0 B5R0.5 B(C(C)C)(O)O I120299 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T103365 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T103366 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T103368 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T103370 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T103371 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T140669 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T298959 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.5 C(=C(Cl)Cl)(Cl)Cl T349235 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.5 C(=C(F)F)(F)F P111312 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.5 C(=C(F)F)(F)F P301928 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.5 C(=C(F)F)(F)F P434335 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.5 C(=C(F)F)(F)F P434338 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.5 C(=C(F)F)(F)F P492207 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.5 C(=N)(N)S(=O)O T104705 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.5 C(=O)(C(=O)Br)Br O167477 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.5 C(=O)(C(=O)Cl)Cl O104558 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 C(=O)(C(=O)Cl)Cl O434200 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.5 C(=O)(C(=O)N)N O113868 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 C(=O)(C(=O)O)N O138881 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 C(=O)(C(=O)O)O B301311 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.5 C(=O)(C(=O)O)O C111747 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 C(=O)(C(=O)O)O C111748 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.5 C(=O)(C(=O)O)O C118872 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.5 C(=O)(C(=O)O)O E194461 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.5 C(=O)(C(=O)O)O E332175 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.5 C(=O)(C(=O)O)O M304253 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.5 C(=O)(C(=O)O)O O107179 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.5 C(=O)(C(=O)O)O O107180 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.5 C(=O)(C(=O)O)O O107181 [0,0,0,0,0,0|1,0,0]=1 30 B5R0.5 C(=O)(C(=O)O)O O107182 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.5 C(=O)(C(=O)O)O O111910 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.5 C(=O)(C(=O)O)O O111912 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.5 C(=O)(C(=O)O)O O111916 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.5 C(=O)(C(=O)O)O O111917 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.5 C(=O)(C(=O)O)O O111918 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.5 C(=O)(C(=O)O)O O291733 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.5 C(=O)(C(=O)O)O O291734 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.5 C(=O)(C(=O)O)O O291735 [0,0,0,0,0,0|1,0,0]=1 39 B5R0.5 C(=O)(C(=O)O)O O291762 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.5 C(=O)(C(=O)O)O O301562 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.5 C(=O)(C(=O)O)O O421641 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.5 C(=O)(C(=O)O)O O432116 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.5 C(=O)(C(=O)O)O O433119 [0,0,0,0,0,0|1,0,0]=1 44 B5R0.5 C(=O)(C(=O)O)O O433120 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.5 C(=O)(C(=O)O)O O639870 [0,0,0,0,0,0|1,0,0]=1 46 B5R0.5 C(=O)(C(=O)O)O P639574 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.5 C(=O)(C(=O)O)O V302994 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.5 C(=O)(C(=O)[O-])N O159953 [0,0,0,0,0,0|1,0,1]=2 49 B5R0.5 C(=O)(C(=O)[O-])N S123221 [0,0,0,0,0,0|1,0,1]=2 50 B5R0.5 C(=O)(C(=O)[O-])O P112431 [0,0,0,0,0,0|1,0,0]=1 51 B5R0.5 C(=O)(C(=O)[O-])O P112432 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.5 C(=O)(C(=O)[O-])[O-] A107177 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.5 C(=O)(C(=O)[O-])[O-] A111621 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.5 C(=O)(C(=O)[O-])[O-] A111623 [0,0,0,0,0,0|1,0,1]=2 55 B5R0.5 C(=O)(C(=O)[O-])[O-] A111624 [0,0,0,0,0,0|1,0,1]=2 56 B5R0.5 C(=O)(C(=O)[O-])[O-] A111625 [0,0,0,0,0,0|1,0,1]=2 57 B5R0.5 C(=O)(C(=O)[O-])[O-] A111626 [0,0,0,0,0,0|1,0,1]=2 58 B5R0.5 C(=O)(C(=O)[O-])[O-] A189700 [0,0,0,0,0,0|1,0,1]=2 59 B5R0.5 C(=O)(C(=O)[O-])[O-] C104249 [0,0,0,0,0,0|1,0,1]=2 60 B5R0.5 C(=O)(C(=O)[O-])[O-] C104338 [0,0,0,0,0,0|1,0,1]=2 61 B5R0.5 C(=O)(C(=O)[O-])[O-] C304075 [0,0,0,0,0,0|1,0,1]=2 62 B5R0.5 C(=O)(C(=O)[O-])[O-] D332176 [0,0,0,0,0,0|1,0,1]=2 63 B5R0.5 C(=O)(C(=O)[O-])[O-] E283493 [0,0,0,0,0,0|1,0,1]=2 64 B5R0.5 C(=O)(C(=O)[O-])[O-] G335314 [0,0,0,0,0,0|1,0,1]=2 65 B5R0.5 C(=O)(C(=O)[O-])[O-] I104328 [0,0,0,0,0,0|1,0,1]=2 66 B5R0.5 C(=O)(C(=O)[O-])[O-] I104329 [0,0,0,0,0,0|1,0,1]=2 67 B5R0.5 C(=O)(C(=O)[O-])[O-] I196235 [0,0,0,0,0,0|1,0,1]=2 68 B5R0.5 C(=O)(C(=O)[O-])[O-] I283342 [0,0,0,0,0,0|1,0,1]=2 69 B5R0.5 C(=O)(C(=O)[O-])[O-] L193903 [0,0,0,0,0,0|1,0,1]=2 70 B5R0.5 C(=O)(C(=O)[O-])[O-] L345282 [0,0,0,0,0,0|1,0,1]=2 71 B5R0.5 C(=O)(C(=O)[O-])[O-] L401056 [0,0,0,0,0,0|1,0,1]=2 72 B5R0.5 C(=O)(C(=O)[O-])[O-] M304150 [0,0,0,0,0,0|1,0,1]=2 73 B5R0.5 C(=O)(C(=O)[O-])[O-] N189075 [0,0,0,0,0,0|1,0,1]=2 74 B5R0.5 C(=O)(C(=O)[O-])[O-] N190420 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.5 C(=O)(C(=O)[O-])[O-] N418669 [0,0,0,0,0,0|1,0,1]=2 76 B5R0.5 C(=O)(C(=O)[O-])[O-] P100094 [0,0,0,0,0,0|1,0,1]=2 77 B5R0.5 C(=O)(C(=O)[O-])[O-] P100095 [0,0,0,0,0,0|1,0,1]=2 78 B5R0.5 C(=O)(C(=O)[O-])[O-] P111570 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.5 C(=O)(C(=O)[O-])[O-] P111574 [0,0,0,0,0,0|1,0,1]=2 80 B5R0.5 C(=O)(C(=O)[O-])[O-] P111576 [0,0,0,0,0,0|1,0,1]=2 81 B5R0.5 C(=O)(C(=O)[O-])[O-] P299230 [0,0,0,0,0,0|1,0,1]=2 82 B5R0.5 C(=O)(C(=O)[O-])[O-] S112348 [0,0,0,0,0,0|1,0,1]=2 83 B5R0.5 C(=O)(C(=O)[O-])[O-] S112353 [0,0,0,0,0,0|1,0,1]=2 84 B5R0.5 C(=O)(C(=O)[O-])[O-] S112355 [0,0,0,0,0,0|1,0,1]=2 85 B5R0.5 C(=O)(C(=O)[O-])[O-] S112356 [0,0,0,0,0,0|1,0,1]=2 86 B5R0.5 C(=O)(C(=O)[O-])[O-] S112992 [0,0,0,0,0,0|1,0,1]=2 87 B5R0.5 C(=O)(C(=O)[O-])[O-] S117539 [0,0,0,0,0,0|1,0,1]=2 88 B5R0.5 C(=O)(C(=O)[O-])[O-] S299314 [0,0,0,0,0,0|1,0,1]=2 89 B5R0.5 C(=O)(C(=O)[O-])[O-] S304156 [0,0,0,0,0,0|1,0,1]=2 90 B5R0.5 C(=O)(C(=O)[O-])[O-] T100112 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.5 C(=O)(C(=O)[O-])[O-] Y283407 [0,0,0,0,0,0|1,0,1]=2 92 B5R0.5 C(=O)(C(=O)[O-])[O-] Z303988 [0,0,0,0,0,0|1,0,1]=2 93 B5R0.5 C(=S)(C(=S)N)N D109077 [0,0,0,0,0,0|2,2,0]=4 94 B5R0.5 C(C(=O)Cl)(Cl)Cl D106078 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.5 C(C(=O)N)(Cl)Cl D137671 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.5 C(C(=O)N)(F)F D184006 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.5 C(C(=O)O)(Br)Br D304215 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.5 C(C(=O)O)(Cl)Br B338271 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.5 C(C(=O)O)(Cl)Br K304415 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.5 C(C(=O)O)(Cl)Cl D104244 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.5 C(C(=O)O)(Cl)Cl D305467 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.5 C(C(=O)O)(Cl)Cl D472033 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.5 C(C(=O)O)(F)F D102056 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.5 C(C(=O)[O-])(Cl)Cl S161074 [0,0,0,0,0,0|2,0,2]=4 105 B5R0.5 C(C(=O)[O-])(Cl)Cl S161233 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.5 C(C(=O)[O-])(Cl)Cl S422596 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.5 C(C(=O)[O-])(F)F L355087 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.5 C=C(C(=O)O)F F193388 [0,0,0,0,0,0|1,0,1]=2 109 B5R0.5 CC(=C(C)C)C D107648 [0,0,0,0,0,0|3,0,0]=3 110 B5R0.5 CC(=C)C(=C)C D155426 [0,0,0,0,0,0|3,0,0]=3 111 B5R0.5 CC(=C)C(=O)C I107938 [0,0,0,0,0,0|2,0,0]=2 112 B5R0.5 CC(=C)C(=O)Cl M109517 [0,0,0,0,0,0|2,0,0]=2 113 B5R0.5 CC(=C)C(=O)Cl M299463 [0,0,0,0,0,0|2,0,0]=2 114 B5R0.5 CC(=C)C(=O)N M104042 [0,0,0,0,0,0|2,0,0]=2 115 B5R0.5 CC(=C)C(=O)O M102640 [0,0,0,0,0,0|1,0,0]=1 116 B5R0.5 CC(=C)C(=O)O M102641 [0,0,0,0,0,0|1,0,0]=1 117 B5R0.5 CC(=C)C(=O)O M102642 [0,0,0,0,0,0|1,0,0]=1 118 B5R0.5 CC(=C)C(=O)O M434201 [0,0,0,0,0,0|1,0,0]=1 119 B5R0.5 CC(=C)C(=O)[O-] C347801 [0,0,0,0,0,0|1,0,1]=2 120 B5R0.5 CC(=C)C(=O)[O-] P304402 [0,0,0,0,0,0|1,0,1]=2 121 B5R0.5 CC(=C)C(=O)[O-] P580750 [0,0,0,0,0,0|1,0,1]=2 122 B5R0.5 CC(=C)C(=O)[O-] S103167 [0,0,0,0,0,0|1,0,1]=2 123 B5R0.5 CC(=C)C(=O)[O-] Z102681 [0,0,0,0,0,0|1,0,1]=2 124 B5R0.5 CC(=C)C(O)=O P477951 [0,0,0,0,0,0|1,0,0]=1 125 B5R0.5 CC(=O)C(=O)C B104601 [0,0,0,0,0,0|1,0,0]=1 126 B5R0.5 CC(=O)C(=O)C B104602 [0,0,0,0,0,0|1,0,0]=1 127 B5R0.5 CC(=O)C(=O)C B104603 [0,0,0,0,0,0|1,0,0]=1 128 B5R0.5 CC(=O)C(=O)C B432715 [0,0,0,0,0,0|1,0,0]=1 129 B5R0.5 CC(=O)C(=O)O P104136 [0,0,0,0,0,0|0,0,0]=0 130 B5R0.5 CC(=O)C(=O)O P104138 [0,0,0,0,0,0|0,0,0]=0 131 B5R0.5 CC(=O)C(=O)O P421121 [0,0,0,0,0,0|0,0,0]=0 132 B5R0.5 CC(=O)C(=O)[O-] C135949 [0,0,0,0,0,0|0,0,1]=1 133 B5R0.5 CC(=O)C(=O)[O-] L157766 [0,0,0,0,0,0|0,0,1]=1 134 B5R0.5 CC(=O)C(=O)[O-] P332759 [0,0,0,0,0,0|0,0,1]=1 135 B5R0.5 CC(=O)C(=O)[O-] S104174 [0,0,0,0,0,0|0,0,1]=1 136 B5R0.5 CC(=O)C(=O)[O-] S345696 [0,0,0,0,0,0|0,0,1]=1 137 B5R0.5 CC(=O)N(C)C D108094 [0,0,0,0,0,0|3,0,0]=3 138 B5R0.5 CC(=O)N(C)C D108095 [0,0,0,0,0,0|3,0,0]=3 139 B5R0.5 CC(=O)N(C)C D108096 [0,0,0,0,0,0|3,0,0]=3 140 B5R0.5 CC(=O)N(C)C D108098 [0,0,0,0,0,0|3,0,0]=3 141 B5R0.5 CC(=O)N(C)C D108099 [0,0,0,0,0,0|3,0,0]=3 142 B5R0.5 CC(=O)N(C)C D108100 [0,0,0,0,0,0|3,0,0]=3 143 B5R0.5 CC(=O)N(C)C D119664 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.5 CC(=O)N(C)C D121274 [0,0,0,0,0,0|3,0,0]=3 145 B5R0.5 CC(=S)N(C)C N140450 [0,0,0,0,0,0|3,1,0]=4 146 B5R0.5 CC(C(=O)Br)Br B106918 [0,0,0,0,0,0|2,0,1]=3 147 B5R0.5 CC(C(=O)C)Br B195163 [0,0,0,0,0,0|2,0,1]=3 148 B5R0.5 CC(C(=O)C)Cl C136316 [0,0,0,0,0,0|2,0,1]=3 149 B5R0.5 CC(C(=O)C)N A168580 [0,0,0,0,0,0|2,0,1]=3 150 B5R0.5 CC(C(=O)C)O A109410 [0,0,0,0,0,0|1,0,1]=2 151 B5R0.5 CC(C(=O)C)O A109411 [0,0,0,0,0,0|1,0,1]=2 152 B5R0.5 CC(C(=O)C)S M102955 [0,0,0,0,0,0|1,1,1]=3 153 B5R0.5 CC(C(=O)Cl)Br B119905 [0,0,0,0,0,0|2,0,1]=3 154 B5R0.5 CC(C(=O)Cl)Cl C102420 [0,0,0,0,0,0|2,0,1]=3 155 B5R0.5 CC(C(=O)Cl)Cl C401784 [0,0,0,0,0,0|2,0,1]=3 156 B5R0.5 CC(C(=O)N)Br B474352 [0,0,0,0,0,0|2,0,1]=3 157 B5R0.5 CC(C(=O)N)Cl C169221 [0,0,0,0,0,0|2,0,1]=3 158 B5R0.5 CC(C(=O)N)N A117207 [0,0,0,0,0,0|2,0,1]=3 159 B5R0.5 CC(C(=O)N)N H589984 [0,0,0,0,0,0|2,0,1]=3 160 B5R0.5 CC(C(=O)N)N R192946 [0,0,0,0,0,0|2,0,1]=3 161 B5R0.5 CC(C(=O)N)O R139052 [0,0,0,0,0,0|1,0,2]=3 162 B5R0.5 CC(C(=O)N)O S469819 [0,0,0,0,0,0|1,0,2]=3 163 B5R0.5 CC(C(=O)O)Br B106080 [0,0,0,0,0,0|1,0,1]=2 164 B5R0.5 CC(C(=O)O)Br B106920 [0,0,0,0,0,0|1,0,1]=2 165 B5R0.5 CC(C(=O)O)Br R160937 [0,0,0,0,0,0|1,0,1]=2 166 B5R0.5 CC(C(=O)O)Cl C106527 [0,0,0,0,0,0|1,0,1]=2 167 B5R0.5 CC(C(=O)O)Cl C109467 [0,0,0,0,0,0|1,0,1]=2 168 B5R0.5 CC(C(=O)O)Cl C140796 [0,0,0,0,0,0|1,0,1]=2 169 B5R0.5 CC(C(=O)O)Cl R160939 [0,0,0,0,0,0|1,0,1]=2 170 B5R0.5 CC(C(=O)O)F F469437 [0,0,0,0,0,0|1,0,1]=2 171 B5R0.5 CC(C(=O)O)N A100051 [0,0,0,0,0,0|1,0,1]=2 172 B5R0.5 CC(C(=O)O)N A108263 [0,0,0,0,0,0|1,0,1]=2 173 B5R0.5 CC(C(=O)O)N A109095 [0,0,0,0,0,0|1,0,1]=2 174 B5R0.5 CC(C(=O)O)N A117757 [0,0,0,0,0,0|1,0,1]=2 175 B5R0.5 CC(C(=O)O)N A117758 [0,0,0,0,0,0|1,0,1]=2 176 B5R0.5 CC(C(=O)O)N A118860 [0,0,0,0,0,0|1,0,1]=2 177 B5R0.5 CC(C(=O)O)N D423466 [0,0,0,0,0,0|1,0,1]=2 178 B5R0.5 CC(C(=O)O)N D472023 [0,0,0,0,0,0|1,0,1]=2 179 B5R0.5 CC(C(=O)O)N D474151 [0,0,0,0,0,0|1,0,1]=2 180 B5R0.5 CC(C(=O)O)N L424776 [0,0,0,0,0,0|1,0,1]=2 181 B5R0.5 CC(C(=O)O)N S432937 [0,0,0,0,0,0|1,0,1]=2 182 B5R0.5 CC(C(=O)O)O L107595 [0,0,0,0,0,0|0,0,2]=2 183 B5R0.5 CC(C(=O)O)O L107596 [0,0,0,0,0,0|0,0,2]=2 184 B5R0.5 CC(C(=O)O)O L108839 [0,0,0,0,0,0|0,0,2]=2 185 B5R0.5 CC(C(=O)O)O L108841 [0,0,0,0,0,0|0,0,2]=2 186 B5R0.5 CC(C(=O)O)O L122089 [0,0,0,0,0,0|0,0,2]=2 187 B5R0.5 CC(C(=O)O)O L122090 [0,0,0,0,0,0|0,0,2]=2 188 B5R0.5 CC(C(=O)O)O L291729 [0,0,0,0,0,0|0,0,2]=2 189 B5R0.5 CC(C(=O)O)O L291730 [0,0,0,0,0,0|0,0,2]=2 190 B5R0.5 CC(C(=O)O)O L291731 [0,0,0,0,0,0|0,0,2]=2 191 B5R0.5 CC(C(=O)O)O L291732 [0,0,0,0,0,0|0,0,2]=2 192 B5R0.5 CC(C(=O)O)O L425989 [0,0,0,0,0,0|0,0,2]=2 193 B5R0.5 CC(C(=O)O)O P169115 [0,0,0,0,0,0|0,0,2]=2 194 B5R0.5 CC(C(=O)O)O S161106 [0,0,0,0,0,0|0,0,2]=2 195 B5R0.5 CC(C(=O)O)S T162374 [0,0,0,0,0,0|0,1,1]=2 196 B5R0.5 CC(C(=O)[O-])O A303861 [0,0,0,0,0,0|0,0,3]=3 197 B5R0.5 CC(C(=O)[O-])O C110506 [0,0,0,0,0,0|0,0,3]=3 198 B5R0.5 CC(C(=O)[O-])O C304709 [0,0,0,0,0,0|0,0,3]=3 199 B5R0.5 CC(C(=O)[O-])O D304649 [0,0,0,0,0,0|0,0,3]=3 200 B5R0.5 CC(C(=O)[O-])O I350723 [0,0,0,0,0,0|0,0,3]=3 201 B5R0.5 CC(C(=O)[O-])O L104219 [0,0,0,0,0,0|0,0,3]=3 202 B5R0.5 CC(C(=O)[O-])O L133140 [0,0,0,0,0,0|0,0,3]=3 203 B5R0.5 CC(C(=O)[O-])O M305218 [0,0,0,0,0,0|0,0,3]=3 204 B5R0.5 CC(C(=O)[O-])O P113770 [0,0,0,0,0,0|0,0,3]=3 205 B5R0.5 CC(C(=O)[O-])O P305067 [0,0,0,0,0,0|0,0,3]=3 206 B5R0.5 CC(C(=O)[O-])O S108837 [0,0,0,0,0,0|0,0,3]=3 207 B5R0.5 CC(C(=O)[O-])O S108838 [0,0,0,0,0,0|0,0,3]=3 208 B5R0.5 CC(C(=O)[O-])O S301759 [0,0,0,0,0,0|0,0,3]=3 209 B5R0.5 CC(C(=O)[O-])O S302327 [0,0,0,0,0,0|0,0,3]=3 210 B5R0.5 CC(C(=O)[O-])O S334655 [0,0,0,0,0,0|0,0,3]=3 211 B5R0.5 CC(C(=O)[O-])O S426464 [0,0,0,0,0,0|0,0,3]=3 212 B5R0.5 CC(C(=O)[O-])O S465689 [0,0,0,0,0,0|0,0,3]=3 213 B5R0.5 CC(C(C)O)O B103428 [0,0,0,0,0,0|1,0,3]=4 214 B5R0.5 CC(C(C)O)O B424414 [0,0,0,0,0,0|1,0,3]=4 215 B5R0.5 CC(C(C)O)O R135716 [0,0,0,0,0,0|1,0,3]=4 216 B5R0.5 CC(C(C)O)O R422817 [0,0,0,0,0,0|1,0,3]=4 217 B5R0.5 CC(C(C)O)O R470710 [0,0,0,0,0,0|1,0,3]=4 218 B5R0.5 CC(C(C)O)O S160997 [0,0,0,0,0,0|1,0,3]=4 219 B5R0.5 CC(C(C)S)O M102962 [0,0,0,0,0,0|1,1,2]=4 220 B5R0.5 CC(C(C)S)O M158761 [0,0,0,0,0,0|1,1,2]=4 221 B5R0.5 CC(C)C(=C)C D101515 [0,0,0,0,0,0|3,0,1]=4 222 B5R0.5 CC(C)C(=N)N I335550 [0,0,0,0,0,0|3,0,1]=4 223 B5R0.5 CC(C)C(=O)C M103677 [0,0,0,0,0,0|2,0,1]=3 224 B5R0.5 CC(C)C(=O)C M103678 [0,0,0,0,0,0|2,0,1]=3 225 B5R0.5 CC(C)C(=O)Cl I107549 [0,0,0,0,0,0|2,0,1]=3 226 B5R0.5 CC(C)C(=O)N I157612 [0,0,0,0,0,0|2,0,1]=3 227 B5R0.5 CC(C)C(=O)O I103521 [0,0,0,0,0,0|1,0,1]=2 228 B5R0.5 CC(C)C(=O)O I103522 [0,0,0,0,0,0|1,0,1]=2 229 B5R0.5 CC(C)C(=O)O I103524 [0,0,0,0,0,0|1,0,1]=2 230 B5R0.5 CC(C)C(=O)O I303334 [0,0,0,0,0,0|1,0,1]=2 231 B5R0.5 CC(C)C(=O)O I434199 [0,0,0,0,0,0|1,0,1]=2 232 B5R0.5 CC(C)C(=O)[O-] P160181 [0,0,0,0,0,0|1,0,2]=3 233 B5R0.5 CC(C)C(=S)N T140153 [0,0,0,0,0,0|2,1,1]=4 234 B5R0.5 CC(C)C(C)O M158745 [0,0,0,0,0,0|2,0,2]=4 235 B5R0.5 CC(C)[N+](=O)[O-] N107506 [0,0,0,0,0,0|2,0,2]=4 236 B5R0.5 CN(C(=S)N)N M133986 [0,0,0,0,0,0|3,1,0]=4 237 B5R0.5 CN(C)C(=N)N D154660 [0,0,0,0,0,0|4,0,0]=4 238 B5R0.5 CN(C)C(=O)Cl D106525 [0,0,0,0,0,0|3,0,0]=3 239 B5R0.5 CN(C)C(=O)N D155381 [0,0,0,0,0,0|3,0,0]=3 240 B5R0.5 CN(C)C(=S)Cl N135547 [0,0,0,0,0,0|3,1,0]=4 241 B5R0.5 CN(C)C(=S)S D154695 [0,0,0,0,0,0|2,2,0]=4 242 B5R0.5 CN(C)C(=S)[S-] C154089 [0,0,0,0,0,0|2,2,0]=4 243 B5R0.5 CN(C)C(=S)[S-] F114609 [0,0,0,0,0,0|2,2,0]=4 244 B5R0.5 CN(C)C(=S)[S-] F137780 [0,0,0,0,0,0|2,2,0]=4 245 B5R0.5 CN(C)C(=S)[S-] S106280 [0,0,0,0,0,0|2,2,0]=4 246 B5R0.5 CN(C)C(=S)[S-] Z162995 [0,0,0,0,0,0|2,2,0]=4 247 B5R0.5 C[N+](=C(Cl)Cl)C D155316 [0,0,0,0,0,0|4,0,0]=4 248 B5R0.5 [O-]S(=O)S(=O)[O-] S433997 [0,0,0,0,0,0|3,0,1]=4 249 B5R0.5 [O-]S(=O)S(=O)[O-] S433998 [0,0,0,0,0,0|3,0,1]=4 250 B5R0.5 [O-]S(=O)S(=O)[O-] S492246 [0,0,0,0,0,0|3,0,1]=4 251 B4R0.1 B(CC)(O)O E120272 [1,0,0,0,0,0|1,0,2]=4 252 B4R0.1 C#CC(=O)N P344736 [1,0,0,0,0,0|1,0,2]=4 253 B4R0.1 C#CC(=O)O P109569 [1,0,0,0,0,0|0,0,2]=3 254 B4R0.1 C(=C(Cl)Cl)Cl T100714 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.1 C(=C(Cl)Cl)Cl T100715 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.1 C(=C(Cl)Cl)Cl T100717 [1,0,0,0,0,0|3,0,0]=4 257 B4R0.1 C(=C(Cl)Cl)Cl T100719 [1,0,0,0,0,0|3,0,0]=4 258 B4R0.1 C(=C(Cl)Cl)Cl T119718 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.1 C(=NO)(Br)Br D186365 [1,0,0,0,0,0|3,0,0]=4 260 B4R0.1 C(=O)(N)NN A105056 [1,0,0,0,0,0|3,0,0]=4 261 B4R0.1 C(=O)(N)NN A105058 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 C(=O)(N)NN S171063 [1,0,0,0,0,0|3,0,0]=4 263 B4R0.1 C(=O)(N)NO H106352 [1,0,0,0,0,0|2,0,0]=3 264 B4R0.1 C(=O)(SCl)Cl C154038 [1,0,0,0,0,0|3,0,0]=4 265 B4R0.1 C(=O)C(=O)O G108309 [1,0,0,0,0,0|0,0,0]=1 266 B4R0.1 C(=O)C(=O)O G169372 [1,0,0,0,0,0|0,0,0]=1 267 B4R0.1 C(C(=O)Br)Br B106897 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.1 C(C(=O)Cl)Br B137113 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.1 C(C(=O)N)Br B139173 [1,0,0,0,0,0|2,0,1]=4 270 B4R0.1 C(C(=O)N)Cl C106072 [1,0,0,0,0,0|2,0,1]=4 271 B4R0.1 C(C(=O)N)I I105563 [1,0,0,0,0,0|2,0,1]=4 272 B4R0.1 C(C(=O)N)I I131590 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.1 C(C(=O)N)I I421630 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.1 C(C(=O)N)N G106202 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.1 C(C(=O)N)N G185482 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 C(C(=O)N)O G102639 [1,0,0,0,0,0|1,0,1]=3 277 B4R0.1 C(C(=O)O)Br B108523 [1,0,0,0,0,0|1,0,1]=3 278 B4R0.1 C(C(=O)O)Br B108524 [1,0,0,0,0,0|1,0,1]=3 279 B4R0.1 C(C(=O)O)Br B108525 [1,0,0,0,0,0|1,0,1]=3 280 B4R0.1 C(C(=O)O)Br B355164 [1,0,0,0,0,0|1,0,1]=3 281 B4R0.1 C(C(=O)O)Br B434194 [1,0,0,0,0,0|1,0,1]=3 282 B4R0.1 C(C(=O)O)Cl C485697 [1,0,0,0,0,0|1,0,1]=3 283 B4R0.1 C(C(=O)O)I I104613 [1,0,0,0,0,0|1,0,1]=3 284 B4R0.1 C(C(=O)O)N A110749 [1,0,0,0,0,0|1,0,1]=3 285 B4R0.1 C(C(=O)O)N A110750 [1,0,0,0,0,0|1,0,1]=3 286 B4R0.1 C(C(=O)O)N A110751 [1,0,0,0,0,0|1,0,1]=3 287 B4R0.1 C(C(=O)O)N A110752 [1,0,0,0,0,0|1,0,1]=3 288 B4R0.1 C(C(=O)O)N A111465 [1,0,0,0,0,0|1,0,1]=3 289 B4R0.1 C(C(=O)O)N A124751 [1,0,0,0,0,0|1,0,1]=3 290 B4R0.1 C(C(=O)O)N A124757 [1,0,0,0,0,0|1,0,1]=3 291 B4R0.1 C(C(=O)O)N A298706 [1,0,0,0,0,0|1,0,1]=3 292 B4R0.1 C(C(=O)O)N B190646 [1,0,0,0,0,0|1,0,1]=3 293 B4R0.1 C(C(=O)O)N B573462 [1,0,0,0,0,0|1,0,1]=3 294 B4R0.1 C(C(=O)O)N G110174 [1,0,0,0,0,0|1,0,1]=3 295 B4R0.1 C(C(=O)O)N G119904 [1,0,0,0,0,0|1,0,1]=3 296 B4R0.1 C(C(=O)O)N G133060 [1,0,0,0,0,0|1,0,1]=3 297 B4R0.1 C(C(=O)O)N G156794 [1,0,0,0,0,0|1,0,1]=3 298 B4R0.1 C(C(=O)O)N G156795 [1,0,0,0,0,0|1,0,1]=3 299 B4R0.1 C(C(=O)O)N G432934 [1,0,0,0,0,0|1,0,1]=3 300 B4R0.1 C(C(=O)O)N G432935 [1,0,0,0,0,0|1,0,1]=3 301 B4R0.1 C(C(=O)O)N G471905 [1,0,0,0,0,0|1,0,1]=3 302 B4R0.1 C(C(=O)O)N G472098 [1,0,0,0,0,0|1,0,1]=3 303 B4R0.1 C(C(=O)O)O G104191 [1,0,0,0,0,0|0,0,2]=3 304 B4R0.1 C(C(=O)O)O G104193 [1,0,0,0,0,0|0,0,2]=3 305 B4R0.1 C(C(=O)O)O G425976 [1,0,0,0,0,0|0,0,2]=3 306 B4R0.1 C(C(=O)O)O G434198 [1,0,0,0,0,0|0,0,2]=3 307 B4R0.1 C(C(=O)O)O G591002 [1,0,0,0,0,0|0,0,2]=3 308 B4R0.1 C(C(=O)O)O N129652 [1,0,0,0,0,0|0,0,2]=3 309 B4R0.1 C(C(=O)O)O N427119 [1,0,0,0,0,0|0,0,2]=3 310 B4R0.1 C(C(=O)O)O P136309 [1,0,0,0,0,0|0,0,2]=3 311 B4R0.1 C(C(=O)O)O P477164 [1,0,0,0,0,0|0,0,2]=3 312 B4R0.1 C(C(=O)O)S T104998 [1,0,0,0,0,0|0,1,1]=3 313 B4R0.1 C(C(=O)O)S T105002 [1,0,0,0,0,0|0,1,1]=3 314 B4R0.1 C(C(=O)O)S T501446 [1,0,0,0,0,0|0,1,1]=3 315 B4R0.1 C(C(=O)[O-])Br S124697 [1,0,0,0,0,0|1,0,2]=4 316 B4R0.1 C(C(=O)[O-])Cl S108371 [1,0,0,0,0,0|1,0,2]=4 317 B4R0.1 C(C(=O)[O-])I S104897 [1,0,0,0,0,0|1,0,2]=4 318 B4R0.1 C(C(=O)[O-])N F302712 [1,0,0,0,0,0|1,0,2]=4 319 B4R0.1 C(C(=O)[O-])N G104214 [1,0,0,0,0,0|1,0,2]=4 320 B4R0.1 C(C(=O)[O-])N G156806 [1,0,0,0,0,0|1,0,2]=4 321 B4R0.1 C(C(=O)[O-])N G168473 [1,0,0,0,0,0|1,0,2]=4 322 B4R0.1 C(C(=O)[O-])N M302926 [1,0,0,0,0,0|1,0,2]=4 323 B4R0.1 C(C(=O)[O-])O C154022 [1,0,0,0,0,0|1,0,1]=3 324 B4R0.1 C(C(=O)[O-])O C347797 [1,0,0,0,0,0|1,0,1]=3 325 B4R0.1 C(C(=O)[O-])O S102872 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.1 C(C(=O)[O-])S A109096 [1,0,0,0,0,0|0,1,2]=4 327 B4R0.1 C(C(=O)[O-])S C154034 [1,0,0,0,0,0|0,1,2]=4 328 B4R0.1 C(C(=O)[O-])S S105664 [1,0,0,0,0,0|0,1,2]=4 329 B4R0.1 C(O)S(=O)[O-] R110955 [1,0,0,0,0,0|2,0,1]=4 330 B4R0.1 C=C(CO)Br B352406 [1,0,0,0,0,0|1,0,2]=4 331 B4R0.1 C=C(CO)Cl C171127 [1,0,0,0,0,0|1,0,2]=4 332 B4R0.1 C=CC(=O)Cl A104614 [1,0,0,0,0,0|1,0,1]=3 333 B4R0.1 C=CC(=O)N A108465 [1,0,0,0,0,0|1,0,1]=3 334 B4R0.1 C=CC(=O)N A108466 [1,0,0,0,0,0|1,0,1]=3 335 B4R0.1 C=CC(=O)N A108467 [1,0,0,0,0,0|1,0,1]=3 336 B4R0.1 C=CC(=O)N A108468 [1,0,0,0,0,0|1,0,1]=3 337 B4R0.1 C=CC(=O)N A108469 [1,0,0,0,0,0|1,0,1]=3 338 B4R0.1 C=CC(=O)N A108470 [1,0,0,0,0,0|1,0,1]=3 339 B4R0.1 C=CC(=O)N A353801 [1,0,0,0,0,0|1,0,1]=3 340 B4R0.1 C=CC(=O)N P108471 [1,0,0,0,0,0|1,0,1]=3 341 B4R0.1 C=CC(=O)N P434410 [1,0,0,0,0,0|1,0,1]=3 342 B4R0.1 C=CC(=O)N P434411 [1,0,0,0,0,0|1,0,1]=3 343 B4R0.1 C=CC(=O)N P477438 [1,0,0,0,0,0|1,0,1]=3 344 B4R0.1 C=CC(=O)O A103525 [1,0,0,0,0,0|0,0,1]=2 345 B4R0.1 C=CC(=O)O A103526 [1,0,0,0,0,0|0,0,1]=2 346 B4R0.1 C=CC(=O)O A397753 [1,0,0,0,0,0|0,0,1]=2 347 B4R0.1 C=CC(=O)O A434196 [1,0,0,0,0,0|0,0,1]=2 348 B4R0.1 C=CC(=O)O A615488 [1,0,0,0,0,0|0,0,1]=2 349 B4R0.1 C=CC(=O)O P104270 [1,0,0,0,0,0|0,0,1]=2 350 B4R0.1 C=CC(=O)O P104272 [1,0,0,0,0,0|0,0,1]=2 351 B4R0.1 C=CC(=O)O P131657 [1,0,0,0,0,0|0,0,1]=2 352 B4R0.1 C=CC(=O)O P131658 [1,0,0,0,0,0|0,0,1]=2 353 B4R0.1 C=CC(=O)O P131659 [1,0,0,0,0,0|0,0,1]=2 354 B4R0.1 C=CC(=O)O P299190 [1,0,0,0,0,0|0,0,1]=2 355 B4R0.1 C=CC(=O)O P404949 [1,0,0,0,0,0|0,0,1]=2 356 B4R0.1 C=CC(=O)O P639633 [1,0,0,0,0,0|0,0,1]=2 357 B4R0.1 C=CC(=O)[O-] M304023 [1,0,0,0,0,0|0,0,2]=3 358 B4R0.1 C=CC(=O)[O-] P304873 [1,0,0,0,0,0|0,0,2]=3 359 B4R0.1 C=CC(=O)[O-] P434406 [1,0,0,0,0,0|0,0,2]=3 360 B4R0.1 C=CC(=O)[O-] P434407 [1,0,0,0,0,0|0,0,2]=3 361 B4R0.1 C=CC(=O)[O-] P434408 [1,0,0,0,0,0|0,0,2]=3 362 B4R0.1 C=CC(=O)[O-] P434409 [1,0,0,0,0,0|0,0,2]=3 363 B4R0.1 C=CC(=O)[O-] S108368 [1,0,0,0,0,0|0,0,2]=3 364 B4R0.1 C=CC(=O)[O-] S165277 [1,0,0,0,0,0|0,0,2]=3 365 B4R0.1 C=CC(=O)[O-] S298808 [1,0,0,0,0,0|0,0,2]=3 366 B4R0.1 C=CC(=O)[O-] S304539 [1,0,0,0,0,0|0,0,2]=3 367 B4R0.1 C=CC(=O)[O-] S434405 [1,0,0,0,0,0|0,0,2]=3 368 B4R0.1 C=CC(=O)[O-] Z472262 [1,0,0,0,0,0|0,0,2]=3 369 B4R0.1 CC(=C)C#C M189215 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|1,0,0]=2 371 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|1,0,0]=2 372 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|1,0,1]=3 376 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|2,0,0]=3 377 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|2,0,0]=3 378 B4R0.1 CC(=NN)N A193172 [1,0,0,0,0,0|3,0,0]=4 379 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|2,0,0]=3 380 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|2,0,0]=3 381 B4R0.1 CC(=O)C#C B101576 [1,0,0,0,0,0|1,0,1]=3 382 B4R0.1 CC(=O)C#N P466890 [1,0,0,0,0,0|1,0,1]=3 383 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|0,0,0]=1 384 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|0,0,0]=1 385 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|1,0,1]=3 386 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|1,0,1]=3 387 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|1,0,1]=3 388 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|0,0,1]=2 389 B4R0.1 CC(=O)NBr N159711 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|2,0,0]=3 391 B4R0.1 CC(=O)NN A151537 [1,0,0,0,0,0|2,0,0]=3 392 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|1,0,0]=2 393 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|2,0,0]=3 394 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|2,0,0]=3 395 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|2,0,0]=3 396 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|2,0,0]=3 397 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|2,0,0]=3 398 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|2,0,0]=3 399 B4R0.1 CC(=O)O[Al] A283286 [1,0,0,0,0,0|2,0,0]=3 400 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|2,0,0]=3 401 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|1,0,1]=3 402 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|1,0,1]=3 403 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|1,0,1]=3 404 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|1,0,2]=4 405 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|1,0,2]=4 406 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|1,0,2]=4 407 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|1,0,2]=4 408 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|1,0,2]=4 409 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|1,0,2]=4 410 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|1,0,2]=4 411 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|1,0,2]=4 412 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|1,0,2]=4 415 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,0,2]=4 416 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,0,2]=4 417 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,0,2]=4 418 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,0,2]=4 419 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|0,0,3]=4 420 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|0,0,3]=4 421 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|0,0,3]=4 422 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|0,0,3]=4 423 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|0,0,3]=4 424 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|0,0,3]=4 425 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|0,0,3]=4 426 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|2,0,0]=3 427 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|2,0,0]=3 428 B4R0.1 CC=C(Cl)Cl D128125 [1,0,0,0,0,0|2,0,0]=3 429 B4R0.1 CCC(=N)N P588869 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.1 CCC(=O)Br P107847 [1,0,0,0,0,0|1,0,1]=3 431 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|1,0,1]=3 432 B4R0.1 CCC(=O)Cl P108665 [1,0,0,0,0,0|1,0,1]=3 433 B4R0.1 CCC(=O)N P104016 [1,0,0,0,0,0|1,0,1]=3 434 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|0,0,1]=2 435 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|0,0,1]=2 436 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|0,0,1]=2 437 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|0,0,1]=2 438 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|0,0,1]=2 439 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|0,0,1]=2 440 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|0,0,1]=2 441 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|0,0,1]=2 442 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|0,0,1]=2 443 B4R0.1 CCC(=O)[O-] C112470 [1,0,0,0,0,0|0,0,2]=3 444 B4R0.1 CCC(=O)[O-] C112471 [1,0,0,0,0,0|0,0,2]=3 445 B4R0.1 CCC(=O)[O-] C492256 [1,0,0,0,0,0|0,0,2]=3 446 B4R0.1 CCC(=O)[O-] P160177 [1,0,0,0,0,0|0,0,2]=3 447 B4R0.1 CCC(=O)[O-] S100120 [1,0,0,0,0,0|0,0,2]=3 448 B4R0.1 CCC(=O)[O-] S100121 [1,0,0,0,0,0|0,0,2]=3 449 B4R0.1 CCC(=O)[O-] S100122 [1,0,0,0,0,0|0,0,2]=3 450 B4R0.1 CCC(=O)[O-] S346177 [1,0,0,0,0,0|0,0,2]=3 451 B4R0.1 CCC(=O)[O-] Z346699 [1,0,0,0,0,0|0,0,2]=3 452 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|1,0,2]=4 453 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|1,0,2]=4 454 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|1,0,2]=4 455 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|1,0,2]=4 456 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|1,0,2]=4 457 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|1,0,2]=4 458 B4R0.1 CCS(=O)[O-] S182544 [1,0,0,0,0,0|1,0,2]=4 459 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|2,0,0]=3 460 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|2,0,0]=3 461 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|2,0,0]=3 462 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|2,0,0]=3 463 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|2,0,0]=3 464 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|2,0,0]=3 465 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|2,0,0]=3 466 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|2,0,0]=3 467 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|2,0,0]=3 468 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|2,0,0]=3 469 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|2,0,0]=3 470 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|2,0,0]=3 471 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|2,0,0]=3 472 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|2,1,0]=4 473 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|3,0,0]=4 474 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|3,0,0]=4 475 B4R0.1 CN=C(N)N M133119 [1,0,0,0,0,0|3,0,0]=4 476 B4R0.1 CN=C(N)N M158240 [1,0,0,0,0,0|3,0,0]=4 477 B4R0.1 CN=C(N)N M473051 [1,0,0,0,0,0|3,0,0]=4 478 B4R0.1 CNC(=O)Cl M304270 [1,0,0,0,0,0|2,0,0]=3 479 B4R0.1 CNC(=O)N M107951 [1,0,0,0,0,0|2,0,0]=3 480 B4R0.1 CNC(=S)N M102026 [1,0,0,0,0,0|2,1,0]=4 481 B4R0.1 CNC(=S)[S-] M137665 [1,0,0,0,0,0|1,2,0]=4 482 B4R0.1 COC(=N)N O159961 [1,0,0,0,0,0|3,0,0]=4 483 B4R0.1 COC(=N)N O299457 [1,0,0,0,0,0|3,0,0]=4 484 B4R0.1 COC(=O)N M110332 [1,0,0,0,0,0|2,0,0]=3 485 B4R0.1 CSC(=N)N M108041 [1,0,0,0,0,0|3,0,0]=4 486 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|3,0,0]=4 487 B4R0.1 N(=O)[N+](=O)[O-] A332354 [1,0,0,0,0,0|2,0,1]=4 488 B4R0.1 NC(=O)NO H408867 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.3 C(=O)(C(=O)NN)N O138938 [0,1,0,0,0,0|2,0,0]=3 490 B6R0.3 C(C(=O)C(=O)O)Br B120321 [0,1,0,0,0,0|0,0,0]=1 491 B6R0.3 C(C(=O)C(=O)O)O H276063 [0,1,0,0,0,0|0,0,0]=1 492 B6R0.3 C(C(=O)C(=O)[O-])F F168911 [0,1,0,0,0,0|0,0,1]=2 493 B6R0.3 C(C(=O)C(Cl)Cl)Cl T161564 [0,1,0,0,0,0|2,0,1]=4 494 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [0,1,0,0,0,0|2,0,1]=4 495 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [0,1,0,0,0,0|2,0,1]=4 496 B6R0.3 C(C(C(=O)N)Br)Br D122847 [0,1,0,0,0,0|2,0,1]=4 497 B6R0.3 C(C(C(=O)N)N)O S134102 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,1,0,0,0,0|1,0,1]=3 499 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,1,0,0,0,0|1,0,1]=3 500 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,1,0,0,0,0|1,0,1]=3 501 B6R0.3 C(C(C(=O)O)N)N D102444 [0,1,0,0,0,0|1,0,1]=3 502 B6R0.3 C(C(C(=O)O)N)N D102445 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.3 C(C(C(=O)O)N)N O105987 [0,1,0,0,0,0|1,0,1]=3 504 B6R0.3 C(C(C(=O)O)N)N S161147 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.3 C(C(C(=O)O)N)O D423121 [0,1,0,0,0,0|1,0,1]=3 506 B6R0.3 C(C(C(=O)O)N)O D423225 [0,1,0,0,0,0|1,0,1]=3 507 B6R0.3 C(C(C(=O)O)N)O L424779 [0,1,0,0,0,0|1,0,1]=3 508 B6R0.3 C(C(C(=O)O)N)O L476400 [0,1,0,0,0,0|1,0,1]=3 509 B6R0.3 C(C(C(=O)O)N)O S103483 [0,1,0,0,0,0|1,0,1]=3 510 B6R0.3 C(C(C(=O)O)N)O S105977 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.3 C(C(C(=O)O)N)O S108219 [0,1,0,0,0,0|1,0,1]=3 512 B6R0.3 C(C(C(=O)O)N)O S118658 [0,1,0,0,0,0|1,0,1]=3 513 B6R0.3 C(C(C(=O)O)N)O S137887 [0,1,0,0,0,0|1,0,1]=3 514 B6R0.3 C(C(C(=O)O)N)O S137888 [0,1,0,0,0,0|1,0,1]=3 515 B6R0.3 C(C(C(=O)O)N)O S432938 [0,1,0,0,0,0|1,0,1]=3 516 B6R0.3 C(C(C(=O)O)N)S C108237 [0,1,0,0,0,0|1,0,1]=3 517 B6R0.3 C(C(C(=O)O)N)S C108238 [0,1,0,0,0,0|1,0,1]=3 518 B6R0.3 C(C(C(=O)O)N)S C110184 [0,1,0,0,0,0|1,0,1]=3 519 B6R0.3 C(C(C(=O)O)N)S C110436 [0,1,0,0,0,0|1,0,1]=3 520 B6R0.3 C(C(C(=O)O)N)S C110437 [0,1,0,0,0,0|1,0,1]=3 521 B6R0.3 C(C(C(=O)O)N)S C113143 [0,1,0,0,0,0|1,0,1]=3 522 B6R0.3 C(C(C(=O)O)N)S C118575 [0,1,0,0,0,0|1,0,1]=3 523 B6R0.3 C(C(C(=O)O)N)S D304972 [0,1,0,0,0,0|1,0,1]=3 524 B6R0.3 C(C(C(=O)O)N)S L424532 [0,1,0,0,0,0|1,0,1]=3 525 B6R0.3 C(C(C(=O)O)N)S L424534 [0,1,0,0,0,0|1,0,1]=3 526 B6R0.3 C(C(C(=O)O)N)S L432833 [0,1,0,0,0,0|1,0,1]=3 527 B6R0.3 C(C(C(=O)O)N)S S161428 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.3 C(C(C(=O)O)N)S S588042 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.3 C(C(C(=O)O)O)N I123583 [0,1,0,0,0,0|0,0,2]=3 530 B6R0.3 C(C(C(=O)O)O)N S137278 [0,1,0,0,0,0|0,0,2]=3 531 B6R0.3 C(C(C(=O)O)O)O D278734 [0,1,0,0,0,0|0,0,2]=3 532 B6R0.3 C=C(CBr)C(=O)O B137347 [0,1,0,0,0,0|1,0,0]=2 533 B6R0.3 CC(=C)C(=O)NC N159439 [0,1,0,0,0,0|2,0,0]=3 534 B6R0.3 CC(=C)C(=O)NC N563684 [0,1,0,0,0,0|2,0,0]=3 535 B6R0.3 CC(=C)C(=O)OC M109623 [0,1,0,0,0,0|1,0,0]=2 536 B6R0.3 CC(=C)C(=O)OC M109626 [0,1,0,0,0,0|1,0,0]=2 537 B6R0.3 CC(=C)C(=O)OC M109629 [0,1,0,0,0,0|1,0,0]=2 538 B6R0.3 CC(=C)C(=O)OC P141442 [0,1,0,0,0,0|1,0,0]=2 539 B6R0.3 CC(=C)C(=O)OC P141443 [0,1,0,0,0,0|1,0,0]=2 540 B6R0.3 CC(=C)C(=O)OC P141444 [0,1,0,0,0,0|1,0,0]=2 541 B6R0.3 CC(=C)C(=O)OC P434521 [0,1,0,0,0,0|1,0,0]=2 542 B6R0.3 CC(=C)C(=O)OC P434523 [0,1,0,0,0,0|1,0,0]=2 543 B6R0.3 CC(=C)C(=O)OC P434524 [0,1,0,0,0,0|1,0,0]=2 544 B6R0.3 CC(=C)C(=O)OC P478276 [0,1,0,0,0,0|1,0,0]=2 545 B6R0.3 CC(=C)C(=O)OC P598682 [0,1,0,0,0,0|1,0,0]=2 546 B6R0.3 CC(=NO)C(=O)C D111028 [0,1,0,0,0,0|1,0,0]=2 547 B6R0.3 CC(=NO)C(=O)C D111029 [0,1,0,0,0,0|1,0,0]=2 548 B6R0.3 CC(=O)C(=O)CBr B185016 [0,1,0,0,0,0|1,0,0]=2 549 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,0,0,0,0|0,0,0]=1 550 B6R0.3 CC(=O)N(C)C=C N124471 [0,1,0,0,0,0|3,0,0]=4 551 B6R0.3 CC(=O)N(C)OC N159405 [0,1,0,0,0,0|2,0,0]=3 552 B6R0.3 CC(C(=O)NC)N L354750 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.3 CC(C(=O)O)NC I133832 [0,1,0,0,0,0|1,0,1]=3 554 B6R0.3 CC(C(=O)O)NC I135858 [0,1,0,0,0,0|1,0,1]=3 555 B6R0.3 CC(C(=O)O)NC N303350 [0,1,0,0,0,0|1,0,1]=3 556 B6R0.3 CC(C(=O)O)OC M193402 [0,1,0,0,0,0|0,0,2]=3 557 B6R0.3 CC(C(=O)O)OC P477810 [0,1,0,0,0,0|0,0,2]=3 558 B6R0.3 CC(C(=O)OC)Br M117975 [0,1,0,0,0,0|1,0,1]=3 559 B6R0.3 CC(C(=O)OC)Cl M102467 [0,1,0,0,0,0|1,0,1]=3 560 B6R0.3 CC(C(=O)OC)Cl M110142 [0,1,0,0,0,0|1,0,1]=3 561 B6R0.3 CC(C(=O)OC)Cl M158574 [0,1,0,0,0,0|1,0,1]=3 562 B6R0.3 CC(C(=O)OC)N A100771 [0,1,0,0,0,0|1,0,1]=3 563 B6R0.3 CC(C(=O)OC)N A100815 [0,1,0,0,0,0|1,0,1]=3 564 B6R0.3 CC(C(=O)OC)N A116955 [0,1,0,0,0,0|1,0,1]=3 565 B6R0.3 CC(C(=O)OC)O M132799 [0,1,0,0,0,0|0,0,2]=3 566 B6R0.3 CC(C(=O)OC)O M158257 [0,1,0,0,0,0|0,0,2]=3 567 B6R0.3 CC(C(=O)OC)O M158854 [0,1,0,0,0,0|0,0,2]=3 568 B6R0.3 CC(C)C(=O)OC M100041 [0,1,0,0,0,0|1,0,1]=3 569 B6R0.3 CC(C=C)C(=O)O M404731 [0,1,0,0,0,0|1,0,1]=3 570 B6R0.3 CC(CBr)C(=O)O B135992 [0,1,0,0,0,0|1,0,1]=3 571 B6R0.3 CC(CN)C(=O)O D131745 [0,1,0,0,0,0|1,0,1]=3 572 B6R0.3 CC(CN)C(=O)O R340811 [0,1,0,0,0,0|1,0,1]=3 573 B6R0.3 CC(CN)C(=O)O S340803 [0,1,0,0,0,0|1,0,1]=3 574 B6R0.3 CC(CO)C(=O)O R343446 [0,1,0,0,0,0|0,0,2]=3 575 B6R0.3 CC(CS)C(=O)O M158216 [0,1,0,0,0,0|0,1,1]=3 576 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,0,0,0,0|2,0,0]=3 577 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,0,0,0,0|2,0,0]=3 578 B6R0.3 CC=C(C)C(=O)Cl T161611 [0,1,0,0,0,0|2,0,0]=3 579 B6R0.3 CC=C(C)C(=O)O B137277 [0,1,0,0,0,0|1,0,0]=2 580 B6R0.3 CC=C(C)C(=O)O T107164 [0,1,0,0,0,0|1,0,0]=2 581 B6R0.3 CCC(=C)C(=O)O E477290 [0,1,0,0,0,0|1,0,0]=2 582 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,0,0,0,0|1,0,0]=2 583 B6R0.3 CCC(=O)C(=O)O K106253 [0,1,0,0,0,0|0,0,0]=1 584 B6R0.3 CCC(=O)C(=O)[O-] S161412 [0,1,0,0,0,0|0,0,1]=2 585 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.3 CCC(=O)N(C)C D128096 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.3 CCC(C(=O)Br)Br B135808 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.3 CCC(C(=O)C)S M102973 [0,1,0,0,0,0|1,1,1]=4 589 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,1,0,0,0,0|2,0,1]=4 591 B6R0.3 CCC(C(=O)N)Cl B301389 [0,1,0,0,0,0|2,0,1]=4 592 B6R0.3 CCC(C(=O)N)N A119770 [0,1,0,0,0,0|2,0,1]=4 593 B6R0.3 CCC(C(=O)N)N A124384 [0,1,0,0,0,0|2,0,1]=4 594 B6R0.3 CCC(C(=O)O)Br B108037 [0,1,0,0,0,0|1,0,1]=3 595 B6R0.3 CCC(C(=O)O)Cl C153465 [0,1,0,0,0,0|1,0,1]=3 596 B6R0.3 CCC(C(=O)O)Cl S161173 [0,1,0,0,0,0|1,0,1]=3 597 B6R0.3 CCC(C(=O)O)N A109788 [0,1,0,0,0,0|1,0,1]=3 598 B6R0.3 CCC(C(=O)O)N A111241 [0,1,0,0,0,0|1,0,1]=3 599 B6R0.3 CCC(C(=O)O)N A111260 [0,1,0,0,0,0|1,0,1]=3 600 B6R0.3 CCC(C(=O)O)N A414642 [0,1,0,0,0,0|1,0,1]=3 601 B6R0.3 CCC(C(=O)O)N D422924 [0,1,0,0,0,0|1,0,1]=3 602 B6R0.3 CCC(C(=O)O)O D298806 [0,1,0,0,0,0|0,0,2]=3 603 B6R0.3 CCC(C(=O)O)O S192800 [0,1,0,0,0,0|0,0,2]=3 604 B6R0.3 CCC(C(=O)[O-])O H101414 [0,1,0,0,0,0|0,0,3]=4 605 B6R0.3 CCC(C)C(=O)C M158800 [0,1,0,0,0,0|2,0,1]=4 606 B6R0.3 CCC(C)C(=O)O I167890 [0,1,0,0,0,0|1,0,1]=3 607 B6R0.3 CCC(C)C(=O)O M107377 [0,1,0,0,0,0|1,0,1]=3 608 B6R0.3 CCN(C)C(=O)C N193140 [0,1,0,0,0,0|3,0,0]=4 609 B6R0.3 CCN(C)C(=O)Cl N159123 [0,1,0,0,0,0|3,0,0]=4 610 B6R0.3 CN(C(=O)N)N=O N136701 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|3,0,0]=4 612 B6R0.3 CN(C)C(=O)CBr B185138 [0,1,0,0,0,0|3,0,0]=4 613 B6R0.3 CN(C)C(=O)CCl C107991 [0,1,0,0,0,0|3,0,0]=4 614 B6R0.3 CN(C)C(=O)CN A182307 [0,1,0,0,0,0|3,0,0]=4 615 B6R0.3 CN(C)C(=O)CO H587302 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.3 CNC(=O)C(=O)O M588605 [0,1,0,0,0,0|0,0,0]=1 617 B6R0.3 CNC(=O)N(C)C T348049 [0,1,0,0,0,0|3,0,0]=4 618 B6R0.3 COC(=O)C(=C)Br M193464 [0,1,0,0,0,0|1,0,1]=3 619 B6R0.3 COC(=O)C(=C)Cl M158644 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.3 COC(=O)C(=C)F M138536 [0,1,0,0,0,0|1,0,1]=3 621 B6R0.3 COC(=O)C(=N)N M589620 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.3 COC(=O)C(=O)Cl M111140 [0,1,0,0,0,0|1,0,0]=2 623 B6R0.3 COC(=O)C(Cl)Cl M106416 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.3 COC(=O)C(F)F M158796 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,1,0,0,0,0|1,0,1]=3 626 B6R0.7 C(=O)(C(Br)(Br)Br)O T162118 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291704 [0,1,0,0,0,0|2,0,1]=4 628 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291705 [0,1,0,0,0,0|2,0,1]=4 629 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291706 [0,1,0,0,0,0|2,0,1]=4 630 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291707 [0,1,0,0,0,0|2,0,1]=4 631 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291708 [0,1,0,0,0,0|2,0,1]=4 632 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291709 [0,1,0,0,0,0|2,0,1]=4 633 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291711 [0,1,0,0,0,0|2,0,1]=4 634 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291716 [0,1,0,0,0,0|2,0,1]=4 635 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291717 [0,1,0,0,0,0|2,0,1]=4 636 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O A291718 [0,1,0,0,0,0|2,0,1]=4 637 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T104257 [0,1,0,0,0,0|2,0,1]=4 638 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T104261 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T433650 [0,1,0,0,0,0|2,0,1]=4 640 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T433651 [0,1,0,0,0,0|2,0,1]=4 641 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O T433652 [0,1,0,0,0,0|2,0,1]=4 642 B6R0.7 C(=O)(C(F)(F)Cl)O C102106 [0,1,0,0,0,0|2,0,1]=4 643 B6R0.7 C(=O)(C(F)(F)F)O A485236 [0,1,0,0,0,0|2,0,1]=4 644 B6R0.7 C(=O)(C(F)(F)F)O B433654 [0,1,0,0,0,0|2,0,1]=4 645 B6R0.7 C(=O)(C(F)(F)F)O P303764 [0,1,0,0,0,0|2,0,1]=4 646 B6R0.7 C(=O)(C(F)(F)F)O R118543 [0,1,0,0,0,0|2,0,1]=4 647 B6R0.7 C(=O)(C(F)(F)F)O T103291 [0,1,0,0,0,0|2,0,1]=4 648 B6R0.7 C(=O)(C(F)(F)F)O T103292 [0,1,0,0,0,0|2,0,1]=4 649 B6R0.7 C(=O)(C(F)(F)F)O T103293 [0,1,0,0,0,0|2,0,1]=4 650 B6R0.7 C(=O)(C(F)(F)F)O T103294 [0,1,0,0,0,0|2,0,1]=4 651 B6R0.7 C(=O)(C(F)(F)F)O T103295 [0,1,0,0,0,0|2,0,1]=4 652 B6R0.7 C(=O)(C(F)(F)F)O T103296 [0,1,0,0,0,0|2,0,1]=4 653 B6R0.7 C(=O)(C(F)(F)F)O T109782 [0,1,0,0,0,0|2,0,1]=4 654 B6R0.7 C(=O)(C(F)(F)F)O T109783 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.7 C(=O)(C(F)(F)F)O T281759 [0,1,0,0,0,0|2,0,1]=4 656 B6R0.7 C(=O)(C(F)(F)F)O T433657 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.7 C(=O)(C(F)(F)F)O T491258 [0,1,0,0,0,0|2,0,1]=4 658 B6R0.7 C(=O)([O-])P(=O)([O-])[O-] P133387 [0,1,0,0,0,0|2,0,1]=4 659 B6R0.7 CC(=O)C(C)(C)Br B151949 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.7 CC(=O)C(C)(C)C P186447 [0,1,0,0,0,0|2,0,1]=4 661 B6R0.7 CC(=O)C(C)(C)O H138057 [0,1,0,0,0,0|1,0,1]=3 662 B6R0.7 CC(=O)C(Cl)(Cl)Cl T161568 [0,1,0,0,0,0|2,0,1]=4 663 B6R0.7 CC(C(=O)O)(Cl)Cl D114722 [0,1,0,0,0,0|1,0,1]=3 664 B6R0.7 CC(C(=O)O)(Cl)Cl D140875 [0,1,0,0,0,0|1,0,1]=3 665 B6R0.7 CC(C(=O)O)(F)F W135486 [0,1,0,0,0,0|1,0,1]=3 666 B6R0.7 CC(C(=O)[O-])(Cl)Cl S161405 [0,1,0,0,0,0|1,0,2]=4 667 B6R0.7 CC(C(=O)[O-])(F)F S578784 [0,1,0,0,0,0|1,0,2]=4 668 B6R0.7 CC(C)(C(=O)Br)Br B106971 [0,1,0,0,0,0|2,0,1]=4 669 B6R0.7 CC(C)(C(=O)N)Br B152951 [0,1,0,0,0,0|2,0,1]=4 670 B6R0.7 CC(C)(C(=O)N)O H156960 [0,1,0,0,0,0|1,0,2]=4 671 B6R0.7 CC(C)(C(=O)O)Br B106968 [0,1,0,0,0,0|1,0,1]=3 672 B6R0.7 CC(C)(C(=O)O)N A117156 [0,1,0,0,0,0|1,0,1]=3 673 B6R0.7 CC(C)(C(=O)O)O H113439 [0,1,0,0,0,0|0,0,2]=3 674 B6R0.7 CC(C)(C(=O)O)O H474834 [0,1,0,0,0,0|0,0,2]=3 675 B6R0.7 CC(C)(C)C(=O)N P160454 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.7 CC(C)(C)C(=O)O P101329 [0,1,0,0,0,0|1,0,1]=3 677 B6R0.7 CC(C)(C)C(=O)[O-] C153540 [0,1,0,0,0,0|1,0,2]=4 678 B6R0.7 CC(C)(C)C(=O)[O-] P299607 [0,1,0,0,0,0|1,0,2]=4 679 B6R0.7 CC(C)(C)C(=O)[O-] S160973 [0,1,0,0,0,0|1,0,2]=4 680 B6R0.7 CC(C)(C)C(=O)[O-] S302271 [0,1,0,0,0,0|1,0,2]=4 681 B6R0.7 CC(C)(C)C(=O)[O-] Z587448 [0,1,0,0,0,0|1,0,2]=4 682 B6R0.7 [O-]C(=O)[P]([O-])([O-])=O F408966 [0,1,0,0,0,0|2,0,1]=4 683 B6R1.11 C1CC1C(=O)Cl C133840 [0,0,0,1,0,0|2,0,1]=4 684 B6R1.11 C1CC1C(=O)N C134392 [0,0,0,1,0,0|2,0,1]=4 685 B6R1.11 C1CC1C(=O)O C106979 [0,0,0,1,0,0|1,0,1]=3 686 B6R1.11 CC(=O)C1CC1 C108050 [0,0,0,1,0,0|2,0,1]=4 687 B6R0.2 B(C=C(C)C)(O)O M587289 [0,0,0,0,0,1|2,0,1]=4 688 B6R0.2 C(=NC(=O)N)(N)N C358805 [0,0,0,0,0,1|3,0,0]=4 689 B6R0.2 C(=NC(=O)N)(N)N G156819 [0,0,0,0,0,1|3,0,0]=4 690 B6R0.2 C(=O)(N)NC(=O)N B111665 [0,0,0,0,0,1|2,0,0]=3 691 B6R0.2 C(=O)(N)NC(=O)N B111666 [0,0,0,0,0,1|2,0,0]=3 692 B6R0.2 C(=O)(N)NC(=O)N B196397 [0,0,0,0,0,1|2,0,0]=3 693 B6R0.2 C(C(=N)N)C(=O)N A136566 [0,0,0,0,0,1|3,0,0]=4 694 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,0,0,0,0,1|2,0,0]=3 695 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,0,0,0,0,1|2,0,0]=3 696 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,0,0,0,0,1|1,0,0]=2 697 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,0,0,0,0,1|1,0,0]=2 698 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,0,0,0,0,1|1,0,0]=2 699 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,0,0,0,0,1|1,0,0]=2 700 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,0,0,0,0,1|1,0,0]=2 701 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,0,0,0,0,1|1,0,1]=3 702 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,0,0,0,0,1|1,0,1]=3 703 B6R0.2 CC(=C)OC(=O)C I108612 [0,0,0,0,0,1|2,0,0]=3 704 B6R0.2 CC(=CC(=O)C)C M105926 [0,0,0,0,0,1|2,0,0]=3 705 B6R0.2 CC(=CC(=O)C)C M105927 [0,0,0,0,0,1|2,0,0]=3 706 B6R0.2 CC(=CC(=O)C)C M105928 [0,0,0,0,0,1|2,0,0]=3 707 B6R0.2 CC(=CC(=O)C)N F156686 [0,0,0,0,0,1|2,0,0]=3 708 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,0,1|1,0,0]=2 709 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,0,1|1,0,0]=2 710 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,0,1|1,0,0]=2 711 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,0,1|1,0,0]=2 712 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,0,1|1,0,0]=2 713 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,0,1|1,0,0]=2 714 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,0,1|1,0,0]=2 715 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,0,1|1,0,0]=2 716 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,0,1|1,0,0]=2 717 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,0,1|1,0,0]=2 718 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,0,1|1,0,0]=2 719 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,0,1|1,0,0]=2 720 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,0,1|1,0,0]=2 721 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,0,1|1,0,0]=2 722 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,0,1|1,0,0]=2 723 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,0,1|1,0,0]=2 724 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,0,1|1,0,0]=2 725 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,0,1|1,0,0]=2 726 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,0,1|1,0,0]=2 727 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,0,1|1,0,0]=2 728 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,0,1|1,0,0]=2 729 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,0,1|1,0,0]=2 730 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,0,1|1,0,0]=2 731 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,0,1|1,0,0]=2 732 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,0,1|1,0,0]=2 733 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,0,1|1,0,0]=2 734 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,0,1|1,0,0]=2 735 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,0,1|1,0,0]=2 736 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,0,1|1,0,0]=2 737 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,0,1|1,0,0]=2 738 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,0,1|1,0,0]=2 739 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,0,1|1,0,0]=2 740 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,0,1|1,0,0]=2 741 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,0,0,0,0,1|1,0,1]=3 742 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,0,0,0,0,1|1,0,1]=3 743 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,0,0,0,0,1|1,0,1]=3 744 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,0,0,0,0,1|1,0,1]=3 745 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,0,0,0,0,1|1,0,1]=3 746 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,0,0,0,0,1|1,0,1]=3 747 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,0,0,0,0,1|1,0,1]=3 748 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,0,0,0,0,1|1,0,1]=3 749 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,0,0,0,0,1|1,0,1]=3 750 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,0,0,0,0,1|1,0,1]=3 751 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,0,0,0,0,1|1,0,1]=3 752 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,0,0,0,0,1|1,0,1]=3 753 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,0,0,0,0,1|1,0,1]=3 754 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,0,0,0,0,1|1,0,1]=3 755 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,0,0,0,0,1|1,0,1]=3 756 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,0,0,0,0,1|1,0,1]=3 757 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,0,0,0,0,1|1,0,1]=3 758 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,0,0,0,0,1|1,0,1]=3 759 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,0,0,0,0,1|1,0,1]=3 760 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,0,0,0,0,1|2,0,0]=3 761 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,0,1|1,0,0]=2 762 B6R0.2 CC(=O)CC(=O)C A110366 [0,0,0,0,0,1|1,0,0]=2 763 B6R0.2 CC(=O)CC(=O)C A110367 [0,0,0,0,0,1|1,0,0]=2 764 B6R0.2 CC(=O)CC(=O)C A110370 [0,0,0,0,0,1|1,0,0]=2 765 B6R0.2 CC(=O)CC(=O)N A194123 [0,0,0,0,0,1|1,0,0]=2 766 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,0,0,0,0,1|0,0,1]=2 767 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,0,0,0,0,1|0,0,1]=2 768 B6R0.2 CC(=O)CN(C)C D167514 [0,0,0,0,0,1|3,0,0]=4 769 B6R0.2 CC(=O)N=C(N)N A134062 [0,0,0,0,0,1|2,0,0]=3 770 B6R0.2 CC(=O)NC(=O)N A114125 [0,0,0,0,0,1|1,0,0]=2 771 B6R0.2 CC(=O)NC(=S)N A151428 [0,0,0,0,0,1|1,1,0]=3 772 B6R0.2 CC(=O)OC(=O)C A302240 [0,0,0,0,0,1|1,0,0]=2 773 B6R0.2 CC(=O)OC(=O)C A474130 [0,0,0,0,0,1|1,0,0]=2 774 B6R0.2 CC(=O)SC(=O)C A151355 [0,0,0,0,0,1|1,0,0]=2 775 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,0,0,0,0,1|1,0,0]=2 776 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,0,0,0,0,1|1,0,0]=2 777 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,0,0,0,0,1|1,0,2]=4 778 B6R0.2 CC(C)CC(=O)C M108736 [0,0,0,0,0,1|2,0,1]=4 779 B6R0.2 CC(C)CC(=O)C M108737 [0,0,0,0,0,1|2,0,1]=4 780 B6R0.2 CC(C)CC(=O)C M108738 [0,0,0,0,0,1|2,0,1]=4 781 B6R0.2 CC(C)CC(=O)C M108740 [0,0,0,0,0,1|2,0,1]=4 782 B6R0.2 CC(C)CC(=O)C M108741 [0,0,0,0,0,1|2,0,1]=4 783 B6R0.2 CC(C)CC(=O)C M492092 [0,0,0,0,0,1|2,0,1]=4 784 B6R0.2 CC(C)CC(=O)Cl I157679 [0,0,0,0,0,1|2,0,1]=4 785 B6R0.2 CC(C)CC(=O)O I108280 [0,0,0,0,0,1|1,0,1]=3 786 B6R0.2 CC(C)CC(=O)O I108281 [0,0,0,0,0,1|1,0,1]=3 787 B6R0.2 CC(C)CC(=O)O I424338 [0,0,0,0,0,1|1,0,1]=3 788 B6R0.2 CC(C)CC(=O)O I432771 [0,0,0,0,0,1|1,0,1]=3 789 B6R0.2 CC(C)NC(=O)C N586389 [0,0,0,0,0,1|2,0,1]=4 790 B6R0.2 CC(C)OC(=O)C I103453 [0,0,0,0,0,1|2,0,1]=4 791 B6R0.2 CC(C)OC(=O)C I103454 [0,0,0,0,0,1|2,0,1]=4 792 B6R0.2 CC(C)OC(=O)C I103455 [0,0,0,0,0,1|2,0,1]=4 793 B6R0.2 CC(C)OC(=O)N I157610 [0,0,0,0,0,1|2,0,1]=4 794 B6R0.2 CC(CC(=O)O)Br B169132 [0,0,0,0,0,1|1,0,1]=3 795 B6R0.2 CC(CC(=O)O)Cl C153466 [0,0,0,0,0,1|1,0,1]=3 796 B6R0.2 CC(CC(=O)O)N A100948 [0,0,0,0,0,1|1,0,1]=3 797 B6R0.2 CC(CC(=O)O)N H117041 [0,0,0,0,0,1|1,0,1]=3 798 B6R0.2 CC(CC(=O)O)N R184127 [0,0,0,0,0,1|1,0,1]=3 799 B6R0.2 CC(CC(=O)O)N S193074 [0,0,0,0,0,1|1,0,1]=3 800 B6R0.2 CC(CC(=O)O)O P347707 [0,0,0,0,0,1|0,0,2]=3 801 B6R0.2 CC(CC(=O)O)O R304188 [0,0,0,0,0,1|0,0,2]=3 802 B6R0.2 CC(CC(=O)O)O R425172 [0,0,0,0,0,1|0,0,2]=3 803 B6R0.2 CC(CC(=O)O)O S161108 [0,0,0,0,0,1|0,0,2]=3 804 B6R0.2 CC(CC(=O)O)O S194215 [0,0,0,0,0,1|0,0,2]=3 805 B6R0.2 CC(CC(=O)[O-])O B301134 [0,0,0,0,0,1|0,0,3]=4 806 B6R0.2 CC(CC(=O)[O-])O H121822 [0,0,0,0,0,1|0,0,3]=4 807 B6R0.2 CC(CC(=O)[O-])O X131756 [0,0,0,0,0,1|0,0,3]=4 808 B6R0.2 CC(OC(=O)C)Br B303662 [0,0,0,0,0,1|2,0,1]=4 809 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,0,0,0,0,1|2,0,1]=4 810 B6R0.2 CN(C)CC(=O)O D115675 [0,0,0,0,0,1|2,0,0]=3 811 B6R0.2 CN(C)CC(=O)O N159831 [0,0,0,0,0,1|2,0,0]=3 812 B6R0.2 CN(C)CC(=O)O N420632 [0,0,0,0,0,1|2,0,0]=3 813 B3R0.1 C(=C/Cl)/Cl C470392 [2,0,0,0,0,0|2,0,0]=4 814 B3R0.1 C(=C/Cl)/Cl D119830 [2,0,0,0,0,0|2,0,0]=4 815 B3R0.1 C(=CBr)Br D154476 [2,0,0,0,0,0|2,0,0]=4 816 B3R0.1 C(=CCl)Cl D106417 [2,0,0,0,0,0|2,0,0]=4 817 B3R0.1 C(=CCl)Cl D106418 [2,0,0,0,0,0|2,0,0]=4 818 B3R0.1 C(=CCl)Cl D106419 [2,0,0,0,0,0|2,0,0]=4 819 B3R0.1 C(=CCl)Cl D119827 [2,0,0,0,0,0|2,0,0]=4 820 B3R0.1 C(=CCl)Cl D128118 [2,0,0,0,0,0|2,0,0]=4 821 B3R0.1 C(=CCl)Cl D294828 [2,0,0,0,0,0|2,0,0]=4 822 B3R0.1 C(=CCl)Cl D303936 [2,0,0,0,0,0|2,0,0]=4 823 B3R0.1 C(=CCl)Cl T278880 [2,0,0,0,0,0|2,0,0]=4 824 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|0,0,0]=2 825 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|0,0,0]=2 826 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|0,0,0]=2 827 B3R0.1 C(=O)NN F109757 [2,0,0,0,0,0|2,0,0]=4 828 B3R0.1 C=CC=C P476125 [2,0,0,0,0,0|1,0,1]=4 829 B3R0.1 C=CC=C P478063 [2,0,0,0,0,0|1,0,1]=4 830 B3R0.1 C=CC=C P478297 [2,0,0,0,0,0|1,0,1]=4 831 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|0,0,1]=3 832 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,0]=3 833 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,0]=3 834 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|1,0,0]=3 835 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,1]=3 836 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,1]=3 837 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,0,2]=4 838 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,0,2]=4 839 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,0,2]=4 840 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,0,2]=4 841 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,0,2]=4 842 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,0,2]=4 843 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,0,2]=4 844 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,0,2]=4 845 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,0,2]=4 846 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,0,1]=4 847 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|1,0,0]=3 848 B3R0.1 COC=C P304875 [2,0,0,0,0,0|2,0,0]=4 849 B3R0.2 B(C)(O)O M120271 [2,0,0,0,0,0|1,0,1]=4 850 B3R0.2 C(=O)(N)N H106855 [2,0,0,0,0,0|2,0,0]=4 851 B3R0.2 C(=O)(N)N U101479 [2,0,0,0,0,0|2,0,0]=4 852 B3R0.2 C(=O)(N)N U101481 [2,0,0,0,0,0|2,0,0]=4 853 B3R0.2 C(=O)(N)N U111897 [2,0,0,0,0,0|2,0,0]=4 854 B3R0.2 C(=O)(N)N U111898 [2,0,0,0,0,0|2,0,0]=4 855 B3R0.2 C(=O)(N)N U111899 [2,0,0,0,0,0|2,0,0]=4 856 B3R0.2 C(=O)(N)N U111901 [2,0,0,0,0,0|2,0,0]=4 857 B3R0.2 C(=O)(N)N U111902 [2,0,0,0,0,0|2,0,0]=4 858 B3R0.2 C(=O)(N)N U111903 [2,0,0,0,0,0|2,0,0]=4 859 B3R0.2 C(=O)(N)N U111904 [2,0,0,0,0,0|2,0,0]=4 860 B3R0.2 C(=O)(N)N U119692 [2,0,0,0,0,0|2,0,0]=4 861 B3R0.2 C(=O)(N)N U141075 [2,0,0,0,0,0|2,0,0]=4 862 B3R0.2 C(=O)(N)N U304906 [2,0,0,0,0,0|2,0,0]=4 863 B3R0.2 C(=O)(N)N U424822 [2,0,0,0,0,0|2,0,0]=4 864 B3R0.2 C(=O)(N)N U471932 [2,0,0,0,0,0|2,0,0]=4 865 B3R0.2 C(=O)(N)N U491109 [2,0,0,0,0,0|2,0,0]=4 866 B3R0.2 C(=O)(N)[O-] A113918 [2,0,0,0,0,0|1,0,1]=4 867 B3R0.2 C(=O)(O)[O-] A110536 [2,0,0,0,0,0|0,0,1]=3 868 B3R0.2 C(=O)(O)[O-] A110537 [2,0,0,0,0,0|0,0,1]=3 869 B3R0.2 C(=O)(O)[O-] A431332 [2,0,0,0,0,0|0,0,1]=3 870 B3R0.2 C(=O)(O)[O-] A431333 [2,0,0,0,0,0|0,0,1]=3 871 B3R0.2 C(=O)(O)[O-] C303357 [2,0,0,0,0,0|0,0,1]=3 872 B3R0.2 C(=O)(O)[O-] P110485 [2,0,0,0,0,0|0,0,1]=3 873 B3R0.2 C(=O)(O)[O-] P110487 [2,0,0,0,0,0|0,0,1]=3 874 B3R0.2 C(=O)(O)[O-] P118601 [2,0,0,0,0,0|0,0,1]=3 875 B3R0.2 C(=O)(O)[O-] P639954 [2,0,0,0,0,0|0,0,1]=3 876 B3R0.2 C(=O)(O)[O-] S112331 [2,0,0,0,0,0|0,0,1]=3 877 B3R0.2 C(=O)(O)[O-] S112334 [2,0,0,0,0,0|0,0,1]=3 878 B3R0.2 C(=O)(O)[O-] S112335 [2,0,0,0,0,0|0,0,1]=3 879 B3R0.2 C(=O)(O)[O-] S112337 [2,0,0,0,0,0|0,0,1]=3 880 B3R0.2 C(=O)(O)[O-] S112338 [2,0,0,0,0,0|0,0,1]=3 881 B3R0.2 C(=O)(O)[O-] S112339 [2,0,0,0,0,0|0,0,1]=3 882 B3R0.2 C(=O)(O)[O-] S118660 [2,0,0,0,0,0|0,0,1]=3 883 B3R0.2 C(=O)(O)[O-] S331496 [2,0,0,0,0,0|0,0,1]=3 884 B3R0.2 C(=O)(O)[O-] S401669 [2,0,0,0,0,0|0,0,1]=3 885 B3R0.2 C(=O)(O)[O-] S432108 [2,0,0,0,0,0|0,0,1]=3 886 B3R0.2 C(=O)(O)[O-] S432109 [2,0,0,0,0,0|0,0,1]=3 887 B3R0.2 C(=O)(O)[O-] S432111 [2,0,0,0,0,0|0,0,1]=3 888 B3R0.2 C(=O)(O)[O-] S604571 [2,0,0,0,0,0|0,0,1]=3 889 B3R0.2 C(=O)(O)[O-] S639888 [2,0,0,0,0,0|0,0,1]=3 890 B3R0.2 C(=O)(O)[O-] T290608 [2,0,0,0,0,0|0,0,1]=3 891 B3R0.2 C(=O)(O)[O-] Z113329 [2,0,0,0,0,0|0,0,1]=3 892 B3R0.2 C(=O)([O-])[O-] A110371 [2,0,0,0,0,0|0,0,2]=4 893 B3R0.2 C(=O)([O-])[O-] A110373 [2,0,0,0,0,0|0,0,2]=4 894 B3R0.2 C(=O)([O-])[O-] A118825 [2,0,0,0,0,0|0,0,2]=4 895 B3R0.2 C(=O)([O-])[O-] A291926 [2,0,0,0,0,0|0,0,2]=4 896 B3R0.2 C(=O)([O-])[O-] A432782 [2,0,0,0,0,0|0,0,2]=4 897 B3R0.2 C(=O)([O-])[O-] A485838 [2,0,0,0,0,0|0,0,2]=4 898 B3R0.2 C(=O)([O-])[O-] B112362 [2,0,0,0,0,0|0,0,2]=4 899 B3R0.2 C(=O)([O-])[O-] B112363 [2,0,0,0,0,0|0,0,2]=4 900 B3R0.2 C(=O)([O-])[O-] B112364 [2,0,0,0,0,0|0,0,2]=4 901 B3R0.2 C(=O)([O-])[O-] B112365 [2,0,0,0,0,0|0,0,2]=4 902 B3R0.2 C(=O)([O-])[O-] B112366 [2,0,0,0,0,0|0,0,2]=4 903 B3R0.2 C(=O)([O-])[O-] B112367 [2,0,0,0,0,0|0,0,2]=4 904 B3R0.2 C(=O)([O-])[O-] B117838 [2,0,0,0,0,0|0,0,2]=4 905 B3R0.2 C(=O)([O-])[O-] B139811 [2,0,0,0,0,0|0,0,2]=4 906 B3R0.2 C(=O)([O-])[O-] C100153 [2,0,0,0,0,0|0,0,2]=4 907 B3R0.2 C(=O)([O-])[O-] C100155 [2,0,0,0,0,0|0,0,2]=4 908 B3R0.2 C(=O)([O-])[O-] C102101 [2,0,0,0,0,0|0,0,2]=4 909 B3R0.2 C(=O)([O-])[O-] C102102 [2,0,0,0,0,0|0,0,2]=4 910 B3R0.2 C(=O)([O-])[O-] C105060 [2,0,0,0,0,0|0,0,2]=4 911 B3R0.2 C(=O)([O-])[O-] C105061 [2,0,0,0,0,0|0,0,2]=4 912 B3R0.2 C(=O)([O-])[O-] C105063 [2,0,0,0,0,0|0,0,2]=4 913 B3R0.2 C(=O)([O-])[O-] C105380 [2,0,0,0,0,0|0,0,2]=4 914 B3R0.2 C(=O)([O-])[O-] C111980 [2,0,0,0,0,0|0,0,2]=4 915 B3R0.2 C(=O)([O-])[O-] C111984 [2,0,0,0,0,0|0,0,2]=4 916 B3R0.2 C(=O)([O-])[O-] C111985 [2,0,0,0,0,0|0,0,2]=4 917 B3R0.2 C(=O)([O-])[O-] C111986 [2,0,0,0,0,0|0,0,2]=4 918 B3R0.2 C(=O)([O-])[O-] C111987 [2,0,0,0,0,0|0,0,2]=4 919 B3R0.2 C(=O)([O-])[O-] C111988 [2,0,0,0,0,0|0,0,2]=4 920 B3R0.2 C(=O)([O-])[O-] C118654 [2,0,0,0,0,0|0,0,2]=4 921 B3R0.2 C(=O)([O-])[O-] C118705 [2,0,0,0,0,0|0,0,2]=4 922 B3R0.2 C(=O)([O-])[O-] C141292 [2,0,0,0,0,0|0,0,2]=4 923 B3R0.2 C(=O)([O-])[O-] C193679 [2,0,0,0,0,0|0,0,2]=4 924 B3R0.2 C(=O)([O-])[O-] C301706 [2,0,0,0,0,0|0,0,2]=4 925 B3R0.2 C(=O)([O-])[O-] C301707 [2,0,0,0,0,0|0,0,2]=4 926 B3R0.2 C(=O)([O-])[O-] C301708 [2,0,0,0,0,0|0,0,2]=4 927 B3R0.2 C(=O)([O-])[O-] C301709 [2,0,0,0,0,0|0,0,2]=4 928 B3R0.2 C(=O)([O-])[O-] C341739 [2,0,0,0,0,0|0,0,2]=4 929 B3R0.2 C(=O)([O-])[O-] C432741 [2,0,0,0,0,0|0,0,2]=4 930 B3R0.2 C(=O)([O-])[O-] C432743 [2,0,0,0,0,0|0,0,2]=4 931 B3R0.2 C(=O)([O-])[O-] C432744 [2,0,0,0,0,0|0,0,2]=4 932 B3R0.2 C(=O)([O-])[O-] D303484 [2,0,0,0,0,0|0,0,2]=4 933 B3R0.2 C(=O)([O-])[O-] D340770 [2,0,0,0,0,0|0,0,2]=4 934 B3R0.2 C(=O)([O-])[O-] E112966 [2,0,0,0,0,0|0,0,2]=4 935 B3R0.2 C(=O)([O-])[O-] E304793 [2,0,0,0,0,0|0,0,2]=4 936 B3R0.2 C(=O)([O-])[O-] F302419 [2,0,0,0,0,0|0,0,2]=4 937 B3R0.2 C(=O)([O-])[O-] G349487 [2,0,0,0,0,0|0,0,2]=4 938 B3R0.2 C(=O)([O-])[O-] H302201 [2,0,0,0,0,0|0,0,2]=4 939 B3R0.2 C(=O)([O-])[O-] L101679 [2,0,0,0,0,0|0,0,2]=4 940 B3R0.2 C(=O)([O-])[O-] L101681 [2,0,0,0,0,0|0,0,2]=4 941 B3R0.2 C(=O)([O-])[O-] L101684 [2,0,0,0,0,0|0,0,2]=4 942 B3R0.2 C(=O)([O-])[O-] L101685 [2,0,0,0,0,0|0,0,2]=4 943 B3R0.2 C(=O)([O-])[O-] L105143 [2,0,0,0,0,0|0,0,2]=4 944 B3R0.2 C(=O)([O-])[O-] L105146 [2,0,0,0,0,0|0,0,2]=4 945 B3R0.2 C(=O)([O-])[O-] L118639 [2,0,0,0,0,0|0,0,2]=4 946 B3R0.2 C(=O)([O-])[O-] L196236 [2,0,0,0,0,0|0,0,2]=4 947 B3R0.2 C(=O)([O-])[O-] L424716 [2,0,0,0,0,0|0,0,2]=4 948 B3R0.2 C(=O)([O-])[O-] L616481 [2,0,0,0,0,0|0,0,2]=4 949 B3R0.2 C(=O)([O-])[O-] L616497 [2,0,0,0,0,0|0,0,2]=4 950 B3R0.2 C(=O)([O-])[O-] M111694 [2,0,0,0,0,0|0,0,2]=4 951 B3R0.2 C(=O)([O-])[O-] M111695 [2,0,0,0,0,0|0,0,2]=4 952 B3R0.2 C(=O)([O-])[O-] M141071 [2,0,0,0,0,0|0,0,2]=4 953 B3R0.2 C(=O)([O-])[O-] M303145 [2,0,0,0,0,0|0,0,2]=4 954 B3R0.2 C(=O)([O-])[O-] M466608 [2,0,0,0,0,0|0,0,2]=4 955 B3R0.2 C(=O)([O-])[O-] P111556 [2,0,0,0,0,0|0,0,2]=4 956 B3R0.2 C(=O)([O-])[O-] P111558 [2,0,0,0,0,0|0,0,2]=4 957 B3R0.2 C(=O)([O-])[O-] P111561 [2,0,0,0,0,0|0,0,2]=4 958 B3R0.2 C(=O)([O-])[O-] P111562 [2,0,0,0,0,0|0,0,2]=4 959 B3R0.2 C(=O)([O-])[O-] P111563 [2,0,0,0,0,0|0,0,2]=4 960 B3R0.2 C(=O)([O-])[O-] P294003 [2,0,0,0,0,0|0,0,2]=4 961 B3R0.2 C(=O)([O-])[O-] P299567 [2,0,0,0,0,0|0,0,2]=4 962 B3R0.2 C(=O)([O-])[O-] P345539 [2,0,0,0,0,0|0,0,2]=4 963 B3R0.2 C(=O)([O-])[O-] P399177 [2,0,0,0,0,0|0,0,2]=4 964 B3R0.2 C(=O)([O-])[O-] P432993 [2,0,0,0,0,0|0,0,2]=4 965 B3R0.2 C(=O)([O-])[O-] P475259 [2,0,0,0,0,0|0,0,2]=4 966 B3R0.2 C(=O)([O-])[O-] P485460 [2,0,0,0,0,0|0,0,2]=4 967 B3R0.2 C(=O)([O-])[O-] R105381 [2,0,0,0,0,0|0,0,2]=4 968 B3R0.2 C(=O)([O-])[O-] R121990 [2,0,0,0,0,0|0,0,2]=4 969 B3R0.2 C(=O)([O-])[O-] S102039 [2,0,0,0,0,0|0,0,2]=4 970 B3R0.2 C(=O)([O-])[O-] S102041 [2,0,0,0,0,0|0,0,2]=4 971 B3R0.2 C(=O)([O-])[O-] S102043 [2,0,0,0,0,0|0,0,2]=4 972 B3R0.2 C(=O)([O-])[O-] S102045 [2,0,0,0,0,0|0,0,2]=4 973 B3R0.2 C(=O)([O-])[O-] S102046 [2,0,0,0,0,0|0,0,2]=4 974 B3R0.2 C(=O)([O-])[O-] S104735 [2,0,0,0,0,0|0,0,2]=4 975 B3R0.2 C(=O)([O-])[O-] S104737 [2,0,0,0,0,0|0,0,2]=4 976 B3R0.2 C(=O)([O-])[O-] S111733 [2,0,0,0,0,0|0,0,2]=4 977 B3R0.2 C(=O)([O-])[O-] S111735 [2,0,0,0,0,0|0,0,2]=4 978 B3R0.2 C(=O)([O-])[O-] S111736 [2,0,0,0,0,0|0,0,2]=4 979 B3R0.2 C(=O)([O-])[O-] S111737 [2,0,0,0,0,0|0,0,2]=4 980 B3R0.2 C(=O)([O-])[O-] S111738 [2,0,0,0,0,0|0,0,2]=4 981 B3R0.2 C(=O)([O-])[O-] S111739 [2,0,0,0,0,0|0,0,2]=4 982 B3R0.2 C(=O)([O-])[O-] S112589 [2,0,0,0,0,0|0,0,2]=4 983 B3R0.2 C(=O)([O-])[O-] S112591 [2,0,0,0,0,0|0,0,2]=4 984 B3R0.2 C(=O)([O-])[O-] S112592 [2,0,0,0,0,0|0,0,2]=4 985 B3R0.2 C(=O)([O-])[O-] S113834 [2,0,0,0,0,0|0,0,2]=4 986 B3R0.2 C(=O)([O-])[O-] S117544 [2,0,0,0,0,0|0,0,2]=4 987 B3R0.2 C(=O)([O-])[O-] S119016 [2,0,0,0,0,0|0,0,2]=4 988 B3R0.2 C(=O)([O-])[O-] S119487 [2,0,0,0,0,0|0,0,2]=4 989 B3R0.2 C(=O)([O-])[O-] S141342 [2,0,0,0,0,0|0,0,2]=4 990 B3R0.2 C(=O)([O-])[O-] S189038 [2,0,0,0,0,0|0,0,2]=4 991 B3R0.2 C(=O)([O-])[O-] S283014 [2,0,0,0,0,0|0,0,2]=4 992 B3R0.2 C(=O)([O-])[O-] S291927 [2,0,0,0,0,0|0,0,2]=4 993 B3R0.2 C(=O)([O-])[O-] S291928 [2,0,0,0,0,0|0,0,2]=4 994 B3R0.2 C(=O)([O-])[O-] S291929 [2,0,0,0,0,0|0,0,2]=4 995 B3R0.2 C(=O)([O-])[O-] S291930 [2,0,0,0,0,0|0,0,2]=4 996 B3R0.2 C(=O)([O-])[O-] S291931 [2,0,0,0,0,0|0,0,2]=4 997 B3R0.2 C(=O)([O-])[O-] S291932 [2,0,0,0,0,0|0,0,2]=4 998 B3R0.2 C(=O)([O-])[O-] S291933 [2,0,0,0,0,0|0,0,2]=4 999 B3R0.2 C(=O)([O-])[O-] S291935 [2,0,0,0,0,0|0,0,2]=4 1000 B3R0.2 C(=O)([O-])[O-] S291943 [2,0,0,0,0,0|0,0,2]=4 1001 B3R0.2 C(=O)([O-])[O-] S399117 [2,0,0,0,0,0|0,0,2]=4 1002 B3R0.2 C(=O)([O-])[O-] S432174 [2,0,0,0,0,0|0,0,2]=4 1003 B3R0.2 C(=O)([O-])[O-] S432759 [2,0,0,0,0,0|0,0,2]=4 1004 B3R0.2 C(=O)([O-])[O-] S432760 [2,0,0,0,0,0|0,0,2]=4 1005 B3R0.2 C(=O)([O-])[O-] S432761 [2,0,0,0,0,0|0,0,2]=4 1006 B3R0.2 C(=O)([O-])[O-] S591270 [2,0,0,0,0,0|0,0,2]=4 1007 B3R0.2 C(=O)([O-])[O-] T302043 [2,0,0,0,0,0|0,0,2]=4 1008 B3R0.2 C(=O)([O-])[O-] T302044 [2,0,0,0,0,0|0,0,2]=4 1009 B3R0.2 C=C(Cl)Cl D111347 [2,0,0,0,0,0|2,0,0]=4 1010 B3R0.2 C=C(Cl)Cl D433595 [2,0,0,0,0,0|2,0,0]=4 1011 B3R0.2 C=C(F)F P169015 [2,0,0,0,0,0|2,0,0]=4 1012 B3R0.2 C=C(F)F P302009 [2,0,0,0,0,0|2,0,0]=4 1013 B3R0.2 C=C(F)F P302010 [2,0,0,0,0,0|2,0,0]=4 1014 B3R0.2 C=C(F)F P302012 [2,0,0,0,0,0|2,0,0]=4 1015 B3R0.2 C=C(F)F P302014 [2,0,0,0,0,0|2,0,0]=4 1016 B3R0.2 C=C(F)F P432377 [2,0,0,0,0,0|2,0,0]=4 1017 B3R0.2 C=C(F)F P432378 [2,0,0,0,0,0|2,0,0]=4 1018 B3R0.2 C=C(F)F P432379 [2,0,0,0,0,0|2,0,0]=4 1019 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,0]=3 1020 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|1,0,0]=3 1021 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|1,0,0]=3 1022 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|1,0,0]=3 1023 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|1,0,0]=3 1024 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|1,0,0]=3 1025 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|1,0,0]=3 1026 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|1,0,0]=3 1027 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|1,0,0]=3 1028 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|1,0,0]=3 1029 B3R0.2 CC(=N)N A107218 [2,0,0,0,0,0|2,0,0]=4 1030 B3R0.2 CC(=N)N A151335 [2,0,0,0,0,0|2,0,0]=4 1031 B3R0.2 CC(=N)N A405649 [2,0,0,0,0,0|2,0,0]=4 1032 B3R0.2 CC(=O)Br A109619 [2,0,0,0,0,0|1,0,0]=3 1033 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,0,1]=3 1034 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,0,1]=3 1035 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,0,1]=3 1036 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,0,1]=3 1037 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,0,1]=3 1038 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,0,1]=3 1039 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,0,1]=3 1040 B3R0.2 CC(=O)Cl A108662 [2,0,0,0,0,0|1,0,0]=3 1041 B3R0.2 CC(=O)Cl A108664 [2,0,0,0,0,0|1,0,0]=3 1042 B3R0.2 CC(=O)Cl A121289 [2,0,0,0,0,0|1,0,0]=3 1043 B3R0.2 CC(=O)Cl A140638 [2,0,0,0,0,0|1,0,0]=3 1044 B3R0.2 CC(=O)I A151620 [2,0,0,0,0,0|1,0,0]=3 1045 B3R0.2 CC(=O)N A108460 [2,0,0,0,0,0|1,0,0]=3 1046 B3R0.2 CC(=O)N A108461 [2,0,0,0,0,0|1,0,0]=3 1047 B3R0.2 CC(=O)N A108462 [2,0,0,0,0,0|1,0,0]=3 1048 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|0,0,0]=2 1049 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|0,0,0]=2 1050 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|0,0,0]=2 1051 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|0,0,0]=2 1052 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|0,0,0]=2 1053 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|0,0,0]=2 1054 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|0,0,0]=2 1055 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|0,0,0]=2 1056 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|0,0,0]=2 1057 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|0,0,0]=2 1058 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|0,0,0]=2 1059 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|0,0,0]=2 1060 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|0,0,0]=2 1061 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|0,0,0]=2 1062 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|0,0,0]=2 1063 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|0,0,0]=2 1064 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|0,0,0]=2 1065 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|0,0,0]=2 1066 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|0,0,0]=2 1067 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|0,0,0]=2 1068 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|0,0,0]=2 1069 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|0,0,0]=2 1070 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|0,0,0]=2 1071 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|0,0,0]=2 1072 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|0,0,0]=2 1073 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|0,0,0]=2 1074 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|0,0,0]=2 1075 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|0,0,0]=2 1076 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|0,0,0]=2 1077 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|0,0,0]=2 1078 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|0,0,0]=2 1079 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|0,0,0]=2 1080 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|0,0,0]=2 1081 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|0,0,0]=2 1082 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|0,0,0]=2 1083 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|0,0,0]=2 1084 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|0,0,0]=2 1085 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|0,0,0]=2 1086 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|0,1,0]=3 1087 B3R0.2 CC(=O)[O-] A111331 [2,0,0,0,0,0|0,0,1]=3 1088 B3R0.2 CC(=O)[O-] A112048 [2,0,0,0,0,0|0,0,1]=3 1089 B3R0.2 CC(=O)[O-] A112055 [2,0,0,0,0,0|0,0,1]=3 1090 B3R0.2 CC(=O)[O-] A112056 [2,0,0,0,0,0|0,0,1]=3 1091 B3R0.2 CC(=O)[O-] A112057 [2,0,0,0,0,0|0,0,1]=3 1092 B3R0.2 CC(=O)[O-] A112058 [2,0,0,0,0,0|0,0,1]=3 1093 B3R0.2 CC(=O)[O-] A112059 [2,0,0,0,0,0|0,0,1]=3 1094 B3R0.2 CC(=O)[O-] A112060 [2,0,0,0,0,0|0,0,1]=3 1095 B3R0.2 CC(=O)[O-] A112061 [2,0,0,0,0,0|0,0,1]=3 1096 B3R0.2 CC(=O)[O-] A121772 [2,0,0,0,0,0|0,0,1]=3 1097 B3R0.2 CC(=O)[O-] A294961 [2,0,0,0,0,0|0,0,1]=3 1098 B3R0.2 CC(=O)[O-] A294964 [2,0,0,0,0,0|0,0,1]=3 1099 B3R0.2 CC(=O)[O-] A433166 [2,0,0,0,0,0|0,0,1]=3 1100 B3R0.2 CC(=O)[O-] B102945 [2,0,0,0,0,0|0,0,1]=3 1101 B3R0.2 CC(=O)[O-] B102947 [2,0,0,0,0,0|0,0,1]=3 1102 B3R0.2 CC(=O)[O-] B102949 [2,0,0,0,0,0|0,0,1]=3 1103 B3R0.2 CC(=O)[O-] B303104 [2,0,0,0,0,0|0,0,1]=3 1104 B3R0.2 CC(=O)[O-] B303105 [2,0,0,0,0,0|0,0,1]=3 1105 B3R0.2 CC(=O)[O-] C100139 [2,0,0,0,0,0|0,0,1]=3 1106 B3R0.2 CC(=O)[O-] C100141 [2,0,0,0,0,0|0,0,1]=3 1107 B3R0.2 CC(=O)[O-] C105400 [2,0,0,0,0,0|0,0,1]=3 1108 B3R0.2 CC(=O)[O-] C106020 [2,0,0,0,0,0|0,0,1]=3 1109 B3R0.2 CC(=O)[O-] C106650 [2,0,0,0,0,0|0,0,1]=3 1110 B3R0.2 CC(=O)[O-] C106651 [2,0,0,0,0,0|0,0,1]=3 1111 B3R0.2 CC(=O)[O-] C108085 [2,0,0,0,0,0|0,0,1]=3 1112 B3R0.2 CC(=O)[O-] C108885 [2,0,0,0,0,0|0,0,1]=3 1113 B3R0.2 CC(=O)[O-] C108886 [2,0,0,0,0,0|0,0,1]=3 1114 B3R0.2 CC(=O)[O-] C110803 [2,0,0,0,0,0|0,0,1]=3 1115 B3R0.2 CC(=O)[O-] C110804 [2,0,0,0,0,0|0,0,1]=3 1116 B3R0.2 CC(=O)[O-] C110805 [2,0,0,0,0,0|0,0,1]=3 1117 B3R0.2 CC(=O)[O-] C110807 [2,0,0,0,0,0|0,0,1]=3 1118 B3R0.2 CC(=O)[O-] C118497 [2,0,0,0,0,0|0,0,1]=3 1119 B3R0.2 CC(=O)[O-] C118636 [2,0,0,0,0,0|0,0,1]=3 1120 B3R0.2 CC(=O)[O-] C118637 [2,0,0,0,0,0|0,0,1]=3 1121 B3R0.2 CC(=O)[O-] C131576 [2,0,0,0,0,0|0,0,1]=3 1122 B3R0.2 CC(=O)[O-] C153760 [2,0,0,0,0,0|0,0,1]=3 1123 B3R0.2 CC(=O)[O-] C197275 [2,0,0,0,0,0|0,0,1]=3 1124 B3R0.2 CC(=O)[O-] C305845 [2,0,0,0,0,0|0,0,1]=3 1125 B3R0.2 CC(=O)[O-] C433063 [2,0,0,0,0,0|0,0,1]=3 1126 B3R0.2 CC(=O)[O-] C433113 [2,0,0,0,0,0|0,0,1]=3 1127 B3R0.2 CC(=O)[O-] C472574 [2,0,0,0,0,0|0,0,1]=3 1128 B3R0.2 CC(=O)[O-] C485449 [2,0,0,0,0,0|0,0,1]=3 1129 B3R0.2 CC(=O)[O-] C616592 [2,0,0,0,0,0|0,0,1]=3 1130 B3R0.2 CC(=O)[O-] E347618 [2,0,0,0,0,0|0,0,1]=3 1131 B3R0.2 CC(=O)[O-] G302975 [2,0,0,0,0,0|0,0,1]=3 1132 B3R0.2 CC(=O)[O-] H283501 [2,0,0,0,0,0|0,0,1]=3 1133 B3R0.2 CC(=O)[O-] I157596 [2,0,0,0,0,0|0,0,1]=3 1134 B3R0.2 CC(=O)[O-] I192310 [2,0,0,0,0,0|0,0,1]=3 1135 B3R0.2 CC(=O)[O-] I432598 [2,0,0,0,0,0|0,0,1]=3 1136 B3R0.2 CC(=O)[O-] I432599 [2,0,0,0,0,0|0,0,1]=3 1137 B3R0.2 CC(=O)[O-] L102778 [2,0,0,0,0,0|0,0,1]=3 1138 B3R0.2 CC(=O)[O-] L102779 [2,0,0,0,0,0|0,0,1]=3 1139 B3R0.2 CC(=O)[O-] L105189 [2,0,0,0,0,0|0,0,1]=3 1140 B3R0.2 CC(=O)[O-] L105191 [2,0,0,0,0,0|0,0,1]=3 1141 B3R0.2 CC(=O)[O-] L105192 [2,0,0,0,0,0|0,0,1]=3 1142 B3R0.2 CC(=O)[O-] L106809 [2,0,0,0,0,0|0,0,1]=3 1143 B3R0.2 CC(=O)[O-] L106810 [2,0,0,0,0,0|0,0,1]=3 1144 B3R0.2 CC(=O)[O-] L118609 [2,0,0,0,0,0|0,0,1]=3 1145 B3R0.2 CC(=O)[O-] L118858 [2,0,0,0,0,0|0,0,1]=3 1146 B3R0.2 CC(=O)[O-] L168480 [2,0,0,0,0,0|0,0,1]=3 1147 B3R0.2 CC(=O)[O-] L189058 [2,0,0,0,0,0|0,0,1]=3 1148 B3R0.2 CC(=O)[O-] L196609 [2,0,0,0,0,0|0,0,1]=3 1149 B3R0.2 CC(=O)[O-] L331817 [2,0,0,0,0,0|0,0,1]=3 1150 B3R0.2 CC(=O)[O-] M108880 [2,0,0,0,0,0|0,0,1]=3 1151 B3R0.2 CC(=O)[O-] M108882 [2,0,0,0,0,0|0,0,1]=3 1152 B3R0.2 CC(=O)[O-] M108883 [2,0,0,0,0,0|0,0,1]=3 1153 B3R0.2 CC(=O)[O-] M108884 [2,0,0,0,0,0|0,0,1]=3 1154 B3R0.2 CC(=O)[O-] M131577 [2,0,0,0,0,0|0,0,1]=3 1155 B3R0.2 CC(=O)[O-] M168281 [2,0,0,0,0,0|0,0,1]=3 1156 B3R0.2 CC(=O)[O-] M302852 [2,0,0,0,0,0|0,0,1]=3 1157 B3R0.2 CC(=O)[O-] M433192 [2,0,0,0,0,0|0,0,1]=3 1158 B3R0.2 CC(=O)[O-] M587217 [2,0,0,0,0,0|0,0,1]=3 1159 B3R0.2 CC(=O)[O-] M615748 [2,0,0,0,0,0|0,0,1]=3 1160 B3R0.2 CC(=O)[O-] P100486 [2,0,0,0,0,0|0,0,1]=3 1161 B3R0.2 CC(=O)[O-] P108325 [2,0,0,0,0,0|0,0,1]=3 1162 B3R0.2 CC(=O)[O-] P108329 [2,0,0,0,0,0|0,0,1]=3 1163 B3R0.2 CC(=O)[O-] P108330 [2,0,0,0,0,0|0,0,1]=3 1164 B3R0.2 CC(=O)[O-] P111485 [2,0,0,0,0,0|0,0,1]=3 1165 B3R0.2 CC(=O)[O-] P111486 [2,0,0,0,0,0|0,0,1]=3 1166 B3R0.2 CC(=O)[O-] P160183 [2,0,0,0,0,0|0,0,1]=3 1167 B3R0.2 CC(=O)[O-] P283478 [2,0,0,0,0,0|0,0,1]=3 1168 B3R0.2 CC(=O)[O-] P283931 [2,0,0,0,0,0|0,0,1]=3 1169 B3R0.2 CC(=O)[O-] P299555 [2,0,0,0,0,0|0,0,1]=3 1170 B3R0.2 CC(=O)[O-] P299556 [2,0,0,0,0,0|0,0,1]=3 1171 B3R0.2 CC(=O)[O-] P639156 [2,0,0,0,0,0|0,0,1]=3 1172 B3R0.2 CC(=O)[O-] R102671 [2,0,0,0,0,0|0,0,1]=3 1173 B3R0.2 CC(=O)[O-] R283395 [2,0,0,0,0,0|0,0,1]=3 1174 B3R0.2 CC(=O)[O-] R304476 [2,0,0,0,0,0|0,0,1]=3 1175 B3R0.2 CC(=O)[O-] S104731 [2,0,0,0,0,0|0,0,1]=3 1176 B3R0.2 CC(=O)[O-] S104733 [2,0,0,0,0,0|0,0,1]=3 1177 B3R0.2 CC(=O)[O-] S111519 [2,0,0,0,0,0|0,0,1]=3 1178 B3R0.2 CC(=O)[O-] S111520 [2,0,0,0,0,0|0,0,1]=3 1179 B3R0.2 CC(=O)[O-] S111521 [2,0,0,0,0,0|0,0,1]=3 1180 B3R0.2 CC(=O)[O-] S111522 [2,0,0,0,0,0|0,0,1]=3 1181 B3R0.2 CC(=O)[O-] S112480 [2,0,0,0,0,0|0,0,1]=3 1182 B3R0.2 CC(=O)[O-] S116316 [2,0,0,0,0,0|0,0,1]=3 1183 B3R0.2 CC(=O)[O-] S116317 [2,0,0,0,0,0|0,0,1]=3 1184 B3R0.2 CC(=O)[O-] S116318 [2,0,0,0,0,0|0,0,1]=3 1185 B3R0.2 CC(=O)[O-] S116319 [2,0,0,0,0,0|0,0,1]=3 1186 B3R0.2 CC(=O)[O-] S116320 [2,0,0,0,0,0|0,0,1]=3 1187 B3R0.2 CC(=O)[O-] S118647 [2,0,0,0,0,0|0,0,1]=3 1188 B3R0.2 CC(=O)[O-] S118648 [2,0,0,0,0,0|0,0,1]=3 1189 B3R0.2 CC(=O)[O-] S118649 [2,0,0,0,0,0|0,0,1]=3 1190 B3R0.2 CC(=O)[O-] S118650 [2,0,0,0,0,0|0,0,1]=3 1191 B3R0.2 CC(=O)[O-] S118661 [2,0,0,0,0,0|0,0,1]=3 1192 B3R0.2 CC(=O)[O-] S121307 [2,0,0,0,0,0|0,0,1]=3 1193 B3R0.2 CC(=O)[O-] S299214 [2,0,0,0,0,0|0,0,1]=3 1194 B3R0.2 CC(=O)[O-] S299215 [2,0,0,0,0,0|0,0,1]=3 1195 B3R0.2 CC(=O)[O-] S301881 [2,0,0,0,0,0|0,0,1]=3 1196 B3R0.2 CC(=O)[O-] S301882 [2,0,0,0,0,0|0,0,1]=3 1197 B3R0.2 CC(=O)[O-] S305337 [2,0,0,0,0,0|0,0,1]=3 1198 B3R0.2 CC(=O)[O-] S306014 [2,0,0,0,0,0|0,0,1]=3 1199 B3R0.2 CC(=O)[O-] S331497 [2,0,0,0,0,0|0,0,1]=3 1200 B3R0.2 CC(=O)[O-] S335300 [2,0,0,0,0,0|0,0,1]=3 1201 B3R0.2 CC(=O)[O-] S339494 [2,0,0,0,0,0|0,0,1]=3 1202 B3R0.2 CC(=O)[O-] S421119 [2,0,0,0,0,0|0,0,1]=3 1203 B3R0.2 CC(=O)[O-] S431676 [2,0,0,0,0,0|0,0,1]=3 1204 B3R0.2 CC(=O)[O-] S431678 [2,0,0,0,0,0|0,0,1]=3 1205 B3R0.2 CC(=O)[O-] S431679 [2,0,0,0,0,0|0,0,1]=3 1206 B3R0.2 CC(=O)[O-] S431680 [2,0,0,0,0,0|0,0,1]=3 1207 B3R0.2 CC(=O)[O-] S434883 [2,0,0,0,0,0|0,0,1]=3 1208 B3R0.2 CC(=O)[O-] T303317 [2,0,0,0,0,0|0,0,1]=3 1209 B3R0.2 CC(=O)[O-] T304247 [2,0,0,0,0,0|0,0,1]=3 1210 B3R0.2 CC(=O)[O-] T331924 [2,0,0,0,0,0|0,0,1]=3 1211 B3R0.2 CC(=O)[O-] Z110777 [2,0,0,0,0,0|0,0,1]=3 1212 B3R0.2 CC(=O)[O-] Z110779 [2,0,0,0,0,0|0,0,1]=3 1213 B3R0.2 CC(=O)[O-] Z110780 [2,0,0,0,0,0|0,0,1]=3 1214 B3R0.2 CC(=O)[O-] Z110957 [2,0,0,0,0,0|0,0,1]=3 1215 B3R0.2 CC(=O)[O-] Z111245 [2,0,0,0,0,0|0,0,1]=3 1216 B3R0.2 CC(=O)[O-] Z119378 [2,0,0,0,0,0|0,0,1]=3 1217 B3R0.2 CC(=O)[O-] Z424741 [2,0,0,0,0,0|0,0,1]=3 1218 B3R0.2 CC(=O)[O-] Z424969 [2,0,0,0,0,0|0,0,1]=3 1219 B3R0.2 CC(=O)[O-] Z433041 [2,0,0,0,0,0|0,0,1]=3 1220 B3R0.2 CC(=O)[O-] Z434712 [2,0,0,0,0,0|0,0,1]=3 1221 B3R0.2 CC(=O)[O-] Z489311 [2,0,0,0,0,0|0,0,1]=3 1222 B3R0.2 CC(=S)N T104039 [2,0,0,0,0,0|1,1,0]=4 1223 B3R0.2 CC(=S)N T118452 [2,0,0,0,0,0|1,1,0]=4 1224 B3R0.2 CC(=S)N T425171 [2,0,0,0,0,0|1,1,0]=4 1225 B3R0.2 CC(=S)[O-] P106179 [2,0,0,0,0,0|0,1,1]=4 1226 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|1,0,1]=4 1227 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|1,0,1]=4 1228 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|1,0,1]=4 1229 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|1,0,1]=4 1230 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|1,0,1]=4 1231 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|1,0,1]=4 1232 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|1,0,1]=4 1233 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|1,0,1]=4 1234 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|1,0,1]=4 1235 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|1,0,1]=4 1236 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|1,0,1]=4 1237 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|1,0,1]=4 1238 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|1,0,1]=4 1239 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|1,0,1]=4 1240 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|1,0,1]=4 1241 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|1,0,1]=4 1242 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|1,0,1]=4 1243 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|2,0,0]=4 1244 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,1]=4 1245 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,1]=4 1246 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,1]=4 1247 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,1]=4 1248 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,1]=4 1249 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,1]=4 1250 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,1]=4 1251 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,1]=4 1252 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,1]=4 1253 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,1]=4 1254 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,1]=4 1255 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,1]=4 1256 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,1]=4 1257 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,1]=4 1258 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,1]=4 1259 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,1]=4 1260 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,1]=4 1261 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,1]=4 1262 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,1]=4 1263 B3R0.2 CS(=O)Cl M589856 [2,0,0,0,0,0|2,0,0]=4 1264 B3R0.2 CS(=O)[O-] S161089 [2,0,0,0,0,0|1,0,1]=4 1265 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|2,0,0]=4 1266 B3R0.2 C[N+](=O)[O-] N102268 [2,0,0,0,0,0|1,0,1]=4 1267 B3R0.2 C[N+](=O)[O-] N109661 [2,0,0,0,0,0|1,0,1]=4 1268 B3R0.2 C[N+](=O)[O-] N109662 [2,0,0,0,0,0|1,0,1]=4 1269 B3R0.2 C[N+](=O)[O-] N109664 [2,0,0,0,0,0|1,0,1]=4 1270 B3R0.2 C[N+](=O)[O-] N109665 [2,0,0,0,0,0|1,0,1]=4 1271 B3R0.2 C[N+](=O)[O-] N109666 [2,0,0,0,0,0|1,0,1]=4 1272 B3R0.2 C[N+](=O)[O-] N119666 [2,0,0,0,0,0|1,0,1]=4 1273 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,0,1]=4 1274 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,1,1]=4 1275 B3R0.2 O=[Cr](=O)=O C112724 [2,0,0,0,0,0|1,0,1]=4 1276 B3R0.2 O=[Cr](=O)=O C112726 [2,0,0,0,0,0|1,0,1]=4 1277 B3R0.2 O=[Cr](=O)=O C112727 [2,0,0,0,0,0|1,0,1]=4 1278 B3R0.2 O=[Cr](=O)=O C118620 [2,0,0,0,0,0|1,0,1]=4 1279 B3R0.2 O=[Mo](=O)=O M104353 [2,0,0,0,0,0|1,0,1]=4 1280 B3R0.2 O=[Mo](=O)=O M104354 [2,0,0,0,0,0|1,0,1]=4 1281 B3R0.2 O=[Mo](=O)=O M104355 [2,0,0,0,0,0|1,0,1]=4 1282 B3R0.2 O=[Mo](=O)=O M141397 [2,0,0,0,0,0|1,0,1]=4 1283 B3R0.2 O=[Mo](=O)=O M294927 [2,0,0,0,0,0|1,0,1]=4 1284 B3R0.2 O=[Re](=O)=O M100685 [2,0,0,0,0,0|1,0,1]=4 1285 B3R0.2 O=[Re](=O)=O R302365 [2,0,0,0,0,0|1,0,1]=4 1286 B3R0.2 O=[W](=O)=O T103853 [2,0,0,0,0,0|1,0,1]=4 1287 B3R0.2 O=[W](=O)=O T103856 [2,0,0,0,0,0|1,0,1]=4 1288 B3R0.2 O=[W](=O)=O T103857 [2,0,0,0,0,0|1,0,1]=4 1289 B3R0.2 O=[W](=O)=O T124419 [2,0,0,0,0,0|1,0,1]=4 1290 B3R0.2 O=[W](=O)=O T124425 [2,0,0,0,0,0|1,0,1]=4 1291 B3R0.2 O=[W](=O)=O T431835 [2,0,0,0,0,0|1,0,1]=4 1292 B3R0.2 OI(=O)=O I104593 [2,0,0,0,0,0|1,0,0]=3 1293 B3R0.2 OI(=O)=O I104594 [2,0,0,0,0,0|1,0,0]=3 1294 B3R0.2 OI(=O)=O I104595 [2,0,0,0,0,0|1,0,0]=3 1295 B3R0.2 OI(=O)=O P101302 [2,0,0,0,0,0|1,0,0]=3 1296 B3R0.2 OI(=O)=O P101306 [2,0,0,0,0,0|1,0,0]=3 1297 B3R0.2 OP(=O)=O P100468 [2,0,0,0,0,0|1,0,0]=3 1298 B3R0.2 OS(=O)O S112653 [2,0,0,0,0,0|1,0,1]=4 1299 B3R0.2 OS(=O)O S112654 [2,0,0,0,0,0|1,0,1]=4 1300 B3R0.2 OS(=O)O S615687 [2,0,0,0,0,0|1,0,1]=4 1301 B3R0.2 OS(=O)[O-] A302082 [2,0,0,0,0,0|1,0,1]=4 1302 B3R0.2 OS(=O)[O-] S111720 [2,0,0,0,0,0|1,0,1]=4 1303 B3R0.2 OS(=O)[O-] S111722 [2,0,0,0,0,0|1,0,1]=4 1304 B3R0.2 OS(=O)[O-] S111723 [2,0,0,0,0,0|1,0,1]=4 1305 B3R0.2 OS(=O)[O-] S598869 [2,0,0,0,0,0|1,0,1]=4 1306 B3R0.2 O[Ti](=O)[O-] L404110 [2,0,0,0,0,0|1,0,1]=4 1307 B3R0.2 [N+](=O)(O)[O-] A117713 [2,0,0,0,0,0|1,0,1]=4 1308 B3R0.2 [N+](=O)(O)[O-] A117714 [2,0,0,0,0,0|1,0,1]=4 1309 B3R0.2 [N+](=O)(O)[O-] A117715 [2,0,0,0,0,0|1,0,1]=4 1310 B3R0.2 [N+](=O)(O)[O-] A117716 [2,0,0,0,0,0|1,0,1]=4 1311 B3R0.2 [N+](=O)(O)[O-] A117717 [2,0,0,0,0,0|1,0,1]=4 1312 B3R0.2 [N+](=O)(O)[O-] A117719 [2,0,0,0,0,0|1,0,1]=4 1313 B3R0.2 [N+](=O)(O)[O-] N116240 [2,0,0,0,0,0|1,0,1]=4 1314 B3R0.2 [N+](=O)(O)[O-] N116241 [2,0,0,0,0,0|1,0,1]=4 1315 B3R0.2 [N+](=O)(O)[O-] N116242 [2,0,0,0,0,0|1,0,1]=4 1316 B3R0.2 [N+](=O)(O)[O-] N116243 [2,0,0,0,0,0|1,0,1]=4 1317 B3R0.2 [N+](=O)(O)[O-] N116244 [2,0,0,0,0,0|1,0,1]=4 1318 B3R0.2 [N+](=O)(O)[O-] N116245 [2,0,0,0,0,0|1,0,1]=4 1319 B3R0.2 [N+](=O)(O)[O-] N121305 [2,0,0,0,0,0|1,0,1]=4 1320 B3R0.2 [N+](=O)(O)[O-] N197229 [2,0,0,0,0,0|1,0,1]=4 1321 B3R0.2 [N+](=O)(O)[O-] N291980 [2,0,0,0,0,0|1,0,1]=4 1322 B3R0.2 [N+](=O)(O)[O-] N401565 [2,0,0,0,0,0|1,0,1]=4 1323 B3R0.2 [N+](=O)(O)[O-] N433819 [2,0,0,0,0,0|1,0,1]=4 1324 B3R0.2 [N+](=O)(O)[O-] N639640 [2,0,0,0,0,0|1,0,1]=4 1325 B3R0.2 [O-]Br(=O)=O B299879 [2,0,0,0,0,0|1,0,1]=4 1326 B3R0.2 [O-]Br(=O)=O P113266 [2,0,0,0,0,0|1,0,1]=4 1327 B3R0.2 [O-]Br(=O)=O P113269 [2,0,0,0,0,0|1,0,1]=4 1328 B3R0.2 [O-]Br(=O)=O P113270 [2,0,0,0,0,0|1,0,1]=4 1329 B3R0.2 [O-]Br(=O)=O P573282 [2,0,0,0,0,0|1,0,1]=4 1330 B3R0.2 [O-]Br(=O)=O S108352 [2,0,0,0,0,0|1,0,1]=4 1331 B3R0.2 [O-]Br(=O)=O S108353 [2,0,0,0,0,0|1,0,1]=4 1332 B3R0.2 [O-]Br(=O)=O S108354 [2,0,0,0,0,0|1,0,1]=4 1333 B3R0.2 [O-]Cl(=O)=O P112369 [2,0,0,0,0,0|1,0,1]=4 1334 B3R0.2 [O-]Cl(=O)=O P283304 [2,0,0,0,0,0|1,0,1]=4 1335 B3R0.2 [O-]Cl(=O)=O S110494 [2,0,0,0,0,0|1,0,1]=4 1336 B3R0.2 [O-]Cl(=O)=O S110496 [2,0,0,0,0,0|1,0,1]=4 1337 B3R0.2 [O-]I(=O)=O A100497 [2,0,0,0,0,0|1,0,1]=4 1338 B3R0.2 [O-]I(=O)=O B113256 [2,0,0,0,0,0|1,0,1]=4 1339 B3R0.2 [O-]I(=O)=O C112473 [2,0,0,0,0,0|1,0,1]=4 1340 B3R0.2 [O-]I(=O)=O C298982 [2,0,0,0,0,0|1,0,1]=4 1341 B3R0.2 [O-]I(=O)=O L348949 [2,0,0,0,0,0|1,0,1]=4 1342 B3R0.2 [O-]I(=O)=O P116286 [2,0,0,0,0,0|1,0,1]=4 1343 B3R0.2 [O-]I(=O)=O P116290 [2,0,0,0,0,0|1,0,1]=4 1344 B3R0.2 [O-]I(=O)=O P116291 [2,0,0,0,0,0|1,0,1]=4 1345 B3R0.2 [O-]I(=O)=O P118573 [2,0,0,0,0,0|1,0,1]=4 1346 B3R0.2 [O-]I(=O)=O P130039 [2,0,0,0,0,0|1,0,1]=4 1347 B3R0.2 [O-]I(=O)=O P433937 [2,0,0,0,0,0|1,0,1]=4 1348 B3R0.2 [O-]I(=O)=O S108351 [2,0,0,0,0,0|1,0,1]=4 1349 B3R0.2 [O-]P(=O)=O A190755 [2,0,0,0,0,0|1,0,1]=4 1350 B3R0.2 [O-]P(=O)=O B302519 [2,0,0,0,0,0|1,0,1]=4 1351 B3R0.2 [O-]P(=O)=O L189005 [2,0,0,0,0,0|1,0,1]=4 1352 B3R0.2 [O-]P(=O)=O M302475 [2,0,0,0,0,0|1,0,1]=4 1353 B3R0.2 [O-]P(=O)=O P195044 [2,0,0,0,0,0|1,0,1]=4 1354 B3R0.2 [O-]P(=O)=O S302120 [2,0,0,0,0,0|1,0,1]=4 1355 B3R0.2 [O-][Nb](=O)=O L113915 [2,0,0,0,0,0|1,0,1]=4 1356 B3R0.2 [O-][Nb](=O)=O L123766 [2,0,0,0,0,0|1,0,1]=4 1357 B3R0.2 [O-][Nb](=O)=O S283268 [2,0,0,0,0,0|1,0,1]=4 1358 B3R0.2 [O-][V](=O)=O A111822 [2,0,0,0,0,0|1,0,1]=4 1359 B3R0.2 [O-][V](=O)=O A111824 [2,0,0,0,0,0|1,0,1]=4 1360 B3R0.2 [O-][V](=O)=O A111825 [2,0,0,0,0,0|1,0,1]=4 1361 B3R0.2 [O-][V](=O)=O A111829 [2,0,0,0,0,0|1,0,1]=4 1362 B3R0.2 [O-][V](=O)=O P102480 [2,0,0,0,0,0|1,0,1]=4 1363 B3R0.2 [O-][V](=O)=O P102481 [2,0,0,0,0,0|1,0,1]=4 1364 B3R0.2 [O-][V](=O)=O S100249 [2,0,0,0,0,0|1,0,1]=4 1365 B3R0.2 [O-][V](=O)=O S116321 [2,0,0,0,0,0|1,0,1]=4 1366 B3R0.2 [O-][V](=O)=O S116323 [2,0,0,0,0,0|1,0,1]=4 1367 B3R0.2 [O-][V](=O)=O S141454 [2,0,0,0,0,0|1,0,1]=4 1368 B3R0.2 [O-][V](=O)=O S490185 [2,0,0,0,0,0|1,0,1]=4 1369 B5R0.1 C#CCC(=O)O B168856 [1,1,0,0,0,0|0,0,2]=4 1370 B5R0.1 C(C#N)C(=O)O C105698 [1,1,0,0,0,0|0,0,2]=4 1371 B5R0.1 C(C(=O)O)ON C109697 [1,1,0,0,0,0|0,0,2]=4 1372 B5R0.1 C(C=C(Cl)Cl)Cl T303246 [1,1,0,0,0,0|2,0,0]=4 1373 B5R0.1 C(CBr)C(=O)Cl B135557 [1,1,0,0,0,0|1,0,1]=4 1374 B5R0.1 C(CBr)C(=O)N B152335 [1,1,0,0,0,0|1,0,1]=4 1375 B5R0.1 C(CBr)C(=O)O B106081 [1,1,0,0,0,0|0,0,1]=3 1376 B5R0.1 C(CCl)C(=O)Cl C109466 [1,1,0,0,0,0|1,0,1]=4 1377 B5R0.1 C(CCl)C(=O)N C171099 [1,1,0,0,0,0|1,0,1]=4 1378 B5R0.1 C(CCl)C(=O)O C106515 [1,1,0,0,0,0|0,0,1]=3 1379 B5R0.1 C(CI)C(=O)O I157542 [1,1,0,0,0,0|0,0,1]=3 1380 B5R0.1 C(CN)C(=O)N B135870 [1,1,0,0,0,0|1,0,1]=4 1381 B5R0.1 C(CN)C(=O)O A105703 [1,1,0,0,0,0|0,0,1]=3 1382 B5R0.1 C(CN)C(=O)O A137901 [1,1,0,0,0,0|0,0,1]=3 1383 B5R0.1 C(CN)C(=O)O A494514 [1,1,0,0,0,0|0,0,1]=3 1384 B5R0.1 C(CO)C(=O)O H136635 [1,1,0,0,0,0|0,0,1]=3 1385 B5R0.1 C(CS(=O)O)N H303371 [1,1,0,0,0,0|1,0,1]=4 1386 B5R0.1 C(CS)C(=O)O M103035 [1,1,0,0,0,0|0,0,1]=3 1387 B5R0.1 C(CS)C(=O)O M103036 [1,1,0,0,0,0|0,0,1]=3 1388 B5R0.1 C(CS)C(=O)O M590994 [1,1,0,0,0,0|0,0,1]=3 1389 B5R0.1 C(OC(=O)Cl)Cl C153890 [1,1,0,0,0,0|2,0,0]=4 1390 B5R0.1 C=CCC(=O)O B152769 [1,1,0,0,0,0|0,0,1]=3 1391 B5R0.1 C=CCC(=O)O B152771 [1,1,0,0,0,0|0,0,1]=3 1392 B5R0.1 CC#CC(=O)O B113384 [1,1,0,0,0,0|0,0,1]=3 1393 B5R0.1 CC(=C)CCO M158231 [1,1,0,0,0,0|1,0,1]=4 1394 B5R0.1 CC(=CC#N)N A163009 [1,1,0,0,0,0|2,0,0]=4 1395 B5R0.1 CC(=CC=O)C M158692 [1,1,0,0,0,0|1,0,0]=3 1396 B5R0.1 CC(=CCBr)C D104495 [1,1,0,0,0,0|2,0,0]=4 1397 B5R0.1 CC(=CCBr)C D104497 [1,1,0,0,0,0|2,0,0]=4 1398 B5R0.1 CC(=CCCl)C C189147 [1,1,0,0,0,0|2,0,0]=4 1399 B5R0.1 CC(=CCCl)C C638572 [1,1,0,0,0,0|2,0,0]=4 1400 B5R0.1 CC(=CCO)C M106454 [1,1,0,0,0,0|1,0,0]=3 1401 B5R0.1 CC(=CCO)C M106455 [1,1,0,0,0,0|1,0,0]=3 1402 B5R0.1 CC(=O)CCO H106330 [1,1,0,0,0,0|0,0,1]=3 1403 B5R0.1 CC(=O)COC M158844 [1,1,0,0,0,0|0,0,1]=3 1404 B5R0.1 CC(=O)NC=C N159504 [1,1,0,0,0,0|1,0,0]=3 1405 B5R0.1 CC(=O)NCO A151630 [1,1,0,0,0,0|0,0,1]=3 1406 B5R0.1 CC(=O)OC=C P101483 [1,1,0,0,0,0|1,0,0]=3 1407 B5R0.1 CC(=O)OC=C P101485 [1,1,0,0,0,0|1,0,0]=3 1408 B5R0.1 CC(=O)OC=C P101486 [1,1,0,0,0,0|1,0,0]=3 1409 B5R0.1 CC(=O)OC=C P301634 [1,1,0,0,0,0|1,0,0]=3 1410 B5R0.1 CC(=O)OC=C P304876 [1,1,0,0,0,0|1,0,0]=3 1411 B5R0.1 CC(=O)OC=C P304877 [1,1,0,0,0,0|1,0,0]=3 1412 B5R0.1 CC(=O)OC=C P304879 [1,1,0,0,0,0|1,0,0]=3 1413 B5R0.1 CC(=O)OC=C P304880 [1,1,0,0,0,0|1,0,0]=3 1414 B5R0.1 CC(=O)OC=C P304881 [1,1,0,0,0,0|1,0,0]=3 1415 B5R0.1 CC(=O)OC=C P432376 [1,1,0,0,0,0|1,0,0]=3 1416 B5R0.1 CC(=O)OC=C P489072 [1,1,0,0,0,0|1,0,0]=3 1417 B5R0.1 CC(=O)OC=C V104470 [1,1,0,0,0,0|1,0,0]=3 1418 B5R0.1 CC(=O)OC=C V104471 [1,1,0,0,0,0|1,0,0]=3 1419 B5R0.1 CC(=O)OC=C V104472 [1,1,0,0,0,0|1,0,0]=3 1420 B5R0.1 CC(=O)OCBr B122544 [1,1,0,0,0,0|1,0,1]=4 1421 B5R0.1 CC(=O)OCCl C194261 [1,1,0,0,0,0|1,0,1]=4 1422 B5R0.1 CC(C)CC=O I103729 [1,1,0,0,0,0|1,0,1]=4 1423 B5R0.1 CC(C)CC=O I103733 [1,1,0,0,0,0|1,0,1]=4 1424 B5R0.1 CC(C)OC=O I112304 [1,1,0,0,0,0|1,0,1]=4 1425 B5R0.1 CC=CC(=O)C P139100 [1,1,0,0,0,0|1,0,0]=3 1426 B5R0.1 CC=CC(=O)Cl C102055 [1,1,0,0,0,0|1,0,0]=3 1427 B5R0.1 CC=CC(=O)Cl C153881 [1,1,0,0,0,0|1,0,0]=3 1428 B5R0.1 CC=CC(=O)N C153720 [1,1,0,0,0,0|1,0,0]=3 1429 B5R0.1 CC=CC(=O)O C104149 [1,1,0,0,0,0|0,0,0]=2 1430 B5R0.1 CC=CC(=O)O C104150 [1,1,0,0,0,0|0,0,0]=2 1431 B5R0.1 CCC=C(C)C M158233 [1,1,0,0,0,0|2,0,0]=4 1432 B5R0.1 CCCC(=O)C P103780 [1,1,0,0,0,0|1,0,1]=4 1433 B5R0.1 CCCC(=O)C P103781 [1,1,0,0,0,0|1,0,1]=4 1434 B5R0.1 CCCC(=O)C P103782 [1,1,0,0,0,0|1,0,1]=4 1435 B5R0.1 CCCC(=O)C P103783 [1,1,0,0,0,0|1,0,1]=4 1436 B5R0.1 CCCC(=O)Cl B108666 [1,1,0,0,0,0|1,0,1]=4 1437 B5R0.1 CCCC(=O)N B152329 [1,1,0,0,0,0|1,0,1]=4 1438 B5R0.1 CCCC(=O)O B110438 [1,1,0,0,0,0|0,0,1]=3 1439 B5R0.1 CCCC(=O)O B110439 [1,1,0,0,0,0|0,0,1]=3 1440 B5R0.1 CCCC(=O)O B110440 [1,1,0,0,0,0|0,0,1]=3 1441 B5R0.1 CCCC(=O)O B110442 [1,1,0,0,0,0|0,0,1]=3 1442 B5R0.1 CCCC(=O)O B274612 [1,1,0,0,0,0|0,0,1]=3 1443 B5R0.1 CCCC(=O)O B431361 [1,1,0,0,0,0|0,0,1]=3 1444 B5R0.1 CCCC(=O)[O-] S102954 [1,1,0,0,0,0|0,0,2]=4 1445 B5R0.1 CCCC(=O)[O-] S102956 [1,1,0,0,0,0|0,0,2]=4 1446 B5R0.1 CCCC(=O)[O-] S346178 [1,1,0,0,0,0|0,0,2]=4 1447 B5R0.1 CCCC(=O)[O-] S421873 [1,1,0,0,0,0|0,0,2]=4 1448 B5R0.1 CCNC(=O)C I135660 [1,1,0,0,0,0|1,0,1]=4 1449 B5R0.1 CCNC(=O)N E105944 [1,1,0,0,0,0|1,0,1]=4 1450 B5R0.1 CCOC(=O)C E116131 [1,1,0,0,0,0|1,0,1]=4 1451 B5R0.1 CCOC(=O)C E116132 [1,1,0,0,0,0|1,0,1]=4 1452 B5R0.1 CCOC(=O)C E116133 [1,1,0,0,0,0|1,0,1]=4 1453 B5R0.1 CCOC(=O)C E116134 [1,1,0,0,0,0|1,0,1]=4 1454 B5R0.1 CCOC(=O)C E116135 [1,1,0,0,0,0|1,0,1]=4 1455 B5R0.1 CCOC(=O)C E116136 [1,1,0,0,0,0|1,0,1]=4 1456 B5R0.1 CCOC(=O)C E116137 [1,1,0,0,0,0|1,0,1]=4 1457 B5R0.1 CCOC(=O)C E116138 [1,1,0,0,0,0|1,0,1]=4 1458 B5R0.1 CCOC(=O)C E116139 [1,1,0,0,0,0|1,0,1]=4 1459 B5R0.1 CCOC(=O)C E116141 [1,1,0,0,0,0|1,0,1]=4 1460 B5R0.1 CCOC(=O)C E116142 [1,1,0,0,0,0|1,0,1]=4 1461 B5R0.1 CCOC(=O)C E119698 [1,1,0,0,0,0|1,0,1]=4 1462 B5R0.1 CCOC(=O)C E141165 [1,1,0,0,0,0|1,0,1]=4 1463 B5R0.1 CCOC(=O)C E302266 [1,1,0,0,0,0|1,0,1]=4 1464 B5R0.1 CCOC(=O)C E432070 [1,1,0,0,0,0|1,0,1]=4 1465 B5R0.1 CCOC(=O)N C266075 [1,1,0,0,0,0|1,0,1]=4 1466 B5R0.1 CCOC(=O)N E424443 [1,1,0,0,0,0|1,0,1]=4 1467 B5R0.1 CCOC(=O)N U108629 [1,1,0,0,0,0|1,0,1]=4 1468 B5R0.1 CCOC(=O)N U299635 [1,1,0,0,0,0|1,0,1]=4 1469 B5R0.1 CCO[Si](=O)O E302202 [1,1,0,0,0,0|0,1,1]=4 1470 B5R0.1 CCSC(=O)C E107950 [1,1,0,0,0,0|1,0,1]=4 1471 B5R0.1 CN(C)CC=O D587172 [1,1,0,0,0,0|2,0,0]=4 1472 B5R0.1 CNCC(=O)N S115899 [1,1,0,0,0,0|1,0,1]=4 1473 B5R0.1 CNCC(=O)O S102891 [1,1,0,0,0,0|0,0,1]=3 1474 B5R0.1 CNCC(=O)O S113893 [1,1,0,0,0,0|0,0,1]=3 1475 B5R0.1 CNCC(=O)O S420541 [1,1,0,0,0,0|0,0,1]=3 1476 B5R0.1 CNCC(=O)[O-] S189142 [1,1,0,0,0,0|0,0,2]=4 1477 B5R0.1 COCC(=O)Cl M124203 [1,1,0,0,0,0|1,0,1]=4 1478 B5R0.1 COCC(=O)O M158057 [1,1,0,0,0,0|0,0,1]=3 1479 B5R0.1 CSCC(=O)N M158330 [1,1,0,0,0,0|1,0,1]=4 1480 B5R0.1 CSCC(=O)O M168970 [1,1,0,0,0,0|0,0,1]=3 1481 B5R0.3 C(=O)(NN)NO N492071 [1,1,0,0,0,0|2,0,0]=4 1482 B5R0.3 C(=O)C(C=O)Br B122442 [1,1,0,0,0,0|1,0,1]=4 1483 B5R0.3 C(C(=CCl)Cl)Cl T161631 [1,1,0,0,0,0|2,0,0]=4 1484 B5R0.3 C(C(=O)CBr)Br D139292 [1,1,0,0,0,0|1,0,1]=4 1485 B5R0.3 C(C(=O)NN)O H192943 [1,1,0,0,0,0|1,0,1]=4 1486 B5R0.3 C(C(C=O)O)O D134978 [1,1,0,0,0,0|0,0,2]=4 1487 B5R0.3 C(C(C=O)O)O D589509 [1,1,0,0,0,0|0,0,2]=4 1488 B5R0.3 C(C(C=O)O)O S138916 [1,1,0,0,0,0|0,0,2]=4 1489 B5R0.3 C=C(CO)CO M158762 [1,1,0,0,0,0|1,0,1]=4 1490 B5R0.3 CC=C(C)C#N M158305 [1,1,0,0,0,0|2,0,0]=4 1491 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|1,0,0]=3 1492 B5R0.3 CCC(=C)C=O E189230 [1,1,0,0,0,0|1,0,0]=3 1493 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|2,0,0]=4 1494 B5R0.3 CCC(=NO)C B105233 [1,1,0,0,0,0|1,0,1]=4 1495 B5R0.3 CCC(=NO)N P138620 [1,1,0,0,0,0|1,0,1]=4 1496 B5R0.3 CCC(=O)CC P103791 [1,1,0,0,0,0|1,0,1]=4 1497 B5R0.3 CCC(=O)CC P103792 [1,1,0,0,0,0|1,0,1]=4 1498 B5R0.3 CCC(=O)CC P103794 [1,1,0,0,0,0|1,0,1]=4 1499 B5R0.3 CCC(=O)CO H193640 [1,1,0,0,0,0|0,0,1]=3 1500 B5R0.3 CCC(=O)NC N159394 [1,1,0,0,0,0|1,0,1]=4 1501 B5R0.3 CCC(=O)NN P342062 [1,1,0,0,0,0|1,0,1]=4 1502 B5R0.3 CCC(=O)OC M110420 [1,1,0,0,0,0|0,0,1]=3 1503 B5R0.3 CCC(=O)OC M110421 [1,1,0,0,0,0|0,0,1]=3 1504 B5R0.3 CCC(=O)OC M110422 [1,1,0,0,0,0|0,0,1]=3 1505 B5R0.3 CCC(=O)OC M491732 [1,1,0,0,0,0|0,0,1]=3 1506 B5R0.3 CCC(=O)SC S404755 [1,1,0,0,0,0|0,1,1]=4 1507 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|1,0,1]=4 1508 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|1,0,1]=4 1509 B5R0.3 CNC(=O)C=C N189941 [1,1,0,0,0,0|1,0,0]=3 1510 B5R0.3 CNC(=O)CBr B588815 [1,1,0,0,0,0|1,0,1]=4 1511 B5R0.3 CNC(=O)CCl C124467 [1,1,0,0,0,0|1,0,1]=4 1512 B5R0.3 CNC(=O)CN A182951 [1,1,0,0,0,0|1,0,1]=4 1513 B5R0.3 CNC(=O)CS M124593 [1,1,0,0,0,0|0,1,1]=4 1514 B5R0.3 CNC(=O)NC D104702 [1,1,0,0,0,0|2,0,0]=4 1515 B5R0.3 COC(=O)C#C M106792 [1,1,0,0,0,0|0,0,2]=4 1516 B5R0.3 COC(=O)C=C M100029 [1,1,0,0,0,0|0,0,1]=3 1517 B5R0.3 COC(=O)C=C M100030 [1,1,0,0,0,0|0,0,1]=3 1518 B5R0.3 COC(=O)C=C M100032 [1,1,0,0,0,0|0,0,1]=3 1519 B5R0.3 COC(=O)C=C M100033 [1,1,0,0,0,0|0,0,1]=3 1520 B5R0.3 COC(=O)CBr M106900 [1,1,0,0,0,0|1,0,1]=4 1521 B5R0.3 COC(=O)CCl M104120 [1,1,0,0,0,0|1,0,1]=4 1522 B5R0.3 COC(=O)CCl M104121 [1,1,0,0,0,0|1,0,1]=4 1523 B5R0.3 COC(=O)CCl M305846 [1,1,0,0,0,0|1,0,1]=4 1524 B5R0.3 COC(=O)CN G105475 [1,1,0,0,0,0|1,0,1]=4 1525 B5R0.3 COC(=O)CO M101718 [1,1,0,0,0,0|0,0,1]=3 1526 B5R0.3 COC(=O)CS M103140 [1,1,0,0,0,0|0,1,1]=4 1527 B5R0.3 COC(=O)NN M106002 [1,1,0,0,0,0|2,0,0]=4 1528 B5R0.3 COC(=O)OC D110623 [1,1,0,0,0,0|1,0,0]=3 1529 B5R0.3 COC(=O)OC D110625 [1,1,0,0,0,0|1,0,0]=3 1530 B5R0.3 COC(=O)OC D119695 [1,1,0,0,0,0|1,0,0]=3 1531 B5R0.3 COC(=O)OC D294884 [1,1,0,0,0,0|1,0,0]=3 1532 B5R0.3 COC(=O)OC D433121 [1,1,0,0,0,0|1,0,0]=3 1533 B5R0.3 COC(=O)OC D433122 [1,1,0,0,0,0|1,0,0]=3 1534 B5R0.3 COC(=O)OC D433123 [1,1,0,0,0,0|1,0,0]=3 1535 B5R0.3 COS(=O)OC D106795 [1,1,0,0,0,0|2,0,0]=4 1536 B5R0.3 CO[P+](=O)OC D304802 [1,1,0,0,0,0|2,0,0]=4 1537 B5R0.4 C=CP(=O)(O)O V162980 [1,1,0,0,0,0|1,0,1]=4 1538 B5R0.4 C=CP(=O)(O)O V298756 [1,1,0,0,0,0|1,0,1]=4 1539 B5R0.4 C=CP(=O)(O)O V432226 [1,1,0,0,0,0|1,0,1]=4 1540 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|1,0,1]=4 1541 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.4 CCS(=O)(=O)O E113372 [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.4 CNS(=O)(=O)O M158775 [1,1,0,0,0,0|2,0,0]=4 1544 B5R0.4 CS(=O)(=O)C=C M169945 [1,1,0,0,0,0|2,0,0]=4 1545 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,1,0,0,0,1|0,0,2]=4 1546 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,1,0,0,0,1|1,0,1]=4 1547 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,1,0,0,0,1|1,0,1]=4 1548 B7R0.2 CC(=CC(=O)OC)C M102001 [0,1,0,0,0,1|1,0,0]=3 1549 B7R0.2 CC(=CC(=O)OC)N A102015 [0,1,0,0,0,1|1,0,0]=3 1550 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,1,0,0,0,1|1,0,0]=3 1551 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,1,0,0,0,1|1,0,0]=3 1552 B7R0.2 CC(=O)CC(=O)OC M108598 [0,1,0,0,0,1|0,0,0]=2 1553 B7R0.2 CC(=O)CC(=O)OC M108599 [0,1,0,0,0,1|0,0,0]=2 1554 B7R0.2 CC(=O)CC(=O)OC M108601 [0,1,0,0,0,1|0,0,0]=2 1555 B7R0.2 CC(=O)NC(=O)NC A151230 [0,1,0,0,0,1|1,0,0]=3 1556 B7R0.2 CC(=O)OC(=C)C#N C153479 [0,1,0,0,0,1|2,0,0]=4 1557 B7R0.2 CC(C)CC(=O)OC M157988 [0,1,0,0,0,1|1,0,1]=4 1558 B7R0.2 CC(CC(=O)OC)N R190811 [0,1,0,0,0,1|1,0,1]=4 1559 B7R0.2 CC(CC(=O)OC)N S587134 [0,1,0,0,0,1|1,0,1]=4 1560 B7R0.2 CC(CC(=O)OC)O H124084 [0,1,0,0,0,1|0,0,2]=4 1561 B7R0.2 CC(CC(=O)OC)O H124101 [0,1,0,0,0,1|0,0,2]=4 1562 B7R0.2 CCC(=O)CC(=O)C H192611 [0,1,0,0,0,1|1,0,0]=3 1563 B7R0.2 CCC(C)CC(=O)O M109883 [0,1,0,0,0,1|1,0,1]=4 1564 B7R0.2 CCC(CC(=O)O)N A191758 [0,1,0,0,0,1|1,0,1]=4 1565 B7R0.2 CCC(CC(=O)O)N I167296 [0,1,0,0,0,1|1,0,1]=4 1566 B7R0.2 CN(C)CC(=O)OC N304465 [0,1,0,0,0,1|2,0,0]=4 1567 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,1,0,0,0,1|1,0,0]=3 1568 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,1,0,0,0,1|1,0,0]=3 1569 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,1,0,0,0,1|1,0,0]=3 1570 B7R0.2 COC(=O)CC(=O)O M132669 [0,1,0,0,0,1|0,0,0]=2 1571 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,1,0,0,0,1|0,0,1]=3 1572 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [0,1,0,0,0,1|1,0,1]=4 1573 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,1,0,0,0,1|0,0,1]=3 1574 B7R0.9 C(C(=O)O)P(=O)(O)O P344747 [0,1,0,0,0,1|2,0,0]=4 1575 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,1,0,0,0,1|1,0,1]=4 1576 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,1,0,0,0,1|1,0,1]=4 1577 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,1,0,0,0,1|1,0,1]=4 1578 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,1,0,0,0,1|1,0,1]=4 1579 B7R0.9 CC(=O)CS(=O)(=O)C M349447 [0,1,0,0,0,1|1,0,1]=4 1580 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,1,0,0,0,1|1,0,1]=4 1581 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,1,0,0,0,1|0,0,2]=4 1582 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [0,1,0,0,0,1|1,0,0]=3 1583 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,1,0,0,0,1|2,0,0]=4 1584 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,1,0,0,0,1|2,0,0]=4 1585 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,1,0,0,0,1|1,1,0]=4 1586 B7R0.16 C(C(=O)N)(C(=O)N)N A185601 [0,1,0,0,0,1|2,0,0]=4 1587 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,1,0,0,0,1|1,0,0]=3 1588 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,1,0,0,0,1|1,0,0]=3 1589 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,1,0,0,0,1|1,0,0]=3 1590 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,1,0,0,0,1|1,0,0]=3 1591 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,1,0,0,0,1|0,0,2]=4 1592 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,1,0,0,0,1|0,0,2]=4 1593 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,1,0,0,0,1|0,0,2]=4 1594 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,1,0,0,0,1|0,0,2]=4 1595 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,1,0,0,0,1|0,0,2]=4 1596 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,1,0,0,0,1|0,0,2]=4 1597 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,1,0,0,0,1|0,0,2]=4 1598 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,1,0,0,0,1|0,0,2]=4 1599 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,1,0,0,0,1|0,0,2]=4 1600 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,1,0,0,0,1|1,0,1]=4 1601 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,1,0,0,0,1|1,0,1]=4 1602 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,1,0,0,0,1|1,0,1]=4 1603 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,1,0,0,0,1|1,0,1]=4 1604 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,1,0,0,0,1|1,0,1]=4 1605 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,1,0,0,0,1|1,0,1]=4 1606 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,1,0,0,0,1|1,0,1]=4 1607 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,1,0,0,0,1|1,0,1]=4 1608 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,1,0,0,0,1|1,0,1]=4 1609 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,1,0,0,0,1|1,0,1]=4 1610 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,1,0,0,0,1|1,0,1]=4 1611 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,1,0,0,0,1|1,0,1]=4 1612 B7R0.5 C#CCC(C(=O)O)N D133969 [0,2,0,0,0,0|1,0,1]=4 1613 B7R0.5 C#CCC(C(=O)O)N R192202 [0,2,0,0,0,0|1,0,1]=4 1614 B7R0.5 C#CCC(C(=O)O)N R304808 [0,2,0,0,0,0|1,0,1]=4 1615 B7R0.5 C#CCC(C(=O)O)N S168837 [0,2,0,0,0,0|1,0,1]=4 1616 B7R0.5 C(CBr)C(C(=O)O)N A101191 [0,2,0,0,0,0|1,0,1]=4 1617 B7R0.5 C(CN)C(C(=O)O)N D102446 [0,2,0,0,0,0|1,0,1]=4 1618 B7R0.5 C(CN)C(C(=O)O)N D113499 [0,2,0,0,0,0|1,0,1]=4 1619 B7R0.5 C(CN)C(C(=O)O)N D117019 [0,2,0,0,0,0|1,0,1]=4 1620 B7R0.5 C(CN)C(C(=O)O)O H181248 [0,2,0,0,0,0|0,0,2]=4 1621 B7R0.5 C(CN)C(C(=O)O)O S161042 [0,2,0,0,0,0|0,0,2]=4 1622 B7R0.5 C(CO)C(C(=O)O)N H100541 [0,2,0,0,0,0|1,0,1]=4 1623 B7R0.5 C(CO)C(C(=O)O)N H101557 [0,2,0,0,0,0|1,0,1]=4 1624 B7R0.5 C(CO)C(C(=O)O)N H105430 [0,2,0,0,0,0|1,0,1]=4 1625 B7R0.5 C(CO)C(C(=O)O)N L425384 [0,2,0,0,0,0|1,0,1]=4 1626 B7R0.5 C(CS)C(C(=O)O)N H106297 [0,2,0,0,0,0|1,0,1]=4 1627 B7R0.5 C(CS)C(C(=O)O)N L134501 [0,2,0,0,0,0|1,0,1]=4 1628 B7R0.5 C=CCC(C(=O)O)N A115225 [0,2,0,0,0,0|1,0,1]=4 1629 B7R0.5 C=CCC(C(=O)O)N D101189 [0,2,0,0,0,0|1,0,1]=4 1630 B7R0.5 C=CCC(C(=O)O)N D107871 [0,2,0,0,0,0|1,0,1]=4 1631 B7R0.5 C=CCC(C(=O)O)N S101123 [0,2,0,0,0,0|1,0,1]=4 1632 B7R0.5 C=CCC(C(=O)O)N S161223 [0,2,0,0,0,0|1,0,1]=4 1633 B7R0.5 CC(=C)C(=O)NCO N404587 [0,2,0,0,0,0|1,0,0]=3 1634 B7R0.5 CC(=C)C(=O)OC=C V162960 [0,2,0,0,0,0|1,0,0]=3 1635 B7R0.5 CC(=O)N(C)CCO N167555 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.5 CC(C(=O)O)N=[N+]=[N-] I166546 [0,2,0,0,0,0|1,0,1]=4 1637 B7R0.5 CC(C(=O)O)NC=O N159048 [0,2,0,0,0,0|0,0,1]=3 1638 B7R0.5 CC(CC=C)C(=O)O M111848 [0,2,0,0,0,0|1,0,1]=4 1639 B7R0.5 CCC=C(C)C(=O)O M102542 [0,2,0,0,0,0|1,0,0]=3 1640 B7R0.5 CCC=C(C)C(=O)O M107371 [0,2,0,0,0,0|1,0,0]=3 1641 B7R0.5 CCCC(=O)C(=O)C H106696 [0,2,0,0,0,0|1,0,0]=3 1642 B7R0.5 CCCC(=O)C(=O)O O159954 [0,2,0,0,0,0|0,0,0]=2 1643 B7R0.5 CCCC(C(=O)O)Br B152768 [0,2,0,0,0,0|1,0,1]=4 1644 B7R0.5 CCCC(C(=O)O)N N100542 [0,2,0,0,0,0|1,0,1]=4 1645 B7R0.5 CCCC(C(=O)O)N N106191 [0,2,0,0,0,0|1,0,1]=4 1646 B7R0.5 CCCC(C(=O)O)N N106215 [0,2,0,0,0,0|1,0,1]=4 1647 B7R0.5 CCCC(C(=O)O)O S193305 [0,2,0,0,0,0|0,0,2]=4 1648 B7R0.5 CCCC(C)C(=O)O B300596 [0,2,0,0,0,0|1,0,1]=4 1649 B7R0.5 CCCC(C)C(=O)O M117868 [0,2,0,0,0,0|1,0,1]=4 1650 B7R0.5 CCCC(C)C(=O)O M427193 [0,2,0,0,0,0|1,0,1]=4 1651 B7R0.5 CCOC(=O)C(=C)C E103001 [0,2,0,0,0,0|1,0,0]=3 1652 B7R0.5 CCOC(=O)C(=C)C E103002 [0,2,0,0,0,0|1,0,0]=3 1653 B7R0.5 CCOC(=O)C(=C)C E492609 [0,2,0,0,0,0|1,0,0]=3 1654 B7R0.5 CCOC(=O)C(=O)C E113332 [0,2,0,0,0,0|0,0,0]=2 1655 B7R0.5 CCOC(=O)C(=O)Cl E109372 [0,2,0,0,0,0|1,0,0]=3 1656 B7R0.5 CCOC(=O)C(=O)N E156399 [0,2,0,0,0,0|1,0,0]=3 1657 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [0,2,0,0,0,0|0,0,1]=3 1658 B7R0.5 CCOC(=O)C(=S)N E101723 [0,2,0,0,0,0|1,1,0]=4 1659 B7R0.5 CCOC(=O)C(C)Br E106089 [0,2,0,0,0,0|1,0,1]=4 1660 B7R0.5 CCOC(=O)C(C)Br E400066 [0,2,0,0,0,0|1,0,1]=4 1661 B7R0.5 CCOC(=O)C(C)C E156123 [0,2,0,0,0,0|1,0,1]=4 1662 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,2,0,0,0,0|1,0,1]=4 1663 B7R0.5 CCOC(=O)C(C)F E135615 [0,2,0,0,0,0|1,0,1]=4 1664 B7R0.5 CCOC(=O)C(C)I E156364 [0,2,0,0,0,0|1,0,1]=4 1665 B7R0.5 CCOC(=O)C(C)N A109010 [0,2,0,0,0,0|1,0,1]=4 1666 B7R0.5 CCOC(=O)C(C)N A117183 [0,2,0,0,0,0|1,0,1]=4 1667 B7R0.5 CCOC(=O)C(C)N D304158 [0,2,0,0,0,0|1,0,1]=4 1668 B7R0.5 CCOC(=O)C(C)O E104551 [0,2,0,0,0,0|0,0,2]=4 1669 B7R0.5 CCOC(=O)C(C)O E104553 [0,2,0,0,0,0|0,0,2]=4 1670 B7R0.5 CCOC(=O)C(C)O E104554 [0,2,0,0,0,0|0,0,2]=4 1671 B7R0.5 CCOC(=O)C(C)O E108228 [0,2,0,0,0,0|0,0,2]=4 1672 B7R0.5 CCOC(=O)C(C)O E108230 [0,2,0,0,0,0|0,0,2]=4 1673 B7R0.5 CCOC(=O)C(C)O E465744 [0,2,0,0,0,0|0,0,2]=4 1674 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|0,1,1]=4 1675 B7R0.5 CCSC(C)C(=O)O E168418 [0,2,0,0,0,0|0,1,1]=4 1676 B7R0.5 CN(C)C(=O)COC M589066 [0,2,0,0,0,0|2,0,0]=4 1677 B7R0.5 CNCC(C(=O)O)N S132658 [0,2,0,0,0,0|1,0,1]=4 1678 B7R0.5 COCC(C(=O)O)Cl C133763 [0,2,0,0,0,0|1,0,1]=4 1679 B7R0.5 COCC(C(=O)O)N S135785 [0,2,0,0,0,0|1,0,1]=4 1680 B7R0.5 CSCC(C(=O)O)N M116973 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.5 C[Se]CC(C(=O)O)N S161277 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.10 C(=O)(C(=O)NN)NN O107185 [0,2,0,0,0,0|2,0,0]=4 1683 B7R0.10 C(C(=C(CO)Br)Br)O I169562 [0,2,0,0,0,0|2,0,0]=4 1684 B7R0.10 C(C(=C(CO)Br)Br)O T162668 [0,2,0,0,0,0|2,0,0]=4 1685 B7R0.10 C(C(=O)C(=O)CBr)Br D171251 [0,2,0,0,0,0|1,0,0]=3 1686 B7R0.10 CC(=NO)C(=NO)C C405555 [0,2,0,0,0,0|1,0,1]=4 1687 B7R0.10 CC(=NO)C(=NO)C D111833 [0,2,0,0,0,0|1,0,1]=4 1688 B7R0.10 CC(=NO)C(=NO)C D111834 [0,2,0,0,0,0|1,0,1]=4 1689 B7R0.10 CC(=NO)C(=NO)C D404386 [0,2,0,0,0,0|1,0,1]=4 1690 B7R0.10 CC(C(=O)OC)NC S587983 [0,2,0,0,0,0|1,0,1]=4 1691 B7R0.10 CC(CBr)C(=O)OC M158847 [0,2,0,0,0,0|1,0,1]=4 1692 B7R0.10 CC(CBr)C(=O)OC M409449 [0,2,0,0,0,0|1,0,1]=4 1693 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|0,0,2]=4 1694 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|0,0,2]=4 1695 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|0,0,2]=4 1696 B7R0.10 CC=C(C)C(=O)OC M158196 [0,2,0,0,0,0|1,0,0]=3 1697 B7R0.10 CCC(=O)C(=O)CC H102539 [0,2,0,0,0,0|1,0,0]=3 1698 B7R0.10 CCC(=O)N(C)OC N404710 [0,2,0,0,0,0|2,0,0]=4 1699 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|1,0,1]=4 1700 B7R0.10 CCC(C(=O)OC)Br M110203 [0,2,0,0,0,0|1,0,1]=4 1701 B7R0.10 CCC(C(=O)OC)N D134538 [0,2,0,0,0,0|1,0,1]=4 1702 B7R0.10 CCC(C(=O)OC)N S304011 [0,2,0,0,0,0|1,0,1]=4 1703 B7R0.10 CCC(C(=O)OC)O M588620 [0,2,0,0,0,0|0,0,2]=4 1704 B7R0.10 CCC(C(=O)OC)O M590030 [0,2,0,0,0,0|0,0,2]=4 1705 B7R0.10 CCC(C(=O)OC)O R590029 [0,2,0,0,0,0|0,0,2]=4 1706 B7R0.10 CCC(C)C(=O)OC M157989 [0,2,0,0,0,0|1,0,1]=4 1707 B7R0.10 CN(C(=O)CCl)OC C124448 [0,2,0,0,0,0|2,0,0]=4 1708 B7R0.10 CNC(=O)C(=O)NC I171177 [0,2,0,0,0,0|1,0,0]=3 1709 B7R0.10 COC(=O)C(=C)C#N M587088 [0,2,0,0,0,0|1,0,1]=4 1710 B7R0.10 COC(=O)C(=C)CBr M138825 [0,2,0,0,0,0|1,0,0]=3 1711 B7R0.10 COC(=O)C(=C)CO M167537 [0,2,0,0,0,0|1,0,0]=3 1712 B7R0.10 COC(=O)C(=O)CBr M572938 [0,2,0,0,0,0|0,0,0]=2 1713 B7R0.10 COC(=O)C(=O)OC D103008 [0,2,0,0,0,0|0,0,0]=2 1714 B7R0.10 COC(=O)C(=O)OC D103009 [0,2,0,0,0,0|0,0,0]=2 1715 B7R0.10 COC(=O)C(CBr)Br M167887 [0,2,0,0,0,0|1,0,1]=4 1716 B7R0.10 COC(=O)C(CCl)Cl M121841 [0,2,0,0,0,0|1,0,1]=4 1717 B7R0.10 COC(=O)C(CCl)N M588771 [0,2,0,0,0,0|1,0,1]=4 1718 B7R0.10 COC(=O)C(CCl)N S134256 [0,2,0,0,0,0|1,0,1]=4 1719 B7R0.10 COC(=O)C(CO)N S101064 [0,2,0,0,0,0|1,0,1]=4 1720 B7R0.10 COC(=O)C(CO)N S109008 [0,2,0,0,0,0|1,0,1]=4 1721 B7R0.10 COC(=O)C(CO)N S117181 [0,2,0,0,0,0|1,0,1]=4 1722 B7R0.10 COC(=O)C(CO)O R587787 [0,2,0,0,0,0|0,0,2]=4 1723 B7R0.10 COC(=O)C(CO)O S178884 [0,2,0,0,0,0|0,0,2]=4 1724 B7R0.10 COC(=O)C(CS)N C105474 [0,2,0,0,0,0|1,0,1]=4 1725 B7R0.10 COC(=O)C(CS)N S133993 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.13 CC(C)(C#N)C(=O)O C483479 [0,2,0,0,0,0|1,0,1]=4 1727 B7R0.13 CC(C)(C(=O)O)NC M464376 [0,2,0,0,0,0|1,0,1]=4 1728 B7R0.13 CC(C)(CCl)C(=O)O C153460 [0,2,0,0,0,0|1,0,1]=4 1729 B7R0.13 CC(C)(CF)C(=O)O F194366 [0,2,0,0,0,0|1,0,1]=4 1730 B7R0.13 CC(C)(CO)C(=O)O H138895 [0,2,0,0,0,0|0,0,2]=4 1731 B7R0.13 CC(CBr)(C(=O)O)O R160936 [0,2,0,0,0,0|0,0,2]=4 1732 B7R0.13 CC(CO)(C(=O)O)N A118304 [0,2,0,0,0,0|0,0,2]=4 1733 B7R0.13 CCC(C(=O)O)(F)F D168890 [0,2,0,0,0,0|1,0,1]=4 1734 B7R0.13 CCC(C)(C(=O)O)N H353441 [0,2,0,0,0,0|1,0,1]=4 1735 B7R0.13 CCC(C)(C(=O)O)N I118303 [0,2,0,0,0,0|1,0,1]=4 1736 B7R0.13 CCC(C)(C(=O)O)O H133323 [0,2,0,0,0,0|0,0,2]=4 1737 B7R0.13 CCC(C)(C)C(=O)O D102023 [0,2,0,0,0,0|1,0,1]=4 1738 B7R0.14 CC(C)(C(=O)OC)Br A134370 [0,2,0,0,0,0|1,0,1]=4 1739 B7R0.14 CC(C)(C(=O)OC)F M158843 [0,2,0,0,0,0|1,0,1]=4 1740 B7R0.14 CC(C)(C(=O)OC)N M132255 [0,2,0,0,0,0|1,0,1]=4 1741 B7R0.14 CC(C)(C(=O)OC)N M586992 [0,2,0,0,0,0|1,0,1]=4 1742 B7R0.14 CC(C)(C(=O)OC)O M100572 [0,2,0,0,0,0|0,0,2]=4 1743 B7R0.14 CC(C)(C)C(=O)OC M157979 [0,2,0,0,0,0|1,0,1]=4 1744 B7R0.14 CC(C)(C)C(=O)ON O404965 [0,2,0,0,0,0|1,0,1]=4 1745 B7R0.15 C(C(CBr)C(=O)O)Br B136320 [0,2,0,0,0,0|1,0,1]=4 1746 B7R0.15 C(C(CO)C(=O)O)N I166551 [0,2,0,0,0,0|0,0,2]=4 1747 B7R0.15 CC(=O)C(OC)OC P135662 [0,2,0,0,0,0|0,0,2]=4 1748 B7R0.15 CCC(CC)C(=O)O E105668 [0,2,0,0,0,0|1,0,1]=4 1749 B7R0.15 CCC(CC)C(=O)O E105669 [0,2,0,0,0,0|1,0,1]=4 1750 B7R0.15 CCN(C(=O)N)N=O N136865 [0,2,0,0,0,0|2,0,0]=4 1751 B5R1.2 C1C(=O)CN1 A174998 [1,0,0,1,0,0|1,0,1]=4 1752 B5R1.2 C1C(=O)CO1 O129097 [1,0,0,1,0,0|0,0,1]=3 1753 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|1,0,1]=4 1754 B5R1.2 C1CNC1=O A139449 [1,0,0,1,0,0|1,0,1]=4 1755 B5R1.2 C1COC1=O P109567 [1,0,0,1,0,0|0,0,1]=3 1756 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|1,0,1]=4 1757 B7R1.2 C1(=O)NC(=O)NN1 U162905 [0,0,0,1,0,1|2,0,0]=4 1758 B7R1.2 C1(=O)NC(=O)NN1 U592376 [0,0,0,1,0,1|2,0,0]=4 1759 B7R1.2 C1=CC(=O)NC1=O M100788 [0,0,0,1,0,1|1,0,1]=4 1760 B7R1.2 C1=CC(=O)NC1=O M424627 [0,0,0,1,0,1|1,0,1]=4 1761 B7R1.2 C1=CC(=O)OC1=O M116389 [0,0,0,1,0,1|1,0,1]=4 1762 B7R1.2 C1=CC(=O)OC1=O M332470 [0,0,0,1,0,1|1,0,1]=4 1763 B7R1.2 C1=CC(=O)OC1=O P134891 [0,0,0,1,0,1|1,0,1]=4 1764 B7R1.2 C1=CC(=O)OC1=O P303284 [0,0,0,1,0,1|1,0,1]=4 1765 B7R1.2 C1=CC(=O)OC1=O P304899 [0,0,0,1,0,1|1,0,1]=4 1766 B7R1.2 C1=CC(=O)OC1=O P434514 [0,0,0,1,0,1|1,0,1]=4 1767 B7R1.2 C1=CC(=O)OC1=O P434525 [0,0,0,1,0,1|1,0,1]=4 1768 B7R1.2 C1=CC(=O)OC1=O P434526 [0,0,0,1,0,1|1,0,1]=4 1769 B7R1.2 C1=CC(=O)OC1=O P493757 [0,0,0,1,0,1|1,0,1]=4 1770 B7R1.2 C1C(=CC(=O)O1)O T103765 [0,0,0,1,0,1|0,0,1]=3 1771 B7R1.2 C1C(=O)C=CC1=O C356087 [0,0,0,1,0,1|1,0,1]=4 1772 B7R1.2 C1C(=O)COC1=O T101326 [0,0,0,1,0,1|0,0,0]=2 1773 B7R1.2 C1C(=O)N=C(S1)N A168665 [0,0,0,1,0,1|1,1,0]=4 1774 B7R1.2 C1C(=O)N=C(S1)N A193919 [0,0,0,1,0,1|1,1,0]=4 1775 B7R1.2 C1C(=O)NC(=O)N1 H100923 [0,0,0,1,0,1|1,0,0]=3 1776 B7R1.2 C1C(=O)NC(=O)S1 T109725 [0,0,0,1,0,1|0,1,0]=3 1777 B7R1.2 C1C(=O)NC(=S)N1 T135932 [0,0,0,1,0,1|1,1,0]=4 1778 B7R1.2 C1C(=O)NC(=S)S1 R104132 [0,0,0,1,0,1|0,2,0]=4 1779 B7R1.2 C1C(=O)NC(=S)S1 R104133 [0,0,0,1,0,1|0,2,0]=4 1780 B7R1.2 C1C(=O)OC(=O)N1 O132967 [0,0,0,1,0,1|1,0,0]=3 1781 B7R1.2 C1C(COC1=O)N R189910 [0,0,0,1,0,1|1,0,1]=4 1782 B7R1.2 C1C(COC1=O)N S189909 [0,0,0,1,0,1|1,0,1]=4 1783 B7R1.2 C1C(COC1=O)O H107941 [0,0,0,1,0,1|0,0,2]=4 1784 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,0,0,1,0,1|1,0,1]=4 1785 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,0,0,1,0,1|1,0,1]=4 1786 B7R1.2 C1C(OC(=O)O1)F F120339 [0,0,0,1,0,1|1,0,1]=4 1787 B7R1.2 C1CC(=O)CC1=O C138777 [0,0,0,1,0,1|1,0,0]=3 1788 B7R1.2 C1CC(=O)NC1=O S104077 [0,0,0,1,0,1|1,0,0]=3 1789 B7R1.2 C1CC(=O)NC1=O S104079 [0,0,0,1,0,1|1,0,0]=3 1790 B7R1.2 C1CC(=O)OC1=O S104823 [0,0,0,1,0,1|1,0,0]=3 1791 B7R1.2 C1CC(=O)OC1=O S104824 [0,0,0,1,0,1|1,0,0]=3 1792 B7R1.2 CC1=CC(=NO1)C D122898 [0,0,0,1,0,1|2,0,0]=4 1793 B7R1.2 CC1=CC(=O)CC1 M109537 [0,0,0,1,0,1|2,0,0]=4 1794 B7R1.2 CC1=CC(=O)NN1 M133849 [0,0,0,1,0,1|2,0,0]=4 1795 B7R1.2 CC1=CC(=O)NO1 BWY397355 [0,0,0,1,0,1|1,0,1]=4 1796 B7R1.2 CC1=CC(=O)NO1 BWY397369 [0,0,0,1,0,1|1,0,1]=4 1797 B7R1.2 CC1=CC(=O)NO1 BWY397380 [0,0,0,1,0,1|1,0,1]=4 1798 B7R1.2 CC1=CC(=O)NO1 H109938 [0,0,0,1,0,1|1,0,1]=4 1799 B7R1.2 CC1=CC(=O)NO1 H140830 [0,0,0,1,0,1|1,0,1]=4 1800 B7R1.2 CC1=CC(=O)OC1 M158202 [0,0,0,1,0,1|1,0,0]=3 1801 B7R1.2 CC1=CCC(=O)O1 A151155 [0,0,0,1,0,1|2,0,0]=4 1802 B7R1.2 CC1=CCC(=O)O1 A433012 [0,0,0,1,0,1|2,0,0]=4 1803 B7R1.2 CC1=COC(=N1)C D139217 [0,0,0,1,0,1|2,0,0]=4 1804 B7R1.2 CC1=COC(=N1)N M588855 [0,0,0,1,0,1|2,0,0]=4 1805 B7R1.2 CC1=NNC(=O)C1 M121614 [0,0,0,1,0,1|2,0,0]=4 1806 B7R1.2 CC1=NOC(=C1)N A151656 [0,0,0,1,0,1|2,0,0]=4 1807 B7R1.2 CC1COC(=O)O1 P105723 [0,0,0,1,0,1|1,0,1]=4 1808 B7R1.2 CC1COC(=O)O1 P105724 [0,0,0,1,0,1|1,0,1]=4 1809 B7R1.2 CC1COC(=O)O1 P105725 [0,0,0,1,0,1|1,0,1]=4 1810 B7R1.2 CC1COC(=O)O1 P105726 [0,0,0,1,0,1|1,0,1]=4 1811 B7R1.2 CC1COC(=O)O1 P122960 [0,0,0,1,0,1|1,0,1]=4 1812 B7R1.2 CC1COC(=O)O1 S135940 [0,0,0,1,0,1|1,0,1]=4 1813 B7R1.12 C1C(C1F)C(=O)O F191156 [0,0,0,1,0,1|1,0,1]=4 1814 B7R1.12 C1C(C1F)C(=O)O R586886 [0,0,0,1,0,1|1,0,1]=4 1815 B7R1.12 C1C(C1F)C(=O)O R587591 [0,0,0,1,0,1|1,0,1]=4 1816 B7R1.12 C1C(C1F)C(=O)O S587590 [0,0,0,1,0,1|1,0,1]=4 1817 B7R1.12 CC1CC1C(=O)O M169350 [0,0,0,1,0,1|1,0,1]=4 1818 B7R1.20 C1CC1CC(=O)O C134997 [0,0,0,1,0,1|1,0,1]=4 1819 B7R1.4 C1C(C(=O)NO1)N C108718 [0,1,0,1,0,0|1,0,1]=4 1820 B7R1.4 C1C(C(=O)NO1)N D136996 [0,1,0,1,0,0|1,0,1]=4 1821 B7R1.4 C1C(C(=O)NO1)N D425443 [0,1,0,1,0,0|1,0,1]=4 1822 B7R1.4 C1C(C(=O)NO1)N L423473 [0,1,0,1,0,0|1,0,1]=4 1823 B7R1.4 C1C(C(=O)NO1)N S136251 [0,1,0,1,0,0|1,0,1]=4 1824 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,1,0,0|1,0,0]=3 1825 B7R1.4 C1CNC(=O)C1O H486731 [0,1,0,1,0,0|1,0,1]=4 1826 B7R1.4 C1COC(=O)C1Br B107924 [0,1,0,1,0,0|1,0,1]=4 1827 B7R1.4 C1COC(=O)C1N A101211 [0,1,0,1,0,0|1,0,1]=4 1828 B7R1.4 C1COC(=O)C1N I167498 [0,1,0,1,0,0|1,0,1]=4 1829 B7R1.4 C1COC(=O)C1N R137962 [0,1,0,1,0,0|1,0,1]=4 1830 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,1,0,0|0,0,2]=4 1831 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,1,0,0|0,0,2]=4 1832 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,1,0,0|0,0,2]=4 1833 B7R1.4 C1COC(=O)N1N A114272 [0,1,0,1,0,0|2,0,0]=4 1834 B7R1.4 C=C1CCOC1=O M108009 [0,1,0,1,0,0|1,0,0]=3 1835 B7R1.4 CC1=CCCC1=O M165952 [0,1,0,1,0,0|2,0,0]=4 1836 B7R1.4 CC1=CCOC1=O M158201 [0,1,0,1,0,0|1,0,0]=3 1837 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|1,0,1]=4 1838 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|1,0,1]=4 1839 B7R1.4 CN1CCOC1=O M132701 [0,1,0,1,0,0|2,0,0]=4 1840 B7R1.18 C1C(CN1)C(=O)O A103105 [0,1,0,1,0,0|1,0,1]=4 1841 B7R1.18 C1C(CO1)C(=O)O O166062 [0,1,0,1,0,0|0,0,2]=4 1842 B7R1.18 C1CC(C1)C(=O)O C120879 [0,1,0,1,0,0|1,0,1]=4 1843 B7R1.18 C1CNC1C(=O)O A124088 [0,1,0,1,0,0|1,0,1]=4 1844 B7R1.18 C1CNC1C(=O)O A175896 [0,1,0,1,0,0|1,0,1]=4 1845 B7R1.18 C1CNC1C(=O)O R177416 [0,1,0,1,0,0|1,0,1]=4 1846 B7R1.19 C1CC1(C(=O)O)F F181343 [0,1,0,1,0,0|1,0,1]=4 1847 B7R1.19 C1CC1(C(=O)O)N A101238 [0,1,0,1,0,0|1,0,1]=4 1848 B7R1.19 C1CC1(C(=O)O)N A102433 [0,1,0,1,0,0|1,0,1]=4 1849 B7R1.19 C1CC1(C(=O)O)N A422646 [0,1,0,1,0,0|1,0,1]=4 1850 B7R1.19 CC1(CC1)C(=O)O M158058 [0,1,0,1,0,0|1,0,1]=4 1851 B7R1.22 COC(=O)C1CC1 M108025 [0,1,0,1,0,0|1,0,1]=4 1852 B7R1.22 COC(=O)C1CN1 M111108 [0,1,0,1,0,0|1,0,1]=4 1853 B7R1.22 COC(=O)C1CO1 G303748 [0,1,0,1,0,0|0,0,2]=4 1854 B7R1.22 COC(=O)C1CO1 M344543 [0,1,0,1,0,0|0,0,2]=4 1855 B7R1.22 COC(=O)C1CO1 S179901 [0,1,0,1,0,0|0,0,2]=4 1856 B7R0.6 C(#CC(=O)O)C(=O)O A113362 [0,0,0,0,0,2|1,0,0]=3 1857 B7R0.6 C(=CC(=O)Cl)C(=O)Cl F136211 [0,0,0,0,0,2|2,0,0]=4 1858 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [0,0,0,0,0,2|2,0,0]=4 1859 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [0,0,0,0,0,2|2,0,0]=4 1860 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [0,0,0,0,0,2|1,0,0]=3 1861 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,0,0,0,0,2|1,0,0]=3 1862 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,0,0,0,0,2|1,0,0]=3 1863 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,0,0,0,0,2|1,0,0]=3 1864 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,0,0,0,0,2|1,0,0]=3 1865 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,0,0,0,0,2|1,0,0]=3 1866 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,0,0,0,0,2|1,0,0]=3 1867 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,0,0,0,0,2|1,0,0]=3 1868 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,0,0,0,0,2|1,0,0]=3 1869 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,0,0,0,0,2|1,0,0]=3 1870 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,0,0,0,0,2|1,0,0]=3 1871 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,0,0,0,0,2|1,0,0]=3 1872 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,0,0,0,0,2|1,0,0]=3 1873 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,0,0,0,0,2|1,0,0]=3 1874 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [0,0,0,0,0,2|1,0,0]=3 1875 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] D154295 [0,0,0,0,0,2|1,0,1]=4 1876 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] I302832 [0,0,0,0,0,2|1,0,1]=4 1877 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] M134639 [0,0,0,0,0,2|1,0,1]=4 1878 B7R0.6 C(=O)(N)NNC(=O)N B165906 [0,0,0,0,0,2|2,0,0]=4 1879 B7R0.6 C(C(=O)O)N=C(N)N G156848 [0,0,0,0,0,2|2,0,0]=4 1880 B7R0.6 C(C(=O)O)NC(=O)N H157226 [0,0,0,0,0,2|1,0,0]=3 1881 B7R0.6 C(C(=O)O)SC(=N)N S303941 [0,0,0,0,0,2|2,0,0]=4 1882 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [0,0,0,0,0,2|2,0,0]=4 1883 B7R0.6 C(CC(=O)N)C(=O)N S161127 [0,0,0,0,0,2|2,0,0]=4 1884 B7R0.6 C(CC(=O)O)C(=O)O P111885 [0,0,0,0,0,2|1,0,0]=3 1885 B7R0.6 C(CC(=O)O)C(=O)O S108852 [0,0,0,0,0,2|1,0,0]=3 1886 B7R0.6 C(CC(=O)O)C(=O)O S108853 [0,0,0,0,0,2|1,0,0]=3 1887 B7R0.6 C(CC(=O)O)C(=O)O S108854 [0,0,0,0,0,2|1,0,0]=3 1888 B7R0.6 C(CC(=O)O)C(=O)O S108855 [0,0,0,0,0,2|1,0,0]=3 1889 B7R0.6 C(CC(=O)O)C(=O)O S108856 [0,0,0,0,0,2|1,0,0]=3 1890 B7R0.6 C(CC(=O)O)C(=O)O S303059 [0,0,0,0,0,2|1,0,0]=3 1891 B7R0.6 C(CC(=O)O)C(=O)O S346179 [0,0,0,0,0,2|1,0,0]=3 1892 B7R0.6 C(CC(=O)O)C(=O)O S420589 [0,0,0,0,0,2|1,0,0]=3 1893 B7R0.6 C(CC(=O)O)C(=O)O S431423 [0,0,0,0,0,2|1,0,0]=3 1894 B7R0.6 C(CC(=O)O)C(=O)O S431424 [0,0,0,0,0,2|1,0,0]=3 1895 B7R0.6 C(CC(=O)O)C(=O)O S472090 [0,0,0,0,0,2|1,0,0]=3 1896 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [0,0,0,0,0,2|1,0,0]=3 1897 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [0,0,0,0,0,2|1,0,1]=4 1898 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [0,0,0,0,0,2|1,0,1]=4 1899 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [0,0,0,0,0,2|1,0,1]=4 1900 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [0,0,0,0,0,2|1,0,1]=4 1901 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [0,0,0,0,0,2|1,0,1]=4 1902 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [0,0,0,0,0,2|1,0,1]=4 1903 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [0,0,0,0,0,2|1,0,1]=4 1904 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [0,0,0,0,0,2|2,0,0]=4 1905 B7R0.6 CC(=C)COC(=O)C M158238 [0,0,0,0,0,2|2,0,0]=4 1906 B7R0.6 CC(=NNC(=O)N)C A112969 [0,0,0,0,0,2|2,0,0]=4 1907 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,0,2|1,0,0]=3 1908 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,0,2|1,0,0]=3 1909 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,0,2|1,0,0]=3 1910 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,0,2|0,0,0]=2 1911 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,0,2|0,0,0]=2 1912 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,0,2|0,0,0]=2 1913 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,0,2|0,0,0]=2 1914 B7R0.6 CC(=O)COC(=O)C A151657 [0,0,0,0,0,2|1,0,0]=3 1915 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,0,2|0,0,0]=2 1916 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,0,0,0,0,2|1,0,0]=3 1917 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,0,2|0,0,0]=2 1918 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,0,2|0,0,0]=2 1919 B7R0.6 CC(=S)NCC(=O)O N159832 [0,0,0,0,0,2|0,1,0]=3 1920 B7R0.6 CC(C)C=CC(=O)O M158379 [0,0,0,0,0,2|1,0,1]=4 1921 B7R0.6 CC(C)CCC(=O)O M117869 [0,0,0,0,0,2|1,0,1]=4 1922 B7R0.6 CN(C)CCC(=O)O D132248 [0,0,0,0,0,2|2,0,0]=4 1923 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,0,0,0,0,2|2,0,0]=4