0 B7R0.6 C(#CC(=O)O)C(=O)O A113362 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 C(=CC(=O)Cl)C(=O)Cl F136211 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,0,0,0,0,0|0,0,0]=0 12 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,0,0,0,0,0|0,0,0]=0 14 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,0,0,0,0,0|0,0,0]=0 17 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [0,0,0,0,0,0|0,0,1]=1 19 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] D154295 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] I302832 [0,0,0,0,0,0|0,0,2]=2 21 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] M134639 [0,0,0,0,0,0|0,0,2]=2 22 B7R0.6 C(=O)(N)NNC(=O)N B165906 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.6 C(C(=O)O)N=C(N)N G156848 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 C(C(=O)O)NC(=O)N H157226 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 C(C(=O)O)SC(=N)N S303941 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.6 C(CC(=O)N)C(=O)N S161127 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.6 C(CC(=O)O)C(=O)O P111885 [0,0,0,0,0,0|0,0,2]=2 29 B7R0.6 C(CC(=O)O)C(=O)O S108852 [0,0,0,0,0,0|0,0,2]=2 30 B7R0.6 C(CC(=O)O)C(=O)O S108853 [0,0,0,0,0,0|0,0,2]=2 31 B7R0.6 C(CC(=O)O)C(=O)O S108854 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.6 C(CC(=O)O)C(=O)O S108855 [0,0,0,0,0,0|0,0,2]=2 33 B7R0.6 C(CC(=O)O)C(=O)O S108856 [0,0,0,0,0,0|0,0,2]=2 34 B7R0.6 C(CC(=O)O)C(=O)O S303059 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.6 C(CC(=O)O)C(=O)O S346179 [0,0,0,0,0,0|0,0,2]=2 36 B7R0.6 C(CC(=O)O)C(=O)O S420589 [0,0,0,0,0,0|0,0,2]=2 37 B7R0.6 C(CC(=O)O)C(=O)O S431423 [0,0,0,0,0,0|0,0,2]=2 38 B7R0.6 C(CC(=O)O)C(=O)O S431424 [0,0,0,0,0,0|0,0,2]=2 39 B7R0.6 C(CC(=O)O)C(=O)O S472090 [0,0,0,0,0,0|0,0,2]=2 40 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [0,0,0,0,0,0|0,0,3]=3 41 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [0,0,0,0,0,0|0,0,4]=4 42 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [0,0,0,0,0,0|0,0,4]=4 43 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [0,0,0,0,0,0|0,0,4]=4 44 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [0,0,0,0,0,0|0,0,4]=4 45 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [0,0,0,0,0,0|0,0,4]=4 46 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [0,0,0,0,0,0|0,0,4]=4 47 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [0,0,0,0,0,0|0,0,4]=4 48 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [0,0,0,0,0,0|1,0,3]=4 49 B7R0.6 CC(=CC=C(C)C)C D103154 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,0,0|1,0,2]=3 54 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,0,0|1,0,2]=3 55 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,0,0|1,0,2]=3 56 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.6 CC(=O)COC(=O)C A151657 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.6 CC(=S)NCC(=O)O N159832 [0,0,0,0,0,0|2,1,1]=4 63 B7R0.6 CC(C)C=CC(=O)C M170732 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.6 CC(C)C=CC(=O)O M158379 [0,0,0,0,0,0|2,0,1]=3 65 B6R0.4 C(C(=O)O)NC=O N159822 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.4 C(C=CC(=O)O)Br B152770 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.4 C(C=CC(=O)O)O T341890 [1,0,0,0,0,0|0,0,1]=2 68 B6R0.4 C=CCCC(=O)O P160582 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.4 CC(=O)C=COC M113467 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CC(=O)C=COC M434875 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 CC=CCC(=O)O P165142 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 CCC=CC(=O)O T162309 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CN(C)C=CC=O D139445 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.9 C=CC(=O)NCC(=O)O A352738 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.9 CC(=O)C=CC(=O)OC M157976 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.9 CC(=O)C=CC(=O)OC M464501 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.9 CCC(=CCC(=O)O)C M193916 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.9 CNC(=O)C=CC(=O)O N159546 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.9 COC(=O)C=CC(=O)O M158075 [0,1,0,0,0,0|0,0,0]=1 90 B8R0.9 COC(=O)C=CC(=O)O M158861 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.9 COC(=O)C=CC(=O)O M422970 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.9 COC(=O)CCC(=O)N M158316 [0,1,0,0,0,0|1,0,2]=4 94 B8R0.9 COC(=O)CCC(=O)O M102991 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.23 C(C(=O)C(=O)O)C(=O)O O107187 [0,1,0,0,0,0|0,0,1]=2 97 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [0,1,0,0,0,0|0,0,2]=3 99 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,1,0,0,0,0|0,0,2]=3 110 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,1,0,0,0,0|0,0,2]=3 111 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,1,0,0,0,0|0,0,2]=3 112 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,1,0,0,0,0|0,0,2]=3 113 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,1,0,0,0,0|0,0,2]=3 114 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,1,0,0,0,0|0,0,2]=3 115 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,1,0,0,0,0|0,0,2]=3 116 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,1,0,0,0,0|0,0,2]=3 117 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,1,0,0,0,0|0,0,2]=3 118 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,1,0,0,0,0|0,0,2]=3 119 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,1,0,0,0,0|0,0,2]=3 120 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,1,0,0,0,0|0,0,2]=3 121 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,1,0,0,0,0|0,0,2]=3 122 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,1,0,0,0,0|0,0,2]=3 123 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,1,0,0,0,0|0,0,2]=3 124 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,1,0,0,0,0|0,0,2]=3 125 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,1,0,0,0,0|0,0,3]=4 126 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [0,1,0,0,0,0|0,0,2]=3 129 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [0,1,0,0,0,0|0,0,2]=3 130 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [0,1,0,0,0,0|0,0,2]=3 131 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [0,1,0,0,0,0|0,0,2]=3 132 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [0,1,0,0,0,0|0,0,2]=3 133 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [0,1,0,0,0,0|0,0,2]=3 134 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [0,1,0,0,0,0|0,0,2]=3 135 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [0,1,0,0,0,0|0,0,2]=3 136 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [0,1,0,0,0,0|0,0,2]=3 137 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,1,0,0,0,0|0,0,3]=4 138 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,1,0,0,0,0|0,0,3]=4 139 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,1,0,0,0,0|0,0,3]=4 140 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,1,0,0,0,0|0,0,3]=4 141 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,1,0,0,0,0|0,0,3]=4 142 B8R0.23 C=C(CC(=O)O)C(=O)O I106139 [0,1,0,0,0,0|0,0,1]=2 143 B8R0.23 C=C(CC(=O)O)C(=O)O I106140 [0,1,0,0,0,0|0,0,1]=2 144 B8R0.23 CC(=CC(=O)O)C(=O)O C153469 [0,1,0,0,0,0|0,0,0]=1 145 B8R0.23 CC(=CC(=O)O)C(=O)O C424293 [0,1,0,0,0,0|0,0,0]=1 146 B8R0.23 CC(=CC(=O)O)C(=O)O M158069 [0,1,0,0,0,0|0,0,0]=1 147 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,1,0,0,0,0|0,0,2]=3 158 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.29 C(=CC(F)(F)F)C(=O)O E589042 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.29 C(CP(=O)(O)O)C(=O)O P113856 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.29 CP(=O)(CCC(=O)O)O M133020 [0,1,0,0,0,0|1,0,2]=4 162 B8R1.3 C1=CC(=CC=C1N)O A100496 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.3 C1=CC(=CC=C1N)O A110564 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.3 C1=CC(=CC=C1N)O A110566 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.3 C1=CC(=CC=C1O)Br B100691 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.3 C1=CC(=CC=C1O)Br B100692 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.3 C1=CC(=CC=C1O)Cl C108253 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.3 C1=CC(=CC=C1O)Cl C108254 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.3 C1=CC(=CC=C1O)Cl C108255 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.3 C1=CC(=CC=C1O)Cl C108256 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.3 C1=CC(=CC=C1O)F F107127 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.3 C1=CC(=CC=C1O)I I107037 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.3 C1=CC(=CC=C1O)O H108945 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.3 C1=CC(=CC=C1O)O H108946 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.3 C1=CC(=CC=C1O)O H108947 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.3 C1=CC(=CC=C1O)O H431621 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.3 C1=CC(=CC=C1O)S M101786 [0,0,0,1,0,0|2,1,0]=4 178 B8R1.3 C1=CC(=NC=C1O)Br B102604 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.3 C1=CC(=NC=C1O)Br B399634 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.3 C1=CC(=NC=C1O)F F102601 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.3 C1=CC(=NC=C1O)N A185200 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.3 C1=CC(=NNC1=O)Br B193678 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.3 C1=CC(=NNC1=O)Cl C132941 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.3 C1=CC(=O)C=CC1=O B108670 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.3 C1=CC(=O)C=CC1=O B108671 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.3 C1=CC(=O)C=CC1=O B108672 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.3 C1=CC(=O)NC=C1Br B152104 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.3 C1=CC(=O)NC=C1Cl C136324 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.3 C1=CC(=O)NC=C1F F102599 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.3 C1=CC(=O)NC=C1I W131730 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.3 C1=CC(=O)NC=C1N A120454 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.3 C1=CC(=O)NNC1=O BWY397813 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.3 C1=CC(=O)NNC1=O BWY397816 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.3 C1=CC(=O)NNC1=O M112740 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.3 C1=CC(=O)NNC1=O M114938 [0,0,0,1,0,0|2,0,0]=3 198 B8R1.3 C1=CC(=O)NNC1=O M141506 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.3 C1C(=O)C=CC(O1)O H192951 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.3 CC1=CC=C(C=C1)O C108248 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.3 CC1=CC=C(C=C1)O C108249 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.3 CC1=CC=C(C=C1)O C108250 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.3 CC1=CC=C(C=C1)O C108251 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.3 CC1=CC=C(C=C1)O C108252 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.3 CC1=CC=C(C=C1)O C108640 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.3 CC1=CC=C(C=C1)O C108641 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.3 CC1=CC=C(C=C1)O C128202 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.3 CC1=CNC(=O)C=C1 H107715 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.3 CC1=NC=C(C=C1)O H156935 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.3 CC1=NNC(=O)C=C1 M157846 [0,0,0,1,0,0|3,0,0]=4 212 B8R1.23 C1C(CC1=O)C(=O)O O129102 [0,0,0,1,0,0|1,0,2]=4 213 B8R1.35 C1CC1C=CC(=O)O C176819 [0,0,0,1,0,0|2,0,1]=4 214 B6R0.2 C(=O)(N)NC(=O)N B111665 [0,0,0,0,1,0|3,0,0]=4 215 B6R0.2 C(=O)(N)NC(=O)N B111666 [0,0,0,0,1,0|3,0,0]=4 216 B6R0.2 C(=O)(N)NC(=O)N B196397 [0,0,0,0,1,0|3,0,0]=4 217 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,0,0,0,1,0|2,0,1]=4 218 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,0,0,0,1,0|2,0,1]=4 219 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,0,0,0,1,0|1,0,1]=3 220 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,0,0,0,1,0|0,0,1]=2 221 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,0,0,0,1,0|0,0,1]=2 222 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,0,0,0,1,0|0,0,1]=2 223 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,0,0,0,1,0|0,0,1]=2 224 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,0,0,0,1,0|0,0,3]=4 225 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,0,0,0,1,0|0,0,3]=4 226 B6R0.2 CC(=CC(=O)C)C M105926 [0,0,0,0,1,0|3,0,0]=4 227 B6R0.2 CC(=CC(=O)C)C M105927 [0,0,0,0,1,0|3,0,0]=4 228 B6R0.2 CC(=CC(=O)C)C M105928 [0,0,0,0,1,0|3,0,0]=4 229 B6R0.2 CC(=CC(=O)C)N F156686 [0,0,0,0,1,0|3,0,0]=4 230 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,1,0|2,0,0]=3 231 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,1,0|2,0,0]=3 232 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,1,0|2,0,0]=3 233 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,1,0|2,0,0]=3 234 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,1,0|2,0,0]=3 235 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,1,0|2,0,0]=3 236 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,1,0|2,0,0]=3 237 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,1,0|2,0,0]=3 238 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,1,0|2,0,0]=3 239 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,1,0|2,0,0]=3 240 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,1,0|2,0,0]=3 241 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,1,0|2,0,0]=3 242 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,1,0|2,0,0]=3 243 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,1,0|2,0,0]=3 244 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,1,0|2,0,0]=3 245 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,1,0|2,0,0]=3 246 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,1,0|2,0,0]=3 247 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,1,0|2,0,0]=3 248 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,1,0|2,0,0]=3 249 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,1,0|2,0,0]=3 250 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,1,0|2,0,0]=3 251 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,1,0|2,0,0]=3 252 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,1,0|2,0,0]=3 253 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,1,0|2,0,0]=3 254 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,1,0|2,0,0]=3 255 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,1,0|2,0,0]=3 256 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,1,0|2,0,0]=3 257 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,1,0|2,0,0]=3 258 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,1,0|2,0,0]=3 259 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,1,0|2,0,0]=3 260 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,1,0|2,0,0]=3 261 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,1,0|2,0,0]=3 262 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,1,0|2,0,0]=3 263 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,0,0,0,1,0|2,0,1]=4 264 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,0,0,0,1,0|2,0,1]=4 265 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,0,0,0,1,0|2,0,1]=4 266 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,0,0,0,1,0|2,0,1]=4 267 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,0,0,0,1,0|2,0,1]=4 268 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,0,0,0,1,0|2,0,1]=4 269 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,0,0,0,1,0|2,0,1]=4 270 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,0,0,0,1,0|2,0,1]=4 271 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,0,0,0,1,0|2,0,1]=4 272 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,0,0,0,1,0|2,0,1]=4 273 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,0,0,0,1,0|2,0,1]=4 274 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,0,0,0,1,0|2,0,1]=4 275 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,0,0,0,1,0|2,0,1]=4 276 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,0,0,0,1,0|2,0,1]=4 277 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,0,0,0,1,0|2,0,1]=4 278 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,0,0,0,1,0|2,0,1]=4 279 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,0,0,0,1,0|2,0,1]=4 280 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,0,0,0,1,0|2,0,1]=4 281 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,0,0,0,1,0|2,0,1]=4 282 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,0,0,0,1,0|3,0,0]=4 283 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,1,0|2,0,0]=3 284 B6R0.2 CC(=O)CC(=O)C A110366 [0,0,0,0,1,0|2,0,1]=4 285 B6R0.2 CC(=O)CC(=O)C A110367 [0,0,0,0,1,0|2,0,1]=4 286 B6R0.2 CC(=O)CC(=O)C A110370 [0,0,0,0,1,0|2,0,1]=4 287 B6R0.2 CC(=O)CC(=O)N A194123 [0,0,0,0,1,0|2,0,1]=4 288 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,0,0,0,1,0|1,0,2]=4 289 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,0,0,0,1,0|1,0,2]=4 290 B6R0.2 CC(=O)NC(=O)N A114125 [0,0,0,0,1,0|3,0,0]=4 291 B6R0.2 CC(=O)OC(=O)C A302240 [0,0,0,0,1,0|3,0,0]=4 292 B6R0.2 CC(=O)OC(=O)C A474130 [0,0,0,0,1,0|3,0,0]=4 293 B6R0.2 CC(=O)SC(=O)C A151355 [0,0,0,0,1,0|3,0,0]=4 294 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,0,0,0,1,0|2,0,1]=4 295 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,0,0,0,1,0|2,0,1]=4 296 B6R0.2 CC(CC(=O)O)O P347707 [0,0,0,0,1,0|1,0,2]=4 297 B6R0.2 CC(CC(=O)O)O R304188 [0,0,0,0,1,0|1,0,2]=4 298 B6R0.2 CC(CC(=O)O)O R425172 [0,0,0,0,1,0|1,0,2]=4 299 B6R0.2 CC(CC(=O)O)O S161108 [0,0,0,0,1,0|1,0,2]=4 300 B6R0.2 CC(CC(=O)O)O S194215 [0,0,0,0,1,0|1,0,2]=4 301 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [0,0,0,0,0,1|1,0,2]=4 302 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [0,0,0,0,0,1|0,0,2]=3 303 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [0,0,0,0,0,1|0,0,2]=3 304 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [0,0,0,0,0,1|0,0,2]=3 305 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [0,0,0,0,0,1|1,0,2]=4 306 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [0,0,0,0,0,1|0,0,2]=3 307 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [0,0,0,0,0,1|0,0,2]=3 308 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [0,0,0,0,0,1|0,0,2]=3 309 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [0,0,0,0,0,1|1,0,2]=4 310 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [0,0,0,0,0,1|1,0,2]=4 311 B8R0.28 CC(=CC=CC(=O)C)C M132660 [0,0,0,0,0,1|3,0,0]=4 312 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,0,0,0,0,1|1,0,2]=4 313 B8R0.28 CC(=O)NCCC(=O)O N133308 [0,0,0,0,0,1|1,0,2]=4 314 B8R0.28 CC(=O)SCCC(=O)O A136318 [0,0,0,0,0,1|1,0,2]=4 315 B8R0.28 CN(C)CC=CC(=O)O E177613 [0,0,0,0,0,1|3,0,0]=4 316 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|0,0,2]=4 317 B5R0.1 C=CCC(=O)O B152769 [2,0,0,0,0,0|0,0,1]=3 318 B5R0.1 C=CCC(=O)O B152771 [2,0,0,0,0,0|0,0,1]=3 319 B5R0.1 CC(=CC=O)C M158692 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 CC(=O)NC=C N159504 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 CC(=O)OC=C P101483 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 CC(=O)OC=C P101485 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 CC(=O)OC=C P101486 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 CC(=O)OC=C P301634 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.1 CC(=O)OC=C P304876 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.1 CC(=O)OC=C P304877 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 CC(=O)OC=C P304879 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 CC(=O)OC=C P304880 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.1 CC(=O)OC=C P304881 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.1 CC(=O)OC=C P432376 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 CC(=O)OC=C P489072 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 CC(=O)OC=C V104470 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 CC(=O)OC=C V104471 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 CC(=O)OC=C V104472 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.1 CC=CC(=O)Cl C102055 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.1 CC=CC(=O)Cl C153881 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CC=CC(=O)N C153720 [2,0,0,0,0,0|1,0,1]=4 339 B5R0.1 CC=CC(=O)O C104149 [2,0,0,0,0,0|0,0,1]=3 340 B5R0.1 CC=CC(=O)O C104150 [2,0,0,0,0,0|0,0,1]=3 341 B5R0.2 C(=NO)C=NO G340799 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.2 C(=O)NNC=O W135234 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.2 C(C=CCO)O B107560 [2,0,0,0,0,0|0,0,2]=4 344 B5R0.2 C(C=CCO)O B111227 [2,0,0,0,0,0|0,0,2]=4 345 B5R0.2 C(C=CCO)O T162684 [2,0,0,0,0,0|0,0,2]=4 346 B5R0.2 CC=CC=CC H113628 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.2 CCC=CC=O T161487 [2,0,0,0,0,0|1,0,1]=4 348 B7R0.3 CCC(C=CC=O)O E347259 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.3 COC(=O)C=CC=C M167458 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.3 COC(=O)C=CC=O M158237 [1,1,0,0,0,0|0,0,0]=2 351 B7R0.3 COC(=O)C=CCBr M137638 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.3 COC(=O)C=CCBr M158855 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.3 COC=CC(=O)OC M105075 [1,1,0,0,0,0|2,0,0]=4 354 B7R0.3 COC=CC(=O)OC M135197 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.4 CC=CC=CC(=O)C H156931 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.4 CC=CC=CC(=O)O H431430 [1,1,0,0,0,0|1,0,0]=3 357 B7R0.4 CC=CC=CC(=O)O S101106 [1,1,0,0,0,0|1,0,0]=3 358 B7R0.4 CC=CC=CC(=O)O S101108 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.4 CC=CC=CC(=O)O S101109 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.4 CC=CC=CC(=O)O S101111 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.4 CC=CC=CC(=O)O S420601 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.4 CC=CC=CC(=O)[O-] P103845 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.4 CC=CC=CC(=O)[O-] P103846 [1,1,0,0,0,0|1,0,1]=4 364 B7R0.4 CC=CC=CC(=O)[O-] P103847 [1,1,0,0,0,0|1,0,1]=4 365 B7R0.4 CC=CC=CC(=O)[O-] P422842 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.4 CC=CC=CC(=O)[O-] S161310 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.4 CCC=CCC(=O)O H101494 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.4 CCCC=CC(=O)O H107513 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.4 CCCC=CC(=O)O H400070 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.4 CCOC=CC(=O)O E185593 [1,1,0,0,0,0|1,0,1]=4 371 B7R0.4 COCC=CC(=O)O E589767 [1,1,0,0,0,0|0,0,1]=3 372 B7R0.5 CC(C(=O)O)NC=O N159048 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.5 CCC=C(C)C(=O)O M102542 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.5 CCC=C(C)C(=O)O M107371 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.9 C(C(=O)O)P(=O)(O)O P344747 [0,1,0,0,1,0|1,0,1]=4 376 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,1,0,0,1,0|0,0,1]=3 377 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,1,0,0,1,0|0,0,1]=3 378 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,1,0,0,1,0|0,0,1]=3 379 B9R0.1 COC(=O)CCCC(=O)O M102986 [0,1,0,0,0,1|0,0,2]=4 380 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,1,0,0,0,1|0,0,1]=3 381 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,1,0,0,0,1|0,0,1]=3 382 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,1,0,0,0,1|0,0,1]=3 383 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,1,0,0,0,1|0,0,1]=3 384 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,1,0,0,0,1|0,0,2]=4 385 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,1,0,0,0,1|0,0,2]=4 386 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,1,0,0,0,1|0,0,2]=4 387 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,1,0,0,0,1|0,0,2]=4 388 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,1,0,0,0,1|0,0,2]=4 389 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,1,0,0,0,1|0,0,2]=4 390 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,1,0,0,0,1|0,0,2]=4 391 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,1,0,0,0,1|0,0,2]=4 392 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,1,0,0,0,1|0,0,2]=4 393 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,1,0,0,0,1|0,0,2]=4 394 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,1,0,0,0,1|0,0,2]=4 395 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,1,0,0,0,1|0,0,2]=4 396 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,1,0,0,0,1|0,0,2]=4 397 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,1,0,0,0,1|0,0,2]=4 398 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A106799 [0,1,0,0,0,1|0,0,1]=3 399 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A424629 [0,1,0,0,0,1|0,0,1]=3 400 B9R0.53 C(C(CC(=O)O)N)C(=O)O A191855 [0,1,0,0,0,1|0,0,2]=4 401 B9R0.53 C(C(CC(=O)O)N)C(=O)O G404504 [0,1,0,0,0,1|0,0,2]=4 402 B9R0.53 CC(CC(=O)O)CC(=O)O M158378 [0,1,0,0,0,1|0,0,2]=4 403 B9R0.53 CC(CC(=O)O)CC(=O)O M425178 [0,1,0,0,0,1|0,0,2]=4 404 B9R0.53 CN(CC(=O)O)CC(=O)O M129189 [0,1,0,0,0,1|0,0,2]=4 405 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,2,0,0,0,0|1,0,1]=4 406 B9R0.23 CC(=O)NC(=C)C(=O)OC M157974 [0,2,0,0,0,0|2,0,0]=4 407 B9R0.23 COC(=O)C(CC(=O)O)N A116967 [0,2,0,0,0,0|0,0,2]=4 408 B9R0.23 COC(=O)C(CC(=O)O)N D351608 [0,2,0,0,0,0|0,0,2]=4 409 B9R0.23 COC(=O)C(CC(=O)O)N H185839 [0,2,0,0,0,0|0,0,2]=4 410 B9R0.24 COC(=O)/C=C/C(=O)OC D408186 [0,2,0,0,0,0|0,0,0]=2 411 B9R0.24 COC(=O)C#CC(=O)OC D102918 [0,2,0,0,0,0|0,0,2]=4 412 B9R0.24 COC(=O)C=CC(=O)OC D106459 [0,2,0,0,0,0|0,0,0]=2 413 B9R0.24 COC(=O)C=CC(=O)OC D106460 [0,2,0,0,0,0|0,0,0]=2 414 B9R0.24 COC(=O)C=CC(=O)OC D108608 [0,2,0,0,0,0|0,0,0]=2 415 B9R0.24 COC(=O)CCC(=O)OC D103952 [0,2,0,0,0,0|0,0,2]=4 416 B9R0.24 COC(=O)CCC(=O)OC D103953 [0,2,0,0,0,0|0,0,2]=4 417 B9R0.42 COC(=O)CC(=C)C(=O)O M158383 [0,2,0,0,0,0|0,0,1]=3 418 B9R0.42 COC(=O)CC(=C)C(=O)O M298585 [0,2,0,0,0,0|0,0,1]=3 419 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,2,0,0,0,0|0,0,2]=4 420 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,2,0,0,0,0|0,0,2]=4 421 B9R0.48 CCOC(=O)C=CC(=O)Cl E131474 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.48 CCOC(=O)C=CC(=O)O M157991 [0,2,0,0,0,0|0,0,0]=2 423 B9R0.48 CCOC(=O)C=CC(=O)O Z135126 [0,2,0,0,0,0|0,0,0]=2 424 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,2,0,0,0,0|0,0,2]=4 425 B9R0.11 CC(C)(CC(=O)O)C(=O)O D107306 [0,2,0,0,0,0|0,0,2]=4 426 B9R0.39 CNC(CC(=O)O)C(=O)O N129532 [0,2,0,0,0,0|0,0,2]=4 427 B9R0.39 CNC(CC(=O)O)C(=O)O N131805 [0,2,0,0,0,0|0,0,2]=4 428 B9R0.39 CNC(CC(=O)O)C(=O)O N276566 [0,2,0,0,0,0|0,0,2]=4 429 B9R0.39 CNC(CC(=O)O)C(=O)O N338153 [0,2,0,0,0,0|0,0,2]=4 430 B9R0.39 CNC(CC(O)=O)C(O)=O N407747 [0,2,0,0,0,0|0,0,2]=4 431 B9R0.57 C=C(C(=O)O)OP(=O)(O)O P130026 [0,2,0,0,0,0|2,0,0]=4 432 B9R0.57 C=C(C(=O)O)OP(=O)(O)O P353301 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.57 C=C(C(=O)O)OP(=O)(O)[O-] P119478 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.57 C=C(C(=O)O)OP(=O)(O)[O-] P464368 [0,2,0,0,0,0|2,0,0]=4 435 B9R0.79 C(=C(C(=O)O)O)(C(=O)O)O D300533 [0,2,0,0,0,0|0,0,0]=2 436 B9R0.79 C(=C(C(=O)O)O)(C(=O)O)O D422432 [0,2,0,0,0,0|0,0,0]=2 437 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D106725 [0,2,0,0,0,0|0,0,2]=4 438 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D170796 [0,2,0,0,0,0|0,0,2]=4 439 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N H157320 [0,2,0,0,0,0|0,0,2]=4 440 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D115662 [0,2,0,0,0,0|0,0,2]=4 441 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D134225 [0,2,0,0,0,0|0,0,2]=4 442 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421263 [0,2,0,0,0,0|0,0,2]=4 443 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421725 [0,2,0,0,0,0|0,0,2]=4 444 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O L426628 [0,2,0,0,0,0|0,0,2]=4 445 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O M158070 [0,2,0,0,0,0|0,0,2]=4 446 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O S115663 [0,2,0,0,0,0|0,0,2]=4 447 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T104048 [0,2,0,0,0,0|0,0,2]=4 448 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107139 [0,2,0,0,0,0|0,0,2]=4 449 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107140 [0,2,0,0,0,0|0,0,2]=4 450 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112459 [0,2,0,0,0,0|0,0,2]=4 451 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112460 [0,2,0,0,0,0|0,0,2]=4 452 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112462 [0,2,0,0,0,0|0,0,2]=4 453 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T128785 [0,2,0,0,0,0|0,0,2]=4 454 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291742 [0,2,0,0,0,0|0,0,2]=4 455 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291743 [0,2,0,0,0,0|0,0,2]=4 456 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291770 [0,2,0,0,0,0|0,0,2]=4 457 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D107254 [0,2,0,0,0,0|0,0,2]=4 458 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D303164 [0,2,0,0,0,0|0,0,2]=4 459 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S M423151 [0,2,0,0,0,0|0,0,2]=4 460 B9R0.79 CC(C(C(=O)O)N)C(=O)O D137663 [0,2,0,0,0,0|0,0,2]=4 461 B9R0.79 CC(C(C)C(=O)O)C(=O)O D167070 [0,2,0,0,0,0|0,0,2]=4 462 B9R0.79 CC(C(C)C(=O)O)C(=O)O M344284 [0,2,0,0,0,0|0,0,2]=4 463 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [1,0,0,1,0,0|2,0,0]=4 464 B7R1.2 C1=CC(=O)NC1=O M100788 [1,0,0,1,0,0|1,0,0]=3 465 B7R1.2 C1=CC(=O)NC1=O M424627 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.2 C1=CC(=O)OC1=O M116389 [1,0,0,1,0,0|0,0,0]=2 467 B7R1.2 C1=CC(=O)OC1=O M332470 [1,0,0,1,0,0|0,0,0]=2 468 B7R1.2 C1=CC(=O)OC1=O P134891 [1,0,0,1,0,0|0,0,0]=2 469 B7R1.2 C1=CC(=O)OC1=O P303284 [1,0,0,1,0,0|0,0,0]=2 470 B7R1.2 C1=CC(=O)OC1=O P304899 [1,0,0,1,0,0|0,0,0]=2 471 B7R1.2 C1=CC(=O)OC1=O P434514 [1,0,0,1,0,0|0,0,0]=2 472 B7R1.2 C1=CC(=O)OC1=O P434525 [1,0,0,1,0,0|0,0,0]=2 473 B7R1.2 C1=CC(=O)OC1=O P434526 [1,0,0,1,0,0|0,0,0]=2 474 B7R1.2 C1=CC(=O)OC1=O P493757 [1,0,0,1,0,0|0,0,0]=2 475 B7R1.2 C1=CC(=O)OC1O H302820 [1,0,0,1,0,0|0,0,1]=3 476 B7R1.2 C1C(=O)C=CC1=O C356087 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.2 C1C(=O)OC(=O)N1 O132967 [1,0,0,1,0,0|1,0,1]=4 478 B7R1.2 C1C(C=CC1=O)O H492879 [1,0,0,1,0,0|1,0,1]=4 479 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,1,0,0|0,0,2]=4 481 B7R1.2 CC1=CC=C(O1)C D113405 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.3 C1=CC(=CN=C1)O H106342 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.3 C1=CC(=CN=C1)O H434905 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.3 C1=CC(=O)NC=C1 H108693 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.3 C1=CC(=O)NC=C1 H421556 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.3 C1=CC(=O)NN=C1 P119352 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.3 C1=CC(=O)OC=C1 A136345 [1,0,0,1,0,0|1,0,0]=3 490 B7R1.3 C1=CC=C(C=C1)O P100761 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.3 C1=CC=C(C=C1)O P100762 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.3 C1=CC=C(C=C1)O P100765 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.3 C1=CC=C(C=C1)O P100767 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.3 C1=CC=C(C=C1)O P100769 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.3 C1=CC=C(C=C1)O P100770 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.3 C1=CC=C(C=C1)O P121281 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.3 C1=CC=C(C=C1)O P128316 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.3 C1=CC=C(C=C1)O P397150 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.3 C1=CC=C(C=C1)O P472012 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.3 C1COC(=O)C=C1 D155403 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.3 Oc1ccccc1 BWY272999 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.3 Oc1ccccc1 BWY273026 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.3 Oc1ccccc1 P100768 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.3 Oc1ccccc1 P117348 [1,0,0,1,0,0|2,0,0]=4 505 B9R1.35 C1=C(N=C(S1)Br)C(=O)O B152754 [0,0,0,1,0,1|2,0,0]=4 506 B9R1.35 C1=C(N=C(S1)C(=O)O)Br B178029 [0,0,0,1,0,1|2,0,0]=4 507 B9R1.35 C1=C(N=C(S1)Cl)C(=O)O C133468 [0,0,0,1,0,1|2,0,0]=4 508 B9R1.35 C1=C(N=C(S1)N)C(=O)O A184340 [0,0,0,1,0,1|2,0,0]=4 509 B9R1.35 C1=C(NC(=O)N1)C(=O)O D138792 [0,0,0,1,0,1|1,0,0]=3 510 B9R1.35 C1=C(NC=C1Br)C(=O)O W134576 [0,0,0,1,0,1|2,0,0]=4 511 B9R1.35 C1=C(OC(=C1)Br)C(=O)O B139036 [0,0,0,1,0,1|1,0,0]=3 512 B9R1.35 C1=C(OC(=C1)Cl)C(=O)O C480705 [0,0,0,1,0,1|1,0,0]=3 513 B9R1.35 C1=C(OC=C1Br)C(=O)O B588799 [0,0,0,1,0,1|2,0,0]=4 514 B9R1.35 C1=C(SC(=C1)Br)C(=O)O B123511 [0,0,0,1,0,1|1,1,0]=4 515 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O C101862 [0,0,0,1,0,1|1,1,0]=4 516 B9R1.35 C1=C(SC(=N1)Br)C(=O)O B119304 [0,0,0,1,0,1|1,1,0]=4 517 B9R1.35 C1=C(SC(=N1)Cl)C(=O)O C586129 [0,0,0,1,0,1|1,1,0]=4 518 B9R1.35 C1=C(SC(=N1)N)C(=O)O A184341 [0,0,0,1,0,1|1,1,0]=4 519 B9R1.35 C1=C(SC=C1Br)C(=O)O B153190 [0,0,0,1,0,1|2,0,0]=4 520 B9R1.35 C1=C(SC=C1C(=O)O)Br B123350 [0,0,0,1,0,1|2,0,0]=4 521 B9R1.35 C1=C(SC=C1C(=O)O)Cl C176258 [0,0,0,1,0,1|2,0,0]=4 522 B9R1.35 C1=C(SC=C1Cl)C(=O)O C185466 [0,0,0,1,0,1|2,0,0]=4 523 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [0,0,0,1,0,1|1,0,1]=4 524 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,1,0,1|0,0,2]=4 525 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,1,0,1|0,0,2]=4 526 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,1,0,1|0,0,2]=4 527 B9R1.35 CC1=CC(=CS1)C(=O)O M168225 [0,0,0,1,0,1|2,0,0]=4 528 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [0,0,0,1,0,1|2,0,0]=4 529 B9R1.35 CC1=CC=C(S1)C(=O)O M157939 [0,0,0,1,0,1|1,1,0]=4 530 B9R1.35 CC1=CN=C(S1)C(=O)O M304139 [0,0,0,1,0,1|1,1,0]=4 531 B9R1.35 CC1=CSC(=C1)C(=O)O M167262 [0,0,0,1,0,1|2,0,0]=4 532 B9R1.35 CC1=NC(=CO1)C(=O)O M168812 [0,0,0,1,0,1|2,0,0]=4 533 B9R1.35 CC1=NC(=CS1)C(=O)O M158475 [0,0,0,1,0,1|2,0,0]=4 534 B9R1.35 CC1=NC=C(S1)C(=O)O M136312 [0,0,0,1,0,1|1,1,0]=4 535 B9R1.161 C1(C(O1)C(=O)O)C(=O)O C153802 [0,0,0,1,0,1|0,0,2]=4 536 B9R1.161 C1(C(O1)C(=O)O)C(=O)O P160610 [0,0,0,1,0,1|0,0,2]=4 537 B9R1.161 C1C(C1C(=O)O)C(=O)O C332473 [0,0,0,1,0,1|0,0,2]=4 538 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.1 C1=CC(=CC=C1CO)O H107912 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.1 COC1=CC=C(C=C1)O M104222 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.1 COC1=CC=C(O)C=C1 M408201 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.1 COC1=NC=C(C=C1)O H184927 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.69 C1=C(C(=O)NNC1=O)Br B191130 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.69 C1=CC(=C(C=C1O)Br)O B153212 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.69 C1=CC(=C(C=C1O)Cl)O C133523 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.69 C1=CC(=C(C=C1O)O)Br B133544 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.69 C1=CC(=C(C=C1O)O)Cl C128535 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.69 C1=CC(=C(C=C1O)O)F F131375 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.69 C1=CC(=C(C=C1O)O)O B107437 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.69 C1=CC(=O)C(=CC1=O)Cl C112976 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.69 CC1=C(C=CC(=C1)O)O M109541 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.69 CC1=CC(=O)NNC1=O M157844 [0,1,0,1,0,0|2,0,0]=4 559 B5R0.5 C(=O)(C(=O)Br)Br O167477 [0,0,0,0,2,0|2,0,0]=4 560 B5R0.5 C(=O)(C(=O)Cl)Cl O104558 [0,0,0,0,2,0|2,0,0]=4 561 B5R0.5 C(=O)(C(=O)Cl)Cl O434200 [0,0,0,0,2,0|2,0,0]=4 562 B5R0.5 C(=O)(C(=O)N)N O113868 [0,0,0,0,2,0|2,0,0]=4 563 B5R0.5 C(=O)(C(=O)O)N O138881 [0,0,0,0,2,0|1,0,0]=3 564 B5R0.5 C(=O)(C(=O)O)O B301311 [0,0,0,0,2,0|0,0,0]=2 565 B5R0.5 C(=O)(C(=O)O)O C111747 [0,0,0,0,2,0|0,0,0]=2 566 B5R0.5 C(=O)(C(=O)O)O C111748 [0,0,0,0,2,0|0,0,0]=2 567 B5R0.5 C(=O)(C(=O)O)O C118872 [0,0,0,0,2,0|0,0,0]=2 568 B5R0.5 C(=O)(C(=O)O)O E194461 [0,0,0,0,2,0|0,0,0]=2 569 B5R0.5 C(=O)(C(=O)O)O E332175 [0,0,0,0,2,0|0,0,0]=2 570 B5R0.5 C(=O)(C(=O)O)O M304253 [0,0,0,0,2,0|0,0,0]=2 571 B5R0.5 C(=O)(C(=O)O)O O107179 [0,0,0,0,2,0|0,0,0]=2 572 B5R0.5 C(=O)(C(=O)O)O O107180 [0,0,0,0,2,0|0,0,0]=2 573 B5R0.5 C(=O)(C(=O)O)O O107181 [0,0,0,0,2,0|0,0,0]=2 574 B5R0.5 C(=O)(C(=O)O)O O107182 [0,0,0,0,2,0|0,0,0]=2 575 B5R0.5 C(=O)(C(=O)O)O O111910 [0,0,0,0,2,0|0,0,0]=2 576 B5R0.5 C(=O)(C(=O)O)O O111912 [0,0,0,0,2,0|0,0,0]=2 577 B5R0.5 C(=O)(C(=O)O)O O111916 [0,0,0,0,2,0|0,0,0]=2 578 B5R0.5 C(=O)(C(=O)O)O O111917 [0,0,0,0,2,0|0,0,0]=2 579 B5R0.5 C(=O)(C(=O)O)O O111918 [0,0,0,0,2,0|0,0,0]=2 580 B5R0.5 C(=O)(C(=O)O)O O291733 [0,0,0,0,2,0|0,0,0]=2 581 B5R0.5 C(=O)(C(=O)O)O O291734 [0,0,0,0,2,0|0,0,0]=2 582 B5R0.5 C(=O)(C(=O)O)O O291735 [0,0,0,0,2,0|0,0,0]=2 583 B5R0.5 C(=O)(C(=O)O)O O291762 [0,0,0,0,2,0|0,0,0]=2 584 B5R0.5 C(=O)(C(=O)O)O O301562 [0,0,0,0,2,0|0,0,0]=2 585 B5R0.5 C(=O)(C(=O)O)O O421641 [0,0,0,0,2,0|0,0,0]=2 586 B5R0.5 C(=O)(C(=O)O)O O432116 [0,0,0,0,2,0|0,0,0]=2 587 B5R0.5 C(=O)(C(=O)O)O O433119 [0,0,0,0,2,0|0,0,0]=2 588 B5R0.5 C(=O)(C(=O)O)O O433120 [0,0,0,0,2,0|0,0,0]=2 589 B5R0.5 C(=O)(C(=O)O)O O639870 [0,0,0,0,2,0|0,0,0]=2 590 B5R0.5 C(=O)(C(=O)O)O P639574 [0,0,0,0,2,0|0,0,0]=2 591 B5R0.5 C(=O)(C(=O)O)O V302994 [0,0,0,0,2,0|0,0,0]=2 592 B5R0.5 C(=O)(C(=O)[O-])N O159953 [0,0,0,0,2,0|1,0,1]=4 593 B5R0.5 C(=O)(C(=O)[O-])N S123221 [0,0,0,0,2,0|1,0,1]=4 594 B5R0.5 C(=O)(C(=O)[O-])O P112431 [0,0,0,0,2,0|0,0,1]=3 595 B5R0.5 C(=O)(C(=O)[O-])O P112432 [0,0,0,0,2,0|0,0,1]=3 596 B5R0.5 C(=O)(C(=O)[O-])[O-] A107177 [0,0,0,0,2,0|0,0,2]=4 597 B5R0.5 C(=O)(C(=O)[O-])[O-] A111621 [0,0,0,0,2,0|0,0,2]=4 598 B5R0.5 C(=O)(C(=O)[O-])[O-] A111623 [0,0,0,0,2,0|0,0,2]=4 599 B5R0.5 C(=O)(C(=O)[O-])[O-] A111624 [0,0,0,0,2,0|0,0,2]=4 600 B5R0.5 C(=O)(C(=O)[O-])[O-] A111625 [0,0,0,0,2,0|0,0,2]=4 601 B5R0.5 C(=O)(C(=O)[O-])[O-] A111626 [0,0,0,0,2,0|0,0,2]=4 602 B5R0.5 C(=O)(C(=O)[O-])[O-] A189700 [0,0,0,0,2,0|0,0,2]=4 603 B5R0.5 C(=O)(C(=O)[O-])[O-] C104249 [0,0,0,0,2,0|0,0,2]=4 604 B5R0.5 C(=O)(C(=O)[O-])[O-] C104338 [0,0,0,0,2,0|0,0,2]=4 605 B5R0.5 C(=O)(C(=O)[O-])[O-] C304075 [0,0,0,0,2,0|0,0,2]=4 606 B5R0.5 C(=O)(C(=O)[O-])[O-] D332176 [0,0,0,0,2,0|0,0,2]=4 607 B5R0.5 C(=O)(C(=O)[O-])[O-] E283493 [0,0,0,0,2,0|0,0,2]=4 608 B5R0.5 C(=O)(C(=O)[O-])[O-] G335314 [0,0,0,0,2,0|0,0,2]=4 609 B5R0.5 C(=O)(C(=O)[O-])[O-] I104328 [0,0,0,0,2,0|0,0,2]=4 610 B5R0.5 C(=O)(C(=O)[O-])[O-] I104329 [0,0,0,0,2,0|0,0,2]=4 611 B5R0.5 C(=O)(C(=O)[O-])[O-] I196235 [0,0,0,0,2,0|0,0,2]=4 612 B5R0.5 C(=O)(C(=O)[O-])[O-] I283342 [0,0,0,0,2,0|0,0,2]=4 613 B5R0.5 C(=O)(C(=O)[O-])[O-] L193903 [0,0,0,0,2,0|0,0,2]=4 614 B5R0.5 C(=O)(C(=O)[O-])[O-] L345282 [0,0,0,0,2,0|0,0,2]=4 615 B5R0.5 C(=O)(C(=O)[O-])[O-] L401056 [0,0,0,0,2,0|0,0,2]=4 616 B5R0.5 C(=O)(C(=O)[O-])[O-] M304150 [0,0,0,0,2,0|0,0,2]=4 617 B5R0.5 C(=O)(C(=O)[O-])[O-] N189075 [0,0,0,0,2,0|0,0,2]=4 618 B5R0.5 C(=O)(C(=O)[O-])[O-] N190420 [0,0,0,0,2,0|0,0,2]=4 619 B5R0.5 C(=O)(C(=O)[O-])[O-] N418669 [0,0,0,0,2,0|0,0,2]=4 620 B5R0.5 C(=O)(C(=O)[O-])[O-] P100094 [0,0,0,0,2,0|0,0,2]=4 621 B5R0.5 C(=O)(C(=O)[O-])[O-] P100095 [0,0,0,0,2,0|0,0,2]=4 622 B5R0.5 C(=O)(C(=O)[O-])[O-] P111570 [0,0,0,0,2,0|0,0,2]=4 623 B5R0.5 C(=O)(C(=O)[O-])[O-] P111574 [0,0,0,0,2,0|0,0,2]=4 624 B5R0.5 C(=O)(C(=O)[O-])[O-] P111576 [0,0,0,0,2,0|0,0,2]=4 625 B5R0.5 C(=O)(C(=O)[O-])[O-] P299230 [0,0,0,0,2,0|0,0,2]=4 626 B5R0.5 C(=O)(C(=O)[O-])[O-] S112348 [0,0,0,0,2,0|0,0,2]=4 627 B5R0.5 C(=O)(C(=O)[O-])[O-] S112353 [0,0,0,0,2,0|0,0,2]=4 628 B5R0.5 C(=O)(C(=O)[O-])[O-] S112355 [0,0,0,0,2,0|0,0,2]=4 629 B5R0.5 C(=O)(C(=O)[O-])[O-] S112356 [0,0,0,0,2,0|0,0,2]=4 630 B5R0.5 C(=O)(C(=O)[O-])[O-] S112992 [0,0,0,0,2,0|0,0,2]=4 631 B5R0.5 C(=O)(C(=O)[O-])[O-] S117539 [0,0,0,0,2,0|0,0,2]=4 632 B5R0.5 C(=O)(C(=O)[O-])[O-] S299314 [0,0,0,0,2,0|0,0,2]=4 633 B5R0.5 C(=O)(C(=O)[O-])[O-] S304156 [0,0,0,0,2,0|0,0,2]=4 634 B5R0.5 C(=O)(C(=O)[O-])[O-] T100112 [0,0,0,0,2,0|0,0,2]=4 635 B5R0.5 C(=O)(C(=O)[O-])[O-] Y283407 [0,0,0,0,2,0|0,0,2]=4 636 B5R0.5 C(=O)(C(=O)[O-])[O-] Z303988 [0,0,0,0,2,0|0,0,2]=4 637 B5R0.5 C=C(C(=O)O)F F193388 [0,0,0,0,2,0|2,0,0]=4 638 B5R0.5 CC(=C)C(=O)O M102640 [0,0,0,0,2,0|2,0,0]=4 639 B5R0.5 CC(=C)C(=O)O M102641 [0,0,0,0,2,0|2,0,0]=4 640 B5R0.5 CC(=C)C(=O)O M102642 [0,0,0,0,2,0|2,0,0]=4 641 B5R0.5 CC(=C)C(=O)O M434201 [0,0,0,0,2,0|2,0,0]=4 642 B5R0.5 CC(=C)C(O)=O P477951 [0,0,0,0,2,0|2,0,0]=4 643 B5R0.5 CC(=O)C(=O)C B104601 [0,0,0,0,2,0|2,0,0]=4 644 B5R0.5 CC(=O)C(=O)C B104602 [0,0,0,0,2,0|2,0,0]=4 645 B5R0.5 CC(=O)C(=O)C B104603 [0,0,0,0,2,0|2,0,0]=4 646 B5R0.5 CC(=O)C(=O)C B432715 [0,0,0,0,2,0|2,0,0]=4 647 B5R0.5 CC(=O)C(=O)O P104136 [0,0,0,0,2,0|1,0,0]=3 648 B5R0.5 CC(=O)C(=O)O P104138 [0,0,0,0,2,0|1,0,0]=3 649 B5R0.5 CC(=O)C(=O)O P421121 [0,0,0,0,2,0|1,0,0]=3 650 B5R0.5 CC(=O)C(=O)[O-] C135949 [0,0,0,0,2,0|1,0,1]=4 651 B5R0.5 CC(=O)C(=O)[O-] L157766 [0,0,0,0,2,0|1,0,1]=4 652 B5R0.5 CC(=O)C(=O)[O-] P332759 [0,0,0,0,2,0|1,0,1]=4 653 B5R0.5 CC(=O)C(=O)[O-] S104174 [0,0,0,0,2,0|1,0,1]=4 654 B5R0.5 CC(=O)C(=O)[O-] S345696 [0,0,0,0,2,0|1,0,1]=4 655 B5R0.5 CC(C(=O)O)O L107595 [0,0,0,0,2,0|1,0,1]=4 656 B5R0.5 CC(C(=O)O)O L107596 [0,0,0,0,2,0|1,0,1]=4 657 B5R0.5 CC(C(=O)O)O L108839 [0,0,0,0,2,0|1,0,1]=4 658 B5R0.5 CC(C(=O)O)O L108841 [0,0,0,0,2,0|1,0,1]=4 659 B5R0.5 CC(C(=O)O)O L122089 [0,0,0,0,2,0|1,0,1]=4 660 B5R0.5 CC(C(=O)O)O L122090 [0,0,0,0,2,0|1,0,1]=4 661 B5R0.5 CC(C(=O)O)O L291729 [0,0,0,0,2,0|1,0,1]=4 662 B5R0.5 CC(C(=O)O)O L291730 [0,0,0,0,2,0|1,0,1]=4 663 B5R0.5 CC(C(=O)O)O L291731 [0,0,0,0,2,0|1,0,1]=4 664 B5R0.5 CC(C(=O)O)O L291732 [0,0,0,0,2,0|1,0,1]=4 665 B5R0.5 CC(C(=O)O)O L425989 [0,0,0,0,2,0|1,0,1]=4 666 B5R0.5 CC(C(=O)O)O P169115 [0,0,0,0,2,0|1,0,1]=4 667 B5R0.5 CC(C(=O)O)O S161106 [0,0,0,0,2,0|1,0,1]=4 668 B9R0.55 C(=CC(=O)O)C=CC(=O)O C420637 [0,0,0,0,0,2|0,0,0]=2 669 B9R0.55 C(=CC(=O)O)C=CC(=O)O I132987 [0,0,0,0,0,2|0,0,0]=2 670 B9R0.55 C(=CC(=O)O)C=CC(=O)O T162087 [0,0,0,0,0,2|0,0,0]=2 671 B9R0.55 C(=CC(=O)O)C=CC(=O)O T333830 [0,0,0,0,0,2|0,0,0]=2 672 B9R0.55 C(=CC(=O)O)C=CC(=O)O T423615 [0,0,0,0,0,2|0,0,0]=2 673 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [0,0,0,0,0,2|0,0,2]=4 674 B9R0.55 C(C=CCC(=O)O)C(=O)O T162070 [0,0,0,0,0,2|0,0,0]=2 675 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,0,0,0,0,2|0,0,2]=4 676 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,0,0,0,0,2|0,0,2]=4 677 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,0,0,0,0,2|0,0,2]=4 678 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,0,0,0,0,2|0,0,2]=4 679 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,0,0,0,0,2|0,0,2]=4 680 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,0,0,0,0,2|0,0,2]=4 681 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,0,0,0,0,2|0,0,2]=4 682 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,0,0,0,0,2|0,0,2]=4 683 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,0,0,0,0,2|0,0,2]=4