0 B5R0.5 B(B(O)O)(O)O T167102 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 B(C(C)C)(O)O I120299 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 C(=N)(N)S(=O)O T104705 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.5 C(=O)(C(=O)Br)Br O167477 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.5 C(=O)(C(=O)Cl)Cl O104558 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.5 C(=O)(C(=O)Cl)Cl O434200 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.5 C(=O)(C(=O)N)N O113868 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.5 C(=O)(C(=O)O)N O138881 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 C(=O)(C(=O)O)O B301311 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 C(=O)(C(=O)O)O C111747 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 C(=O)(C(=O)O)O C111748 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 C(=O)(C(=O)O)O C118872 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.5 C(=O)(C(=O)O)O E194461 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.5 C(=O)(C(=O)O)O E332175 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.5 C(=O)(C(=O)O)O M304253 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.5 C(=O)(C(=O)O)O O107179 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.5 C(=O)(C(=O)O)O O107180 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.5 C(=O)(C(=O)O)O O107181 [0,0,0,0,0,0|1,0,1]=2 18 B5R0.5 C(=O)(C(=O)O)O O107182 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.5 C(=O)(C(=O)O)O O111910 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.5 C(=O)(C(=O)O)O O111912 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.5 C(=O)(C(=O)O)O O111916 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 C(=O)(C(=O)O)O O111917 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 C(=O)(C(=O)O)O O111918 [0,0,0,0,0,0|1,0,1]=2 24 B5R0.5 C(=O)(C(=O)O)O O291733 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.5 C(=O)(C(=O)O)O O291734 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.5 C(=O)(C(=O)O)O O291735 [0,0,0,0,0,0|1,0,1]=2 27 B5R0.5 C(=O)(C(=O)O)O O291762 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.5 C(=O)(C(=O)O)O O301562 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.5 C(=O)(C(=O)O)O O421641 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.5 C(=O)(C(=O)O)O O432116 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.5 C(=O)(C(=O)O)O O433119 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.5 C(=O)(C(=O)O)O O433120 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.5 C(=O)(C(=O)O)O O639870 [0,0,0,0,0,0|1,0,1]=2 34 B5R0.5 C(=O)(C(=O)O)O P639574 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.5 C(=O)(C(=O)O)O V302994 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.5 C(=O)(C(=O)[O-])N O159953 [0,0,0,0,0,0|1,0,3]=4 37 B5R0.5 C(=O)(C(=O)[O-])N S123221 [0,0,0,0,0,0|1,0,3]=4 38 B5R0.5 C(=O)(C(=O)[O-])O P112431 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.5 C(=O)(C(=O)[O-])O P112432 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.5 C(=O)(C(=O)[O-])[O-] A107177 [0,0,0,0,0,0|1,0,3]=4 41 B5R0.5 C(=O)(C(=O)[O-])[O-] A111621 [0,0,0,0,0,0|1,0,3]=4 42 B5R0.5 C(=O)(C(=O)[O-])[O-] A111623 [0,0,0,0,0,0|1,0,3]=4 43 B5R0.5 C(=O)(C(=O)[O-])[O-] A111624 [0,0,0,0,0,0|1,0,3]=4 44 B5R0.5 C(=O)(C(=O)[O-])[O-] A111625 [0,0,0,0,0,0|1,0,3]=4 45 B5R0.5 C(=O)(C(=O)[O-])[O-] A111626 [0,0,0,0,0,0|1,0,3]=4 46 B5R0.5 C(=O)(C(=O)[O-])[O-] A189700 [0,0,0,0,0,0|1,0,3]=4 47 B5R0.5 C(=O)(C(=O)[O-])[O-] C104249 [0,0,0,0,0,0|1,0,3]=4 48 B5R0.5 C(=O)(C(=O)[O-])[O-] C104338 [0,0,0,0,0,0|1,0,3]=4 49 B5R0.5 C(=O)(C(=O)[O-])[O-] C304075 [0,0,0,0,0,0|1,0,3]=4 50 B5R0.5 C(=O)(C(=O)[O-])[O-] D332176 [0,0,0,0,0,0|1,0,3]=4 51 B5R0.5 C(=O)(C(=O)[O-])[O-] E283493 [0,0,0,0,0,0|1,0,3]=4 52 B5R0.5 C(=O)(C(=O)[O-])[O-] G335314 [0,0,0,0,0,0|1,0,3]=4 53 B5R0.5 C(=O)(C(=O)[O-])[O-] I104328 [0,0,0,0,0,0|1,0,3]=4 54 B5R0.5 C(=O)(C(=O)[O-])[O-] I104329 [0,0,0,0,0,0|1,0,3]=4 55 B5R0.5 C(=O)(C(=O)[O-])[O-] I196235 [0,0,0,0,0,0|1,0,3]=4 56 B5R0.5 C(=O)(C(=O)[O-])[O-] I283342 [0,0,0,0,0,0|1,0,3]=4 57 B5R0.5 C(=O)(C(=O)[O-])[O-] L193903 [0,0,0,0,0,0|1,0,3]=4 58 B5R0.5 C(=O)(C(=O)[O-])[O-] L345282 [0,0,0,0,0,0|1,0,3]=4 59 B5R0.5 C(=O)(C(=O)[O-])[O-] L401056 [0,0,0,0,0,0|1,0,3]=4 60 B5R0.5 C(=O)(C(=O)[O-])[O-] M304150 [0,0,0,0,0,0|1,0,3]=4 61 B5R0.5 C(=O)(C(=O)[O-])[O-] N189075 [0,0,0,0,0,0|1,0,3]=4 62 B5R0.5 C(=O)(C(=O)[O-])[O-] N190420 [0,0,0,0,0,0|1,0,3]=4 63 B5R0.5 C(=O)(C(=O)[O-])[O-] N418669 [0,0,0,0,0,0|1,0,3]=4 64 B5R0.5 C(=O)(C(=O)[O-])[O-] P100094 [0,0,0,0,0,0|1,0,3]=4 65 B5R0.5 C(=O)(C(=O)[O-])[O-] P100095 [0,0,0,0,0,0|1,0,3]=4 66 B5R0.5 C(=O)(C(=O)[O-])[O-] P111570 [0,0,0,0,0,0|1,0,3]=4 67 B5R0.5 C(=O)(C(=O)[O-])[O-] P111574 [0,0,0,0,0,0|1,0,3]=4 68 B5R0.5 C(=O)(C(=O)[O-])[O-] P111576 [0,0,0,0,0,0|1,0,3]=4 69 B5R0.5 C(=O)(C(=O)[O-])[O-] P299230 [0,0,0,0,0,0|1,0,3]=4 70 B5R0.5 C(=O)(C(=O)[O-])[O-] S112348 [0,0,0,0,0,0|1,0,3]=4 71 B5R0.5 C(=O)(C(=O)[O-])[O-] S112353 [0,0,0,0,0,0|1,0,3]=4 72 B5R0.5 C(=O)(C(=O)[O-])[O-] S112355 [0,0,0,0,0,0|1,0,3]=4 73 B5R0.5 C(=O)(C(=O)[O-])[O-] S112356 [0,0,0,0,0,0|1,0,3]=4 74 B5R0.5 C(=O)(C(=O)[O-])[O-] S112992 [0,0,0,0,0,0|1,0,3]=4 75 B5R0.5 C(=O)(C(=O)[O-])[O-] S117539 [0,0,0,0,0,0|1,0,3]=4 76 B5R0.5 C(=O)(C(=O)[O-])[O-] S299314 [0,0,0,0,0,0|1,0,3]=4 77 B5R0.5 C(=O)(C(=O)[O-])[O-] S304156 [0,0,0,0,0,0|1,0,3]=4 78 B5R0.5 C(=O)(C(=O)[O-])[O-] T100112 [0,0,0,0,0,0|1,0,3]=4 79 B5R0.5 C(=O)(C(=O)[O-])[O-] Y283407 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.5 C(=O)(C(=O)[O-])[O-] Z303988 [0,0,0,0,0,0|1,0,3]=4 81 B5R0.5 C(C(=O)Cl)(Cl)Cl D106078 [0,0,0,0,0,0|3,0,0]=3 82 B5R0.5 C(C(=O)N)(Cl)Cl D137671 [0,0,0,0,0,0|3,0,0]=3 83 B5R0.5 C(C(=O)N)(F)F D184006 [0,0,0,0,0,0|3,0,0]=3 84 B5R0.5 C(C(=O)O)(Br)Br D304215 [0,0,0,0,0,0|2,0,0]=2 85 B5R0.5 C(C(=O)O)(Cl)Br B338271 [0,0,0,0,0,0|2,0,0]=2 86 B5R0.5 C(C(=O)O)(Cl)Br K304415 [0,0,0,0,0,0|2,0,0]=2 87 B5R0.5 C(C(=O)O)(Cl)Cl D104244 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.5 C(C(=O)O)(Cl)Cl D305467 [0,0,0,0,0,0|2,0,0]=2 89 B5R0.5 C(C(=O)O)(Cl)Cl D472033 [0,0,0,0,0,0|2,0,0]=2 90 B5R0.5 C(C(=O)O)(F)F D102056 [0,0,0,0,0,0|2,0,0]=2 91 B5R0.5 C(C(=O)[O-])(Cl)Cl S161074 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.5 C(C(=O)[O-])(Cl)Cl S161233 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.5 C(C(=O)[O-])(Cl)Cl S422596 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.5 C(C(=O)[O-])(F)F L355087 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.5 C=C(C(=O)O)F F193388 [0,0,0,0,0,0|1,0,2]=3 96 B5R0.5 CC(=C(C)C)C D107648 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.5 CC(=C)C(=C)C D155426 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.5 CC(=C)C(=O)C I107938 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.5 CC(=C)C(=O)Cl M109517 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.5 CC(=C)C(=O)Cl M299463 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.5 CC(=C)C(=O)N M104042 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.5 CC(=C)C(=O)O M102640 [0,0,0,0,0,0|1,0,1]=2 103 B5R0.5 CC(=C)C(=O)O M102641 [0,0,0,0,0,0|1,0,1]=2 104 B5R0.5 CC(=C)C(=O)O M102642 [0,0,0,0,0,0|1,0,1]=2 105 B5R0.5 CC(=C)C(=O)O M434201 [0,0,0,0,0,0|1,0,1]=2 106 B5R0.5 CC(=C)C(=O)[O-] C347801 [0,0,0,0,0,0|1,0,2]=3 107 B5R0.5 CC(=C)C(=O)[O-] P304402 [0,0,0,0,0,0|1,0,2]=3 108 B5R0.5 CC(=C)C(=O)[O-] P580750 [0,0,0,0,0,0|1,0,2]=3 109 B5R0.5 CC(=C)C(=O)[O-] S103167 [0,0,0,0,0,0|1,0,2]=3 110 B5R0.5 CC(=C)C(=O)[O-] Z102681 [0,0,0,0,0,0|1,0,2]=3 111 B5R0.5 CC(=C)C(O)=O P477951 [0,0,0,0,0,0|1,0,1]=2 112 B5R0.5 CC(=O)C(=O)C B104601 [0,0,0,0,0,0|1,0,2]=3 113 B5R0.5 CC(=O)C(=O)C B104602 [0,0,0,0,0,0|1,0,2]=3 114 B5R0.5 CC(=O)C(=O)C B104603 [0,0,0,0,0,0|1,0,2]=3 115 B5R0.5 CC(=O)C(=O)C B432715 [0,0,0,0,0,0|1,0,2]=3 116 B5R0.5 CC(=O)C(=O)O P104136 [0,0,0,0,0,0|0,0,2]=2 117 B5R0.5 CC(=O)C(=O)O P104138 [0,0,0,0,0,0|0,0,2]=2 118 B5R0.5 CC(=O)C(=O)O P421121 [0,0,0,0,0,0|0,0,2]=2 119 B5R0.5 CC(=O)C(=O)[O-] C135949 [0,0,0,0,0,0|0,0,3]=3 120 B5R0.5 CC(=O)C(=O)[O-] L157766 [0,0,0,0,0,0|0,0,3]=3 121 B5R0.5 CC(=O)C(=O)[O-] P332759 [0,0,0,0,0,0|0,0,3]=3 122 B5R0.5 CC(=O)C(=O)[O-] S104174 [0,0,0,0,0,0|0,0,3]=3 123 B5R0.5 CC(=O)C(=O)[O-] S345696 [0,0,0,0,0,0|0,0,3]=3 124 B5R0.5 CC(=O)N(C)C D108094 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.5 CC(=O)N(C)C D108095 [0,0,0,0,0,0|3,0,0]=3 126 B5R0.5 CC(=O)N(C)C D108096 [0,0,0,0,0,0|3,0,0]=3 127 B5R0.5 CC(=O)N(C)C D108098 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.5 CC(=O)N(C)C D108099 [0,0,0,0,0,0|3,0,0]=3 129 B5R0.5 CC(=O)N(C)C D108100 [0,0,0,0,0,0|3,0,0]=3 130 B5R0.5 CC(=O)N(C)C D119664 [0,0,0,0,0,0|3,0,0]=3 131 B5R0.5 CC(=O)N(C)C D121274 [0,0,0,0,0,0|3,0,0]=3 132 B5R0.5 CC(=S)N(C)C N140450 [0,0,0,0,0,0|3,1,0]=4 133 B5R0.5 CC(C(=O)Br)Br B106918 [0,0,0,0,0,0|2,0,0]=2 134 B5R0.5 CC(C(=O)C)Br B195163 [0,0,0,0,0,0|2,0,0]=2 135 B5R0.5 CC(C(=O)C)Cl C136316 [0,0,0,0,0,0|2,0,0]=2 136 B5R0.5 CC(C(=O)C)N A168580 [0,0,0,0,0,0|2,0,0]=2 137 B5R0.5 CC(C(=O)C)O A109410 [0,0,0,0,0,0|1,0,0]=1 138 B5R0.5 CC(C(=O)C)O A109411 [0,0,0,0,0,0|1,0,0]=1 139 B5R0.5 CC(C(=O)C)S M102955 [0,0,0,0,0,0|1,1,0]=2 140 B5R0.5 CC(C(=O)Cl)Br B119905 [0,0,0,0,0,0|2,0,0]=2 141 B5R0.5 CC(C(=O)Cl)Cl C102420 [0,0,0,0,0,0|2,0,0]=2 142 B5R0.5 CC(C(=O)Cl)Cl C401784 [0,0,0,0,0,0|2,0,0]=2 143 B5R0.5 CC(C(=O)N)Br B474352 [0,0,0,0,0,0|2,0,0]=2 144 B5R0.5 CC(C(=O)N)Cl C169221 [0,0,0,0,0,0|2,0,0]=2 145 B5R0.5 CC(C(=O)N)N A117207 [0,0,0,0,0,0|2,0,0]=2 146 B5R0.5 CC(C(=O)N)N H589984 [0,0,0,0,0,0|2,0,0]=2 147 B5R0.5 CC(C(=O)N)N R192946 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.5 CC(C(=O)N)O R139052 [0,0,0,0,0,0|1,0,0]=1 149 B5R0.5 CC(C(=O)N)O S469819 [0,0,0,0,0,0|1,0,0]=1 150 B5R0.5 CC(C(=O)O)Br B106080 [0,0,0,0,0,0|1,0,0]=1 151 B5R0.5 CC(C(=O)O)Br B106920 [0,0,0,0,0,0|1,0,0]=1 152 B5R0.5 CC(C(=O)O)Br R160937 [0,0,0,0,0,0|1,0,0]=1 153 B5R0.5 CC(C(=O)O)Cl C106527 [0,0,0,0,0,0|1,0,0]=1 154 B5R0.5 CC(C(=O)O)Cl C109467 [0,0,0,0,0,0|1,0,0]=1 155 B5R0.5 CC(C(=O)O)Cl C140796 [0,0,0,0,0,0|1,0,0]=1 156 B5R0.5 CC(C(=O)O)Cl R160939 [0,0,0,0,0,0|1,0,0]=1 157 B5R0.5 CC(C(=O)O)F F469437 [0,0,0,0,0,0|1,0,0]=1 158 B5R0.5 CC(C(=O)O)N A100051 [0,0,0,0,0,0|1,0,0]=1 159 B5R0.5 CC(C(=O)O)N A108263 [0,0,0,0,0,0|1,0,0]=1 160 B5R0.5 CC(C(=O)O)N A109095 [0,0,0,0,0,0|1,0,0]=1 161 B5R0.5 CC(C(=O)O)N A117757 [0,0,0,0,0,0|1,0,0]=1 162 B5R0.5 CC(C(=O)O)N A117758 [0,0,0,0,0,0|1,0,0]=1 163 B5R0.5 CC(C(=O)O)N A118860 [0,0,0,0,0,0|1,0,0]=1 164 B5R0.5 CC(C(=O)O)N D423466 [0,0,0,0,0,0|1,0,0]=1 165 B5R0.5 CC(C(=O)O)N D472023 [0,0,0,0,0,0|1,0,0]=1 166 B5R0.5 CC(C(=O)O)N D474151 [0,0,0,0,0,0|1,0,0]=1 167 B5R0.5 CC(C(=O)O)N L424776 [0,0,0,0,0,0|1,0,0]=1 168 B5R0.5 CC(C(=O)O)N S432937 [0,0,0,0,0,0|1,0,0]=1 169 B5R0.5 CC(C(=O)O)O L107595 [0,0,0,0,0,0|0,0,0]=0 170 B5R0.5 CC(C(=O)O)O L107596 [0,0,0,0,0,0|0,0,0]=0 171 B5R0.5 CC(C(=O)O)O L108839 [0,0,0,0,0,0|0,0,0]=0 172 B5R0.5 CC(C(=O)O)O L108841 [0,0,0,0,0,0|0,0,0]=0 173 B5R0.5 CC(C(=O)O)O L122089 [0,0,0,0,0,0|0,0,0]=0 174 B5R0.5 CC(C(=O)O)O L122090 [0,0,0,0,0,0|0,0,0]=0 175 B5R0.5 CC(C(=O)O)O L291729 [0,0,0,0,0,0|0,0,0]=0 176 B5R0.5 CC(C(=O)O)O L291730 [0,0,0,0,0,0|0,0,0]=0 177 B5R0.5 CC(C(=O)O)O L291731 [0,0,0,0,0,0|0,0,0]=0 178 B5R0.5 CC(C(=O)O)O L291732 [0,0,0,0,0,0|0,0,0]=0 179 B5R0.5 CC(C(=O)O)O L425989 [0,0,0,0,0,0|0,0,0]=0 180 B5R0.5 CC(C(=O)O)O P169115 [0,0,0,0,0,0|0,0,0]=0 181 B5R0.5 CC(C(=O)O)O S161106 [0,0,0,0,0,0|0,0,0]=0 182 B5R0.5 CC(C(=O)O)S T162374 [0,0,0,0,0,0|0,1,0]=1 183 B5R0.5 CC(C(=O)[O-])O A303861 [0,0,0,0,0,0|0,0,1]=1 184 B5R0.5 CC(C(=O)[O-])O C110506 [0,0,0,0,0,0|0,0,1]=1 185 B5R0.5 CC(C(=O)[O-])O C304709 [0,0,0,0,0,0|0,0,1]=1 186 B5R0.5 CC(C(=O)[O-])O D304649 [0,0,0,0,0,0|0,0,1]=1 187 B5R0.5 CC(C(=O)[O-])O I350723 [0,0,0,0,0,0|0,0,1]=1 188 B5R0.5 CC(C(=O)[O-])O L104219 [0,0,0,0,0,0|0,0,1]=1 189 B5R0.5 CC(C(=O)[O-])O L133140 [0,0,0,0,0,0|0,0,1]=1 190 B5R0.5 CC(C(=O)[O-])O M305218 [0,0,0,0,0,0|0,0,1]=1 191 B5R0.5 CC(C(=O)[O-])O P113770 [0,0,0,0,0,0|0,0,1]=1 192 B5R0.5 CC(C(=O)[O-])O P305067 [0,0,0,0,0,0|0,0,1]=1 193 B5R0.5 CC(C(=O)[O-])O S108837 [0,0,0,0,0,0|0,0,1]=1 194 B5R0.5 CC(C(=O)[O-])O S108838 [0,0,0,0,0,0|0,0,1]=1 195 B5R0.5 CC(C(=O)[O-])O S301759 [0,0,0,0,0,0|0,0,1]=1 196 B5R0.5 CC(C(=O)[O-])O S302327 [0,0,0,0,0,0|0,0,1]=1 197 B5R0.5 CC(C(=O)[O-])O S334655 [0,0,0,0,0,0|0,0,1]=1 198 B5R0.5 CC(C(=O)[O-])O S426464 [0,0,0,0,0,0|0,0,1]=1 199 B5R0.5 CC(C(=O)[O-])O S465689 [0,0,0,0,0,0|0,0,1]=1 200 B5R0.5 CC(C(C)Cl)Cl D155309 [0,0,0,0,0,0|3,0,1]=4 201 B5R0.5 CC(C(C)O)O B103428 [0,0,0,0,0,0|1,0,1]=2 202 B5R0.5 CC(C(C)O)O B424414 [0,0,0,0,0,0|1,0,1]=2 203 B5R0.5 CC(C(C)O)O R135716 [0,0,0,0,0,0|1,0,1]=2 204 B5R0.5 CC(C(C)O)O R422817 [0,0,0,0,0,0|1,0,1]=2 205 B5R0.5 CC(C(C)O)O R470710 [0,0,0,0,0,0|1,0,1]=2 206 B5R0.5 CC(C(C)O)O S160997 [0,0,0,0,0,0|1,0,1]=2 207 B5R0.5 CC(C(C)S)O M102962 [0,0,0,0,0,0|1,1,1]=3 208 B5R0.5 CC(C(C)S)O M158761 [0,0,0,0,0,0|1,1,1]=3 209 B5R0.5 CC(C(C)S)S B102921 [0,0,0,0,0,0|1,2,1]=4 210 B5R0.5 CC(C(Cl)Cl)Cl T162273 [0,0,0,0,0,0|3,0,1]=4 211 B5R0.5 CC(C)C(=C)C D101515 [0,0,0,0,0,0|3,0,0]=3 212 B5R0.5 CC(C)C(=N)N I335550 [0,0,0,0,0,0|3,0,0]=3 213 B5R0.5 CC(C)C(=O)C M103677 [0,0,0,0,0,0|2,0,0]=2 214 B5R0.5 CC(C)C(=O)C M103678 [0,0,0,0,0,0|2,0,0]=2 215 B5R0.5 CC(C)C(=O)Cl I107549 [0,0,0,0,0,0|2,0,0]=2 216 B5R0.5 CC(C)C(=O)N I157612 [0,0,0,0,0,0|2,0,0]=2 217 B5R0.5 CC(C)C(=O)O I103521 [0,0,0,0,0,0|1,0,0]=1 218 B5R0.5 CC(C)C(=O)O I103522 [0,0,0,0,0,0|1,0,0]=1 219 B5R0.5 CC(C)C(=O)O I103524 [0,0,0,0,0,0|1,0,0]=1 220 B5R0.5 CC(C)C(=O)O I303334 [0,0,0,0,0,0|1,0,0]=1 221 B5R0.5 CC(C)C(=O)O I434199 [0,0,0,0,0,0|1,0,0]=1 222 B5R0.5 CC(C)C(=O)[O-] P160181 [0,0,0,0,0,0|1,0,1]=2 223 B5R0.5 CC(C)C(=S)N T140153 [0,0,0,0,0,0|2,1,0]=3 224 B5R0.5 CC(C)C(C)C D106276 [0,0,0,0,0,0|3,0,1]=4 225 B5R0.5 CC(C)C(C)C D106277 [0,0,0,0,0,0|3,0,1]=4 226 B5R0.5 CC(C)C(C)C D106278 [0,0,0,0,0,0|3,0,1]=4 227 B5R0.5 CC(C)C(C)N A100617 [0,0,0,0,0,0|3,0,1]=4 228 B5R0.5 CC(C)C(C)N D101300 [0,0,0,0,0,0|3,0,1]=4 229 B5R0.5 CC(C)C(C)O M158745 [0,0,0,0,0,0|2,0,1]=3 230 B5R0.5 CC(C)C(C)S M103138 [0,0,0,0,0,0|2,1,1]=4 231 B5R0.5 CC(C)N(C)C N159099 [0,0,0,0,0,0|4,0,0]=4 232 B5R0.5 CC(C)[N+](=O)[O-] N107506 [0,0,0,0,0,0|2,0,1]=3 233 B5R0.5 CC(C)[Si](C)C D356950 [0,0,0,0,0,0|3,1,0]=4 234 B5R0.5 CN(C(=S)N)N M133986 [0,0,0,0,0,0|3,1,0]=4 235 B5R0.5 CN(C)C(=N)N D154660 [0,0,0,0,0,0|4,0,0]=4 236 B5R0.5 CN(C)C(=O)Cl D106525 [0,0,0,0,0,0|3,0,0]=3 237 B5R0.5 CN(C)C(=O)N D155381 [0,0,0,0,0,0|3,0,0]=3 238 B5R0.5 CN(C)C(=S)Cl N135547 [0,0,0,0,0,0|3,1,0]=4 239 B5R0.5 CN(C)C(=S)S D154695 [0,0,0,0,0,0|2,2,0]=4 240 B5R0.5 CN(C)C(=S)[S-] C154089 [0,0,0,0,0,0|2,2,0]=4 241 B5R0.5 CN(C)C(=S)[S-] F114609 [0,0,0,0,0,0|2,2,0]=4 242 B5R0.5 CN(C)C(=S)[S-] F137780 [0,0,0,0,0,0|2,2,0]=4 243 B5R0.5 CN(C)C(=S)[S-] S106280 [0,0,0,0,0,0|2,2,0]=4 244 B5R0.5 CN(C)C(=S)[S-] Z162995 [0,0,0,0,0,0|2,2,0]=4 245 B5R0.5 C[N+](=C(Cl)Cl)C D155316 [0,0,0,0,0,0|4,0,0]=4 246 B4R0.1 B(CC)(O)O E120272 [1,0,0,0,0,0|1,0,1]=3 247 B4R0.1 C#CC(=O)N P344736 [1,0,0,0,0,0|1,0,2]=4 248 B4R0.1 C#CC(=O)O P109569 [1,0,0,0,0,0|0,0,2]=3 249 B4R0.1 C(=NO)(Br)Br D186365 [1,0,0,0,0,0|3,0,0]=4 250 B4R0.1 C(=O)(N)NN A105056 [1,0,0,0,0,0|3,0,0]=4 251 B4R0.1 C(=O)(N)NN A105058 [1,0,0,0,0,0|3,0,0]=4 252 B4R0.1 C(=O)(N)NN S171063 [1,0,0,0,0,0|3,0,0]=4 253 B4R0.1 C(=O)(N)NO H106352 [1,0,0,0,0,0|2,0,0]=3 254 B4R0.1 C(=O)(SCl)Cl C154038 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.1 C(=O)C(=O)O G108309 [1,0,0,0,0,0|0,0,2]=3 256 B4R0.1 C(=O)C(=O)O G169372 [1,0,0,0,0,0|0,0,2]=3 257 B4R0.1 C(C(=N)N)Cl C165534 [1,0,0,0,0,0|3,0,0]=4 258 B4R0.1 C(C(=N)N)N A133988 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.1 C(C(=O)Br)Br B106897 [1,0,0,0,0,0|2,0,0]=3 260 B4R0.1 C(C(=O)Cl)Br B137113 [1,0,0,0,0,0|2,0,0]=3 261 B4R0.1 C(C(=O)N)Br B139173 [1,0,0,0,0,0|2,0,0]=3 262 B4R0.1 C(C(=O)N)Cl C106072 [1,0,0,0,0,0|2,0,0]=3 263 B4R0.1 C(C(=O)N)I I105563 [1,0,0,0,0,0|2,0,0]=3 264 B4R0.1 C(C(=O)N)I I131590 [1,0,0,0,0,0|2,0,0]=3 265 B4R0.1 C(C(=O)N)I I421630 [1,0,0,0,0,0|2,0,0]=3 266 B4R0.1 C(C(=O)N)N G106202 [1,0,0,0,0,0|2,0,0]=3 267 B4R0.1 C(C(=O)N)N G185482 [1,0,0,0,0,0|2,0,0]=3 268 B4R0.1 C(C(=O)N)O G102639 [1,0,0,0,0,0|1,0,0]=2 269 B4R0.1 C(C(=O)O)Br B108523 [1,0,0,0,0,0|1,0,0]=2 270 B4R0.1 C(C(=O)O)Br B108524 [1,0,0,0,0,0|1,0,0]=2 271 B4R0.1 C(C(=O)O)Br B108525 [1,0,0,0,0,0|1,0,0]=2 272 B4R0.1 C(C(=O)O)Br B355164 [1,0,0,0,0,0|1,0,0]=2 273 B4R0.1 C(C(=O)O)Br B434194 [1,0,0,0,0,0|1,0,0]=2 274 B4R0.1 C(C(=O)O)Cl C485697 [1,0,0,0,0,0|1,0,0]=2 275 B4R0.1 C(C(=O)O)I I104613 [1,0,0,0,0,0|1,0,0]=2 276 B4R0.1 C(C(=O)O)N A110749 [1,0,0,0,0,0|1,0,0]=2 277 B4R0.1 C(C(=O)O)N A110750 [1,0,0,0,0,0|1,0,0]=2 278 B4R0.1 C(C(=O)O)N A110751 [1,0,0,0,0,0|1,0,0]=2 279 B4R0.1 C(C(=O)O)N A110752 [1,0,0,0,0,0|1,0,0]=2 280 B4R0.1 C(C(=O)O)N A111465 [1,0,0,0,0,0|1,0,0]=2 281 B4R0.1 C(C(=O)O)N A124751 [1,0,0,0,0,0|1,0,0]=2 282 B4R0.1 C(C(=O)O)N A124757 [1,0,0,0,0,0|1,0,0]=2 283 B4R0.1 C(C(=O)O)N A298706 [1,0,0,0,0,0|1,0,0]=2 284 B4R0.1 C(C(=O)O)N B190646 [1,0,0,0,0,0|1,0,0]=2 285 B4R0.1 C(C(=O)O)N B573462 [1,0,0,0,0,0|1,0,0]=2 286 B4R0.1 C(C(=O)O)N G110174 [1,0,0,0,0,0|1,0,0]=2 287 B4R0.1 C(C(=O)O)N G119904 [1,0,0,0,0,0|1,0,0]=2 288 B4R0.1 C(C(=O)O)N G133060 [1,0,0,0,0,0|1,0,0]=2 289 B4R0.1 C(C(=O)O)N G156794 [1,0,0,0,0,0|1,0,0]=2 290 B4R0.1 C(C(=O)O)N G156795 [1,0,0,0,0,0|1,0,0]=2 291 B4R0.1 C(C(=O)O)N G432934 [1,0,0,0,0,0|1,0,0]=2 292 B4R0.1 C(C(=O)O)N G432935 [1,0,0,0,0,0|1,0,0]=2 293 B4R0.1 C(C(=O)O)N G471905 [1,0,0,0,0,0|1,0,0]=2 294 B4R0.1 C(C(=O)O)N G472098 [1,0,0,0,0,0|1,0,0]=2 295 B4R0.1 C(C(=O)O)O G104191 [1,0,0,0,0,0|0,0,0]=1 296 B4R0.1 C(C(=O)O)O G104193 [1,0,0,0,0,0|0,0,0]=1 297 B4R0.1 C(C(=O)O)O G425976 [1,0,0,0,0,0|0,0,0]=1 298 B4R0.1 C(C(=O)O)O G434198 [1,0,0,0,0,0|0,0,0]=1 299 B4R0.1 C(C(=O)O)O G591002 [1,0,0,0,0,0|0,0,0]=1 300 B4R0.1 C(C(=O)O)O N129652 [1,0,0,0,0,0|0,0,0]=1 301 B4R0.1 C(C(=O)O)O N427119 [1,0,0,0,0,0|0,0,0]=1 302 B4R0.1 C(C(=O)O)O P136309 [1,0,0,0,0,0|0,0,0]=1 303 B4R0.1 C(C(=O)O)O P477164 [1,0,0,0,0,0|0,0,0]=1 304 B4R0.1 C(C(=O)O)S T104998 [1,0,0,0,0,0|0,1,0]=2 305 B4R0.1 C(C(=O)O)S T105002 [1,0,0,0,0,0|0,1,0]=2 306 B4R0.1 C(C(=O)O)S T501446 [1,0,0,0,0,0|0,1,0]=2 307 B4R0.1 C(C(=O)[O-])Br S124697 [1,0,0,0,0,0|1,0,1]=3 308 B4R0.1 C(C(=O)[O-])Cl S108371 [1,0,0,0,0,0|1,0,1]=3 309 B4R0.1 C(C(=O)[O-])I S104897 [1,0,0,0,0,0|1,0,1]=3 310 B4R0.1 C(C(=O)[O-])N F302712 [1,0,0,0,0,0|1,0,1]=3 311 B4R0.1 C(C(=O)[O-])N G104214 [1,0,0,0,0,0|1,0,1]=3 312 B4R0.1 C(C(=O)[O-])N G156806 [1,0,0,0,0,0|1,0,1]=3 313 B4R0.1 C(C(=O)[O-])N G168473 [1,0,0,0,0,0|1,0,1]=3 314 B4R0.1 C(C(=O)[O-])N M302926 [1,0,0,0,0,0|1,0,1]=3 315 B4R0.1 C(C(=O)[O-])O C154022 [1,0,0,0,0,0|0,0,1]=2 316 B4R0.1 C(C(=O)[O-])O C347797 [1,0,0,0,0,0|0,0,1]=2 317 B4R0.1 C(C(=O)[O-])O S102872 [1,0,0,0,0,0|0,0,1]=2 318 B4R0.1 C(C(=O)[O-])S A109096 [1,0,0,0,0,0|0,1,1]=3 319 B4R0.1 C(C(=O)[O-])S C154034 [1,0,0,0,0,0|0,1,1]=3 320 B4R0.1 C(C(=O)[O-])S S105664 [1,0,0,0,0,0|0,1,1]=3 321 B4R0.1 C(C(Cl)Cl)O D472528 [1,0,0,0,0,0|2,0,1]=4 322 B4R0.1 C(C(F)F)O D102785 [1,0,0,0,0,0|2,0,1]=4 323 B4R0.1 C(O)S(=O)[O-] R110955 [1,0,0,0,0,0|1,0,1]=3 324 B4R0.1 C([N+](=O)[O-])Br B113246 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 C=C(CBr)Br D113566 [1,0,0,0,0,0|3,0,0]=4 326 B4R0.1 C=C(CBr)Br D113567 [1,0,0,0,0,0|3,0,0]=4 327 B4R0.1 C=C(CCl)Cl D154468 [1,0,0,0,0,0|3,0,0]=4 328 B4R0.1 C=C(CO)Br B352406 [1,0,0,0,0,0|2,0,0]=3 329 B4R0.1 C=C(CO)Cl C171127 [1,0,0,0,0,0|2,0,0]=3 330 B4R0.1 C=CC(=O)Cl A104614 [1,0,0,0,0,0|1,0,2]=4 331 B4R0.1 C=CC(=O)N A108465 [1,0,0,0,0,0|1,0,2]=4 332 B4R0.1 C=CC(=O)N A108466 [1,0,0,0,0,0|1,0,2]=4 333 B4R0.1 C=CC(=O)N A108467 [1,0,0,0,0,0|1,0,2]=4 334 B4R0.1 C=CC(=O)N A108468 [1,0,0,0,0,0|1,0,2]=4 335 B4R0.1 C=CC(=O)N A108469 [1,0,0,0,0,0|1,0,2]=4 336 B4R0.1 C=CC(=O)N A108470 [1,0,0,0,0,0|1,0,2]=4 337 B4R0.1 C=CC(=O)N A353801 [1,0,0,0,0,0|1,0,2]=4 338 B4R0.1 C=CC(=O)N P108471 [1,0,0,0,0,0|1,0,2]=4 339 B4R0.1 C=CC(=O)N P434410 [1,0,0,0,0,0|1,0,2]=4 340 B4R0.1 C=CC(=O)N P434411 [1,0,0,0,0,0|1,0,2]=4 341 B4R0.1 C=CC(=O)N P477438 [1,0,0,0,0,0|1,0,2]=4 342 B4R0.1 C=CC(=O)O A103525 [1,0,0,0,0,0|0,0,2]=3 343 B4R0.1 C=CC(=O)O A103526 [1,0,0,0,0,0|0,0,2]=3 344 B4R0.1 C=CC(=O)O A397753 [1,0,0,0,0,0|0,0,2]=3 345 B4R0.1 C=CC(=O)O A434196 [1,0,0,0,0,0|0,0,2]=3 346 B4R0.1 C=CC(=O)O A615488 [1,0,0,0,0,0|0,0,2]=3 347 B4R0.1 C=CC(=O)O P104270 [1,0,0,0,0,0|0,0,2]=3 348 B4R0.1 C=CC(=O)O P104272 [1,0,0,0,0,0|0,0,2]=3 349 B4R0.1 C=CC(=O)O P131657 [1,0,0,0,0,0|0,0,2]=3 350 B4R0.1 C=CC(=O)O P131658 [1,0,0,0,0,0|0,0,2]=3 351 B4R0.1 C=CC(=O)O P131659 [1,0,0,0,0,0|0,0,2]=3 352 B4R0.1 C=CC(=O)O P299190 [1,0,0,0,0,0|0,0,2]=3 353 B4R0.1 C=CC(=O)O P404949 [1,0,0,0,0,0|0,0,2]=3 354 B4R0.1 C=CC(=O)O P639633 [1,0,0,0,0,0|0,0,2]=3 355 B4R0.1 C=CC(=O)[O-] M304023 [1,0,0,0,0,0|0,0,3]=4 356 B4R0.1 C=CC(=O)[O-] P304873 [1,0,0,0,0,0|0,0,3]=4 357 B4R0.1 C=CC(=O)[O-] P434406 [1,0,0,0,0,0|0,0,3]=4 358 B4R0.1 C=CC(=O)[O-] P434407 [1,0,0,0,0,0|0,0,3]=4 359 B4R0.1 C=CC(=O)[O-] P434408 [1,0,0,0,0,0|0,0,3]=4 360 B4R0.1 C=CC(=O)[O-] P434409 [1,0,0,0,0,0|0,0,3]=4 361 B4R0.1 C=CC(=O)[O-] S108368 [1,0,0,0,0,0|0,0,3]=4 362 B4R0.1 C=CC(=O)[O-] S165277 [1,0,0,0,0,0|0,0,3]=4 363 B4R0.1 C=CC(=O)[O-] S298808 [1,0,0,0,0,0|0,0,3]=4 364 B4R0.1 C=CC(=O)[O-] S304539 [1,0,0,0,0,0|0,0,3]=4 365 B4R0.1 C=CC(=O)[O-] S434405 [1,0,0,0,0,0|0,0,3]=4 366 B4R0.1 C=CC(=O)[O-] Z472262 [1,0,0,0,0,0|0,0,3]=4 367 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|1,0,1]=3 368 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|1,0,1]=3 369 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|3,0,0]=4 370 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|3,0,0]=4 371 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|3,0,0]=4 372 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|2,0,0]=3 373 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|2,0,1]=4 376 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.1 CC(=O)C#C B101576 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.1 CC(=O)C#N P466890 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|0,0,2]=3 380 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|0,0,2]=3 381 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|2,0,0]=3 382 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|2,0,0]=3 383 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|2,0,0]=3 384 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|1,0,0]=2 385 B4R0.1 CC(=O)NBr N159711 [1,0,0,0,0,0|3,0,0]=4 386 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|2,0,0]=3 387 B4R0.1 CC(=O)NN A151537 [1,0,0,0,0,0|3,0,0]=4 388 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|2,0,0]=3 389 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|2,0,0]=3 391 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|2,0,0]=3 392 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|2,0,0]=3 393 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|2,0,0]=3 394 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|2,0,0]=3 395 B4R0.1 CC(=O)O[Al] A283286 [1,0,0,0,0,0|3,0,0]=4 396 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|2,0,0]=3 397 B4R0.1 CC(C#C)Br B476941 [1,0,0,0,0,0|2,0,1]=4 398 B4R0.1 CC(C#C)N B589081 [1,0,0,0,0,0|2,0,1]=4 399 B4R0.1 CC(C#C)O B106248 [1,0,0,0,0,0|1,0,1]=3 400 B4R0.1 CC(C#C)O B301756 [1,0,0,0,0,0|1,0,1]=3 401 B4R0.1 CC(C#C)O R160842 [1,0,0,0,0,0|1,0,1]=3 402 B4R0.1 CC(C#C)O S161362 [1,0,0,0,0,0|1,0,1]=3 403 B4R0.1 CC(C#N)Br B168276 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.1 CC(C#N)Cl C122640 [1,0,0,0,0,0|2,0,1]=4 405 B4R0.1 CC(C#N)N A186242 [1,0,0,0,0,0|2,0,1]=4 406 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|1,0,0]=2 408 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|1,0,0]=2 409 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|1,0,0]=2 410 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|2,0,1]=4 411 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|2,0,1]=4 416 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|1,0,1]=3 420 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|1,0,1]=3 421 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|1,0,1]=3 422 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|1,0,1]=3 423 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|1,0,1]=3 424 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|1,0,1]=3 425 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|1,0,1]=3 426 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|1,0,1]=3 427 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|1,1,1]=4 428 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|3,0,0]=4 429 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|3,0,0]=4 430 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|2,0,0]=3 431 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|3,0,0]=4 432 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|2,0,0]=3 433 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|1,0,0]=2 434 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,1]=4 435 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|1,0,1]=3 436 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,1]=4 437 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,1]=4 438 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,1]=4 439 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,1]=4 440 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|1,0,1]=3 441 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|1,0,1]=3 442 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|1,0,1]=3 443 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,1]=4 445 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,1]=4 446 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|1,0,1]=3 447 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|1,0,1]=3 448 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|1,0,1]=3 449 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|1,0,1]=3 450 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|1,0,1]=3 451 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|1,0,1]=3 452 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|1,0,1]=3 453 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,0,1]=3 454 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,0,1]=3 455 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,0,1]=3 456 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,0,1]=3 457 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|0,0,1]=2 458 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|0,0,1]=2 459 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|0,0,1]=2 460 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|0,0,1]=2 461 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|0,0,1]=2 462 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|0,0,1]=2 463 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|0,0,1]=2 464 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|0,2,1]=4 465 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|2,0,1]=4 466 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|2,0,1]=4 467 B4R0.1 CC=C(Cl)Cl D128125 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.1 CCC(=N)N P588869 [1,0,0,0,0,0|2,0,0]=3 469 B4R0.1 CCC(=O)Br P107847 [1,0,0,0,0,0|1,0,0]=2 470 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|1,0,0]=2 471 B4R0.1 CCC(=O)Cl P108665 [1,0,0,0,0,0|1,0,0]=2 472 B4R0.1 CCC(=O)N P104016 [1,0,0,0,0,0|1,0,0]=2 473 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|0,0,0]=1 474 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|0,0,0]=1 475 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|0,0,0]=1 476 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|0,0,0]=1 477 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|0,0,0]=1 478 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|0,0,0]=1 479 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|0,0,0]=1 480 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|0,0,0]=1 481 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|0,0,0]=1 482 B4R0.1 CCC(=O)[O-] C112470 [1,0,0,0,0,0|0,0,1]=2 483 B4R0.1 CCC(=O)[O-] C112471 [1,0,0,0,0,0|0,0,1]=2 484 B4R0.1 CCC(=O)[O-] C492256 [1,0,0,0,0,0|0,0,1]=2 485 B4R0.1 CCC(=O)[O-] P160177 [1,0,0,0,0,0|0,0,1]=2 486 B4R0.1 CCC(=O)[O-] S100120 [1,0,0,0,0,0|0,0,1]=2 487 B4R0.1 CCC(=O)[O-] S100121 [1,0,0,0,0,0|0,0,1]=2 488 B4R0.1 CCC(=O)[O-] S100122 [1,0,0,0,0,0|0,0,1]=2 489 B4R0.1 CCC(=O)[O-] S346177 [1,0,0,0,0,0|0,0,1]=2 490 B4R0.1 CCC(=O)[O-] Z346699 [1,0,0,0,0,0|0,0,1]=2 491 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|2,0,1]=4 493 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|2,0,1]=4 494 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|2,0,1]=4 495 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|2,0,1]=4 496 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|2,0,1]=4 497 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|2,0,1]=4 498 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|2,0,1]=4 499 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|1,0,1]=3 500 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|1,0,1]=3 501 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|1,0,1]=3 502 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|1,0,1]=3 503 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|1,0,1]=3 504 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|1,0,1]=3 505 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|1,1,1]=4 506 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|2,0,1]=4 507 B4R0.1 CCS(=O)[O-] S182544 [1,0,0,0,0,0|1,0,1]=3 508 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|2,1,0]=4 509 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|2,0,0]=3 510 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|2,0,0]=3 511 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|2,0,0]=3 512 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|2,0,0]=3 513 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|2,0,0]=3 514 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|2,0,0]=3 515 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|2,0,0]=3 516 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|2,0,0]=3 517 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|2,0,0]=3 518 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|2,0,0]=3 519 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|2,0,0]=3 520 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|2,0,0]=3 521 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|2,0,0]=3 522 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|2,1,0]=4 523 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|3,0,0]=4 524 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|3,0,0]=4 525 B4R0.1 CN=C(N)N M133119 [1,0,0,0,0,0|3,0,0]=4 526 B4R0.1 CN=C(N)N M158240 [1,0,0,0,0,0|3,0,0]=4 527 B4R0.1 CN=C(N)N M473051 [1,0,0,0,0,0|3,0,0]=4 528 B4R0.1 CNC(=O)Cl M304270 [1,0,0,0,0,0|2,0,0]=3 529 B4R0.1 CNC(=O)N M107951 [1,0,0,0,0,0|2,0,0]=3 530 B4R0.1 CNC(=S)N M102026 [1,0,0,0,0,0|2,1,0]=4 531 B4R0.1 CNC(=S)[S-] M137665 [1,0,0,0,0,0|1,2,0]=4 532 B4R0.1 COC(=N)N O159961 [1,0,0,0,0,0|3,0,0]=4 533 B4R0.1 COC(=N)N O299457 [1,0,0,0,0,0|3,0,0]=4 534 B4R0.1 COC(=O)N M110332 [1,0,0,0,0,0|2,0,0]=3 535 B4R0.1 CSC(=N)N M108041 [1,0,0,0,0,0|3,0,0]=4 536 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|3,0,0]=4 537 B4R0.1 NC(=O)NO H408867 [1,0,0,0,0,0|2,0,0]=3 538 B6R0.3 B(C(C)CC)(O)O B120306 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.3 C(#N)C(C(=O)N)N A479345 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.3 C(C(=O)C(=O)O)Br B120321 [0,1,0,0,0,0|0,0,2]=3 541 B6R0.3 C(C(=O)C(=O)O)O H276063 [0,1,0,0,0,0|0,0,2]=3 542 B6R0.3 C(C(=O)C(=O)[O-])F F168911 [0,1,0,0,0,0|0,0,3]=4 543 B6R0.3 C(C(=O)C(Cl)Cl)Cl T161564 [0,1,0,0,0,0|3,0,0]=4 544 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [0,1,0,0,0,0|2,0,0]=3 545 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [0,1,0,0,0,0|2,0,0]=3 546 B6R0.3 C(C(C(=O)N)Br)Br D122847 [0,1,0,0,0,0|2,0,0]=3 547 B6R0.3 C(C(C(=O)N)N)O S134102 [0,1,0,0,0,0|2,0,0]=3 548 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,1,0,0,0,0|1,0,0]=2 549 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,1,0,0,0,0|1,0,0]=2 550 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,1,0,0,0,0|1,0,0]=2 551 B6R0.3 C(C(C(=O)O)N)N D102444 [0,1,0,0,0,0|1,0,0]=2 552 B6R0.3 C(C(C(=O)O)N)N D102445 [0,1,0,0,0,0|1,0,0]=2 553 B6R0.3 C(C(C(=O)O)N)N O105987 [0,1,0,0,0,0|1,0,0]=2 554 B6R0.3 C(C(C(=O)O)N)N S161147 [0,1,0,0,0,0|1,0,0]=2 555 B6R0.3 C(C(C(=O)O)N)O D423121 [0,1,0,0,0,0|1,0,0]=2 556 B6R0.3 C(C(C(=O)O)N)O D423225 [0,1,0,0,0,0|1,0,0]=2 557 B6R0.3 C(C(C(=O)O)N)O L424779 [0,1,0,0,0,0|1,0,0]=2 558 B6R0.3 C(C(C(=O)O)N)O L476400 [0,1,0,0,0,0|1,0,0]=2 559 B6R0.3 C(C(C(=O)O)N)O S103483 [0,1,0,0,0,0|1,0,0]=2 560 B6R0.3 C(C(C(=O)O)N)O S105977 [0,1,0,0,0,0|1,0,0]=2 561 B6R0.3 C(C(C(=O)O)N)O S108219 [0,1,0,0,0,0|1,0,0]=2 562 B6R0.3 C(C(C(=O)O)N)O S118658 [0,1,0,0,0,0|1,0,0]=2 563 B6R0.3 C(C(C(=O)O)N)O S137887 [0,1,0,0,0,0|1,0,0]=2 564 B6R0.3 C(C(C(=O)O)N)O S137888 [0,1,0,0,0,0|1,0,0]=2 565 B6R0.3 C(C(C(=O)O)N)O S432938 [0,1,0,0,0,0|1,0,0]=2 566 B6R0.3 C(C(C(=O)O)N)S C108237 [0,1,0,0,0,0|1,0,0]=2 567 B6R0.3 C(C(C(=O)O)N)S C108238 [0,1,0,0,0,0|1,0,0]=2 568 B6R0.3 C(C(C(=O)O)N)S C110184 [0,1,0,0,0,0|1,0,0]=2 569 B6R0.3 C(C(C(=O)O)N)S C110436 [0,1,0,0,0,0|1,0,0]=2 570 B6R0.3 C(C(C(=O)O)N)S C110437 [0,1,0,0,0,0|1,0,0]=2 571 B6R0.3 C(C(C(=O)O)N)S C113143 [0,1,0,0,0,0|1,0,0]=2 572 B6R0.3 C(C(C(=O)O)N)S C118575 [0,1,0,0,0,0|1,0,0]=2 573 B6R0.3 C(C(C(=O)O)N)S D304972 [0,1,0,0,0,0|1,0,0]=2 574 B6R0.3 C(C(C(=O)O)N)S L424532 [0,1,0,0,0,0|1,0,0]=2 575 B6R0.3 C(C(C(=O)O)N)S L424534 [0,1,0,0,0,0|1,0,0]=2 576 B6R0.3 C(C(C(=O)O)N)S L432833 [0,1,0,0,0,0|1,0,0]=2 577 B6R0.3 C(C(C(=O)O)N)S S161428 [0,1,0,0,0,0|1,0,0]=2 578 B6R0.3 C(C(C(=O)O)N)S S588042 [0,1,0,0,0,0|1,0,0]=2 579 B6R0.3 C(C(C(=O)O)O)N I123583 [0,1,0,0,0,0|0,0,0]=1 580 B6R0.3 C(C(C(=O)O)O)N S137278 [0,1,0,0,0,0|0,0,0]=1 581 B6R0.3 C(C(C(=O)O)O)O D278734 [0,1,0,0,0,0|0,0,0]=1 582 B6R0.3 C=C(CBr)C(=O)O B137347 [0,1,0,0,0,0|1,0,1]=3 583 B6R0.3 CC(=C)C(=O)NC N159439 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.3 CC(=C)C(=O)NC N563684 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.3 CC(=C)C(=O)OC M109623 [0,1,0,0,0,0|1,0,1]=3 586 B6R0.3 CC(=C)C(=O)OC M109626 [0,1,0,0,0,0|1,0,1]=3 587 B6R0.3 CC(=C)C(=O)OC M109629 [0,1,0,0,0,0|1,0,1]=3 588 B6R0.3 CC(=C)C(=O)OC P141442 [0,1,0,0,0,0|1,0,1]=3 589 B6R0.3 CC(=C)C(=O)OC P141443 [0,1,0,0,0,0|1,0,1]=3 590 B6R0.3 CC(=C)C(=O)OC P141444 [0,1,0,0,0,0|1,0,1]=3 591 B6R0.3 CC(=C)C(=O)OC P434521 [0,1,0,0,0,0|1,0,1]=3 592 B6R0.3 CC(=C)C(=O)OC P434523 [0,1,0,0,0,0|1,0,1]=3 593 B6R0.3 CC(=C)C(=O)OC P434524 [0,1,0,0,0,0|1,0,1]=3 594 B6R0.3 CC(=C)C(=O)OC P478276 [0,1,0,0,0,0|1,0,1]=3 595 B6R0.3 CC(=C)C(=O)OC P598682 [0,1,0,0,0,0|1,0,1]=3 596 B6R0.3 CC(=NO)C(=O)C D111028 [0,1,0,0,0,0|1,0,1]=3 597 B6R0.3 CC(=NO)C(=O)C D111029 [0,1,0,0,0,0|1,0,1]=3 598 B6R0.3 CC(=O)C(=O)CBr B185016 [0,1,0,0,0,0|1,0,2]=4 599 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,0,0,0,0|0,0,2]=3 600 B6R0.3 CC(=O)N(C)C=C N124471 [0,1,0,0,0,0|3,0,0]=4 601 B6R0.3 CC(=O)N(C)OC N159405 [0,1,0,0,0,0|2,0,0]=3 602 B6R0.3 CC(C(=O)NC)N L354750 [0,1,0,0,0,0|2,0,0]=3 603 B6R0.3 CC(C(=O)O)NC I133832 [0,1,0,0,0,0|1,0,0]=2 604 B6R0.3 CC(C(=O)O)NC I135858 [0,1,0,0,0,0|1,0,0]=2 605 B6R0.3 CC(C(=O)O)NC N303350 [0,1,0,0,0,0|1,0,0]=2 606 B6R0.3 CC(C(=O)O)OC M193402 [0,1,0,0,0,0|0,0,0]=1 607 B6R0.3 CC(C(=O)O)OC P477810 [0,1,0,0,0,0|0,0,0]=1 608 B6R0.3 CC(C(=O)OC)Br M117975 [0,1,0,0,0,0|1,0,0]=2 609 B6R0.3 CC(C(=O)OC)Cl M102467 [0,1,0,0,0,0|1,0,0]=2 610 B6R0.3 CC(C(=O)OC)Cl M110142 [0,1,0,0,0,0|1,0,0]=2 611 B6R0.3 CC(C(=O)OC)Cl M158574 [0,1,0,0,0,0|1,0,0]=2 612 B6R0.3 CC(C(=O)OC)N A100771 [0,1,0,0,0,0|1,0,0]=2 613 B6R0.3 CC(C(=O)OC)N A100815 [0,1,0,0,0,0|1,0,0]=2 614 B6R0.3 CC(C(=O)OC)N A116955 [0,1,0,0,0,0|1,0,0]=2 615 B6R0.3 CC(C(=O)OC)O M132799 [0,1,0,0,0,0|0,0,0]=1 616 B6R0.3 CC(C(=O)OC)O M158257 [0,1,0,0,0,0|0,0,0]=1 617 B6R0.3 CC(C(=O)OC)O M158854 [0,1,0,0,0,0|0,0,0]=1 618 B6R0.3 CC(C(CO)N)O S134976 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.3 CC(C(CO)N)O T117147 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.3 CC(C(CO)O)O B152043 [0,1,0,0,0,0|0,0,2]=3 621 B6R0.3 CC(C)C(=O)OC M100041 [0,1,0,0,0,0|1,0,0]=2 622 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.3 CC(C=C)C(=O)O M404731 [0,1,0,0,0,0|1,0,0]=2 626 B6R0.3 CC(CBr)C(=O)O B135992 [0,1,0,0,0,0|1,0,0]=2 627 B6R0.3 CC(CN)C(=O)O D131745 [0,1,0,0,0,0|1,0,0]=2 628 B6R0.3 CC(CN)C(=O)O R340811 [0,1,0,0,0,0|1,0,0]=2 629 B6R0.3 CC(CN)C(=O)O S340803 [0,1,0,0,0,0|1,0,0]=2 630 B6R0.3 CC(CO)C(=O)O R343446 [0,1,0,0,0,0|0,0,0]=1 631 B6R0.3 CC(CS)C(=O)O M158216 [0,1,0,0,0,0|0,1,0]=2 632 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,0,0,0,0|2,0,1]=4 633 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,0,0,0,0|2,0,1]=4 634 B6R0.3 CC=C(C)C(=O)Cl T161611 [0,1,0,0,0,0|2,0,1]=4 635 B6R0.3 CC=C(C)C(=O)O B137277 [0,1,0,0,0,0|1,0,1]=3 636 B6R0.3 CC=C(C)C(=O)O T107164 [0,1,0,0,0,0|1,0,1]=3 637 B6R0.3 CC=C(C)C(C)C C153480 [0,1,0,0,0,0|3,0,0]=4 638 B6R0.3 CCC(=C)C(=O)O E477290 [0,1,0,0,0,0|1,0,1]=3 639 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,0,0,0,0|1,0,2]=4 640 B6R0.3 CCC(=O)C(=O)O K106253 [0,1,0,0,0,0|0,0,2]=3 641 B6R0.3 CCC(=O)C(=O)[O-] S161412 [0,1,0,0,0,0|0,0,3]=4 642 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.3 CCC(=O)N(C)C D128096 [0,1,0,0,0,0|3,0,0]=4 644 B6R0.3 CCC(C(=O)Br)Br B135808 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.3 CCC(C(=O)C)S M102973 [0,1,0,0,0,0|1,1,0]=3 646 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,1,0,0,0,0|2,0,0]=3 647 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,1,0,0,0,0|2,0,0]=3 648 B6R0.3 CCC(C(=O)N)Cl B301389 [0,1,0,0,0,0|2,0,0]=3 649 B6R0.3 CCC(C(=O)N)N A119770 [0,1,0,0,0,0|2,0,0]=3 650 B6R0.3 CCC(C(=O)N)N A124384 [0,1,0,0,0,0|2,0,0]=3 651 B6R0.3 CCC(C(=O)O)Br B108037 [0,1,0,0,0,0|1,0,0]=2 652 B6R0.3 CCC(C(=O)O)Cl C153465 [0,1,0,0,0,0|1,0,0]=2 653 B6R0.3 CCC(C(=O)O)Cl S161173 [0,1,0,0,0,0|1,0,0]=2 654 B6R0.3 CCC(C(=O)O)N A109788 [0,1,0,0,0,0|1,0,0]=2 655 B6R0.3 CCC(C(=O)O)N A111241 [0,1,0,0,0,0|1,0,0]=2 656 B6R0.3 CCC(C(=O)O)N A111260 [0,1,0,0,0,0|1,0,0]=2 657 B6R0.3 CCC(C(=O)O)N A414642 [0,1,0,0,0,0|1,0,0]=2 658 B6R0.3 CCC(C(=O)O)N D422924 [0,1,0,0,0,0|1,0,0]=2 659 B6R0.3 CCC(C(=O)O)O D298806 [0,1,0,0,0,0|0,0,0]=1 660 B6R0.3 CCC(C(=O)O)O S192800 [0,1,0,0,0,0|0,0,0]=1 661 B6R0.3 CCC(C(=O)[O-])O H101414 [0,1,0,0,0,0|0,0,1]=2 662 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|2,0,1]=4 663 B6R0.3 CCC(C)C(=O)C M158800 [0,1,0,0,0,0|2,0,0]=3 664 B6R0.3 CCC(C)C(=O)O I167890 [0,1,0,0,0,0|1,0,0]=2 665 B6R0.3 CCC(C)C(=O)O M107377 [0,1,0,0,0,0|1,0,0]=2 666 B6R0.3 CCN(C)C(=O)C N193140 [0,1,0,0,0,0|3,0,0]=4 667 B6R0.3 CCN(C)C(=O)Cl N159123 [0,1,0,0,0,0|3,0,0]=4 668 B6R0.3 CN(C(=O)N)N=O N136701 [0,1,0,0,0,0|2,0,1]=4 669 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|3,0,0]=4 670 B6R0.3 CN(C)C(=O)CBr B185138 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.3 CN(C)C(=O)CCl C107991 [0,1,0,0,0,0|3,0,0]=4 672 B6R0.3 CN(C)C(=O)CN A182307 [0,1,0,0,0,0|3,0,0]=4 673 B6R0.3 CN(C)C(=O)CO H587302 [0,1,0,0,0,0|2,0,0]=3 674 B6R0.3 CNC(=O)C(=O)O M588605 [0,1,0,0,0,0|0,0,2]=3 675 B6R0.3 CNC(=O)N(C)C T348049 [0,1,0,0,0,0|3,0,0]=4 676 B6R0.3 COC(=O)C(=C)Br M193464 [0,1,0,0,0,0|1,0,2]=4 677 B6R0.3 COC(=O)C(=C)Cl M158644 [0,1,0,0,0,0|1,0,2]=4 678 B6R0.3 COC(=O)C(=C)F M138536 [0,1,0,0,0,0|1,0,2]=4 679 B6R0.3 COC(=O)C(=N)N M589620 [0,1,0,0,0,0|2,0,1]=4 680 B6R0.3 COC(=O)C(=O)Cl M111140 [0,1,0,0,0,0|1,0,2]=4 681 B6R0.3 COC(=O)C(Cl)Cl M106416 [0,1,0,0,0,0|2,0,0]=3 682 B6R0.3 COC(=O)C(F)F M158796 [0,1,0,0,0,0|2,0,0]=3 683 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,1,0,0,0,0|1,0,0]=2 684 B6R0.7 C(=O)(C(Br)(Br)Br)O T162118 [0,1,0,0,0,0|2,0,0]=3 685 B6R0.7 C(=O)(C(Cl)(Cl)Cl)N T106678 [0,1,0,0,0,0|3,0,0]=4 686 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291704 [0,1,0,0,0,0|2,0,0]=3 687 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291705 [0,1,0,0,0,0|2,0,0]=3 688 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291706 [0,1,0,0,0,0|2,0,0]=3 689 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291707 [0,1,0,0,0,0|2,0,0]=3 690 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291708 [0,1,0,0,0,0|2,0,0]=3 691 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291709 [0,1,0,0,0,0|2,0,0]=3 692 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291711 [0,1,0,0,0,0|2,0,0]=3 693 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291716 [0,1,0,0,0,0|2,0,0]=3 694 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291717 [0,1,0,0,0,0|2,0,0]=3 695 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291718 [0,1,0,0,0,0|2,0,0]=3 696 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T104257 [0,1,0,0,0,0|2,0,0]=3 697 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T104261 [0,1,0,0,0,0|2,0,0]=3 698 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T433650 [0,1,0,0,0,0|2,0,0]=3 699 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T433651 [0,1,0,0,0,0|2,0,0]=3 700 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T433652 [0,1,0,0,0,0|2,0,0]=3 701 B6R0.7 C(=O)(C(Cl)(Cl)Cl)[O-] S300445 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.7 C(=O)(C(F)(F)Br)Br B346228 [0,1,0,0,0,0|3,0,0]=4 703 B6R0.7 C(=O)(C(F)(F)Br)Cl B357028 [0,1,0,0,0,0|3,0,0]=4 704 B6R0.7 C(=O)(C(F)(F)Br)[O-] S161354 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.7 C(=O)(C(F)(F)Cl)O C102106 [0,1,0,0,0,0|2,0,0]=3 706 B6R0.7 C(=O)(C(F)(F)Cl)[O-] S102104 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.7 C(=O)(C(F)(F)F)N T110544 [0,1,0,0,0,0|3,0,0]=4 708 B6R0.7 C(=O)(C(F)(F)F)O A485236 [0,1,0,0,0,0|2,0,0]=3 709 B6R0.7 C(=O)(C(F)(F)F)O B433654 [0,1,0,0,0,0|2,0,0]=3 710 B6R0.7 C(=O)(C(F)(F)F)O P303764 [0,1,0,0,0,0|2,0,0]=3 711 B6R0.7 C(=O)(C(F)(F)F)O R118543 [0,1,0,0,0,0|2,0,0]=3 712 B6R0.7 C(=O)(C(F)(F)F)O T103291 [0,1,0,0,0,0|2,0,0]=3 713 B6R0.7 C(=O)(C(F)(F)F)O T103292 [0,1,0,0,0,0|2,0,0]=3 714 B6R0.7 C(=O)(C(F)(F)F)O T103293 [0,1,0,0,0,0|2,0,0]=3 715 B6R0.7 C(=O)(C(F)(F)F)O T103294 [0,1,0,0,0,0|2,0,0]=3 716 B6R0.7 C(=O)(C(F)(F)F)O T103295 [0,1,0,0,0,0|2,0,0]=3 717 B6R0.7 C(=O)(C(F)(F)F)O T103296 [0,1,0,0,0,0|2,0,0]=3 718 B6R0.7 C(=O)(C(F)(F)F)O T109782 [0,1,0,0,0,0|2,0,0]=3 719 B6R0.7 C(=O)(C(F)(F)F)O T109783 [0,1,0,0,0,0|2,0,0]=3 720 B6R0.7 C(=O)(C(F)(F)F)O T281759 [0,1,0,0,0,0|2,0,0]=3 721 B6R0.7 C(=O)(C(F)(F)F)O T433657 [0,1,0,0,0,0|2,0,0]=3 722 B6R0.7 C(=O)(C(F)(F)F)O T491258 [0,1,0,0,0,0|2,0,0]=3 723 B6R0.7 C(=O)(C(F)(F)F)[O-] C121852 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.7 C(=O)(C(F)(F)F)[O-] C303068 [0,1,0,0,0,0|2,0,1]=4 725 B6R0.7 C(=O)(C(F)(F)F)[O-] L169327 [0,1,0,0,0,0|2,0,1]=4 726 B6R0.7 C(=O)(C(F)(F)F)[O-] P118659 [0,1,0,0,0,0|2,0,1]=4 727 B6R0.7 C(=O)(C(F)(F)F)[O-] P133101 [0,1,0,0,0,0|2,0,1]=4 728 B6R0.7 C(=O)(C(F)(F)F)[O-] S101693 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.7 C(=O)(C(F)(F)F)[O-] S101694 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.7 C(=O)(C(F)(F)F)[O-] S109509 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.7 C(=O)(C(F)(F)F)[O-] T161482 [0,1,0,0,0,0|2,0,1]=4 732 B6R0.7 C(=O)(C(F)(F)F)[O-] Z332569 [0,1,0,0,0,0|2,0,1]=4 733 B6R0.7 CC(=C)C(C)(C)C T162384 [0,1,0,0,0,0|3,0,0]=4 734 B6R0.7 CC(=O)C(C)(C)Br B151949 [0,1,0,0,0,0|2,0,0]=3 735 B6R0.7 CC(=O)C(C)(C)C P186447 [0,1,0,0,0,0|2,0,0]=3 736 B6R0.7 CC(=O)C(C)(C)O H138057 [0,1,0,0,0,0|1,0,0]=2 737 B6R0.7 CC(=O)C(Cl)(Cl)Cl T161568 [0,1,0,0,0,0|3,0,0]=4 738 B6R0.7 CC(C(=O)O)(Cl)Cl D114722 [0,1,0,0,0,0|1,0,0]=2 739 B6R0.7 CC(C(=O)O)(Cl)Cl D140875 [0,1,0,0,0,0|1,0,0]=2 740 B6R0.7 CC(C(=O)O)(F)F W135486 [0,1,0,0,0,0|1,0,0]=2 741 B6R0.7 CC(C(=O)[O-])(Cl)Cl S161405 [0,1,0,0,0,0|1,0,1]=3 742 B6R0.7 CC(C(=O)[O-])(F)F S578784 [0,1,0,0,0,0|1,0,1]=3 743 B6R0.7 CC(C(F)(F)F)O T572962 [0,1,0,0,0,0|2,0,1]=4 744 B6R0.7 CC(C(F)(F)F)O W135487 [0,1,0,0,0,0|2,0,1]=4 745 B6R0.7 CC(C)(C(=O)Br)Br B106971 [0,1,0,0,0,0|2,0,0]=3 746 B6R0.7 CC(C)(C(=O)N)Br B152951 [0,1,0,0,0,0|2,0,0]=3 747 B6R0.7 CC(C)(C(=O)N)O H156960 [0,1,0,0,0,0|1,0,0]=2 748 B6R0.7 CC(C)(C(=O)O)Br B106968 [0,1,0,0,0,0|1,0,0]=2 749 B6R0.7 CC(C)(C(=O)O)N A117156 [0,1,0,0,0,0|1,0,0]=2 750 B6R0.7 CC(C)(C(=O)O)O H113439 [0,1,0,0,0,0|0,0,0]=1 751 B6R0.7 CC(C)(C(=O)O)O H474834 [0,1,0,0,0,0|0,0,0]=1 752 B6R0.7 CC(C)(C)C(=N)N P160326 [0,1,0,0,0,0|3,0,0]=4 753 B6R0.7 CC(C)(C)C(=O)N P160454 [0,1,0,0,0,0|2,0,0]=3 754 B6R0.7 CC(C)(C)C(=O)O P101329 [0,1,0,0,0,0|1,0,0]=2 755 B6R0.7 CC(C)(C)C(=O)[O-] C153540 [0,1,0,0,0,0|1,0,1]=3 756 B6R0.7 CC(C)(C)C(=O)[O-] P299607 [0,1,0,0,0,0|1,0,1]=3 757 B6R0.7 CC(C)(C)C(=O)[O-] S160973 [0,1,0,0,0,0|1,0,1]=3 758 B6R0.7 CC(C)(C)C(=O)[O-] S302271 [0,1,0,0,0,0|1,0,1]=3 759 B6R0.7 CC(C)(C)C(=O)[O-] Z587448 [0,1,0,0,0,0|1,0,1]=3 760 B6R0.7 CC(C)(C)C(=S)N D589723 [0,1,0,0,0,0|2,1,0]=4 761 B6R0.7 CC(C)(C)S(=O)Cl T102339 [0,1,0,0,0,0|3,0,0]=4 762 B6R0.7 CC(C)(C)S(=O)N M105667 [0,1,0,0,0,0|3,0,0]=4 763 B6R0.7 CC(C)(C)S(=O)N M113209 [0,1,0,0,0,0|3,0,0]=4 764 B6R0.7 CC(C)(C)S(=O)N T161651 [0,1,0,0,0,0|3,0,0]=4 765 B6R0.7 CC(C)(C)[N+](=O)[O-] M157780 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.7 CC(C)C(C)(C)O D472523 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.7 CC(C)S(=O)(=O)Cl I157703 [0,1,0,0,0,0|2,0,1]=4 768 B6R1.11 B(C1CC1)(O)O C120273 [0,0,0,1,0,0|2,0,1]=4 769 B6R1.11 C1CC1C(=N)N C153636 [0,0,0,1,0,0|3,0,0]=4 770 B6R1.11 C1CC1C(=O)Cl C133840 [0,0,0,1,0,0|2,0,0]=3 771 B6R1.11 C1CC1C(=O)N C134392 [0,0,0,1,0,0|2,0,0]=3 772 B6R1.11 C1CC1C(=O)O C106979 [0,0,0,1,0,0|1,0,0]=2 773 B6R1.11 CC(=O)C1CC1 C108050 [0,0,0,1,0,0|2,0,0]=3 774 B6R1.11 CC(C1CC1)O C153900 [0,0,0,1,0,0|2,0,1]=4 775 B6R0.2 B(CC(C)C)(O)O M120307 [0,0,0,0,0,1|2,0,1]=4 776 B6R0.2 B(CC(C)C)(O)O M299536 [0,0,0,0,0,1|2,0,1]=4 777 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,0,0,0,0,1|1,0,2]=4 778 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,0,0,0,0,1|1,0,1]=3 779 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,0,0,0,0,1|1,0,1]=3 780 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,0,0,0,0,1|1,0,1]=3 781 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,0,0,0,0,1|1,0,1]=3 782 B6R0.2 CC(=C)OC(=O)C I108612 [0,0,0,0,0,1|2,0,1]=4 783 B6R0.2 CC(=CC(=O)C)C M105926 [0,0,0,0,0,1|2,0,1]=4 784 B6R0.2 CC(=CC(=O)C)C M105927 [0,0,0,0,0,1|2,0,1]=4 785 B6R0.2 CC(=CC(=O)C)C M105928 [0,0,0,0,0,1|2,0,1]=4 786 B6R0.2 CC(=CC(=O)C)N F156686 [0,0,0,0,0,1|2,0,1]=4 787 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,0,1|1,0,1]=3 788 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,0,1|1,0,1]=3 789 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,0,1|1,0,1]=3 790 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,0,1|1,0,1]=3 791 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,0,1|1,0,1]=3 792 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,0,1|1,0,1]=3 793 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,0,1|1,0,1]=3 794 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,0,1|1,0,1]=3 795 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,0,1|1,0,1]=3 796 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,0,1|1,0,1]=3 797 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,0,1|1,0,1]=3 798 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,0,1|1,0,1]=3 799 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,0,1|1,0,1]=3 800 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,0,1|1,0,1]=3 801 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,0,1|1,0,1]=3 802 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,0,1|1,0,1]=3 803 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,0,1|1,0,1]=3 804 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,0,1|1,0,1]=3 805 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,0,1|1,0,1]=3 806 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,0,1|1,0,1]=3 807 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,0,1|1,0,1]=3 808 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,0,1|1,0,1]=3 809 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,0,1|1,0,1]=3 810 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,0,1|1,0,1]=3 811 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,0,1|1,0,1]=3 812 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,0,1|1,0,1]=3 813 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,0,1|1,0,1]=3 814 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,0,1|1,0,1]=3 815 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,0,1|1,0,1]=3 816 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,0,1|1,0,1]=3 817 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,0,1|1,0,1]=3 818 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,0,1|1,0,1]=3 819 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,0,1|1,0,1]=3 820 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,0,0,0,0,1|1,0,2]=4 821 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,0,0,0,0,1|1,0,2]=4 822 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,0,0,0,0,1|1,0,2]=4 823 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,0,0,0,0,1|1,0,2]=4 824 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,0,0,0,0,1|1,0,2]=4 825 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,0,0,0,0,1|1,0,2]=4 826 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,0,0,0,0,1|1,0,2]=4 827 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,0,0,0,0,1|1,0,2]=4 828 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,0,0,0,0,1|1,0,2]=4 829 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,0,0,0,0,1|1,0,2]=4 830 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,0,0,0,0,1|1,0,2]=4 831 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,0,0,0,0,1|1,0,2]=4 832 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,0,0,0,0,1|1,0,2]=4 833 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,0,0,0,0,1|1,0,2]=4 834 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,0,0,0,0,1|1,0,2]=4 835 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,0,0,0,0,1|1,0,2]=4 836 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,0,0,0,0,1|1,0,2]=4 837 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,0,0,0,0,1|1,0,2]=4 838 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,0,0,0,0,1|1,0,2]=4 839 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,0,0,0,0,1|2,0,1]=4 840 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,0,1|1,0,1]=3 841 B6R0.2 CC(=O)CC(=O)C A110366 [0,0,0,0,0,1|1,0,2]=4 842 B6R0.2 CC(=O)CC(=O)C A110367 [0,0,0,0,0,1|1,0,2]=4 843 B6R0.2 CC(=O)CC(=O)C A110370 [0,0,0,0,0,1|1,0,2]=4 844 B6R0.2 CC(=O)CC(=O)N A194123 [0,0,0,0,0,1|1,0,2]=4 845 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,0,0,0,0,1|0,0,3]=4 846 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,0,0,0,0,1|0,0,3]=4 847 B6R0.2 CC(=O)CN(C)C D167514 [0,0,0,0,0,1|3,0,0]=4 848 B6R0.2 CC(=O)NC(=O)N A114125 [0,0,0,0,0,1|1,0,2]=4 849 B6R0.2 CC(=O)OC(=O)C A302240 [0,0,0,0,0,1|1,0,2]=4 850 B6R0.2 CC(=O)OC(=O)C A474130 [0,0,0,0,0,1|1,0,2]=4 851 B6R0.2 CC(=O)SC(=O)C A151355 [0,0,0,0,0,1|1,0,2]=4 852 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,0,0,0,0,1|1,0,2]=4 853 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,0,0,0,0,1|1,0,2]=4 854 B6R0.2 CC(C)C=C(C)C D155423 [0,0,0,0,0,1|3,0,0]=4 855 B6R0.2 CC(C)CC(=O)C M108736 [0,0,0,0,0,1|2,0,0]=3 856 B6R0.2 CC(C)CC(=O)C M108737 [0,0,0,0,0,1|2,0,0]=3 857 B6R0.2 CC(C)CC(=O)C M108738 [0,0,0,0,0,1|2,0,0]=3 858 B6R0.2 CC(C)CC(=O)C M108740 [0,0,0,0,0,1|2,0,0]=3 859 B6R0.2 CC(C)CC(=O)C M108741 [0,0,0,0,0,1|2,0,0]=3 860 B6R0.2 CC(C)CC(=O)C M492092 [0,0,0,0,0,1|2,0,0]=3 861 B6R0.2 CC(C)CC(=O)Cl I157679 [0,0,0,0,0,1|2,0,0]=3 862 B6R0.2 CC(C)CC(=O)O I108280 [0,0,0,0,0,1|1,0,0]=2 863 B6R0.2 CC(C)CC(=O)O I108281 [0,0,0,0,0,1|1,0,0]=2 864 B6R0.2 CC(C)CC(=O)O I424338 [0,0,0,0,0,1|1,0,0]=2 865 B6R0.2 CC(C)CC(=O)O I432771 [0,0,0,0,0,1|1,0,0]=2 866 B6R0.2 CC(C)CC(C)O M104491 [0,0,0,0,0,1|2,0,1]=4 867 B6R0.2 CC(C)NC(=O)C N586389 [0,0,0,0,0,1|2,0,0]=3 868 B6R0.2 CC(C)OC(=O)C I103453 [0,0,0,0,0,1|2,0,0]=3 869 B6R0.2 CC(C)OC(=O)C I103454 [0,0,0,0,0,1|2,0,0]=3 870 B6R0.2 CC(C)OC(=O)C I103455 [0,0,0,0,0,1|2,0,0]=3 871 B6R0.2 CC(C)OC(=O)N I157610 [0,0,0,0,0,1|2,0,0]=3 872 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,0,0,0,0,1|1,2,0]=4 873 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [0,0,0,0,0,1|2,0,1]=4 874 B6R0.2 CC(CC(=O)O)Br B169132 [0,0,0,0,0,1|1,0,0]=2 875 B6R0.2 CC(CC(=O)O)Cl C153466 [0,0,0,0,0,1|1,0,0]=2 876 B6R0.2 CC(CC(=O)O)N A100948 [0,0,0,0,0,1|1,0,0]=2 877 B6R0.2 CC(CC(=O)O)N H117041 [0,0,0,0,0,1|1,0,0]=2 878 B6R0.2 CC(CC(=O)O)N R184127 [0,0,0,0,0,1|1,0,0]=2 879 B6R0.2 CC(CC(=O)O)N S193074 [0,0,0,0,0,1|1,0,0]=2 880 B6R0.2 CC(CC(=O)O)O P347707 [0,0,0,0,0,1|0,0,0]=1 881 B6R0.2 CC(CC(=O)O)O R304188 [0,0,0,0,0,1|0,0,0]=1 882 B6R0.2 CC(CC(=O)O)O R425172 [0,0,0,0,0,1|0,0,0]=1 883 B6R0.2 CC(CC(=O)O)O S161108 [0,0,0,0,0,1|0,0,0]=1 884 B6R0.2 CC(CC(=O)O)O S194215 [0,0,0,0,0,1|0,0,0]=1 885 B6R0.2 CC(CC(=O)[O-])O B301134 [0,0,0,0,0,1|0,0,1]=2 886 B6R0.2 CC(CC(=O)[O-])O H121822 [0,0,0,0,0,1|0,0,1]=2 887 B6R0.2 CC(CC(=O)[O-])O X131756 [0,0,0,0,0,1|0,0,1]=2 888 B6R0.2 CC(CC(C)O)O R160958 [0,0,0,0,0,1|1,0,1]=3 889 B6R0.2 CC(CC(C)O)O S161001 [0,0,0,0,0,1|1,0,1]=3 890 B6R0.2 CC(CN(C)C)O B282542 [0,0,0,0,0,1|3,0,0]=4 891 B6R0.2 CC(CN(C)C)O D155704 [0,0,0,0,0,1|3,0,0]=4 892 B6R0.2 CC(OC(=O)C)Br B303662 [0,0,0,0,0,1|2,0,0]=3 893 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,0,0,0,0,1|2,0,0]=3 894 B6R0.2 CN(C)CC(=O)O D115675 [0,0,0,0,0,1|2,0,0]=3 895 B6R0.2 CN(C)CC(=O)O N159831 [0,0,0,0,0,1|2,0,0]=3 896 B6R0.2 CN(C)CC(=O)O N420632 [0,0,0,0,0,1|2,0,0]=3 897 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|0,0,2]=4 898 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|0,0,2]=4 899 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|0,0,2]=4 900 B3R0.1 C(=O)NN F109757 [2,0,0,0,0,0|2,0,0]=4 901 B3R0.1 C(CBr)O B111177 [2,0,0,0,0,0|1,0,1]=4 902 B3R0.1 C(CBr)O B111178 [2,0,0,0,0,0|1,0,1]=4 903 B3R0.1 C(CBr)O B136478 [2,0,0,0,0,0|1,0,1]=4 904 B3R0.1 C(CF)O F110315 [2,0,0,0,0,0|1,0,1]=4 905 B3R0.1 C(CI)O I137311 [2,0,0,0,0,0|1,0,1]=4 906 B3R0.1 C(CI)O I575056 [2,0,0,0,0,0|1,0,1]=4 907 B3R0.1 C(CO)N A301834 [2,0,0,0,0,0|1,0,1]=4 908 B3R0.1 C(CO)N E103802 [2,0,0,0,0,0|1,0,1]=4 909 B3R0.1 C(CO)N E103806 [2,0,0,0,0,0|1,0,1]=4 910 B3R0.1 C(CO)N E103808 [2,0,0,0,0,0|1,0,1]=4 911 B3R0.1 C(CO)N E103809 [2,0,0,0,0,0|1,0,1]=4 912 B3R0.1 C(CO)N E103810 [2,0,0,0,0,0|1,0,1]=4 913 B3R0.1 C(CO)N E120635 [2,0,0,0,0,0|1,0,1]=4 914 B3R0.1 C(CO)N E292771 [2,0,0,0,0,0|1,0,1]=4 915 B3R0.1 C(CO)N E292783 [2,0,0,0,0,0|1,0,1]=4 916 B3R0.1 C(CO)N E301792 [2,0,0,0,0,0|1,0,1]=4 917 B3R0.1 C(CO)N E422436 [2,0,0,0,0,0|1,0,1]=4 918 B3R0.1 C(CO)N E491883 [2,0,0,0,0,0|1,0,1]=4 919 B3R0.1 C(CO)O E103318 [2,0,0,0,0,0|0,0,1]=3 920 B3R0.1 C(CO)O E103319 [2,0,0,0,0,0|0,0,1]=3 921 B3R0.1 C(CO)O E103321 [2,0,0,0,0,0|0,0,1]=3 922 B3R0.1 C(CO)O E103322 [2,0,0,0,0,0|0,0,1]=3 923 B3R0.1 C(CO)O E103323 [2,0,0,0,0,0|0,0,1]=3 924 B3R0.1 C(CO)O E119700 [2,0,0,0,0,0|0,0,1]=3 925 B3R0.1 C(CO)O E336117 [2,0,0,0,0,0|0,0,1]=3 926 B3R0.1 C(CO)O E431350 [2,0,0,0,0,0|0,0,1]=3 927 B3R0.1 C(CO)O E472164 [2,0,0,0,0,0|0,0,1]=3 928 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|0,1,1]=4 929 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|0,1,1]=4 930 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|0,1,1]=4 931 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|0,0,2]=4 932 B3R0.1 C=CCBr A108658 [2,0,0,0,0,0|2,0,0]=4 933 B3R0.1 C=CCCl A103820 [2,0,0,0,0,0|2,0,0]=4 934 B3R0.1 C=CCCl A103821 [2,0,0,0,0,0|2,0,0]=4 935 B3R0.1 C=CCCl A103822 [2,0,0,0,0,0|2,0,0]=4 936 B3R0.1 C=CCCl A141152 [2,0,0,0,0,0|2,0,0]=4 937 B3R0.1 C=CCI A109401 [2,0,0,0,0,0|2,0,0]=4 938 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|2,0,0]=4 939 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|2,0,0]=4 940 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|2,0,0]=4 941 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|2,0,0]=4 942 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|2,0,0]=4 943 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,1]=4 944 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,1]=4 945 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|1,0,1]=4 946 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,0]=2 947 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,0]=2 948 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,1]=4 949 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,1]=4 950 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,1]=4 951 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,1]=4 952 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,1]=4 953 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,1]=4 954 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,1]=4 955 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,1]=4 956 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,1]=4 957 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,1]=4 958 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,1]=4 959 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,1]=4 960 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,1]=4 961 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,1]=4 962 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,0,1]=3 963 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,0,1]=3 964 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,0,1]=3 965 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,0,1]=3 966 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,0,1]=3 967 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,0,1]=3 968 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,0,1]=3 969 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,0,1]=3 970 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,0,1]=3 971 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,1,1]=4 972 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,1,1]=4 973 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|1,0,1]=4 974 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|1,0,1]=4 975 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|1,0,1]=4 976 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|1,0,1]=4 977 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|1,0,1]=4 978 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,0,2]=4 979 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,0,2]=4 980 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,1,1]=4 981 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,0,0]=3 982 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 983 B3R0.1 CCSC E140654 [2,0,0,0,0,0|2,0,0]=4 984 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|1,0,1]=4 985 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|2,0,0]=4 986 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|2,0,0]=4 987 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|2,0,0]=4 988 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|1,0,0]=3 989 B3R0.1 COC=C P304875 [2,0,0,0,0,0|2,0,0]=4 990 B3R0.2 B(C)(O)O M120271 [2,0,0,0,0,0|1,0,0]=3 991 B3R0.2 B(O)(O)O B111592 [2,0,0,0,0,0|1,0,1]=4 992 B3R0.2 B(O)(O)O B111594 [2,0,0,0,0,0|1,0,1]=4 993 B3R0.2 B(O)(O)O B111597 [2,0,0,0,0,0|1,0,1]=4 994 B3R0.2 B(O)(O)O B111599 [2,0,0,0,0,0|1,0,1]=4 995 B3R0.2 B(O)(O)O B111601 [2,0,0,0,0,0|1,0,1]=4 996 B3R0.2 B(O)(O)O B111604 [2,0,0,0,0,0|1,0,1]=4 997 B3R0.2 B(O)(O)O B111605 [2,0,0,0,0,0|1,0,1]=4 998 B3R0.2 B(O)(O)O B111606 [2,0,0,0,0,0|1,0,1]=4 999 B3R0.2 B(O)(O)O B140880 [2,0,0,0,0,0|1,0,1]=4 1000 B3R0.2 B(O)(O)O B331493 [2,0,0,0,0,0|1,0,1]=4 1001 B3R0.2 B(O)(O)O B331494 [2,0,0,0,0,0|1,0,1]=4 1002 B3R0.2 B(O)(O)O B335153 [2,0,0,0,0,0|1,0,1]=4 1003 B3R0.2 B(O)(O)O B431188 [2,0,0,0,0,0|1,0,1]=4 1004 B3R0.2 B(O)(O)O B431189 [2,0,0,0,0,0|1,0,1]=4 1005 B3R0.2 B(O)(O)O p117667 [2,0,0,0,0,0|1,0,1]=4 1006 B3R0.2 C(=O)(N)N H106855 [2,0,0,0,0,0|2,0,0]=4 1007 B3R0.2 C(=O)(N)N U101479 [2,0,0,0,0,0|2,0,0]=4 1008 B3R0.2 C(=O)(N)N U101481 [2,0,0,0,0,0|2,0,0]=4 1009 B3R0.2 C(=O)(N)N U111897 [2,0,0,0,0,0|2,0,0]=4 1010 B3R0.2 C(=O)(N)N U111898 [2,0,0,0,0,0|2,0,0]=4 1011 B3R0.2 C(=O)(N)N U111899 [2,0,0,0,0,0|2,0,0]=4 1012 B3R0.2 C(=O)(N)N U111901 [2,0,0,0,0,0|2,0,0]=4 1013 B3R0.2 C(=O)(N)N U111902 [2,0,0,0,0,0|2,0,0]=4 1014 B3R0.2 C(=O)(N)N U111903 [2,0,0,0,0,0|2,0,0]=4 1015 B3R0.2 C(=O)(N)N U111904 [2,0,0,0,0,0|2,0,0]=4 1016 B3R0.2 C(=O)(N)N U119692 [2,0,0,0,0,0|2,0,0]=4 1017 B3R0.2 C(=O)(N)N U141075 [2,0,0,0,0,0|2,0,0]=4 1018 B3R0.2 C(=O)(N)N U304906 [2,0,0,0,0,0|2,0,0]=4 1019 B3R0.2 C(=O)(N)N U424822 [2,0,0,0,0,0|2,0,0]=4 1020 B3R0.2 C(=O)(N)N U471932 [2,0,0,0,0,0|2,0,0]=4 1021 B3R0.2 C(=O)(N)N U491109 [2,0,0,0,0,0|2,0,0]=4 1022 B3R0.2 C(=O)(N)[O-] A113918 [2,0,0,0,0,0|1,0,1]=4 1023 B3R0.2 C(=O)(O)[O-] A110536 [2,0,0,0,0,0|0,0,1]=3 1024 B3R0.2 C(=O)(O)[O-] A110537 [2,0,0,0,0,0|0,0,1]=3 1025 B3R0.2 C(=O)(O)[O-] A431332 [2,0,0,0,0,0|0,0,1]=3 1026 B3R0.2 C(=O)(O)[O-] A431333 [2,0,0,0,0,0|0,0,1]=3 1027 B3R0.2 C(=O)(O)[O-] C303357 [2,0,0,0,0,0|0,0,1]=3 1028 B3R0.2 C(=O)(O)[O-] P110485 [2,0,0,0,0,0|0,0,1]=3 1029 B3R0.2 C(=O)(O)[O-] P110487 [2,0,0,0,0,0|0,0,1]=3 1030 B3R0.2 C(=O)(O)[O-] P118601 [2,0,0,0,0,0|0,0,1]=3 1031 B3R0.2 C(=O)(O)[O-] P639954 [2,0,0,0,0,0|0,0,1]=3 1032 B3R0.2 C(=O)(O)[O-] S112331 [2,0,0,0,0,0|0,0,1]=3 1033 B3R0.2 C(=O)(O)[O-] S112334 [2,0,0,0,0,0|0,0,1]=3 1034 B3R0.2 C(=O)(O)[O-] S112335 [2,0,0,0,0,0|0,0,1]=3 1035 B3R0.2 C(=O)(O)[O-] S112337 [2,0,0,0,0,0|0,0,1]=3 1036 B3R0.2 C(=O)(O)[O-] S112338 [2,0,0,0,0,0|0,0,1]=3 1037 B3R0.2 C(=O)(O)[O-] S112339 [2,0,0,0,0,0|0,0,1]=3 1038 B3R0.2 C(=O)(O)[O-] S118660 [2,0,0,0,0,0|0,0,1]=3 1039 B3R0.2 C(=O)(O)[O-] S331496 [2,0,0,0,0,0|0,0,1]=3 1040 B3R0.2 C(=O)(O)[O-] S401669 [2,0,0,0,0,0|0,0,1]=3 1041 B3R0.2 C(=O)(O)[O-] S432108 [2,0,0,0,0,0|0,0,1]=3 1042 B3R0.2 C(=O)(O)[O-] S432109 [2,0,0,0,0,0|0,0,1]=3 1043 B3R0.2 C(=O)(O)[O-] S432111 [2,0,0,0,0,0|0,0,1]=3 1044 B3R0.2 C(=O)(O)[O-] S604571 [2,0,0,0,0,0|0,0,1]=3 1045 B3R0.2 C(=O)(O)[O-] S639888 [2,0,0,0,0,0|0,0,1]=3 1046 B3R0.2 C(=O)(O)[O-] T290608 [2,0,0,0,0,0|0,0,1]=3 1047 B3R0.2 C(=O)(O)[O-] Z113329 [2,0,0,0,0,0|0,0,1]=3 1048 B3R0.2 C(=O)([O-])[O-] A110371 [2,0,0,0,0,0|0,0,2]=4 1049 B3R0.2 C(=O)([O-])[O-] A110373 [2,0,0,0,0,0|0,0,2]=4 1050 B3R0.2 C(=O)([O-])[O-] A118825 [2,0,0,0,0,0|0,0,2]=4 1051 B3R0.2 C(=O)([O-])[O-] A291926 [2,0,0,0,0,0|0,0,2]=4 1052 B3R0.2 C(=O)([O-])[O-] A432782 [2,0,0,0,0,0|0,0,2]=4 1053 B3R0.2 C(=O)([O-])[O-] A485838 [2,0,0,0,0,0|0,0,2]=4 1054 B3R0.2 C(=O)([O-])[O-] B112362 [2,0,0,0,0,0|0,0,2]=4 1055 B3R0.2 C(=O)([O-])[O-] B112363 [2,0,0,0,0,0|0,0,2]=4 1056 B3R0.2 C(=O)([O-])[O-] B112364 [2,0,0,0,0,0|0,0,2]=4 1057 B3R0.2 C(=O)([O-])[O-] B112365 [2,0,0,0,0,0|0,0,2]=4 1058 B3R0.2 C(=O)([O-])[O-] B112366 [2,0,0,0,0,0|0,0,2]=4 1059 B3R0.2 C(=O)([O-])[O-] B112367 [2,0,0,0,0,0|0,0,2]=4 1060 B3R0.2 C(=O)([O-])[O-] B117838 [2,0,0,0,0,0|0,0,2]=4 1061 B3R0.2 C(=O)([O-])[O-] B139811 [2,0,0,0,0,0|0,0,2]=4 1062 B3R0.2 C(=O)([O-])[O-] C100153 [2,0,0,0,0,0|0,0,2]=4 1063 B3R0.2 C(=O)([O-])[O-] C100155 [2,0,0,0,0,0|0,0,2]=4 1064 B3R0.2 C(=O)([O-])[O-] C102101 [2,0,0,0,0,0|0,0,2]=4 1065 B3R0.2 C(=O)([O-])[O-] C102102 [2,0,0,0,0,0|0,0,2]=4 1066 B3R0.2 C(=O)([O-])[O-] C105060 [2,0,0,0,0,0|0,0,2]=4 1067 B3R0.2 C(=O)([O-])[O-] C105061 [2,0,0,0,0,0|0,0,2]=4 1068 B3R0.2 C(=O)([O-])[O-] C105063 [2,0,0,0,0,0|0,0,2]=4 1069 B3R0.2 C(=O)([O-])[O-] C105380 [2,0,0,0,0,0|0,0,2]=4 1070 B3R0.2 C(=O)([O-])[O-] C111980 [2,0,0,0,0,0|0,0,2]=4 1071 B3R0.2 C(=O)([O-])[O-] C111984 [2,0,0,0,0,0|0,0,2]=4 1072 B3R0.2 C(=O)([O-])[O-] C111985 [2,0,0,0,0,0|0,0,2]=4 1073 B3R0.2 C(=O)([O-])[O-] C111986 [2,0,0,0,0,0|0,0,2]=4 1074 B3R0.2 C(=O)([O-])[O-] C111987 [2,0,0,0,0,0|0,0,2]=4 1075 B3R0.2 C(=O)([O-])[O-] C111988 [2,0,0,0,0,0|0,0,2]=4 1076 B3R0.2 C(=O)([O-])[O-] C118654 [2,0,0,0,0,0|0,0,2]=4 1077 B3R0.2 C(=O)([O-])[O-] C118705 [2,0,0,0,0,0|0,0,2]=4 1078 B3R0.2 C(=O)([O-])[O-] C141292 [2,0,0,0,0,0|0,0,2]=4 1079 B3R0.2 C(=O)([O-])[O-] C193679 [2,0,0,0,0,0|0,0,2]=4 1080 B3R0.2 C(=O)([O-])[O-] C301706 [2,0,0,0,0,0|0,0,2]=4 1081 B3R0.2 C(=O)([O-])[O-] C301707 [2,0,0,0,0,0|0,0,2]=4 1082 B3R0.2 C(=O)([O-])[O-] C301708 [2,0,0,0,0,0|0,0,2]=4 1083 B3R0.2 C(=O)([O-])[O-] C301709 [2,0,0,0,0,0|0,0,2]=4 1084 B3R0.2 C(=O)([O-])[O-] C341739 [2,0,0,0,0,0|0,0,2]=4 1085 B3R0.2 C(=O)([O-])[O-] C432741 [2,0,0,0,0,0|0,0,2]=4 1086 B3R0.2 C(=O)([O-])[O-] C432743 [2,0,0,0,0,0|0,0,2]=4 1087 B3R0.2 C(=O)([O-])[O-] C432744 [2,0,0,0,0,0|0,0,2]=4 1088 B3R0.2 C(=O)([O-])[O-] D303484 [2,0,0,0,0,0|0,0,2]=4 1089 B3R0.2 C(=O)([O-])[O-] D340770 [2,0,0,0,0,0|0,0,2]=4 1090 B3R0.2 C(=O)([O-])[O-] E112966 [2,0,0,0,0,0|0,0,2]=4 1091 B3R0.2 C(=O)([O-])[O-] E304793 [2,0,0,0,0,0|0,0,2]=4 1092 B3R0.2 C(=O)([O-])[O-] F302419 [2,0,0,0,0,0|0,0,2]=4 1093 B3R0.2 C(=O)([O-])[O-] G349487 [2,0,0,0,0,0|0,0,2]=4 1094 B3R0.2 C(=O)([O-])[O-] H302201 [2,0,0,0,0,0|0,0,2]=4 1095 B3R0.2 C(=O)([O-])[O-] L101679 [2,0,0,0,0,0|0,0,2]=4 1096 B3R0.2 C(=O)([O-])[O-] L101681 [2,0,0,0,0,0|0,0,2]=4 1097 B3R0.2 C(=O)([O-])[O-] L101684 [2,0,0,0,0,0|0,0,2]=4 1098 B3R0.2 C(=O)([O-])[O-] L101685 [2,0,0,0,0,0|0,0,2]=4 1099 B3R0.2 C(=O)([O-])[O-] L105143 [2,0,0,0,0,0|0,0,2]=4 1100 B3R0.2 C(=O)([O-])[O-] L105146 [2,0,0,0,0,0|0,0,2]=4 1101 B3R0.2 C(=O)([O-])[O-] L118639 [2,0,0,0,0,0|0,0,2]=4 1102 B3R0.2 C(=O)([O-])[O-] L196236 [2,0,0,0,0,0|0,0,2]=4 1103 B3R0.2 C(=O)([O-])[O-] L424716 [2,0,0,0,0,0|0,0,2]=4 1104 B3R0.2 C(=O)([O-])[O-] L616481 [2,0,0,0,0,0|0,0,2]=4 1105 B3R0.2 C(=O)([O-])[O-] L616497 [2,0,0,0,0,0|0,0,2]=4 1106 B3R0.2 C(=O)([O-])[O-] M111694 [2,0,0,0,0,0|0,0,2]=4 1107 B3R0.2 C(=O)([O-])[O-] M111695 [2,0,0,0,0,0|0,0,2]=4 1108 B3R0.2 C(=O)([O-])[O-] M141071 [2,0,0,0,0,0|0,0,2]=4 1109 B3R0.2 C(=O)([O-])[O-] M303145 [2,0,0,0,0,0|0,0,2]=4 1110 B3R0.2 C(=O)([O-])[O-] M466608 [2,0,0,0,0,0|0,0,2]=4 1111 B3R0.2 C(=O)([O-])[O-] P111556 [2,0,0,0,0,0|0,0,2]=4 1112 B3R0.2 C(=O)([O-])[O-] P111558 [2,0,0,0,0,0|0,0,2]=4 1113 B3R0.2 C(=O)([O-])[O-] P111561 [2,0,0,0,0,0|0,0,2]=4 1114 B3R0.2 C(=O)([O-])[O-] P111562 [2,0,0,0,0,0|0,0,2]=4 1115 B3R0.2 C(=O)([O-])[O-] P111563 [2,0,0,0,0,0|0,0,2]=4 1116 B3R0.2 C(=O)([O-])[O-] P294003 [2,0,0,0,0,0|0,0,2]=4 1117 B3R0.2 C(=O)([O-])[O-] P299567 [2,0,0,0,0,0|0,0,2]=4 1118 B3R0.2 C(=O)([O-])[O-] P345539 [2,0,0,0,0,0|0,0,2]=4 1119 B3R0.2 C(=O)([O-])[O-] P399177 [2,0,0,0,0,0|0,0,2]=4 1120 B3R0.2 C(=O)([O-])[O-] P432993 [2,0,0,0,0,0|0,0,2]=4 1121 B3R0.2 C(=O)([O-])[O-] P475259 [2,0,0,0,0,0|0,0,2]=4 1122 B3R0.2 C(=O)([O-])[O-] P485460 [2,0,0,0,0,0|0,0,2]=4 1123 B3R0.2 C(=O)([O-])[O-] R105381 [2,0,0,0,0,0|0,0,2]=4 1124 B3R0.2 C(=O)([O-])[O-] R121990 [2,0,0,0,0,0|0,0,2]=4 1125 B3R0.2 C(=O)([O-])[O-] S102039 [2,0,0,0,0,0|0,0,2]=4 1126 B3R0.2 C(=O)([O-])[O-] S102041 [2,0,0,0,0,0|0,0,2]=4 1127 B3R0.2 C(=O)([O-])[O-] S102043 [2,0,0,0,0,0|0,0,2]=4 1128 B3R0.2 C(=O)([O-])[O-] S102045 [2,0,0,0,0,0|0,0,2]=4 1129 B3R0.2 C(=O)([O-])[O-] S102046 [2,0,0,0,0,0|0,0,2]=4 1130 B3R0.2 C(=O)([O-])[O-] S104735 [2,0,0,0,0,0|0,0,2]=4 1131 B3R0.2 C(=O)([O-])[O-] S104737 [2,0,0,0,0,0|0,0,2]=4 1132 B3R0.2 C(=O)([O-])[O-] S111733 [2,0,0,0,0,0|0,0,2]=4 1133 B3R0.2 C(=O)([O-])[O-] S111735 [2,0,0,0,0,0|0,0,2]=4 1134 B3R0.2 C(=O)([O-])[O-] S111736 [2,0,0,0,0,0|0,0,2]=4 1135 B3R0.2 C(=O)([O-])[O-] S111737 [2,0,0,0,0,0|0,0,2]=4 1136 B3R0.2 C(=O)([O-])[O-] S111738 [2,0,0,0,0,0|0,0,2]=4 1137 B3R0.2 C(=O)([O-])[O-] S111739 [2,0,0,0,0,0|0,0,2]=4 1138 B3R0.2 C(=O)([O-])[O-] S112589 [2,0,0,0,0,0|0,0,2]=4 1139 B3R0.2 C(=O)([O-])[O-] S112591 [2,0,0,0,0,0|0,0,2]=4 1140 B3R0.2 C(=O)([O-])[O-] S112592 [2,0,0,0,0,0|0,0,2]=4 1141 B3R0.2 C(=O)([O-])[O-] S113834 [2,0,0,0,0,0|0,0,2]=4 1142 B3R0.2 C(=O)([O-])[O-] S117544 [2,0,0,0,0,0|0,0,2]=4 1143 B3R0.2 C(=O)([O-])[O-] S119016 [2,0,0,0,0,0|0,0,2]=4 1144 B3R0.2 C(=O)([O-])[O-] S119487 [2,0,0,0,0,0|0,0,2]=4 1145 B3R0.2 C(=O)([O-])[O-] S141342 [2,0,0,0,0,0|0,0,2]=4 1146 B3R0.2 C(=O)([O-])[O-] S189038 [2,0,0,0,0,0|0,0,2]=4 1147 B3R0.2 C(=O)([O-])[O-] S283014 [2,0,0,0,0,0|0,0,2]=4 1148 B3R0.2 C(=O)([O-])[O-] S291927 [2,0,0,0,0,0|0,0,2]=4 1149 B3R0.2 C(=O)([O-])[O-] S291928 [2,0,0,0,0,0|0,0,2]=4 1150 B3R0.2 C(=O)([O-])[O-] S291929 [2,0,0,0,0,0|0,0,2]=4 1151 B3R0.2 C(=O)([O-])[O-] S291930 [2,0,0,0,0,0|0,0,2]=4 1152 B3R0.2 C(=O)([O-])[O-] S291931 [2,0,0,0,0,0|0,0,2]=4 1153 B3R0.2 C(=O)([O-])[O-] S291932 [2,0,0,0,0,0|0,0,2]=4 1154 B3R0.2 C(=O)([O-])[O-] S291933 [2,0,0,0,0,0|0,0,2]=4 1155 B3R0.2 C(=O)([O-])[O-] S291935 [2,0,0,0,0,0|0,0,2]=4 1156 B3R0.2 C(=O)([O-])[O-] S291943 [2,0,0,0,0,0|0,0,2]=4 1157 B3R0.2 C(=O)([O-])[O-] S399117 [2,0,0,0,0,0|0,0,2]=4 1158 B3R0.2 C(=O)([O-])[O-] S432174 [2,0,0,0,0,0|0,0,2]=4 1159 B3R0.2 C(=O)([O-])[O-] S432759 [2,0,0,0,0,0|0,0,2]=4 1160 B3R0.2 C(=O)([O-])[O-] S432760 [2,0,0,0,0,0|0,0,2]=4 1161 B3R0.2 C(=O)([O-])[O-] S432761 [2,0,0,0,0,0|0,0,2]=4 1162 B3R0.2 C(=O)([O-])[O-] S591270 [2,0,0,0,0,0|0,0,2]=4 1163 B3R0.2 C(=O)([O-])[O-] T302043 [2,0,0,0,0,0|0,0,2]=4 1164 B3R0.2 C(=O)([O-])[O-] T302044 [2,0,0,0,0,0|0,0,2]=4 1165 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,1]=4 1166 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|1,0,1]=4 1167 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|1,0,1]=4 1168 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|1,0,1]=4 1169 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|1,0,1]=4 1170 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|1,0,1]=4 1171 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|1,0,1]=4 1172 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|1,0,1]=4 1173 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|1,0,1]=4 1174 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|1,0,1]=4 1175 B3R0.2 CC(=N)N A107218 [2,0,0,0,0,0|2,0,0]=4 1176 B3R0.2 CC(=N)N A151335 [2,0,0,0,0,0|2,0,0]=4 1177 B3R0.2 CC(=N)N A405649 [2,0,0,0,0,0|2,0,0]=4 1178 B3R0.2 CC(=O)Br A109619 [2,0,0,0,0,0|1,0,0]=3 1179 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|1,0,0]=3 1180 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|1,0,0]=3 1181 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|1,0,0]=3 1182 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|1,0,0]=3 1183 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|1,0,0]=3 1184 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|1,0,0]=3 1185 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|1,0,0]=3 1186 B3R0.2 CC(=O)Cl A108662 [2,0,0,0,0,0|1,0,0]=3 1187 B3R0.2 CC(=O)Cl A108664 [2,0,0,0,0,0|1,0,0]=3 1188 B3R0.2 CC(=O)Cl A121289 [2,0,0,0,0,0|1,0,0]=3 1189 B3R0.2 CC(=O)Cl A140638 [2,0,0,0,0,0|1,0,0]=3 1190 B3R0.2 CC(=O)I A151620 [2,0,0,0,0,0|1,0,0]=3 1191 B3R0.2 CC(=O)N A108460 [2,0,0,0,0,0|1,0,0]=3 1192 B3R0.2 CC(=O)N A108461 [2,0,0,0,0,0|1,0,0]=3 1193 B3R0.2 CC(=O)N A108462 [2,0,0,0,0,0|1,0,0]=3 1194 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|0,0,0]=2 1195 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|0,0,0]=2 1196 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|0,0,0]=2 1197 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|0,0,0]=2 1198 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|0,0,0]=2 1199 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|0,0,0]=2 1200 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|0,0,0]=2 1201 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|0,0,0]=2 1202 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|0,0,0]=2 1203 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|0,0,0]=2 1204 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|0,0,0]=2 1205 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|0,0,0]=2 1206 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|0,0,0]=2 1207 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|0,0,0]=2 1208 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|0,0,0]=2 1209 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|0,0,0]=2 1210 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|0,0,0]=2 1211 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|0,0,0]=2 1212 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|0,0,0]=2 1213 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|0,0,0]=2 1214 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|0,0,0]=2 1215 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|0,0,0]=2 1216 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|0,0,0]=2 1217 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|0,0,0]=2 1218 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|0,0,0]=2 1219 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|0,0,0]=2 1220 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|0,0,0]=2 1221 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|0,0,0]=2 1222 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|0,0,0]=2 1223 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|0,0,0]=2 1224 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|0,0,0]=2 1225 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|0,0,0]=2 1226 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|0,0,0]=2 1227 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|0,0,0]=2 1228 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|0,0,0]=2 1229 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|0,0,0]=2 1230 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|0,0,0]=2 1231 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|0,0,0]=2 1232 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|0,1,0]=3 1233 B3R0.2 CC(=O)[O-] A111331 [2,0,0,0,0,0|0,0,1]=3 1234 B3R0.2 CC(=O)[O-] A112048 [2,0,0,0,0,0|0,0,1]=3 1235 B3R0.2 CC(=O)[O-] A112055 [2,0,0,0,0,0|0,0,1]=3 1236 B3R0.2 CC(=O)[O-] A112056 [2,0,0,0,0,0|0,0,1]=3 1237 B3R0.2 CC(=O)[O-] A112057 [2,0,0,0,0,0|0,0,1]=3 1238 B3R0.2 CC(=O)[O-] A112058 [2,0,0,0,0,0|0,0,1]=3 1239 B3R0.2 CC(=O)[O-] A112059 [2,0,0,0,0,0|0,0,1]=3 1240 B3R0.2 CC(=O)[O-] A112060 [2,0,0,0,0,0|0,0,1]=3 1241 B3R0.2 CC(=O)[O-] A112061 [2,0,0,0,0,0|0,0,1]=3 1242 B3R0.2 CC(=O)[O-] A121772 [2,0,0,0,0,0|0,0,1]=3 1243 B3R0.2 CC(=O)[O-] A294961 [2,0,0,0,0,0|0,0,1]=3 1244 B3R0.2 CC(=O)[O-] A294964 [2,0,0,0,0,0|0,0,1]=3 1245 B3R0.2 CC(=O)[O-] A433166 [2,0,0,0,0,0|0,0,1]=3 1246 B3R0.2 CC(=O)[O-] B102945 [2,0,0,0,0,0|0,0,1]=3 1247 B3R0.2 CC(=O)[O-] B102947 [2,0,0,0,0,0|0,0,1]=3 1248 B3R0.2 CC(=O)[O-] B102949 [2,0,0,0,0,0|0,0,1]=3 1249 B3R0.2 CC(=O)[O-] B303104 [2,0,0,0,0,0|0,0,1]=3 1250 B3R0.2 CC(=O)[O-] B303105 [2,0,0,0,0,0|0,0,1]=3 1251 B3R0.2 CC(=O)[O-] C100139 [2,0,0,0,0,0|0,0,1]=3 1252 B3R0.2 CC(=O)[O-] C100141 [2,0,0,0,0,0|0,0,1]=3 1253 B3R0.2 CC(=O)[O-] C105400 [2,0,0,0,0,0|0,0,1]=3 1254 B3R0.2 CC(=O)[O-] C106020 [2,0,0,0,0,0|0,0,1]=3 1255 B3R0.2 CC(=O)[O-] C106650 [2,0,0,0,0,0|0,0,1]=3 1256 B3R0.2 CC(=O)[O-] C106651 [2,0,0,0,0,0|0,0,1]=3 1257 B3R0.2 CC(=O)[O-] C108085 [2,0,0,0,0,0|0,0,1]=3 1258 B3R0.2 CC(=O)[O-] C108885 [2,0,0,0,0,0|0,0,1]=3 1259 B3R0.2 CC(=O)[O-] C108886 [2,0,0,0,0,0|0,0,1]=3 1260 B3R0.2 CC(=O)[O-] C110803 [2,0,0,0,0,0|0,0,1]=3 1261 B3R0.2 CC(=O)[O-] C110804 [2,0,0,0,0,0|0,0,1]=3 1262 B3R0.2 CC(=O)[O-] C110805 [2,0,0,0,0,0|0,0,1]=3 1263 B3R0.2 CC(=O)[O-] C110807 [2,0,0,0,0,0|0,0,1]=3 1264 B3R0.2 CC(=O)[O-] C118497 [2,0,0,0,0,0|0,0,1]=3 1265 B3R0.2 CC(=O)[O-] C118636 [2,0,0,0,0,0|0,0,1]=3 1266 B3R0.2 CC(=O)[O-] C118637 [2,0,0,0,0,0|0,0,1]=3 1267 B3R0.2 CC(=O)[O-] C131576 [2,0,0,0,0,0|0,0,1]=3 1268 B3R0.2 CC(=O)[O-] C153760 [2,0,0,0,0,0|0,0,1]=3 1269 B3R0.2 CC(=O)[O-] C197275 [2,0,0,0,0,0|0,0,1]=3 1270 B3R0.2 CC(=O)[O-] C305845 [2,0,0,0,0,0|0,0,1]=3 1271 B3R0.2 CC(=O)[O-] C433063 [2,0,0,0,0,0|0,0,1]=3 1272 B3R0.2 CC(=O)[O-] C433113 [2,0,0,0,0,0|0,0,1]=3 1273 B3R0.2 CC(=O)[O-] C472574 [2,0,0,0,0,0|0,0,1]=3 1274 B3R0.2 CC(=O)[O-] C485449 [2,0,0,0,0,0|0,0,1]=3 1275 B3R0.2 CC(=O)[O-] C616592 [2,0,0,0,0,0|0,0,1]=3 1276 B3R0.2 CC(=O)[O-] E347618 [2,0,0,0,0,0|0,0,1]=3 1277 B3R0.2 CC(=O)[O-] G302975 [2,0,0,0,0,0|0,0,1]=3 1278 B3R0.2 CC(=O)[O-] H283501 [2,0,0,0,0,0|0,0,1]=3 1279 B3R0.2 CC(=O)[O-] I157596 [2,0,0,0,0,0|0,0,1]=3 1280 B3R0.2 CC(=O)[O-] I192310 [2,0,0,0,0,0|0,0,1]=3 1281 B3R0.2 CC(=O)[O-] I432598 [2,0,0,0,0,0|0,0,1]=3 1282 B3R0.2 CC(=O)[O-] I432599 [2,0,0,0,0,0|0,0,1]=3 1283 B3R0.2 CC(=O)[O-] L102778 [2,0,0,0,0,0|0,0,1]=3 1284 B3R0.2 CC(=O)[O-] L102779 [2,0,0,0,0,0|0,0,1]=3 1285 B3R0.2 CC(=O)[O-] L105189 [2,0,0,0,0,0|0,0,1]=3 1286 B3R0.2 CC(=O)[O-] L105191 [2,0,0,0,0,0|0,0,1]=3 1287 B3R0.2 CC(=O)[O-] L105192 [2,0,0,0,0,0|0,0,1]=3 1288 B3R0.2 CC(=O)[O-] L106809 [2,0,0,0,0,0|0,0,1]=3 1289 B3R0.2 CC(=O)[O-] L106810 [2,0,0,0,0,0|0,0,1]=3 1290 B3R0.2 CC(=O)[O-] L118609 [2,0,0,0,0,0|0,0,1]=3 1291 B3R0.2 CC(=O)[O-] L118858 [2,0,0,0,0,0|0,0,1]=3 1292 B3R0.2 CC(=O)[O-] L168480 [2,0,0,0,0,0|0,0,1]=3 1293 B3R0.2 CC(=O)[O-] L189058 [2,0,0,0,0,0|0,0,1]=3 1294 B3R0.2 CC(=O)[O-] L196609 [2,0,0,0,0,0|0,0,1]=3 1295 B3R0.2 CC(=O)[O-] L331817 [2,0,0,0,0,0|0,0,1]=3 1296 B3R0.2 CC(=O)[O-] M108880 [2,0,0,0,0,0|0,0,1]=3 1297 B3R0.2 CC(=O)[O-] M108882 [2,0,0,0,0,0|0,0,1]=3 1298 B3R0.2 CC(=O)[O-] M108883 [2,0,0,0,0,0|0,0,1]=3 1299 B3R0.2 CC(=O)[O-] M108884 [2,0,0,0,0,0|0,0,1]=3 1300 B3R0.2 CC(=O)[O-] M131577 [2,0,0,0,0,0|0,0,1]=3 1301 B3R0.2 CC(=O)[O-] M168281 [2,0,0,0,0,0|0,0,1]=3 1302 B3R0.2 CC(=O)[O-] M302852 [2,0,0,0,0,0|0,0,1]=3 1303 B3R0.2 CC(=O)[O-] M433192 [2,0,0,0,0,0|0,0,1]=3 1304 B3R0.2 CC(=O)[O-] M587217 [2,0,0,0,0,0|0,0,1]=3 1305 B3R0.2 CC(=O)[O-] M615748 [2,0,0,0,0,0|0,0,1]=3 1306 B3R0.2 CC(=O)[O-] P100486 [2,0,0,0,0,0|0,0,1]=3 1307 B3R0.2 CC(=O)[O-] P108325 [2,0,0,0,0,0|0,0,1]=3 1308 B3R0.2 CC(=O)[O-] P108329 [2,0,0,0,0,0|0,0,1]=3 1309 B3R0.2 CC(=O)[O-] P108330 [2,0,0,0,0,0|0,0,1]=3 1310 B3R0.2 CC(=O)[O-] P111485 [2,0,0,0,0,0|0,0,1]=3 1311 B3R0.2 CC(=O)[O-] P111486 [2,0,0,0,0,0|0,0,1]=3 1312 B3R0.2 CC(=O)[O-] P160183 [2,0,0,0,0,0|0,0,1]=3 1313 B3R0.2 CC(=O)[O-] P283478 [2,0,0,0,0,0|0,0,1]=3 1314 B3R0.2 CC(=O)[O-] P283931 [2,0,0,0,0,0|0,0,1]=3 1315 B3R0.2 CC(=O)[O-] P299555 [2,0,0,0,0,0|0,0,1]=3 1316 B3R0.2 CC(=O)[O-] P299556 [2,0,0,0,0,0|0,0,1]=3 1317 B3R0.2 CC(=O)[O-] P639156 [2,0,0,0,0,0|0,0,1]=3 1318 B3R0.2 CC(=O)[O-] R102671 [2,0,0,0,0,0|0,0,1]=3 1319 B3R0.2 CC(=O)[O-] R283395 [2,0,0,0,0,0|0,0,1]=3 1320 B3R0.2 CC(=O)[O-] R304476 [2,0,0,0,0,0|0,0,1]=3 1321 B3R0.2 CC(=O)[O-] S104731 [2,0,0,0,0,0|0,0,1]=3 1322 B3R0.2 CC(=O)[O-] S104733 [2,0,0,0,0,0|0,0,1]=3 1323 B3R0.2 CC(=O)[O-] S111519 [2,0,0,0,0,0|0,0,1]=3 1324 B3R0.2 CC(=O)[O-] S111520 [2,0,0,0,0,0|0,0,1]=3 1325 B3R0.2 CC(=O)[O-] S111521 [2,0,0,0,0,0|0,0,1]=3 1326 B3R0.2 CC(=O)[O-] S111522 [2,0,0,0,0,0|0,0,1]=3 1327 B3R0.2 CC(=O)[O-] S112480 [2,0,0,0,0,0|0,0,1]=3 1328 B3R0.2 CC(=O)[O-] S116316 [2,0,0,0,0,0|0,0,1]=3 1329 B3R0.2 CC(=O)[O-] S116317 [2,0,0,0,0,0|0,0,1]=3 1330 B3R0.2 CC(=O)[O-] S116318 [2,0,0,0,0,0|0,0,1]=3 1331 B3R0.2 CC(=O)[O-] S116319 [2,0,0,0,0,0|0,0,1]=3 1332 B3R0.2 CC(=O)[O-] S116320 [2,0,0,0,0,0|0,0,1]=3 1333 B3R0.2 CC(=O)[O-] S118647 [2,0,0,0,0,0|0,0,1]=3 1334 B3R0.2 CC(=O)[O-] S118648 [2,0,0,0,0,0|0,0,1]=3 1335 B3R0.2 CC(=O)[O-] S118649 [2,0,0,0,0,0|0,0,1]=3 1336 B3R0.2 CC(=O)[O-] S118650 [2,0,0,0,0,0|0,0,1]=3 1337 B3R0.2 CC(=O)[O-] S118661 [2,0,0,0,0,0|0,0,1]=3 1338 B3R0.2 CC(=O)[O-] S121307 [2,0,0,0,0,0|0,0,1]=3 1339 B3R0.2 CC(=O)[O-] S299214 [2,0,0,0,0,0|0,0,1]=3 1340 B3R0.2 CC(=O)[O-] S299215 [2,0,0,0,0,0|0,0,1]=3 1341 B3R0.2 CC(=O)[O-] S301881 [2,0,0,0,0,0|0,0,1]=3 1342 B3R0.2 CC(=O)[O-] S301882 [2,0,0,0,0,0|0,0,1]=3 1343 B3R0.2 CC(=O)[O-] S305337 [2,0,0,0,0,0|0,0,1]=3 1344 B3R0.2 CC(=O)[O-] S306014 [2,0,0,0,0,0|0,0,1]=3 1345 B3R0.2 CC(=O)[O-] S331497 [2,0,0,0,0,0|0,0,1]=3 1346 B3R0.2 CC(=O)[O-] S335300 [2,0,0,0,0,0|0,0,1]=3 1347 B3R0.2 CC(=O)[O-] S339494 [2,0,0,0,0,0|0,0,1]=3 1348 B3R0.2 CC(=O)[O-] S421119 [2,0,0,0,0,0|0,0,1]=3 1349 B3R0.2 CC(=O)[O-] S431676 [2,0,0,0,0,0|0,0,1]=3 1350 B3R0.2 CC(=O)[O-] S431678 [2,0,0,0,0,0|0,0,1]=3 1351 B3R0.2 CC(=O)[O-] S431679 [2,0,0,0,0,0|0,0,1]=3 1352 B3R0.2 CC(=O)[O-] S431680 [2,0,0,0,0,0|0,0,1]=3 1353 B3R0.2 CC(=O)[O-] S434883 [2,0,0,0,0,0|0,0,1]=3 1354 B3R0.2 CC(=O)[O-] T303317 [2,0,0,0,0,0|0,0,1]=3 1355 B3R0.2 CC(=O)[O-] T304247 [2,0,0,0,0,0|0,0,1]=3 1356 B3R0.2 CC(=O)[O-] T331924 [2,0,0,0,0,0|0,0,1]=3 1357 B3R0.2 CC(=O)[O-] Z110777 [2,0,0,0,0,0|0,0,1]=3 1358 B3R0.2 CC(=O)[O-] Z110779 [2,0,0,0,0,0|0,0,1]=3 1359 B3R0.2 CC(=O)[O-] Z110780 [2,0,0,0,0,0|0,0,1]=3 1360 B3R0.2 CC(=O)[O-] Z110957 [2,0,0,0,0,0|0,0,1]=3 1361 B3R0.2 CC(=O)[O-] Z111245 [2,0,0,0,0,0|0,0,1]=3 1362 B3R0.2 CC(=O)[O-] Z119378 [2,0,0,0,0,0|0,0,1]=3 1363 B3R0.2 CC(=O)[O-] Z424741 [2,0,0,0,0,0|0,0,1]=3 1364 B3R0.2 CC(=O)[O-] Z424969 [2,0,0,0,0,0|0,0,1]=3 1365 B3R0.2 CC(=O)[O-] Z433041 [2,0,0,0,0,0|0,0,1]=3 1366 B3R0.2 CC(=O)[O-] Z434712 [2,0,0,0,0,0|0,0,1]=3 1367 B3R0.2 CC(=O)[O-] Z489311 [2,0,0,0,0,0|0,0,1]=3 1368 B3R0.2 CC(=S)N T104039 [2,0,0,0,0,0|1,1,0]=4 1369 B3R0.2 CC(=S)N T118452 [2,0,0,0,0,0|1,1,0]=4 1370 B3R0.2 CC(=S)N T425171 [2,0,0,0,0,0|1,1,0]=4 1371 B3R0.2 CC(=S)[O-] P106179 [2,0,0,0,0,0|0,1,1]=4 1372 B3R0.2 CC(Br)Br D155317 [2,0,0,0,0,0|2,0,0]=4 1373 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,1]=4 1374 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,1]=4 1375 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,1]=4 1376 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,1]=4 1377 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,1]=4 1378 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,1]=4 1379 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,1]=4 1380 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,1]=4 1381 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,1]=4 1382 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,1]=4 1383 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,0,1]=3 1384 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,0,1]=3 1385 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,0,1]=3 1386 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,0,1]=3 1387 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,0,1]=3 1388 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,0,1]=3 1389 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,0,1]=3 1390 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,0,1]=3 1391 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,0,1]=3 1392 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,0,1]=3 1393 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,0,1]=3 1394 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,0,1]=3 1395 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,0,1]=3 1396 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,0,1]=3 1397 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,0,1]=3 1398 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,0,1]=3 1399 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,0,1]=3 1400 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,1,1]=4 1401 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|1,0,1]=4 1402 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,0,2]=4 1403 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,0,2]=4 1404 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,0,2]=4 1405 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,0,2]=4 1406 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,0,2]=4 1407 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,0,2]=4 1408 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,0,2]=4 1409 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,0,2]=4 1410 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,0,2]=4 1411 B3R0.2 CC(Cl)Cl D119825 [2,0,0,0,0,0|2,0,0]=4 1412 B3R0.2 CC(Cl)Cl D128120 [2,0,0,0,0,0|2,0,0]=4 1413 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,0,1]=4 1414 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|2,0,0]=4 1415 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|2,0,0]=4 1416 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|2,0,0]=4 1417 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|2,0,0]=4 1418 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|2,0,0]=4 1419 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|2,0,0]=4 1420 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|2,0,0]=4 1421 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|2,0,0]=4 1422 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|2,0,0]=4 1423 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|2,0,0]=4 1424 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|2,0,0]=4 1425 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|2,0,0]=4 1426 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|2,0,0]=4 1427 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|2,0,0]=4 1428 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|2,0,0]=4 1429 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|2,0,0]=4 1430 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|2,0,0]=4 1431 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|2,0,0]=4 1432 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|2,0,0]=4 1433 B3R0.2 CS(=O)Cl M589856 [2,0,0,0,0,0|2,0,0]=4 1434 B3R0.2 CS(=O)[O-] S161089 [2,0,0,0,0,0|1,0,1]=4 1435 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|2,0,0]=4 1436 B3R0.2 C[N+](=O)[O-] N102268 [2,0,0,0,0,0|1,0,1]=4 1437 B3R0.2 C[N+](=O)[O-] N109661 [2,0,0,0,0,0|1,0,1]=4 1438 B3R0.2 C[N+](=O)[O-] N109662 [2,0,0,0,0,0|1,0,1]=4 1439 B3R0.2 C[N+](=O)[O-] N109664 [2,0,0,0,0,0|1,0,1]=4 1440 B3R0.2 C[N+](=O)[O-] N109665 [2,0,0,0,0,0|1,0,1]=4 1441 B3R0.2 C[N+](=O)[O-] N109666 [2,0,0,0,0,0|1,0,1]=4 1442 B3R0.2 C[N+](=O)[O-] N119666 [2,0,0,0,0,0|1,0,1]=4 1443 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|2,0,0]=4 1444 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|1,1,0]=4 1445 B3R0.2 OI(=O)=O I104593 [2,0,0,0,0,0|1,0,1]=4 1446 B3R0.2 OI(=O)=O I104594 [2,0,0,0,0,0|1,0,1]=4 1447 B3R0.2 OI(=O)=O I104595 [2,0,0,0,0,0|1,0,1]=4 1448 B3R0.2 OI(=O)=O P101302 [2,0,0,0,0,0|1,0,1]=4 1449 B3R0.2 OI(=O)=O P101306 [2,0,0,0,0,0|1,0,1]=4 1450 B3R0.2 OP(=O)=O P100468 [2,0,0,0,0,0|1,0,1]=4 1451 B3R0.2 OS(=O)O S112653 [2,0,0,0,0,0|1,0,0]=3 1452 B3R0.2 OS(=O)O S112654 [2,0,0,0,0,0|1,0,0]=3 1453 B3R0.2 OS(=O)O S615687 [2,0,0,0,0,0|1,0,0]=3 1454 B3R0.2 OS(=O)[O-] A302082 [2,0,0,0,0,0|1,0,1]=4 1455 B3R0.2 OS(=O)[O-] S111720 [2,0,0,0,0,0|1,0,1]=4 1456 B3R0.2 OS(=O)[O-] S111722 [2,0,0,0,0,0|1,0,1]=4 1457 B3R0.2 OS(=O)[O-] S111723 [2,0,0,0,0,0|1,0,1]=4 1458 B3R0.2 OS(=O)[O-] S598869 [2,0,0,0,0,0|1,0,1]=4 1459 B3R0.2 O[Ti](=O)[O-] L404110 [2,0,0,0,0,0|1,0,1]=4 1460 B3R0.2 [N+](=O)(O)[O-] A117713 [2,0,0,0,0,0|1,0,1]=4 1461 B3R0.2 [N+](=O)(O)[O-] A117714 [2,0,0,0,0,0|1,0,1]=4 1462 B3R0.2 [N+](=O)(O)[O-] A117715 [2,0,0,0,0,0|1,0,1]=4 1463 B3R0.2 [N+](=O)(O)[O-] A117716 [2,0,0,0,0,0|1,0,1]=4 1464 B3R0.2 [N+](=O)(O)[O-] A117717 [2,0,0,0,0,0|1,0,1]=4 1465 B3R0.2 [N+](=O)(O)[O-] A117719 [2,0,0,0,0,0|1,0,1]=4 1466 B3R0.2 [N+](=O)(O)[O-] N116240 [2,0,0,0,0,0|1,0,1]=4 1467 B3R0.2 [N+](=O)(O)[O-] N116241 [2,0,0,0,0,0|1,0,1]=4 1468 B3R0.2 [N+](=O)(O)[O-] N116242 [2,0,0,0,0,0|1,0,1]=4 1469 B3R0.2 [N+](=O)(O)[O-] N116243 [2,0,0,0,0,0|1,0,1]=4 1470 B3R0.2 [N+](=O)(O)[O-] N116244 [2,0,0,0,0,0|1,0,1]=4 1471 B3R0.2 [N+](=O)(O)[O-] N116245 [2,0,0,0,0,0|1,0,1]=4 1472 B3R0.2 [N+](=O)(O)[O-] N121305 [2,0,0,0,0,0|1,0,1]=4 1473 B3R0.2 [N+](=O)(O)[O-] N197229 [2,0,0,0,0,0|1,0,1]=4 1474 B3R0.2 [N+](=O)(O)[O-] N291980 [2,0,0,0,0,0|1,0,1]=4 1475 B3R0.2 [N+](=O)(O)[O-] N401565 [2,0,0,0,0,0|1,0,1]=4 1476 B3R0.2 [N+](=O)(O)[O-] N433819 [2,0,0,0,0,0|1,0,1]=4 1477 B3R0.2 [N+](=O)(O)[O-] N639640 [2,0,0,0,0,0|1,0,1]=4 1478 B5R0.1 B(CCC)(O)O P120303 [1,1,0,0,0,0|1,0,1]=4 1479 B5R0.1 C#CCC(=O)O B168856 [1,1,0,0,0,0|0,0,1]=3 1480 B5R0.1 C(C#N)C(=O)N C101310 [1,1,0,0,0,0|1,0,1]=4 1481 B5R0.1 C(C#N)C(=O)O C105698 [1,1,0,0,0,0|0,0,1]=3 1482 B5R0.1 C(C#N)C(=O)[O-] S586305 [1,1,0,0,0,0|0,0,2]=4 1483 B5R0.1 C(C(=O)O)ON C109697 [1,1,0,0,0,0|0,0,0]=2 1484 B5R0.1 C(CBr)C(=O)Cl B135557 [1,1,0,0,0,0|1,0,0]=3 1485 B5R0.1 C(CBr)C(=O)N B152335 [1,1,0,0,0,0|1,0,0]=3 1486 B5R0.1 C(CBr)C(=O)O B106081 [1,1,0,0,0,0|0,0,0]=2 1487 B5R0.1 C(CCl)C(=O)Cl C109466 [1,1,0,0,0,0|1,0,0]=3 1488 B5R0.1 C(CCl)C(=O)N C171099 [1,1,0,0,0,0|1,0,0]=3 1489 B5R0.1 C(CCl)C(=O)O C106515 [1,1,0,0,0,0|0,0,0]=2 1490 B5R0.1 C(CI)C(=O)O I157542 [1,1,0,0,0,0|0,0,0]=2 1491 B5R0.1 C(CN)C(=O)N B135870 [1,1,0,0,0,0|1,0,0]=3 1492 B5R0.1 C(CN)C(=O)O A105703 [1,1,0,0,0,0|0,0,0]=2 1493 B5R0.1 C(CN)C(=O)O A137901 [1,1,0,0,0,0|0,0,0]=2 1494 B5R0.1 C(CN)C(=O)O A494514 [1,1,0,0,0,0|0,0,0]=2 1495 B5R0.1 C(CO)C(=O)O H136635 [1,1,0,0,0,0|0,0,0]=2 1496 B5R0.1 C(CO)[N+](=O)[O-] N110256 [1,1,0,0,0,0|1,0,1]=4 1497 B5R0.1 C(CS(=O)O)N H303371 [1,1,0,0,0,0|1,0,0]=3 1498 B5R0.1 C(CS)C(=O)O M103035 [1,1,0,0,0,0|0,0,0]=2 1499 B5R0.1 C(CS)C(=O)O M103036 [1,1,0,0,0,0|0,0,0]=2 1500 B5R0.1 C(CS)C(=O)O M590994 [1,1,0,0,0,0|0,0,0]=2 1501 B5R0.1 C(OC(=O)Cl)Cl C153890 [1,1,0,0,0,0|2,0,0]=4 1502 B5R0.1 C=CCC(=O)O B152769 [1,1,0,0,0,0|0,0,1]=3 1503 B5R0.1 C=CCC(=O)O B152771 [1,1,0,0,0,0|0,0,1]=3 1504 B5R0.1 CC#CC(=O)O B113384 [1,1,0,0,0,0|0,0,1]=3 1505 B5R0.1 CC(=C)CCO M158231 [1,1,0,0,0,0|2,0,0]=4 1506 B5R0.1 CC(=CC=O)C M158692 [1,1,0,0,0,0|1,0,1]=4 1507 B5R0.1 CC(=CCO)C M106454 [1,1,0,0,0,0|1,0,1]=4 1508 B5R0.1 CC(=CCO)C M106455 [1,1,0,0,0,0|1,0,1]=4 1509 B5R0.1 CC(=O)CCO H106330 [1,1,0,0,0,0|1,0,0]=3 1510 B5R0.1 CC(=O)COC M158844 [1,1,0,0,0,0|1,0,0]=3 1511 B5R0.1 CC(=O)NCO A151630 [1,1,0,0,0,0|1,0,0]=3 1512 B5R0.1 CC(=O)OCBr B122544 [1,1,0,0,0,0|2,0,0]=4 1513 B5R0.1 CC(=O)OCCl C194261 [1,1,0,0,0,0|2,0,0]=4 1514 B5R0.1 CC(C)CC=C M158219 [1,1,0,0,0,0|2,0,0]=4 1515 B5R0.1 CC(C)CC=O I103729 [1,1,0,0,0,0|1,0,0]=3 1516 B5R0.1 CC(C)CC=O I103733 [1,1,0,0,0,0|1,0,0]=3 1517 B5R0.1 CC(C)CCO M116196 [1,1,0,0,0,0|1,0,1]=4 1518 B5R0.1 CC(C)CCO M116197 [1,1,0,0,0,0|1,0,1]=4 1519 B5R0.1 CC(C)CCO M116198 [1,1,0,0,0,0|1,0,1]=4 1520 B5R0.1 CC(C)CCO M116200 [1,1,0,0,0,0|1,0,1]=4 1521 B5R0.1 CC(C)CCO M116201 [1,1,0,0,0,0|1,0,1]=4 1522 B5R0.1 CC(C)CCO M119838 [1,1,0,0,0,0|1,0,1]=4 1523 B5R0.1 CC(C)OC=O I112304 [1,1,0,0,0,0|1,0,0]=3 1524 B5R0.1 CC(CC#C)O P160660 [1,1,0,0,0,0|1,0,1]=4 1525 B5R0.1 CC(CC=C)O P160534 [1,1,0,0,0,0|1,0,0]=3 1526 B5R0.1 CC(CC=C)O R467366 [1,1,0,0,0,0|1,0,0]=3 1527 B5R0.1 CC(CC=C)O S467331 [1,1,0,0,0,0|1,0,0]=3 1528 B5R0.1 CC(CCBr)O B589640 [1,1,0,0,0,0|1,0,1]=4 1529 B5R0.1 CC(CCO)N A123608 [1,1,0,0,0,0|1,0,1]=4 1530 B5R0.1 CC(CCO)N A183438 [1,1,0,0,0,0|1,0,1]=4 1531 B5R0.1 CC(CCO)N S176942 [1,1,0,0,0,0|1,0,1]=4 1532 B5R0.1 CC(CCO)O B111016 [1,1,0,0,0,0|0,0,1]=3 1533 B5R0.1 CC(CCO)O B111017 [1,1,0,0,0,0|0,0,1]=3 1534 B5R0.1 CC(CCO)O B111018 [1,1,0,0,0,0|0,0,1]=3 1535 B5R0.1 CC(CCO)O B119672 [1,1,0,0,0,0|0,0,1]=3 1536 B5R0.1 CC(CCO)O R160960 [1,1,0,0,0,0|0,0,1]=3 1537 B5R0.1 CC(CCO)O S138551 [1,1,0,0,0,0|0,0,1]=3 1538 B5R0.1 CC(CNC)O M587581 [1,1,0,0,0,0|1,0,1]=4 1539 B5R0.1 CC(COC)N M169973 [1,1,0,0,0,0|1,0,1]=4 1540 B5R0.1 CC(COC)N S475332 [1,1,0,0,0,0|1,0,1]=4 1541 B5R0.1 CC(COC)N S586466 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.1 CC(COC)O M105264 [1,1,0,0,0,0|0,0,1]=3 1543 B5R0.1 CC(COC)O M105265 [1,1,0,0,0,0|0,0,1]=3 1544 B5R0.1 CC(COC)O M105266 [1,1,0,0,0,0|0,0,1]=3 1545 B5R0.1 CC(COC)O M299436 [1,1,0,0,0,0|0,0,1]=3 1546 B5R0.1 CC(COC)O R160841 [1,1,0,0,0,0|0,0,1]=3 1547 B5R0.1 CC(COC)O S161357 [1,1,0,0,0,0|0,0,1]=3 1548 B5R0.1 CC=CC(=O)C P139100 [1,1,0,0,0,0|1,0,1]=4 1549 B5R0.1 CC=CC(=O)Cl C102055 [1,1,0,0,0,0|1,0,1]=4 1550 B5R0.1 CC=CC(=O)Cl C153881 [1,1,0,0,0,0|1,0,1]=4 1551 B5R0.1 CC=CC(=O)N C153720 [1,1,0,0,0,0|1,0,1]=4 1552 B5R0.1 CC=CC(=O)O C104149 [1,1,0,0,0,0|0,0,1]=3 1553 B5R0.1 CC=CC(=O)O C104150 [1,1,0,0,0,0|0,0,1]=3 1554 B5R0.1 CC=CC(C)C M158236 [1,1,0,0,0,0|2,0,0]=4 1555 B5R0.1 CC=CC(C)C T162379 [1,1,0,0,0,0|2,0,0]=4 1556 B5R0.1 CCC=C(C)C M158233 [1,1,0,0,0,0|2,0,0]=4 1557 B5R0.1 CCCC(=C)C M158211 [1,1,0,0,0,0|2,0,0]=4 1558 B5R0.1 CCCC(=O)C P103780 [1,1,0,0,0,0|1,0,0]=3 1559 B5R0.1 CCCC(=O)C P103781 [1,1,0,0,0,0|1,0,0]=3 1560 B5R0.1 CCCC(=O)C P103782 [1,1,0,0,0,0|1,0,0]=3 1561 B5R0.1 CCCC(=O)C P103783 [1,1,0,0,0,0|1,0,0]=3 1562 B5R0.1 CCCC(=O)Cl B108666 [1,1,0,0,0,0|1,0,0]=3 1563 B5R0.1 CCCC(=O)N B152329 [1,1,0,0,0,0|1,0,0]=3 1564 B5R0.1 CCCC(=O)O B110438 [1,1,0,0,0,0|0,0,0]=2 1565 B5R0.1 CCCC(=O)O B110439 [1,1,0,0,0,0|0,0,0]=2 1566 B5R0.1 CCCC(=O)O B110440 [1,1,0,0,0,0|0,0,0]=2 1567 B5R0.1 CCCC(=O)O B110442 [1,1,0,0,0,0|0,0,0]=2 1568 B5R0.1 CCCC(=O)O B274612 [1,1,0,0,0,0|0,0,0]=2 1569 B5R0.1 CCCC(=O)O B431361 [1,1,0,0,0,0|0,0,0]=2 1570 B5R0.1 CCCC(=O)[O-] S102954 [1,1,0,0,0,0|0,0,1]=3 1571 B5R0.1 CCCC(=O)[O-] S102956 [1,1,0,0,0,0|0,0,1]=3 1572 B5R0.1 CCCC(=O)[O-] S346178 [1,1,0,0,0,0|0,0,1]=3 1573 B5R0.1 CCCC(=O)[O-] S421873 [1,1,0,0,0,0|0,0,1]=3 1574 B5R0.1 CCCC(C)O P103442 [1,1,0,0,0,0|1,0,1]=4 1575 B5R0.1 CCCC(C)O P103443 [1,1,0,0,0,0|1,0,1]=4 1576 B5R0.1 CCCC(C)O R138651 [1,1,0,0,0,0|1,0,1]=4 1577 B5R0.1 CCCC(C)O S138580 [1,1,0,0,0,0|1,0,1]=4 1578 B5R0.1 CCC[N+](=O)[O-] N109053 [1,1,0,0,0,0|1,0,1]=4 1579 B5R0.1 CCNC(=O)C I135660 [1,1,0,0,0,0|1,0,0]=3 1580 B5R0.1 CCNC(=O)N E105944 [1,1,0,0,0,0|1,0,0]=3 1581 B5R0.1 CCNC(=S)N E346726 [1,1,0,0,0,0|1,1,0]=4 1582 B5R0.1 CCOC(=N)C E132730 [1,1,0,0,0,0|2,0,0]=4 1583 B5R0.1 CCOC(=N)N O183619 [1,1,0,0,0,0|2,0,0]=4 1584 B5R0.1 CCOC(=O)C E116131 [1,1,0,0,0,0|1,0,0]=3 1585 B5R0.1 CCOC(=O)C E116132 [1,1,0,0,0,0|1,0,0]=3 1586 B5R0.1 CCOC(=O)C E116133 [1,1,0,0,0,0|1,0,0]=3 1587 B5R0.1 CCOC(=O)C E116134 [1,1,0,0,0,0|1,0,0]=3 1588 B5R0.1 CCOC(=O)C E116135 [1,1,0,0,0,0|1,0,0]=3 1589 B5R0.1 CCOC(=O)C E116136 [1,1,0,0,0,0|1,0,0]=3 1590 B5R0.1 CCOC(=O)C E116137 [1,1,0,0,0,0|1,0,0]=3 1591 B5R0.1 CCOC(=O)C E116138 [1,1,0,0,0,0|1,0,0]=3 1592 B5R0.1 CCOC(=O)C E116139 [1,1,0,0,0,0|1,0,0]=3 1593 B5R0.1 CCOC(=O)C E116141 [1,1,0,0,0,0|1,0,0]=3 1594 B5R0.1 CCOC(=O)C E116142 [1,1,0,0,0,0|1,0,0]=3 1595 B5R0.1 CCOC(=O)C E119698 [1,1,0,0,0,0|1,0,0]=3 1596 B5R0.1 CCOC(=O)C E141165 [1,1,0,0,0,0|1,0,0]=3 1597 B5R0.1 CCOC(=O)C E302266 [1,1,0,0,0,0|1,0,0]=3 1598 B5R0.1 CCOC(=O)C E432070 [1,1,0,0,0,0|1,0,0]=3 1599 B5R0.1 CCOC(=O)N C266075 [1,1,0,0,0,0|1,0,0]=3 1600 B5R0.1 CCOC(=O)N E424443 [1,1,0,0,0,0|1,0,0]=3 1601 B5R0.1 CCOC(=O)N U108629 [1,1,0,0,0,0|1,0,0]=3 1602 B5R0.1 CCOC(=O)N U299635 [1,1,0,0,0,0|1,0,0]=3 1603 B5R0.1 CCOC(=S)[S-] P110999 [1,1,0,0,0,0|0,2,0]=4 1604 B5R0.1 CCOC(=S)[S-] P111000 [1,1,0,0,0,0|0,2,0]=4 1605 B5R0.1 CCOC(=S)[S-] S161075 [1,1,0,0,0,0|0,2,0]=4 1606 B5R0.1 CCOC(=S)[S-] S298709 [1,1,0,0,0,0|0,2,0]=4 1607 B5R0.1 CCO[Si](=O)O E302202 [1,1,0,0,0,0|0,1,0]=3 1608 B5R0.1 CCSC(=N)N S161123 [1,1,0,0,0,0|2,0,0]=4 1609 B5R0.1 CCSC(=O)C E107950 [1,1,0,0,0,0|1,0,0]=3 1610 B5R0.1 CCSC(=S)C E338928 [1,1,0,0,0,0|1,1,0]=4 1611 B5R0.1 CN(C)CC=O D587172 [1,1,0,0,0,0|2,0,0]=4 1612 B5R0.1 CNCC(=O)N S115899 [1,1,0,0,0,0|1,0,0]=3 1613 B5R0.1 CNCC(=O)O S102891 [1,1,0,0,0,0|0,0,0]=2 1614 B5R0.1 CNCC(=O)O S113893 [1,1,0,0,0,0|0,0,0]=2 1615 B5R0.1 CNCC(=O)O S420541 [1,1,0,0,0,0|0,0,0]=2 1616 B5R0.1 CNCC(=O)[O-] S189142 [1,1,0,0,0,0|0,0,1]=3 1617 B5R0.1 COCC(=O)Cl M124203 [1,1,0,0,0,0|1,0,0]=3 1618 B5R0.1 COCC(=O)O M158057 [1,1,0,0,0,0|0,0,0]=2 1619 B5R0.1 CSCC(=O)N M158330 [1,1,0,0,0,0|1,0,0]=3 1620 B5R0.1 CSCC(=O)O M168970 [1,1,0,0,0,0|0,0,0]=2 1621 B5R0.1 CSCS(=O)C M158415 [1,1,0,0,0,0|2,0,0]=4 1622 B5R0.3 C(=O)(NN)NO N492071 [1,1,0,0,0,0|2,0,0]=4 1623 B5R0.3 C(=O)C(C=O)Br B122442 [1,1,0,0,0,0|1,0,1]=4 1624 B5R0.3 C(C(=O)CBr)Br D139292 [1,1,0,0,0,0|2,0,0]=4 1625 B5R0.3 C(C(=O)NN)O H192943 [1,1,0,0,0,0|1,0,0]=3 1626 B5R0.3 C(C(C=O)O)O D134978 [1,1,0,0,0,0|0,0,0]=2 1627 B5R0.3 C(C(C=O)O)O D589509 [1,1,0,0,0,0|0,0,0]=2 1628 B5R0.3 C(C(C=O)O)O S138916 [1,1,0,0,0,0|0,0,0]=2 1629 B5R0.3 C(C(CBr)Br)O D154495 [1,1,0,0,0,0|1,0,1]=4 1630 B5R0.3 C(C(CBr)O)Br D100260 [1,1,0,0,0,0|1,0,1]=4 1631 B5R0.3 C(C(CBr)O)O B133715 [1,1,0,0,0,0|0,0,1]=3 1632 B5R0.3 C(C(CCl)Cl)O D154496 [1,1,0,0,0,0|1,0,1]=4 1633 B5R0.3 C(C(CCl)O)Cl D110862 [1,1,0,0,0,0|1,0,1]=4 1634 B5R0.3 C(C(CCl)O)Cl D110863 [1,1,0,0,0,0|1,0,1]=4 1635 B5R0.3 C(C(CCl)O)Cl D357372 [1,1,0,0,0,0|1,0,1]=4 1636 B5R0.3 C(C(CCl)O)N S192900 [1,1,0,0,0,0|1,0,1]=4 1637 B5R0.3 C(C(CCl)O)O C106058 [1,1,0,0,0,0|0,0,1]=3 1638 B5R0.3 C(C(CCl)O)O C106059 [1,1,0,0,0,0|0,0,1]=3 1639 B5R0.3 C(C(CCl)O)O C356973 [1,1,0,0,0,0|0,0,1]=3 1640 B5R0.3 C(C(CF)O)F D170430 [1,1,0,0,0,0|1,0,1]=4 1641 B5R0.3 C(C(CN)O)N D121823 [1,1,0,0,0,0|1,0,1]=4 1642 B5R0.3 C(C(CO)N)O A100952 [1,1,0,0,0,0|1,0,1]=4 1643 B5R0.3 C(C(CO)N)O A101351 [1,1,0,0,0,0|1,0,1]=4 1644 B5R0.3 C(C(CO)O)N A101946 [1,1,0,0,0,0|0,0,1]=3 1645 B5R0.3 C(C(CO)O)N A103187 [1,1,0,0,0,0|0,0,1]=3 1646 B5R0.3 C(C(CO)O)N A107504 [1,1,0,0,0,0|0,0,1]=3 1647 B5R0.3 C(C(CO)O)O G116202 [1,1,0,0,0,0|0,0,1]=3 1648 B5R0.3 C(C(CO)O)O G116203 [1,1,0,0,0,0|0,0,1]=3 1649 B5R0.3 C(C(CO)O)O G116205 [1,1,0,0,0,0|0,0,1]=3 1650 B5R0.3 C(C(CO)O)O G116206 [1,1,0,0,0,0|0,0,1]=3 1651 B5R0.3 C(C(CO)O)O G116208 [1,1,0,0,0,0|0,0,1]=3 1652 B5R0.3 C(C(CO)O)O G116209 [1,1,0,0,0,0|0,0,1]=3 1653 B5R0.3 C(C(CO)O)O G116213 [1,1,0,0,0,0|0,0,1]=3 1654 B5R0.3 C(C(CO)O)O G116214 [1,1,0,0,0,0|0,0,1]=3 1655 B5R0.3 C(C(CO)O)O G116215 [1,1,0,0,0,0|0,0,1]=3 1656 B5R0.3 C(C(CO)O)O G117555 [1,1,0,0,0,0|0,0,1]=3 1657 B5R0.3 C(C(CO)O)O G117556 [1,1,0,0,0,0|0,0,1]=3 1658 B5R0.3 C(C(CO)O)O G294877 [1,1,0,0,0,0|0,0,1]=3 1659 B5R0.3 C(C(CO)O)O G334451 [1,1,0,0,0,0|0,0,1]=3 1660 B5R0.3 C(C(CO)O)O G424796 [1,1,0,0,0,0|0,0,1]=3 1661 B5R0.3 C(C(CO)O)O G472031 [1,1,0,0,0,0|0,0,1]=3 1662 B5R0.3 C(C(CO)O)O G474157 [1,1,0,0,0,0|0,0,1]=3 1663 B5R0.3 C(C(CS)O)O T109440 [1,1,0,0,0,0|0,0,1]=3 1664 B5R0.3 C(C(CS)O)O T109441 [1,1,0,0,0,0|0,0,1]=3 1665 B5R0.3 C(C(CS)O)O T109442 [1,1,0,0,0,0|0,0,1]=3 1666 B5R0.3 C(C(CS)O)O T141418 [1,1,0,0,0,0|0,0,1]=3 1667 B5R0.3 C(C(CS)S)O D106477 [1,1,0,0,0,0|0,1,1]=4 1668 B5R0.3 C(C(CS)S)O D424962 [1,1,0,0,0,0|0,1,1]=4 1669 B5R0.3 C=C(CO)CO M158762 [1,1,0,0,0,0|1,0,0]=3 1670 B5R0.3 C=CC(C=C)O P346741 [1,1,0,0,0,0|1,0,1]=4 1671 B5R0.3 C=CC(CCl)Cl D155424 [1,1,0,0,0,0|2,0,0]=4 1672 B5R0.3 C=CC(CO)O B589259 [1,1,0,0,0,0|1,0,0]=3 1673 B5R0.3 CC(C=C)C#N M158306 [1,1,0,0,0,0|2,0,0]=4 1674 B5R0.3 CC(CN)CO A483603 [1,1,0,0,0,0|1,0,1]=4 1675 B5R0.3 CC(CO)CBr R469876 [1,1,0,0,0,0|1,0,1]=4 1676 B5R0.3 CC(CO)CBr S469920 [1,1,0,0,0,0|1,0,1]=4 1677 B5R0.3 CC(CO)CO M141411 [1,1,0,0,0,0|0,0,1]=3 1678 B5R0.3 CC(CO)OC R194193 [1,1,0,0,0,0|0,0,1]=3 1679 B5R0.3 CC(OC)OC D155919 [1,1,0,0,0,0|2,0,0]=4 1680 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|1,0,1]=4 1681 B5R0.3 CCC(=C)C=O E189230 [1,1,0,0,0,0|1,0,0]=3 1682 B5R0.3 CCC(=C)CC E156179 [1,1,0,0,0,0|2,0,0]=4 1683 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|2,0,0]=4 1684 B5R0.3 CCC(=NO)C B105233 [1,1,0,0,0,0|1,0,0]=3 1685 B5R0.3 CCC(=NO)N P138620 [1,1,0,0,0,0|1,0,0]=3 1686 B5R0.3 CCC(=O)CC P103791 [1,1,0,0,0,0|1,0,0]=3 1687 B5R0.3 CCC(=O)CC P103792 [1,1,0,0,0,0|1,0,0]=3 1688 B5R0.3 CCC(=O)CC P103794 [1,1,0,0,0,0|1,0,0]=3 1689 B5R0.3 CCC(=O)CO H193640 [1,1,0,0,0,0|0,0,0]=2 1690 B5R0.3 CCC(=O)NC N159394 [1,1,0,0,0,0|1,0,0]=3 1691 B5R0.3 CCC(=O)NN P342062 [1,1,0,0,0,0|1,0,0]=3 1692 B5R0.3 CCC(=O)OC M110420 [1,1,0,0,0,0|0,0,0]=2 1693 B5R0.3 CCC(=O)OC M110421 [1,1,0,0,0,0|0,0,0]=2 1694 B5R0.3 CCC(=O)OC M110422 [1,1,0,0,0,0|0,0,0]=2 1695 B5R0.3 CCC(=O)OC M491732 [1,1,0,0,0,0|0,0,0]=2 1696 B5R0.3 CCC(=O)SC S404755 [1,1,0,0,0,0|0,1,0]=3 1697 B5R0.3 CCC(C#C)O P138822 [1,1,0,0,0,0|1,0,1]=4 1698 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|2,0,0]=4 1699 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|1,0,0]=3 1700 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|1,0,1]=4 1701 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|1,0,1]=4 1702 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|1,0,1]=4 1703 B5R0.3 CCC(C=C)O P160532 [1,1,0,0,0,0|1,0,0]=3 1704 B5R0.3 CCC(CBr)O B152045 [1,1,0,0,0,0|1,0,1]=4 1705 B5R0.3 CCC(CC)O P109359 [1,1,0,0,0,0|1,0,1]=4 1706 B5R0.3 CCC(CN)O A151121 [1,1,0,0,0,0|1,0,1]=4 1707 B5R0.3 CCC(CO)N A106025 [1,1,0,0,0,0|1,0,1]=4 1708 B5R0.3 CCC(CO)N A107264 [1,1,0,0,0,0|1,0,1]=4 1709 B5R0.3 CCC(CO)N A107265 [1,1,0,0,0,0|1,0,1]=4 1710 B5R0.3 CCC(CO)O B153217 [1,1,0,0,0,0|0,0,1]=3 1711 B5R0.3 CCC(CO)O B300651 [1,1,0,0,0,0|0,0,1]=3 1712 B5R0.3 CCC(CO)O R160952 [1,1,0,0,0,0|0,0,1]=3 1713 B5R0.3 CCC(CO)O S161003 [1,1,0,0,0,0|0,0,1]=3 1714 B5R0.3 CCN(C)N=O N114391 [1,1,0,0,0,0|2,0,0]=4 1715 B5R0.3 CCN(CC)O D109383 [1,1,0,0,0,0|2,0,0]=4 1716 B5R0.3 CCN(CC)O N432573 [1,1,0,0,0,0|2,0,0]=4 1717 B5R0.3 CCS(=O)CC E589941 [1,1,0,0,0,0|2,0,0]=4 1718 B5R0.3 CC[P+](=O)CC D332476 [1,1,0,0,0,0|2,0,0]=4 1719 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|1,0,0]=3 1720 B5R0.3 CNC(=O)C=C N189941 [1,1,0,0,0,0|2,0,0]=4 1721 B5R0.3 CNC(=O)CBr B588815 [1,1,0,0,0,0|2,0,0]=4 1722 B5R0.3 CNC(=O)CCl C124467 [1,1,0,0,0,0|2,0,0]=4 1723 B5R0.3 CNC(=O)CN A182951 [1,1,0,0,0,0|2,0,0]=4 1724 B5R0.3 CNC(=O)CS M124593 [1,1,0,0,0,0|1,1,0]=4 1725 B5R0.3 CNC(=O)NC D104702 [1,1,0,0,0,0|2,0,0]=4 1726 B5R0.3 COC(=O)C#C M106792 [1,1,0,0,0,0|0,0,2]=4 1727 B5R0.3 COC(=O)C=C M100029 [1,1,0,0,0,0|0,0,2]=4 1728 B5R0.3 COC(=O)C=C M100030 [1,1,0,0,0,0|0,0,2]=4 1729 B5R0.3 COC(=O)C=C M100032 [1,1,0,0,0,0|0,0,2]=4 1730 B5R0.3 COC(=O)C=C M100033 [1,1,0,0,0,0|0,0,2]=4 1731 B5R0.3 COC(=O)CBr M106900 [1,1,0,0,0,0|1,0,0]=3 1732 B5R0.3 COC(=O)CCl M104120 [1,1,0,0,0,0|1,0,0]=3 1733 B5R0.3 COC(=O)CCl M104121 [1,1,0,0,0,0|1,0,0]=3 1734 B5R0.3 COC(=O)CCl M305846 [1,1,0,0,0,0|1,0,0]=3 1735 B5R0.3 COC(=O)CN G105475 [1,1,0,0,0,0|1,0,0]=3 1736 B5R0.3 COC(=O)CO M101718 [1,1,0,0,0,0|0,0,0]=2 1737 B5R0.3 COC(=O)CS M103140 [1,1,0,0,0,0|0,1,0]=3 1738 B5R0.3 COC(=O)NN M106002 [1,1,0,0,0,0|2,0,0]=4 1739 B5R0.3 COC(=O)OC D110623 [1,1,0,0,0,0|1,0,0]=3 1740 B5R0.3 COC(=O)OC D110625 [1,1,0,0,0,0|1,0,0]=3 1741 B5R0.3 COC(=O)OC D119695 [1,1,0,0,0,0|1,0,0]=3 1742 B5R0.3 COC(=O)OC D294884 [1,1,0,0,0,0|1,0,0]=3 1743 B5R0.3 COC(=O)OC D433121 [1,1,0,0,0,0|1,0,0]=3 1744 B5R0.3 COC(=O)OC D433122 [1,1,0,0,0,0|1,0,0]=3 1745 B5R0.3 COC(=O)OC D433123 [1,1,0,0,0,0|1,0,0]=3 1746 B5R0.3 COS(=O)OC D106795 [1,1,0,0,0,0|2,0,0]=4 1747 B5R0.3 CO[P+](=O)OC D304802 [1,1,0,0,0,0|2,0,0]=4 1748 B5R0.4 C(=O)C(Br)(Br)Br B151878 [1,1,0,0,0,0|2,0,0]=4 1749 B5R0.4 C(=O)C(Cl)(Br)Br C388500 [1,1,0,0,0,0|2,0,0]=4 1750 B5R0.4 C(=O)C(Cl)(Cl)Cl C154049 [1,1,0,0,0,0|2,0,0]=4 1751 B5R0.4 C(N)P(=O)(O)O A151006 [1,1,0,0,0,0|2,0,0]=4 1752 B5R0.4 C(N)S(=O)(=O)O A101252 [1,1,0,0,0,0|2,0,0]=4 1753 B5R0.4 C(O)S(=O)(=O)[O-] F121963 [1,1,0,0,0,0|1,0,1]=4 1754 B5R0.4 C(O)S(=O)(=O)[O-] F156629 [1,1,0,0,0,0|1,0,1]=4 1755 B5R0.4 C(P(=O)(O)O)Cl C353112 [1,1,0,0,0,0|2,0,0]=4 1756 B5R0.4 CC(C)(C#C)O M107736 [1,1,0,0,0,0|1,0,1]=4 1757 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|2,0,0]=4 1758 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|1,0,0]=3 1759 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|1,0,0]=3 1760 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|1,0,1]=4 1761 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|2,0,0]=4 1762 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|2,0,0]=4 1763 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|2,0,0]=4 1764 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|2,0,0]=4 1765 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|1,0,0]=3 1766 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|1,0,1]=4 1767 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|1,0,1]=4 1768 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|1,0,1]=4 1769 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|1,0,1]=4 1770 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|1,0,1]=4 1771 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|1,0,1]=4 1772 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|0,0,1]=3 1773 B5R0.4 CC(CO)(F)F D169652 [1,1,0,0,0,0|1,0,1]=4 1774 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|1,0,1]=4 1775 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|1,0,1]=4 1776 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|1,0,1]=4 1777 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|1,0,1]=4 1778 B5R0.4 CCS(=O)(=O)C E156277 [1,1,0,0,0,0|1,0,1]=4 1779 B5R0.4 CCS(=O)(=O)Cl E136203 [1,1,0,0,0,0|1,0,1]=4 1780 B5R0.4 CCS(=O)(=O)F E467402 [1,1,0,0,0,0|1,0,1]=4 1781 B5R0.4 CCS(=O)(=O)N E181678 [1,1,0,0,0,0|1,0,1]=4 1782 B5R0.4 CCS(=O)(=O)O E113372 [1,1,0,0,0,0|1,0,0]=3 1783 B5R0.4 CCS(=O)(=O)[O-] S161149 [1,1,0,0,0,0|1,0,1]=4 1784 B5R0.4 CNS(=O)(=O)O M158775 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,1,0,0,0,1|0,0,0]=2 1786 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,1,0,0,0,1|1,0,0]=3 1787 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,1,0,0,0,1|1,0,0]=3 1788 B7R0.2 CC(=CC(=O)OC)C M102001 [0,1,0,0,0,1|1,0,1]=4 1789 B7R0.2 CC(=CC(=O)OC)N A102015 [0,1,0,0,0,1|1,0,1]=4 1790 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,1,0,0,0,1|1,0,1]=4 1791 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,1,0,0,0,1|1,0,1]=4 1792 B7R0.2 CC(=O)CC(=O)OC M108598 [0,1,0,0,0,1|0,0,2]=4 1793 B7R0.2 CC(=O)CC(=O)OC M108599 [0,1,0,0,0,1|0,0,2]=4 1794 B7R0.2 CC(=O)CC(=O)OC M108601 [0,1,0,0,0,1|0,0,2]=4 1795 B7R0.2 CC(C)CC(=NO)C M302141 [0,1,0,0,0,1|2,0,0]=4 1796 B7R0.2 CC(C)CC(=O)OC M157988 [0,1,0,0,0,1|1,0,0]=3 1797 B7R0.2 CC(C)NC(=O)C=C I106818 [0,1,0,0,0,1|2,0,0]=4 1798 B7R0.2 CC(C)NC(=O)C=C P303215 [0,1,0,0,0,1|2,0,0]=4 1799 B7R0.2 CC(C)NC(=O)C=C P432408 [0,1,0,0,0,1|2,0,0]=4 1800 B7R0.2 CC(C)NC(=O)CBr B194928 [0,1,0,0,0,1|2,0,0]=4 1801 B7R0.2 CC(C)OC(=O)C=C I589892 [0,1,0,0,0,1|2,0,0]=4 1802 B7R0.2 CC(C)OC(=O)CCl I157694 [0,1,0,0,0,1|2,0,0]=4 1803 B7R0.2 CC(CC(=O)OC)N R190811 [0,1,0,0,0,1|1,0,0]=3 1804 B7R0.2 CC(CC(=O)OC)N S587134 [0,1,0,0,0,1|1,0,0]=3 1805 B7R0.2 CC(CC(=O)OC)O H124084 [0,1,0,0,0,1|0,0,0]=2 1806 B7R0.2 CC(CC(=O)OC)O H124101 [0,1,0,0,0,1|0,0,0]=2 1807 B7R0.2 CCC(=O)CC(C)C E156458 [0,1,0,0,0,1|2,0,0]=4 1808 B7R0.2 CCC(=O)OC(C)C I157496 [0,1,0,0,0,1|2,0,0]=4 1809 B7R0.2 CCC(C)CC(=O)O M109883 [0,1,0,0,0,1|1,0,0]=3 1810 B7R0.2 CCC(C)OC(=O)C B108576 [0,1,0,0,0,1|2,0,0]=4 1811 B7R0.2 CCC(C)OC(=O)C B108578 [0,1,0,0,0,1|2,0,0]=4 1812 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,1,0,0,0,1|2,0,0]=4 1813 B7R0.2 CCC(CC(=O)O)N A191758 [0,1,0,0,0,1|1,0,0]=3 1814 B7R0.2 CCC(CC(=O)O)N I167296 [0,1,0,0,0,1|1,0,0]=3 1815 B7R0.2 CN(C)CC(=O)OC N304465 [0,1,0,0,0,1|2,0,0]=4 1816 B7R0.2 COC(=O)CC(=O)O M132669 [0,1,0,0,0,1|0,0,2]=4 1817 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,1,0,0,0,1|0,0,2]=4 1818 B7R0.9 C(C(=O)O)C(F)(F)F T162557 [0,1,0,0,0,1|2,0,0]=4 1819 B7R0.9 C(C(=O)O)P(=O)(O)O P344747 [0,1,0,0,0,1|2,0,0]=4 1820 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,1,0,0,0,1|2,0,0]=4 1821 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,1,0,0,0,1|2,0,0]=4 1822 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,1,0,0,0,1|1,0,0]=3 1823 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,1,0,0,0,1|1,0,0]=3 1824 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,1,0,0,0,1|1,0,0]=3 1825 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,1,0,0,0,1|1,0,0]=3 1826 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,1,0,0,0,1|1,1,0]=4 1827 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,1,0,0,0,1|2,0,0]=4 1828 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,1,0,0,0,1|2,0,0]=4 1829 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,1,0,0,0,1|1,0,0]=3 1830 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,1,0,0,0,1|2,0,0]=4 1831 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,1,0,0,0,1|0,0,0]=2 1832 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,1,0,0,0,1|0,0,1]=3 1833 B7R0.9 CC(CC(C)(C)O)O M108565 [0,1,0,0,0,1|1,0,1]=4 1834 B7R0.9 CC(CC(C)(C)O)O M420527 [0,1,0,0,0,1|1,0,1]=4 1835 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [0,1,0,0,0,1|1,0,1]=4 1836 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,1,0,0,0,1|2,0,0]=4 1837 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,1,0,0,0,1|2,0,0]=4 1838 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,1,0,0,0,1|1,1,0]=4 1839 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,1,0,0,0,1|1,0,1]=4 1840 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,1,0,0,0,1|1,0,1]=4 1841 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,1,0,0,0,1|1,0,1]=4 1842 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,1,0,0,0,1|1,0,0]=3 1843 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,1,0,0,0,1|0,0,0]=2 1844 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,1,0,0,0,1|0,0,0]=2 1845 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,1,0,0,0,1|0,0,0]=2 1846 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,1,0,0,0,1|0,0,0]=2 1847 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,1,0,0,0,1|0,0,0]=2 1848 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,1,0,0,0,1|0,0,0]=2 1849 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,1,0,0,0,1|0,0,0]=2 1850 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,1,0,0,0,1|0,0,0]=2 1851 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,1,0,0,0,1|0,0,0]=2 1852 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,1,0,0,0,1|1,0,0]=3 1853 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,1,0,0,0,1|1,0,0]=3 1854 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,1,0,0,0,1|1,0,1]=4 1855 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,1,0,0,0,1|1,0,1]=4 1856 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,1,0,0,0,1|1,0,1]=4 1857 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,1,0,0,0,1|2,0,0]=4 1858 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,1,0,0,0,1|2,0,0]=4 1859 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,1,0,0,0,1|1,0,0]=3 1860 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,1,0,0,0,1|1,0,0]=3 1861 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,1,0,0,0,1|1,0,0]=3 1862 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,1,0,0,0,1|1,0,0]=3 1863 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,1,0,0,0,1|1,0,0]=3 1864 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,1,0,0,0,1|1,0,0]=3 1865 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,1,0,0,0,1|1,0,0]=3 1866 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,1,0,0,0,1|1,0,0]=3 1867 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,1,0,0,0,1|1,0,0]=3 1868 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,1,0,0,0,1|1,0,0]=3 1869 B7R0.5 C#CCC(C(=O)O)N D133969 [0,2,0,0,0,0|1,0,0]=3 1870 B7R0.5 C#CCC(C(=O)O)N R192202 [0,2,0,0,0,0|1,0,0]=3 1871 B7R0.5 C#CCC(C(=O)O)N R304808 [0,2,0,0,0,0|1,0,0]=3 1872 B7R0.5 C#CCC(C(=O)O)N S168837 [0,2,0,0,0,0|1,0,0]=3 1873 B7R0.5 C(CBr)C(C(=O)O)N A101191 [0,2,0,0,0,0|1,0,0]=3 1874 B7R0.5 C(CN)C(C(=O)O)N D102446 [0,2,0,0,0,0|1,0,0]=3 1875 B7R0.5 C(CN)C(C(=O)O)N D113499 [0,2,0,0,0,0|1,0,0]=3 1876 B7R0.5 C(CN)C(C(=O)O)N D117019 [0,2,0,0,0,0|1,0,0]=3 1877 B7R0.5 C(CN)C(C(=O)O)O H181248 [0,2,0,0,0,0|0,0,0]=2 1878 B7R0.5 C(CN)C(C(=O)O)O S161042 [0,2,0,0,0,0|0,0,0]=2 1879 B7R0.5 C(CO)C(C(=O)O)N H100541 [0,2,0,0,0,0|1,0,0]=3 1880 B7R0.5 C(CO)C(C(=O)O)N H101557 [0,2,0,0,0,0|1,0,0]=3 1881 B7R0.5 C(CO)C(C(=O)O)N H105430 [0,2,0,0,0,0|1,0,0]=3 1882 B7R0.5 C(CO)C(C(=O)O)N L425384 [0,2,0,0,0,0|1,0,0]=3 1883 B7R0.5 C(CS)C(C(=O)O)N H106297 [0,2,0,0,0,0|1,0,0]=3 1884 B7R0.5 C(CS)C(C(=O)O)N L134501 [0,2,0,0,0,0|1,0,0]=3 1885 B7R0.5 C=CCC(C(=O)O)N A115225 [0,2,0,0,0,0|1,0,0]=3 1886 B7R0.5 C=CCC(C(=O)O)N D101189 [0,2,0,0,0,0|1,0,0]=3 1887 B7R0.5 C=CCC(C(=O)O)N D107871 [0,2,0,0,0,0|1,0,0]=3 1888 B7R0.5 C=CCC(C(=O)O)N S101123 [0,2,0,0,0,0|1,0,0]=3 1889 B7R0.5 C=CCC(C(=O)O)N S161223 [0,2,0,0,0,0|1,0,0]=3 1890 B7R0.5 CC(=C)C(=O)NCO N404587 [0,2,0,0,0,0|1,0,1]=4 1891 B7R0.5 CC(=C)C(=O)OC=C V162960 [0,2,0,0,0,0|1,0,1]=4 1892 B7R0.5 CC(=O)N(C)CCO N167555 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.5 CC(C(=O)O)N=[N+]=[N-] I166546 [0,2,0,0,0,0|1,0,0]=3 1894 B7R0.5 CC(C(=O)O)NC=O N159048 [0,2,0,0,0,0|0,0,1]=3 1895 B7R0.5 CC(CC=C)C(=O)O M111848 [0,2,0,0,0,0|1,0,0]=3 1896 B7R0.5 CCC=C(C)C(=O)O M102542 [0,2,0,0,0,0|1,0,1]=4 1897 B7R0.5 CCC=C(C)C(=O)O M107371 [0,2,0,0,0,0|1,0,1]=4 1898 B7R0.5 CCCC(=O)C(=O)O O159954 [0,2,0,0,0,0|0,0,2]=4 1899 B7R0.5 CCCC(C(=O)O)Br B152768 [0,2,0,0,0,0|1,0,0]=3 1900 B7R0.5 CCCC(C(=O)O)N N100542 [0,2,0,0,0,0|1,0,0]=3 1901 B7R0.5 CCCC(C(=O)O)N N106191 [0,2,0,0,0,0|1,0,0]=3 1902 B7R0.5 CCCC(C(=O)O)N N106215 [0,2,0,0,0,0|1,0,0]=3 1903 B7R0.5 CCCC(C(=O)O)O S193305 [0,2,0,0,0,0|0,0,0]=2 1904 B7R0.5 CCCC(C(=O)[O-])O B301319 [0,2,0,0,0,0|0,0,1]=3 1905 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|2,0,0]=4 1906 B7R0.5 CCCC(C)C(=O)O B300596 [0,2,0,0,0,0|1,0,0]=3 1907 B7R0.5 CCCC(C)C(=O)O M117868 [0,2,0,0,0,0|1,0,0]=3 1908 B7R0.5 CCCC(C)C(=O)O M427193 [0,2,0,0,0,0|1,0,0]=3 1909 B7R0.5 CCOC(=O)C(=C)C E103001 [0,2,0,0,0,0|1,0,1]=4 1910 B7R0.5 CCOC(=O)C(=C)C E103002 [0,2,0,0,0,0|1,0,1]=4 1911 B7R0.5 CCOC(=O)C(=C)C E492609 [0,2,0,0,0,0|1,0,1]=4 1912 B7R0.5 CCOC(=O)C(=O)C E113332 [0,2,0,0,0,0|0,0,2]=4 1913 B7R0.5 CCOC(=O)C(Br)Br E331036 [0,2,0,0,0,0|2,0,0]=4 1914 B7R0.5 CCOC(=O)C(C)Br E106089 [0,2,0,0,0,0|1,0,0]=3 1915 B7R0.5 CCOC(=O)C(C)Br E400066 [0,2,0,0,0,0|1,0,0]=3 1916 B7R0.5 CCOC(=O)C(C)C E156123 [0,2,0,0,0,0|1,0,0]=3 1917 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,2,0,0,0,0|1,0,0]=3 1918 B7R0.5 CCOC(=O)C(C)F E135615 [0,2,0,0,0,0|1,0,0]=3 1919 B7R0.5 CCOC(=O)C(C)I E156364 [0,2,0,0,0,0|1,0,0]=3 1920 B7R0.5 CCOC(=O)C(C)N A109010 [0,2,0,0,0,0|1,0,0]=3 1921 B7R0.5 CCOC(=O)C(C)N A117183 [0,2,0,0,0,0|1,0,0]=3 1922 B7R0.5 CCOC(=O)C(C)N D304158 [0,2,0,0,0,0|1,0,0]=3 1923 B7R0.5 CCOC(=O)C(C)O E104551 [0,2,0,0,0,0|0,0,0]=2 1924 B7R0.5 CCOC(=O)C(C)O E104553 [0,2,0,0,0,0|0,0,0]=2 1925 B7R0.5 CCOC(=O)C(C)O E104554 [0,2,0,0,0,0|0,0,0]=2 1926 B7R0.5 CCOC(=O)C(C)O E108228 [0,2,0,0,0,0|0,0,0]=2 1927 B7R0.5 CCOC(=O)C(C)O E108230 [0,2,0,0,0,0|0,0,0]=2 1928 B7R0.5 CCOC(=O)C(C)O E465744 [0,2,0,0,0,0|0,0,0]=2 1929 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|0,1,0]=3 1930 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [0,2,0,0,0,0|2,0,0]=4 1931 B7R0.5 CCOC(=O)C(F)Br E102105 [0,2,0,0,0,0|2,0,0]=4 1932 B7R0.5 CCOC(=O)C(F)Cl E138797 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.5 CCOC(=O)C(F)F E101733 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.5 CCOC(=O)C(F)F E616466 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.5 CCOC(=O)C(F)I E331038 [0,2,0,0,0,0|2,0,0]=4 1936 B7R0.5 CCSC(C)C(=O)O E168418 [0,2,0,0,0,0|0,1,0]=3 1937 B7R0.5 CN(C)C(=O)COC M589066 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.5 CNCC(C(=O)O)N S132658 [0,2,0,0,0,0|1,0,0]=3 1939 B7R0.5 COCC(C(=O)O)Cl C133763 [0,2,0,0,0,0|1,0,0]=3 1940 B7R0.5 COCC(C(=O)O)N S135785 [0,2,0,0,0,0|1,0,0]=3 1941 B7R0.5 CSCC(C(=O)O)N M116973 [0,2,0,0,0,0|1,0,0]=3 1942 B7R0.5 C[Se]CC(C(=O)O)N S161277 [0,2,0,0,0,0|1,0,0]=3 1943 B7R0.10 C(C(C(C=O)O)O)O E120857 [0,2,0,0,0,0|0,0,1]=3 1944 B7R0.10 C(C(C(CBr)O)O)Br W131889 [0,2,0,0,0,0|1,0,1]=4 1945 B7R0.10 C(C(C(CO)O)O)O E105712 [0,2,0,0,0,0|0,0,2]=4 1946 B7R0.10 C(C(C(CO)O)O)O M421753 [0,2,0,0,0,0|0,0,2]=4 1947 B7R0.10 C(C(C(CO)O)O)O S136137 [0,2,0,0,0,0|0,0,2]=4 1948 B7R0.10 C(C(C(CO)O)O)O S161038 [0,2,0,0,0,0|0,0,2]=4 1949 B7R0.10 C(C(C(CS)O)O)S D104859 [0,2,0,0,0,0|0,1,1]=4 1950 B7R0.10 C(C(C(CS)O)O)S D104860 [0,2,0,0,0,0|0,1,1]=4 1951 B7R0.10 C(C(C(CS)O)O)S D104861 [0,2,0,0,0,0|0,1,1]=4 1952 B7R0.10 C(C(C(CS)O)O)S D105710 [0,2,0,0,0,0|0,1,1]=4 1953 B7R0.10 C(C(C(CS)O)O)S D105711 [0,2,0,0,0,0|0,1,1]=4 1954 B7R0.10 C(C(C(CS)O)O)S D121076 [0,2,0,0,0,0|0,1,1]=4 1955 B7R0.10 C(C(C(CS)O)O)S D265376 [0,2,0,0,0,0|0,1,1]=4 1956 B7R0.10 C(C(C(CS)O)O)S D423542 [0,2,0,0,0,0|0,1,1]=4 1957 B7R0.10 CC(=NO)C(=NO)C C405555 [0,2,0,0,0,0|1,0,1]=4 1958 B7R0.10 CC(=NO)C(=NO)C D111833 [0,2,0,0,0,0|1,0,1]=4 1959 B7R0.10 CC(=NO)C(=NO)C D111834 [0,2,0,0,0,0|1,0,1]=4 1960 B7R0.10 CC(=NO)C(=NO)C D404386 [0,2,0,0,0,0|1,0,1]=4 1961 B7R0.10 CC(C(=O)OC)NC S587983 [0,2,0,0,0,0|1,0,0]=3 1962 B7R0.10 CC(CBr)C(=O)OC M158847 [0,2,0,0,0,0|1,0,0]=3 1963 B7R0.10 CC(CBr)C(=O)OC M409449 [0,2,0,0,0,0|1,0,0]=3 1964 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|0,0,0]=2 1965 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|0,0,0]=2 1966 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|0,0,0]=2 1967 B7R0.10 CC=C(C)C(=O)OC M158196 [0,2,0,0,0,0|1,0,1]=4 1968 B7R0.10 CCC(=O)N(C)OC N404710 [0,2,0,0,0,0|2,0,0]=4 1969 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|1,0,0]=3 1970 B7R0.10 CCC(C(=O)OC)Br M110203 [0,2,0,0,0,0|1,0,0]=3 1971 B7R0.10 CCC(C(=O)OC)N D134538 [0,2,0,0,0,0|1,0,0]=3 1972 B7R0.10 CCC(C(=O)OC)N S304011 [0,2,0,0,0,0|1,0,0]=3 1973 B7R0.10 CCC(C(=O)OC)O M588620 [0,2,0,0,0,0|0,0,0]=2 1974 B7R0.10 CCC(C(=O)OC)O M590030 [0,2,0,0,0,0|0,0,0]=2 1975 B7R0.10 CCC(C(=O)OC)O R590029 [0,2,0,0,0,0|0,0,0]=2 1976 B7R0.10 CCC(C)C(=O)OC M157989 [0,2,0,0,0,0|1,0,0]=3 1977 B7R0.10 CN(C(=O)CCl)OC C124448 [0,2,0,0,0,0|2,0,0]=4 1978 B7R0.10 COC(=O)C(=C)CBr M138825 [0,2,0,0,0,0|1,0,1]=4 1979 B7R0.10 COC(=O)C(=C)CO M167537 [0,2,0,0,0,0|0,0,2]=4 1980 B7R0.10 COC(=O)C(=O)CBr M572938 [0,2,0,0,0,0|0,0,2]=4 1981 B7R0.10 COC(=O)C(=O)OC D103008 [0,2,0,0,0,0|0,0,2]=4 1982 B7R0.10 COC(=O)C(=O)OC D103009 [0,2,0,0,0,0|0,0,2]=4 1983 B7R0.10 COC(=O)C(CBr)Br M167887 [0,2,0,0,0,0|1,0,0]=3 1984 B7R0.10 COC(=O)C(CCl)Cl M121841 [0,2,0,0,0,0|1,0,0]=3 1985 B7R0.10 COC(=O)C(CCl)N M588771 [0,2,0,0,0,0|1,0,0]=3 1986 B7R0.10 COC(=O)C(CCl)N S134256 [0,2,0,0,0,0|1,0,0]=3 1987 B7R0.10 COC(=O)C(CO)N S101064 [0,2,0,0,0,0|1,0,0]=3 1988 B7R0.10 COC(=O)C(CO)N S109008 [0,2,0,0,0,0|1,0,0]=3 1989 B7R0.10 COC(=O)C(CO)N S117181 [0,2,0,0,0,0|1,0,0]=3 1990 B7R0.10 COC(=O)C(CO)O R587787 [0,2,0,0,0,0|0,0,0]=2 1991 B7R0.10 COC(=O)C(CO)O S178884 [0,2,0,0,0,0|0,0,0]=2 1992 B7R0.10 COC(=O)C(CS)N C105474 [0,2,0,0,0,0|1,0,0]=3 1993 B7R0.10 COC(=O)C(CS)N S133993 [0,2,0,0,0,0|1,0,0]=3 1994 B7R0.13 CC(C)(C#N)C(=O)O C483479 [0,2,0,0,0,0|1,0,0]=3 1995 B7R0.13 CC(C)(C(=O)O)NC M464376 [0,2,0,0,0,0|1,0,0]=3 1996 B7R0.13 CC(C)(CCl)C(=O)Cl C108717 [0,2,0,0,0,0|2,0,0]=4 1997 B7R0.13 CC(C)(CCl)C(=O)O C153460 [0,2,0,0,0,0|1,0,0]=3 1998 B7R0.13 CC(C)(CF)C(=O)O F194366 [0,2,0,0,0,0|1,0,0]=3 1999 B7R0.13 CC(C)(CN)C(=O)N A176132 [0,2,0,0,0,0|2,0,0]=4 2000 B7R0.13 CC(C)(CO)C(=O)O H138895 [0,2,0,0,0,0|0,0,0]=2 2001 B7R0.13 CC(C)(CO)[N+](=O)[O-] M158750 [0,2,0,0,0,0|1,0,1]=4 2002 B7R0.13 CC(CBr)(C(=O)O)O R160936 [0,2,0,0,0,0|0,0,0]=2 2003 B7R0.13 CC(CO)(C(=O)O)N A118304 [0,2,0,0,0,0|0,0,0]=2 2004 B7R0.13 CCC(C(=O)O)(F)F D168890 [0,2,0,0,0,0|1,0,0]=3 2005 B7R0.13 CCC(C)(C(=O)O)N H353441 [0,2,0,0,0,0|1,0,0]=3 2006 B7R0.13 CCC(C)(C(=O)O)N I118303 [0,2,0,0,0,0|1,0,0]=3 2007 B7R0.13 CCC(C)(C(=O)O)O H133323 [0,2,0,0,0,0|0,0,0]=2 2008 B7R0.13 CCC(C)(C)C(=O)Cl D128094 [0,2,0,0,0,0|2,0,0]=4 2009 B7R0.13 CCC(C)(C)C(=O)O D102023 [0,2,0,0,0,0|1,0,0]=3 2010 B7R0.14 CC(=NO)C(C)(C)C P160247 [0,2,0,0,0,0|2,0,0]=4 2011 B7R0.14 CC(=NO)C(C)(C)O H156964 [0,2,0,0,0,0|1,0,0]=3 2012 B7R0.14 CC(C)(C(=O)OC)Br A134370 [0,2,0,0,0,0|1,0,0]=3 2013 B7R0.14 CC(C)(C(=O)OC)F M158843 [0,2,0,0,0,0|1,0,0]=3 2014 B7R0.14 CC(C)(C(=O)OC)N M132255 [0,2,0,0,0,0|1,0,0]=3 2015 B7R0.14 CC(C)(C(=O)OC)N M586992 [0,2,0,0,0,0|1,0,0]=3 2016 B7R0.14 CC(C)(C(=O)OC)O M100572 [0,2,0,0,0,0|0,0,0]=2 2017 B7R0.14 CC(C)(C)C(=O)CBr B135643 [0,2,0,0,0,0|2,0,0]=4 2018 B7R0.14 CC(C)(C)C(=O)CCl C153945 [0,2,0,0,0,0|2,0,0]=4 2019 B7R0.14 CC(C)(C)C(=O)NN D184496 [0,2,0,0,0,0|2,0,0]=4 2020 B7R0.14 CC(C)(C)C(=O)OC M157979 [0,2,0,0,0,0|1,0,0]=3 2021 B7R0.14 CC(C)(C)C(=O)ON O404965 [0,2,0,0,0,0|1,0,0]=3 2022 B7R0.14 COC(=O)C(Cl)(Cl)Cl M112702 [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.14 COC(=O)C(F)(F)Br M158795 [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.14 COC(=O)C(F)(F)Cl M102786 [0,2,0,0,0,0|2,0,0]=4 2025 B7R0.14 COC(=O)C(F)(F)F M111794 [0,2,0,0,0,0|2,0,0]=4 2026 B7R0.15 C(C(CBr)C(=O)O)Br B136320 [0,2,0,0,0,0|1,0,0]=3 2027 B7R0.15 C(C(CO)C(=O)O)N I166551 [0,2,0,0,0,0|0,0,0]=2 2028 B7R0.15 CC(=O)C(OC)OC P135662 [0,2,0,0,0,0|1,0,0]=3 2029 B7R0.15 CCC(CC)C(=O)Cl E469016 [0,2,0,0,0,0|2,0,0]=4 2030 B7R0.15 CCC(CC)C(=O)O E105668 [0,2,0,0,0,0|1,0,0]=3 2031 B7R0.15 CCC(CC)C(=O)O E105669 [0,2,0,0,0,0|1,0,0]=3 2032 B7R0.17 CC(C)(C(C)(C)O)O P104536 [0,2,0,0,0,0|1,0,1]=4 2033 B5R1.2 C1C(=O)CN1 A174998 [1,0,0,1,0,0|2,0,0]=4 2034 B5R1.2 C1C(=O)CO1 O129097 [1,0,0,1,0,0|1,0,0]=3 2035 B5R1.2 C1C(CN1)O H102085 [1,0,0,1,0,0|1,0,1]=4 2036 B5R1.2 C1C(CO1)Br B170097 [1,0,0,1,0,0|1,0,1]=4 2037 B5R1.2 C1C(CO1)I I134383 [1,0,0,1,0,0|1,0,1]=4 2038 B5R1.2 C1C(CO1)N O135359 [1,0,0,1,0,0|1,0,1]=4 2039 B5R1.2 C1C(CO1)N O589249 [1,0,0,1,0,0|1,0,1]=4 2040 B5R1.2 C1C(CO1)O H123582 [1,0,0,1,0,0|0,0,1]=3 2041 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|1,0,0]=3 2042 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|1,0,1]=4 2043 B5R1.2 C1CNC1=O A139449 [1,0,0,1,0,0|1,0,0]=3 2044 B5R1.2 C1COC1=O P109567 [1,0,0,1,0,0|0,0,0]=2 2045 B5R1.2 C=C1CCC1 M332850 [1,0,0,1,0,0|2,0,0]=4 2046 B5R1.3 C1C(O1)CCl E100521 [1,0,0,1,0,0|1,0,1]=4 2047 B5R1.3 C1C(O1)CCl E108181 [1,0,0,1,0,0|1,0,1]=4 2048 B5R1.3 C1C(O1)CCl E108182 [1,0,0,1,0,0|1,0,1]=4 2049 B5R1.3 C1C(O1)CCl E108184 [1,0,0,1,0,0|1,0,1]=4 2050 B5R1.3 C1C(O1)CCl E108185 [1,0,0,1,0,0|1,0,1]=4 2051 B5R1.3 C1C(O1)CCl E109298 [1,0,0,1,0,0|1,0,1]=4 2052 B5R1.3 C1C(O1)CCl E137334 [1,0,0,1,0,0|1,0,1]=4 2053 B5R1.3 C1C(O1)CCl E325686 [1,0,0,1,0,0|1,0,1]=4 2054 B5R1.3 C1C(O1)CCl E401255 [1,0,0,1,0,0|1,0,1]=4 2055 B5R1.3 C1C(O1)CF E352987 [1,0,0,1,0,0|1,0,1]=4 2056 B5R1.3 C1C(O1)CO G106989 [1,0,0,1,0,0|0,0,1]=3 2057 B5R1.3 C1C(O1)CO R119621 [1,0,0,1,0,0|0,0,1]=3 2058 B5R1.3 C1C(O1)CO S119620 [1,0,0,1,0,0|0,0,1]=3 2059 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|1,0,0]=3 2060 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|1,0,1]=4 2061 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|1,0,1]=4 2062 B5R1.3 C=CC1CO1 V100986 [1,0,0,1,0,0|1,0,0]=3 2063 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|1,0,1]=4 2064 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|1,0,1]=4 2065 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|1,0,1]=4 2066 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|1,0,1]=4 2067 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|1,0,1]=4 2068 B7R1.2 C1=CC(=O)OC1O H302820 [0,0,0,1,0,1|1,0,1]=4 2069 B7R1.2 C1C(=CC(=O)O1)O T103765 [0,0,0,1,0,1|0,0,1]=3 2070 B7R1.2 C1C(=O)COC1=O T101326 [0,0,0,1,0,1|0,0,2]=4 2071 B7R1.2 C1C(C=CC1=O)O H492879 [0,0,0,1,0,1|1,0,1]=4 2072 B7R1.2 C1C(CNC1=O)N A587603 [0,0,0,1,0,1|2,0,0]=4 2073 B7R1.2 C1C(CNC1=O)O H119311 [0,0,0,1,0,1|1,0,0]=3 2074 B7R1.2 C1C(CNC1=O)O H119312 [0,0,0,1,0,1|1,0,0]=3 2075 B7R1.2 C1C(CNC1=O)O H183207 [0,0,0,1,0,1|1,0,0]=3 2076 B7R1.2 C1C(COC1=O)N R189910 [0,0,0,1,0,1|1,0,0]=3 2077 B7R1.2 C1C(COC1=O)N S189909 [0,0,0,1,0,1|1,0,0]=3 2078 B7R1.2 C1C(COC1=O)O H107941 [0,0,0,1,0,1|0,0,0]=2 2079 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,0,0,1,0,1|1,0,0]=3 2080 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,0,0,1,0,1|1,0,0]=3 2081 B7R1.2 C1C(OC(=O)O1)F F120339 [0,0,0,1,0,1|1,0,0]=3 2082 B7R1.2 C1CC(CC1O)O C153245 [0,0,0,1,0,1|1,0,1]=4 2083 B7R1.2 CC1=CC(=O)NO1 BWY397355 [0,0,0,1,0,1|1,0,1]=4 2084 B7R1.2 CC1=CC(=O)NO1 BWY397369 [0,0,0,1,0,1|1,0,1]=4 2085 B7R1.2 CC1=CC(=O)NO1 BWY397380 [0,0,0,1,0,1|1,0,1]=4 2086 B7R1.2 CC1=CC(=O)NO1 H109938 [0,0,0,1,0,1|1,0,1]=4 2087 B7R1.2 CC1=CC(=O)NO1 H140830 [0,0,0,1,0,1|1,0,1]=4 2088 B7R1.2 CC1=CC(=O)OC1 M158202 [0,0,0,1,0,1|1,0,1]=4 2089 B7R1.2 CC1CCC(=O)C1 M113659 [0,0,0,1,0,1|2,0,0]=4 2090 B7R1.2 CC1CCC(=O)N1 M158429 [0,0,0,1,0,1|2,0,0]=4 2091 B7R1.2 CC1CCC(=O)O1 V106294 [0,0,0,1,0,1|2,0,0]=4 2092 B7R1.2 CC1COC(=O)O1 P105723 [0,0,0,1,0,1|1,0,0]=3 2093 B7R1.2 CC1COC(=O)O1 P105724 [0,0,0,1,0,1|1,0,0]=3 2094 B7R1.2 CC1COC(=O)O1 P105725 [0,0,0,1,0,1|1,0,0]=3 2095 B7R1.2 CC1COC(=O)O1 P105726 [0,0,0,1,0,1|1,0,0]=3 2096 B7R1.2 CC1COC(=O)O1 P122960 [0,0,0,1,0,1|1,0,0]=3 2097 B7R1.2 CC1COC(=O)O1 S135940 [0,0,0,1,0,1|1,0,0]=3 2098 B7R1.2 CC1COS(=O)O1 M120340 [0,0,0,1,0,1|2,0,0]=4 2099 B7R1.12 C1C(C1F)C(=O)O F191156 [0,0,0,1,0,1|1,0,0]=3 2100 B7R1.12 C1C(C1F)C(=O)O R586886 [0,0,0,1,0,1|1,0,0]=3 2101 B7R1.12 C1C(C1F)C(=O)O R587591 [0,0,0,1,0,1|1,0,0]=3 2102 B7R1.12 C1C(C1F)C(=O)O S587590 [0,0,0,1,0,1|1,0,0]=3 2103 B7R1.12 CC1CC1C(=O)O M169350 [0,0,0,1,0,1|1,0,0]=3 2104 B7R1.20 C1CC1CC(=O)O C134997 [0,0,0,1,0,1|1,0,0]=3 2105 B7R1.4 C1C(C(=O)NO1)N C108718 [0,1,0,1,0,0|1,0,0]=3 2106 B7R1.4 C1C(C(=O)NO1)N D136996 [0,1,0,1,0,0|1,0,0]=3 2107 B7R1.4 C1C(C(=O)NO1)N D425443 [0,1,0,1,0,0|1,0,0]=3 2108 B7R1.4 C1C(C(=O)NO1)N L423473 [0,1,0,1,0,0|1,0,0]=3 2109 B7R1.4 C1C(C(=O)NO1)N S136251 [0,1,0,1,0,0|1,0,0]=3 2110 B7R1.4 C1C(C(CN1)O)O C175295 [0,1,0,1,0,0|1,0,1]=4 2111 B7R1.4 C1C(C(CN1)O)O P108071 [0,1,0,1,0,0|1,0,1]=4 2112 B7R1.4 C1C(C(CN1)O)O P108072 [0,1,0,1,0,0|1,0,1]=4 2113 B7R1.4 C1C(C(CN1)O)O P108073 [0,1,0,1,0,0|1,0,1]=4 2114 B7R1.4 C1C(C(CN1)O)O S178122 [0,1,0,1,0,0|1,0,1]=4 2115 B7R1.4 C1C(C(CO1)O)N A587267 [0,1,0,1,0,0|1,0,1]=4 2116 B7R1.4 C1C(C(CO1)O)O A151297 [0,1,0,1,0,0|0,0,2]=4 2117 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,1,0,0|1,0,1]=4 2118 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,1,0,1,0,0|2,0,0]=4 2119 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,1,0,1,0,0|2,0,0]=4 2120 B7R1.4 C1CC(C(C1)O)O I170645 [0,1,0,1,0,0|1,0,1]=4 2121 B7R1.4 C1CC(C(C1)O)O T471195 [0,1,0,1,0,0|1,0,1]=4 2122 B7R1.4 C1CNC(=O)C1O H486731 [0,1,0,1,0,0|1,0,0]=3 2123 B7R1.4 C1COC(=O)C1Br B107924 [0,1,0,1,0,0|1,0,0]=3 2124 B7R1.4 C1COC(=O)C1N A101211 [0,1,0,1,0,0|1,0,0]=3 2125 B7R1.4 C1COC(=O)C1N I167498 [0,1,0,1,0,0|1,0,0]=3 2126 B7R1.4 C1COC(=O)C1N R137962 [0,1,0,1,0,0|1,0,0]=3 2127 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,1,0,0|0,0,0]=2 2128 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,1,0,0|0,0,0]=2 2129 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,1,0,0|0,0,0]=2 2130 B7R1.4 C1COC(=O)N1N A114272 [0,1,0,1,0,0|2,0,0]=4 2131 B7R1.4 C1CSC(=O)C1N H108030 [0,1,0,1,0,0|1,1,0]=4 2132 B7R1.4 C1CSC(=O)C1N S169532 [0,1,0,1,0,0|1,1,0]=4 2133 B7R1.4 C=C1CCOC1=O M108009 [0,1,0,1,0,0|1,0,1]=4 2134 B7R1.4 CC1=CCOC1=O M158201 [0,1,0,1,0,0|1,0,1]=4 2135 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|1,0,0]=3 2136 B7R1.4 CC1C(=O)CCS1 M102985 [0,1,0,1,0,0|1,1,0]=4 2137 B7R1.4 CC1CCCC1=O M138029 [0,1,0,1,0,0|2,0,0]=4 2138 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|1,0,0]=3 2139 B7R1.4 CN1CCOC1=O M132701 [0,1,0,1,0,0|2,0,0]=4 2140 B7R1.18 C1C(CN1)C(=O)O A103105 [0,1,0,1,0,0|1,0,0]=3 2141 B7R1.18 C1C(CO1)C(=O)O O166062 [0,1,0,1,0,0|0,0,0]=2 2142 B7R1.18 C1CC(C1)C(=O)Cl C170618 [0,1,0,1,0,0|2,0,0]=4 2143 B7R1.18 C1CC(C1)C(=O)O C120879 [0,1,0,1,0,0|1,0,0]=3 2144 B7R1.18 C1CNC1C(=O)O A124088 [0,1,0,1,0,0|1,0,0]=3 2145 B7R1.18 C1CNC1C(=O)O A175896 [0,1,0,1,0,0|1,0,0]=3 2146 B7R1.18 C1CNC1C(=O)O R177416 [0,1,0,1,0,0|1,0,0]=3 2147 B7R1.18 CC(=O)C1CCC1 A151658 [0,1,0,1,0,0|2,0,0]=4 2148 B7R1.19 C1CC1(C(=O)N)N A176135 [0,1,0,1,0,0|2,0,0]=4 2149 B7R1.19 C1CC1(C(=O)O)F F181343 [0,1,0,1,0,0|1,0,0]=3 2150 B7R1.19 C1CC1(C(=O)O)N A101238 [0,1,0,1,0,0|1,0,0]=3 2151 B7R1.19 C1CC1(C(=O)O)N A102433 [0,1,0,1,0,0|1,0,0]=3 2152 B7R1.19 C1CC1(C(=O)O)N A422646 [0,1,0,1,0,0|1,0,0]=3 2153 B7R1.19 CC(=O)C1(CC1)C M342570 [0,1,0,1,0,0|2,0,0]=4 2154 B7R1.19 CC1(CC1)C(=O)O M158058 [0,1,0,1,0,0|1,0,0]=3 2155 B7R1.22 C1CC1C(=NO)N N589318 [0,1,0,1,0,0|2,0,0]=4 2156 B7R1.22 C1CC1C(=O)CBr B186063 [0,1,0,1,0,0|2,0,0]=4 2157 B7R1.22 C1CC1C(=O)NN C177206 [0,1,0,1,0,0|2,0,0]=4 2158 B7R1.22 COC(=O)C1CC1 M108025 [0,1,0,1,0,0|1,0,0]=3 2159 B7R1.22 COC(=O)C1CN1 M111108 [0,1,0,1,0,0|1,0,0]=3 2160 B7R1.22 COC(=O)C1CO1 G303748 [0,1,0,1,0,0|0,0,0]=2 2161 B7R1.22 COC(=O)C1CO1 M344543 [0,1,0,1,0,0|0,0,0]=2 2162 B7R1.22 COC(=O)C1CO1 S179901 [0,1,0,1,0,0|0,0,0]=2 2163 B7R0.6 C(#CC(=O)O)C(=O)O A113362 [0,0,0,0,0,2|1,0,1]=4 2164 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,0,0,0,0,2|1,0,1]=4 2165 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,0,0,0,0,2|1,0,1]=4 2166 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,0,0,0,0,2|1,0,1]=4 2167 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,0,0,0,0,2|1,0,1]=4 2168 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,0,0,0,0,2|1,0,1]=4 2169 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,0,0,0,0,2|1,0,1]=4 2170 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,0,0,0,0,2|1,0,1]=4 2171 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,0,0,0,0,2|1,0,1]=4 2172 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,0,0,0,0,2|1,0,1]=4 2173 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,0,0,0,0,2|1,0,1]=4 2174 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,0,0,0,0,2|1,0,1]=4 2175 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,0,0,0,0,2|1,0,1]=4 2176 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,0,0,0,0,2|1,0,1]=4 2177 B7R0.6 C(CC(=O)O)C(=O)O P111885 [0,0,0,0,0,2|1,0,1]=4 2178 B7R0.6 C(CC(=O)O)C(=O)O S108852 [0,0,0,0,0,2|1,0,1]=4 2179 B7R0.6 C(CC(=O)O)C(=O)O S108853 [0,0,0,0,0,2|1,0,1]=4 2180 B7R0.6 C(CC(=O)O)C(=O)O S108854 [0,0,0,0,0,2|1,0,1]=4 2181 B7R0.6 C(CC(=O)O)C(=O)O S108855 [0,0,0,0,0,2|1,0,1]=4 2182 B7R0.6 C(CC(=O)O)C(=O)O S108856 [0,0,0,0,0,2|1,0,1]=4 2183 B7R0.6 C(CC(=O)O)C(=O)O S303059 [0,0,0,0,0,2|1,0,1]=4 2184 B7R0.6 C(CC(=O)O)C(=O)O S346179 [0,0,0,0,0,2|1,0,1]=4 2185 B7R0.6 C(CC(=O)O)C(=O)O S420589 [0,0,0,0,0,2|1,0,1]=4 2186 B7R0.6 C(CC(=O)O)C(=O)O S431423 [0,0,0,0,0,2|1,0,1]=4 2187 B7R0.6 C(CC(=O)O)C(=O)O S431424 [0,0,0,0,0,2|1,0,1]=4 2188 B7R0.6 C(CC(=O)O)C(=O)O S472090 [0,0,0,0,0,2|1,0,1]=4 2189 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,0,2|0,0,2]=4 2190 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,0,2|0,0,2]=4 2191 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,0,2|0,0,2]=4 2192 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,0,2|0,0,2]=4 2193 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,0,2|0,0,2]=4 2194 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,0,2|0,0,2]=4 2195 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,0,2|0,0,2]=4 2196 B7R0.6 CC(=S)NCC(=O)O N159832 [0,0,0,0,0,2|0,1,1]=4 2197 B7R0.6 CC(C)C=CC(=O)C M170732 [0,0,0,0,0,2|2,0,0]=4 2198 B7R0.6 CC(C)C=CC(=O)O M158379 [0,0,0,0,0,2|1,0,0]=3 2199 B7R0.6 CC(C)CCC(=O)C M106666 [0,0,0,0,0,2|2,0,0]=4 2200 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,0,0,0,0,2|2,0,0]=4 2201 B7R0.6 CC(C)CCC(=O)O M117869 [0,0,0,0,0,2|1,0,0]=3 2202 B7R0.6 CC(C)COC(=O)C I110418 [0,0,0,0,0,2|2,0,0]=4 2203 B7R0.6 CC(C)COC(=O)C I110419 [0,0,0,0,0,2|2,0,0]=4 2204 B7R0.6 CC(C)COC(=O)Cl I105738 [0,0,0,0,0,2|2,0,0]=4 2205 B7R0.6 CC(C)NNC(=O)C N193444 [0,0,0,0,0,2|2,0,0]=4 2206 B7R0.6 CC(CCC(C)O)O H157400 [0,0,0,0,0,2|1,0,1]=4 2207 B7R0.6 CC(CCC(C)O)O R160953 [0,0,0,0,0,2|1,0,1]=4 2208 B7R0.6 CC(CCC(C)O)O S133391 [0,0,0,0,0,2|1,0,1]=4 2209 B7R0.6 CN(C)CCC(=O)O D132248 [0,0,0,0,0,2|2,0,0]=4 2210 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,0,0,0,0,2|2,0,0]=4