0 B8R0.37 C(=O)(C(C(=O)[O-])(O)O)[O-] S131484 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.37 CC(C)(C(=O)Cl)C(=O)Cl D154503 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.37 CC(C)(C(=O)O)C(=O)O D139051 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.37 CC(C)C(C)(C(=O)N)N A184403 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.37 CC(C)C(C)(C(=O)O)N A354426 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.37 CC(C)C(C)(C(=O)O)N M107879 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.13 CC(C)(C#N)C(=O)O C483479 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.13 CC(C)(C(=O)O)NC M464376 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.13 CC(C)(CCl)C(=O)O C153460 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.13 CC(C)(CF)C(=O)O F194366 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.13 CC(C)(CO)C(=O)O H138895 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.13 CC(CBr)(C(=O)O)O R160936 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.13 CC(CO)(C(=O)O)N A118304 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.13 CCC(C(=O)O)(F)F D168890 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.13 CCC(C)(C(=O)O)N H353441 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.13 CCC(C)(C(=O)O)N I118303 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.13 CCC(C)(C(=O)O)O H133323 [1,0,0,0,0,0|0,0,1]=2 17 B7R0.13 CCC(C)(C)C(=O)Cl D128094 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.13 CCC(C)(C)C(=O)O D102023 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.16 C(C(=O)N)(C(=O)N)N A185601 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.16 CC(C(=O)O)C(=O)O M158074 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.16 CC(C(C(=O)O)N)O L425658 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.16 CC(C(C(=O)O)N)O L471819 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.16 CC(C(C(=O)O)N)O S138236 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.16 CC(C(C(=O)O)N)O S161020 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.16 CC(C(C(=O)O)N)O T100459 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.16 CC(C(C(=O)O)N)O T100954 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.16 CC(C(C(=O)O)N)O T108221 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.16 CC(C(C(=O)O)N)O T108222 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.16 CC(C(C(=O)O)N)O T114829 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.16 CC(C)C(C(=O)O)Br B101869 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.16 CC(C)C(C(=O)O)Br B102423 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.16 CC(C)C(C(=O)O)N L358417 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.16 CC(C)C(C(=O)O)N L425655 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.16 CC(C)C(C(=O)O)N V101067 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.16 CC(C)C(C(=O)O)N V103487 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.16 CC(C)C(C(=O)O)N V104896 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.16 CC(C)C(C(=O)O)N V139523 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.16 CC(C)C(C(=O)O)O H137225 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.16 CC(C)C(C(=O)O)O S167911 [1,0,0,0,0,0|1,0,1]=3 43 B9R0.28 CC(=O)C(C)(C(=O)OC)O M343888 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.28 CC(=O)C(C)(C)C(=O)OC M193150 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.28 CC(C)(C(=O)O)C(=O)OC M586941 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.80 CC(C(=O)O)(C(F)(F)F)O R138854 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.80 CC(C(=O)O)(C(F)(F)F)O S138547 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.80 CC(C(=O)O)(C(F)(F)F)O T162533 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.165 CC(C1CC1)(C(=O)O)N C171029 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.168 C1CC1(C(=O)O)C(=O)O C133934 [0,0,0,1,0,0|2,0,0]=3 51 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl A151622 [0,0,0,0,0,1|2,0,0]=3 52 B9R0.11 CC(C)(CC(=O)O)C(=O)O D107306 [0,0,0,0,0,1|2,0,0]=3 53 B9R0.11 CC(C)CC(C)(C(=O)O)N H352866 [0,0,0,0,0,1|2,0,1]=4 54 B9R0.11 CC(CC(=O)[O-])(C(=O)[O-])O P464056 [0,0,0,0,0,1|1,0,1]=3 55 B6R0.3 C(C(C(=O)O)O)N I123583 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.3 C(C(C(=O)O)O)N S137278 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 C(C(C(=O)O)O)O D278734 [2,0,0,0,0,0|0,0,2]=4 58 B6R0.3 CC(=NO)C(=O)C D111028 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.3 CC(=NO)C(=O)C D111029 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.3 CC(=O)N(C)C=C N124471 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.3 CC(C(=O)O)NC I133832 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.3 CC(C(=O)O)NC I135858 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.3 CC(C(=O)O)NC N303350 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.3 CC(C(=O)O)OC M193402 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 CC(C(=O)O)OC P477810 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 CC(C=C)C(=O)O M404731 [2,0,0,0,0,0|0,0,1]=3 67 B6R0.3 CC(CBr)C(=O)O B135992 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.3 CC(CN)C(=O)O D131745 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.3 CC(CN)C(=O)O R340811 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.3 CC(CN)C(=O)O S340803 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.3 CC(CO)C(=O)O R343446 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.3 CC(CS)C(=O)O M158216 [2,0,0,0,0,0|0,1,1]=4 73 B6R0.3 CC=C(C)C(=O)C M158812 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.3 CC=C(C)C(=O)C M401547 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.3 CC=C(C)C(=O)Cl T161611 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.3 CC=C(C)C(=O)O B137277 [2,0,0,0,0,0|0,0,1]=3 77 B6R0.3 CC=C(C)C(=O)O T107164 [2,0,0,0,0,0|0,0,1]=3 78 B6R0.3 CCC(C(=O)O)Br B108037 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.3 CCC(C(=O)O)Cl C153465 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.3 CCC(C(=O)O)Cl S161173 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.3 CCC(C(=O)O)N A109788 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.3 CCC(C(=O)O)N A111241 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 CCC(C(=O)O)N A111260 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.3 CCC(C(=O)O)N A414642 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.3 CCC(C(=O)O)N D422924 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 CCC(C(=O)O)O D298806 [2,0,0,0,0,0|0,0,1]=3 87 B6R0.3 CCC(C(=O)O)O S192800 [2,0,0,0,0,0|0,0,1]=3 88 B6R0.3 CCC(C(=O)[O-])O H101414 [2,0,0,0,0,0|0,0,2]=4 89 B6R0.3 CCC(C)C(=O)C M158800 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.3 CCC(C)C(=O)O I167890 [2,0,0,0,0,0|0,0,1]=3 91 B6R0.3 CCC(C)C(=O)O M107377 [2,0,0,0,0,0|0,0,1]=3 92 B6R0.7 CC(=O)C(C)(C)Br B151949 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.7 CC(=O)C(C)(C)C P186447 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.7 CC(=O)C(C)(C)O H138057 [2,0,0,0,0,0|0,0,1]=3 95 B6R0.7 CC(C(=O)O)(Cl)Cl D114722 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.7 CC(C(=O)O)(Cl)Cl D140875 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.7 CC(C(=O)O)(F)F W135486 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.7 CC(C)(C(=O)Br)Br B106971 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.7 CC(C)(C(=O)N)Br B152951 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.7 CC(C)(C(=O)N)O H156960 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.7 CC(C)(C(=O)O)Br B106968 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.7 CC(C)(C(=O)O)N A117156 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.7 CC(C)(C(=O)O)O H113439 [2,0,0,0,0,0|0,0,0]=2 104 B6R0.7 CC(C)(C(=O)O)O H474834 [2,0,0,0,0,0|0,0,0]=2 105 B6R0.7 CC(C)(C)C(=O)N P160454 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.7 CC(C)(C)C(=O)O P101329 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.7 CC(C)(C)C(=O)[O-] C153540 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.7 CC(C)(C)C(=O)[O-] P299607 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.7 CC(C)(C)C(=O)[O-] S160973 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.7 CC(C)(C)C(=O)[O-] S302271 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.7 CC(C)(C)C(=O)[O-] Z587448 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.8 CC(C)(CO)C=O H304097 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.2 C(C(=O)N)C(=O)N M104019 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.2 C(C(=O)N)C(=O)O M168857 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.2 C(C(=O)O)C(=O)O M103513 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.2 C(C(=O)O)C(=O)O M103514 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.2 C(C(=O)O)C(=O)O M305754 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.2 C(C(=O)O)C(=O)O M421547 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.2 CC(=CC(=O)C)O A118525 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.2 CC(=CC(=O)C)O A118538 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.2 CC(=CC(=O)C)O A579873 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.2 CC(=CC(=O)C)O B152272 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.2 CC(=CC(=O)C)O C109323 [2,0,0,0,0,0|1,0,1]=4 127 B6R0.2 CC(=CC(=O)C)O C140817 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.2 CC(=CC(=O)C)O C283471 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.2 CC(=CC(=O)C)O C486854 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.2 CC(=CC(=O)C)O D302912 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.2 CC(=CC(=O)C)O E302901 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.2 CC(=CC(=O)C)O E347622 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(=CC(=O)C)O G304265 [2,0,0,0,0,0|1,0,1]=4 134 B6R0.2 CC(=CC(=O)C)O H107857 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.2 CC(=CC(=O)C)O I138305 [2,0,0,0,0,0|1,0,1]=4 136 B6R0.2 CC(=CC(=O)C)O I294571 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.2 CC(=CC(=O)C)O M106182 [2,0,0,0,0,0|1,0,1]=4 138 B6R0.2 CC(=CC(=O)C)O P101065 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.2 CC(=CC(=O)C)O P119025 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.2 CC(=CC(=O)C)O P119026 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.2 CC(=CC(=O)C)O P293928 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.2 CC(=CC(=O)C)O R118502 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.2 CC(=CC(=O)C)O R118539 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.2 CC(=CC(=O)C)O R118540 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.2 CC(=CC(=O)C)O R294372 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.2 CC(=CC(=O)C)O R639975 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.2 CC(=CC(=O)C)O S298504 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.2 CC(=CC(=O)C)O T283063 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.2 CC(=CC(=O)C)O T302818 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.2 CC(=CC(=O)C)O T302908 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.2 CC(=CC(=O)C)O V109324 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.2 CC(=CC(=O)C)O V109325 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.2 CC(=CC(=O)C)O Y191992 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.2 CC(=CC(=O)C)O Y283039 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.2 CC(=CC(=O)O)C D102028 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.2 CC(=O)CC(=O)C A110366 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.2 CC(=O)CC(=O)C A110367 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.2 CC(=O)CC(=O)C A110370 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.2 CC(=O)CC(=O)N A194123 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.2 CC(=O)CC(=O)[O-] L102932 [2,0,0,0,0,0|0,0,1]=3 161 B6R0.2 CC(=O)CC(=O)[O-] L490061 [2,0,0,0,0,0|0,0,1]=3 162 B6R0.2 CC(=O)NC(=O)N A114125 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.2 CC(=O)OC(=O)C A302240 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.2 CC(=O)OC(=O)C A474130 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.2 CC(=O)SC(=O)C A151355 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.2 CC(C)CC(=O)O I108280 [2,0,0,0,0,0|1,0,1]=4 169 B6R0.2 CC(C)CC(=O)O I108281 [2,0,0,0,0,0|1,0,1]=4 170 B6R0.2 CC(C)CC(=O)O I424338 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.2 CC(C)CC(=O)O I432771 [2,0,0,0,0,0|1,0,1]=4 172 B6R0.2 CC(CC(=O)O)Br B169132 [2,0,0,0,0,0|1,0,1]=4 173 B6R0.2 CC(CC(=O)O)Cl C153466 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.2 CC(CC(=O)O)N A100948 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.2 CC(CC(=O)O)N H117041 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.2 CC(CC(=O)O)N R184127 [2,0,0,0,0,0|1,0,1]=4 177 B6R0.2 CC(CC(=O)O)N S193074 [2,0,0,0,0,0|1,0,1]=4 178 B6R0.2 CC(CC(=O)O)O P347707 [2,0,0,0,0,0|0,0,2]=4 179 B6R0.2 CC(CC(=O)O)O R304188 [2,0,0,0,0,0|0,0,2]=4 180 B6R0.2 CC(CC(=O)O)O R425172 [2,0,0,0,0,0|0,0,2]=4 181 B6R0.2 CC(CC(=O)O)O S161108 [2,0,0,0,0,0|0,0,2]=4 182 B6R0.2 CC(CC(=O)O)O S194215 [2,0,0,0,0,0|0,0,2]=4 183 B6R0.2 CN(C)CC(=O)O D115675 [2,0,0,0,0,0|2,0,0]=4 184 B6R0.2 CN(C)CC(=O)O N159831 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.2 CN(C)CC(=O)O N420632 [2,0,0,0,0,0|2,0,0]=4 186 B8R0.12 CC(C)(CC=C)C(=O)O W132414 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.12 CC(CC=C)(C(=O)O)N R465192 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.12 CCCC(C)(C)C(=O)O D154848 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.13 CC(C)(C=O)C(=O)OC M587124 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.13 CC(C)(CO)C(=O)OC M138208 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.36 CC(=O)C(C)(OC)OC D122574 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.36 CC(C(=O)N)(OC)OC D405581 [1,1,0,0,0,0|2,0,0]=4 193 B8R0.36 CC(CO)(CO)C(=O)O B104539 [1,1,0,0,0,0|0,0,2]=4 194 B8R0.36 CCC(CC)(C(=O)O)N A183201 [1,1,0,0,0,0|1,0,1]=4 195 B8R0.36 CCC(CC)(C(=O)O)O E474701 [1,1,0,0,0,0|0,0,1]=3 196 B8R0.2 CC(=O)C(C(=O)OC)Cl M135839 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.2 CCC(C)C(C(=O)O)O H351180 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.18 CC(C(C(=O)O)NC)O N465019 [1,1,0,0,0,0|0,0,2]=4 199 B8R0.18 CC(C)C(C(=O)O)NC I137132 [1,1,0,0,0,0|1,0,1]=4 200 B8R0.18 CC(C)C(CN)C(=O)O I166834 [1,1,0,0,0,0|1,0,1]=4 201 B8R0.18 CCC(C(=O)C)C(=O)C E156452 [1,1,0,0,0,0|1,0,0]=3 202 B8R0.18 CCC(C(=O)O)C(=O)O E156173 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.27 C(C(=O)O)(O)P(=O)(O)O H192224 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.27 CC(C)(C)C(C(=O)O)O S470627 [1,1,0,0,0,0|1,0,1]=4 205 B10R0.141 CC(C)(CC(=O)O)C(=O)OC C347909 [0,1,0,0,0,1|1,0,0]=3 206 B10R0.36 CCOC(=O)C(C)(C)C(=O)Cl C345501 [0,2,0,0,0,0|2,0,0]=4 207 B10R0.142 CC(C)(C(=O)OC)C(=O)OC D352151 [0,2,0,0,0,0|1,0,0]=3 208 B10R0.159 CCC(CC)(C(=O)O)C(=O)O D472481 [0,2,0,0,0,0|2,0,0]=4 209 B8R1.19 CC1(CCOC1=O)C A151224 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.78 C1CC(C1)(C(=O)O)N A102435 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.78 C1CC(C1)(C(=O)O)N A151474 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.78 C1CC(C1)(C(=O)O)O H176443 [1,0,0,1,0,0|0,0,1]=3 213 B8R1.78 CC1(CCC1)C(=O)O M176146 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [1,0,0,1,0,0|0,0,2]=4 215 B8R1.50 C1CC(=O)N(C1=O)O H109330 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.50 CC1=C(C(=O)CO1)O H120034 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.50 CC1C(=O)CCC1=O M136868 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.50 CN1C(=O)CCC1=O N159128 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.77 CC1(CC1C(=O)O)C D194933 [1,0,0,1,0,0|1,0,1]=4 220 B8R1.77 CC1(CC1C(=O)O)C S161036 [1,0,0,1,0,0|1,0,1]=4 221 B10R1.291 CC(=O)C1(CCOC1=O)C A354550 [0,1,0,1,0,0|1,0,0]=3 222 B10R1.425 COC(=O)C1(CC1)C(=O)O C108022 [0,1,0,1,0,0|1,0,0]=3 223 B10R1.364 C1CC(C1)(C(=O)O)C(=O)O C102027 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.364 C1CC(C1)(C(=O)O)C(=O)O C110682 [0,1,0,1,0,0|2,0,0]=4 225 B10R1.364 C1CC(C1)(C(=O)O)C(=O)O C295384 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.364 C1CC(C1)(C(=O)O)C(=O)O C423884 [0,1,0,1,0,0|2,0,0]=4 227 B8R0.34 CCC(C)(CC(=O)O)O H156962 [1,0,0,0,0,1|0,0,1]=3 228 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [1,0,0,0,0,1|2,0,0]=4 229 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [1,0,0,0,0,1|2,0,0]=4 230 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [1,0,0,0,0,1|2,0,0]=4 231 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [1,0,0,0,0,1|2,0,0]=4 232 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [1,0,0,0,0,1|2,0,0]=4 233 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [1,0,0,0,0,1|2,0,0]=4 234 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [1,0,0,0,0,1|2,0,0]=4 235 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [1,0,0,0,0,1|2,0,0]=4 236 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [1,0,0,0,0,1|2,0,0]=4 237 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [1,0,0,0,0,1|2,0,0]=4 238 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [1,0,0,0,0,1|2,0,0]=4 239 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [1,0,0,0,0,1|2,0,0]=4 240 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [1,0,0,0,0,1|2,0,0]=4 241 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [1,0,0,0,0,1|2,0,0]=4 242 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [1,0,0,0,0,1|2,0,0]=4 243 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [1,0,0,0,0,1|2,0,0]=4 244 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [1,0,0,0,0,1|2,0,0]=4 245 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [1,0,0,0,0,1|2,0,0]=4 246 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [1,0,0,0,0,1|2,0,0]=4 247 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [1,0,0,0,0,1|2,0,0]=4 248 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [1,0,0,0,0,1|2,0,0]=4 249 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [1,0,0,0,0,1|2,0,0]=4 250 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [1,0,0,0,0,1|2,0,0]=4 251 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [1,0,0,0,0,1|2,0,0]=4 252 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [1,0,0,0,0,1|2,0,0]=4 253 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [1,0,0,0,0,1|2,0,0]=4 254 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [1,0,0,0,0,1|2,0,0]=4 255 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [1,0,0,0,0,1|2,0,0]=4 256 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [1,0,0,0,0,1|2,0,0]=4 257 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [1,0,0,0,0,1|1,0,0]=3 258 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [1,0,0,0,0,1|1,0,0]=3 259 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [1,0,0,0,0,1|1,0,0]=3 260 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [1,0,0,0,0,1|1,0,0]=3 261 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [1,0,0,0,0,1|1,0,0]=3 262 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [1,0,0,0,0,1|1,0,0]=3 263 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [1,0,0,0,0,1|1,0,0]=3 264 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [1,0,0,0,0,1|1,0,0]=3 265 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [1,0,0,0,0,1|1,0,0]=3 266 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [1,0,0,0,0,1|1,1,0]=4 267 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [1,0,0,0,0,1|2,0,0]=4 268 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [1,0,0,0,0,1|2,0,0]=4 269 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [1,0,0,0,0,1|2,0,0]=4 270 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [1,0,0,0,0,1|2,0,0]=4 271 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [1,0,0,0,0,1|2,0,0]=4 272 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] C305183 [1,0,0,0,0,1|1,0,1]=4 273 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D154290 [1,0,0,0,0,1|1,0,1]=4 274 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D302750 [1,0,0,0,0,1|1,0,1]=4 275 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] L332299 [1,0,0,0,0,1|1,0,1]=4 276 B8R0.23 CC(=CC(=O)O)C(=O)O C153469 [1,0,0,0,0,1|1,0,1]=4 277 B8R0.23 CC(=CC(=O)O)C(=O)O C424293 [1,0,0,0,0,1|1,0,1]=4 278 B8R0.23 CC(=CC(=O)O)C(=O)O M158069 [1,0,0,0,0,1|1,0,1]=4 279 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [1,0,0,0,0,1|0,0,2]=4 280 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [1,0,0,0,0,1|1,0,0]=3 281 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [1,0,0,0,0,1|1,0,0]=3 282 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [1,0,0,0,0,1|1,0,0]=3 283 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [1,0,0,0,0,1|0,0,0]=2 284 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [1,0,0,0,0,1|0,0,0]=2 285 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [1,0,0,0,0,1|0,0,0]=2 286 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [1,0,0,0,0,1|0,0,0]=2 287 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [1,0,0,0,0,1|0,0,0]=2 288 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [1,0,0,0,0,1|0,0,0]=2 289 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [1,0,0,0,0,1|0,0,0]=2 290 B8R0.23 CC(C)CC(C(=O)O)O L421425 [1,0,0,0,0,1|1,0,1]=4 291 B8R0.23 CC(C)CC(C(=O)O)O R182597 [1,0,0,0,0,1|1,0,1]=4 292 B8R0.23 CC(C)CC(C(=O)O)O S161033 [1,0,0,0,0,1|1,0,1]=4 293 B8R0.23 CC(C)CC(C(=O)O)O S161215 [1,0,0,0,0,1|1,0,1]=4 294 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [1,0,0,0,0,1|0,0,0]=2 295 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [1,0,0,0,0,1|0,0,0]=2 296 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [1,0,0,0,0,1|1,0,0]=3 297 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [1,0,0,0,0,1|2,0,0]=4 298 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [1,0,0,0,0,1|2,0,0]=4 299 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D102790 [0,0,0,0,0,2|2,0,0]=4 300 B10R0.165 CC(C)(CC(=O)O)CC(=O)O D138897 [0,0,0,0,0,2|2,0,0]=4 301 B10R0.165 CC(CC(=O)O)(CC(=O)O)O H137616 [0,0,0,0,0,2|1,0,0]=3