0 B5R0.1 C(C=C(Cl)Cl)Cl T303246 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=CCC(=O)O B152769 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=CCC(=O)O B152771 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC#CC(C)C M157953 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CC(=C)CCO M158231 [0,0,0,0,0,0|0,0,4]=4 5 B5R0.1 CC(=CC#N)N A163009 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|0,0,0]=0 7 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|0,0,2]=2 13 B5R0.1 CC(=O)CCO H106330 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.1 CC(=O)COC M158844 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(=O)NC=C N159504 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CC(=O)NCO A151630 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CC(=O)OC=C P101483 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CC(=O)OC=C P101485 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CC(=O)OC=C P101486 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 CC(=O)OC=C P301634 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 CC(=O)OC=C P304876 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CC(=O)OC=C P304877 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 CC(=O)OC=C P304879 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 CC(=O)OC=C P304880 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 CC(=O)OC=C P304881 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 CC(=O)OC=C P432376 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 CC(=O)OC=C P489072 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 CC(=O)OC=C V104470 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 CC(=O)OC=C V104471 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CC(=O)OC=C V104472 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CC(=O)OCBr B122544 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC(=O)OCCl C194261 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC(C)CC#C M157952 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.1 CC(C)CC#N I137312 [0,0,0,0,0,0|1,0,3]=4 35 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|1,0,2]=3 36 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|0,0,2]=2 37 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|0,0,2]=2 38 B5R0.1 CC(C)CCBr I109279 [0,0,0,0,0,0|1,0,3]=4 39 B5R0.1 CC(C)CCCl C105682 [0,0,0,0,0,0|1,0,3]=4 40 B5R0.1 CC(C)CCI I100674 [0,0,0,0,0,0|1,0,3]=4 41 B5R0.1 CC(C)CCN I109581 [0,0,0,0,0,0|1,0,3]=4 42 B5R0.1 CC(C)CCN I404590 [0,0,0,0,0,0|1,0,3]=4 43 B5R0.1 CC(C)CCO M116196 [0,0,0,0,0,0|0,0,4]=4 44 B5R0.1 CC(C)CCO M116197 [0,0,0,0,0,0|0,0,4]=4 45 B5R0.1 CC(C)CCO M116198 [0,0,0,0,0,0|0,0,4]=4 46 B5R0.1 CC(C)CCO M116200 [0,0,0,0,0,0|0,0,4]=4 47 B5R0.1 CC(C)CCO M116201 [0,0,0,0,0,0|0,0,4]=4 48 B5R0.1 CC(C)CCO M119838 [0,0,0,0,0,0|0,0,4]=4 49 B5R0.1 CC(C)CCS M101609 [0,0,0,0,0,0|0,1,3]=4 50 B5R0.1 CC(C)CNN I588327 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 CC(C)C[Zn]Br I465880 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.1 CC(C)N=C=S I138525 [0,0,0,0,0,0|1,1,2]=4 53 B5R0.1 CC(C)OC=O I112304 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.1 CC(C)OCCl C189120 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CC(C)SC#N I349763 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.1 CC=CC(=O)C P139100 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.1 CC=CC(=O)Cl C102055 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CC=CC(=O)Cl C153881 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CC=CC(=O)N C153720 [0,0,0,0,0,0|3,0,0]=3 63 B5R0.1 CC=CC(=O)O C104149 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.1 CC=CC(=O)O C104150 [0,0,0,0,0,0|3,0,0]=3 65 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|1,0,1]=2 66 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|1,0,1]=2 67 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|1,0,1]=2 68 B5R0.1 CCCC(=C)C M158211 [0,0,0,0,0,0|1,0,3]=4 69 B5R0.1 CCCC(=O)C P103780 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CCCC(=O)C P103781 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 CCCC(=O)C P103782 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 CCCC(=O)C P103783 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.1 CCCC(C)C I157548 [0,0,0,0,0,0|1,0,3]=4 74 B5R0.1 CCCC(C)C M105775 [0,0,0,0,0,0|1,0,3]=4 75 B5R0.1 CCCC(C)C M105776 [0,0,0,0,0,0|1,0,3]=4 76 B5R0.1 CCCC(C)C M105777 [0,0,0,0,0,0|1,0,3]=4 77 B5R0.1 CCCC(C)C M105778 [0,0,0,0,0,0|1,0,3]=4 78 B5R0.1 CCCC(C)C M137744 [0,0,0,0,0,0|1,0,3]=4 79 B5R0.1 CCCN(C)C N404354 [0,0,0,0,0,0|2,0,2]=4 80 B5R0.1 CCNC(=O)C I135660 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CCNC(C)C N159098 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CCOC(=N)C E132730 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.1 CCOC(=O)C E116131 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.1 CCOC(=O)C E116132 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.1 CCOC(=O)C E116133 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CCOC(=O)C E116134 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 CCOC(=O)C E116135 [0,0,0,0,0,0|3,0,1]=4 88 B5R0.1 CCOC(=O)C E116136 [0,0,0,0,0,0|3,0,1]=4 89 B5R0.1 CCOC(=O)C E116137 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.1 CCOC(=O)C E116138 [0,0,0,0,0,0|3,0,1]=4 91 B5R0.1 CCOC(=O)C E116139 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.1 CCOC(=O)C E116141 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.1 CCOC(=O)C E116142 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.1 CCOC(=O)C E119698 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.1 CCOC(=O)C E141165 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CCOC(=O)C E302266 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.1 CCOC(=O)C E432070 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|2,1,1]=4 99 B5R0.1 CCSC(=O)C E107950 [0,0,0,0,0,0|3,0,1]=4 100 B5R0.1 CCSC(=S)C E338928 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.1 CN(C)CC#C N159655 [0,0,0,0,0,0|2,0,2]=4 102 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|1,0,1]=2 104 B5R0.1 CN(C)CCBr B183437 [0,0,0,0,0,0|2,0,2]=4 105 B5R0.1 CN(C)CCN D105347 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.1 CN(C)CCN N404297 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.1 CN(C)CCN N404298 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.1 CN(C)CCO D109078 [0,0,0,0,0,0|1,0,3]=4 109 B5R0.1 CN(C)CCO D109079 [0,0,0,0,0,0|1,0,3]=4 110 B5R0.1 CN(C)CCO D109080 [0,0,0,0,0,0|1,0,3]=4 111 B4R0.1 B(=S(C)C)Cl C300429 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 C(=C(Cl)Cl)Cl T100714 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 C(=C(Cl)Cl)Cl T100715 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 C(=C(Cl)Cl)Cl T100717 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 C(=C(Cl)Cl)Cl T100719 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 C(=C(Cl)Cl)Cl T119718 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 C(=O)C(=O)O G108309 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 C(=O)C(=O)O G169372 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 C=CC(=O)Cl A104614 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 C=CC(=O)N A108465 [1,0,0,0,0,0|2,0,0]=3 121 B4R0.1 C=CC(=O)N A108466 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 C=CC(=O)N A108467 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.1 C=CC(=O)N A108468 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 C=CC(=O)N A108469 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 C=CC(=O)N A108470 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.1 C=CC(=O)N A353801 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 C=CC(=O)N P108471 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 C=CC(=O)N P434410 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 C=CC(=O)N P434411 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 C=CC(=O)N P477438 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 C=CC(=O)O A103525 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 C=CC(=O)O A103526 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 C=CC(=O)O A397753 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.1 C=CC(=O)O A434196 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 C=CC(=O)O A615488 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 C=CC(=O)O P104270 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.1 C=CC(=O)O P104272 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 C=CC(=O)O P131657 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.1 C=CC(=O)O P131658 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.1 C=CC(=O)O P131659 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 C=CC(=O)O P299190 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 C=CC(=O)O P404949 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.1 C=CC(=O)O P639633 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 C=CC(=O)[O-] M304023 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 C=CC(=O)[O-] P304873 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 C=CC(=O)[O-] P434406 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.1 C=CC(=O)[O-] P434407 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 C=CC(=O)[O-] P434408 [1,0,0,0,0,0|2,0,0]=3 149 B4R0.1 C=CC(=O)[O-] P434409 [1,0,0,0,0,0|2,0,0]=3 150 B4R0.1 C=CC(=O)[O-] S108368 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.1 C=CC(=O)[O-] S165277 [1,0,0,0,0,0|2,0,0]=3 152 B4R0.1 C=CC(=O)[O-] S298808 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.1 C=CC(=O)[O-] S304539 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.1 C=CC(=O)[O-] S434405 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.1 C=CC(=O)[O-] Z472262 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.1 CC(=C)C#C M189215 [1,0,0,0,0,0|0,0,3]=4 157 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|0,0,1]=2 158 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|0,0,1]=2 159 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|0,0,3]=4 163 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|1,0,0]=2 164 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|1,0,0]=2 165 B4R0.1 CC(=NN)N A193172 [1,0,0,0,0,0|3,0,0]=4 166 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 CC(=O)C#C B101576 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.1 CC(=O)C#N P466890 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|1,0,0]=2 171 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|1,0,0]=2 172 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|1,0,2]=4 176 B4R0.1 CC(=O)NBr N159711 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 CC(=O)NN A151537 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 CC(=O)O[Al] A283286 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|0,0,1]=2 190 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|0,0,1]=2 191 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|0,0,1]=2 192 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|1,0,2]=4 194 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|1,0,2]=4 196 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|1,0,2]=4 197 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|1,0,2]=4 198 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|1,0,2]=4 201 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|0,0,3]=4 202 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|0,0,3]=4 203 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|0,0,3]=4 204 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|0,0,3]=4 205 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|0,0,3]=4 206 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|0,0,3]=4 207 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|0,0,3]=4 208 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|0,0,3]=4 209 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|0,1,2]=4 210 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|1,0,2]=4 211 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|1,0,2]=4 213 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|1,0,2]=4 214 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|1,0,1]=3 216 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|1,0,1]=3 217 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|1,0,1]=3 218 B4R0.1 CC=C(Cl)Cl D128125 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|1,0,2]=4 220 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|0,1,2]=4 221 B4R0.1 CN(C)C#N D154667 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|1,0,0]=2 223 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|1,0,0]=2 224 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|1,0,0]=2 225 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|1,0,0]=2 226 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|1,0,0]=2 227 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|1,0,0]=2 228 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|1,0,0]=2 229 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|1,0,0]=2 233 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|1,1,0]=3 236 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|2,0,0]=3 239 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|2,0,0]=3 240 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|1,1,1]=4 241 B4R0.2 C(=O)[N-]C=O S160985 [1,0,0,0,0,0|2,0,0]=3 242 B4R0.2 C(C=CCl)Cl C470045 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.2 C(C=CCl)Cl D114577 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.2 C(C=CCl)Cl D115814 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.2 C(C=CCl)Cl D119391 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.2 C(C=CCl)Cl D128134 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.2 C(C=CO)Cl R303195 [1,0,0,0,0,0|1,0,2]=4 248 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|1,0,2]=4 249 B4R0.2 C=CNC=O N159503 [1,0,0,0,0,0|1,0,1]=3 250 B4R0.2 CC=CC#N B111228 [1,0,0,0,0,0|1,0,1]=3 251 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|1,0,1]=3 252 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|1,0,1]=3 253 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|0,0,2]=3 254 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|1,0,2]=4 255 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|0,0,2]=3 256 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|0,0,2]=3 257 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|0,0,2]=3 258 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|1,0,1]=3 259 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|1,0,1]=3 263 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|1,0,1]=3 264 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|1,0,1]=3 265 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|2,0,1]=4 267 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.1 C=COC(=O)CCl V162952 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|0,0,2]=3 271 B6R0.1 CC=CC(=O)OC M109486 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 CCC(=O)C=CC E404567 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.1 CCC(=O)C=CC H111425 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.1 CCC(=O)OC=C V162937 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.1 CCC=C(C)C=O M102187 [0,1,0,0,0,0|1,0,2]=4 276 B6R0.1 COC(=O)C=CI E589680 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.1 COC(=O)CC=C M341924 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.2 B(C=C(C)C)(O)O M587289 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.2 C(=NC(=O)N)(N)N C358805 [0,1,0,0,0,0|3,0,0]=4 280 B6R0.2 C(=NC(=O)N)(N)N G156819 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.2 C(=O)(N)NC(=O)N B111665 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.2 C(=O)(N)NC(=O)N B111666 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.2 C(=O)(N)NC(=O)N B196397 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.2 C(C(=N)N)C(=O)N A136566 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.2 CC(=C)OC(=O)C I108612 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.2 CC(=CC(=O)C)C M105926 [0,1,0,0,0,0|0,0,0]=1 296 B6R0.2 CC(=CC(=O)C)C M105927 [0,1,0,0,0,0|0,0,0]=1 297 B6R0.2 CC(=CC(=O)C)C M105928 [0,1,0,0,0,0|0,0,0]=1 298 B6R0.2 CC(=CC(=O)C)N F156686 [0,1,0,0,0,0|1,0,0]=2 299 B6R0.2 CC(=CC(=O)C)O A118525 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.2 CC(=CC(=O)C)O A118538 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.2 CC(=CC(=O)C)O A579873 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.2 CC(=CC(=O)C)O B152272 [0,1,0,0,0,0|1,0,0]=2 303 B6R0.2 CC(=CC(=O)C)O C109323 [0,1,0,0,0,0|1,0,0]=2 304 B6R0.2 CC(=CC(=O)C)O C140817 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.2 CC(=CC(=O)C)O C283471 [0,1,0,0,0,0|1,0,0]=2 306 B6R0.2 CC(=CC(=O)C)O C486854 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.2 CC(=CC(=O)C)O D302912 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.2 CC(=CC(=O)C)O E302901 [0,1,0,0,0,0|1,0,0]=2 309 B6R0.2 CC(=CC(=O)C)O E347622 [0,1,0,0,0,0|1,0,0]=2 310 B6R0.2 CC(=CC(=O)C)O G304265 [0,1,0,0,0,0|1,0,0]=2 311 B6R0.2 CC(=CC(=O)C)O H107857 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.2 CC(=CC(=O)C)O I138305 [0,1,0,0,0,0|1,0,0]=2 313 B6R0.2 CC(=CC(=O)C)O I294571 [0,1,0,0,0,0|1,0,0]=2 314 B6R0.2 CC(=CC(=O)C)O M106182 [0,1,0,0,0,0|1,0,0]=2 315 B6R0.2 CC(=CC(=O)C)O P101065 [0,1,0,0,0,0|1,0,0]=2 316 B6R0.2 CC(=CC(=O)C)O P119025 [0,1,0,0,0,0|1,0,0]=2 317 B6R0.2 CC(=CC(=O)C)O P119026 [0,1,0,0,0,0|1,0,0]=2 318 B6R0.2 CC(=CC(=O)C)O P293928 [0,1,0,0,0,0|1,0,0]=2 319 B6R0.2 CC(=CC(=O)C)O R118502 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.2 CC(=CC(=O)C)O R118539 [0,1,0,0,0,0|1,0,0]=2 321 B6R0.2 CC(=CC(=O)C)O R118540 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.2 CC(=CC(=O)C)O R294372 [0,1,0,0,0,0|1,0,0]=2 323 B6R0.2 CC(=CC(=O)C)O R639975 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.2 CC(=CC(=O)C)O S298504 [0,1,0,0,0,0|1,0,0]=2 325 B6R0.2 CC(=CC(=O)C)O T283063 [0,1,0,0,0,0|1,0,0]=2 326 B6R0.2 CC(=CC(=O)C)O T302818 [0,1,0,0,0,0|1,0,0]=2 327 B6R0.2 CC(=CC(=O)C)O T302908 [0,1,0,0,0,0|1,0,0]=2 328 B6R0.2 CC(=CC(=O)C)O V109324 [0,1,0,0,0,0|1,0,0]=2 329 B6R0.2 CC(=CC(=O)C)O V109325 [0,1,0,0,0,0|1,0,0]=2 330 B6R0.2 CC(=CC(=O)C)O Y191992 [0,1,0,0,0,0|1,0,0]=2 331 B6R0.2 CC(=CC(=O)C)O Y283039 [0,1,0,0,0,0|1,0,0]=2 332 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,1,0,0,0,0|1,0,0]=2 336 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,1,0,0,0,0|1,0,0]=2 338 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,1,0,0,0,0|1,0,0]=2 339 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,1,0,0,0,0|1,0,0]=2 340 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,1,0,0,0,0|1,0,0]=2 341 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,1,0,0,0,0|1,0,0]=2 343 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,1,0,0,0,0|1,0,0]=2 344 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,1,0,0,0,0|1,0,0]=2 345 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,1,0,0,0,0|1,0,0]=2 346 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,1,0,0,0,0|1,0,0]=2 347 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,1,0,0,0,0|1,0,0]=2 348 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,1,0,0,0,0|1,0,0]=2 349 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,1,0,0,0,0|1,0,0]=2 351 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,1,0,0,0,0|0,0,0]=1 352 B6R0.2 CC(=CC(=O)O)C D102028 [0,1,0,0,0,0|0,0,0]=1 353 B6R0.2 CC(=O)CC(=O)C A110366 [0,1,0,0,0,0|1,0,1]=3 354 B6R0.2 CC(=O)CC(=O)C A110367 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.2 CC(=O)CC(=O)C A110370 [0,1,0,0,0,0|1,0,1]=3 356 B6R0.2 CC(=O)CC(=O)N A194123 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,1,0,0,0,0|1,0,1]=3 358 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,1,0,0,0,0|1,0,1]=3 359 B6R0.2 CC(=O)CN(C)C D167514 [0,1,0,0,0,0|1,0,1]=3 360 B6R0.2 CC(=O)N=C(N)N A134062 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.2 CC(=O)NC(=O)N A114125 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.2 CC(=O)NC(=S)N A151428 [0,1,0,0,0,0|2,1,0]=4 363 B6R0.2 CC(=O)OC(=O)C A302240 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.2 CC(=O)OC(=O)C A474130 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.2 CC(=O)SC(=O)C A151355 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,1,0,0,0,0|1,0,1]=3 367 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,1,0,0,0,0|1,0,2]=4 369 B6R0.2 CC(C)C=C(C)C D155423 [0,1,0,0,0,0|1,0,1]=3 370 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|0,0,2]=3 371 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|0,0,2]=3 372 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|0,0,2]=3 373 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|0,0,2]=3 374 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|0,0,2]=3 375 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|0,0,2]=3 376 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,0,0,0,0|0,0,2]=3 377 B6R0.2 CC(C)CC(=O)O I108280 [0,1,0,0,0,0|0,0,2]=3 378 B6R0.2 CC(C)CC(=O)O I108281 [0,1,0,0,0,0|0,0,2]=3 379 B6R0.2 CC(C)CC(=O)O I424338 [0,1,0,0,0,0|0,0,2]=3 380 B6R0.2 CC(C)CC(=O)O I432771 [0,1,0,0,0,0|0,0,2]=3 381 B6R0.2 CC(C)NC(=O)C N586389 [0,1,0,0,0,0|1,0,1]=3 382 B6R0.2 CC(C)OC(=O)C I103453 [0,1,0,0,0,0|1,0,1]=3 383 B6R0.2 CC(C)OC(=O)C I103454 [0,1,0,0,0,0|1,0,1]=3 384 B6R0.2 CC(C)OC(=O)C I103455 [0,1,0,0,0,0|1,0,1]=3 385 B6R0.2 CC(C)OC(=O)N I157610 [0,1,0,0,0,0|1,0,1]=3 386 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,1,0,0,0,0|1,1,1]=4 387 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [0,1,0,0,0,0|2,0,1]=4 388 B6R0.2 CC(CC(=O)O)Br B169132 [0,1,0,0,0,0|1,0,2]=4 389 B6R0.2 CC(CC(=O)O)Cl C153466 [0,1,0,0,0,0|1,0,2]=4 390 B6R0.2 CC(CC(=O)O)N A100948 [0,1,0,0,0,0|1,0,2]=4 391 B6R0.2 CC(CC(=O)O)N H117041 [0,1,0,0,0,0|1,0,2]=4 392 B6R0.2 CC(CC(=O)O)N R184127 [0,1,0,0,0,0|1,0,2]=4 393 B6R0.2 CC(CC(=O)O)N S193074 [0,1,0,0,0,0|1,0,2]=4 394 B6R0.2 CC(CC(=O)O)O P347707 [0,1,0,0,0,0|1,0,2]=4 395 B6R0.2 CC(CC(=O)O)O R304188 [0,1,0,0,0,0|1,0,2]=4 396 B6R0.2 CC(CC(=O)O)O R425172 [0,1,0,0,0,0|1,0,2]=4 397 B6R0.2 CC(CC(=O)O)O S161108 [0,1,0,0,0,0|1,0,2]=4 398 B6R0.2 CC(CC(=O)O)O S194215 [0,1,0,0,0,0|1,0,2]=4 399 B6R0.2 CC(CC(=O)[O-])O B301134 [0,1,0,0,0,0|1,0,2]=4 400 B6R0.2 CC(CC(=O)[O-])O H121822 [0,1,0,0,0,0|1,0,2]=4 401 B6R0.2 CC(CC(=O)[O-])O X131756 [0,1,0,0,0,0|1,0,2]=4 402 B6R0.2 CC(OC(=O)C)Br B303662 [0,1,0,0,0,0|2,0,1]=4 403 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,1,0,0,0,0|2,0,1]=4 404 B6R0.2 CN(C)CC(=O)O D115675 [0,1,0,0,0,0|1,0,1]=3 405 B6R0.2 CN(C)CC(=O)O N159831 [0,1,0,0,0,0|1,0,1]=3 406 B6R0.2 CN(C)CC(=O)O N420632 [0,1,0,0,0,0|1,0,1]=3 407 B6R0.3 CC(=C)C(=O)NC N159439 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.3 CC(=C)C(=O)NC N563684 [0,1,0,0,0,0|2,0,1]=4 409 B6R0.3 CC(=C)C(=O)OC M109623 [0,1,0,0,0,0|2,0,1]=4 410 B6R0.3 CC(=C)C(=O)OC M109626 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.3 CC(=C)C(=O)OC M109629 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.3 CC(=C)C(=O)OC P141442 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.3 CC(=C)C(=O)OC P141443 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.3 CC(=C)C(=O)OC P141444 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.3 CC(=C)C(=O)OC P434521 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.3 CC(=C)C(=O)OC P434523 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.3 CC(=C)C(=O)OC P434524 [0,1,0,0,0,0|2,0,1]=4 418 B6R0.3 CC(=C)C(=O)OC P478276 [0,1,0,0,0,0|2,0,1]=4 419 B6R0.3 CC(=C)C(=O)OC P598682 [0,1,0,0,0,0|2,0,1]=4 420 B6R0.3 CC(=NO)C(=O)C D111028 [0,1,0,0,0,0|2,0,1]=4 421 B6R0.3 CC(=NO)C(=O)C D111029 [0,1,0,0,0,0|2,0,1]=4 422 B6R0.3 CC(=O)C(=O)CBr B185016 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.3 CC(=O)N(C)C=C N124471 [0,1,0,0,0,0|3,0,0]=4 425 B6R0.3 CC(C)C(=O)OC M100041 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,0,0,0,0|2,0,0]=3 428 B6R0.3 CC=C(C)C(=O)Cl T161611 [0,1,0,0,0,0|3,0,0]=4 429 B6R0.3 CC=C(C)C(=O)O B137277 [0,1,0,0,0,0|3,0,0]=4 430 B6R0.3 CC=C(C)C(=O)O T107164 [0,1,0,0,0,0|3,0,0]=4 431 B6R0.3 CC=C(C)C(C)C C153480 [0,1,0,0,0,0|1,0,1]=3 432 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,0,0,0,0|2,0,1]=4 433 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|1,0,2]=4 434 B6R0.3 CCC(=O)N(C)C D128096 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.3 CN(C)C(=O)CBr B185138 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.3 CN(C)C(=O)CCl C107991 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.3 CN(C)C(=O)CN A182307 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.3 CN(C)C(=O)CO H587302 [0,1,0,0,0,0|1,0,2]=4 440 B6R0.3 CN(C)C(=S)NN D155254 [0,1,0,0,0,0|3,0,0]=4 441 B6R0.3 CNC(=O)N(C)C T348049 [0,1,0,0,0,0|3,0,0]=4 442 B6R0.3 CNC(=S)N(C)C T162220 [0,1,0,0,0,0|3,0,0]=4 443 B6R0.4 C(C(=O)O)NC=O N159822 [0,1,0,0,0,0|2,0,1]=4 444 B6R0.4 C(C=CC(=O)O)Br B152770 [0,1,0,0,0,0|3,0,0]=4 445 B6R0.4 C(C=CC(=O)O)O T341890 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.4 CC(=CCCBr)C B470663 [0,1,0,0,0,0|1,0,1]=3 447 B6R0.4 CC(=O)C=COC M113467 [0,1,0,0,0,0|1,0,1]=3 448 B6R0.4 CC(=O)C=COC M434875 [0,1,0,0,0,0|1,0,1]=3 449 B6R0.4 CC(=O)CCC=C H113634 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.4 CC(=O)OCC=C A107305 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.4 CC(C)CCC=O M586390 [0,1,0,0,0,0|0,0,2]=3 452 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|1,0,2]=4 453 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|1,0,2]=4 454 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|0,0,2]=3 455 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|0,0,2]=3 456 B6R0.4 CC(C)CON=O I157486 [0,1,0,0,0,0|1,0,2]=4 457 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|1,0,2]=4 458 B6R0.4 CC=CCC(=O)O P165142 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.4 CCC=CC(=O)O T162309 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.4 CN(C)C=CC#N D155421 [0,1,0,0,0,0|2,0,0]=3 461 B6R0.4 CN(C)C=CC#N I169860 [0,1,0,0,0,0|2,0,0]=3 462 B6R0.4 CN(C)C=CC=O D139445 [0,1,0,0,0,0|1,0,0]=2 463 B6R0.5 CC(C)(C)CC=O D133103 [0,1,0,0,0,0|0,0,2]=3 464 B6R0.5 CC(C)(C)NC=O N159292 [0,1,0,0,0,0|1,0,1]=3 465 B6R0.5 CC(C)(C)OC=C T139444 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.5 CC(C)(C)OC=O T341498 [0,1,0,0,0,0|1,0,1]=3 467 B6R0.5 CC(C)(C)ON=O B106794 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.5 C[N+](C)(C)CC=C A191081 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.5 C[Si](C)(C)C=CBr B170236 [0,1,0,0,0,0|1,1,0]=3 470 B6R0.5 C[Si](C)(C)C=CBr B493164 [0,1,0,0,0,0|1,1,0]=3 471 B6R0.5 C[Si](C)(C)C=[N+]=[N-] T106617 [0,1,0,0,0,0|2,1,0]=4 472 B6R0.5 C[Si](C)(C)C=[N+]=[N-] T140538 [0,1,0,0,0,0|2,1,0]=4 473 B6R0.5 C[Si](C)(C)CC=C A107288 [0,1,0,0,0,0|1,1,1]=4 474 B6R0.5 C[Si](C)(C)N=C=O T162529 [0,1,0,0,0,0|1,1,1]=4 475 B6R0.5 C[Si](C)(C)N=C=O T466834 [0,1,0,0,0,0|1,1,1]=4 476 B6R0.5 C[Si](C)(C)OC=C T161744 [0,1,0,0,0,0|2,1,0]=4 477 B6R0.5 C[Si](C)(CC=C)Cl A151246 [0,1,0,0,0,0|1,1,1]=4 478 B6R1.2 C1=C(NN=C1)Br B132639 [0,0,0,1,0,0|3,0,0]=4 479 B6R1.2 C1=C(NN=C1)Br B586496 [0,0,0,1,0,0|3,0,0]=4 480 B6R1.2 C1=C(NN=C1)F F174272 [0,0,0,1,0,0|3,0,0]=4 481 B6R1.2 C1=C(NN=C1)I I157634 [0,0,0,1,0,0|3,0,0]=4 482 B6R1.2 C1=C(NN=C1)I I586115 [0,0,0,1,0,0|3,0,0]=4 483 B6R1.2 C1=C(NN=C1)N A105614 [0,0,0,1,0,0|3,0,0]=4 484 B6R1.2 C1=C(NN=C1)N H304965 [0,0,0,1,0,0|3,0,0]=4 485 B6R1.2 C1=C(NN=C1)N H586683 [0,0,0,1,0,0|3,0,0]=4 486 B6R1.2 C1=C(ON=C1)N I587306 [0,0,0,1,0,0|3,0,0]=4 487 B6R1.2 C1=CNNC1=O H173741 [0,0,0,1,0,0|3,0,0]=4 488 B6R1.2 C1=COC(=C1)Br B152379 [0,0,0,1,0,0|3,0,0]=4 489 B6R1.2 C1=COC=C1Br B123116 [0,0,0,1,0,0|1,0,2]=4 490 B6R1.2 C1=CON=C1Br B481858 [0,0,0,1,0,0|2,0,1]=4 491 B6R1.2 C1=CON=C1N A124591 [0,0,0,1,0,0|2,0,1]=4 492 B6R1.2 C1=CSC(=C1)Br B107006 [0,0,0,1,0,0|3,0,0]=4 493 B6R1.2 C1=CSC(=C1)Cl C106575 [0,0,0,1,0,0|3,0,0]=4 494 B6R1.2 C1=CSC(=C1)I I107041 [0,0,0,1,0,0|3,0,0]=4 495 B6R1.2 C1=CSC(=C1)S T100899 [0,0,0,1,0,0|3,0,0]=4 496 B6R1.2 C1=CSC=C1Br B103164 [0,0,0,1,0,0|1,1,1]=4 497 B6R1.2 C1=CSC=C1Cl C101614 [0,0,0,1,0,0|1,1,1]=4 498 B6R1.2 C1=CSC=C1F F156769 [0,0,0,1,0,0|1,1,1]=4 499 B6R1.2 C1=CSC=C1I I165643 [0,0,0,1,0,0|1,1,1]=4 500 B6R1.2 C1=CSC=C1N D303790 [0,0,0,1,0,0|1,1,1]=4 501 B6R1.2 C1=CSC=C1N T588427 [0,0,0,1,0,0|1,1,1]=4 502 B6R1.2 C1=CSSC1=S H275383 [0,0,0,1,0,0|2,1,0]=4 503 B6R1.2 C1C=CC(=O)N1 D344952 [0,0,0,1,0,0|3,0,0]=4 504 B6R1.2 C1C=CC(=O)O1 F107943 [0,0,0,1,0,0|3,0,0]=4 505 B6R1.2 C1C=CC(=O)S1 H472400 [0,0,0,1,0,0|3,0,0]=4 506 B6R1.2 C1CC(=O)C=C1 C139450 [0,0,0,1,0,0|2,0,0]=3 507 B6R1.2 CC1=CC=CN1 M185725 [0,0,0,1,0,0|2,0,0]=3 508 B6R1.2 CC1=CC=CO1 M110932 [0,0,0,1,0,0|2,0,0]=3 509 B6R1.2 CC1=CC=CS1 M109554 [0,0,0,1,0,0|2,0,0]=3 510 B6R1.2 CC1=CC=NN1 M108005 [0,0,0,1,0,0|2,0,0]=3 511 B6R1.2 CC1=CC=NO1 M158646 [0,0,0,1,0,0|2,0,0]=3 512 B6R1.2 CC1=CCCC1 M158230 [0,0,0,1,0,0|1,0,1]=3 513 B6R1.2 CC1=CN=CN1 M112296 [0,0,0,1,0,0|2,0,1]=4 514 B6R1.2 CC1=CN=CS1 M124661 [0,0,0,1,0,0|2,0,1]=4 515 B6R1.2 CC1=CNC=C1 M139090 [0,0,0,1,0,0|1,0,1]=3 516 B6R1.2 CC1=CNN=C1 M158362 [0,0,0,1,0,0|2,0,1]=4 517 B6R1.2 CC1=COC=C1 M158541 [0,0,0,1,0,0|0,0,2]=3 518 B6R1.2 CC1=CSC=C1 M113676 [0,0,0,1,0,0|0,1,1]=3 519 B6R1.2 CC1=CSC=N1 M103108 [0,0,0,1,0,0|1,1,1]=4 520 B6R1.2 CC1=NC=CN1 M104839 [0,0,0,1,0,0|3,0,0]=4 521 B6R1.2 CC1=NC=CS1 M299351 [0,0,0,1,0,0|3,0,0]=4 522 B6R1.2 CC1=NC=C[N-]1 Z282555 [0,0,0,1,0,0|3,0,0]=4 523 B6R1.2 CC1=NC=NN1 M177267 [0,0,0,1,0,0|3,0,0]=4 524 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|2,0,1]=4 525 B6R1.2 CN1C=CC=C1 M100701 [0,0,0,1,0,0|2,0,1]=4 526 B6R1.2 CN1C=CC=N1 M107967 [0,0,0,1,0,0|3,0,0]=4 527 B6R1.2 CN1C=CN=C1 M109227 [0,0,0,1,0,0|2,0,1]=4 528 B6R1.2 CN1C=CN=C1 M300816 [0,0,0,1,0,0|2,0,1]=4 529 B6R1.2 CN1C=CN=C1 M342188 [0,0,0,1,0,0|2,0,1]=4 530 B6R1.3 C1CC1N=C=O I184669 [0,0,0,1,0,0|1,0,2]=4 531 B6R1.5 CC1CC(=O)O1 B152852 [0,0,0,1,0,0|1,0,1]=3 532 B3R0.1 C(=C/Cl)/Cl C470392 [2,0,0,0,0,0|2,0,0]=4 533 B3R0.1 C(=C/Cl)/Cl D119830 [2,0,0,0,0,0|2,0,0]=4 534 B3R0.1 C(=CBr)Br D154476 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.1 C(=CCl)Cl D106417 [2,0,0,0,0,0|2,0,0]=4 536 B3R0.1 C(=CCl)Cl D106418 [2,0,0,0,0,0|2,0,0]=4 537 B3R0.1 C(=CCl)Cl D106419 [2,0,0,0,0,0|2,0,0]=4 538 B3R0.1 C(=CCl)Cl D119827 [2,0,0,0,0,0|2,0,0]=4 539 B3R0.1 C(=CCl)Cl D128118 [2,0,0,0,0,0|2,0,0]=4 540 B3R0.1 C(=CCl)Cl D294828 [2,0,0,0,0,0|2,0,0]=4 541 B3R0.1 C(=CCl)Cl D303936 [2,0,0,0,0,0|2,0,0]=4 542 B3R0.1 C(=CCl)Cl T278880 [2,0,0,0,0,0|2,0,0]=4 543 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|1,0,0]=3 544 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|1,0,0]=3 545 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|1,0,0]=3 546 B3R0.1 C(=O)NN F109757 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.1 C=CC#N A299303 [2,0,0,0,0,0|1,0,1]=4 548 B3R0.1 C=CC#N A431344 [2,0,0,0,0,0|1,0,1]=4 549 B3R0.1 C=CC#N P303197 [2,0,0,0,0,0|1,0,1]=4 550 B3R0.1 C=CC#N P303199 [2,0,0,0,0,0|1,0,1]=4 551 B3R0.1 C=CC#N P303200 [2,0,0,0,0,0|1,0,1]=4 552 B3R0.1 C=CC=C P476125 [2,0,0,0,0,0|0,0,1]=3 553 B3R0.1 C=CC=C P478063 [2,0,0,0,0,0|0,0,1]=3 554 B3R0.1 C=CC=C P478297 [2,0,0,0,0,0|0,0,1]=3 555 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|0,0,0]=2 556 B3R0.1 C=CCBr A108658 [2,0,0,0,0,0|1,0,1]=4 557 B3R0.1 C=CCCl A103820 [2,0,0,0,0,0|1,0,1]=4 558 B3R0.1 C=CCCl A103821 [2,0,0,0,0,0|1,0,1]=4 559 B3R0.1 C=CCCl A103822 [2,0,0,0,0,0|1,0,1]=4 560 B3R0.1 C=CCCl A141152 [2,0,0,0,0,0|1,0,1]=4 561 B3R0.1 C=CCI A109401 [2,0,0,0,0,0|1,0,1]=4 562 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|1,0,1]=4 563 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|1,0,1]=4 564 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|1,0,1]=4 565 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|1,0,1]=4 566 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|1,0,1]=4 567 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,0]=3 568 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,0]=3 569 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|1,0,1]=4 570 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,1]=3 571 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,1]=3 572 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|1,0,0]=3 573 B3R0.1 COC=C P304875 [2,0,0,0,0,0|1,0,0]=3 574 B3R0.2 C(=O)(N)N H106855 [2,0,0,0,0,0|2,0,0]=4 575 B3R0.2 C(=O)(N)N U101479 [2,0,0,0,0,0|2,0,0]=4 576 B3R0.2 C(=O)(N)N U101481 [2,0,0,0,0,0|2,0,0]=4 577 B3R0.2 C(=O)(N)N U111897 [2,0,0,0,0,0|2,0,0]=4 578 B3R0.2 C(=O)(N)N U111898 [2,0,0,0,0,0|2,0,0]=4 579 B3R0.2 C(=O)(N)N U111899 [2,0,0,0,0,0|2,0,0]=4 580 B3R0.2 C(=O)(N)N U111901 [2,0,0,0,0,0|2,0,0]=4 581 B3R0.2 C(=O)(N)N U111902 [2,0,0,0,0,0|2,0,0]=4 582 B3R0.2 C(=O)(N)N U111903 [2,0,0,0,0,0|2,0,0]=4 583 B3R0.2 C(=O)(N)N U111904 [2,0,0,0,0,0|2,0,0]=4 584 B3R0.2 C(=O)(N)N U119692 [2,0,0,0,0,0|2,0,0]=4 585 B3R0.2 C(=O)(N)N U141075 [2,0,0,0,0,0|2,0,0]=4 586 B3R0.2 C(=O)(N)N U304906 [2,0,0,0,0,0|2,0,0]=4 587 B3R0.2 C(=O)(N)N U424822 [2,0,0,0,0,0|2,0,0]=4 588 B3R0.2 C(=O)(N)N U471932 [2,0,0,0,0,0|2,0,0]=4 589 B3R0.2 C(=O)(N)N U491109 [2,0,0,0,0,0|2,0,0]=4 590 B3R0.2 C(=O)(N)[O-] A113918 [2,0,0,0,0,0|2,0,0]=4 591 B3R0.2 C(=O)(O)[O-] A110536 [2,0,0,0,0,0|2,0,0]=4 592 B3R0.2 C(=O)(O)[O-] A110537 [2,0,0,0,0,0|2,0,0]=4 593 B3R0.2 C(=O)(O)[O-] A431332 [2,0,0,0,0,0|2,0,0]=4 594 B3R0.2 C(=O)(O)[O-] A431333 [2,0,0,0,0,0|2,0,0]=4 595 B3R0.2 C(=O)(O)[O-] C303357 [2,0,0,0,0,0|2,0,0]=4 596 B3R0.2 C(=O)(O)[O-] P110485 [2,0,0,0,0,0|2,0,0]=4 597 B3R0.2 C(=O)(O)[O-] P110487 [2,0,0,0,0,0|2,0,0]=4 598 B3R0.2 C(=O)(O)[O-] P118601 [2,0,0,0,0,0|2,0,0]=4 599 B3R0.2 C(=O)(O)[O-] P639954 [2,0,0,0,0,0|2,0,0]=4 600 B3R0.2 C(=O)(O)[O-] S112331 [2,0,0,0,0,0|2,0,0]=4 601 B3R0.2 C(=O)(O)[O-] S112334 [2,0,0,0,0,0|2,0,0]=4 602 B3R0.2 C(=O)(O)[O-] S112335 [2,0,0,0,0,0|2,0,0]=4 603 B3R0.2 C(=O)(O)[O-] S112337 [2,0,0,0,0,0|2,0,0]=4 604 B3R0.2 C(=O)(O)[O-] S112338 [2,0,0,0,0,0|2,0,0]=4 605 B3R0.2 C(=O)(O)[O-] S112339 [2,0,0,0,0,0|2,0,0]=4 606 B3R0.2 C(=O)(O)[O-] S118660 [2,0,0,0,0,0|2,0,0]=4 607 B3R0.2 C(=O)(O)[O-] S331496 [2,0,0,0,0,0|2,0,0]=4 608 B3R0.2 C(=O)(O)[O-] S401669 [2,0,0,0,0,0|2,0,0]=4 609 B3R0.2 C(=O)(O)[O-] S432108 [2,0,0,0,0,0|2,0,0]=4 610 B3R0.2 C(=O)(O)[O-] S432109 [2,0,0,0,0,0|2,0,0]=4 611 B3R0.2 C(=O)(O)[O-] S432111 [2,0,0,0,0,0|2,0,0]=4 612 B3R0.2 C(=O)(O)[O-] S604571 [2,0,0,0,0,0|2,0,0]=4 613 B3R0.2 C(=O)(O)[O-] S639888 [2,0,0,0,0,0|2,0,0]=4 614 B3R0.2 C(=O)(O)[O-] T290608 [2,0,0,0,0,0|2,0,0]=4 615 B3R0.2 C(=O)(O)[O-] Z113329 [2,0,0,0,0,0|2,0,0]=4 616 B3R0.2 C(=O)([O-])[O-] A110371 [2,0,0,0,0,0|2,0,0]=4 617 B3R0.2 C(=O)([O-])[O-] A110373 [2,0,0,0,0,0|2,0,0]=4 618 B3R0.2 C(=O)([O-])[O-] A118825 [2,0,0,0,0,0|2,0,0]=4 619 B3R0.2 C(=O)([O-])[O-] A291926 [2,0,0,0,0,0|2,0,0]=4 620 B3R0.2 C(=O)([O-])[O-] A432782 [2,0,0,0,0,0|2,0,0]=4 621 B3R0.2 C(=O)([O-])[O-] A485838 [2,0,0,0,0,0|2,0,0]=4 622 B3R0.2 C(=O)([O-])[O-] B112362 [2,0,0,0,0,0|2,0,0]=4 623 B3R0.2 C(=O)([O-])[O-] B112363 [2,0,0,0,0,0|2,0,0]=4 624 B3R0.2 C(=O)([O-])[O-] B112364 [2,0,0,0,0,0|2,0,0]=4 625 B3R0.2 C(=O)([O-])[O-] B112365 [2,0,0,0,0,0|2,0,0]=4 626 B3R0.2 C(=O)([O-])[O-] B112366 [2,0,0,0,0,0|2,0,0]=4 627 B3R0.2 C(=O)([O-])[O-] B112367 [2,0,0,0,0,0|2,0,0]=4 628 B3R0.2 C(=O)([O-])[O-] B117838 [2,0,0,0,0,0|2,0,0]=4 629 B3R0.2 C(=O)([O-])[O-] B139811 [2,0,0,0,0,0|2,0,0]=4 630 B3R0.2 C(=O)([O-])[O-] C100153 [2,0,0,0,0,0|2,0,0]=4 631 B3R0.2 C(=O)([O-])[O-] C100155 [2,0,0,0,0,0|2,0,0]=4 632 B3R0.2 C(=O)([O-])[O-] C102101 [2,0,0,0,0,0|2,0,0]=4 633 B3R0.2 C(=O)([O-])[O-] C102102 [2,0,0,0,0,0|2,0,0]=4 634 B3R0.2 C(=O)([O-])[O-] C105060 [2,0,0,0,0,0|2,0,0]=4 635 B3R0.2 C(=O)([O-])[O-] C105061 [2,0,0,0,0,0|2,0,0]=4 636 B3R0.2 C(=O)([O-])[O-] C105063 [2,0,0,0,0,0|2,0,0]=4 637 B3R0.2 C(=O)([O-])[O-] C105380 [2,0,0,0,0,0|2,0,0]=4 638 B3R0.2 C(=O)([O-])[O-] C111980 [2,0,0,0,0,0|2,0,0]=4 639 B3R0.2 C(=O)([O-])[O-] C111984 [2,0,0,0,0,0|2,0,0]=4 640 B3R0.2 C(=O)([O-])[O-] C111985 [2,0,0,0,0,0|2,0,0]=4 641 B3R0.2 C(=O)([O-])[O-] C111986 [2,0,0,0,0,0|2,0,0]=4 642 B3R0.2 C(=O)([O-])[O-] C111987 [2,0,0,0,0,0|2,0,0]=4 643 B3R0.2 C(=O)([O-])[O-] C111988 [2,0,0,0,0,0|2,0,0]=4 644 B3R0.2 C(=O)([O-])[O-] C118654 [2,0,0,0,0,0|2,0,0]=4 645 B3R0.2 C(=O)([O-])[O-] C118705 [2,0,0,0,0,0|2,0,0]=4 646 B3R0.2 C(=O)([O-])[O-] C141292 [2,0,0,0,0,0|2,0,0]=4 647 B3R0.2 C(=O)([O-])[O-] C193679 [2,0,0,0,0,0|2,0,0]=4 648 B3R0.2 C(=O)([O-])[O-] C301706 [2,0,0,0,0,0|2,0,0]=4 649 B3R0.2 C(=O)([O-])[O-] C301707 [2,0,0,0,0,0|2,0,0]=4 650 B3R0.2 C(=O)([O-])[O-] C301708 [2,0,0,0,0,0|2,0,0]=4 651 B3R0.2 C(=O)([O-])[O-] C301709 [2,0,0,0,0,0|2,0,0]=4 652 B3R0.2 C(=O)([O-])[O-] C341739 [2,0,0,0,0,0|2,0,0]=4 653 B3R0.2 C(=O)([O-])[O-] C432741 [2,0,0,0,0,0|2,0,0]=4 654 B3R0.2 C(=O)([O-])[O-] C432743 [2,0,0,0,0,0|2,0,0]=4 655 B3R0.2 C(=O)([O-])[O-] C432744 [2,0,0,0,0,0|2,0,0]=4 656 B3R0.2 C(=O)([O-])[O-] D303484 [2,0,0,0,0,0|2,0,0]=4 657 B3R0.2 C(=O)([O-])[O-] D340770 [2,0,0,0,0,0|2,0,0]=4 658 B3R0.2 C(=O)([O-])[O-] E112966 [2,0,0,0,0,0|2,0,0]=4 659 B3R0.2 C(=O)([O-])[O-] E304793 [2,0,0,0,0,0|2,0,0]=4 660 B3R0.2 C(=O)([O-])[O-] F302419 [2,0,0,0,0,0|2,0,0]=4 661 B3R0.2 C(=O)([O-])[O-] G349487 [2,0,0,0,0,0|2,0,0]=4 662 B3R0.2 C(=O)([O-])[O-] H302201 [2,0,0,0,0,0|2,0,0]=4 663 B3R0.2 C(=O)([O-])[O-] L101679 [2,0,0,0,0,0|2,0,0]=4 664 B3R0.2 C(=O)([O-])[O-] L101681 [2,0,0,0,0,0|2,0,0]=4 665 B3R0.2 C(=O)([O-])[O-] L101684 [2,0,0,0,0,0|2,0,0]=4 666 B3R0.2 C(=O)([O-])[O-] L101685 [2,0,0,0,0,0|2,0,0]=4 667 B3R0.2 C(=O)([O-])[O-] L105143 [2,0,0,0,0,0|2,0,0]=4 668 B3R0.2 C(=O)([O-])[O-] L105146 [2,0,0,0,0,0|2,0,0]=4 669 B3R0.2 C(=O)([O-])[O-] L118639 [2,0,0,0,0,0|2,0,0]=4 670 B3R0.2 C(=O)([O-])[O-] L196236 [2,0,0,0,0,0|2,0,0]=4 671 B3R0.2 C(=O)([O-])[O-] L424716 [2,0,0,0,0,0|2,0,0]=4 672 B3R0.2 C(=O)([O-])[O-] L616481 [2,0,0,0,0,0|2,0,0]=4 673 B3R0.2 C(=O)([O-])[O-] L616497 [2,0,0,0,0,0|2,0,0]=4 674 B3R0.2 C(=O)([O-])[O-] M111694 [2,0,0,0,0,0|2,0,0]=4 675 B3R0.2 C(=O)([O-])[O-] M111695 [2,0,0,0,0,0|2,0,0]=4 676 B3R0.2 C(=O)([O-])[O-] M141071 [2,0,0,0,0,0|2,0,0]=4 677 B3R0.2 C(=O)([O-])[O-] M303145 [2,0,0,0,0,0|2,0,0]=4 678 B3R0.2 C(=O)([O-])[O-] M466608 [2,0,0,0,0,0|2,0,0]=4 679 B3R0.2 C(=O)([O-])[O-] P111556 [2,0,0,0,0,0|2,0,0]=4 680 B3R0.2 C(=O)([O-])[O-] P111558 [2,0,0,0,0,0|2,0,0]=4 681 B3R0.2 C(=O)([O-])[O-] P111561 [2,0,0,0,0,0|2,0,0]=4 682 B3R0.2 C(=O)([O-])[O-] P111562 [2,0,0,0,0,0|2,0,0]=4 683 B3R0.2 C(=O)([O-])[O-] P111563 [2,0,0,0,0,0|2,0,0]=4 684 B3R0.2 C(=O)([O-])[O-] P294003 [2,0,0,0,0,0|2,0,0]=4 685 B3R0.2 C(=O)([O-])[O-] P299567 [2,0,0,0,0,0|2,0,0]=4 686 B3R0.2 C(=O)([O-])[O-] P345539 [2,0,0,0,0,0|2,0,0]=4 687 B3R0.2 C(=O)([O-])[O-] P399177 [2,0,0,0,0,0|2,0,0]=4 688 B3R0.2 C(=O)([O-])[O-] P432993 [2,0,0,0,0,0|2,0,0]=4 689 B3R0.2 C(=O)([O-])[O-] P475259 [2,0,0,0,0,0|2,0,0]=4 690 B3R0.2 C(=O)([O-])[O-] P485460 [2,0,0,0,0,0|2,0,0]=4 691 B3R0.2 C(=O)([O-])[O-] R105381 [2,0,0,0,0,0|2,0,0]=4 692 B3R0.2 C(=O)([O-])[O-] R121990 [2,0,0,0,0,0|2,0,0]=4 693 B3R0.2 C(=O)([O-])[O-] S102039 [2,0,0,0,0,0|2,0,0]=4 694 B3R0.2 C(=O)([O-])[O-] S102041 [2,0,0,0,0,0|2,0,0]=4 695 B3R0.2 C(=O)([O-])[O-] S102043 [2,0,0,0,0,0|2,0,0]=4 696 B3R0.2 C(=O)([O-])[O-] S102045 [2,0,0,0,0,0|2,0,0]=4 697 B3R0.2 C(=O)([O-])[O-] S102046 [2,0,0,0,0,0|2,0,0]=4 698 B3R0.2 C(=O)([O-])[O-] S104735 [2,0,0,0,0,0|2,0,0]=4 699 B3R0.2 C(=O)([O-])[O-] S104737 [2,0,0,0,0,0|2,0,0]=4 700 B3R0.2 C(=O)([O-])[O-] S111733 [2,0,0,0,0,0|2,0,0]=4 701 B3R0.2 C(=O)([O-])[O-] S111735 [2,0,0,0,0,0|2,0,0]=4 702 B3R0.2 C(=O)([O-])[O-] S111736 [2,0,0,0,0,0|2,0,0]=4 703 B3R0.2 C(=O)([O-])[O-] S111737 [2,0,0,0,0,0|2,0,0]=4 704 B3R0.2 C(=O)([O-])[O-] S111738 [2,0,0,0,0,0|2,0,0]=4 705 B3R0.2 C(=O)([O-])[O-] S111739 [2,0,0,0,0,0|2,0,0]=4 706 B3R0.2 C(=O)([O-])[O-] S112589 [2,0,0,0,0,0|2,0,0]=4 707 B3R0.2 C(=O)([O-])[O-] S112591 [2,0,0,0,0,0|2,0,0]=4 708 B3R0.2 C(=O)([O-])[O-] S112592 [2,0,0,0,0,0|2,0,0]=4 709 B3R0.2 C(=O)([O-])[O-] S113834 [2,0,0,0,0,0|2,0,0]=4 710 B3R0.2 C(=O)([O-])[O-] S117544 [2,0,0,0,0,0|2,0,0]=4 711 B3R0.2 C(=O)([O-])[O-] S119016 [2,0,0,0,0,0|2,0,0]=4 712 B3R0.2 C(=O)([O-])[O-] S119487 [2,0,0,0,0,0|2,0,0]=4 713 B3R0.2 C(=O)([O-])[O-] S141342 [2,0,0,0,0,0|2,0,0]=4 714 B3R0.2 C(=O)([O-])[O-] S189038 [2,0,0,0,0,0|2,0,0]=4 715 B3R0.2 C(=O)([O-])[O-] S283014 [2,0,0,0,0,0|2,0,0]=4 716 B3R0.2 C(=O)([O-])[O-] S291927 [2,0,0,0,0,0|2,0,0]=4 717 B3R0.2 C(=O)([O-])[O-] S291928 [2,0,0,0,0,0|2,0,0]=4 718 B3R0.2 C(=O)([O-])[O-] S291929 [2,0,0,0,0,0|2,0,0]=4 719 B3R0.2 C(=O)([O-])[O-] S291930 [2,0,0,0,0,0|2,0,0]=4 720 B3R0.2 C(=O)([O-])[O-] S291931 [2,0,0,0,0,0|2,0,0]=4 721 B3R0.2 C(=O)([O-])[O-] S291932 [2,0,0,0,0,0|2,0,0]=4 722 B3R0.2 C(=O)([O-])[O-] S291933 [2,0,0,0,0,0|2,0,0]=4 723 B3R0.2 C(=O)([O-])[O-] S291935 [2,0,0,0,0,0|2,0,0]=4 724 B3R0.2 C(=O)([O-])[O-] S291943 [2,0,0,0,0,0|2,0,0]=4 725 B3R0.2 C(=O)([O-])[O-] S399117 [2,0,0,0,0,0|2,0,0]=4 726 B3R0.2 C(=O)([O-])[O-] S432174 [2,0,0,0,0,0|2,0,0]=4 727 B3R0.2 C(=O)([O-])[O-] S432759 [2,0,0,0,0,0|2,0,0]=4 728 B3R0.2 C(=O)([O-])[O-] S432760 [2,0,0,0,0,0|2,0,0]=4 729 B3R0.2 C(=O)([O-])[O-] S432761 [2,0,0,0,0,0|2,0,0]=4 730 B3R0.2 C(=O)([O-])[O-] S591270 [2,0,0,0,0,0|2,0,0]=4 731 B3R0.2 C(=O)([O-])[O-] T302043 [2,0,0,0,0,0|2,0,0]=4 732 B3R0.2 C(=O)([O-])[O-] T302044 [2,0,0,0,0,0|2,0,0]=4 733 B3R0.2 C=C(Cl)Cl D111347 [2,0,0,0,0,0|2,0,0]=4 734 B3R0.2 C=C(Cl)Cl D433595 [2,0,0,0,0,0|2,0,0]=4 735 B3R0.2 C=C(F)F P169015 [2,0,0,0,0,0|2,0,0]=4 736 B3R0.2 C=C(F)F P302009 [2,0,0,0,0,0|2,0,0]=4 737 B3R0.2 C=C(F)F P302010 [2,0,0,0,0,0|2,0,0]=4 738 B3R0.2 C=C(F)F P302012 [2,0,0,0,0,0|2,0,0]=4 739 B3R0.2 C=C(F)F P302014 [2,0,0,0,0,0|2,0,0]=4 740 B3R0.2 C=C(F)F P432377 [2,0,0,0,0,0|2,0,0]=4 741 B3R0.2 C=C(F)F P432378 [2,0,0,0,0,0|2,0,0]=4 742 B3R0.2 C=C(F)F P432379 [2,0,0,0,0,0|2,0,0]=4 743 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,0]=3 744 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|0,0,0]=2 745 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|0,0,0]=2 746 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|0,0,0]=2 747 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|0,0,0]=2 748 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|0,0,0]=2 749 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|0,0,0]=2 750 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|0,0,0]=2 751 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|0,0,0]=2 752 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|0,0,0]=2 753 B3R0.2 CC(=N)N A107218 [2,0,0,0,0,0|2,0,0]=4 754 B3R0.2 CC(=N)N A151335 [2,0,0,0,0,0|2,0,0]=4 755 B3R0.2 CC(=N)N A405649 [2,0,0,0,0,0|2,0,0]=4 756 B3R0.2 CC(=O)Br A109619 [2,0,0,0,0,0|1,0,0]=3 757 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,0,0]=2 758 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,0,0]=2 759 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,0,0]=2 760 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,0,0]=2 761 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,0,0]=2 762 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,0,0]=2 763 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,0,0]=2 764 B3R0.2 CC(=O)Cl A108662 [2,0,0,0,0,0|1,0,0]=3 765 B3R0.2 CC(=O)Cl A108664 [2,0,0,0,0,0|1,0,0]=3 766 B3R0.2 CC(=O)Cl A121289 [2,0,0,0,0,0|1,0,0]=3 767 B3R0.2 CC(=O)Cl A140638 [2,0,0,0,0,0|1,0,0]=3 768 B3R0.2 CC(=O)I A151620 [2,0,0,0,0,0|1,0,0]=3 769 B3R0.2 CC(=O)N A108460 [2,0,0,0,0,0|1,0,0]=3 770 B3R0.2 CC(=O)N A108461 [2,0,0,0,0,0|1,0,0]=3 771 B3R0.2 CC(=O)N A108462 [2,0,0,0,0,0|1,0,0]=3 772 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|1,0,0]=3 773 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|1,0,0]=3 774 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|1,0,0]=3 775 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|1,0,0]=3 776 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|1,0,0]=3 777 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|1,0,0]=3 778 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|1,0,0]=3 779 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|1,0,0]=3 780 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|1,0,0]=3 781 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|1,0,0]=3 782 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|1,0,0]=3 783 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|1,0,0]=3 784 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|1,0,0]=3 785 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|1,0,0]=3 786 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|1,0,0]=3 787 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|1,0,0]=3 788 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|1,0,0]=3 789 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|1,0,0]=3 790 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|1,0,0]=3 791 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|1,0,0]=3 792 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|1,0,0]=3 793 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|1,0,0]=3 794 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|1,0,0]=3 795 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|1,0,0]=3 796 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|1,0,0]=3 797 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|1,0,0]=3 798 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|1,0,0]=3 799 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|1,0,0]=3 800 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|1,0,0]=3 801 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|1,0,0]=3 802 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|1,0,0]=3 803 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|1,0,0]=3 804 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|1,0,0]=3 805 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|1,0,0]=3 806 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|1,0,0]=3 807 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|1,0,0]=3 808 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|1,0,0]=3 809 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|1,0,0]=3 810 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|1,0,0]=3 811 B3R0.2 CC(=O)[O-] A111331 [2,0,0,0,0,0|1,0,0]=3 812 B3R0.2 CC(=O)[O-] A112048 [2,0,0,0,0,0|1,0,0]=3 813 B3R0.2 CC(=O)[O-] A112055 [2,0,0,0,0,0|1,0,0]=3 814 B3R0.2 CC(=O)[O-] A112056 [2,0,0,0,0,0|1,0,0]=3 815 B3R0.2 CC(=O)[O-] A112057 [2,0,0,0,0,0|1,0,0]=3 816 B3R0.2 CC(=O)[O-] A112058 [2,0,0,0,0,0|1,0,0]=3 817 B3R0.2 CC(=O)[O-] A112059 [2,0,0,0,0,0|1,0,0]=3 818 B3R0.2 CC(=O)[O-] A112060 [2,0,0,0,0,0|1,0,0]=3 819 B3R0.2 CC(=O)[O-] A112061 [2,0,0,0,0,0|1,0,0]=3 820 B3R0.2 CC(=O)[O-] A121772 [2,0,0,0,0,0|1,0,0]=3 821 B3R0.2 CC(=O)[O-] A294961 [2,0,0,0,0,0|1,0,0]=3 822 B3R0.2 CC(=O)[O-] A294964 [2,0,0,0,0,0|1,0,0]=3 823 B3R0.2 CC(=O)[O-] A433166 [2,0,0,0,0,0|1,0,0]=3 824 B3R0.2 CC(=O)[O-] B102945 [2,0,0,0,0,0|1,0,0]=3 825 B3R0.2 CC(=O)[O-] B102947 [2,0,0,0,0,0|1,0,0]=3 826 B3R0.2 CC(=O)[O-] B102949 [2,0,0,0,0,0|1,0,0]=3 827 B3R0.2 CC(=O)[O-] B303104 [2,0,0,0,0,0|1,0,0]=3 828 B3R0.2 CC(=O)[O-] B303105 [2,0,0,0,0,0|1,0,0]=3 829 B3R0.2 CC(=O)[O-] C100139 [2,0,0,0,0,0|1,0,0]=3 830 B3R0.2 CC(=O)[O-] C100141 [2,0,0,0,0,0|1,0,0]=3 831 B3R0.2 CC(=O)[O-] C105400 [2,0,0,0,0,0|1,0,0]=3 832 B3R0.2 CC(=O)[O-] C106020 [2,0,0,0,0,0|1,0,0]=3 833 B3R0.2 CC(=O)[O-] C106650 [2,0,0,0,0,0|1,0,0]=3 834 B3R0.2 CC(=O)[O-] C106651 [2,0,0,0,0,0|1,0,0]=3 835 B3R0.2 CC(=O)[O-] C108085 [2,0,0,0,0,0|1,0,0]=3 836 B3R0.2 CC(=O)[O-] C108885 [2,0,0,0,0,0|1,0,0]=3 837 B3R0.2 CC(=O)[O-] C108886 [2,0,0,0,0,0|1,0,0]=3 838 B3R0.2 CC(=O)[O-] C110803 [2,0,0,0,0,0|1,0,0]=3 839 B3R0.2 CC(=O)[O-] C110804 [2,0,0,0,0,0|1,0,0]=3 840 B3R0.2 CC(=O)[O-] C110805 [2,0,0,0,0,0|1,0,0]=3 841 B3R0.2 CC(=O)[O-] C110807 [2,0,0,0,0,0|1,0,0]=3 842 B3R0.2 CC(=O)[O-] C118497 [2,0,0,0,0,0|1,0,0]=3 843 B3R0.2 CC(=O)[O-] C118636 [2,0,0,0,0,0|1,0,0]=3 844 B3R0.2 CC(=O)[O-] C118637 [2,0,0,0,0,0|1,0,0]=3 845 B3R0.2 CC(=O)[O-] C131576 [2,0,0,0,0,0|1,0,0]=3 846 B3R0.2 CC(=O)[O-] C153760 [2,0,0,0,0,0|1,0,0]=3 847 B3R0.2 CC(=O)[O-] C197275 [2,0,0,0,0,0|1,0,0]=3 848 B3R0.2 CC(=O)[O-] C305845 [2,0,0,0,0,0|1,0,0]=3 849 B3R0.2 CC(=O)[O-] C433063 [2,0,0,0,0,0|1,0,0]=3 850 B3R0.2 CC(=O)[O-] C433113 [2,0,0,0,0,0|1,0,0]=3 851 B3R0.2 CC(=O)[O-] C472574 [2,0,0,0,0,0|1,0,0]=3 852 B3R0.2 CC(=O)[O-] C485449 [2,0,0,0,0,0|1,0,0]=3 853 B3R0.2 CC(=O)[O-] C616592 [2,0,0,0,0,0|1,0,0]=3 854 B3R0.2 CC(=O)[O-] E347618 [2,0,0,0,0,0|1,0,0]=3 855 B3R0.2 CC(=O)[O-] G302975 [2,0,0,0,0,0|1,0,0]=3 856 B3R0.2 CC(=O)[O-] H283501 [2,0,0,0,0,0|1,0,0]=3 857 B3R0.2 CC(=O)[O-] I157596 [2,0,0,0,0,0|1,0,0]=3 858 B3R0.2 CC(=O)[O-] I192310 [2,0,0,0,0,0|1,0,0]=3 859 B3R0.2 CC(=O)[O-] I432598 [2,0,0,0,0,0|1,0,0]=3 860 B3R0.2 CC(=O)[O-] I432599 [2,0,0,0,0,0|1,0,0]=3 861 B3R0.2 CC(=O)[O-] L102778 [2,0,0,0,0,0|1,0,0]=3 862 B3R0.2 CC(=O)[O-] L102779 [2,0,0,0,0,0|1,0,0]=3 863 B3R0.2 CC(=O)[O-] L105189 [2,0,0,0,0,0|1,0,0]=3 864 B3R0.2 CC(=O)[O-] L105191 [2,0,0,0,0,0|1,0,0]=3 865 B3R0.2 CC(=O)[O-] L105192 [2,0,0,0,0,0|1,0,0]=3 866 B3R0.2 CC(=O)[O-] L106809 [2,0,0,0,0,0|1,0,0]=3 867 B3R0.2 CC(=O)[O-] L106810 [2,0,0,0,0,0|1,0,0]=3 868 B3R0.2 CC(=O)[O-] L118609 [2,0,0,0,0,0|1,0,0]=3 869 B3R0.2 CC(=O)[O-] L118858 [2,0,0,0,0,0|1,0,0]=3 870 B3R0.2 CC(=O)[O-] L168480 [2,0,0,0,0,0|1,0,0]=3 871 B3R0.2 CC(=O)[O-] L189058 [2,0,0,0,0,0|1,0,0]=3 872 B3R0.2 CC(=O)[O-] L196609 [2,0,0,0,0,0|1,0,0]=3 873 B3R0.2 CC(=O)[O-] L331817 [2,0,0,0,0,0|1,0,0]=3 874 B3R0.2 CC(=O)[O-] M108880 [2,0,0,0,0,0|1,0,0]=3 875 B3R0.2 CC(=O)[O-] M108882 [2,0,0,0,0,0|1,0,0]=3 876 B3R0.2 CC(=O)[O-] M108883 [2,0,0,0,0,0|1,0,0]=3 877 B3R0.2 CC(=O)[O-] M108884 [2,0,0,0,0,0|1,0,0]=3 878 B3R0.2 CC(=O)[O-] M131577 [2,0,0,0,0,0|1,0,0]=3 879 B3R0.2 CC(=O)[O-] M168281 [2,0,0,0,0,0|1,0,0]=3 880 B3R0.2 CC(=O)[O-] M302852 [2,0,0,0,0,0|1,0,0]=3 881 B3R0.2 CC(=O)[O-] M433192 [2,0,0,0,0,0|1,0,0]=3 882 B3R0.2 CC(=O)[O-] M587217 [2,0,0,0,0,0|1,0,0]=3 883 B3R0.2 CC(=O)[O-] M615748 [2,0,0,0,0,0|1,0,0]=3 884 B3R0.2 CC(=O)[O-] P100486 [2,0,0,0,0,0|1,0,0]=3 885 B3R0.2 CC(=O)[O-] P108325 [2,0,0,0,0,0|1,0,0]=3 886 B3R0.2 CC(=O)[O-] P108329 [2,0,0,0,0,0|1,0,0]=3 887 B3R0.2 CC(=O)[O-] P108330 [2,0,0,0,0,0|1,0,0]=3 888 B3R0.2 CC(=O)[O-] P111485 [2,0,0,0,0,0|1,0,0]=3 889 B3R0.2 CC(=O)[O-] P111486 [2,0,0,0,0,0|1,0,0]=3 890 B3R0.2 CC(=O)[O-] P160183 [2,0,0,0,0,0|1,0,0]=3 891 B3R0.2 CC(=O)[O-] P283478 [2,0,0,0,0,0|1,0,0]=3 892 B3R0.2 CC(=O)[O-] P283931 [2,0,0,0,0,0|1,0,0]=3 893 B3R0.2 CC(=O)[O-] P299555 [2,0,0,0,0,0|1,0,0]=3 894 B3R0.2 CC(=O)[O-] P299556 [2,0,0,0,0,0|1,0,0]=3 895 B3R0.2 CC(=O)[O-] P639156 [2,0,0,0,0,0|1,0,0]=3 896 B3R0.2 CC(=O)[O-] R102671 [2,0,0,0,0,0|1,0,0]=3 897 B3R0.2 CC(=O)[O-] R283395 [2,0,0,0,0,0|1,0,0]=3 898 B3R0.2 CC(=O)[O-] R304476 [2,0,0,0,0,0|1,0,0]=3 899 B3R0.2 CC(=O)[O-] S104731 [2,0,0,0,0,0|1,0,0]=3 900 B3R0.2 CC(=O)[O-] S104733 [2,0,0,0,0,0|1,0,0]=3 901 B3R0.2 CC(=O)[O-] S111519 [2,0,0,0,0,0|1,0,0]=3 902 B3R0.2 CC(=O)[O-] S111520 [2,0,0,0,0,0|1,0,0]=3 903 B3R0.2 CC(=O)[O-] S111521 [2,0,0,0,0,0|1,0,0]=3 904 B3R0.2 CC(=O)[O-] S111522 [2,0,0,0,0,0|1,0,0]=3 905 B3R0.2 CC(=O)[O-] S112480 [2,0,0,0,0,0|1,0,0]=3 906 B3R0.2 CC(=O)[O-] S116316 [2,0,0,0,0,0|1,0,0]=3 907 B3R0.2 CC(=O)[O-] S116317 [2,0,0,0,0,0|1,0,0]=3 908 B3R0.2 CC(=O)[O-] S116318 [2,0,0,0,0,0|1,0,0]=3 909 B3R0.2 CC(=O)[O-] S116319 [2,0,0,0,0,0|1,0,0]=3 910 B3R0.2 CC(=O)[O-] S116320 [2,0,0,0,0,0|1,0,0]=3 911 B3R0.2 CC(=O)[O-] S118647 [2,0,0,0,0,0|1,0,0]=3 912 B3R0.2 CC(=O)[O-] S118648 [2,0,0,0,0,0|1,0,0]=3 913 B3R0.2 CC(=O)[O-] S118649 [2,0,0,0,0,0|1,0,0]=3 914 B3R0.2 CC(=O)[O-] S118650 [2,0,0,0,0,0|1,0,0]=3 915 B3R0.2 CC(=O)[O-] S118661 [2,0,0,0,0,0|1,0,0]=3 916 B3R0.2 CC(=O)[O-] S121307 [2,0,0,0,0,0|1,0,0]=3 917 B3R0.2 CC(=O)[O-] S299214 [2,0,0,0,0,0|1,0,0]=3 918 B3R0.2 CC(=O)[O-] S299215 [2,0,0,0,0,0|1,0,0]=3 919 B3R0.2 CC(=O)[O-] S301881 [2,0,0,0,0,0|1,0,0]=3 920 B3R0.2 CC(=O)[O-] S301882 [2,0,0,0,0,0|1,0,0]=3 921 B3R0.2 CC(=O)[O-] S305337 [2,0,0,0,0,0|1,0,0]=3 922 B3R0.2 CC(=O)[O-] S306014 [2,0,0,0,0,0|1,0,0]=3 923 B3R0.2 CC(=O)[O-] S331497 [2,0,0,0,0,0|1,0,0]=3 924 B3R0.2 CC(=O)[O-] S335300 [2,0,0,0,0,0|1,0,0]=3 925 B3R0.2 CC(=O)[O-] S339494 [2,0,0,0,0,0|1,0,0]=3 926 B3R0.2 CC(=O)[O-] S421119 [2,0,0,0,0,0|1,0,0]=3 927 B3R0.2 CC(=O)[O-] S431676 [2,0,0,0,0,0|1,0,0]=3 928 B3R0.2 CC(=O)[O-] S431678 [2,0,0,0,0,0|1,0,0]=3 929 B3R0.2 CC(=O)[O-] S431679 [2,0,0,0,0,0|1,0,0]=3 930 B3R0.2 CC(=O)[O-] S431680 [2,0,0,0,0,0|1,0,0]=3 931 B3R0.2 CC(=O)[O-] S434883 [2,0,0,0,0,0|1,0,0]=3 932 B3R0.2 CC(=O)[O-] T303317 [2,0,0,0,0,0|1,0,0]=3 933 B3R0.2 CC(=O)[O-] T304247 [2,0,0,0,0,0|1,0,0]=3 934 B3R0.2 CC(=O)[O-] T331924 [2,0,0,0,0,0|1,0,0]=3 935 B3R0.2 CC(=O)[O-] Z110777 [2,0,0,0,0,0|1,0,0]=3 936 B3R0.2 CC(=O)[O-] Z110779 [2,0,0,0,0,0|1,0,0]=3 937 B3R0.2 CC(=O)[O-] Z110780 [2,0,0,0,0,0|1,0,0]=3 938 B3R0.2 CC(=O)[O-] Z110957 [2,0,0,0,0,0|1,0,0]=3 939 B3R0.2 CC(=O)[O-] Z111245 [2,0,0,0,0,0|1,0,0]=3 940 B3R0.2 CC(=O)[O-] Z119378 [2,0,0,0,0,0|1,0,0]=3 941 B3R0.2 CC(=O)[O-] Z424741 [2,0,0,0,0,0|1,0,0]=3 942 B3R0.2 CC(=O)[O-] Z424969 [2,0,0,0,0,0|1,0,0]=3 943 B3R0.2 CC(=O)[O-] Z433041 [2,0,0,0,0,0|1,0,0]=3 944 B3R0.2 CC(=O)[O-] Z434712 [2,0,0,0,0,0|1,0,0]=3 945 B3R0.2 CC(=O)[O-] Z489311 [2,0,0,0,0,0|1,0,0]=3 946 B3R0.2 CC(=S)N T104039 [2,0,0,0,0,0|1,1,0]=4 947 B3R0.2 CC(=S)N T118452 [2,0,0,0,0,0|1,1,0]=4 948 B3R0.2 CC(=S)N T425171 [2,0,0,0,0,0|1,1,0]=4 949 B3R0.2 CC(=S)[O-] P106179 [2,0,0,0,0,0|1,0,1]=4 950 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,1]=4 951 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,1]=4 952 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,1]=4 953 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,1]=4 954 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,1]=4 955 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,1]=4 956 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,1]=4 957 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,1]=4 958 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,1]=4 959 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,1]=4 960 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,0,2]=4 961 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,0,2]=4 962 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,0,2]=4 963 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,0,2]=4 964 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,0,2]=4 965 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,0,2]=4 966 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,0,2]=4 967 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,0,2]=4 968 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,0,2]=4 969 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,0,2]=4 970 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,0,2]=4 971 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,0,2]=4 972 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,0,2]=4 973 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,0,2]=4 974 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,0,2]=4 975 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,0,2]=4 976 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,0,2]=4 977 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,1,1]=4 978 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|0,0,2]=4 979 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,0,2]=4 980 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,0,2]=4 981 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,0,2]=4 982 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,0,2]=4 983 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,0,2]=4 984 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,0,2]=4 985 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,0,2]=4 986 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,0,2]=4 987 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,0,2]=4 988 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|1,0,1]=4 989 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|1,0,1]=4 990 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|1,0,1]=4 991 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|1,0,1]=4 992 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|1,0,1]=4 993 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|1,0,1]=4 994 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|1,0,1]=4 995 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|1,0,1]=4 996 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,0,1]=4 997 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,0]=3 998 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,0]=3 999 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,0]=3 1000 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,0]=3 1001 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,0]=3 1002 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,0]=3 1003 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,0]=3 1004 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,0]=3 1005 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,0]=3 1006 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,0]=3 1007 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,0]=3 1008 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,0]=3 1009 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,0]=3 1010 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,0]=3 1011 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,0]=3 1012 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,0]=3 1013 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,0]=3 1014 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,0]=3 1015 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,0]=3 1016 B3R0.2 CS(=O)Cl M589856 [2,0,0,0,0,0|2,0,0]=4 1017 B3R0.2 CS(=O)[O-] S161089 [2,0,0,0,0,0|2,0,0]=4 1018 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 1019 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|0,0,2]=4 1020 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|0,0,2]=4 1021 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|1,0,0]=3 1022 B3R0.2 C[N+](=O)[O-] N102268 [2,0,0,0,0,0|2,0,0]=4 1023 B3R0.2 C[N+](=O)[O-] N109661 [2,0,0,0,0,0|2,0,0]=4 1024 B3R0.2 C[N+](=O)[O-] N109662 [2,0,0,0,0,0|2,0,0]=4 1025 B3R0.2 C[N+](=O)[O-] N109664 [2,0,0,0,0,0|2,0,0]=4 1026 B3R0.2 C[N+](=O)[O-] N109665 [2,0,0,0,0,0|2,0,0]=4 1027 B3R0.2 C[N+](=O)[O-] N109666 [2,0,0,0,0,0|2,0,0]=4 1028 B3R0.2 C[N+](=O)[O-] N119666 [2,0,0,0,0,0|2,0,0]=4 1029 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,0,0]=3 1030 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 1031 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|1,0,1]=4 1032 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|1,0,1]=4 1033 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|1,0,1]=4 1034 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,1,0]=3 1035 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|1,0,1]=4 1036 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|1,0,1]=4 1037 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|1,0,1]=4 1038 B5R0.3 C(C(=CCl)Cl)Cl T161631 [1,1,0,0,0,0|2,0,0]=4 1039 B5R0.3 C(C(C=O)O)O D134978 [1,1,0,0,0,0|1,0,1]=4 1040 B5R0.3 C(C(C=O)O)O D589509 [1,1,0,0,0,0|1,0,1]=4 1041 B5R0.3 C(C(C=O)O)O S138916 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.3 C=CC(CCl)Cl D155424 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.3 C=CC(CO)O B589259 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.3 CC(C=C)C#N M158306 [1,1,0,0,0,0|0,0,2]=4 1045 B5R0.3 CC=C(C)C#N M158305 [1,1,0,0,0,0|0,0,2]=4 1046 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|0,0,0]=2 1047 B5R0.3 CCC(=C)C=O E189230 [1,1,0,0,0,0|0,0,1]=3 1048 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|0,0,1]=3 1049 B5R0.3 CCC(=NO)C B105233 [1,1,0,0,0,0|1,0,1]=4 1050 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|0,0,1]=3 1051 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|0,0,1]=3 1052 B5R0.3 CCC(C=C)O P160532 [1,1,0,0,0,0|1,0,1]=4 1053 B5R0.3 CCN(C)N=O N114391 [1,1,0,0,0,0|2,0,0]=4 1054 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|1,0,0]=3 1055 B5R0.3 CNC(=O)C=C N189941 [1,1,0,0,0,0|1,0,0]=3 1056 B5R0.3 COC(=O)C=C M100029 [1,1,0,0,0,0|1,0,0]=3 1057 B5R0.3 COC(=O)C=C M100030 [1,1,0,0,0,0|1,0,0]=3 1058 B5R0.3 COC(=O)C=C M100032 [1,1,0,0,0,0|1,0,0]=3 1059 B5R0.3 COC(=O)C=C M100033 [1,1,0,0,0,0|1,0,0]=3 1060 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|0,0,1]=3 1061 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|0,0,1]=3 1062 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|0,0,1]=3 1063 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|0,0,1]=3 1064 B5R0.4 CS(=O)(=O)C=C M169945 [1,1,0,0,0,0|2,0,0]=4 1065 B5R0.4 C[N+](C)(C)C=C T161689 [1,1,0,0,0,0|1,0,0]=3 1066 B5R0.4 C[Si](C)(C)C=C N124096 [1,1,0,0,0,0|0,1,0]=3 1067 B5R0.4 C[Si](C)(C)C=C V111798 [1,1,0,0,0,0|0,1,0]=3 1068 B5R0.4 C[Si](C)(C=C)Cl C153511 [1,1,0,0,0,0|0,1,0]=3 1069 B5R0.4 C[Si](C=C)(Cl)Cl D154195 [1,1,0,0,0,0|1,1,0]=4 1070 B5R0.5 C(=O)(C(=O)Br)Br O167477 [1,1,0,0,0,0|2,0,0]=4 1071 B5R0.5 C(=O)(C(=O)Cl)Cl O104558 [1,1,0,0,0,0|2,0,0]=4 1072 B5R0.5 C(=O)(C(=O)Cl)Cl O434200 [1,1,0,0,0,0|2,0,0]=4 1073 B5R0.5 C(=O)(C(=O)N)N O113868 [1,1,0,0,0,0|2,0,0]=4 1074 B5R0.5 C(=O)(C(=O)O)N O138881 [1,1,0,0,0,0|2,0,0]=4 1075 B5R0.5 C(=O)(C(=O)O)O B301311 [1,1,0,0,0,0|2,0,0]=4 1076 B5R0.5 C(=O)(C(=O)O)O C111747 [1,1,0,0,0,0|2,0,0]=4 1077 B5R0.5 C(=O)(C(=O)O)O C111748 [1,1,0,0,0,0|2,0,0]=4 1078 B5R0.5 C(=O)(C(=O)O)O C118872 [1,1,0,0,0,0|2,0,0]=4 1079 B5R0.5 C(=O)(C(=O)O)O E194461 [1,1,0,0,0,0|2,0,0]=4 1080 B5R0.5 C(=O)(C(=O)O)O E332175 [1,1,0,0,0,0|2,0,0]=4 1081 B5R0.5 C(=O)(C(=O)O)O M304253 [1,1,0,0,0,0|2,0,0]=4 1082 B5R0.5 C(=O)(C(=O)O)O O107179 [1,1,0,0,0,0|2,0,0]=4 1083 B5R0.5 C(=O)(C(=O)O)O O107180 [1,1,0,0,0,0|2,0,0]=4 1084 B5R0.5 C(=O)(C(=O)O)O O107181 [1,1,0,0,0,0|2,0,0]=4 1085 B5R0.5 C(=O)(C(=O)O)O O107182 [1,1,0,0,0,0|2,0,0]=4 1086 B5R0.5 C(=O)(C(=O)O)O O111910 [1,1,0,0,0,0|2,0,0]=4 1087 B5R0.5 C(=O)(C(=O)O)O O111912 [1,1,0,0,0,0|2,0,0]=4 1088 B5R0.5 C(=O)(C(=O)O)O O111916 [1,1,0,0,0,0|2,0,0]=4 1089 B5R0.5 C(=O)(C(=O)O)O O111917 [1,1,0,0,0,0|2,0,0]=4 1090 B5R0.5 C(=O)(C(=O)O)O O111918 [1,1,0,0,0,0|2,0,0]=4 1091 B5R0.5 C(=O)(C(=O)O)O O291733 [1,1,0,0,0,0|2,0,0]=4 1092 B5R0.5 C(=O)(C(=O)O)O O291734 [1,1,0,0,0,0|2,0,0]=4 1093 B5R0.5 C(=O)(C(=O)O)O O291735 [1,1,0,0,0,0|2,0,0]=4 1094 B5R0.5 C(=O)(C(=O)O)O O291762 [1,1,0,0,0,0|2,0,0]=4 1095 B5R0.5 C(=O)(C(=O)O)O O301562 [1,1,0,0,0,0|2,0,0]=4 1096 B5R0.5 C(=O)(C(=O)O)O O421641 [1,1,0,0,0,0|2,0,0]=4 1097 B5R0.5 C(=O)(C(=O)O)O O432116 [1,1,0,0,0,0|2,0,0]=4 1098 B5R0.5 C(=O)(C(=O)O)O O433119 [1,1,0,0,0,0|2,0,0]=4 1099 B5R0.5 C(=O)(C(=O)O)O O433120 [1,1,0,0,0,0|2,0,0]=4 1100 B5R0.5 C(=O)(C(=O)O)O O639870 [1,1,0,0,0,0|2,0,0]=4 1101 B5R0.5 C(=O)(C(=O)O)O P639574 [1,1,0,0,0,0|2,0,0]=4 1102 B5R0.5 C(=O)(C(=O)O)O V302994 [1,1,0,0,0,0|2,0,0]=4 1103 B5R0.5 C(=O)(C(=O)[O-])N O159953 [1,1,0,0,0,0|2,0,0]=4 1104 B5R0.5 C(=O)(C(=O)[O-])N S123221 [1,1,0,0,0,0|2,0,0]=4 1105 B5R0.5 C(=O)(C(=O)[O-])O P112431 [1,1,0,0,0,0|2,0,0]=4 1106 B5R0.5 C(=O)(C(=O)[O-])O P112432 [1,1,0,0,0,0|2,0,0]=4 1107 B5R0.5 C(=O)(C(=O)[O-])[O-] A107177 [1,1,0,0,0,0|2,0,0]=4 1108 B5R0.5 C(=O)(C(=O)[O-])[O-] A111621 [1,1,0,0,0,0|2,0,0]=4 1109 B5R0.5 C(=O)(C(=O)[O-])[O-] A111623 [1,1,0,0,0,0|2,0,0]=4 1110 B5R0.5 C(=O)(C(=O)[O-])[O-] A111624 [1,1,0,0,0,0|2,0,0]=4 1111 B5R0.5 C(=O)(C(=O)[O-])[O-] A111625 [1,1,0,0,0,0|2,0,0]=4 1112 B5R0.5 C(=O)(C(=O)[O-])[O-] A111626 [1,1,0,0,0,0|2,0,0]=4 1113 B5R0.5 C(=O)(C(=O)[O-])[O-] A189700 [1,1,0,0,0,0|2,0,0]=4 1114 B5R0.5 C(=O)(C(=O)[O-])[O-] C104249 [1,1,0,0,0,0|2,0,0]=4 1115 B5R0.5 C(=O)(C(=O)[O-])[O-] C104338 [1,1,0,0,0,0|2,0,0]=4 1116 B5R0.5 C(=O)(C(=O)[O-])[O-] C304075 [1,1,0,0,0,0|2,0,0]=4 1117 B5R0.5 C(=O)(C(=O)[O-])[O-] D332176 [1,1,0,0,0,0|2,0,0]=4 1118 B5R0.5 C(=O)(C(=O)[O-])[O-] E283493 [1,1,0,0,0,0|2,0,0]=4 1119 B5R0.5 C(=O)(C(=O)[O-])[O-] G335314 [1,1,0,0,0,0|2,0,0]=4 1120 B5R0.5 C(=O)(C(=O)[O-])[O-] I104328 [1,1,0,0,0,0|2,0,0]=4 1121 B5R0.5 C(=O)(C(=O)[O-])[O-] I104329 [1,1,0,0,0,0|2,0,0]=4 1122 B5R0.5 C(=O)(C(=O)[O-])[O-] I196235 [1,1,0,0,0,0|2,0,0]=4 1123 B5R0.5 C(=O)(C(=O)[O-])[O-] I283342 [1,1,0,0,0,0|2,0,0]=4 1124 B5R0.5 C(=O)(C(=O)[O-])[O-] L193903 [1,1,0,0,0,0|2,0,0]=4 1125 B5R0.5 C(=O)(C(=O)[O-])[O-] L345282 [1,1,0,0,0,0|2,0,0]=4 1126 B5R0.5 C(=O)(C(=O)[O-])[O-] L401056 [1,1,0,0,0,0|2,0,0]=4 1127 B5R0.5 C(=O)(C(=O)[O-])[O-] M304150 [1,1,0,0,0,0|2,0,0]=4 1128 B5R0.5 C(=O)(C(=O)[O-])[O-] N189075 [1,1,0,0,0,0|2,0,0]=4 1129 B5R0.5 C(=O)(C(=O)[O-])[O-] N190420 [1,1,0,0,0,0|2,0,0]=4 1130 B5R0.5 C(=O)(C(=O)[O-])[O-] N418669 [1,1,0,0,0,0|2,0,0]=4 1131 B5R0.5 C(=O)(C(=O)[O-])[O-] P100094 [1,1,0,0,0,0|2,0,0]=4 1132 B5R0.5 C(=O)(C(=O)[O-])[O-] P100095 [1,1,0,0,0,0|2,0,0]=4 1133 B5R0.5 C(=O)(C(=O)[O-])[O-] P111570 [1,1,0,0,0,0|2,0,0]=4 1134 B5R0.5 C(=O)(C(=O)[O-])[O-] P111574 [1,1,0,0,0,0|2,0,0]=4 1135 B5R0.5 C(=O)(C(=O)[O-])[O-] P111576 [1,1,0,0,0,0|2,0,0]=4 1136 B5R0.5 C(=O)(C(=O)[O-])[O-] P299230 [1,1,0,0,0,0|2,0,0]=4 1137 B5R0.5 C(=O)(C(=O)[O-])[O-] S112348 [1,1,0,0,0,0|2,0,0]=4 1138 B5R0.5 C(=O)(C(=O)[O-])[O-] S112353 [1,1,0,0,0,0|2,0,0]=4 1139 B5R0.5 C(=O)(C(=O)[O-])[O-] S112355 [1,1,0,0,0,0|2,0,0]=4 1140 B5R0.5 C(=O)(C(=O)[O-])[O-] S112356 [1,1,0,0,0,0|2,0,0]=4 1141 B5R0.5 C(=O)(C(=O)[O-])[O-] S112992 [1,1,0,0,0,0|2,0,0]=4 1142 B5R0.5 C(=O)(C(=O)[O-])[O-] S117539 [1,1,0,0,0,0|2,0,0]=4 1143 B5R0.5 C(=O)(C(=O)[O-])[O-] S299314 [1,1,0,0,0,0|2,0,0]=4 1144 B5R0.5 C(=O)(C(=O)[O-])[O-] S304156 [1,1,0,0,0,0|2,0,0]=4 1145 B5R0.5 C(=O)(C(=O)[O-])[O-] T100112 [1,1,0,0,0,0|2,0,0]=4 1146 B5R0.5 C(=O)(C(=O)[O-])[O-] Y283407 [1,1,0,0,0,0|2,0,0]=4 1147 B5R0.5 C(=O)(C(=O)[O-])[O-] Z303988 [1,1,0,0,0,0|2,0,0]=4 1148 B5R0.5 C=C(C(=O)O)F F193388 [1,1,0,0,0,0|1,0,1]=4 1149 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|0,0,1]=3 1150 B5R0.5 CC(=C)C(=C)C D155426 [1,1,0,0,0,0|0,0,1]=3 1151 B5R0.5 CC(=C)C(=O)C I107938 [1,1,0,0,0,0|0,0,1]=3 1152 B5R0.5 CC(=C)C(=O)Cl M109517 [1,1,0,0,0,0|0,0,1]=3 1153 B5R0.5 CC(=C)C(=O)Cl M299463 [1,1,0,0,0,0|0,0,1]=3 1154 B5R0.5 CC(=C)C(=O)N M104042 [1,1,0,0,0,0|0,0,1]=3 1155 B5R0.5 CC(=C)C(=O)O M102640 [1,1,0,0,0,0|0,0,1]=3 1156 B5R0.5 CC(=C)C(=O)O M102641 [1,1,0,0,0,0|0,0,1]=3 1157 B5R0.5 CC(=C)C(=O)O M102642 [1,1,0,0,0,0|0,0,1]=3 1158 B5R0.5 CC(=C)C(=O)O M434201 [1,1,0,0,0,0|0,0,1]=3 1159 B5R0.5 CC(=C)C(=O)[O-] C347801 [1,1,0,0,0,0|0,0,1]=3 1160 B5R0.5 CC(=C)C(=O)[O-] P304402 [1,1,0,0,0,0|0,0,1]=3 1161 B5R0.5 CC(=C)C(=O)[O-] P580750 [1,1,0,0,0,0|0,0,1]=3 1162 B5R0.5 CC(=C)C(=O)[O-] S103167 [1,1,0,0,0,0|0,0,1]=3 1163 B5R0.5 CC(=C)C(=O)[O-] Z102681 [1,1,0,0,0,0|0,0,1]=3 1164 B5R0.5 CC(=C)C(O)=O P477951 [1,1,0,0,0,0|0,0,1]=3 1165 B5R0.5 CC(=O)C(=O)C B104601 [1,1,0,0,0,0|1,0,0]=3 1166 B5R0.5 CC(=O)C(=O)C B104602 [1,1,0,0,0,0|1,0,0]=3 1167 B5R0.5 CC(=O)C(=O)C B104603 [1,1,0,0,0,0|1,0,0]=3 1168 B5R0.5 CC(=O)C(=O)C B432715 [1,1,0,0,0,0|1,0,0]=3 1169 B5R0.5 CC(=O)C(=O)O P104136 [1,1,0,0,0,0|1,0,0]=3 1170 B5R0.5 CC(=O)C(=O)O P104138 [1,1,0,0,0,0|1,0,0]=3 1171 B5R0.5 CC(=O)C(=O)O P421121 [1,1,0,0,0,0|1,0,0]=3 1172 B5R0.5 CC(=O)C(=O)[O-] C135949 [1,1,0,0,0,0|1,0,0]=3 1173 B5R0.5 CC(=O)C(=O)[O-] L157766 [1,1,0,0,0,0|1,0,0]=3 1174 B5R0.5 CC(=O)C(=O)[O-] P332759 [1,1,0,0,0,0|1,0,0]=3 1175 B5R0.5 CC(=O)C(=O)[O-] S104174 [1,1,0,0,0,0|1,0,0]=3 1176 B5R0.5 CC(=O)C(=O)[O-] S345696 [1,1,0,0,0,0|1,0,0]=3 1177 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|1,0,0]=3 1178 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|1,0,0]=3 1179 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|1,0,0]=3 1180 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|1,0,0]=3 1181 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|1,0,0]=3 1182 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|1,0,0]=3 1183 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|1,0,0]=3 1184 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|1,0,0]=3 1185 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|1,0,1]=4 1186 B5R0.5 CC(C(=O)Br)Br B106918 [1,1,0,0,0,0|1,0,1]=4 1187 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|1,0,1]=4 1188 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|1,0,1]=4 1189 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|1,0,1]=4 1190 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|1,0,1]=4 1191 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|1,0,1]=4 1192 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|1,0,1]=4 1193 B5R0.5 CC(C(=O)Cl)Br B119905 [1,1,0,0,0,0|1,0,1]=4 1194 B5R0.5 CC(C(=O)Cl)Cl C102420 [1,1,0,0,0,0|1,0,1]=4 1195 B5R0.5 CC(C(=O)Cl)Cl C401784 [1,1,0,0,0,0|1,0,1]=4 1196 B5R0.5 CC(C(=O)N)Br B474352 [1,1,0,0,0,0|1,0,1]=4 1197 B5R0.5 CC(C(=O)N)Cl C169221 [1,1,0,0,0,0|1,0,1]=4 1198 B5R0.5 CC(C(=O)N)N A117207 [1,1,0,0,0,0|1,0,1]=4 1199 B5R0.5 CC(C(=O)N)N H589984 [1,1,0,0,0,0|1,0,1]=4 1200 B5R0.5 CC(C(=O)N)N R192946 [1,1,0,0,0,0|1,0,1]=4 1201 B5R0.5 CC(C(=O)N)O R139052 [1,1,0,0,0,0|1,0,1]=4 1202 B5R0.5 CC(C(=O)N)O S469819 [1,1,0,0,0,0|1,0,1]=4 1203 B5R0.5 CC(C(=O)O)Br B106080 [1,1,0,0,0,0|1,0,1]=4 1204 B5R0.5 CC(C(=O)O)Br B106920 [1,1,0,0,0,0|1,0,1]=4 1205 B5R0.5 CC(C(=O)O)Br R160937 [1,1,0,0,0,0|1,0,1]=4 1206 B5R0.5 CC(C(=O)O)Cl C106527 [1,1,0,0,0,0|1,0,1]=4 1207 B5R0.5 CC(C(=O)O)Cl C109467 [1,1,0,0,0,0|1,0,1]=4 1208 B5R0.5 CC(C(=O)O)Cl C140796 [1,1,0,0,0,0|1,0,1]=4 1209 B5R0.5 CC(C(=O)O)Cl R160939 [1,1,0,0,0,0|1,0,1]=4 1210 B5R0.5 CC(C(=O)O)F F469437 [1,1,0,0,0,0|1,0,1]=4 1211 B5R0.5 CC(C(=O)O)N A100051 [1,1,0,0,0,0|1,0,1]=4 1212 B5R0.5 CC(C(=O)O)N A108263 [1,1,0,0,0,0|1,0,1]=4 1213 B5R0.5 CC(C(=O)O)N A109095 [1,1,0,0,0,0|1,0,1]=4 1214 B5R0.5 CC(C(=O)O)N A117757 [1,1,0,0,0,0|1,0,1]=4 1215 B5R0.5 CC(C(=O)O)N A117758 [1,1,0,0,0,0|1,0,1]=4 1216 B5R0.5 CC(C(=O)O)N A118860 [1,1,0,0,0,0|1,0,1]=4 1217 B5R0.5 CC(C(=O)O)N D423466 [1,1,0,0,0,0|1,0,1]=4 1218 B5R0.5 CC(C(=O)O)N D472023 [1,1,0,0,0,0|1,0,1]=4 1219 B5R0.5 CC(C(=O)O)N D474151 [1,1,0,0,0,0|1,0,1]=4 1220 B5R0.5 CC(C(=O)O)N L424776 [1,1,0,0,0,0|1,0,1]=4 1221 B5R0.5 CC(C(=O)O)N S432937 [1,1,0,0,0,0|1,0,1]=4 1222 B5R0.5 CC(C(=O)O)O L107595 [1,1,0,0,0,0|1,0,1]=4 1223 B5R0.5 CC(C(=O)O)O L107596 [1,1,0,0,0,0|1,0,1]=4 1224 B5R0.5 CC(C(=O)O)O L108839 [1,1,0,0,0,0|1,0,1]=4 1225 B5R0.5 CC(C(=O)O)O L108841 [1,1,0,0,0,0|1,0,1]=4 1226 B5R0.5 CC(C(=O)O)O L122089 [1,1,0,0,0,0|1,0,1]=4 1227 B5R0.5 CC(C(=O)O)O L122090 [1,1,0,0,0,0|1,0,1]=4 1228 B5R0.5 CC(C(=O)O)O L291729 [1,1,0,0,0,0|1,0,1]=4 1229 B5R0.5 CC(C(=O)O)O L291730 [1,1,0,0,0,0|1,0,1]=4 1230 B5R0.5 CC(C(=O)O)O L291731 [1,1,0,0,0,0|1,0,1]=4 1231 B5R0.5 CC(C(=O)O)O L291732 [1,1,0,0,0,0|1,0,1]=4 1232 B5R0.5 CC(C(=O)O)O L425989 [1,1,0,0,0,0|1,0,1]=4 1233 B5R0.5 CC(C(=O)O)O P169115 [1,1,0,0,0,0|1,0,1]=4 1234 B5R0.5 CC(C(=O)O)O S161106 [1,1,0,0,0,0|1,0,1]=4 1235 B5R0.5 CC(C(=O)O)S T162374 [1,1,0,0,0,0|1,0,1]=4 1236 B5R0.5 CC(C(=O)[O-])O A303861 [1,1,0,0,0,0|1,0,1]=4 1237 B5R0.5 CC(C(=O)[O-])O C110506 [1,1,0,0,0,0|1,0,1]=4 1238 B5R0.5 CC(C(=O)[O-])O C304709 [1,1,0,0,0,0|1,0,1]=4 1239 B5R0.5 CC(C(=O)[O-])O D304649 [1,1,0,0,0,0|1,0,1]=4 1240 B5R0.5 CC(C(=O)[O-])O I350723 [1,1,0,0,0,0|1,0,1]=4 1241 B5R0.5 CC(C(=O)[O-])O L104219 [1,1,0,0,0,0|1,0,1]=4 1242 B5R0.5 CC(C(=O)[O-])O L133140 [1,1,0,0,0,0|1,0,1]=4 1243 B5R0.5 CC(C(=O)[O-])O M305218 [1,1,0,0,0,0|1,0,1]=4 1244 B5R0.5 CC(C(=O)[O-])O P113770 [1,1,0,0,0,0|1,0,1]=4 1245 B5R0.5 CC(C(=O)[O-])O P305067 [1,1,0,0,0,0|1,0,1]=4 1246 B5R0.5 CC(C(=O)[O-])O S108837 [1,1,0,0,0,0|1,0,1]=4 1247 B5R0.5 CC(C(=O)[O-])O S108838 [1,1,0,0,0,0|1,0,1]=4 1248 B5R0.5 CC(C(=O)[O-])O S301759 [1,1,0,0,0,0|1,0,1]=4 1249 B5R0.5 CC(C(=O)[O-])O S302327 [1,1,0,0,0,0|1,0,1]=4 1250 B5R0.5 CC(C(=O)[O-])O S334655 [1,1,0,0,0,0|1,0,1]=4 1251 B5R0.5 CC(C(=O)[O-])O S426464 [1,1,0,0,0,0|1,0,1]=4 1252 B5R0.5 CC(C(=O)[O-])O S465689 [1,1,0,0,0,0|1,0,1]=4 1253 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|0,0,1]=3 1254 B5R0.5 CC(C)C(=N)N I335550 [1,1,0,0,0,0|1,0,1]=4 1255 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,0,1]=3 1256 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,0,1]=3 1257 B5R0.5 CC(C)C(=O)Cl I107549 [1,1,0,0,0,0|0,0,1]=3 1258 B5R0.5 CC(C)C(=O)N I157612 [1,1,0,0,0,0|0,0,1]=3 1259 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|0,0,1]=3 1260 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|0,0,1]=3 1261 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|0,0,1]=3 1262 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|0,0,1]=3 1263 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|0,0,1]=3 1264 B5R0.5 CC(C)C(=O)[O-] P160181 [1,1,0,0,0,0|0,0,1]=3 1265 B5R0.5 CC(C)C(=S)N T140153 [1,1,0,0,0,0|0,1,1]=4 1266 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,1,0,0,0,0|1,0,1]=4 1267 B5R0.5 CN(C)C(=N)N D154660 [1,1,0,0,0,0|2,0,0]=4 1268 B5R0.5 CN(C)C(=O)Cl D106525 [1,1,0,0,0,0|1,0,0]=3 1269 B5R0.5 CN(C)C(=O)N D155381 [1,1,0,0,0,0|1,0,0]=3 1270 B5R0.5 CN(C)C(=S)Cl N135547 [1,1,0,0,0,0|1,1,0]=4 1271 B5R0.5 CN(C)C(=S)S D154695 [1,1,0,0,0,0|1,1,0]=4 1272 B5R0.5 CN(C)C(=S)[S-] C154089 [1,1,0,0,0,0|1,1,0]=4 1273 B5R0.5 CN(C)C(=S)[S-] F114609 [1,1,0,0,0,0|1,1,0]=4 1274 B5R0.5 CN(C)C(=S)[S-] F137780 [1,1,0,0,0,0|1,1,0]=4 1275 B5R0.5 CN(C)C(=S)[S-] S106280 [1,1,0,0,0,0|1,1,0]=4 1276 B5R0.5 CN(C)C(=S)[S-] Z162995 [1,1,0,0,0,0|1,1,0]=4 1277 B5R0.5 C[N+](=C(Cl)Cl)C D155316 [1,1,0,0,0,0|2,0,0]=4 1278 B5R0.2 C(=O)NNC=O W135234 [1,1,0,0,0,0|2,0,0]=4 1279 B5R0.2 C(C=CCBr)Br T121197 [1,1,0,0,0,0|1,0,1]=4 1280 B5R0.2 C(C=CCCl)Cl C141162 [1,1,0,0,0,0|1,0,1]=4 1281 B5R0.2 C(C=CCCl)Cl D102461 [1,1,0,0,0,0|1,0,1]=4 1282 B5R0.2 C(C=CCCl)Cl D102462 [1,1,0,0,0,0|1,0,1]=4 1283 B5R0.2 C(C=CCCl)Cl D155430 [1,1,0,0,0,0|1,0,1]=4 1284 B5R0.2 C(C=CCO)O B107560 [1,1,0,0,0,0|0,0,2]=4 1285 B5R0.2 C(C=CCO)O B111227 [1,1,0,0,0,0|0,0,2]=4 1286 B5R0.2 C(C=CCO)O T162684 [1,1,0,0,0,0|0,0,2]=4 1287 B5R0.2 CC=CC=CC H113628 [1,1,0,0,0,0|1,0,0]=3 1288 B5R0.2 CC=CCC#N P338284 [1,1,0,0,0,0|1,0,1]=4 1289 B5R0.2 CC=CCC=C H157263 [1,1,0,0,0,0|1,0,0]=3 1290 B5R0.2 CC=CCC=C T162375 [1,1,0,0,0,0|1,0,0]=3 1291 B5R0.2 CCC=CC#N P160478 [1,1,0,0,0,0|1,0,1]=4 1292 B5R0.2 CCC=CC=O T161487 [1,1,0,0,0,0|0,0,0]=2 1293 B5R0.2 CCC=CCC C153487 [1,1,0,0,0,0|1,0,1]=4 1294 B5R0.2 CCC=CCC H157267 [1,1,0,0,0,0|1,0,1]=4 1295 B5R0.2 CCC=CCC T162372 [1,1,0,0,0,0|1,0,1]=4 1296 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|0,0,2]=4 1297 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|0,0,2]=4 1298 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|1,0,1]=4 1299 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|1,0,1]=4 1300 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|1,0,1]=4 1301 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|0,0,2]=4 1302 B5R0.2 CCCOC=O P160055 [1,1,0,0,0,0|0,0,2]=4 1303 B5R0.2 CCOC=CC E122346 [1,1,0,0,0,0|1,0,1]=4 1304 B5R0.2 CSCCC=O M109548 [1,1,0,0,0,0|0,0,2]=4 1305 B7R0.2 CC(=CC(=O)OC)C M102001 [0,2,0,0,0,0|0,0,0]=2 1306 B7R0.2 CC(=CC(=O)OC)N A102015 [0,2,0,0,0,0|1,0,0]=3 1307 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,2,0,0,0,0|1,0,0]=3 1308 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,2,0,0,0,0|1,0,0]=3 1309 B7R0.2 CC(=O)CC(=O)OC M108598 [0,2,0,0,0,0|1,0,1]=4 1310 B7R0.2 CC(=O)CC(=O)OC M108599 [0,2,0,0,0,0|1,0,1]=4 1311 B7R0.2 CC(=O)CC(=O)OC M108601 [0,2,0,0,0,0|1,0,1]=4 1312 B7R0.2 CC(=O)NC(=O)NC A151230 [0,2,0,0,0,0|2,0,0]=4 1313 B7R0.2 CC(C)CC(=O)OC M157988 [0,2,0,0,0,0|0,0,2]=4 1314 B7R0.2 CC(C)NC(=O)C=C I106818 [0,2,0,0,0,0|1,0,1]=4 1315 B7R0.2 CC(C)NC(=O)C=C P303215 [0,2,0,0,0,0|1,0,1]=4 1316 B7R0.2 CC(C)NC(=O)C=C P432408 [0,2,0,0,0,0|1,0,1]=4 1317 B7R0.2 CC(C)NC(=O)CBr B194928 [0,2,0,0,0,0|1,0,1]=4 1318 B7R0.2 CC(C)OC(=O)C=C I589892 [0,2,0,0,0,0|1,0,1]=4 1319 B7R0.2 CC(C)OC(=O)CCl I157694 [0,2,0,0,0,0|1,0,1]=4 1320 B7R0.2 CCC(=O)CC(=O)C H192611 [0,2,0,0,0,0|1,0,1]=4 1321 B7R0.2 CCC(=O)CC(C)C E156458 [0,2,0,0,0,0|0,0,2]=4 1322 B7R0.2 CCC(=O)OC(C)C I157496 [0,2,0,0,0,0|1,0,1]=4 1323 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|0,0,2]=4 1324 B7R0.2 CCC(C)OC(=O)C B108576 [0,2,0,0,0,0|1,0,1]=4 1325 B7R0.2 CCC(C)OC(=O)C B108578 [0,2,0,0,0,0|1,0,1]=4 1326 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,2,0,0,0,0|1,0,1]=4 1327 B7R0.2 CN(C)CC(=O)OC N304465 [0,2,0,0,0,0|1,0,1]=4 1328 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,2,0,0,0,0|1,0,1]=4 1329 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,2,0,0,0,0|1,0,1]=4 1330 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,2,0,0,0,0|1,0,1]=4 1331 B7R0.2 COC(=O)CC(=O)O M132669 [0,2,0,0,0,0|1,0,1]=4 1332 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,2,0,0,0,0|1,0,1]=4 1333 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,2,0,0,0,0|1,0,0]=3 1334 B7R0.3 CCC(C=CC=O)O E347259 [0,2,0,0,0,0|1,0,1]=4 1335 B7R0.3 COC(=O)C=CC=C M167458 [0,2,0,0,0,0|2,0,0]=4 1336 B7R0.3 COC(=O)C=CC=O M158237 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.3 COC(=O)C=CCBr M137638 [0,2,0,0,0,0|2,0,0]=4 1338 B7R0.3 COC(=O)C=CCBr M158855 [0,2,0,0,0,0|2,0,0]=4 1339 B7R0.3 COC=CC(=O)OC M105075 [0,2,0,0,0,0|1,0,1]=4 1340 B7R0.3 COC=CC(=O)OC M135197 [0,2,0,0,0,0|1,0,1]=4 1341 B7R0.5 CC(=C)C(=O)OC=C V162960 [0,2,0,0,0,0|1,0,1]=4 1342 B7R0.7 CCOC(=O)C=CC E156252 [0,2,0,0,0,0|2,0,0]=4 1343 B7R0.7 CCOC(=O)C=C[O-] E176875 [0,2,0,0,0,0|1,0,1]=4 1344 B7R0.10 CC=C(C)C(=O)OC M158196 [0,2,0,0,0,0|2,0,0]=4 1345 B7R0.9 CC(=CC(C)(C)C)C T161796 [0,2,0,0,0,0|1,0,1]=4 1346 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,2,0,0,0,0|0,0,2]=4 1347 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,2,0,0,0,0|0,0,2]=4 1348 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,2,0,0,0,0|0,0,2]=4 1349 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,2,0,0,0,0|0,0,2]=4 1350 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,2,0,0,0,0|0,0,2]=4 1351 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,2,0,0,0,0|0,0,2]=4 1352 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,2,0,0,0,0|0,0,2]=4 1353 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,2,0,0,0,0|1,1,0]=4 1354 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,2,0,0,0,0|1,0,1]=4 1355 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,2,0,0,0,0|1,1,0]=4 1356 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,2,0,0,0,0|0,0,2]=4 1357 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,2,0,0,0,0|0,0,2]=4 1358 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,2,0,0,0,0|1,0,1]=4 1359 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,2,0,0,0,0|0,0,2]=4 1360 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,2,0,0,0,0|0,0,2]=4 1361 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [0,2,0,0,0,0|1,0,1]=4 1364 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [0,2,0,0,0,0|1,0,1]=4 1365 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [0,2,0,0,0,0|1,0,1]=4 1366 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [0,2,0,0,0,0|1,0,1]=4 1367 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,2,0,0,0,0|0,1,1]=4 1368 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,2,0,0,0,0|1,0,1]=4 1369 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,2,0,0,0,0|0,0,1]=3 1370 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,2,0,0,0,0|0,0,1]=3 1371 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,2,0,0,0,0|0,0,1]=3 1372 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,2,0,0,0,0|0,0,1]=3 1373 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,2,0,0,0,0|0,0,1]=3 1374 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,2,0,0,0,0|0,0,2]=4 1375 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,2,0,0,0,0|0,0,2]=4 1376 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,2,0,0,0,0|0,0,2]=4 1377 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,2,0,0,0,0|0,0,2]=4 1378 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,2,0,0,0,0|0,0,2]=4 1379 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,2,0,0,0,0|0,0,2]=4 1380 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,2,0,0,0,0|0,0,2]=4 1381 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,2,0,0,0,0|0,0,2]=4 1382 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,2,0,0,0,0|0,0,2]=4 1383 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,2,0,0,0,0|0,0,2]=4 1384 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,2,0,0,0,0|0,0,2]=4 1385 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,2,0,0,0,0|0,0,2]=4 1386 B7R0.15 CC(=C(C#N)C#N)C I157653 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.4 CC(C)CCOC=O I117534 [0,2,0,0,0,0|0,0,2]=4 1388 B7R0.4 CC(C)CCOC=O I137773 [0,2,0,0,0,0|0,0,2]=4 1389 B7R0.4 CC=CC=CC(=O)C H156931 [0,2,0,0,0,0|2,0,0]=4 1390 B7R0.4 CCCC=CC(=O)C H156932 [0,2,0,0,0,0|2,0,0]=4 1391 B7R0.6 C(=CC(=O)Cl)C(=O)Cl F136211 [0,2,0,0,0,0|2,0,0]=4 1392 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [0,2,0,0,0,0|2,0,0]=4 1393 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [0,2,0,0,0,0|2,0,0]=4 1394 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [0,2,0,0,0,0|2,0,0]=4 1395 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,2,0,0,0,0|2,0,0]=4 1396 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,2,0,0,0,0|2,0,0]=4 1397 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,2,0,0,0,0|2,0,0]=4 1398 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,2,0,0,0,0|2,0,0]=4 1399 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,2,0,0,0,0|2,0,0]=4 1400 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,2,0,0,0,0|2,0,0]=4 1401 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,2,0,0,0,0|2,0,0]=4 1402 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,2,0,0,0,0|2,0,0]=4 1403 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,2,0,0,0,0|2,0,0]=4 1404 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,2,0,0,0,0|2,0,0]=4 1406 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,2,0,0,0,0|2,0,0]=4 1407 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [0,2,0,0,0,0|2,0,0]=4 1409 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] D154295 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] I302832 [0,2,0,0,0,0|2,0,0]=4 1411 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] M134639 [0,2,0,0,0,0|2,0,0]=4 1412 B7R0.6 CC(=C)COC(=O)C M158238 [0,2,0,0,0,0|0,0,2]=4 1413 B7R0.6 CC(=CC=C(C)C)C D103154 [0,2,0,0,0,0|1,0,0]=3 1414 B7R0.6 CC(=NNC(=O)N)C A112969 [0,2,0,0,0,0|1,0,0]=3 1415 B7R0.6 CC(=NNC(=S)N)C A151291 [0,2,0,0,0,0|1,1,0]=4 1416 B7R0.6 CC(=O)CCC(=O)C H106697 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.6 CC(=O)CCC(=O)C H106698 [0,2,0,0,0,0|1,0,1]=4 1418 B7R0.6 CC(=O)CCC(=O)C H106699 [0,2,0,0,0,0|1,0,1]=4 1419 B7R0.6 CC(=O)CCC(=O)O L104281 [0,2,0,0,0,0|1,0,1]=4 1420 B7R0.6 CC(=O)CCC(=O)O L278641 [0,2,0,0,0,0|1,0,1]=4 1421 B7R0.6 CC(=O)CCC(=O)O L298748 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.6 CC(=O)CCC(=O)O L421026 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.6 CC(=O)COC(=O)C A151657 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.6 CC(=O)NCC(=O)O A103973 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.6 CC(=O)OCC(=O)O A167143 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.6 CC(=O)SCC(=O)O S131714 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.6 CC(=S)NCC(=O)O N159832 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.6 CC(C)C=CC(=O)C M170732 [0,2,0,0,0,0|0,0,1]=3 1430 B7R0.6 CC(C)C=CC(=O)O M158379 [0,2,0,0,0,0|0,0,1]=3 1431 B7R0.6 CC(C)CC=C(C)C D155272 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.6 CC(C)CCC(=O)C M106666 [0,2,0,0,0,0|0,0,2]=4 1433 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,2,0,0,0,0|0,0,2]=4 1434 B7R0.6 CC(C)CCC(=O)O M117869 [0,2,0,0,0,0|0,0,2]=4 1435 B7R0.6 CC(C)COC(=O)C I110418 [0,2,0,0,0,0|0,0,2]=4 1436 B7R0.6 CC(C)COC(=O)C I110419 [0,2,0,0,0,0|0,0,2]=4 1437 B7R0.6 CC(C)COC(=O)Cl I105738 [0,2,0,0,0,0|0,0,2]=4 1438 B7R0.6 CC(C)NNC(=O)C N193444 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.6 CN(C)C=C[N+](=O)[O-] D166333 [0,2,0,0,0,0|1,0,0]=3 1440 B7R0.6 CN(C)CCC(=O)O D132248 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.8 C[Si](C)(C)C#CC=O T115786 [0,2,0,0,0,0|0,1,1]=4 1443 B7R0.8 C[Si](C)(C)C=CCO T113990 [0,2,0,0,0,0|0,1,1]=4 1444 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|0,0,1]=3 1445 B5R1.3 C=CC1CO1 V100986 [1,0,0,1,0,0|1,0,1]=4 1446 B5R1.1 C1=CNC=C1 P104877 [1,0,0,1,0,0|1,0,1]=4 1447 B5R1.1 C1=CNC=C1 P104878 [1,0,0,1,0,0|1,0,1]=4 1448 B5R1.1 C1=CNC=C1 P104879 [1,0,0,1,0,0|1,0,1]=4 1449 B5R1.1 C1=CNC=C1 P476183 [1,0,0,1,0,0|1,0,1]=4 1450 B5R1.1 C1=CNC=C1 P476334 [1,0,0,1,0,0|1,0,1]=4 1451 B5R1.1 C1=CNN=C1 P100994 [1,0,0,1,0,0|2,0,0]=4 1452 B5R1.1 C1=CNN=C1 P423007 [1,0,0,1,0,0|2,0,0]=4 1453 B5R1.1 C1=CON=C1 I133354 [1,0,0,1,0,0|1,0,1]=4 1454 B5R1.1 C1=CSC=C1 T108258 [1,0,0,1,0,0|0,1,1]=4 1455 B5R1.1 C1=CSC=C1 T108259 [1,0,0,1,0,0|0,1,1]=4 1456 B5R1.1 C1=CSN=C1 I157521 [1,0,0,1,0,0|1,1,0]=4 1457 B5R1.1 C1C=CC=[C-]1 B283543 [1,0,0,1,0,0|1,0,0]=3 1458 B5R1.1 C1C=CC=[C-]1 H157415 [1,0,0,1,0,0|1,0,0]=3 1459 B5R1.1 C1C=CC=[C-]1 T106759 [1,0,0,1,0,0|1,0,0]=3 1460 B5R1.1 C1C=CCN1 D139123 [1,0,0,1,0,0|1,0,1]=4 1461 B5R1.1 C1C=CCN1 p103550 [1,0,0,1,0,0|1,0,1]=4 1462 B5R1.1 C1C=CCO1 D101471 [1,0,0,1,0,0|0,0,2]=4 1463 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|1,0,1]=4 1464 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|1,0,1]=4 1465 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|1,0,1]=4 1466 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|0,0,2]=4 1467 B5R1.1 [CH-]1C=CC=C1 B115565 [1,0,0,1,0,0|1,0,1]=4 1468 B5R1.1 [CH-]1C=CC=C1 C113788 [1,0,0,1,0,0|1,0,1]=4 1469 B5R1.1 [CH-]1C=CC=C1 C299989 [1,0,0,1,0,0|1,0,1]=4 1470 B5R1.1 [CH-]1C=CC=C1 F108389 [1,0,0,1,0,0|1,0,1]=4 1471 B5R1.1 [CH-]1C=CC=C1 F108390 [1,0,0,1,0,0|1,0,1]=4 1472 B5R1.1 [CH-]1C=CC=C1 T283036 [1,0,0,1,0,0|1,0,1]=4 1473 B5R1.1 [CH-]1C=CC=C1 Z103200 [1,0,0,1,0,0|1,0,1]=4 1474 B7R1.1 C1=C(NN=C1)CN P115816 [0,1,0,1,0,0|2,0,0]=4 1475 B7R1.1 C1=COC(=C1)CN F111778 [0,1,0,1,0,0|2,0,0]=4 1476 B7R1.1 C1=COC(=C1)CN F493732 [0,1,0,1,0,0|2,0,0]=4 1477 B7R1.1 C1=COC(=C1)CO F110603 [0,1,0,1,0,0|2,0,0]=4 1478 B7R1.1 C1=COC(=C1)CO F110604 [0,1,0,1,0,0|2,0,0]=4 1479 B7R1.1 C1=COC(=C1)CS F102900 [0,1,0,1,0,0|2,0,0]=4 1480 B7R1.1 C1=COC=C1CO F122642 [0,1,0,1,0,0|0,0,2]=4 1481 B7R1.1 C1=CSC(=C1)CN T107120 [0,1,0,1,0,0|2,0,0]=4 1482 B7R1.1 C1=CSC(=C1)CO T162809 [0,1,0,1,0,0|2,0,0]=4 1483 B7R1.1 C1=CSC(=C1)CS T134394 [0,1,0,1,0,0|2,0,0]=4 1484 B7R1.1 C1=CSC=C1CBr B192902 [0,1,0,1,0,0|0,1,1]=4 1485 B7R1.1 C1=CSC=C1CN T123094 [0,1,0,1,0,0|0,1,1]=4 1486 B7R1.1 C1=CSC=C1CN T189819 [0,1,0,1,0,0|0,1,1]=4 1487 B7R1.1 C1=CSC=C1CO T115329 [0,1,0,1,0,0|0,1,1]=4 1488 B7R1.1 CCC1=CC=CN1 E156214 [0,1,0,1,0,0|2,0,0]=4 1489 B7R1.1 CCC1=CC=CO1 E102538 [0,1,0,1,0,0|2,0,0]=4 1490 B7R1.1 CCC1=CC=CO1 E141264 [0,1,0,1,0,0|2,0,0]=4 1491 B7R1.1 CCC1=CC=CS1 E101589 [0,1,0,1,0,0|2,0,0]=4 1492 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,1,0,1,0,0|1,0,1]=4 1493 B7R1.1 CCC1=CSC=C1 E156073 [0,1,0,1,0,0|0,1,1]=4 1494 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,1,0,1,0,0|1,0,1]=4 1495 B7R1.1 COC1=CC=CO1 M158540 [0,1,0,1,0,0|2,0,0]=4 1496 B7R1.1 COC1=CC=CS1 M103170 [0,1,0,1,0,0|2,0,0]=4 1497 B7R1.1 COC1=CC=NN1 M588136 [0,1,0,1,0,0|2,0,0]=4 1498 B7R1.1 COC1=CSC=C1 M103169 [0,1,0,1,0,0|0,1,1]=4 1499 B7R1.1 CSC1=CC=CS1 M123048 [0,1,0,1,0,0|2,0,0]=4 1500 B7R1.2 C1=C(NNC1=O)N A176721 [0,1,0,1,0,0|2,0,0]=4 1501 B7R1.2 C1=C(NNC1=O)N A192525 [0,1,0,1,0,0|2,0,0]=4 1502 B7R1.2 C1=C(SNC1=O)Cl C588436 [0,1,0,1,0,0|2,0,0]=4 1503 B7R1.2 C1=CC(=O)NC1=O M100788 [0,1,0,1,0,0|2,0,0]=4 1504 B7R1.2 C1=CC(=O)NC1=O M424627 [0,1,0,1,0,0|2,0,0]=4 1505 B7R1.2 C1=CC(=O)OC1=O M116389 [0,1,0,1,0,0|2,0,0]=4 1506 B7R1.2 C1=CC(=O)OC1=O M332470 [0,1,0,1,0,0|2,0,0]=4 1507 B7R1.2 C1=CC(=O)OC1=O P134891 [0,1,0,1,0,0|2,0,0]=4 1508 B7R1.2 C1=CC(=O)OC1=O P303284 [0,1,0,1,0,0|2,0,0]=4 1509 B7R1.2 C1=CC(=O)OC1=O P304899 [0,1,0,1,0,0|2,0,0]=4 1510 B7R1.2 C1=CC(=O)OC1=O P434514 [0,1,0,1,0,0|2,0,0]=4 1511 B7R1.2 C1=CC(=O)OC1=O P434525 [0,1,0,1,0,0|2,0,0]=4 1512 B7R1.2 C1=CC(=O)OC1=O P434526 [0,1,0,1,0,0|2,0,0]=4 1513 B7R1.2 C1=CC(=O)OC1=O P493757 [0,1,0,1,0,0|2,0,0]=4 1514 B7R1.2 C1C(=CC(=O)O1)O T103765 [0,1,0,1,0,0|1,0,0]=3 1515 B7R1.2 C1C(=O)C=CC1=O C356087 [0,1,0,1,0,0|1,0,0]=3 1516 B7R1.2 C1C(=O)COC1=O T101326 [0,1,0,1,0,0|1,0,1]=4 1517 B7R1.2 C1C(=O)N=C(S1)N A168665 [0,1,0,1,0,0|2,0,0]=4 1518 B7R1.2 C1C(=O)N=C(S1)N A193919 [0,1,0,1,0,0|2,0,0]=4 1519 B7R1.2 C1C(=O)NC(=O)N1 H100923 [0,1,0,1,0,0|2,0,0]=4 1520 B7R1.2 C1C(=O)NC(=O)S1 T109725 [0,1,0,1,0,0|2,0,0]=4 1521 B7R1.2 C1C(=O)NC(=S)N1 T135932 [0,1,0,1,0,0|2,0,0]=4 1522 B7R1.2 C1C(=O)NC(=S)S1 R104132 [0,1,0,1,0,0|2,0,0]=4 1523 B7R1.2 C1C(=O)NC(=S)S1 R104133 [0,1,0,1,0,0|2,0,0]=4 1524 B7R1.2 C1C(=O)OC(=O)N1 O132967 [0,1,0,1,0,0|2,0,0]=4 1525 B7R1.2 C1C(C=CC1=O)O H492879 [0,1,0,1,0,0|1,0,1]=4 1526 B7R1.2 C1CC(=O)CC1=O C138777 [0,1,0,1,0,0|1,0,1]=4 1527 B7R1.2 C1CC(=O)NC1=O S104077 [0,1,0,1,0,0|2,0,0]=4 1528 B7R1.2 C1CC(=O)NC1=O S104079 [0,1,0,1,0,0|2,0,0]=4 1529 B7R1.2 C1CC(=O)OC1=O S104823 [0,1,0,1,0,0|2,0,0]=4 1530 B7R1.2 C1CC(=O)OC1=O S104824 [0,1,0,1,0,0|2,0,0]=4 1531 B7R1.2 CC1=CC(=CN1)C D123132 [0,1,0,1,0,0|1,0,1]=4 1532 B7R1.2 CC1=CC(=CS1)Br B111413 [0,1,0,1,0,0|1,0,1]=4 1533 B7R1.2 CC1=CC(=CS1)C D304246 [0,1,0,1,0,0|0,1,1]=4 1534 B7R1.2 CC1=CC(=NN1)C D139167 [0,1,0,1,0,0|2,0,0]=4 1535 B7R1.2 CC1=CC(=NN1)N A151511 [0,1,0,1,0,0|2,0,0]=4 1536 B7R1.2 CC1=CC(=NO1)C D122898 [0,1,0,1,0,0|1,0,1]=4 1537 B7R1.2 CC1=CC(=NO1)N A151654 [0,1,0,1,0,0|2,0,0]=4 1538 B7R1.2 CC1=CC(=O)CC1 M109537 [0,1,0,1,0,0|0,0,0]=2 1539 B7R1.2 CC1=CC(=O)NN1 M133849 [0,1,0,1,0,0|1,0,0]=3 1540 B7R1.2 CC1=CC(=O)NO1 BWY397355 [0,1,0,1,0,0|1,0,0]=3 1541 B7R1.2 CC1=CC(=O)NO1 BWY397369 [0,1,0,1,0,0|1,0,0]=3 1542 B7R1.2 CC1=CC(=O)NO1 BWY397380 [0,1,0,1,0,0|1,0,0]=3 1543 B7R1.2 CC1=CC(=O)NO1 H109938 [0,1,0,1,0,0|1,0,0]=3 1544 B7R1.2 CC1=CC(=O)NO1 H140830 [0,1,0,1,0,0|1,0,0]=3 1545 B7R1.2 CC1=CC(=O)OC1 M158202 [0,1,0,1,0,0|0,0,0]=2 1546 B7R1.2 CC1=CC=C(N1)C D113404 [0,1,0,1,0,0|2,0,0]=4 1547 B7R1.2 CC1=CC=C(O1)C D113405 [0,1,0,1,0,0|2,0,0]=4 1548 B7R1.2 CC1=CC=C(S1)Br B101591 [0,1,0,1,0,0|2,0,0]=4 1549 B7R1.2 CC1=CC=C(S1)C D155809 [0,1,0,1,0,0|2,0,0]=4 1550 B7R1.2 CC1=CC=C(S1)Cl C153324 [0,1,0,1,0,0|2,0,0]=4 1551 B7R1.2 CC1=CC=C(S1)I I101863 [0,1,0,1,0,0|2,0,0]=4 1552 B7R1.2 CC1=CCC(=O)O1 A151155 [0,1,0,1,0,0|1,0,0]=3 1553 B7R1.2 CC1=CCC(=O)O1 A433012 [0,1,0,1,0,0|1,0,0]=3 1554 B7R1.2 CC1=CN=C(N1)C D139451 [0,1,0,1,0,0|2,0,0]=4 1555 B7R1.2 CC1=CN=C(S1)Br B152756 [0,1,0,1,0,0|2,0,0]=4 1556 B7R1.2 CC1=CN=C(S1)N A102155 [0,1,0,1,0,0|2,0,0]=4 1557 B7R1.2 CC1=COC(=N1)C D139217 [0,1,0,1,0,0|2,0,0]=4 1558 B7R1.2 CC1=COC(=N1)N M588855 [0,1,0,1,0,0|2,0,0]=4 1559 B7R1.2 CC1=CSC(=C1)Br B153082 [0,1,0,1,0,0|0,1,1]=4 1560 B7R1.2 CC1=CSC(=N1)Br B123638 [0,1,0,1,0,0|2,0,0]=4 1561 B7R1.2 CC1=CSC(=N1)C D119299 [0,1,0,1,0,0|2,0,0]=4 1562 B7R1.2 CC1=CSC(=N1)N A151202 [0,1,0,1,0,0|2,0,0]=4 1563 B7R1.2 CC1=CSC(=N1)N A167666 [0,1,0,1,0,0|2,0,0]=4 1564 B7R1.2 CC1=CSC(=S)N1 M345336 [0,1,0,1,0,0|1,1,0]=4 1565 B7R1.2 CC1=NC(=CS1)Br B176047 [0,1,0,1,0,0|2,0,0]=4 1566 B7R1.2 CC1=NC=C(N1)Br B181890 [0,1,0,1,0,0|2,0,0]=4 1567 B7R1.2 CC1=NC=C(S1)Br B344998 [0,1,0,1,0,0|2,0,0]=4 1568 B7R1.2 CC1=NN(C=C1)C D154769 [0,1,0,1,0,0|2,0,0]=4 1569 B7R1.2 CC1=NNC(=O)C1 M121614 [0,1,0,1,0,0|1,0,0]=3 1570 B7R1.2 CC1=NOC(=C1)N A151656 [0,1,0,1,0,0|1,0,1]=4 1571 B7R1.2 CC1=NSC(=C1)N A119078 [0,1,0,1,0,0|1,1,0]=4 1572 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|0,0,2]=4 1573 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,1,0,0|1,0,1]=4 1574 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|1,0,1]=4 1575 B7R1.2 CC1COC(=O)O1 P105723 [0,1,0,1,0,0|1,0,1]=4 1576 B7R1.2 CC1COC(=O)O1 P105724 [0,1,0,1,0,0|1,0,1]=4 1577 B7R1.2 CC1COC(=O)O1 P105725 [0,1,0,1,0,0|1,0,1]=4 1578 B7R1.2 CC1COC(=O)O1 P105726 [0,1,0,1,0,0|1,0,1]=4 1579 B7R1.2 CC1COC(=O)O1 P122960 [0,1,0,1,0,0|1,0,1]=4 1580 B7R1.2 CC1COC(=O)O1 S135940 [0,1,0,1,0,0|1,0,1]=4 1581 B7R1.2 CN1C=CC(=O)N1 M193770 [0,1,0,1,0,0|2,0,0]=4 1582 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,1,0,0|1,0,1]=4 1583 B7R1.3 C1COC(=O)C=C1 D155403 [0,1,0,1,0,0|2,0,0]=4 1584 B7R1.3 CC1=CC=CC=C1 T102274 [0,1,0,1,0,0|1,0,1]=4 1585 B7R1.3 CC1=CC=CC=C1 T102275 [0,1,0,1,0,0|1,0,1]=4 1586 B7R1.3 CC1=CC=CC=C1 T102276 [0,1,0,1,0,0|1,0,1]=4 1587 B7R1.3 CC1=CC=CC=C1 T399619 [0,1,0,1,0,0|1,0,1]=4 1588 B7R1.3 CC1=CC=CC=C1 T399633 [0,1,0,1,0,0|1,0,1]=4 1589 B7R1.3 CC1=CC=CC=C1 T399640 [0,1,0,1,0,0|1,0,1]=4 1590 B7R1.3 CC1=CC=CC=C1 T399643 [0,1,0,1,0,0|1,0,1]=4 1591 B7R1.3 CC1=CC=CC=C1 T399652 [0,1,0,1,0,0|1,0,1]=4 1592 B7R1.3 CC1=CC=CC=C1 T399677 [0,1,0,1,0,0|1,0,1]=4 1593 B7R1.3 CC1=CC=CC=C1 T399681 [0,1,0,1,0,0|1,0,1]=4 1594 B7R1.3 CC1=CC=CC=N1 M108694 [0,1,0,1,0,0|1,0,1]=4 1595 B7R1.3 CC1=CC=CC=N1 M108695 [0,1,0,1,0,0|1,0,1]=4 1596 B7R1.3 CC1=CC=CC=N1 P122349 [0,1,0,1,0,0|1,0,1]=4 1597 B7R1.3 CC1=CC=NC=C1 P105226 [0,1,0,1,0,0|1,0,1]=4 1598 B7R1.3 CC1=CCC=CC1 M113652 [0,1,0,1,0,0|1,0,0]=3 1599 B7R1.3 CC1=CCCCC1 M158209 [0,1,0,1,0,0|1,0,1]=4 1600 B7R1.3 CC1=CCNCC1 M178460 [0,1,0,1,0,0|1,0,1]=4 1601 B7R1.3 CC1=CN=CC=C1 P109209 [0,1,0,1,0,0|1,0,1]=4 1602 B7R1.3 CC1=CN=CC=C1 P109210 [0,1,0,1,0,0|1,0,1]=4 1603 B7R1.3 CC1=CN=CN=C1 M132067 [0,1,0,1,0,0|1,0,1]=4 1604 B7R1.3 CC1=CN=NC=C1 M157845 [0,1,0,1,0,0|1,0,1]=4 1605 B7R1.3 CC1=NC=CN=C1 M158369 [0,1,0,1,0,0|1,0,1]=4 1606 B7R1.3 CC1=NC=NC=C1 M134934 [0,1,0,1,0,0|1,0,1]=4 1607 B7R1.3 CC1=NN=CC=C1 M131781 [0,1,0,1,0,0|2,0,0]=4 1608 B7R1.3 CC1CCCC=C1 M158227 [0,1,0,1,0,0|1,0,1]=4 1609 B7R1.3 Cc1ccccn1 M141144 [0,1,0,1,0,0|1,0,1]=4 1610 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,1,0,0|2,0,0]=4 1611 B7R1.4 CC1=C(C=CO1)S M102912 [0,1,0,1,0,0|1,0,1]=4 1612 B7R1.4 CC1=C(C=CS1)Br B183547 [0,1,0,1,0,0|1,1,0]=4 1613 B7R1.4 CC1=C(C=NN1)Br B138193 [0,1,0,1,0,0|2,0,0]=4 1614 B7R1.4 CC1=C(C=NN1)I I167610 [0,1,0,1,0,0|2,0,0]=4 1615 B7R1.4 CC1=C(C=NN1)N M586416 [0,1,0,1,0,0|2,0,0]=4 1616 B7R1.4 CC1=C(N=CN1)C D589384 [0,1,0,1,0,0|2,0,0]=4 1617 B7R1.4 CC1=C(NN=C1)C D175998 [0,1,0,1,0,0|2,0,0]=4 1618 B7R1.4 CC1=C(NN=C1)C D302720 [0,1,0,1,0,0|2,0,0]=4 1619 B7R1.4 CC1=C(SC=C1)Br B103181 [0,1,0,1,0,0|0,1,1]=4 1620 B7R1.4 CC1=C(SC=C1)C D135046 [0,1,0,1,0,0|0,1,0]=3 1621 B7R1.4 CC1=C(SC=C1)Cl C101382 [0,1,0,1,0,0|0,1,1]=4 1622 B7R1.4 CC1=C(SC=N1)C D119298 [0,1,0,1,0,0|1,1,0]=4 1623 B7R1.4 CC1=CC=NN1C D154766 [0,1,0,1,0,0|1,0,0]=3 1624 B7R1.4 CC1=CCCC1=O M165952 [0,1,0,1,0,0|2,0,0]=4 1625 B7R1.4 CC1=CSC=C1Br B123867 [0,1,0,1,0,0|0,1,1]=4 1626 B7R1.4 CC1=NC=CN1C D106351 [0,1,0,1,0,0|2,0,0]=4 1627 B7R1.4 CN1C(=CC=N1)I I138694 [0,1,0,1,0,0|2,0,0]=4 1628 B7R1.4 CN1C(=CC=N1)N A180010 [0,1,0,1,0,0|2,0,0]=4 1629 B7R1.4 CN1C(=O)C=CN1 H133658 [0,1,0,1,0,0|2,0,0]=4 1630 B7R1.4 CN1C(=O)C=CS1 M110103 [0,1,0,1,0,0|1,1,0]=4 1631 B7R1.4 CN1C(=O)C=CS1 M132907 [0,1,0,1,0,0|1,1,0]=4 1632 B7R1.6 C1C(=CC#N)CO1 O165959 [0,1,0,1,0,0|1,0,1]=4 1633 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|0,0,2]=4 1634 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|0,0,2]=4 1635 B7R1.20 C1CC1CC(=O)O C134997 [0,1,0,1,0,0|0,0,2]=4