=CCCC(=O)O P160582 [0,1,0,0,0,0|2,0,1]=4 920 B6R0.4 C=CCNC(=O)N A151231 [0,1,0,0,0,0|2,0,1]=4 921 B6R0.4 C=CCOC(=O)N A467193 [0,1,0,0,0,0|2,0,1]=4 922 B6R0.4 CC(=CCCBr)C B470663 [0,1,0,0,0,0|2,0,1]=4 923 B6R0.4 CC(=O)C=COC M113467 [0,1,0,0,0,0|0,1,1]=3 924 B6R0.4 CC(=O)C=COC M434875 [0,1,0,0,0,0|0,1,1]=3 925 B6R0.4 CC(=O)CCC=C H113634 [0,1,0,0,0,0|1,0,1]=3 926 B6R0.4 CC(=O)CCCBr B345087 [0,1,0,0,0,0|1,0,0]=2 927 B6R0.4 CC(=O)CCCCl C108070 [0,1,0,0,0,0|1,0,0]=2 928 B6R0.4 CC(=O)CCSC M135087 [0,1,0,0,0,0|0,0,0]=1 929 B6R0.4 CC(=O)NCC#N I170553 [0,1,0,0,0,0|2,0,0]=3 930 B6R0.4 CC(=O)NCCN A117219 [0,1,0,0,0,0|2,0,0]=3 931 B6R0.4 CC(=O)NCCO A112970 [0,1,0,0,0,0|2,0,0]=3 932 B6R0.4 CC(=O)NCCO A112971 [0,1,0,0,0,0|2,0,0]=3 933 B6R0.4 CC(=O)NCCS N347842 [0,1,0,0,0,0|2,0,0]=3 934 B6R0.4 CC(=O)OCC#C P304196 [0,1,0,0,0,0|1,0,1]=3 935 B6R0.4 CC(=O)OCC=C A107305 [0,1,0,0,0,0|1,0,1]=3 936 B6R0.4 CC(=O)OCCBr B102635 [0,1,0,0,0,0|2,0,0]=3 937 B6R0.4 CC(=O)OCCCl A140396 [0,1,0,0,0,0|2,0,0]=3 938 B6R0.4 CC(=O)OCCN A588049 [0,1,0,0,0,0|2,0,0]=3 939 B6R0.4 CC(=O)OCCO H156959 [0,1,0,0,0,0|2,0,0]=3 940 B6R0.4 CC(=O)SCCN T340735 [0,1,0,0,0,0|2,0,0]=3 941 B6R0.4 CC(C)CCCBr B152440 [0,1,0,0,0,0|2,0,1]=4 942 B6R0.4 CC(C)CCCO I136441 [0,1,0,0,0,0|2,0,1]=4 943 B6R0.4 CC(CCCBr)Br D155307 [0,1,0,0,0,0|2,0,1]=4 944 B6R0.4 CC(CCCO)O P171240 [0,1,0,0,0,0|1,0,2]=4 945 B6R0.4 CC=CCC(=O)O P165142 [0,1,0,0,0,0|2,0,0]=3 946 B6R0.4 CC=NNC(=O)N A151236 [0,1,0,0,0,0|3,0,0]=4 947 B6R0.4 CCC#CC(=O)O P137286 [0,1,0,0,0,0|2,0,1]=4 948 B6R0.4 CCC=CC(=O)O T162309 [0,1,0,0,0,0|2,0,1]=4 949 B6R0.4 CCCCC(=N)N D305243 [0,1,0,0,0,0|3,0,0]=4 950 B6R0.4 CCCCC(=O)Br V162931 [0,1,0,0,0,0|2,0,0]=3 951 B6R0.4 CCCCC(=O)C H105743 [0,1,0,0,0,0|1,0,0]=2 952 B6R0.4 CCCCC(=O)C H105744 [0,1,0,0,0,0|1,0,0]=2 953 B6R0.4 CCCCC(=O)C H111491 [0,1,0,0,0,0|1,0,0]=2 954 B6R0.4 CCCCC(=O)C H141140 [0,1,0,0,0,0|1,0,0]=2 955 B6R0.4 CCCCC(=O)Cl V107241 [0,1,0,0,0,0|2,0,0]=3 956 B6R0.4 CCCCC(=O)N V162967 [0,1,0,0,0,0|2,0,0]=3 957 B6R0.4 CCCCC(=O)O V108269 [0,1,0,0,0,0|2,0,0]=3 958 B6R0.4 CCCCC(=O)O V108270 [0,1,0,0,0,0|2,0,0]=3 959 B6R0.4 CCCCC(=O)O V108271 [0,1,0,0,0,0|2,0,0]=3 960 B6R0.4 CCCCC(=O)O V108272 [0,1,0,0,0,0|2,0,0]=3 961 B6R0.4 CCCCC(=O)O V302252 [0,1,0,0,0,0|2,0,0]=3 962 B6R0.4 CCCCC(=O)[O-] S194180 [0,1,0,0,0,0|2,0,0]=3 963 B6R0.4 CCCCC(C)C M158516 [0,1,0,0,0,0|2,0,1]=4 964 B6R0.4 CCCCC(C)Cl C153661 [0,1,0,0,0,0|2,0,1]=4 965 B6R0.4 CCCCC(C)N B301374 [0,1,0,0,0,0|2,0,1]=4 966 B6R0.4 CCCCC(C)O H105565 [0,1,0,0,0,0|1,0,2]=4 967 B6R0.4 CCCCC(C)O I170762 [0,1,0,0,0,0|1,0,2]=4 968 B6R0.4 CCCCC(C)O R588494 [0,1,0,0,0,0|1,0,2]=4 969 B6R0.4 CCCCN(C)C D108036 [0,1,0,0,0,0|3,0,0]=4 970 B6R0.4 CCCC[N+](=O)[O-] N300420 [0,1,0,0,0,0|3,0,0]=4 971 B6R0.4 CCCC[Sn](=O)O M107696 [0,1,0,0,0,0|3,0,0]=4 972 B6R0.4 CCCNC(=O)N P589707 [0,1,0,0,0,0|2,0,0]=3 973 B6R0.4 CCCNC(=S)N P356262 [0,1,0,0,0,0|2,1,0]=4 974 B6R0.4 CCCOC(=O)C P103882 [0,1,0,0,0,0|1,0,0]=2 975 B6R0.4 CCCOC(=O)C P103883 [0,1,0,0,0,0|1,0,0]=2 976 B6R0.4 CCCOC(=O)N P194271 [0,1,0,0,0,0|2,0,0]=3 977 B6R0.4 CCCSC(=O)C S161333 [0,1,0,0,0,0|1,0,0]=2 978 B6R0.4 CCCSC(C)C I157608 [0,1,0,0,0,0|2,0,1]=4 979 B6R0.4 CCNCC(=O)O N159193 [0,1,0,0,0,0|2,0,0]=3 980 B6R0.4 CCOCC(=O)Cl E293992 [0,1,0,0,0,0|1,1,0]=3 981 B6R0.4 CCOCC(=O)O E156174 [0,1,0,0,0,0|1,1,0]=3 982 B6R0.4 CCOCC(C)O E110143 [0,1,0,0,0,0|0,1,2]=4 983 B6R0.4 CCSCC(=O)O E300419 [0,1,0,0,0,0|1,0,0]=2 984 B6R0.4 CN(C)CCCBr B194072 [0,1,0,0,0,0|3,0,0]=4 985 B6R0.4 CN(C)CCCCl C353600 [0,1,0,0,0,0|3,0,0]=4 986 B6R0.4 CN(C)CCCCl D154697 [0,1,0,0,0,0|3,0,0]=4 987 B6R0.4 CN(C)CCCN D110909 [0,1,0,0,0,0|3,0,0]=4 988 B6R0.4 CN(C)CCCN N493682 [0,1,0,0,0,0|3,0,0]=4 989 B6R0.4 CN(C)CCCN N494190 [0,1,0,0,0,0|3,0,0]=4 990 B6R0.4 CN(C)CCCO D106344 [0,1,0,0,0,0|3,0,0]=4 991 B6R0.4 CNCCC(=O)O M183299 [0,1,0,0,0,0|2,0,0]=3 992 B6R0.4 CNCCN(C)C N159374 [0,1,0,0,0,0|3,0,0]=4 993 B6R0.4 CNCCN(C)C N192745 [0,1,0,0,0,0|3,0,0]=4 994 B6R0.4 COCCC(=O)O M169065 [0,1,0,0,0,0|1,1,0]=3 995 B6R0.4 CSCCC(=O)Cl M158416 [0,1,0,0,0,0|1,0,0]=2 996 B6R0.4 CSCCC(=O)O M158072 [0,1,0,0,0,0|1,0,0]=2 997 B6R0.5 CC(C)(CSC)N M588894 [0,1,0,0,0,0|1,0,1]=3 998 B6R0.5 CCCC(C)(C)C D106287 [0,1,0,0,0,0|2,0,1]=4 999 B6R0.5 CCCS(=O)(=O)Cl P137934 [0,1,0,0,0,0|3,0,0]=4 1000 B6R0.5 CCCS(=O)(=O)O P477137 [0,1,0,0,0,0|3,0,0]=4 1001 B6R0.5 CCCS(=O)(=O)[O-] S120540 [0,1,0,0,0,0|3,0,0]=4 1002 B6R0.5 CCCS(=O)(=O)[O-] S161104 [0,1,0,0,0,0|3,0,0]=4 1003 B6R0.5 CCCS(=O)(=O)[O-] S432583 [0,1,0,0,0,0|3,0,0]=4 1004 B6R0.5 CCC[N+](C)(C)C T162053 [0,1,0,0,0,0|3,0,0]=4 1005 B6R0.5 CCC[Si](C)(C)Cl C153294 [0,1,0,0,0,0|2,1,0]=4 1006 B6R0.5 CCC[Si](C)(Cl)Cl D349601 [0,1,0,0,0,0|2,1,0]=4 1007 B6R0.5 CCOS(=O)(=O)C E103933 [0,1,0,0,0,0|3,0,0]=4 1008 B6R0.5 COC[Si](C)(C)C M157801 [0,1,0,0,0,0|1,2,0]=4 1009 B6R0.5 CS(=O)(=O)CC#N M158302 [0,1,0,0,0,0|3,0,0]=4 1010 B6R0.5 CS(=O)(=O)CC=C A468089 [0,1,0,0,0,0|2,0,1]=4 1011 B6R0.5 CS(=O)(=O)CCBr B587566 [0,1,0,0,0,0|3,0,0]=4 1012 B6R0.5 CS(=O)(=O)CCN A130035 [0,1,0,0,0,0|3,0,0]=4 1013 B6R0.5 CS(=O)(=O)CCN M589262 [0,1,0,0,0,0|3,0,0]=4 1014 B6R0.5 CS(=O)(=O)CCO H157188 [0,1,0,0,0,0|3,0,0]=4 1015 B6R1.2 C1C=CC(=O)N1 D344952 [0,0,0,1,0,0|2,0,1]=4 1016 B6R1.2 C1C=CC(=O)O1 F107943 [0,0,0,1,0,0|2,0,1]=4 1017 B6R1.2 C1C=CC(=O)S1 H472400 [0,0,0,1,0,0|2,0,1]=4 1018 B6R1.2 C1C=NNC1=O H190747 [0,0,0,1,0,0|2,0,1]=4 1019 B6R1.2 C1CC(=N)SC1 I106793 [0,0,0,1,0,0|2,1,0]=4 1020 B6R1.2 C1CC(=N)SC1 I492458 [0,0,0,1,0,0|2,1,0]=4 1021 B6R1.2 C1CC(=NC1)N A151483 [0,0,0,1,0,0|3,0,0]=4 1022 B6R1.2 C1CC(=O)C=C1 C139450 [0,0,0,1,0,0|1,0,1]=3 1023 B6R1.2 C1CC(=O)NC1 P112692 [0,0,0,1,0,0|2,0,0]=3 1024 B6R1.2 C1CC(=O)NC1 P468968 [0,0,0,1,0,0|2,0,0]=3 1025 B6R1.2 C1CC(=O)SC1 T472178 [0,0,0,1,0,0|2,0,0]=3 1026 B6R1.2 C1CCC(=O)C1 C108566 [0,0,0,1,0,0|1,0,0]=2 1027 B6R1.2 C1CCC(=O)C1 C108567 [0,0,0,1,0,0|1,0,0]=2 1028 B6R1.2 C1CCC(=O)C1 C108568 [0,0,0,1,0,0|1,0,0]=2 1029 B6R1.2 C1CCC(=O)C1 C108569 [0,0,0,1,0,0|1,0,0]=2 1030 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|2,0,1]=4 1031 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|2,0,1]=4 1032 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|2,0,1]=4 1033 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|2,0,1]=4 1034 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|2,0,1]=4 1035 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|1,0,2]=4 1036 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|1,1,1]=4 1037 B6R1.2 C1CCS(=O)C1 T162808 [0,0,0,1,0,0|2,0,0]=3 1038 B6R1.2 C1CNC(=O)N1 I157588 [0,0,0,1,0,0|3,0,0]=4 1039 B6R1.2 C1CNC(=O)N1 I299072 [0,0,0,1,0,0|3,0,0]=4 1040 B6R1.2 C1CNCC1=O P176320 [0,0,0,1,0,0|1,0,0]=2 1041 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|2,0,1]=4 1042 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|2,0,1]=4 1043 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|2,0,1]=4 1044 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|2,0,1]=4 1045 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|2,0,1]=4 1046 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|2,0,1]=4 1047 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|1,0,2]=4 1048 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|1,0,2]=4 1049 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|1,0,2]=4 1050 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|1,0,2]=4 1051 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|1,0,2]=4 1052 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|1,0,2]=4 1053 B6R1.2 C1COC(=O)N1 O133460 [0,0,0,1,0,0|3,0,0]=4 1054 B6R1.2 C1COC(=O)O1 E105727 [0,0,0,1,0,0|3,0,0]=4 1055 B6R1.2 C1COC(=O)O1 E105728 [0,0,0,1,0,0|3,0,0]=4 1056 B6R1.2 C1COCC1=O T161567 [0,0,0,1,0,0|0,1,0]=2 1057 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|1,1,1]=4 1058 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|1,1,1]=4 1059 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|1,1,1]=4 1060 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|1,1,1]=4 1061 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|1,1,1]=4 1062 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|1,1,1]=4 1063 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|0,1,2]=4 1064 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|0,1,2]=4 1065 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|0,1,2]=4 1066 B6R1.2 C1CSC(=O)N1 T192435 [0,0,0,1,0,0|3,0,0]=4 1067 B6R1.2 C1CSCC1=O D106839 [0,0,0,1,0,0|0,0,0]=1 1068 B6R1.2 C=C1CCCC1 M158228 [0,0,0,1,0,0|2,0,0]=3 1069 B6R1.2 CC1=CCCC1 M158230 [0,0,0,1,0,0|2,0,0]=3 1070 B6R1.2 CC1=CSC=C1 M113676 [0,0,0,1,0,0|1,0,2]=4 1071 B6R1.2 CC1=CSC=N1 M103108 [0,0,0,1,0,0|1,0,2]=4 1072 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|2,0,0]=3 1073 B6R1.2 CC1=NCCN1 M158525 [0,0,0,1,0,0|3,0,0]=4 1074 B6R1.2 CC1=NCCO1 M158497 [0,0,0,1,0,0|2,0,1]=4 1075 B6R1.2 CC1=NCCS1 M103076 [0,0,0,1,0,0|2,1,0]=4 1076 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|2,0,1]=4 1077 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|2,0,1]=4 1078 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|2,0,1]=4 1079 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|2,0,1]=4 1080 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|2,0,1]=4 1081 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|2,0,1]=4 1082 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|2,0,1]=4 1083 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|1,0,2]=4 1084 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|1,0,2]=4 1085 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|1,0,2]=4 1086 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|1,0,2]=4 1087 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|1,1,1]=4 1088 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|2,0,1]=4 1089 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|1,1,1]=4 1090 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|0,1,2]=4 1091 B6R1.2 CN1CCCC1 M109523 [0,0,0,1,0,0|3,0,0]=4 1092 B6R1.3 CCCC1CO1 E156390 [0,0,0,1,0,0|1,0,2]=4 1093 B6R1.3 COCC1CO1 G156840 [0,0,0,1,0,0|0,1,2]=4 1094 B6R1.3 COCC1CO1 R160880 [0,0,0,1,0,0|0,1,2]=4 1095 B6R1.3 COCC1CO1 S139136 [0,0,0,1,0,0|0,1,2]=4 1096 B6R1.5 CC1CC(=O)O1 B152852 [0,0,0,1,0,0|2,0,0]=3 1097 B6R1.5 CN1CC(C1)O H586376 [0,0,0,1,0,0|1,0,2]=4 1098 B6R1.5 CN1CC(C1)O M175942 [0,0,0,1,0,0|1,0,2]=4 1099 B6R1.10 CC1(CCC1)N M174981 [0,0,0,1,0,0|2,0,1]=4 1100 B6R1.10 CC1(CCC1)O M491477 [0,0,0,1,0,0|1,0,2]=4 1101 B6R1.10 CC1(COC1)N M136750 [0,0,0,1,0,0|1,1,1]=4 1102 B6R1.10 CC1(COC1)O M174660 [0,0,0,1,0,0|0,1,2]=4 1103 B6R1.10 C[Si]1(CCC1)C D168803 [0,0,0,1,0,0|2,1,0]=4 1104 B6R1.10 C[Si]1(CCC1)Cl C168869 [0,0,0,1,0,0|2,1,0]=4 1105 B6R1.11 C1CC1C(=N)N C153636 [0,0,0,1,0,0|3,0,0]=4 1106 B6R1.11 C1CC1C(=O)Cl C133840 [0,0,0,1,0,0|2,0,0]=3 1107 B6R1.11 C1CC1C(=O)N C134392 [0,0,0,1,0,0|2,0,0]=3 1108 B6R1.11 C1CC1C(=O)O C106979 [0,0,0,1,0,0|2,0,0]=3 1109 B6R1.11 CC(=O)C1CC1 C108050 [0,0,0,1,0,0|1,0,0]=2 1110 B6R1.11 CC(C1CC1)N B300122 [0,0,0,1,0,0|2,0,1]=4 1111 B6R1.11 CC(C1CC1)N R587936 [0,0,0,1,0,0|2,0,1]=4 1112 B6R1.11 CC(C1CC1)N S175013 [0,0,0,1,0,0|2,0,1]=4 1113 B6R1.11 CC(C1CC1)O C153900 [0,0,0,1,0,0|1,0,2]=4 1114 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|0,1,1]=4 1115 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|0,1,1]=4 1116 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|0,1,1]=4 1117 B3R0.1 C(=O)NN F109757 [2,0,0,0,0,0|2,0,0]=4 1118 B3R0.1 C(CS)N C106201 [2,0,0,0,0,0|1,0,1]=4 1119 B3R0.1 C(CS)N C106461 [2,0,0,0,0,0|1,0,1]=4 1120 B3R0.1 C(CS)N C406662 [2,0,0,0,0,0|1,0,1]=4 1121 B3R0.1 C(CS)N C421874 [2,0,0,0,0,0|1,0,1]=4 1122 B3R0.1 C(CS)N C425002 [2,0,0,0,0,0|1,0,1]=4 1123 B3R0.1 C(CS)N E491887 [2,0,0,0,0,0|1,0,1]=4 1124 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|0,0,2]=4 1125 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|0,0,2]=4 1126 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|0,0,2]=4 1127 B3R0.1 C(CS)S E106222 [2,0,0,0,0,0|0,1,1]=4 1128 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|0,0,2]=4 1129 B3R0.1 C=CCBr A108658 [2,0,0,0,0,0|1,0,1]=4 1130 B3R0.1 C=CCCl A103820 [2,0,0,0,0,0|1,0,1]=4 1131 B3R0.1 C=CCCl A103821 [2,0,0,0,0,0|1,0,1]=4 1132 B3R0.1 C=CCCl A103822 [2,0,0,0,0,0|1,0,1]=4 1133 B3R0.1 C=CCCl A141152 [2,0,0,0,0,0|1,0,1]=4 1134 B3R0.1 C=CCI A109401 [2,0,0,0,0,0|1,0,1]=4 1135 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|1,0,1]=4 1136 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|1,0,1]=4 1137 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|1,0,1]=4 1138 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|1,0,1]=4 1139 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|1,0,1]=4 1140 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,1]=4 1141 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,1]=4 1142 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|1,1,0]=4 1143 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,0]=2 1144 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,0]=2 1145 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,1]=4 1146 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,1]=4 1147 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,1]=4 1148 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,1]=4 1149 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,1]=4 1150 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,1]=4 1151 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,1]=4 1152 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,1]=4 1153 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,1]=4 1154 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,1]=4 1155 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,1]=4 1156 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,1]=4 1157 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,1]=4 1158 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,1]=4 1159 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,0,2]=4 1160 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,0,2]=4 1161 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,0,2]=4 1162 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,0,2]=4 1163 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,0,2]=4 1164 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,0,2]=4 1165 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,0,2]=4 1166 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,0,2]=4 1167 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,0,2]=4 1168 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,0,1]=3 1169 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,0,1]=3 1170 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|0,0,2]=4 1171 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|0,0,2]=4 1172 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|0,0,2]=4 1173 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|0,0,2]=4 1174 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|0,0,2]=4 1175 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,0,2]=4 1176 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,0,2]=4 1177 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,0,2]=4 1178 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,0,1]=4 1179 B3R0.1 CCON E135458 [2,0,0,0,0,0|1,1,0]=4 1180 B3R0.1 CCSC E140654 [2,0,0,0,0,0|0,0,0]=2 1181 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|0,0,1]=3 1182 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|1,0,0]=3 1183 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|1,0,0]=3 1184 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|1,0,0]=3 1185 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|1,0,0]=3 1186 B3R0.1 CNOC D123576 [2,0,0,0,0,0|1,1,0]=4 1187 B3R0.1 COC=C P304875 [2,0,0,0,0,0|0,1,1]=4 1188 B3R0.1 COCBr B138143 [2,0,0,0,0,0|1,1,0]=4 1189 B3R0.1 CSC#N M158325 [2,0,0,0,0,0|1,0,1]=4 1190 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|1,0,0]=3 1191 B3R0.1 C[Se][Se]C D133995 [2,0,0,0,0,0|1,1,0]=4 1192 B3R0.2 C(=O)(N)N H106855 [2,0,0,0,0,0|2,0,0]=4 1193 B3R0.2 C(=O)(N)N U101479 [2,0,0,0,0,0|2,0,0]=4 1194 B3R0.2 C(=O)(N)N U101481 [2,0,0,0,0,0|2,0,0]=4 1195 B3R0.2 C(=O)(N)N U111897 [2,0,0,0,0,0|2,0,0]=4 1196 B3R0.2 C(=O)(N)N U111898 [2,0,0,0,0,0|2,0,0]=4 1197 B3R0.2 C(=O)(N)N U111899 [2,0,0,0,0,0|2,0,0]=4 1198 B3R0.2 C(=O)(N)N U111901 [2,0,0,0,0,0|2,0,0]=4 1199 B3R0.2 C(=O)(N)N U111902 [2,0,0,0,0,0|2,0,0]=4 1200 B3R0.2 C(=O)(N)N U111903 [2,0,0,0,0,0|2,0,0]=4 1201 B3R0.2 C(=O)(N)N U111904 [2,0,0,0,0,0|2,0,0]=4 1202 B3R0.2 C(=O)(N)N U119692 [2,0,0,0,0,0|2,0,0]=4 1203 B3R0.2 C(=O)(N)N U141075 [2,0,0,0,0,0|2,0,0]=4 1204 B3R0.2 C(=O)(N)N U304906 [2,0,0,0,0,0|2,0,0]=4 1205 B3R0.2 C(=O)(N)N U424822 [2,0,0,0,0,0|2,0,0]=4 1206 B3R0.2 C(=O)(N)N U471932 [2,0,0,0,0,0|2,0,0]=4 1207 B3R0.2 C(=O)(N)N U491109 [2,0,0,0,0,0|2,0,0]=4 1208 B3R0.2 C(=O)(N)[O-] A113918 [2,0,0,0,0,0|1,1,0]=4 1209 B3R0.2 C(=O)(O)[O-] A110536 [2,0,0,0,0,0|1,1,0]=4 1210 B3R0.2 C(=O)(O)[O-] A110537 [2,0,0,0,0,0|1,1,0]=4 1211 B3R0.2 C(=O)(O)[O-] A431332 [2,0,0,0,0,0|1,1,0]=4 1212 B3R0.2 C(=O)(O)[O-] A431333 [2,0,0,0,0,0|1,1,0]=4 1213 B3R0.2 C(=O)(O)[O-] C303357 [2,0,0,0,0,0|1,1,0]=4 1214 B3R0.2 C(=O)(O)[O-] P110485 [2,0,0,0,0,0|1,1,0]=4 1215 B3R0.2 C(=O)(O)[O-] P110487 [2,0,0,0,0,0|1,1,0]=4 1216 B3R0.2 C(=O)(O)[O-] P118601 [2,0,0,0,0,0|1,1,0]=4 1217 B3R0.2 C(=O)(O)[O-] P639954 [2,0,0,0,0,0|1,1,0]=4 1218 B3R0.2 C(=O)(O)[O-] S112331 [2,0,0,0,0,0|1,1,0]=4 1219 B3R0.2 C(=O)(O)[O-] S112334 [2,0,0,0,0,0|1,1,0]=4 1220 B3R0.2 C(=O)(O)[O-] S112335 [2,0,0,0,0,0|1,1,0]=4 1221 B3R0.2 C(=O)(O)[O-] S112337 [2,0,0,0,0,0|1,1,0]=4 1222 B3R0.2 C(=O)(O)[O-] S112338 [2,0,0,0,0,0|1,1,0]=4 1223 B3R0.2 C(=O)(O)[O-] S112339 [2,0,0,0,0,0|1,1,0]=4 1224 B3R0.2 C(=O)(O)[O-] S118660 [2,0,0,0,0,0|1,1,0]=4 1225 B3R0.2 C(=O)(O)[O-] S331496 [2,0,0,0,0,0|1,1,0]=4 1226 B3R0.2 C(=O)(O)[O-] S401669 [2,0,0,0,0,0|1,1,0]=4 1227 B3R0.2 C(=O)(O)[O-] S432108 [2,0,0,0,0,0|1,1,0]=4 1228 B3R0.2 C(=O)(O)[O-] S432109 [2,0,0,0,0,0|1,1,0]=4 1229 B3R0.2 C(=O)(O)[O-] S432111 [2,0,0,0,0,0|1,1,0]=4 1230 B3R0.2 C(=O)(O)[O-] S604571 [2,0,0,0,0,0|1,1,0]=4 1231 B3R0.2 C(=O)(O)[O-] S639888 [2,0,0,0,0,0|1,1,0]=4 1232 B3R0.2 C(=O)(O)[O-] T290608 [2,0,0,0,0,0|1,1,0]=4 1233 B3R0.2 C(=O)(O)[O-] Z113329 [2,0,0,0,0,0|1,1,0]=4 1234 B3R0.2 C(=O)([O-])[O-] A110371 [2,0,0,0,0,0|1,1,0]=4 1235 B3R0.2 C(=O)([O-])[O-] A110373 [2,0,0,0,0,0|1,1,0]=4 1236 B3R0.2 C(=O)([O-])[O-] A118825 [2,0,0,0,0,0|1,1,0]=4 1237 B3R0.2 C(=O)([O-])[O-] A291926 [2,0,0,0,0,0|1,1,0]=4 1238 B3R0.2 C(=O)([O-])[O-] A432782 [2,0,0,0,0,0|1,1,0]=4 1239 B3R0.2 C(=O)([O-])[O-] A485838 [2,0,0,0,0,0|1,1,0]=4 1240 B3R0.2 C(=O)([O-])[O-] B112362 [2,0,0,0,0,0|1,1,0]=4 1241 B3R0.2 C(=O)([O-])[O-] B112363 [2,0,0,0,0,0|1,1,0]=4 1242 B3R0.2 C(=O)([O-])[O-] B112364 [2,0,0,0,0,0|1,1,0]=4 1243 B3R0.2 C(=O)([O-])[O-] B112365 [2,0,0,0,0,0|1,1,0]=4 1244 B3R0.2 C(=O)([O-])[O-] B112366 [2,0,0,0,0,0|1,1,0]=4 1245 B3R0.2 C(=O)([O-])[O-] B112367 [2,0,0,0,0,0|1,1,0]=4 1246 B3R0.2 C(=O)([O-])[O-] B117838 [2,0,0,0,0,0|1,1,0]=4 1247 B3R0.2 C(=O)([O-])[O-] B139811 [2,0,0,0,0,0|1,1,0]=4 1248 B3R0.2 C(=O)([O-])[O-] C100153 [2,0,0,0,0,0|1,1,0]=4 1249 B3R0.2 C(=O)([O-])[O-] C100155 [2,0,0,0,0,0|1,1,0]=4 1250 B3R0.2 C(=O)([O-])[O-] C102101 [2,0,0,0,0,0|1,1,0]=4 1251 B3R0.2 C(=O)([O-])[O-] C102102 [2,0,0,0,0,0|1,1,0]=4 1252 B3R0.2 C(=O)([O-])[O-] C105060 [2,0,0,0,0,0|1,1,0]=4 1253 B3R0.2 C(=O)([O-])[O-] C105061 [2,0,0,0,0,0|1,1,0]=4 1254 B3R0.2 C(=O)([O-])[O-] C105063 [2,0,0,0,0,0|1,1,0]=4 1255 B3R0.2 C(=O)([O-])[O-] C105380 [2,0,0,0,0,0|1,1,0]=4 1256 B3R0.2 C(=O)([O-])[O-] C111980 [2,0,0,0,0,0|1,1,0]=4 1257 B3R0.2 C(=O)([O-])[O-] C111984 [2,0,0,0,0,0|1,1,0]=4 1258 B3R0.2 C(=O)([O-])[O-] C111985 [2,0,0,0,0,0|1,1,0]=4 1259 B3R0.2 C(=O)([O-])[O-] C111986 [2,0,0,0,0,0|1,1,0]=4 1260 B3R0.2 C(=O)([O-])[O-] C111987 [2,0,0,0,0,0|1,1,0]=4 1261 B3R0.2 C(=O)([O-])[O-] C111988 [2,0,0,0,0,0|1,1,0]=4 1262 B3R0.2 C(=O)([O-])[O-] C118654 [2,0,0,0,0,0|1,1,0]=4 1263 B3R0.2 C(=O)([O-])[O-] C118705 [2,0,0,0,0,0|1,1,0]=4 1264 B3R0.2 C(=O)([O-])[O-] C141292 [2,0,0,0,0,0|1,1,0]=4 1265 B3R0.2 C(=O)([O-])[O-] C193679 [2,0,0,0,0,0|1,1,0]=4 1266 B3R0.2 C(=O)([O-])[O-] C301706 [2,0,0,0,0,0|1,1,0]=4 1267 B3R0.2 C(=O)([O-])[O-] C301707 [2,0,0,0,0,0|1,1,0]=4 1268 B3R0.2 C(=O)([O-])[O-] C301708 [2,0,0,0,0,0|1,1,0]=4 1269 B3R0.2 C(=O)([O-])[O-] C301709 [2,0,0,0,0,0|1,1,0]=4 1270 B3R0.2 C(=O)([O-])[O-] C341739 [2,0,0,0,0,0|1,1,0]=4 1271 B3R0.2 C(=O)([O-])[O-] C432741 [2,0,0,0,0,0|1,1,0]=4 1272 B3R0.2 C(=O)([O-])[O-] C432743 [2,0,0,0,0,0|1,1,0]=4 1273 B3R0.2 C(=O)([O-])[O-] C432744 [2,0,0,0,0,0|1,1,0]=4 1274 B3R0.2 C(=O)([O-])[O-] D303484 [2,0,0,0,0,0|1,1,0]=4 1275 B3R0.2 C(=O)([O-])[O-] D340770 [2,0,0,0,0,0|1,1,0]=4 1276 B3R0.2 C(=O)([O-])[O-] E112966 [2,0,0,0,0,0|1,1,0]=4 1277 B3R0.2 C(=O)([O-])[O-] E304793 [2,0,0,0,0,0|1,1,0]=4 1278 B3R0.2 C(=O)([O-])[O-] F302419 [2,0,0,0,0,0|1,1,0]=4 1279 B3R0.2 C(=O)([O-])[O-] G349487 [2,0,0,0,0,0|1,1,0]=4 1280 B3R0.2 C(=O)([O-])[O-] H302201 [2,0,0,0,0,0|1,1,0]=4 1281 B3R0.2 C(=O)([O-])[O-] L101679 [2,0,0,0,0,0|1,1,0]=4 1282 B3R0.2 C(=O)([O-])[O-] L101681 [2,0,0,0,0,0|1,1,0]=4 1283 B3R0.2 C(=O)([O-])[O-] L101684 [2,0,0,0,0,0|1,1,0]=4 1284 B3R0.2 C(=O)([O-])[O-] L101685 [2,0,0,0,0,0|1,1,0]=4 1285 B3R0.2 C(=O)([O-])[O-] L105143 [2,0,0,0,0,0|1,1,0]=4 1286 B3R0.2 C(=O)([O-])[O-] L105146 [2,0,0,0,0,0|1,1,0]=4 1287 B3R0.2 C(=O)([O-])[O-] L118639 [2,0,0,0,0,0|1,1,0]=4 1288 B3R0.2 C(=O)([O-])[O-] L196236 [2,0,0,0,0,0|1,1,0]=4 1289 B3R0.2 C(=O)([O-])[O-] L424716 [2,0,0,0,0,0|1,1,0]=4 1290 B3R0.2 C(=O)([O-])[O-] L616481 [2,0,0,0,0,0|1,1,0]=4 1291 B3R0.2 C(=O)([O-])[O-] L616497 [2,0,0,0,0,0|1,1,0]=4 1292 B3R0.2 C(=O)([O-])[O-] M111694 [2,0,0,0,0,0|1,1,0]=4 1293 B3R0.2 C(=O)([O-])[O-] M111695 [2,0,0,0,0,0|1,1,0]=4 1294 B3R0.2 C(=O)([O-])[O-] M141071 [2,0,0,0,0,0|1,1,0]=4 1295 B3R0.2 C(=O)([O-])[O-] M303145 [2,0,0,0,0,0|1,1,0]=4 1296 B3R0.2 C(=O)([O-])[O-] M466608 [2,0,0,0,0,0|1,1,0]=4 1297 B3R0.2 C(=O)([O-])[O-] P111556 [2,0,0,0,0,0|1,1,0]=4 1298 B3R0.2 C(=O)([O-])[O-] P111558 [2,0,0,0,0,0|1,1,0]=4 1299 B3R0.2 C(=O)([O-])[O-] P111561 [2,0,0,0,0,0|1,1,0]=4 1300 B3R0.2 C(=O)([O-])[O-] P111562 [2,0,0,0,0,0|1,1,0]=4 1301 B3R0.2 C(=O)([O-])[O-] P111563 [2,0,0,0,0,0|1,1,0]=4 1302 B3R0.2 C(=O)([O-])[O-] P294003 [2,0,0,0,0,0|1,1,0]=4 1303 B3R0.2 C(=O)([O-])[O-] P299567 [2,0,0,0,0,0|1,1,0]=4 1304 B3R0.2 C(=O)([O-])[O-] P345539 [2,0,0,0,0,0|1,1,0]=4 1305 B3R0.2 C(=O)([O-])[O-] P399177 [2,0,0,0,0,0|1,1,0]=4 1306 B3R0.2 C(=O)([O-])[O-] P432993 [2,0,0,0,0,0|1,1,0]=4 1307 B3R0.2 C(=O)([O-])[O-] P475259 [2,0,0,0,0,0|1,1,0]=4 1308 B3R0.2 C(=O)([O-])[O-] P485460 [2,0,0,0,0,0|1,1,0]=4 1309 B3R0.2 C(=O)([O-])[O-] R105381 [2,0,0,0,0,0|1,1,0]=4 1310 B3R0.2 C(=O)([O-])[O-] R121990 [2,0,0,0,0,0|1,1,0]=4 1311 B3R0.2 C(=O)([O-])[O-] S102039 [2,0,0,0,0,0|1,1,0]=4 1312 B3R0.2 C(=O)([O-])[O-] S102041 [2,0,0,0,0,0|1,1,0]=4 1313 B3R0.2 C(=O)([O-])[O-] S102043 [2,0,0,0,0,0|1,1,0]=4 1314 B3R0.2 C(=O)([O-])[O-] S102045 [2,0,0,0,0,0|1,1,0]=4 1315 B3R0.2 C(=O)([O-])[O-] S102046 [2,0,0,0,0,0|1,1,0]=4 1316 B3R0.2 C(=O)([O-])[O-] S104735 [2,0,0,0,0,0|1,1,0]=4 1317 B3R0.2 C(=O)([O-])[O-] S104737 [2,0,0,0,0,0|1,1,0]=4 1318 B3R0.2 C(=O)([O-])[O-] S111733 [2,0,0,0,0,0|1,1,0]=4 1319 B3R0.2 C(=O)([O-])[O-] S111735 [2,0,0,0,0,0|1,1,0]=4 1320 B3R0.2 C(=O)([O-])[O-] S111736 [2,0,0,0,0,0|1,1,0]=4 1321 B3R0.2 C(=O)([O-])[O-] S111737 [2,0,0,0,0,0|1,1,0]=4 1322 B3R0.2 C(=O)([O-])[O-] S111738 [2,0,0,0,0,0|1,1,0]=4 1323 B3R0.2 C(=O)([O-])[O-] S111739 [2,0,0,0,0,0|1,1,0]=4 1324 B3R0.2 C(=O)([O-])[O-] S112589 [2,0,0,0,0,0|1,1,0]=4 1325 B3R0.2 C(=O)([O-])[O-] S112591 [2,0,0,0,0,0|1,1,0]=4 1326 B3R0.2 C(=O)([O-])[O-] S112592 [2,0,0,0,0,0|1,1,0]=4 1327 B3R0.2 C(=O)([O-])[O-] S113834 [2,0,0,0,0,0|1,1,0]=4 1328 B3R0.2 C(=O)([O-])[O-] S117544 [2,0,0,0,0,0|1,1,0]=4 1329 B3R0.2 C(=O)([O-])[O-] S119016 [2,0,0,0,0,0|1,1,0]=4 1330 B3R0.2 C(=O)([O-])[O-] S119487 [2,0,0,0,0,0|1,1,0]=4 1331 B3R0.2 C(=O)([O-])[O-] S141342 [2,0,0,0,0,0|1,1,0]=4 1332 B3R0.2 C(=O)([O-])[O-] S189038 [2,0,0,0,0,0|1,1,0]=4 1333 B3R0.2 C(=O)([O-])[O-] S283014 [2,0,0,0,0,0|1,1,0]=4 1334 B3R0.2 C(=O)([O-])[O-] S291927 [2,0,0,0,0,0|1,1,0]=4 1335 B3R0.2 C(=O)([O-])[O-] S291928 [2,0,0,0,0,0|1,1,0]=4 1336 B3R0.2 C(=O)([O-])[O-] S291929 [2,0,0,0,0,0|1,1,0]=4 1337 B3R0.2 C(=O)([O-])[O-] S291930 [2,0,0,0,0,0|1,1,0]=4 1338 B3R0.2 C(=O)([O-])[O-] S291931 [2,0,0,0,0,0|1,1,0]=4 1339 B3R0.2 C(=O)([O-])[O-] S291932 [2,0,0,0,0,0|1,1,0]=4 1340 B3R0.2 C(=O)([O-])[O-] S291933 [2,0,0,0,0,0|1,1,0]=4 1341 B3R0.2 C(=O)([O-])[O-] S291935 [2,0,0,0,0,0|1,1,0]=4 1342 B3R0.2 C(=O)([O-])[O-] S291943 [2,0,0,0,0,0|1,1,0]=4 1343 B3R0.2 C(=O)([O-])[O-] S399117 [2,0,0,0,0,0|1,1,0]=4 1344 B3R0.2 C(=O)([O-])[O-] S432174 [2,0,0,0,0,0|1,1,0]=4 1345 B3R0.2 C(=O)([O-])[O-] S432759 [2,0,0,0,0,0|1,1,0]=4 1346 B3R0.2 C(=O)([O-])[O-] S432760 [2,0,0,0,0,0|1,1,0]=4 1347 B3R0.2 C(=O)([O-])[O-] S432761 [2,0,0,0,0,0|1,1,0]=4 1348 B3R0.2 C(=O)([O-])[O-] S591270 [2,0,0,0,0,0|1,1,0]=4 1349 B3R0.2 C(=O)([O-])[O-] T302043 [2,0,0,0,0,0|1,1,0]=4 1350 B3R0.2 C(=O)([O-])[O-] T302044 [2,0,0,0,0,0|1,1,0]=4 1351 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,1]=4 1352 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|1,0,0]=3 1353 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|1,0,0]=3 1354 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|1,0,0]=3 1355 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|1,0,0]=3 1356 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|1,0,0]=3 1357 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|1,0,0]=3 1358 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|1,0,0]=3 1359 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|1,0,0]=3 1360 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|1,0,0]=3 1361 B3R0.2 CC(=N)N A107218 [2,0,0,0,0,0|2,0,0]=4 1362 B3R0.2 CC(=N)N A151335 [2,0,0,0,0,0|2,0,0]=4 1363 B3R0.2 CC(=N)N A405649 [2,0,0,0,0,0|2,0,0]=4 1364 B3R0.2 CC(=O)Br A109619 [2,0,0,0,0,0|1,0,0]=3 1365 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,0,0]=2 1366 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,0,0]=2 1367 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,0,0]=2 1368 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,0,0]=2 1369 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,0,0]=2 1370 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,0,0]=2 1371 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,0,0]=2 1372 B3R0.2 CC(=O)Cl A108662 [2,0,0,0,0,0|1,0,0]=3 1373 B3R0.2 CC(=O)Cl A108664 [2,0,0,0,0,0|1,0,0]=3 1374 B3R0.2 CC(=O)Cl A121289 [2,0,0,0,0,0|1,0,0]=3 1375 B3R0.2 CC(=O)Cl A140638 [2,0,0,0,0,0|1,0,0]=3 1376 B3R0.2 CC(=O)I A151620 [2,0,0,0,0,0|1,0,0]=3 1377 B3R0.2 CC(=O)N A108460 [2,0,0,0,0,0|1,0,0]=3 1378 B3R0.2 CC(=O)N A108461 [2,0,0,0,0,0|1,0,0]=3 1379 B3R0.2 CC(=O)N A108462 [2,0,0,0,0,0|1,0,0]=3 1380 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|0,1,0]=3 1381 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|0,1,0]=3 1382 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|0,1,0]=3 1383 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|0,1,0]=3 1384 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|0,1,0]=3 1385 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|0,1,0]=3 1386 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|0,1,0]=3 1387 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|0,1,0]=3 1388 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|0,1,0]=3 1389 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|0,1,0]=3 1390 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|0,1,0]=3 1391 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|0,1,0]=3 1392 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|0,1,0]=3 1393 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|0,1,0]=3 1394 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|0,1,0]=3 1395 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|0,1,0]=3 1396 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|0,1,0]=3 1397 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|0,1,0]=3 1398 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|0,1,0]=3 1399 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|0,1,0]=3 1400 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|0,1,0]=3 1401 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|0,1,0]=3 1402 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|0,1,0]=3 1403 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|0,1,0]=3 1404 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|0,1,0]=3 1405 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|0,1,0]=3 1406 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|0,1,0]=3 1407 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|0,1,0]=3 1408 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|0,1,0]=3 1409 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|0,1,0]=3 1410 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|0,1,0]=3 1411 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|0,1,0]=3 1412 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|0,1,0]=3 1413 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|0,1,0]=3 1414 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|0,1,0]=3 1415 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|0,1,0]=3 1416 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|0,1,0]=3 1417 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|0,1,0]=3 1418 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|0,0,0]=2 1419 B3R0.2 CC(=O)[O-] A111331 [2,0,0,0,0,0|0,1,0]=3 1420 B3R0.2 CC(=O)[O-] A112048 [2,0,0,0,0,0|0,1,0]=3 1421 B3R0.2 CC(=O)[O-] A112055 [2,0,0,0,0,0|0,1,0]=3 1422 B3R0.2 CC(=O)[O-] A112056 [2,0,0,0,0,0|0,1,0]=3 1423 B3R0.2 CC(=O)[O-] A112057 [2,0,0,0,0,0|0,1,0]=3 1424 B3R0.2 CC(=O)[O-] A112058 [2,0,0,0,0,0|0,1,0]=3 1425 B3R0.2 CC(=O)[O-] A112059 [2,0,0,0,0,0|0,1,0]=3 1426 B3R0.2 CC(=O)[O-] A112060 [2,0,0,0,0,0|0,1,0]=3 1427 B3R0.2 CC(=O)[O-] A112061 [2,0,0,0,0,0|0,1,0]=3 1428 B3R0.2 CC(=O)[O-] A121772 [2,0,0,0,0,0|0,1,0]=3 1429 B3R0.2 CC(=O)[O-] A294961 [2,0,0,0,0,0|0,1,0]=3 1430 B3R0.2 CC(=O)[O-] A294964 [2,0,0,0,0,0|0,1,0]=3 1431 B3R0.2 CC(=O)[O-] A433166 [2,0,0,0,0,0|0,1,0]=3 1432 B3R0.2 CC(=O)[O-] B102945 [2,0,0,0,0,0|0,1,0]=3 1433 B3R0.2 CC(=O)[O-] B102947 [2,0,0,0,0,0|0,1,0]=3 1434 B3R0.2 CC(=O)[O-] B102949 [2,0,0,0,0,0|0,1,0]=3 1435 B3R0.2 CC(=O)[O-] B303104 [2,0,0,0,0,0|0,1,0]=3 1436 B3R0.2 CC(=O)[O-] B303105 [2,0,0,0,0,0|0,1,0]=3 1437 B3R0.2 CC(=O)[O-] C100139 [2,0,0,0,0,0|0,1,0]=3 1438 B3R0.2 CC(=O)[O-] C100141 [2,0,0,0,0,0|0,1,0]=3 1439 B3R0.2 CC(=O)[O-] C105400 [2,0,0,0,0,0|0,1,0]=3 1440 B3R0.2 CC(=O)[O-] C106020 [2,0,0,0,0,0|0,1,0]=3 1441 B3R0.2 CC(=O)[O-] C106650 [2,0,0,0,0,0|0,1,0]=3 1442 B3R0.2 CC(=O)[O-] C106651 [2,0,0,0,0,0|0,1,0]=3 1443 B3R0.2 CC(=O)[O-] C108085 [2,0,0,0,0,0|0,1,0]=3 1444 B3R0.2 CC(=O)[O-] C108885 [2,0,0,0,0,0|0,1,0]=3 1445 B3R0.2 CC(=O)[O-] C108886 [2,0,0,0,0,0|0,1,0]=3 1446 B3R0.2 CC(=O)[O-] C110803 [2,0,0,0,0,0|0,1,0]=3 1447 B3R0.2 CC(=O)[O-] C110804 [2,0,0,0,0,0|0,1,0]=3 1448 B3R0.2 CC(=O)[O-] C110805 [2,0,0,0,0,0|0,1,0]=3 1449 B3R0.2 CC(=O)[O-] C110807 [2,0,0,0,0,0|0,1,0]=3 1450 B3R0.2 CC(=O)[O-] C118497 [2,0,0,0,0,0|0,1,0]=3 1451 B3R0.2 CC(=O)[O-] C118636 [2,0,0,0,0,0|0,1,0]=3 1452 B3R0.2 CC(=O)[O-] C118637 [2,0,0,0,0,0|0,1,0]=3 1453 B3R0.2 CC(=O)[O-] C131576 [2,0,0,0,0,0|0,1,0]=3 1454 B3R0.2 CC(=O)[O-] C153760 [2,0,0,0,0,0|0,1,0]=3 1455 B3R0.2 CC(=O)[O-] C197275 [2,0,0,0,0,0|0,1,0]=3 1456 B3R0.2 CC(=O)[O-] C305845 [2,0,0,0,0,0|0,1,0]=3 1457 B3R0.2 CC(=O)[O-] C433063 [2,0,0,0,0,0|0,1,0]=3 1458 B3R0.2 CC(=O)[O-] C433113 [2,0,0,0,0,0|0,1,0]=3 1459 B3R0.2 CC(=O)[O-] C472574 [2,0,0,0,0,0|0,1,0]=3 1460 B3R0.2 CC(=O)[O-] C485449 [2,0,0,0,0,0|0,1,0]=3 1461 B3R0.2 CC(=O)[O-] C616592 [2,0,0,0,0,0|0,1,0]=3 1462 B3R0.2 CC(=O)[O-] E347618 [2,0,0,0,0,0|0,1,0]=3 1463 B3R0.2 CC(=O)[O-] G302975 [2,0,0,0,0,0|0,1,0]=3 1464 B3R0.2 CC(=O)[O-] H283501 [2,0,0,0,0,0|0,1,0]=3 1465 B3R0.2 CC(=O)[O-] I157596 [2,0,0,0,0,0|0,1,0]=3 1466 B3R0.2 CC(=O)[O-] I192310 [2,0,0,0,0,0|0,1,0]=3 1467 B3R0.2 CC(=O)[O-] I432598 [2,0,0,0,0,0|0,1,0]=3 1468 B3R0.2 CC(=O)[O-] I432599 [2,0,0,0,0,0|0,1,0]=3 1469 B3R0.2 CC(=O)[O-] L102778 [2,0,0,0,0,0|0,1,0]=3 1470 B3R0.2 CC(=O)[O-] L102779 [2,0,0,0,0,0|0,1,0]=3 1471 B3R0.2 CC(=O)[O-] L105189 [2,0,0,0,0,0|0,1,0]=3 1472 B3R0.2 CC(=O)[O-] L105191 [2,0,0,0,0,0|0,1,0]=3 1473 B3R0.2 CC(=O)[O-] L105192 [2,0,0,0,0,0|0,1,0]=3 1474 B3R0.2 CC(=O)[O-] L106809 [2,0,0,0,0,0|0,1,0]=3 1475 B3R0.2 CC(=O)[O-] L106810 [2,0,0,0,0,0|0,1,0]=3 1476 B3R0.2 CC(=O)[O-] L118609 [2,0,0,0,0,0|0,1,0]=3 1477 B3R0.2 CC(=O)[O-] L118858 [2,0,0,0,0,0|0,1,0]=3 1478 B3R0.2 CC(=O)[O-] L168480 [2,0,0,0,0,0|0,1,0]=3 1479 B3R0.2 CC(=O)[O-] L189058 [2,0,0,0,0,0|0,1,0]=3 1480 B3R0.2 CC(=O)[O-] L196609 [2,0,0,0,0,0|0,1,0]=3 1481 B3R0.2 CC(=O)[O-] L331817 [2,0,0,0,0,0|0,1,0]=3 1482 B3R0.2 CC(=O)[O-] M108880 [2,0,0,0,0,0|0,1,0]=3 1483 B3R0.2 CC(=O)[O-] M108882 [2,0,0,0,0,0|0,1,0]=3 1484 B3R0.2 CC(=O)[O-] M108883 [2,0,0,0,0,0|0,1,0]=3 1485 B3R0.2 CC(=O)[O-] M108884 [2,0,0,0,0,0|0,1,0]=3 1486 B3R0.2 CC(=O)[O-] M131577 [2,0,0,0,0,0|0,1,0]=3 1487 B3R0.2 CC(=O)[O-] M168281 [2,0,0,0,0,0|0,1,0]=3 1488 B3R0.2 CC(=O)[O-] M302852 [2,0,0,0,0,0|0,1,0]=3 1489 B3R0.2 CC(=O)[O-] M433192 [2,0,0,0,0,0|0,1,0]=3 1490 B3R0.2 CC(=O)[O-] M587217 [2,0,0,0,0,0|0,1,0]=3 1491 B3R0.2 CC(=O)[O-] M615748 [2,0,0,0,0,0|0,1,0]=3 1492 B3R0.2 CC(=O)[O-] P100486 [2,0,0,0,0,0|0,1,0]=3 1493 B3R0.2 CC(=O)[O-] P108325 [2,0,0,0,0,0|0,1,0]=3 1494 B3R0.2 CC(=O)[O-] P108329 [2,0,0,0,0,0|0,1,0]=3 1495 B3R0.2 CC(=O)[O-] P108330 [2,0,0,0,0,0|0,1,0]=3 1496 B3R0.2 CC(=O)[O-] P111485 [2,0,0,0,0,0|0,1,0]=3 1497 B3R0.2 CC(=O)[O-] P111486 [2,0,0,0,0,0|0,1,0]=3 1498 B3R0.2 CC(=O)[O-] P160183 [2,0,0,0,0,0|0,1,0]=3 1499 B3R0.2 CC(=O)[O-] P283478 [2,0,0,0,0,0|0,1,0]=3 1500 B3R0.2 CC(=O)[O-] P283931 [2,0,0,0,0,0|0,1,0]=3 1501 B3R0.2 CC(=O)[O-] P299555 [2,0,0,0,0,0|0,1,0]=3 1502 B3R0.2 CC(=O)[O-] P299556 [2,0,0,0,0,0|0,1,0]=3 1503 B3R0.2 CC(=O)[O-] P639156 [2,0,0,0,0,0|0,1,0]=3 1504 B3R0.2 CC(=O)[O-] R102671 [2,0,0,0,0,0|0,1,0]=3 1505 B3R0.2 CC(=O)[O-] R283395 [2,0,0,0,0,0|0,1,0]=3 1506 B3R0.2 CC(=O)[O-] R304476 [2,0,0,0,0,0|0,1,0]=3 1507 B3R0.2 CC(=O)[O-] S104731 [2,0,0,0,0,0|0,1,0]=3 1508 B3R0.2 CC(=O)[O-] S104733 [2,0,0,0,0,0|0,1,0]=3 1509 B3R0.2 CC(=O)[O-] S111519 [2,0,0,0,0,0|0,1,0]=3 1510 B3R0.2 CC(=O)[O-] S111520 [2,0,0,0,0,0|0,1,0]=3 1511 B3R0.2 CC(=O)[O-] S111521 [2,0,0,0,0,0|0,1,0]=3 1512 B3R0.2 CC(=O)[O-] S111522 [2,0,0,0,0,0|0,1,0]=3 1513 B3R0.2 CC(=O)[O-] S112480 [2,0,0,0,0,0|0,1,0]=3 1514 B3R0.2 CC(=O)[O-] S116316 [2,0,0,0,0,0|0,1,0]=3 1515 B3R0.2 CC(=O)[O-] S116317 [2,0,0,0,0,0|0,1,0]=3 1516 B3R0.2 CC(=O)[O-] S116318 [2,0,0,0,0,0|0,1,0]=3 1517 B3R0.2 CC(=O)[O-] S116319 [2,0,0,0,0,0|0,1,0]=3 1518 B3R0.2 CC(=O)[O-] S116320 [2,0,0,0,0,0|0,1,0]=3 1519 B3R0.2 CC(=O)[O-] S118647 [2,0,0,0,0,0|0,1,0]=3 1520 B3R0.2 CC(=O)[O-] S118648 [2,0,0,0,0,0|0,1,0]=3 1521 B3R0.2 CC(=O)[O-] S118649 [2,0,0,0,0,0|0,1,0]=3 1522 B3R0.2 CC(=O)[O-] S118650 [2,0,0,0,0,0|0,1,0]=3 1523 B3R0.2 CC(=O)[O-] S118661 [2,0,0,0,0,0|0,1,0]=3 1524 B3R0.2 CC(=O)[O-] S121307 [2,0,0,0,0,0|0,1,0]=3 1525 B3R0.2 CC(=O)[O-] S299214 [2,0,0,0,0,0|0,1,0]=3 1526 B3R0.2 CC(=O)[O-] S299215 [2,0,0,0,0,0|0,1,0]=3 1527 B3R0.2 CC(=O)[O-] S301881 [2,0,0,0,0,0|0,1,0]=3 1528 B3R0.2 CC(=O)[O-] S301882 [2,0,0,0,0,0|0,1,0]=3 1529 B3R0.2 CC(=O)[O-] S305337 [2,0,0,0,0,0|0,1,0]=3 1530 B3R0.2 CC(=O)[O-] S306014 [2,0,0,0,0,0|0,1,0]=3 1531 B3R0.2 CC(=O)[O-] S331497 [2,0,0,0,0,0|0,1,0]=3 1532 B3R0.2 CC(=O)[O-] S335300 [2,0,0,0,0,0|0,1,0]=3 1533 B3R0.2 CC(=O)[O-] S339494 [2,0,0,0,0,0|0,1,0]=3 1534 B3R0.2 CC(=O)[O-] S421119 [2,0,0,0,0,0|0,1,0]=3 1535 B3R0.2 CC(=O)[O-] S431676 [2,0,0,0,0,0|0,1,0]=3 1536 B3R0.2 CC(=O)[O-] S431678 [2,0,0,0,0,0|0,1,0]=3 1537 B3R0.2 CC(=O)[O-] S431679 [2,0,0,0,0,0|0,1,0]=3 1538 B3R0.2 CC(=O)[O-] S431680 [2,0,0,0,0,0|0,1,0]=3 1539 B3R0.2 CC(=O)[O-] S434883 [2,0,0,0,0,0|0,1,0]=3 1540 B3R0.2 CC(=O)[O-] T303317 [2,0,0,0,0,0|0,1,0]=3 1541 B3R0.2 CC(=O)[O-] T304247 [2,0,0,0,0,0|0,1,0]=3 1542 B3R0.2 CC(=O)[O-] T331924 [2,0,0,0,0,0|0,1,0]=3 1543 B3R0.2 CC(=O)[O-] Z110777 [2,0,0,0,0,0|0,1,0]=3 1544 B3R0.2 CC(=O)[O-] Z110779 [2,0,0,0,0,0|0,1,0]=3 1545 B3R0.2 CC(=O)[O-] Z110780 [2,0,0,0,0,0|0,1,0]=3 1546 B3R0.2 CC(=O)[O-] Z110957 [2,0,0,0,0,0|0,1,0]=3 1547 B3R0.2 CC(=O)[O-] Z111245 [2,0,0,0,0,0|0,1,0]=3 1548 B3R0.2 CC(=O)[O-] Z119378 [2,0,0,0,0,0|0,1,0]=3 1549 B3R0.2 CC(=O)[O-] Z424741 [2,0,0,0,0,0|0,1,0]=3 1550 B3R0.2 CC(=O)[O-] Z424969 [2,0,0,0,0,0|0,1,0]=3 1551 B3R0.2 CC(=O)[O-] Z433041 [2,0,0,0,0,0|0,1,0]=3 1552 B3R0.2 CC(=O)[O-] Z434712 [2,0,0,0,0,0|0,1,0]=3 1553 B3R0.2 CC(=O)[O-] Z489311 [2,0,0,0,0,0|0,1,0]=3 1554 B3R0.2 CC(=S)N T104039 [2,0,0,0,0,0|1,0,1]=4 1555 B3R0.2 CC(=S)N T118452 [2,0,0,0,0,0|1,0,1]=4 1556 B3R0.2 CC(=S)N T425171 [2,0,0,0,0,0|1,0,1]=4 1557 B3R0.2 CC(=S)[O-] P106179 [2,0,0,0,0,0|0,0,2]=4 1558 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,1]=4 1559 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,1]=4 1560 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,1]=4 1561 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,1]=4 1562 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,1]=4 1563 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,1]=4 1564 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,1]=4 1565 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,1]=4 1566 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,1]=4 1567 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,1]=4 1568 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,0,2]=4 1569 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,0,2]=4 1570 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,0,2]=4 1571 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,0,2]=4 1572 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,0,2]=4 1573 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,0,2]=4 1574 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,0,2]=4 1575 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,0,2]=4 1576 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,0,2]=4 1577 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,0,2]=4 1578 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,0,2]=4 1579 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,0,2]=4 1580 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,0,2]=4 1581 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,0,2]=4 1582 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,0,2]=4 1583 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,0,2]=4 1584 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,0,2]=4 1585 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,1,1]=4 1586 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|1,0,1]=4 1587 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,0,2]=4 1588 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,0,2]=4 1589 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,0,2]=4 1590 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,0,2]=4 1591 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,0,2]=4 1592 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,0,2]=4 1593 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,0,2]=4 1594 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,0,2]=4 1595 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,0,2]=4 1596 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|2,0,0]=4 1597 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|2,0,0]=4 1598 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|2,0,0]=4 1599 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|2,0,0]=4 1600 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|2,0,0]=4 1601 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|2,0,0]=4 1602 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|2,0,0]=4 1603 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|2,0,0]=4 1604 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,0,1]=4 1605 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,0]=3 1606 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,0]=3 1607 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,0]=3 1608 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,0]=3 1609 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,0]=3 1610 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,0]=3 1611 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,0]=3 1612 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,0]=3 1613 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,0]=3 1614 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,0]=3 1615 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,0]=3 1616 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,0]=3 1617 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,0]=3 1618 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,0]=3 1619 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,0]=3 1620 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,0]=3 1621 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,0]=3 1622 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,0]=3 1623 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,0]=3 1624 B3R0.2 CS(=O)Cl M589856 [2,0,0,0,0,0|2,0,0]=4 1625 B3R0.2 CS(=O)[O-] S161089 [2,0,0,0,0,0|1,1,0]=4 1626 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 1627 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|1,0,1]=4 1628 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|1,0,1]=4 1629 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|2,0,0]=4 1630 B3R0.2 C[N+](=O)[O-] N102268 [2,0,0,0,0,0|1,1,0]=4 1631 B3R0.2 C[N+](=O)[O-] N109661 [2,0,0,0,0,0|1,1,0]=4 1632 B3R0.2 C[N+](=O)[O-] N109662 [2,0,0,0,0,0|1,1,0]=4 1633 B3R0.2 C[N+](=O)[O-] N109664 [2,0,0,0,0,0|1,1,0]=4 1634 B3R0.2 C[N+](=O)[O-] N109665 [2,0,0,0,0,0|1,1,0]=4 1635 B3R0.2 C[N+](=O)[O-] N109666 [2,0,0,0,0,0|1,1,0]=4 1636 B3R0.2 C[N+](=O)[O-] N119666 [2,0,0,0,0,0|1,1,0]=4 1637 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,0,0]=3 1638 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 1639 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|2,0,0]=4 1640 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|2,0,0]=4 1641 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|2,0,0]=4 1642 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,1,0]=3 1643 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|2,0,0]=4 1644 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|2,0,0]=4 1645 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|2,0,0]=4 1646 B5R0.3 C(C(=O)CBr)Br D139292 [1,1,0,0,0,0|1,0,0]=3 1647 B5R0.3 C(C(=O)NN)O H192943 [1,1,0,0,0,0|1,1,0]=4 1648 B5R0.3 C(C(CS)O)O T109440 [1,1,0,0,0,0|0,0,2]=4 1649 B5R0.3 C(C(CS)O)O T109441 [1,1,0,0,0,0|0,0,2]=4 1650 B5R0.3 C(C(CS)O)O T109442 [1,1,0,0,0,0|0,0,2]=4 1651 B5R0.3 C(C(CS)O)O T141418 [1,1,0,0,0,0|0,0,2]=4 1652 B5R0.3 C(C(CS)S)O D106477 [1,1,0,0,0,0|0,1,1]=4 1653 B5R0.3 C(C(CS)S)O D424962 [1,1,0,0,0,0|0,1,1]=4 1654 B5R0.3 C=C(CCl)CCl C124660 [1,1,0,0,0,0|2,0,0]=4 1655 B5R0.3 C=C(CO)CO M158762 [1,1,0,0,0,0|1,1,0]=4 1656 B5R0.3 CC=C(C)C#N M158305 [1,1,0,0,0,0|1,0,1]=4 1657 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|0,0,1]=3 1658 B5R0.3 CCC(=C)C=O E189230 [1,1,0,0,0,0|0,0,1]=3 1659 B5R0.3 CCC(=C)CC E156179 [1,1,0,0,0,0|1,0,0]=3 1660 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|1,0,0]=3 1661 B5R0.3 CCC(=NO)C B105233 [1,1,0,0,0,0|0,0,1]=3 1662 B5R0.3 CCC(=NO)N P138620 [1,1,0,0,0,0|1,0,1]=4 1663 B5R0.3 CCC(=O)CC P103791 [1,1,0,0,0,0|0,0,0]=2 1664 B5R0.3 CCC(=O)CC P103792 [1,1,0,0,0,0|0,0,0]=2 1665 B5R0.3 CCC(=O)CC P103794 [1,1,0,0,0,0|0,0,0]=2 1666 B5R0.3 CCC(=O)CO H193640 [1,1,0,0,0,0|0,0,0]=2 1667 B5R0.3 CCC(=O)NC N159394 [1,1,0,0,0,0|0,0,0]=2 1668 B5R0.3 CCC(=O)NN P342062 [1,1,0,0,0,0|1,0,0]=3 1669 B5R0.3 CCC(=O)OC M110420 [1,1,0,0,0,0|0,0,0]=2 1670 B5R0.3 CCC(=O)OC M110421 [1,1,0,0,0,0|0,0,0]=2 1671 B5R0.3 CCC(=O)OC M110422 [1,1,0,0,0,0|0,0,0]=2 1672 B5R0.3 CCC(=O)OC M491732 [1,1,0,0,0,0|0,0,0]=2 1673 B5R0.3 CCC(=O)SC S404755 [1,1,0,0,0,0|0,0,0]=2 1674 B5R0.3 CCC(C)C#N M158304 [1,1,0,0,0,0|1,0,1]=4 1675 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|1,0,1]=4 1676 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|0,0,1]=3 1677 B5R0.3 CCC(C)CBr B120302 [1,1,0,0,0,0|1,0,1]=4 1678 B5R0.3 CCC(C)CBr B188983 [1,1,0,0,0,0|1,0,1]=4 1679 B5R0.3 CCC(C)CC M109051 [1,1,0,0,0,0|1,0,1]=4 1680 B5R0.3 CCC(C)CC M109052 [1,1,0,0,0,0|1,0,1]=4 1681 B5R0.3 CCC(C)CCl C153548 [1,1,0,0,0,0|1,0,1]=4 1682 B5R0.3 CCC(C)CCl S160982 [1,1,0,0,0,0|1,0,1]=4 1683 B5R0.3 CCC(C)CI I157547 [1,1,0,0,0,0|1,0,1]=4 1684 B5R0.3 CCC(C)CN S467250 [1,1,0,0,0,0|1,0,1]=4 1685 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|0,0,2]=4 1686 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|0,0,2]=4 1687 B5R0.3 CCC(C)CS M103069 [1,1,0,0,0,0|0,1,1]=4 1688 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|0,0,2]=4 1689 B5R0.3 CCC(CBr)Br D102336 [1,1,0,0,0,0|1,0,1]=4 1690 B5R0.3 CCC(CBr)O B152045 [1,1,0,0,0,0|0,0,2]=4 1691 B5R0.3 CCC(CC)Br B106965 [1,1,0,0,0,0|1,0,1]=4 1692 B5R0.3 CCC(CC)N A133949 [1,1,0,0,0,0|1,0,1]=4 1693 B5R0.3 CCC(CC)O P109359 [1,1,0,0,0,0|0,0,2]=4 1694 B5R0.3 CCC(CCl)Cl D155318 [1,1,0,0,0,0|1,0,1]=4 1695 B5R0.3 CCC(CN)O A151121 [1,1,0,0,0,0|0,0,2]=4 1696 B5R0.3 CCC(CO)N A106025 [1,1,0,0,0,0|1,0,1]=4 1697 B5R0.3 CCC(CO)N A107264 [1,1,0,0,0,0|1,0,1]=4 1698 B5R0.3 CCC(CO)N A107265 [1,1,0,0,0,0|1,0,1]=4 1699 B5R0.3 CCC(CO)O B153217 [1,1,0,0,0,0|0,0,2]=4 1700 B5R0.3 CCC(CO)O B300651 [1,1,0,0,0,0|0,0,2]=4 1701 B5R0.3 CCC(CO)O R160952 [1,1,0,0,0,0|0,0,2]=4 1702 B5R0.3 CCC(CO)O S161003 [1,1,0,0,0,0|0,0,2]=4 1703 B5R0.3 CCC(CS)S B152748 [1,1,0,0,0,0|0,1,1]=4 1704 B5R0.3 CCN(C)CC N159249 [1,1,0,0,0,0|2,0,0]=4 1705 B5R0.3 CCN(C)N=O N114391 [1,1,0,0,0,0|1,0,0]=3 1706 B5R0.3 CCN(CC)O D109383 [1,1,0,0,0,0|1,0,1]=4 1707 B5R0.3 CCN(CC)O N432573 [1,1,0,0,0,0|1,0,1]=4 1708 B5R0.3 CCS(=O)CC E589941 [1,1,0,0,0,0|1,0,0]=3 1709 B5R0.3 CC[P+](=O)CC D332476 [1,1,0,0,0,0|1,0,0]=3 1710 B5R0.3 CC[Si](C)CC D337339 [1,1,0,0,0,0|1,1,0]=4 1711 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|1,1,0]=4 1712 B5R0.3 CNC(=O)C=C N189941 [1,1,0,0,0,0|0,0,2]=4 1713 B5R0.3 CNC(=O)CBr B588815 [1,1,0,0,0,0|1,0,0]=3 1714 B5R0.3 CNC(=O)CCl C124467 [1,1,0,0,0,0|1,0,0]=3 1715 B5R0.3 CNC(=O)CN A182951 [1,1,0,0,0,0|1,0,0]=3 1716 B5R0.3 CNC(=O)CS M124593 [1,1,0,0,0,0|0,0,0]=2 1717 B5R0.3 CNC(=O)NC D104702 [1,1,0,0,0,0|1,0,0]=3 1718 B5R0.3 CNC(=S)NC D154881 [1,1,0,0,0,0|1,1,0]=4 1719 B5R0.3 COC(=O)C#C M106792 [1,1,0,0,0,0|0,0,2]=4 1720 B5R0.3 COC(=O)C=C M100029 [1,1,0,0,0,0|0,0,2]=4 1721 B5R0.3 COC(=O)C=C M100030 [1,1,0,0,0,0|0,0,2]=4 1722 B5R0.3 COC(=O)C=C M100032 [1,1,0,0,0,0|0,0,2]=4 1723 B5R0.3 COC(=O)C=C M100033 [1,1,0,0,0,0|0,0,2]=4 1724 B5R0.3 COC(=O)CBr M106900 [1,1,0,0,0,0|0,1,0]=3 1725 B5R0.3 COC(=O)CCl M104120 [1,1,0,0,0,0|0,1,0]=3 1726 B5R0.3 COC(=O)CCl M104121 [1,1,0,0,0,0|0,1,0]=3 1727 B5R0.3 COC(=O)CCl M305846 [1,1,0,0,0,0|0,1,0]=3 1728 B5R0.3 COC(=O)CN G105475 [1,1,0,0,0,0|0,1,0]=3 1729 B5R0.3 COC(=O)CO M101718 [1,1,0,0,0,0|0,1,0]=3 1730 B5R0.3 COC(=O)CS M103140 [1,1,0,0,0,0|0,0,0]=2 1731 B5R0.3 COC(=O)NN M106002 [1,1,0,0,0,0|1,1,0]=4 1732 B5R0.3 COC(=O)OC D110623 [1,1,0,0,0,0|0,1,0]=3 1733 B5R0.3 COC(=O)OC D110625 [1,1,0,0,0,0|0,1,0]=3 1734 B5R0.3 COC(=O)OC D119695 [1,1,0,0,0,0|0,1,0]=3 1735 B5R0.3 COC(=O)OC D294884 [1,1,0,0,0,0|0,1,0]=3 1736 B5R0.3 COC(=O)OC D433121 [1,1,0,0,0,0|0,1,0]=3 1737 B5R0.3 COC(=O)OC D433122 [1,1,0,0,0,0|0,1,0]=3 1738 B5R0.3 COC(=O)OC D433123 [1,1,0,0,0,0|0,1,0]=3 1739 B5R0.3 COS(=O)OC D106795 [1,1,0,0,0,0|1,1,0]=4 1740 B5R0.3 CO[P+](=O)OC D304802 [1,1,0,0,0,0|1,1,0]=4 1741 B5R0.3 CSC(=NN)N S183985 [1,1,0,0,0,0|2,0,0]=4 1742 B5R0.3 CSC(=S)SC D349451 [1,1,0,0,0,0|0,1,0]=3 1743 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|1,0,1]=4 1744 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|1,0,1]=4 1745 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|1,0,1]=4 1746 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|1,0,1]=4 1747 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|1,0,1]=4 1748 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|0,0,2]=4 1749 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|0,0,2]=4 1750 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|0,0,2]=4 1751 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|0,0,2]=4 1752 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|0,0,2]=4 1753 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|0,0,2]=4 1754 B5R0.4 CCC(C)(Cl)Cl D155312 [1,1,0,0,0,0|1,0,1]=4 1755 B5R0.4 CCS(=O)(=O)C E156277 [1,1,0,0,0,0|1,0,0]=3 1756 B5R0.4 CCS(=O)(=O)Cl E136203 [1,1,0,0,0,0|2,0,0]=4 1757 B5R0.4 CCS(=O)(=O)F E467402 [1,1,0,0,0,0|2,0,0]=4 1758 B5R0.4 CCS(=O)(=O)N E181678 [1,1,0,0,0,0|2,0,0]=4 1759 B5R0.4 CCS(=O)(=O)O E113372 [1,1,0,0,0,0|2,0,0]=4 1760 B5R0.4 CCS(=O)(=O)[O-] S161149 [1,1,0,0,0,0|2,0,0]=4 1761 B5R0.4 CC[N+](C)(C)C E156357 [1,1,0,0,0,0|2,0,0]=4 1762 B5R0.4 CC[Si](C)(C)Cl D155943 [1,1,0,0,0,0|1,1,0]=4 1763 B5R0.4 CNS(=O)(=O)C M121825 [1,1,0,0,0,0|2,0,0]=4 1764 B5R0.4 COS(=O)(=O)C M301750 [1,1,0,0,0,0|1,1,0]=4 1765 B5R0.4 CSS(=O)(=O)C S133305 [1,1,0,0,0,0|1,0,0]=3 1766 B5R0.5 C(C(=O)Cl)(Cl)Cl D106078 [1,1,0,0,0,0|2,0,0]=4 1767 B5R0.5 C(C(=O)N)(Cl)Cl D137671 [1,1,0,0,0,0|2,0,0]=4 1768 B5R0.5 C(C(=O)N)(F)F D184006 [1,1,0,0,0,0|2,0,0]=4 1769 B5R0.5 C(C(=O)O)(Br)Br D304215 [1,1,0,0,0,0|2,0,0]=4 1770 B5R0.5 C(C(=O)O)(Cl)Br B338271 [1,1,0,0,0,0|2,0,0]=4 1771 B5R0.5 C(C(=O)O)(Cl)Br K304415 [1,1,0,0,0,0|2,0,0]=4 1772 B5R0.5 C(C(=O)O)(Cl)Cl D104244 [1,1,0,0,0,0|2,0,0]=4 1773 B5R0.5 C(C(=O)O)(Cl)Cl D305467 [1,1,0,0,0,0|2,0,0]=4 1774 B5R0.5 C(C(=O)O)(Cl)Cl D472033 [1,1,0,0,0,0|2,0,0]=4 1775 B5R0.5 C(C(=O)O)(F)F D102056 [1,1,0,0,0,0|2,0,0]=4 1776 B5R0.5 C(C(=O)[O-])(Cl)Cl S161074 [1,1,0,0,0,0|2,0,0]=4 1777 B5R0.5 C(C(=O)[O-])(Cl)Cl S161233 [1,1,0,0,0,0|2,0,0]=4 1778 B5R0.5 C(C(=O)[O-])(Cl)Cl S422596 [1,1,0,0,0,0|2,0,0]=4 1779 B5R0.5 C(C(=O)[O-])(F)F L355087 [1,1,0,0,0,0|2,0,0]=4 1780 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|1,0,1]=4 1781 B5R0.5 CC(=C)C(=C)C D155426 [1,1,0,0,0,0|1,0,1]=4 1782 B5R0.5 CC(=C)C(=O)C I107938 [1,1,0,0,0,0|0,0,1]=3 1783 B5R0.5 CC(=C)C(=O)Cl M109517 [1,1,0,0,0,0|1,0,1]=4 1784 B5R0.5 CC(=C)C(=O)Cl M299463 [1,1,0,0,0,0|1,0,1]=4 1785 B5R0.5 CC(=C)C(=O)N M104042 [1,1,0,0,0,0|1,0,1]=4 1786 B5R0.5 CC(=C)C(=O)O M102640 [1,1,0,0,0,0|1,0,1]=4 1787 B5R0.5 CC(=C)C(=O)O M102641 [1,1,0,0,0,0|1,0,1]=4 1788 B5R0.5 CC(=C)C(=O)O M102642 [1,1,0,0,0,0|1,0,1]=4 1789 B5R0.5 CC(=C)C(=O)O M434201 [1,1,0,0,0,0|1,0,1]=4 1790 B5R0.5 CC(=C)C(=O)[O-] C347801 [1,1,0,0,0,0|1,0,1]=4 1791 B5R0.5 CC(=C)C(=O)[O-] P304402 [1,1,0,0,0,0|1,0,1]=4 1792 B5R0.5 CC(=C)C(=O)[O-] P580750 [1,1,0,0,0,0|1,0,1]=4 1793 B5R0.5 CC(=C)C(=O)[O-] S103167 [1,1,0,0,0,0|1,0,1]=4 1794 B5R0.5 CC(=C)C(=O)[O-] Z102681 [1,1,0,0,0,0|1,0,1]=4 1795 B5R0.5 CC(=C)C(O)=O P477951 [1,1,0,0,0,0|1,0,1]=4 1796 B5R0.5 CC(=O)C(=O)C B104601 [1,1,0,0,0,0|0,0,1]=3 1797 B5R0.5 CC(=O)C(=O)C B104602 [1,1,0,0,0,0|0,0,1]=3 1798 B5R0.5 CC(=O)C(=O)C B104603 [1,1,0,0,0,0|0,0,1]=3 1799 B5R0.5 CC(=O)C(=O)C B432715 [1,1,0,0,0,0|0,0,1]=3 1800 B5R0.5 CC(=O)C(=O)O P104136 [1,1,0,0,0,0|0,1,1]=4 1801 B5R0.5 CC(=O)C(=O)O P104138 [1,1,0,0,0,0|0,1,1]=4 1802 B5R0.5 CC(=O)C(=O)O P421121 [1,1,0,0,0,0|0,1,1]=4 1803 B5R0.5 CC(=O)C(=O)[O-] C135949 [1,1,0,0,0,0|0,1,1]=4 1804 B5R0.5 CC(=O)C(=O)[O-] L157766 [1,1,0,0,0,0|0,1,1]=4 1805 B5R0.5 CC(=O)C(=O)[O-] P332759 [1,1,0,0,0,0|0,1,1]=4 1806 B5R0.5 CC(=O)C(=O)[O-] S104174 [1,1,0,0,0,0|0,1,1]=4 1807 B5R0.5 CC(=O)C(=O)[O-] S345696 [1,1,0,0,0,0|0,1,1]=4 1808 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|1,0,0]=3 1809 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|1,0,0]=3 1810 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|1,0,0]=3 1811 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|1,0,0]=3 1812 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|1,0,0]=3 1813 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|1,0,0]=3 1814 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|1,0,0]=3 1815 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|1,0,0]=3 1816 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|1,1,0]=4 1817 B5R0.5 CC(C(=O)Br)Br B106918 [1,1,0,0,0,0|1,0,0]=3 1818 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|0,0,0]=2 1819 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|0,0,0]=2 1820 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|0,0,0]=2 1821 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|0,0,0]=2 1822 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|0,0,0]=2 1823 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|0,0,0]=2 1824 B5R0.5 CC(C(=O)Cl)Br B119905 [1,1,0,0,0,0|1,0,0]=3 1825 B5R0.5 CC(C(=O)Cl)Cl C102420 [1,1,0,0,0,0|1,0,0]=3 1826 B5R0.5 CC(C(=O)Cl)Cl C401784 [1,1,0,0,0,0|1,0,0]=3 1827 B5R0.5 CC(C(=O)N)Br B474352 [1,1,0,0,0,0|1,0,0]=3 1828 B5R0.5 CC(C(=O)N)Cl C169221 [1,1,0,0,0,0|1,0,0]=3 1829 B5R0.5 CC(C(=O)N)N A117207 [1,1,0,0,0,0|1,0,0]=3 1830 B5R0.5 CC(C(=O)N)N H589984 [1,1,0,0,0,0|1,0,0]=3 1831 B5R0.5 CC(C(=O)N)N R192946 [1,1,0,0,0,0|1,0,0]=3 1832 B5R0.5 CC(C(=O)N)O R139052 [1,1,0,0,0,0|1,0,0]=3 1833 B5R0.5 CC(C(=O)N)O S469819 [1,1,0,0,0,0|1,0,0]=3 1834 B5R0.5 CC(C(=O)O)Br B106080 [1,1,0,0,0,0|1,0,0]=3 1835 B5R0.5 CC(C(=O)O)Br B106920 [1,1,0,0,0,0|1,0,0]=3 1836 B5R0.5 CC(C(=O)O)Br R160937 [1,1,0,0,0,0|1,0,0]=3 1837 B5R0.5 CC(C(=O)O)Cl C106527 [1,1,0,0,0,0|1,0,0]=3 1838 B5R0.5 CC(C(=O)O)Cl C109467 [1,1,0,0,0,0|1,0,0]=3 1839 B5R0.5 CC(C(=O)O)Cl C140796 [1,1,0,0,0,0|1,0,0]=3 1840 B5R0.5 CC(C(=O)O)Cl R160939 [1,1,0,0,0,0|1,0,0]=3 1841 B5R0.5 CC(C(=O)O)F F469437 [1,1,0,0,0,0|1,0,0]=3 1842 B5R0.5 CC(C(=O)O)N A100051 [1,1,0,0,0,0|1,0,0]=3 1843 B5R0.5 CC(C(=O)O)N A108263 [1,1,0,0,0,0|1,0,0]=3 1844 B5R0.5 CC(C(=O)O)N A109095 [1,1,0,0,0,0|1,0,0]=3 1845 B5R0.5 CC(C(=O)O)N A117757 [1,1,0,0,0,0|1,0,0]=3 1846 B5R0.5 CC(C(=O)O)N A117758 [1,1,0,0,0,0|1,0,0]=3 1847 B5R0.5 CC(C(=O)O)N A118860 [1,1,0,0,0,0|1,0,0]=3 1848 B5R0.5 CC(C(=O)O)N D423466 [1,1,0,0,0,0|1,0,0]=3 1849 B5R0.5 CC(C(=O)O)N D472023 [1,1,0,0,0,0|1,0,0]=3 1850 B5R0.5 CC(C(=O)O)N D474151 [1,1,0,0,0,0|1,0,0]=3 1851 B5R0.5 CC(C(=O)O)N L424776 [1,1,0,0,0,0|1,0,0]=3 1852 B5R0.5 CC(C(=O)O)N S432937 [1,1,0,0,0,0|1,0,0]=3 1853 B5R0.5 CC(C(=O)O)O L107595 [1,1,0,0,0,0|1,0,0]=3 1854 B5R0.5 CC(C(=O)O)O L107596 [1,1,0,0,0,0|1,0,0]=3 1855 B5R0.5 CC(C(=O)O)O L108839 [1,1,0,0,0,0|1,0,0]=3 1856 B5R0.5 CC(C(=O)O)O L108841 [1,1,0,0,0,0|1,0,0]=3 1857 B5R0.5 CC(C(=O)O)O L122089 [1,1,0,0,0,0|1,0,0]=3 1858 B5R0.5 CC(C(=O)O)O L122090 [1,1,0,0,0,0|1,0,0]=3 1859 B5R0.5 CC(C(=O)O)O L291729 [1,1,0,0,0,0|1,0,0]=3 1860 B5R0.5 CC(C(=O)O)O L291730 [1,1,0,0,0,0|1,0,0]=3 1861 B5R0.5 CC(C(=O)O)O L291731 [1,1,0,0,0,0|1,0,0]=3 1862 B5R0.5 CC(C(=O)O)O L291732 [1,1,0,0,0,0|1,0,0]=3 1863 B5R0.5 CC(C(=O)O)O L425989 [1,1,0,0,0,0|1,0,0]=3 1864 B5R0.5 CC(C(=O)O)O P169115 [1,1,0,0,0,0|1,0,0]=3 1865 B5R0.5 CC(C(=O)O)O S161106 [1,1,0,0,0,0|1,0,0]=3 1866 B5R0.5 CC(C(=O)O)S T162374 [1,1,0,0,0,0|1,0,0]=3 1867 B5R0.5 CC(C(=O)[O-])O A303861 [1,1,0,0,0,0|1,0,0]=3 1868 B5R0.5 CC(C(=O)[O-])O C110506 [1,1,0,0,0,0|1,0,0]=3 1869 B5R0.5 CC(C(=O)[O-])O C304709 [1,1,0,0,0,0|1,0,0]=3 1870 B5R0.5 CC(C(=O)[O-])O D304649 [1,1,0,0,0,0|1,0,0]=3 1871 B5R0.5 CC(C(=O)[O-])O I350723 [1,1,0,0,0,0|1,0,0]=3 1872 B5R0.5 CC(C(=O)[O-])O L104219 [1,1,0,0,0,0|1,0,0]=3 1873 B5R0.5 CC(C(=O)[O-])O L133140 [1,1,0,0,0,0|1,0,0]=3 1874 B5R0.5 CC(C(=O)[O-])O M305218 [1,1,0,0,0,0|1,0,0]=3 1875 B5R0.5 CC(C(=O)[O-])O P113770 [1,1,0,0,0,0|1,0,0]=3 1876 B5R0.5 CC(C(=O)[O-])O P305067 [1,1,0,0,0,0|1,0,0]=3 1877 B5R0.5 CC(C(=O)[O-])O S108837 [1,1,0,0,0,0|1,0,0]=3 1878 B5R0.5 CC(C(=O)[O-])O S108838 [1,1,0,0,0,0|1,0,0]=3 1879 B5R0.5 CC(C(=O)[O-])O S301759 [1,1,0,0,0,0|1,0,0]=3 1880 B5R0.5 CC(C(=O)[O-])O S302327 [1,1,0,0,0,0|1,0,0]=3 1881 B5R0.5 CC(C(=O)[O-])O S334655 [1,1,0,0,0,0|1,0,0]=3 1882 B5R0.5 CC(C(=O)[O-])O S426464 [1,1,0,0,0,0|1,0,0]=3 1883 B5R0.5 CC(C(=O)[O-])O S465689 [1,1,0,0,0,0|1,0,0]=3 1884 B5R0.5 CC(C(C)Cl)Cl D155309 [1,1,0,0,0,0|1,0,1]=4 1885 B5R0.5 CC(C(C)O)O B103428 [1,1,0,0,0,0|0,0,2]=4 1886 B5R0.5 CC(C(C)O)O B424414 [1,1,0,0,0,0|0,0,2]=4 1887 B5R0.5 CC(C(C)O)O R135716 [1,1,0,0,0,0|0,0,2]=4 1888 B5R0.5 CC(C(C)O)O R422817 [1,1,0,0,0,0|0,0,2]=4 1889 B5R0.5 CC(C(C)O)O R470710 [1,1,0,0,0,0|0,0,2]=4 1890 B5R0.5 CC(C(C)O)O S160997 [1,1,0,0,0,0|0,0,2]=4 1891 B5R0.5 CC(C(C)S)O M102962 [1,1,0,0,0,0|0,0,2]=4 1892 B5R0.5 CC(C(C)S)O M158761 [1,1,0,0,0,0|0,0,2]=4 1893 B5R0.5 CC(C(C)S)S B102921 [1,1,0,0,0,0|0,1,1]=4 1894 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|1,0,0]=3 1895 B5R0.5 CC(C)C(=N)N I335550 [1,1,0,0,0,0|2,0,0]=4 1896 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,0,0]=2 1897 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,0,0]=2 1898 B5R0.5 CC(C)C(=O)Cl I107549 [1,1,0,0,0,0|1,0,0]=3 1899 B5R0.5 CC(C)C(=O)N I157612 [1,1,0,0,0,0|1,0,0]=3 1900 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|1,0,0]=3 1901 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|1,0,0]=3 1902 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|1,0,0]=3 1903 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|1,0,0]=3 1904 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|1,0,0]=3 1905 B5R0.5 CC(C)C(=O)[O-] P160181 [1,1,0,0,0,0|1,0,0]=3 1906 B5R0.5 CC(C)C(=S)N T140153 [1,1,0,0,0,0|1,1,0]=4 1907 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|1,0,1]=4 1908 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|1,0,1]=4 1909 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|1,0,1]=4 1910 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|1,0,1]=4 1911 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|1,0,1]=4 1912 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|0,0,2]=4 1913 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|0,1,1]=4 1914 B5R0.5 CC(C)N(C)C N159099 [1,1,0,0,0,0|2,0,0]=4 1915 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,1,0,0,0,0|2,0,0]=4 1916 B5R0.5 CC(C)[Si](C)C D356950 [1,1,0,0,0,0|1,1,0]=4 1917 B5R0.5 CN(C)C(=O)Cl D106525 [1,1,0,0,0,0|2,0,0]=4 1918 B5R0.5 CN(C)C(=O)N D155381 [1,1,0,0,0,0|2,0,0]=4 1919 B5R0.2 C(C#N)OC=O C153899 [1,1,0,0,0,0|2,0,0]=4 1920 B5R0.2 C=CCCCBr B107734 [1,1,0,0,0,0|1,0,1]=4 1921 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|1,0,1]=4 1922 B5R0.2 CC=CC=CC H113628 [1,1,0,0,0,0|1,0,1]=4 1923 B5R0.2 CC=CCC#N P338284 [1,1,0,0,0,0|2,0,0]=4 1924 B5R0.2 CC=CCC=C H157263 [1,1,0,0,0,0|1,0,1]=4 1925 B5R0.2 CC=CCC=C T162375 [1,1,0,0,0,0|1,0,1]=4 1926 B5R0.2 CCC=CC=O T161487 [1,1,0,0,0,0|1,0,1]=4 1927 B5R0.2 CCC=CCC C153487 [1,1,0,0,0,0|1,0,1]=4 1928 B5R0.2 CCC=CCC H157267 [1,1,0,0,0,0|1,0,1]=4 1929 B5R0.2 CCC=CCC T162372 [1,1,0,0,0,0|1,0,1]=4 1930 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|1,0,1]=4 1931 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|1,0,1]=4 1932 B5R0.2 CCCC#CC H157356 [1,1,0,0,0,0|1,0,1]=4 1933 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|1,0,0]=3 1934 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|1,0,0]=3 1935 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|1,0,0]=3 1936 B5R0.2 CCCC=NO B152406 [1,1,0,0,0,0|1,0,1]=4 1937 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|1,0,1]=4 1938 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|1,0,1]=4 1939 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|1,0,1]=4 1940 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|1,0,1]=4 1941 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|1,0,0]=3 1942 B5R0.2 CCCCCBr B104782 [1,1,0,0,0,0|1,0,1]=4 1943 B5R0.2 CCCCCBr B305762 [1,1,0,0,0,0|1,0,1]=4 1944 B5R0.2 CCCCCC H100107 [1,1,0,0,0,0|1,0,1]=4 1945 B5R0.2 CCCCCC H109653 [1,1,0,0,0,0|1,0,1]=4 1946 B5R0.2 CCCCCC H109654 [1,1,0,0,0,0|1,0,1]=4 1947 B5R0.2 CCCCCC H109656 [1,1,0,0,0,0|1,0,1]=4 1948 B5R0.2 CCCCCC H109659 [1,1,0,0,0,0|1,0,1]=4 1949 B5R0.2 CCCCCC H119662 [1,1,0,0,0,0|1,0,1]=4 1950 B5R0.2 CCCCCC H121283 [1,1,0,0,0,0|1,0,1]=4 1951 B5R0.2 CCCCCC H140380 [1,1,0,0,0,0|1,0,1]=4 1952 B5R0.2 CCCCCC H298923 [1,1,0,0,0,0|1,0,1]=4 1953 B5R0.2 CCCCCC N431441 [1,1,0,0,0,0|1,0,1]=4 1954 B5R0.2 CCCCCCl C109473 [1,1,0,0,0,0|1,0,1]=4 1955 B5R0.2 CCCCCCl C109474 [1,1,0,0,0,0|1,0,1]=4 1956 B5R0.2 CCCCCF F171115 [1,1,0,0,0,0|1,0,1]=4 1957 B5R0.2 CCCCCI I104798 [1,1,0,0,0,0|1,0,1]=4 1958 B5R0.2 CCCCCN A105343 [1,1,0,0,0,0|1,0,1]=4 1959 B5R0.2 CCCCCN P292685 [1,1,0,0,0,0|1,0,1]=4 1960 B5R0.2 CCCCCN P292697 [1,1,0,0,0,0|1,0,1]=4 1961 B5R0.2 CCCCCN P292701 [1,1,0,0,0,0|1,0,1]=4 1962 B5R0.2 CCCCCN P494144 [1,1,0,0,0,0|1,0,1]=4 1963 B5R0.2 CCCCCO N350217 [1,1,0,0,0,0|1,0,1]=4 1964 B5R0.2 CCCCCO P108125 [1,1,0,0,0,0|1,0,1]=4 1965 B5R0.2 CCCCCO P108126 [1,1,0,0,0,0|1,0,1]=4 1966 B5R0.2 CCCCCO P108127 [1,1,0,0,0,0|1,0,1]=4 1967 B5R0.2 CCCCCO P108128 [1,1,0,0,0,0|1,0,1]=4 1968 B5R0.2 CCCCCO P108129 [1,1,0,0,0,0|1,0,1]=4 1969 B5R0.2 CCCCCO P108130 [1,1,0,0,0,0|1,0,1]=4 1970 B5R0.2 CCCCCS A100028 [1,1,0,0,0,0|1,0,1]=4 1971 B5R0.2 CCCCOC B152821 [1,1,0,0,0,0|0,1,1]=4 1972 B5R0.2 CCCCSC B152508 [1,1,0,0,0,0|0,0,1]=3 1973 B5R0.2 CCCNCC N159096 [1,1,0,0,0,0|1,0,1]=4 1974 B5R0.2 CCCOC=C P137362 [1,1,0,0,0,0|1,0,1]=4 1975 B5R0.2 CCCOC=O P160055 [1,1,0,0,0,0|1,0,0]=3 1976 B5R0.2 CCCOCC E156162 [1,1,0,0,0,0|0,1,1]=4 1977 B5R0.2 CCCSCC E134963 [1,1,0,0,0,0|0,0,1]=3 1978 B5R0.2 CCCSSC M103114 [1,1,0,0,0,0|0,0,1]=3 1979 B5R0.2 CCOC=CC E122346 [1,1,0,0,0,0|0,1,1]=4 1980 B5R0.2 CCOCC=C A151091 [1,1,0,0,0,0|0,1,1]=4 1981 B5R0.2 CCSCCCl C102885 [1,1,0,0,0,0|1,0,1]=4 1982 B5R0.2 CCSCCN E170901 [1,1,0,0,0,0|1,0,1]=4 1983 B5R0.2 CCSCCN E300178 [1,1,0,0,0,0|1,0,1]=4 1984 B5R0.2 CCSCCO E156428 [1,1,0,0,0,0|0,0,2]=4 1985 B5R0.2 CCSSCC D140646 [1,1,0,0,0,0|1,0,1]=4 1986 B5R0.2 CNCCCN N104493 [1,1,0,0,0,0|1,0,1]=4 1987 B5R0.2 CNCCCO M133702 [1,1,0,0,0,0|1,0,1]=4 1988 B5R0.2 CNCCNC D106275 [1,1,0,0,0,0|1,0,1]=4 1989 B5R0.2 CNCCOC N159090 [1,1,0,0,0,0|0,1,1]=4 1990 B5R0.2 COCCCBr B136284 [1,1,0,0,0,0|0,1,1]=4 1991 B5R0.2 COCCCCl C108061 [1,1,0,0,0,0|0,1,1]=4 1992 B5R0.2 COCCCN M134485 [1,1,0,0,0,0|0,1,1]=4 1993 B5R0.2 COCCCN M587821 [1,1,0,0,0,0|0,1,1]=4 1994 B5R0.2 COCCCO M107732 [1,1,0,0,0,0|0,1,1]=4 1995 B5R0.2 COCCOC D299631 [1,1,0,0,0,0|0,1,1]=4 1996 B5R0.2 COCCOC E104387 [1,1,0,0,0,0|0,1,1]=4 1997 B5R0.2 COCCOC E104388 [1,1,0,0,0,0|0,1,1]=4 1998 B5R0.2 COCCOC E104391 [1,1,0,0,0,0|0,1,1]=4 1999 B5R0.2 COCCOC E119676 [1,1,0,0,0,0|0,1,1]=4 2000 B5R0.2 COCCOC I282413 [1,1,0,0,0,0|0,1,1]=4 2001 B5R0.2 COCCOC P107530 [1,1,0,0,0,0|0,1,1]=4 2002 B5R0.2 COCCOC P432396 [1,1,0,0,0,0|0,1,1]=4 2003 B5R0.2 COCCOC P432397 [1,1,0,0,0,0|0,1,1]=4 2004 B5R0.2 COCCOC P432398 [1,1,0,0,0,0|0,1,1]=4 2005 B5R0.2 CSCCC=O M109548 [1,1,0,0,0,0|0,0,0]=2 2006 B5R0.2 CSCCCN M158420 [1,1,0,0,0,0|0,0,1]=3 2007 B5R0.2 CSCCCO M102967 [1,1,0,0,0,0|0,0,1]=3 2008 B5R0.2 CSSCC=C M103119 [1,1,0,0,0,0|0,0,1]=3 2009 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,2,0,0,0,0|2,0,0]=4 2010 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,2,0,0,0,0|2,0,0]=4 2011 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,2,0,0,0,0|2,0,0]=4 2012 B7R0.2 CC(=CC(=O)OC)C M102001 [0,2,0,0,0,0|1,0,1]=4 2013 B7R0.2 CC(=CC(=O)OC)N A102015 [0,2,0,0,0,0|1,0,1]=4 2014 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,2,0,0,0,0|1,0,1]=4 2015 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,2,0,0,0,0|1,0,1]=4 2016 B7R0.2 CC(=O)CC(=O)OC M108598 [0,2,0,0,0,0|0,1,0]=3 2017 B7R0.2 CC(=O)CC(=O)OC M108599 [0,2,0,0,0,0|0,1,0]=3 2018 B7R0.2 CC(=O)CC(=O)OC M108601 [0,2,0,0,0,0|0,1,0]=3 2019 B7R0.2 CC(=O)NC(=O)NC A151230 [0,2,0,0,0,0|1,0,1]=4 2020 B7R0.2 CC(C)CC(=NO)C M302141 [0,2,0,0,0,0|1,0,1]=4 2021 B7R0.2 CC(C)CC(=O)OC M157988 [0,2,0,0,0,0|1,0,0]=3 2022 B7R0.2 CC(C)NC(=O)CBr B194928 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.2 CC(C)OC(=O)CCl I157694 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.2 CC(CC(=O)OC)N R190811 [0,2,0,0,0,0|1,0,0]=3 2025 B7R0.2 CC(CC(=O)OC)N S587134 [0,2,0,0,0,0|1,0,0]=3 2026 B7R0.2 CC(CC(=O)OC)O H124084 [0,2,0,0,0,0|1,0,0]=3 2027 B7R0.2 CC(CC(=O)OC)O H124101 [0,2,0,0,0,0|1,0,0]=3 2028 B7R0.2 CCC(=O)CC(=O)C H192611 [0,2,0,0,0,0|1,0,0]=3 2029 B7R0.2 CCC(=O)CC(C)C E156458 [0,2,0,0,0,0|1,0,0]=3 2030 B7R0.2 CCC(=O)OC(C)C I157496 [0,2,0,0,0,0|2,0,0]=4 2031 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|2,0,0]=4 2032 B7R0.2 CCC(C)OC(=O)C B108576 [0,2,0,0,0,0|1,0,0]=3 2033 B7R0.2 CCC(C)OC(=O)C B108578 [0,2,0,0,0,0|1,0,0]=3 2034 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,2,0,0,0,0|2,0,0]=4 2035 B7R0.2 CCC(CC(=O)O)N A191758 [0,2,0,0,0,0|2,0,0]=4 2036 B7R0.2 CCC(CC(=O)O)N I167296 [0,2,0,0,0,0|2,0,0]=4 2037 B7R0.2 CN(C)CC(=O)OC N304465 [0,2,0,0,0,0|1,0,0]=3 2038 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,2,0,0,0,0|1,1,0]=4 2039 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,2,0,0,0,0|1,1,0]=4 2040 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,2,0,0,0,0|1,1,0]=4 2041 B7R0.2 COC(=O)CC(=O)O M132669 [0,2,0,0,0,0|1,1,0]=4 2042 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,2,0,0,0,0|1,1,0]=4 2043 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [0,2,0,0,0,0|2,0,0]=4 2044 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,2,0,0,0,0|1,0,1]=4 2045 B7R0.3 C(CC(=O)NN)CO B301222 [0,2,0,0,0,0|2,0,0]=4 2046 B7R0.3 C=CCOC(=O)CCl A113257 [0,2,0,0,0,0|1,0,1]=4 2047 B7R0.3 CCC(=O)NCCO N158966 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.3 CCCCC(=C)CC E156236 [0,2,0,0,0,0|2,0,0]=4 2049 B7R0.3 CCCCC(=O)CC H103766 [0,2,0,0,0,0|1,0,0]=3 2050 B7R0.3 CCCCC(=O)NN P135113 [0,2,0,0,0,0|2,0,0]=4 2051 B7R0.3 CCCCC(=O)OC M108213 [0,2,0,0,0,0|1,0,0]=3 2052 B7R0.3 CCCCC(=O)OC M108214 [0,2,0,0,0,0|1,0,0]=3 2053 B7R0.3 CCCNC(=O)C=C N404954 [0,2,0,0,0,0|1,0,1]=4 2054 B7R0.3 CCCOC(=O)CC P111531 [0,2,0,0,0,0|1,0,0]=3 2055 B7R0.3 CCCOC(=O)CC P111532 [0,2,0,0,0,0|1,0,0]=3 2056 B7R0.3 COC(=O)C=CCBr M137638 [0,2,0,0,0,0|1,0,1]=4 2057 B7R0.3 COC(=O)C=CCBr M158855 [0,2,0,0,0,0|1,0,1]=4 2058 B7R0.3 COC(=O)CCC#N M135512 [0,2,0,0,0,0|1,0,1]=4 2059 B7R0.3 COC(=O)CCC#N M293045 [0,2,0,0,0,0|1,0,1]=4 2060 B7R0.3 COC(=O)CCC=C M338666 [0,2,0,0,0,0|1,0,1]=4 2061 B7R0.3 COC(=O)CCCBr M158832 [0,2,0,0,0,0|1,0,0]=3 2062 B7R0.3 COC(=O)CCCBr M492178 [0,2,0,0,0,0|1,0,0]=3 2063 B7R0.3 COC(=O)CCCCl C108118 [0,2,0,0,0,0|1,0,0]=3 2064 B7R0.3 COC(=O)CCCI M167258 [0,2,0,0,0,0|1,0,0]=3 2065 B7R0.3 COC(=O)CCCN M124081 [0,2,0,0,0,0|1,0,0]=3 2066 B7R0.3 COC(=O)CCSC M302466 [0,2,0,0,0,0|0,0,0]=2 2067 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [0,2,0,0,0,0|2,0,0]=4 2068 B7R0.3 COC(=O)OCC=C A136273 [0,2,0,0,0,0|1,0,1]=4 2069 B7R0.3 COC=CC(=O)OC M105075 [0,2,0,0,0,0|0,1,1]=4 2070 B7R0.3 COC=CC(=O)OC M135197 [0,2,0,0,0,0|0,1,1]=4 2071 B7R0.3 COCCC(=O)OC M134953 [0,2,0,0,0,0|0,1,0]=3 2072 B7R0.3 COCOC(=C)CCl C153297 [0,2,0,0,0,0|1,1,0]=4 2073 B7R0.3 CSCCC(CO)N D339853 [0,2,0,0,0,0|1,0,1]=4 2074 B7R0.3 CSCCC(CO)N M117138 [0,2,0,0,0,0|1,0,1]=4 2075 B7R0.3 CSCCC(CO)N S167794 [0,2,0,0,0,0|1,0,1]=4 2076 B7R0.5 C(CBr)C(C(=O)O)N A101191 [0,2,0,0,0,0|2,0,0]=4 2077 B7R0.5 C(CN)C(C(=O)O)N D102446 [0,2,0,0,0,0|2,0,0]=4 2078 B7R0.5 C(CN)C(C(=O)O)N D113499 [0,2,0,0,0,0|2,0,0]=4 2079 B7R0.5 C(CN)C(C(=O)O)N D117019 [0,2,0,0,0,0|2,0,0]=4 2080 B7R0.5 C(CN)C(C(=O)O)O H181248 [0,2,0,0,0,0|2,0,0]=4 2081 B7R0.5 C(CN)C(C(=O)O)O S161042 [0,2,0,0,0,0|2,0,0]=4 2082 B7R0.5 C(CO)C(C(=O)O)N H100541 [0,2,0,0,0,0|2,0,0]=4 2083 B7R0.5 C(CO)C(C(=O)O)N H101557 [0,2,0,0,0,0|2,0,0]=4 2084 B7R0.5 C(CO)C(C(=O)O)N H105430 [0,2,0,0,0,0|2,0,0]=4 2085 B7R0.5 C(CO)C(C(=O)O)N L425384 [0,2,0,0,0,0|2,0,0]=4 2086 B7R0.5 C(CS)C(C(=O)O)N H106297 [0,2,0,0,0,0|2,0,0]=4 2087 B7R0.5 C(CS)C(C(=O)O)N L134501 [0,2,0,0,0,0|2,0,0]=4 2088 B7R0.5 CC(=O)N(C)CCO N167555 [0,2,0,0,0,0|2,0,0]=4 2089 B7R0.5 CCC=C(C)C(=O)O M102542 [0,2,0,0,0,0|1,0,1]=4 2090 B7R0.5 CCC=C(C)C(=O)O M107371 [0,2,0,0,0,0|1,0,1]=4 2091 B7R0.5 CCCC(=O)C(=O)C H106696 [0,2,0,0,0,0|1,0,0]=3 2092 B7R0.5 CCCC(=O)C(=O)O O159954 [0,2,0,0,0,0|1,0,1]=4 2093 B7R0.5 CCCC(C(=O)O)Br B152768 [0,2,0,0,0,0|2,0,0]=4 2094 B7R0.5 CCCC(C(=O)O)N N100542 [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.5 CCCC(C(=O)O)N N106191 [0,2,0,0,0,0|2,0,0]=4 2096 B7R0.5 CCCC(C(=O)O)N N106215 [0,2,0,0,0,0|2,0,0]=4 2097 B7R0.5 CCCC(C(=O)O)O S193305 [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.5 CCCC(C(=O)[O-])O B301319 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|1,0,0]=3 2100 B7R0.5 CCCC(C)C(=O)O B300596 [0,2,0,0,0,0|1,0,1]=4 2101 B7R0.5 CCCC(C)C(=O)O M117868 [0,2,0,0,0,0|1,0,1]=4 2102 B7R0.5 CCCC(C)C(=O)O M427193 [0,2,0,0,0,0|1,0,1]=4 2103 B7R0.5 CCOC(=O)C(=C)C E103001 [0,2,0,0,0,0|2,0,0]=4 2104 B7R0.5 CCOC(=O)C(=C)C E103002 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.5 CCOC(=O)C(=C)C E492609 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.5 CCOC(=O)C(=O)C E113332 [0,2,0,0,0,0|0,1,1]=4 2107 B7R0.5 CCOC(=O)C(Br)Br E331036 [0,2,0,0,0,0|2,0,0]=4 2108 B7R0.5 CCOC(=O)C(C)Br E106089 [0,2,0,0,0,0|2,0,0]=4 2109 B7R0.5 CCOC(=O)C(C)Br E400066 [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.5 CCOC(=O)C(C)C E156123 [0,2,0,0,0,0|2,0,0]=4 2111 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,2,0,0,0,0|2,0,0]=4 2112 B7R0.5 CCOC(=O)C(C)F E135615 [0,2,0,0,0,0|2,0,0]=4 2113 B7R0.5 CCOC(=O)C(C)I E156364 [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.5 CCOC(=O)C(C)N A109010 [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.5 CCOC(=O)C(C)N A117183 [0,2,0,0,0,0|2,0,0]=4 2116 B7R0.5 CCOC(=O)C(C)N D304158 [0,2,0,0,0,0|2,0,0]=4 2117 B7R0.5 CCOC(=O)C(C)O E104551 [0,2,0,0,0,0|2,0,0]=4 2118 B7R0.5 CCOC(=O)C(C)O E104553 [0,2,0,0,0,0|2,0,0]=4 2119 B7R0.5 CCOC(=O)C(C)O E104554 [0,2,0,0,0,0|2,0,0]=4 2120 B7R0.5 CCOC(=O)C(C)O E108228 [0,2,0,0,0,0|2,0,0]=4 2121 B7R0.5 CCOC(=O)C(C)O E108230 [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.5 CCOC(=O)C(C)O E465744 [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|2,0,0]=4 2124 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [0,2,0,0,0,0|2,0,0]=4 2125 B7R0.5 CCOC(=O)C(F)Br E102105 [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.5 CCOC(=O)C(F)Cl E138797 [0,2,0,0,0,0|2,0,0]=4 2127 B7R0.5 CCOC(=O)C(F)F E101733 [0,2,0,0,0,0|2,0,0]=4 2128 B7R0.5 CCOC(=O)C(F)F E616466 [0,2,0,0,0,0|2,0,0]=4 2129 B7R0.5 CCOC(=O)C(F)I E331038 [0,2,0,0,0,0|2,0,0]=4 2130 B7R0.5 CCSC(C)C(=O)O E168418 [0,2,0,0,0,0|1,0,0]=3 2131 B7R0.5 CN(C)C(=O)CC#N C135281 [0,2,0,0,0,0|2,0,0]=4 2132 B7R0.5 CN(C)C(=O)COC M589066 [0,2,0,0,0,0|0,1,0]=3 2133 B7R0.5 CNCC(C(=O)O)N S132658 [0,2,0,0,0,0|2,0,0]=4 2134 B7R0.5 COCC(C(=O)O)Cl C133763 [0,2,0,0,0,0|1,1,0]=4 2135 B7R0.5 COCC(C(=O)O)N S135785 [0,2,0,0,0,0|1,1,0]=4 2136 B7R0.5 CSCC(C(=O)O)N M116973 [0,2,0,0,0,0|1,0,0]=3 2137 B7R0.5 C[Se]CC(C(=O)O)N S161277 [0,2,0,0,0,0|1,1,0]=4 2138 B7R0.7 CCCC(=O)CCC H103840 [0,2,0,0,0,0|1,0,0]=3 2139 B7R0.7 CCCC(=O)CCC H103841 [0,2,0,0,0,0|1,0,0]=3 2140 B7R0.7 CCCC(=O)OC=C V162944 [0,2,0,0,0,0|1,0,1]=4 2141 B7R0.7 CCCC(=O)OCC E101116 [0,2,0,0,0,0|1,0,0]=3 2142 B7R0.7 CCCC(=O)OCC E101117 [0,2,0,0,0,0|1,0,0]=3 2143 B7R0.7 CCCC(=O)OCC E101119 [0,2,0,0,0,0|1,0,0]=3 2144 B7R0.7 CCCC(=O)OCCl C153957 [0,2,0,0,0,0|1,0,0]=3 2145 B7R0.7 CCNC(=O)CC#N C181647 [0,2,0,0,0,0|2,0,0]=4 2146 B7R0.7 CCNC(=O)NCC D108032 [0,2,0,0,0,0|2,0,0]=4 2147 B7R0.7 CCOC(=O)C#CC E106247 [0,2,0,0,0,0|1,0,1]=4 2148 B7R0.7 CCOC(=O)C=CC E156252 [0,2,0,0,0,0|1,0,1]=4 2149 B7R0.7 CCOC(=O)CC#N E105739 [0,2,0,0,0,0|2,0,0]=4 2150 B7R0.7 CCOC(=O)CC#N E105740 [0,2,0,0,0,0|2,0,0]=4 2151 B7R0.7 CCOC(=O)CC=C E587504 [0,2,0,0,0,0|1,0,1]=4 2152 B7R0.7 CCOC(=O)CCBr E106956 [0,2,0,0,0,0|2,0,0]=4 2153 B7R0.7 CCOC(=O)CCCl E100652 [0,2,0,0,0,0|2,0,0]=4 2154 B7R0.7 CCOC(=O)CCI E185756 [0,2,0,0,0,0|2,0,0]=4 2155 B7R0.7 CCOC(=O)CCN A100434 [0,2,0,0,0,0|2,0,0]=4 2156 B7R0.7 CCOC(=O)CCO E185621 [0,2,0,0,0,0|2,0,0]=4 2157 B7R0.7 CCOC(=O)CCS E119585 [0,2,0,0,0,0|2,0,0]=4 2158 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,2,0,0,0,0|1,0,1]=4 2159 B7R0.7 CCOC(=O)CNC E115901 [0,2,0,0,0,0|1,0,0]=3 2160 B7R0.7 CCOC(=O)CNN E134414 [0,2,0,0,0,0|2,0,0]=4 2161 B7R0.7 CCOC(=O)COC E136304 [0,2,0,0,0,0|0,1,0]=3 2162 B7R0.7 CCOC(=O)CSC E156475 [0,2,0,0,0,0|0,0,0]=2 2163 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [0,2,0,0,0,0|1,0,1]=4 2164 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [0,2,0,0,0,0|1,0,1]=4 2165 B7R0.7 CCOC(=O)OCC D103040 [0,2,0,0,0,0|2,0,0]=4 2166 B7R0.7 CCOC(=O)OCCl C192930 [0,2,0,0,0,0|2,0,0]=4 2167 B7R0.10 CC(C(=O)OC)NC S587983 [0,2,0,0,0,0|1,0,0]=3 2168 B7R0.10 CC(CBr)C(=O)OC M158847 [0,2,0,0,0,0|2,0,0]=4 2169 B7R0.10 CC(CBr)C(=O)OC M409449 [0,2,0,0,0,0|2,0,0]=4 2170 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|2,0,0]=4 2171 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|2,0,0]=4 2172 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|2,0,0]=4 2173 B7R0.10 CC=C(C)C(=O)OC M158196 [0,2,0,0,0,0|1,0,1]=4 2174 B7R0.10 CCC(=O)C(=O)CC H102539 [0,2,0,0,0,0|1,0,1]=4 2175 B7R0.10 CCC(=O)N(C)OC N404710 [0,2,0,0,0,0|1,1,0]=4 2176 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|1,0,0]=3 2177 B7R0.10 CCC(C(=O)OC)Br M110203 [0,2,0,0,0,0|1,0,0]=3 2178 B7R0.10 CCC(C(=O)OC)N D134538 [0,2,0,0,0,0|1,0,0]=3 2179 B7R0.10 CCC(C(=O)OC)N S304011 [0,2,0,0,0,0|1,0,0]=3 2180 B7R0.10 CCC(C(=O)OC)O M588620 [0,2,0,0,0,0|1,0,0]=3 2181 B7R0.10 CCC(C(=O)OC)O M590030 [0,2,0,0,0,0|1,0,0]=3 2182 B7R0.10 CCC(C(=O)OC)O R590029 [0,2,0,0,0,0|1,0,0]=3 2183 B7R0.10 CCC(C)C(=O)OC M157989 [0,2,0,0,0,0|1,0,0]=3 2184 B7R0.10 CN(C(=O)CCl)OC C124448 [0,2,0,0,0,0|1,1,0]=4 2185 B7R0.10 CNC(=O)C(=O)NC I171177 [0,2,0,0,0,0|1,0,1]=4 2186 B7R0.10 COC(=O)C(=O)CBr M572938 [0,2,0,0,0,0|0,1,1]=4 2187 B7R0.10 COC(=O)C(=O)OC D103008 [0,2,0,0,0,0|0,1,1]=4 2188 B7R0.10 COC(=O)C(=O)OC D103009 [0,2,0,0,0,0|0,1,1]=4 2189 B7R0.10 COC(=O)C(CBr)Br M167887 [0,2,0,0,0,0|2,0,0]=4 2190 B7R0.10 COC(=O)C(CCl)Cl M121841 [0,2,0,0,0,0|2,0,0]=4 2191 B7R0.10 COC(=O)C(CCl)N M588771 [0,2,0,0,0,0|2,0,0]=4 2192 B7R0.10 COC(=O)C(CCl)N S134256 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.10 COC(=O)C(CO)N S101064 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.10 COC(=O)C(CO)N S109008 [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.10 COC(=O)C(CO)N S117181 [0,2,0,0,0,0|2,0,0]=4 2196 B7R0.10 COC(=O)C(CO)O R587787 [0,2,0,0,0,0|2,0,0]=4 2197 B7R0.10 COC(=O)C(CO)O S178884 [0,2,0,0,0,0|2,0,0]=4 2198 B7R0.10 COC(=O)C(CS)N C105474 [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.10 COC(=O)C(CS)N S133993 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.12 COC(CSC)OC M133839 [0,2,0,0,0,0|0,0,2]=4 2201 B7R0.9 CC(=C)CC(C)(C)C D106367 [0,2,0,0,0,0|2,0,0]=4 2202 B7R0.9 CC(=C)CC(C)(C)C D106368 [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.9 CC(=C)C[Si](C)(C)C T300066 [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,2,0,0,0,0|1,0,0]=3 2205 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,2,0,0,0,0|1,0,0]=3 2206 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,2,0,0,0,0|1,0,0]=3 2207 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,2,0,0,0,0|1,0,0]=3 2209 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,2,0,0,0,0|1,0,0]=3 2210 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,2,0,0,0,0|1,0,0]=3 2211 B7R0.9 CC(=O)CC(F)(F)F T478863 [0,2,0,0,0,0|2,0,0]=4 2212 B7R0.9 CC(=O)CS(=O)(=O)C M349447 [0,2,0,0,0,0|0,0,1]=3 2213 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,2,0,0,0,0|2,0,0]=4 2215 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,2,0,0,0,0|2,0,0]=4 2216 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,2,0,0,0,0|2,0,0]=4 2217 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,2,0,0,0,0|2,0,0]=4 2218 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,2,0,0,0,0|2,0,0]=4 2219 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,2,0,0,0,0|2,0,0]=4 2220 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [0,2,0,0,0,0|1,0,1]=4 2221 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,2,0,0,0,0|2,0,0]=4 2222 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,2,0,0,0,0|2,0,0]=4 2223 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [0,2,0,0,0,0|2,0,0]=4 2224 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [0,2,0,0,0,0|2,0,0]=4 2225 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [0,2,0,0,0,0|2,0,0]=4 2226 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [0,2,0,0,0,0|2,0,0]=4 2227 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,2,0,0,0,0|2,0,0]=4 2228 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,2,0,0,0,0|1,0,0]=3 2229 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,2,0,0,0,0|2,0,0]=4 2230 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,2,0,0,0,0|2,0,0]=4 2231 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,2,0,0,0,0|2,0,0]=4 2232 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,2,0,0,0,0|2,0,0]=4 2233 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,2,0,0,0,0|2,0,0]=4 2234 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,2,0,0,0,0|2,0,0]=4 2235 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,2,0,0,0,0|2,0,0]=4 2236 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,2,0,0,0,0|2,0,0]=4 2237 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,2,0,0,0,0|2,0,0]=4 2238 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,2,0,0,0,0|2,0,0]=4 2239 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,2,0,0,0,0|2,0,0]=4 2240 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,2,0,0,0,0|2,0,0]=4 2241 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,2,0,0,0,0|2,0,0]=4 2242 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,2,0,0,0,0|2,0,0]=4 2243 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,2,0,0,0,0|2,0,0]=4 2244 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,2,0,0,0,0|2,0,0]=4 2245 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,2,0,0,0,0|2,0,0]=4 2246 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,2,0,0,0,0|2,0,0]=4 2247 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,2,0,0,0,0|2,0,0]=4 2248 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,2,0,0,0,0|2,0,0]=4 2249 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,2,0,0,0,0|2,0,0]=4 2250 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,2,0,0,0,0|2,0,0]=4 2251 B7R0.13 CC(C)(C(=O)O)NC M464376 [0,2,0,0,0,0|2,0,0]=4 2252 B7R0.13 CCC(C(=O)O)(F)F D168890 [0,2,0,0,0,0|2,0,0]=4 2253 B7R0.13 CCC(C)(C(=O)O)N H353441 [0,2,0,0,0,0|2,0,0]=4 2254 B7R0.13 CCC(C)(C(=O)O)N I118303 [0,2,0,0,0,0|2,0,0]=4 2255 B7R0.13 CCC(C)(C(=O)O)O H133323 [0,2,0,0,0,0|2,0,0]=4 2256 B7R0.13 CCC(C)(C)C(=O)Cl D128094 [0,2,0,0,0,0|2,0,0]=4 2257 B7R0.13 CCC(C)(C)C(=O)O D102023 [0,2,0,0,0,0|2,0,0]=4 2258 B7R0.15 CC(=O)C(C#N)C#N A472216 [0,2,0,0,0,0|2,0,0]=4 2259 B7R0.15 CC(=O)C(OC)OC P135662 [0,2,0,0,0,0|0,1,0]=3 2260 B7R0.15 CCC(CC)C(=O)Cl E469016 [0,2,0,0,0,0|2,0,0]=4 2261 B7R0.15 CCC(CC)C(=O)O E105668 [0,2,0,0,0,0|2,0,0]=4 2262 B7R0.15 CCC(CC)C(=O)O E105669 [0,2,0,0,0,0|2,0,0]=4 2263 B7R0.15 CCN(CC)C(=O)C I136012 [0,2,0,0,0,0|2,0,0]=4 2264 B7R0.4 C#CCCCC(=O)O H111132 [0,2,0,0,0,0|2,0,0]=4 2265 B7R0.4 C(CC#N)CC(=O)O C184246 [0,2,0,0,0,0|2,0,0]=4 2266 B7R0.4 C(CCBr)CC(=O)Cl B138857 [0,2,0,0,0,0|2,0,0]=4 2267 B7R0.4 C(CCBr)CC(=O)O B106966 [0,2,0,0,0,0|2,0,0]=4 2268 B7R0.4 C(CCCl)CC(=O)Cl C102473 [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.4 C(CCCl)CC(=O)O C153468 [0,2,0,0,0,0|2,0,0]=4 2270 B7R0.4 C(CCN)CC(=O)O A107493 [0,2,0,0,0,0|2,0,0]=4 2271 B7R0.4 C(CCN)CC(=O)O A151151 [0,2,0,0,0,0|2,0,0]=4 2272 B7R0.4 C(CCN)CC(=O)O A151349 [0,2,0,0,0,0|2,0,0]=4 2273 B7R0.4 C(CCN)CC(=O)O A491891 [0,2,0,0,0,0|2,0,0]=4 2274 B7R0.4 C(CCN)CC(=O)O A491894 [0,2,0,0,0,0|2,0,0]=4 2275 B7R0.4 C(CCO)CC(=O)[O-] H184096 [0,2,0,0,0,0|2,0,0]=4 2276 B7R0.4 C(CCl)OCC(=O)N C193030 [0,2,0,0,0,0|1,1,0]=4 2277 B7R0.4 C(CNCC(=O)O)N A124646 [0,2,0,0,0,0|2,0,0]=4 2278 B7R0.4 C=CCCCC(=O)O H157078 [0,2,0,0,0,0|2,0,0]=4 2279 B7R0.4 CC(=O)CCCC#N K157732 [0,2,0,0,0,0|1,0,0]=3 2280 B7R0.4 CC(=O)CCCCCl C108058 [0,2,0,0,0,0|1,0,0]=3 2281 B7R0.4 CC(=O)OCCCCl C135233 [0,2,0,0,0,0|1,0,0]=3 2282 B7R0.4 CC(=O)OCCOC M106167 [0,2,0,0,0,0|0,1,0]=3 2283 B7R0.4 CC(=O)SCCCBr B333089 [0,2,0,0,0,0|1,0,0]=3 2284 B7R0.4 CC(C)CSCCO I157607 [0,2,0,0,0,0|1,0,1]=4 2285 B7R0.4 CC=CC=CC(=O)C H156931 [0,2,0,0,0,0|1,0,1]=4 2286 B7R0.4 CCC=CCC(=O)O H101494 [0,2,0,0,0,0|2,0,0]=4 2287 B7R0.4 CCCC=CC(=O)C H156932 [0,2,0,0,0,0|1,0,0]=3 2288 B7R0.4 CCCC=CC(=O)O H107513 [0,2,0,0,0,0|2,0,0]=4 2289 B7R0.4 CCCC=CC(=O)O H400070 [0,2,0,0,0,0|2,0,0]=4 2290 B7R0.4 CCCCCC(=C)C M158504 [0,2,0,0,0,0|2,0,0]=4 2291 B7R0.4 CCCCCC(=O)C H103803 [0,2,0,0,0,0|1,0,0]=3 2292 B7R0.4 CCCCCC(=O)C H103827 [0,2,0,0,0,0|1,0,0]=3 2293 B7R0.4 CCCCCC(=O)Cl H102419 [0,2,0,0,0,0|2,0,0]=4 2294 B7R0.4 CCCCCC(=O)Cl H130076 [0,2,0,0,0,0|2,0,0]=4 2295 B7R0.4 CCCCCC(=O)N H157108 [0,2,0,0,0,0|2,0,0]=4 2296 B7R0.4 CCCCCC(=O)O H103630 [0,2,0,0,0,0|2,0,0]=4 2297 B7R0.4 CCCCCC(=O)O H103631 [0,2,0,0,0,0|2,0,0]=4 2298 B7R0.4 CCCCCC(=O)O H103632 [0,2,0,0,0,0|2,0,0]=4 2299 B7R0.4 CCCCCC(=O)O H278778 [0,2,0,0,0,0|2,0,0]=4 2300 B7R0.4 CCCCCC(=O)O H432079 [0,2,0,0,0,0|2,0,0]=4 2301 B7R0.4 CCCCCC(=O)[O-] S161313 [0,2,0,0,0,0|2,0,0]=4 2302 B7R0.4 CCCCNC(=O)N B152704 [0,2,0,0,0,0|2,0,0]=4 2303 B7R0.4 CCCCOC(=O)C B116224 [0,2,0,0,0,0|1,0,0]=3 2304 B7R0.4 CCCCOC(=O)C B116225 [0,2,0,0,0,0|1,0,0]=3 2305 B7R0.4 CCCCOC(=O)C B116227 [0,2,0,0,0,0|1,0,0]=3 2306 B7R0.4 CCCCOC(=O)C B116228 [0,2,0,0,0,0|1,0,0]=3 2307 B7R0.4 CCCCOC(=O)C B119685 [0,2,0,0,0,0|1,0,0]=3 2308 B7R0.4 CCCCOC(=O)N B152422 [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.4 CCOCCC(=O)C E156453 [0,2,0,0,0,0|0,1,0]=3 2310 B7R0.4 CCOCCC(=O)O E156172 [0,2,0,0,0,0|1,1,0]=4 2311 B7R0.4 CNCCCC(=O)O M276212 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.4 CNCCCC(=O)O M397624 [0,2,0,0,0,0|2,0,0]=4 2313 B7R0.4 COCC=CC(=O)O E589767 [0,2,0,0,0,0|1,1,0]=4 2314 B7R0.4 COCCCC(=O)O M192558 [0,2,0,0,0,0|1,1,0]=4 2315 B7R0.4 COCCOC(=O)Cl M158778 [0,2,0,0,0,0|1,1,0]=4 2316 B7R0.4 [CH]CCCCC(=O)[N] P111447 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.4 [CH]CCCCC(=O)[N] P128923 [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.6 C(C(=O)O)SC(=N)N S303941 [0,2,0,0,0,0|1,0,1]=4 2319 B7R0.6 CC(=C)CCC(=C)C D155280 [0,2,0,0,0,0|2,0,0]=4 2320 B7R0.6 CC(=C)COC(=O)C M158238 [0,2,0,0,0,0|1,0,0]=3 2321 B7R0.6 CC(=O)CCC(=O)C H106697 [0,2,0,0,0,0|1,0,0]=3 2322 B7R0.6 CC(=O)CCC(=O)C H106698 [0,2,0,0,0,0|1,0,0]=3 2323 B7R0.6 CC(=O)CCC(=O)C H106699 [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.6 CC(=O)CCC(=O)O L104281 [0,2,0,0,0,0|1,0,1]=4 2325 B7R0.6 CC(=O)CCC(=O)O L278641 [0,2,0,0,0,0|1,0,1]=4 2326 B7R0.6 CC(=O)CCC(=O)O L298748 [0,2,0,0,0,0|1,0,1]=4 2327 B7R0.6 CC(=O)CCC(=O)O L421026 [0,2,0,0,0,0|1,0,1]=4 2328 B7R0.6 CC(=O)COC(=O)C A151657 [0,2,0,0,0,0|0,1,0]=3 2329 B7R0.6 CC(=O)NCC(=O)O A103973 [0,2,0,0,0,0|2,0,0]=4 2330 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,2,0,0,0,0|1,1,0]=4 2331 B7R0.6 CC(=O)OCC(=O)O A167143 [0,2,0,0,0,0|1,1,0]=4 2332 B7R0.6 CC(=O)OCC(F)F D154397 [0,2,0,0,0,0|2,0,0]=4 2333 B7R0.6 CC(=O)SCC(=O)O S131714 [0,2,0,0,0,0|1,0,0]=3 2334 B7R0.6 CC(=S)NCC(=O)O N159832 [0,2,0,0,0,0|2,0,0]=4 2335 B7R0.6 CC(C)C=CC(=O)C M170732 [0,2,0,0,0,0|1,0,1]=4 2336 B7R0.6 CC(C)CC=C(C)C D155272 [0,2,0,0,0,0|2,0,0]=4 2337 B7R0.6 CC(C)CCC(=C)C D155278 [0,2,0,0,0,0|2,0,0]=4 2338 B7R0.6 CC(C)CCC(=O)C M106666 [0,2,0,0,0,0|1,0,0]=3 2339 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,2,0,0,0,0|2,0,0]=4 2340 B7R0.6 CC(C)CCC(=O)O M117869 [0,2,0,0,0,0|2,0,0]=4 2341 B7R0.6 CC(C)COC(=O)C I110418 [0,2,0,0,0,0|1,0,0]=3 2342 B7R0.6 CC(C)COC(=O)C I110419 [0,2,0,0,0,0|1,0,0]=3 2343 B7R0.6 CC(C)COC(=O)Cl I105738 [0,2,0,0,0,0|2,0,0]=4 2344 B7R0.6 CC(C)NNC(=O)C N193444 [0,2,0,0,0,0|2,0,0]=4 2345 B7R0.6 CN(C)CCC(=O)O D132248 [0,2,0,0,0,0|2,0,0]=4 2346 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,2,0,0,0,0|1,0,1]=4 2347 B7R0.8 CCCOS(=O)(=O)C P160510 [0,2,0,0,0,0|2,0,0]=4 2348 B7R0.8 CS(=O)(=O)CCCBr B493202 [0,2,0,0,0,0|2,0,0]=4 2349 B5R1.2 C1C(=O)CN1 A174998 [1,0,0,1,0,0|1,0,0]=3 2350 B5R1.2 C1C(=O)CO1 O129097 [1,0,0,1,0,0|0,1,0]=3 2351 B5R1.2 C1C(CS1)N T173228 [1,0,0,1,0,0|1,0,1]=4 2352 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|0,0,0]=2 2353 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|1,0,1]=4 2354 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|1,0,1]=4 2355 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|1,0,1]=4 2356 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|1,0,1]=4 2357 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|0,0,2]=4 2358 B5R1.2 C1CNC1=O A139449 [1,0,0,1,0,0|1,0,0]=3 2359 B5R1.2 C1COC1=O P109567 [1,0,0,1,0,0|0,1,0]=3 2360 B5R1.2 C=C1CCC1 M332850 [1,0,0,1,0,0|1,0,0]=3 2361 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|0,0,2]=4 2362 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|0,0,2]=4 2363 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|0,0,2]=4 2364 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|0,0,2]=4 2365 B5R1.5 CC1(CC1)N M178021 [1,0,0,1,0,0|1,0,1]=4 2366 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|1,0,1]=4 2367 B5R1.1 C1C=CCN1 D139123 [1,0,0,1,0,0|1,0,1]=4 2368 B5R1.1 C1C=CCN1 p103550 [1,0,0,1,0,0|1,0,1]=4 2369 B5R1.1 C1C=CCO1 D101471 [1,0,0,1,0,0|0,1,1]=4 2370 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|1,0,1]=4 2371 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|1,0,1]=4 2372 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|1,0,1]=4 2373 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|1,0,1]=4 2374 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|1,0,1]=4 2375 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|1,0,1]=4 2376 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|1,0,1]=4 2377 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|1,0,1]=4 2378 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|1,0,1]=4 2379 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|1,0,1]=4 2380 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|1,0,1]=4 2381 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|1,0,1]=4 2382 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|1,0,1]=4 2383 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|0,1,1]=4 2384 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|0,1,1]=4 2385 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|0,1,1]=4 2386 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|0,1,1]=4 2387 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|0,1,1]=4 2388 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|0,1,1]=4 2389 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|0,1,1]=4 2390 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|0,1,1]=4 2391 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|0,1,1]=4 2392 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|0,1,1]=4 2393 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|0,1,1]=4 2394 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|0,1,1]=4 2395 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|0,1,1]=4 2396 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|0,1,1]=4 2397 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|0,1,1]=4 2398 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|0,1,1]=4 2399 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|0,0,1]=3 2400 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|1,0,1]=4 2401 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|0,1,1]=4 2402 B5R1.1 C1COCO1 D105894 [1,0,0,1,0,0|1,1,0]=4 2403 B5R1.1 C1COCO1 D105895 [1,0,0,1,0,0|1,1,0]=4 2404 B5R1.1 C1COCO1 D119723 [1,0,0,1,0,0|1,1,0]=4 2405 B5R1.1 C1CSCN1 T101324 [1,0,0,1,0,0|1,0,0]=3 2406 B7R1.1 C1CC=C(C1)C=O C304145 [0,1,0,1,0,0|1,0,1]=4 2407 B7R1.1 C1CCC(=NO)C1 C138083 [0,1,0,1,0,0|1,0,1]=4 2408 B7R1.1 C1CCC(C1)C=O C122650 [0,1,0,1,0,0|1,0,1]=4 2409 B7R1.1 C1CCN(C1)C=O F469140 [0,1,0,1,0,0|2,0,0]=4 2410 B7R1.1 C1CCN(C1)N=O N111145 [0,1,0,1,0,0|2,0,0]=4 2411 B7R1.1 C1CCN(C1)N=O N114388 [0,1,0,1,0,0|2,0,0]=4 2412 B7R1.1 C1COCC1C=O T304657 [0,1,0,1,0,0|0,1,1]=4 2413 B7R1.2 C1C(=O)COC1=O T101326 [0,1,0,1,0,0|0,1,1]=4 2414 B7R1.2 C1C(=O)N=C(S1)N A168665 [0,1,0,1,0,0|1,0,1]=4 2415 B7R1.2 C1C(=O)N=C(S1)N A193919 [0,1,0,1,0,0|1,0,1]=4 2416 B7R1.2 C1C(=O)NC(=O)S1 T109725 [0,1,0,1,0,0|1,0,1]=4 2417 B7R1.2 C1C(=O)NC(=S)S1 R104132 [0,1,0,1,0,0|1,0,1]=4 2418 B7R1.2 C1C(=O)NC(=S)S1 R104133 [0,1,0,1,0,0|1,0,1]=4 2419 B7R1.2 C1C(C=CC1=O)O H492879 [0,1,0,1,0,0|1,0,1]=4 2420 B7R1.2 C1C(CNC1=O)N A587603 [0,1,0,1,0,0|2,0,0]=4 2421 B7R1.2 C1C(CNC1=O)O H119311 [0,1,0,1,0,0|2,0,0]=4 2422 B7R1.2 C1C(CNC1=O)O H119312 [0,1,0,1,0,0|2,0,0]=4 2423 B7R1.2 C1C(CNC1=O)O H183207 [0,1,0,1,0,0|2,0,0]=4 2424 B7R1.2 C1C(COC1=O)N R189910 [0,1,0,1,0,0|2,0,0]=4 2425 B7R1.2 C1C(COC1=O)N S189909 [0,1,0,1,0,0|2,0,0]=4 2426 B7R1.2 C1C(COC1=O)O H107941 [0,1,0,1,0,0|2,0,0]=4 2427 B7R1.2 C1CC(=O)CC1=O C138777 [0,1,0,1,0,0|1,0,0]=3 2428 B7R1.2 C1CC(=O)NC1=O S104077 [0,1,0,1,0,0|2,0,0]=4 2429 B7R1.2 C1CC(=O)NC1=O S104079 [0,1,0,1,0,0|2,0,0]=4 2430 B7R1.2 C1CC(=O)OC1=O S104823 [0,1,0,1,0,0|2,0,0]=4 2431 B7R1.2 C1CC(=O)OC1=O S104824 [0,1,0,1,0,0|2,0,0]=4 2432 B7R1.2 CC1=CC(=CS1)C D304246 [0,1,0,1,0,0|1,0,1]=4 2433 B7R1.2 CC1=CC(=O)CC1 M109537 [0,1,0,1,0,0|1,0,1]=4 2434 B7R1.2 CC1=CC(=O)OC1 M158202 [0,1,0,1,0,0|1,0,1]=4 2435 B7R1.2 CC1=CCC(=O)O1 A151155 [0,1,0,1,0,0|2,0,0]=4 2436 B7R1.2 CC1=CCC(=O)O1 A433012 [0,1,0,1,0,0|2,0,0]=4 2437 B7R1.2 CC1=CSC(=N1)C D119299 [0,1,0,1,0,0|1,0,1]=4 2438 B7R1.2 CC1=NNC(=O)C1 M121614 [0,1,0,1,0,0|2,0,0]=4 2439 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|1,0,0]=3 2440 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,1,0,0|2,0,0]=4 2441 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|2,0,0]=4 2442 B7R1.2 CC1COC(=O)O1 P105723 [0,1,0,1,0,0|2,0,0]=4 2443 B7R1.2 CC1COC(=O)O1 P105724 [0,1,0,1,0,0|2,0,0]=4 2444 B7R1.2 CC1COC(=O)O1 P105725 [0,1,0,1,0,0|2,0,0]=4 2445 B7R1.2 CC1COC(=O)O1 P105726 [0,1,0,1,0,0|2,0,0]=4 2446 B7R1.2 CC1COC(=O)O1 P122960 [0,1,0,1,0,0|2,0,0]=4 2447 B7R1.2 CC1COC(=O)O1 S135940 [0,1,0,1,0,0|2,0,0]=4 2448 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,1,0,0|1,0,0]=3 2449 B7R1.3 C1CC(=O)CNC1 P301951 [0,1,0,1,0,0|1,0,0]=3 2450 B7R1.3 C1CC(=O)COC1 O175840 [0,1,0,1,0,0|0,1,0]=3 2451 B7R1.3 C1CCC(=O)CC1 C116449 [0,1,0,1,0,0|1,0,0]=3 2452 B7R1.3 C1CCC(=O)CC1 C116451 [0,1,0,1,0,0|1,0,0]=3 2453 B7R1.3 C1CCC(=O)CC1 C116453 [0,1,0,1,0,0|1,0,0]=3 2454 B7R1.3 C1CCC(=O)CC1 C116454 [0,1,0,1,0,0|1,0,0]=3 2455 B7R1.3 C1CCC(=O)CC1 C295202 [0,1,0,1,0,0|1,0,0]=3 2456 B7R1.3 C1CCC(=O)CC1 C471914 [0,1,0,1,0,0|1,0,0]=3 2457 B7R1.3 C1CCC(=O)CC1 C615386 [0,1,0,1,0,0|1,0,0]=3 2458 B7R1.3 C1CCNC(=O)C1 P160613 [0,1,0,1,0,0|1,0,0]=3 2459 B7R1.3 C1CCOC(=O)C1 V100560 [0,1,0,1,0,0|1,0,0]=3 2460 B7R1.3 C1CNC(=O)CN1 P135012 [0,1,0,1,0,0|1,0,0]=3 2461 B7R1.3 C1CNC(=O)NC1 T162348 [0,1,0,1,0,0|2,0,0]=4 2462 B7R1.3 C1CNC(=O)OC1 O170792 [0,1,0,1,0,0|2,0,0]=4 2463 B7R1.3 C1COC(=O)C=C1 D155403 [0,1,0,1,0,0|1,0,1]=4 2464 B7R1.3 C1COC(=O)CO1 D122246 [0,1,0,1,0,0|0,1,0]=3 2465 B7R1.3 C1COC(=O)OC1 D155394 [0,1,0,1,0,0|2,0,0]=4 2466 B7R1.3 C1COCC(=O)N1 M157861 [0,1,0,1,0,0|0,1,0]=3 2467 B7R1.3 C1COCCC1=O T107483 [0,1,0,1,0,0|0,1,0]=3 2468 B7R1.3 C1CSCCC1=O T121984 [0,1,0,1,0,0|0,0,0]=2 2469 B7R1.3 C1CSCCC1N T588299 [0,1,0,1,0,0|1,0,1]=4 2470 B7R1.3 C1CSCCC1O T161724 [0,1,0,1,0,0|0,0,2]=4 2471 B7R1.3 C=C1CCCCC1 M158229 [0,1,0,1,0,0|2,0,0]=4 2472 B7R1.3 CC1=CCC=CC1 M113652 [0,1,0,1,0,0|2,0,0]=4 2473 B7R1.3 CC1=CCCCC1 M158209 [0,1,0,1,0,0|2,0,0]=4 2474 B7R1.3 CC1=CCNCC1 M178460 [0,1,0,1,0,0|2,0,0]=4 2475 B7R1.4 C1C(C(=O)NO1)N C108718 [0,1,0,1,0,0|1,1,0]=4 2476 B7R1.4 C1C(C(=O)NO1)N D136996 [0,1,0,1,0,0|1,1,0]=4 2477 B7R1.4 C1C(C(=O)NO1)N D425443 [0,1,0,1,0,0|1,1,0]=4 2478 B7R1.4 C1C(C(=O)NO1)N L423473 [0,1,0,1,0,0|1,1,0]=4 2479 B7R1.4 C1C(C(=O)NO1)N S136251 [0,1,0,1,0,0|1,1,0]=4 2480 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,1,0,0|1,0,1]=4 2481 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,1,0,1,0,0|1,0,0]=3 2482 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,1,0,1,0,0|1,0,0]=3 2483 B7R1.4 C1CNC(=O)C1O H486731 [0,1,0,1,0,0|2,0,0]=4 2484 B7R1.4 C1COC(=O)C1Br B107924 [0,1,0,1,0,0|2,0,0]=4 2485 B7R1.4 C1COC(=O)C1N A101211 [0,1,0,1,0,0|2,0,0]=4 2486 B7R1.4 C1COC(=O)C1N I167498 [0,1,0,1,0,0|2,0,0]=4 2487 B7R1.4 C1COC(=O)C1N R137962 [0,1,0,1,0,0|2,0,0]=4 2488 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,1,0,0|2,0,0]=4 2489 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,1,0,0|2,0,0]=4 2490 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,1,0,0|2,0,0]=4 2491 B7R1.4 C1CSC(=O)C1N H108030 [0,1,0,1,0,0|2,0,0]=4 2492 B7R1.4 C1CSC(=O)C1N S169532 [0,1,0,1,0,0|2,0,0]=4 2493 B7R1.4 CC1=CCCC1=O M165952 [0,1,0,1,0,0|1,0,1]=4 2494 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|0,1,0]=3 2495 B7R1.4 CC1C(=O)CCS1 M102985 [0,1,0,1,0,0|0,0,0]=2 2496 B7R1.4 CC1CCCC1=O M138029 [0,1,0,1,0,0|1,0,0]=3 2497 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|2,0,0]=4 2498 B7R1.4 CN1C(=O)CC=N1 M586169 [0,1,0,1,0,0|2,0,0]=4 2499 B7R1.4 CN1CCCC1=O M100588 [0,1,0,1,0,0|1,0,0]=3 2500 B7R1.4 CN1CCCC1=O M100589 [0,1,0,1,0,0|1,0,0]=3 2501 B7R1.4 CN1CCCC1=O M100590 [0,1,0,1,0,0|1,0,0]=3 2502 B7R1.4 CN1CCCC1=O M103246 [0,1,0,1,0,0|1,0,0]=3 2503 B7R1.4 CN1CCCC1=O M103247 [0,1,0,1,0,0|1,0,0]=3 2504 B7R1.4 CN1CCCC1=O M103248 [0,1,0,1,0,0|1,0,0]=3 2505 B7R1.4 CN1CCCC1=O M103250 [0,1,0,1,0,0|1,0,0]=3 2506 B7R1.4 CN1CCCC1=O M119668 [0,1,0,1,0,0|1,0,0]=3 2507 B7R1.4 CN1CCCC1=O M434296 [0,1,0,1,0,0|1,0,0]=3 2508 B7R1.4 CN1CCCC1=S M140448 [0,1,0,1,0,0|1,1,0]=4 2509 B7R1.4 CN1CCNC1=O M304416 [0,1,0,1,0,0|2,0,0]=4 2510 B7R1.4 CN1CCOC1=O M132701 [0,1,0,1,0,0|2,0,0]=4 2511 B7R1.10 C1C(CC1=O)C#N O175570 [0,1,0,1,0,0|1,0,1]=4 2512 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|1,0,0]=3 2513 B7R1.22 C1CC1C(=O)CBr B186063 [0,1,0,1,0,0|1,0,0]=3 2514 B7R1.22 C1CC1C(=O)NN C177206 [0,1,0,1,0,0|2,0,0]=4 2515 B7R1.22 COC(=O)C1CC1 M108025 [0,1,0,1,0,0|1,0,0]=3 2516 B7R1.22 COC(=O)C1CN1 M111108 [0,1,0,1,0,0|1,0,0]=3 2517 B7R1.22 COC(=O)C1CO1 G303748 [0,1,0,1,0,0|0,1,0]=3 2518 B7R1.22 COC(=O)C1CO1 M344543 [0,1,0,1,0,0|0,1,0]=3 2519 B7R1.22 COC(=O)C1CO1 S179901 [0,1,0,1,0,0|0,1,0]=3 2520 B7R1.12 C1C(C1F)C(=O)O F191156 [0,1,0,1,0,0|2,0,0]=4 2521 B7R1.12 C1C(C1F)C(=O)O R586886 [0,1,0,1,0,0|2,0,0]=4 2522 B7R1.12 C1C(C1F)C(=O)O R587591 [0,1,0,1,0,0|2,0,0]=4 2523 B7R1.12 C1C(C1F)C(=O)O S587590 [0,1,0,1,0,0|2,0,0]=4 2524 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|2,0,0]=4 2525 B7R1.20 C1CC1CC(=O)O C134997 [0,1,0,1,0,0|2,0,0]=4 2526 B7R1.18 C1C(CN1)C(=O)O A103105 [0,1,0,1,0,0|2,0,0]=4 2527 B7R1.18 C1C(CO1)C(=O)O O166062 [0,1,0,1,0,0|1,1,0]=4 2528 B7R1.18 C1CC(C1)C(=O)Cl C170618 [0,1,0,1,0,0|2,0,0]=4 2529 B7R1.18 C1CC(C1)C(=O)O C120879 [0,1,0,1,0,0|2,0,0]=4 2530 B7R1.18 C1CNC1C(=O)O A124088 [0,1,0,1,0,0|2,0,0]=4 2531 B7R1.18 C1CNC1C(=O)O A175896 [0,1,0,1,0,0|2,0,0]=4 2532 B7R1.18 C1CNC1C(=O)O R177416 [0,1,0,1,0,0|2,0,0]=4 2533 B7R1.18 CC(=O)C1CCC1 A151658 [0,1,0,1,0,0|1,0,0]=3 2534 B7R1.19 C1CC1(C(=O)N)N A176135 [0,1,0,1,0,0|2,0,0]=4 2535 B7R1.19 C1CC1(C(=O)O)F F181343 [0,1,0,1,0,0|2,0,0]=4 2536 B7R1.19 C1CC1(C(=O)O)N A101238 [0,1,0,1,0,0|2,0,0]=4 2537 B7R1.19 C1CC1(C(=O)O)N A102433 [0,1,0,1,0,0|2,0,0]=4 2538 B7R1.19 C1CC1(C(=O)O)N A422646 [0,1,0,1,0,0|2,0,0]=4 2539 B7R1.19 CC(=O)C1(CC1)C M342570 [0,1,0,1,0,0|1,0,0]=3 2540 B7R1.19 CC1(CC1)C(=O)O M158058 [0,1,0,1,0,0|2,0,0]=4 2541 B7R1.14 C1CCS(=O)(=O)C1 S110939 [0,1,0,1,0,0|2,0,0]=4 2542 B7R1.14 C1CCS(=O)(=O)C1 S110940 [0,1,0,1,0,0|2,0,0]=4 2543 B7R1.14 C1CCS(=O)(=O)C1 S110941 [0,1,0,1,0,0|2,0,0]=4 2544 B7R1.14 C1CCS(=O)(=O)C1 S110942 [0,1,0,1,0,0|2,0,0]=4 2545 B7R1.14 C1CCS(=O)(=O)C1 S357666 [0,1,0,1,0,0|2,0,0]=4