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|2,0,2]=4 2 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,0,0,0,0,0|0,0,2]=2 14 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,0,0,0,0,0|0,0,2]=2 17 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,0,0,0,0,0|0,0,2]=2 18 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [0,0,0,0,0,0|0,0,3]=3 19 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] D154295 [0,0,0,0,0,0|0,0,4]=4 20 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] I302832 [0,0,0,0,0,0|0,0,4]=4 21 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] M134639 [0,0,0,0,0,0|0,0,4]=4 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|3,0,0]=3 24 B7R0.6 C(C(=O)O)NC(=O)N H157226 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.6 C(C(=O)O)SC(=N)N S303941 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.6 C(CC(=O)N)C(=O)N S161127 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.6 C(CC(=O)O)C(=O)O P111885 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.6 C(CC(=O)O)C(=O)O S108852 [0,0,0,0,0,0|0,0,0]=0 30 B7R0.6 C(CC(=O)O)C(=O)O S108853 [0,0,0,0,0,0|0,0,0]=0 31 B7R0.6 C(CC(=O)O)C(=O)O S108854 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.6 C(CC(=O)O)C(=O)O S108855 [0,0,0,0,0,0|0,0,0]=0 33 B7R0.6 C(CC(=O)O)C(=O)O S108856 [0,0,0,0,0,0|0,0,0]=0 34 B7R0.6 C(CC(=O)O)C(=O)O S303059 [0,0,0,0,0,0|0,0,0]=0 35 B7R0.6 C(CC(=O)O)C(=O)O S346179 [0,0,0,0,0,0|0,0,0]=0 36 B7R0.6 C(CC(=O)O)C(=O)O S420589 [0,0,0,0,0,0|0,0,0]=0 37 B7R0.6 C(CC(=O)O)C(=O)O S431423 [0,0,0,0,0,0|0,0,0]=0 38 B7R0.6 C(CC(=O)O)C(=O)O S431424 [0,0,0,0,0,0|0,0,0]=0 39 B7R0.6 C(CC(=O)O)C(=O)O S472090 [0,0,0,0,0,0|0,0,0]=0 40 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [0,0,0,0,0,0|0,0,1]=1 41 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [0,0,0,0,0,0|0,0,2]=2 42 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [0,0,0,0,0,0|0,0,2]=2 43 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [0,0,0,0,0,0|0,0,2]=2 44 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [0,0,0,0,0,0|0,0,2]=2 45 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [0,0,0,0,0,0|0,0,2]=2 46 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [0,0,0,0,0,0|0,0,2]=2 47 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [0,0,0,0,0,0|0,0,2]=2 48 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [0,0,0,0,0,0|1,0,1]=2 49 B7R0.6 CC(=C)CCC(=C)C D155280 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.6 CC(=C)COC(=O)C M158238 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,0,0|1,0,0]=1 55 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,0,0|1,0,0]=1 56 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,0,0|1,0,0]=1 57 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,0,0|1,0,0]=1 58 B7R0.6 CC(=O)COC(=O)C A151657 [0,0,0,0,0,0|3,0,0]=3 59 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.6 CC(=S)NCC(=O)O N159832 [0,0,0,0,0,0|2,1,0]=3 64 B7R0.6 CC(C)CCC(=O)C M106666 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.6 CC(C)CCC(=O)O M117869 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.6 CC(CCC(C)O)O H157400 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.6 CC(CCC(C)O)O R160953 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.6 CC(CCC(C)O)O S133391 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.6 CN(C)CCC(=O)O D132248 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,0,0,0,0,0|3,0,0]=3 72 B6R0.4 C#CCCC(=O)O P133515 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 C(C(=O)O)N=[N+]=[N-] A168121 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 C(C(=O)O)NC=O N159822 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.4 C(C=CC(=O)O)O T341890 [1,0,0,0,0,0|0,0,3]=4 76 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 C(CC(=O)N)CCl C168978 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 C(CC(=O)O)C#N C191241 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.4 C(CC(=O)O)CBr B106907 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.4 C(CC(=O)O)CCl C134513 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.4 C(CC(=O)O)CN A104200 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.4 C(CC(=O)O)CN A293557 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.4 C(CC(=O)O)CN A424756 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.4 C(CC(=O)O)CN A468499 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.4 C(CC(=O)O)CN A472038 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.4 C(CC(=O)O)CN G276591 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.4 C(CN)C[P+](=O)O A275461 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.4 C(CO)NC(=O)N H136122 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.4 C(C[N+](=O)[O-])CO N164462 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.4 C=CCCC(=O)Cl P278805 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.4 C=CCCC(=O)O P160582 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 C=CCNC(=O)N A151231 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.4 C=CCOC(=O)N A467193 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 CC(=O)CCC=C H113634 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.4 CC(=O)CCCBr B345087 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 CC(=O)CCCCl C108070 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 CC(=O)CCSC M135087 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 CC(=O)NCCO A112970 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 CC(=O)NCCO A112971 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 CC(=O)OCC=C A107305 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 CC(=O)OCCO H156959 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.4 CC(C)CCC=O M586390 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.4 CC(CCCO)O P171240 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.4 CC=CCC(=O)O P165142 [1,0,0,0,0,0|1,0,1]=3 106 B6R0.4 CCCCC(=O)Br V162931 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 CCCCC(=O)C H105743 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.4 CCCCC(=O)C H105744 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.4 CCCCC(=O)C H111491 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.4 CCCCC(=O)C H141140 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.4 CCCCC(=O)Cl V107241 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.4 CCCCC(=O)N V162967 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.4 CCCCC(=O)O V108269 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.4 CCCCC(=O)O V108270 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.4 CCCCC(=O)O V108271 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.4 CCCCC(=O)O V108272 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.4 CCCCC(=O)O V302252 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.4 CCCCC(=O)[O-] S194180 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.4 CCCC[Sn](=O)O M107696 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CCNCC(=O)O N159193 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.4 CCOCC(=O)O E156174 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.4 CCSCC(=O)O E300419 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.4 CNCCC(=O)O M183299 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.4 COCCC(=O)O M169065 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.4 CSCCC(=O)Cl M158416 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.4 CSCCC(=O)O M158072 [1,0,0,0,0,0|2,0,0]=3 127 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [0,1,0,0,0,0|2,0,0]=3 129 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.9 C=CC(=O)NCC(=O)N N588400 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.9 C=CC(=O)NCC(=O)O A352738 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.9 C=CC(CCC(=O)O)N V136673 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.9 CC(=O)C=CC(=O)OC M157976 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.9 CC(=O)C=CC(=O)OC M464501 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.9 CC(=O)OCC(=O)CCl A135505 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.9 CC(C)CCC(=O)OC M464241 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.9 CCC(=CCC(=O)O)C M193916 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.9 CCC(C)CCC(=O)O M138303 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.9 CN(C)CCC(=O)OC M170066 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.9 CNC(=O)C=CC(=O)O N159546 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.9 COC(=O)C=CC(=O)O M158075 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.9 COC(=O)C=CC(=O)O M158861 [0,1,0,0,0,0|0,0,2]=3 151 B8R0.9 COC(=O)C=CC(=O)O M422970 [0,1,0,0,0,0|0,0,2]=3 152 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.9 COC(=O)CCC(=O)N M158316 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.9 COC(=O)CCC(=O)O M102991 [0,1,0,0,0,0|0,0,0]=1 155 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.23 C(C(=O)C(=O)O)C(=O)O O107187 [0,1,0,0,0,0|0,0,1]=2 158 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [0,1,0,0,0,0|0,0,0]=1 160 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,1,0,0,0,0|1,0,0]=2 167 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,1,0,0,0,0|1,0,0]=2 168 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,1,0,0,0,0|1,0,0]=2 170 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,1,0,0,0,0|0,0,0]=1 171 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,1,0,0,0,0|0,0,0]=1 172 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,1,0,0,0,0|0,0,0]=1 173 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,1,0,0,0,0|0,0,0]=1 174 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,1,0,0,0,0|0,0,0]=1 175 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,1,0,0,0,0|0,0,0]=1 176 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,1,0,0,0,0|0,0,0]=1 177 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,1,0,0,0,0|0,0,0]=1 179 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,1,0,0,0,0|0,0,0]=1 180 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,1,0,0,0,0|0,0,0]=1 181 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,1,0,0,0,0|0,0,0]=1 183 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,1,0,0,0,0|0,0,0]=1 184 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,1,0,0,0,0|0,0,0]=1 185 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,1,0,0,0,0|0,0,0]=1 186 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,1,0,0,0,0|0,0,1]=2 187 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [0,1,0,0,0,0|0,0,0]=1 189 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [0,1,0,0,0,0|0,0,0]=1 190 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [0,1,0,0,0,0|0,0,0]=1 191 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [0,1,0,0,0,0|0,0,0]=1 192 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [0,1,0,0,0,0|0,0,0]=1 193 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [0,1,0,0,0,0|0,0,0]=1 194 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [0,1,0,0,0,0|0,0,0]=1 195 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [0,1,0,0,0,0|0,0,0]=1 196 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [0,1,0,0,0,0|0,0,0]=1 197 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [0,1,0,0,0,0|0,0,0]=1 198 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,1,0,0,0,0|0,0,1]=2 199 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,1,0,0,0,0|0,0,1]=2 200 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,1,0,0,0,0|0,0,1]=2 201 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,1,0,0,0,0|0,0,1]=2 202 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,1,0,0,0,0|0,0,1]=2 203 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] D351328 [0,1,0,0,0,0|0,0,2]=3 204 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] S193941 [0,1,0,0,0,0|0,0,2]=3 205 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] C305183 [0,1,0,0,0,0|0,0,2]=3 206 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D154290 [0,1,0,0,0,0|0,0,2]=3 207 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D302750 [0,1,0,0,0,0|0,0,2]=3 208 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] L332299 [0,1,0,0,0,0|0,0,2]=3 209 B8R0.23 C=C(CC(=O)O)C(=O)O I106139 [0,1,0,0,0,0|0,0,1]=2 210 B8R0.23 C=C(CC(=O)O)C(=O)O I106140 [0,1,0,0,0,0|0,0,1]=2 211 B8R0.23 CC(=CC(=O)O)C(=O)O C153469 [0,1,0,0,0,0|0,0,2]=3 212 B8R0.23 CC(=CC(=O)O)C(=O)O C424293 [0,1,0,0,0,0|0,0,2]=3 213 B8R0.23 CC(=CC(=O)O)C(=O)O M158069 [0,1,0,0,0,0|0,0,2]=3 214 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,1,0,0,0,0|0,0,0]=1 245 B8R0.23 CN(CC(=O)O)C(=N)N C105702 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.23 CN(CC(=O)O)C(=N)N C105933 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.23 CN(CC(=O)O)C(=N)N C424813 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.23 CN(CC(=O)O)C(=N)N C425001 [0,1,0,0,0,0|3,0,0]=4 249 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [0,1,0,0,0,0|2,0,0]=3 250 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.29 C(CC(F)(F)F)C(=O)O T121978 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.29 C(CP(=O)(O)O)C(=O)O P113856 [0,1,0,0,0,0|1,0,0]=2 253 B8R0.29 CC(CCC(=O)O)(F)F D586779 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.29 CP(=O)(CCC(=O)O)O M133020 [0,1,0,0,0,0|1,0,0]=2 255 B8R0.29 CS(=O)(=O)NCC(=O)O N169871 [0,1,0,0,0,0|2,0,1]=4 256 B8R1.3 C1C(=O)NCC(=O)N1 G156851 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.3 C1CC(=O)CCC1=O C110959 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.3 C1CC(=O)CCC1O H190648 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.3 C1CC(=O)NCC1O H191838 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.23 C1C(CC1=O)C(=O)O O129102 [0,0,0,1,0,0|1,0,0]=2 263 B8R1.23 C=C1CC(C1)C(=O)O M174562 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.23 CN1CC(C1)C(=O)O M177850 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.51 C1CS(=O)(=O)CC1=O T182043 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.77 C1C(C1(F)F)C(=O)O D165818 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.77 CC1(CC1C(=O)O)C D194933 [0,0,0,1,0,0|2,0,1]=4 268 B8R1.77 CC1(CC1C(=O)O)C S161036 [0,0,0,1,0,0|2,0,1]=4 269 B6R0.2 C(=O)(N)NC(=O)N B111665 [0,0,0,0,1,0|3,0,0]=4 270 B6R0.2 C(=O)(N)NC(=O)N B111666 [0,0,0,0,1,0|3,0,0]=4 271 B6R0.2 C(=O)(N)NC(=O)N B196397 [0,0,0,0,1,0|3,0,0]=4 272 B6R0.2 C(C(=N)N)C(=O)N A136566 [0,0,0,0,1,0|3,0,0]=4 273 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,0,0,0,1,0|2,0,0]=3 274 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,0,0,0,1,0|2,0,0]=3 275 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,0,0,0,1,0|1,0,0]=2 276 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,0,0,0,1,0|0,0,0]=1 277 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,0,0,0,1,0|0,0,0]=1 278 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,0,0,0,1,0|0,0,0]=1 279 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,0,0,0,1,0|0,0,0]=1 280 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,0,0,0,1,0|0,0,2]=3 281 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,0,0,0,1,0|0,0,2]=3 282 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,1,0|2,0,1]=4 283 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,1,0|2,0,1]=4 284 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,1,0|2,0,1]=4 285 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,1,0|2,0,1]=4 286 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,1,0|2,0,1]=4 287 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,1,0|2,0,1]=4 288 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,1,0|2,0,1]=4 289 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,1,0|2,0,1]=4 290 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,1,0|2,0,1]=4 291 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,1,0|2,0,1]=4 292 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,1,0|2,0,1]=4 293 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,1,0|2,0,1]=4 294 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,1,0|2,0,1]=4 295 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,1,0|2,0,1]=4 296 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,1,0|2,0,1]=4 297 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,1,0|2,0,1]=4 298 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,1,0|2,0,1]=4 299 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,1,0|2,0,1]=4 300 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,1,0|2,0,1]=4 301 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,1,0|2,0,1]=4 302 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,1,0|2,0,1]=4 303 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,1,0|2,0,1]=4 304 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,1,0|2,0,1]=4 305 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,1,0|2,0,1]=4 306 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,1,0|2,0,1]=4 307 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,1,0|2,0,1]=4 308 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,1,0|2,0,1]=4 309 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,1,0|2,0,1]=4 310 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,1,0|2,0,1]=4 311 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,1,0|2,0,1]=4 312 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,1,0|2,0,1]=4 313 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,1,0|2,0,1]=4 314 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,1,0|2,0,1]=4 315 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,1,0|2,0,1]=4 316 B6R0.2 CC(=O)CC(=O)C A110366 [0,0,0,0,1,0|2,0,0]=3 317 B6R0.2 CC(=O)CC(=O)C A110367 [0,0,0,0,1,0|2,0,0]=3 318 B6R0.2 CC(=O)CC(=O)C A110370 [0,0,0,0,1,0|2,0,0]=3 319 B6R0.2 CC(=O)CC(=O)N A194123 [0,0,0,0,1,0|2,0,0]=3 320 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,0,0,0,1,0|1,0,1]=3 321 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,0,0,0,1,0|1,0,1]=3 322 B6R0.2 CC(=O)NC(=O)N A114125 [0,0,0,0,1,0|3,0,0]=4 323 B6R0.2 CC(=O)OC(=O)C A302240 [0,0,0,0,1,0|3,0,0]=4 324 B6R0.2 CC(=O)OC(=O)C A474130 [0,0,0,0,1,0|3,0,0]=4 325 B6R0.2 CC(=O)SC(=O)C A151355 [0,0,0,0,1,0|3,0,0]=4 326 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,0,0,0,1,0|2,0,1]=4 327 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,0,0,0,1,0|2,0,1]=4 328 B6R0.2 CC(C)CC(=O)O I108280 [0,0,0,0,1,0|2,0,1]=4 329 B6R0.2 CC(C)CC(=O)O I108281 [0,0,0,0,1,0|2,0,1]=4 330 B6R0.2 CC(C)CC(=O)O I424338 [0,0,0,0,1,0|2,0,1]=4 331 B6R0.2 CC(C)CC(=O)O I432771 [0,0,0,0,1,0|2,0,1]=4 332 B6R0.2 CC(CC(=O)O)Br B169132 [0,0,0,0,1,0|2,0,1]=4 333 B6R0.2 CC(CC(=O)O)Cl C153466 [0,0,0,0,1,0|2,0,1]=4 334 B6R0.2 CC(CC(=O)O)N A100948 [0,0,0,0,1,0|2,0,1]=4 335 B6R0.2 CC(CC(=O)O)N H117041 [0,0,0,0,1,0|2,0,1]=4 336 B6R0.2 CC(CC(=O)O)N R184127 [0,0,0,0,1,0|2,0,1]=4 337 B6R0.2 CC(CC(=O)O)N S193074 [0,0,0,0,1,0|2,0,1]=4 338 B6R0.2 CC(CC(=O)O)O P347707 [0,0,0,0,1,0|1,0,1]=3 339 B6R0.2 CC(CC(=O)O)O R304188 [0,0,0,0,1,0|1,0,1]=3 340 B6R0.2 CC(CC(=O)O)O R425172 [0,0,0,0,1,0|1,0,1]=3 341 B6R0.2 CC(CC(=O)O)O S161108 [0,0,0,0,1,0|1,0,1]=3 342 B6R0.2 CC(CC(=O)O)O S194215 [0,0,0,0,1,0|1,0,1]=3 343 B6R0.2 CC(CC(=O)[O-])O B301134 [0,0,0,0,1,0|1,0,2]=4 344 B6R0.2 CC(CC(=O)[O-])O H121822 [0,0,0,0,1,0|1,0,2]=4 345 B6R0.2 CC(CC(=O)[O-])O X131756 [0,0,0,0,1,0|1,0,2]=4 346 B6R0.2 CN(C)CC(=O)O D115675 [0,0,0,0,1,0|3,0,0]=4 347 B6R0.2 CN(C)CC(=O)O N159831 [0,0,0,0,1,0|3,0,0]=4 348 B6R0.2 CN(C)CC(=O)O N420632 [0,0,0,0,1,0|3,0,0]=4 349 B8R0.28 C(C(=O)Cl)OCC(=O)Cl O159911 [0,0,0,0,0,1|2,0,0]=3 350 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [0,0,0,0,0,1|1,0,0]=2 351 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [0,0,0,0,0,1|0,0,0]=1 352 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [0,0,0,0,0,1|0,0,0]=1 353 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [0,0,0,0,0,1|0,0,0]=1 354 B8R0.28 C(C(=O)[O-])NCC(=O)[O-] S168477 [0,0,0,0,0,1|0,0,2]=3 355 B8R0.28 C(CC(=O)Cl)CC(=O)Cl G109391 [0,0,0,0,0,1|2,0,0]=3 356 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [0,0,0,0,0,1|1,0,0]=2 357 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [0,0,0,0,0,1|0,0,0]=1 358 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [0,0,0,0,0,1|0,0,0]=1 359 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [0,0,0,0,0,1|0,0,0]=1 360 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] D154294 [0,0,0,0,0,1|0,0,2]=3 361 B8R0.28 C(CN=C(N)N)C(=O)O D137194 [0,0,0,0,0,1|2,0,0]=3 362 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [0,0,0,0,0,1|1,0,0]=2 363 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [0,0,0,0,0,1|1,0,0]=2 364 B8R0.28 C(CSC(=N)N)C(=O)O I121960 [0,0,0,0,0,1|2,0,0]=3 365 B8R0.28 CC(=CCCC(=O)C)C M117483 [0,0,0,0,0,1|3,0,0]=4 366 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,0,0,0,0,1|1,0,0]=2 367 B8R0.28 CC(=O)NCCC(=O)O N133308 [0,0,0,0,0,1|1,0,0]=2 368 B8R0.28 CC(=O)SCCC(=O)O A136318 [0,0,0,0,0,1|1,0,0]=2 369 B8R0.28 CC(C)CCCC(=O)O M158389 [0,0,0,0,0,1|2,0,1]=4 370 B8R0.28 CN(C)CCCC(=O)O D589906 [0,0,0,0,0,1|3,0,0]=4 371 B8R0.28 CN(C)CCCC(=O)O W133561 [0,0,0,0,0,1|3,0,0]=4 372 B5R0.1 C#CCC(=O)O B168856 [2,0,0,0,0,0|0,0,2]=4 373 B5R0.1 C(C#N)C(=O)O C105698 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.1 C(C(=O)O)ON C109697 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|1,0,0]=3 378 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|1,0,0]=3 384 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|0,0,0]=2 387 B5R0.1 C(CO)[N+](=O)[O-] N110256 [2,0,0,0,0,0|1,0,1]=4 388 B5R0.1 C(CS(=O)O)N H303371 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|0,1,0]=3 390 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|0,1,0]=3 391 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|0,1,0]=3 392 B5R0.1 C=CCC(=O)O B152769 [2,0,0,0,0,0|0,0,1]=3 393 B5R0.1 C=CCC(=O)O B152771 [2,0,0,0,0,0|0,0,1]=3 394 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.1 CC(CCO)O B111016 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.1 CC(CCO)O B111017 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.1 CC(CCO)O B111018 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.1 CC(CCO)O B119672 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.1 CC(CCO)O R160960 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.1 CC(CCO)O S138551 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.1 CC=CC(=O)O C104149 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.1 CC=CC(=O)O C104150 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|1,0,1]=4 408 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,1]=4 410 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|0,0,1]=3 412 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|0,0,1]=3 413 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|0,0,1]=3 414 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|0,0,1]=3 415 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|0,0,1]=3 416 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|0,0,1]=3 417 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|0,0,2]=4 418 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|0,0,2]=4 419 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|0,0,2]=4 420 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|0,0,2]=4 421 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|1,0,1]=4 425 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.2 C(=O)NNC=O W135234 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.2 C(CCO)CO B110391 [2,0,0,0,0,0|0,0,2]=4 428 B5R0.2 C(CCO)CO B110394 [2,0,0,0,0,0|0,0,2]=4 429 B5R0.2 C(CCO)CO B110395 [2,0,0,0,0,0|0,0,2]=4 430 B5R0.2 C=CCCC=C C118545 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.2 C=CCCC=C H106694 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.2 C=CCCCO P103073 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.2 CCCCC=O V103717 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.2 CSCCC=O M109548 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.2 OCCCCO P487355 [2,0,0,0,0,0|0,0,2]=4 436 B7R0.2 C(C(CN)O)C(=O)O S469570 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.2 C(C(CO)N)C(=O)O H353181 [1,1,0,0,0,0|0,0,1]=3 438 B7R0.2 C(C(CO)N)C(=O)O S191379 [1,1,0,0,0,0|0,0,1]=3 439 B7R0.2 CCC(C)CC(=O)O M109883 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.2 CCC(CC(=O)O)N A191758 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.2 CCC(CC(=O)O)N I167296 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.3 C(CC(=O)NN)CO B301222 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.3 CCCCC(=O)OC M108213 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.3 CCCCC(=O)OC M108214 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.3 COC(=O)C=CC=O M158237 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.3 COC(=O)CCC#N M135512 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.3 COC(=O)CCC#N M293045 [1,1,0,0,0,0|1,0,1]=4 448 B7R0.3 COC(=O)CCC=C M338666 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.3 COC(=O)CCCBr M158832 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.3 COC(=O)CCCBr M492178 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.3 COC(=O)CCCCl C108118 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.3 COC(=O)CCCI M167258 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.3 COC(=O)CCCN M124081 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.3 COC(=O)CCSC M302466 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.3 COC(=O)OCC=C A136273 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.3 COCCC(=O)OC M134953 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.4 C#CCCCC(=O)O H111132 [1,1,0,0,0,0|1,0,1]=4 458 B7R0.4 C(CC#N)CC(=O)O C184246 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.4 C(CCBr)CC(=O)O B106966 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.4 C(CCCl)CC(=O)O C153468 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.4 C(CCN)CC(=O)O A107493 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.4 C(CCN)CC(=O)O A151151 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.4 C(CCN)CC(=O)O A151349 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.4 C(CCN)CC(=O)O A491891 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.4 C(CCN)CC(=O)O A491894 [1,1,0,0,0,0|1,0,1]=4 466 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,1,0,0,0,0|0,0,2]=4 467 B7R0.4 C(CNCC(=O)O)N A124646 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.4 C=CCCCC(=O)O H157078 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.4 CCC=CCC(=O)O H101494 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.4 CCCCCC(=O)O H103630 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.4 CCCCCC(=O)O H103631 [1,1,0,0,0,0|1,0,1]=4 472 B7R0.4 CCCCCC(=O)O H103632 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.4 CCCCCC(=O)O H278778 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.4 CCCCCC(=O)O H432079 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.4 CCOCCC(=O)O E156172 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.4 CNCCCC(=O)O M276212 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.4 CNCCCC(=O)O M397624 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.4 COCCCC(=O)O M192558 [1,1,0,0,0,0|0,0,1]=3 479 B7R0.5 C#CCC(C(=O)O)N D133969 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.5 C#CCC(C(=O)O)N R192202 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.5 C#CCC(C(=O)O)N R304808 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.5 C#CCC(C(=O)O)N S168837 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.5 C(CBr)C(C(=O)O)N A101191 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.5 C(CN)C(C(=O)O)N D102446 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.5 C(CN)C(C(=O)O)N D113499 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.5 C(CN)C(C(=O)O)N D117019 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.5 C(CN)C(C(=O)O)O H181248 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.5 C(CN)C(C(=O)O)O S161042 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.5 C(CO)C(C(=O)O)N H100541 [1,1,0,0,0,0|0,0,1]=3 490 B7R0.5 C(CO)C(C(=O)O)N H101557 [1,1,0,0,0,0|0,0,1]=3 491 B7R0.5 C(CO)C(C(=O)O)N H105430 [1,1,0,0,0,0|0,0,1]=3 492 B7R0.5 C(CO)C(C(=O)O)N L425384 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.5 C(CS)C(C(=O)O)N H106297 [1,1,0,0,0,0|0,1,1]=4 494 B7R0.5 C(CS)C(C(=O)O)N L134501 [1,1,0,0,0,0|0,1,1]=4 495 B7R0.5 C=CCC(C(=O)O)N A115225 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.5 C=CCC(C(=O)O)N D101189 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.5 C=CCC(C(=O)O)N D107871 [1,1,0,0,0,0|1,0,0]=3 498 B7R0.5 C=CCC(C(=O)O)N S101123 [1,1,0,0,0,0|1,0,0]=3 499 B7R0.5 C=CCC(C(=O)O)N S161223 [1,1,0,0,0,0|1,0,0]=3 500 B7R0.5 CC(C(=O)O)NC=O N159048 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.5 CC(CC=C)C(=O)O M111848 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.5 CCCC(C(=O)O)Br B152768 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.5 CCCC(C(=O)O)N N100542 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.5 CCCC(C(=O)O)N N106191 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.5 CCCC(C(=O)O)N N106215 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.5 CCCC(C(=O)O)O S193305 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.5 CCCC(C)C(=O)O B300596 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.5 CCCC(C)C(=O)O M117868 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.5 CCCC(C)C(=O)O M427193 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.5 CNCC(C(=O)O)N S132658 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.5 COCC(C(=O)O)Cl C133763 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.5 COCC(C(=O)O)N S135785 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.5 CSCC(C(=O)O)N M116973 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.5 C[Se]CC(C(=O)O)N S161277 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.8 C(CO)CS(=O)(=O)O H119941 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.9 C(C(=O)O)P(=O)(O)O P344747 [0,1,0,0,1,0|1,0,0]=3 517 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,1,0,0,1,0|1,0,1]=4 518 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [0,1,0,0,1,0|1,0,1]=4 519 B7R0.16 C(C(=O)N)(C(=O)N)N A185601 [0,1,0,0,1,0|2,0,0]=4 520 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,1,0,0,1,0|0,0,0]=2 521 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,1,0,0,1,0|0,0,0]=2 522 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,1,0,0,1,0|2,0,0]=4 523 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,1,0,0,1,0|0,0,0]=2 524 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,1,0,0,1,0|1,0,1]=4 525 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,1,0,0,1,0|1,0,1]=4 526 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,1,0,0,1,0|1,0,1]=4 527 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,1,0,0,1,0|1,0,1]=4 528 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,1,0,0,1,0|1,0,1]=4 529 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,1,0,0,1,0|1,0,1]=4 530 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,1,0,0,1,0|1,0,1]=4 531 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,1,0,0,1,0|1,0,1]=4 532 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,1,0,0,1,0|1,0,1]=4 533 B9R0.1 C=CC(=O)OCCC(=O)O C303186 [0,1,0,0,0,1|1,0,0]=3 534 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,1,0,0,0,1|1,0,0]=3 535 B9R0.1 COC(=O)CCCC(=O)Cl G104122 [0,1,0,0,0,1|1,0,0]=3 536 B9R0.1 COC(=O)CCCC(=O)O M102986 [0,1,0,0,0,1|0,0,0]=2 537 B9R0.1 COC(=O)CCC[N+](=O)[O-] N131960 [0,1,0,0,0,1|1,0,1]=4 538 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,1,0,0,0,1|0,0,1]=3 539 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [0,1,0,0,0,1|1,0,0]=3 540 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [0,1,0,0,0,1|2,0,0]=4 541 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,1,0,0,0,1|1,0,0]=3 542 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,1,0,0,0,1|1,0,0]=3 543 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,1,0,0,0,1|1,0,0]=3 544 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,1,0,0,0,1|1,0,0]=3 545 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,1,0,0,0,1|1,0,0]=3 546 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,1,0,0,0,1|1,0,0]=3 547 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,1,0,0,0,1|1,0,0]=3 548 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,1,0,0,0,1|1,0,0]=3 549 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,1,0,0,0,1|0,0,0]=2 550 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,1,0,0,0,1|0,0,0]=2 551 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,1,0,0,0,1|0,0,0]=2 552 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,1,0,0,0,1|0,0,0]=2 553 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,1,0,0,0,1|0,0,0]=2 554 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,1,0,0,0,1|0,0,0]=2 555 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,1,0,0,0,1|0,0,0]=2 556 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,1,0,0,0,1|0,0,0]=2 557 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,1,0,0,0,1|0,0,0]=2 558 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,1,0,0,0,1|0,0,0]=2 559 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,1,0,0,0,1|0,0,0]=2 560 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,1,0,0,0,1|0,0,0]=2 561 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,1,0,0,0,1|0,0,0]=2 562 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,1,0,0,0,1|0,0,0]=2 563 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,1,0,0,0,1|0,0,0]=2 564 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,1,0,0,0,1|0,0,0]=2 565 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] D154292 [0,1,0,0,0,1|0,0,2]=4 566 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [0,1,0,0,0,1|0,0,1]=3 567 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [0,1,0,0,0,1|0,0,1]=3 568 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [0,1,0,0,0,1|0,0,1]=3 569 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [0,1,0,0,0,1|0,0,1]=3 570 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [0,1,0,0,0,1|0,0,2]=4 571 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O D420421 [0,1,0,0,0,1|0,0,2]=4 572 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S135663 [0,1,0,0,0,1|0,0,2]=4 573 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S137414 [0,1,0,0,0,1|0,0,2]=4 574 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,1,0,0,0,1|1,0,0]=3 575 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,1,0,0,0,1|1,0,0]=3 576 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,1,0,0,0,1|0,0,0]=2 577 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,1,0,0,0,1|2,0,0]=4 578 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,1,0,0,0,1|2,0,0]=4 579 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A106799 [0,1,0,0,0,1|0,0,0]=2 580 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A424629 [0,1,0,0,0,1|0,0,0]=2 581 B9R0.53 C(C(CC(=O)O)N)C(=O)O A191855 [0,1,0,0,0,1|0,0,0]=2 582 B9R0.53 C(C(CC(=O)O)N)C(=O)O G404504 [0,1,0,0,0,1|0,0,0]=2 583 B9R0.53 CC(CC(=O)O)CC(=O)O M158378 [0,1,0,0,0,1|0,0,0]=2 584 B9R0.53 CC(CC(=O)O)CC(=O)O M425178 [0,1,0,0,0,1|0,0,0]=2 585 B9R0.53 CN(CC(=O)O)CC(=O)O M129189 [0,1,0,0,0,1|0,0,0]=2 586 B9R0.53 CN(CC(=O)[O-])CC(=O)[O-] N488186 [0,1,0,0,0,1|0,0,2]=4 587 B9R0.56 C(C(=O)O)NCP(=O)(O)O G340900 [0,1,0,0,0,1|1,0,0]=3 588 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109919 [0,1,0,0,0,1|1,0,0]=3 589 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109922 [0,1,0,0,0,1|1,0,0]=3 590 B9R0.56 C(C(=O)O)NCP(=O)(O)O P123117 [0,1,0,0,0,1|1,0,0]=3 591 B9R0.21 COC(=O)CCS(=O)(=O)Cl M181729 [0,2,0,0,0,0|1,0,1]=4 592 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,2,0,0,0,0|1,0,1]=4 593 B9R0.23 CC(C(=O)OC)NC(=O)C M157975 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.23 CN(CC(=O)O)C(=O)CN G121423 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.23 COC(=O)C(CC(=O)O)N A116967 [0,2,0,0,0,0|0,0,0]=2 596 B9R0.23 COC(=O)C(CC(=O)O)N D351608 [0,2,0,0,0,0|0,0,0]=2 597 B9R0.23 COC(=O)C(CC(=O)O)N H185839 [0,2,0,0,0,0|0,0,0]=2 598 B9R0.24 C(CC(=O)NN)C(=O)NN S161141 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.24 COC(=O)/C=C/C(=O)OC D408186 [0,2,0,0,0,0|0,0,2]=4 600 B9R0.24 COC(=O)C#CC(=O)OC D102918 [0,2,0,0,0,0|0,0,2]=4 601 B9R0.24 COC(=O)C=CC(=O)OC D106459 [0,2,0,0,0,0|0,0,2]=4 602 B9R0.24 COC(=O)C=CC(=O)OC D106460 [0,2,0,0,0,0|0,0,2]=4 603 B9R0.24 COC(=O)C=CC(=O)OC D108608 [0,2,0,0,0,0|0,0,2]=4 604 B9R0.24 COC(=O)CCC(=O)CN M158394 [0,2,0,0,0,0|1,0,0]=3 605 B9R0.24 COC(=O)CCC(=O)CN M426001 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.24 COC(=O)CCC(=O)OC D103952 [0,2,0,0,0,0|0,0,0]=2 607 B9R0.24 COC(=O)CCC(=O)OC D103953 [0,2,0,0,0,0|0,0,0]=2 608 B9R0.42 CC(C(=O)O)NC(=O)CCl N159049 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.42 CC(C(=O)O)NC(=O)CN G355788 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.42 CC(C(=O)O)NC(=O)CN G355807 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.42 CC(C(=O)O)NC(=O)CN G465688 [0,2,0,0,0,0|2,0,0]=4 612 B9R0.42 COC(=O)CC(=C)C(=O)O M158383 [0,2,0,0,0,0|0,0,1]=3 613 B9R0.42 COC(=O)CC(=C)C(=O)O M298585 [0,2,0,0,0,0|0,0,1]=3 614 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,2,0,0,0,0|0,0,0]=2 615 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,2,0,0,0,0|0,0,0]=2 616 B9R0.48 CCOC(=O)C=CC(=O)O M157991 [0,2,0,0,0,0|0,0,2]=4 617 B9R0.48 CCOC(=O)C=CC(=O)O Z135126 [0,2,0,0,0,0|0,0,2]=4 618 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,2,0,0,0,0|1,0,0]=3 619 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,2,0,0,0,0|1,0,0]=3 620 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,2,0,0,0,0|0,0,0]=2 621 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.11 CC(C)(CC(=O)O)C(=O)O D107306 [0,2,0,0,0,0|0,0,0]=2 623 B9R0.11 CC(CC(=O)[O-])(C(=O)[O-])O P464056 [0,2,0,0,0,0|0,0,2]=4 624 B9R0.39 CC(=O)NC(CO)C(=O)O N181909 [0,2,0,0,0,0|2,0,0]=4 625 B9R0.39 CC(=O)NC(CS)C(=O)O A105420 [0,2,0,0,0,0|2,0,0]=4 626 B9R0.39 CC(=O)NC(CS)C(=O)O A105421 [0,2,0,0,0,0|2,0,0]=4 627 B9R0.39 CC(=O)NC(CS)C(=O)O A105422 [0,2,0,0,0,0|2,0,0]=4 628 B9R0.39 CC(=O)NC(CS)C(=O)O S588470 [0,2,0,0,0,0|2,0,0]=4 629 B9R0.39 CC(=O)NC(CS)C(O)=O A408248 [0,2,0,0,0,0|2,0,0]=4 630 B9R0.39 CCC(C(=O)O)NC(=O)C N159750 [0,2,0,0,0,0|2,0,0]=4 631 B9R0.39 CNC(CC(=O)O)C(=O)O N129532 [0,2,0,0,0,0|0,0,0]=2 632 B9R0.39 CNC(CC(=O)O)C(=O)O N131805 [0,2,0,0,0,0|0,0,0]=2 633 B9R0.39 CNC(CC(=O)O)C(=O)O N276566 [0,2,0,0,0,0|0,0,0]=2 634 B9R0.39 CNC(CC(=O)O)C(=O)O N338153 [0,2,0,0,0,0|0,0,0]=2 635 B9R0.39 CNC(CC(O)=O)C(O)=O N407747 [0,2,0,0,0,0|0,0,0]=2 636 B9R0.57 C(C(C(=O)O)N)P(=O)(O)O D286664 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S161224 [0,2,0,0,0,0|1,0,0]=3 638 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S168870 [0,2,0,0,0,0|1,0,0]=3 639 B9R0.79 C(=C(C(=O)O)O)(C(=O)O)O D300533 [0,2,0,0,0,0|0,0,2]=4 640 B9R0.79 C(=C(C(=O)O)O)(C(=O)O)O D422432 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D106725 [0,2,0,0,0,0|0,0,0]=2 642 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D170796 [0,2,0,0,0,0|0,0,0]=2 643 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N H157320 [0,2,0,0,0,0|0,0,0]=2 644 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D115662 [0,2,0,0,0,0|0,0,0]=2 645 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D134225 [0,2,0,0,0,0|0,0,0]=2 646 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421263 [0,2,0,0,0,0|0,0,0]=2 647 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421725 [0,2,0,0,0,0|0,0,0]=2 648 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O L426628 [0,2,0,0,0,0|0,0,0]=2 649 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O M158070 [0,2,0,0,0,0|0,0,0]=2 650 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O S115663 [0,2,0,0,0,0|0,0,0]=2 651 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T104048 [0,2,0,0,0,0|0,0,0]=2 652 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107139 [0,2,0,0,0,0|0,0,0]=2 653 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107140 [0,2,0,0,0,0|0,0,0]=2 654 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112459 [0,2,0,0,0,0|0,0,0]=2 655 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112460 [0,2,0,0,0,0|0,0,0]=2 656 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112462 [0,2,0,0,0,0|0,0,0]=2 657 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T128785 [0,2,0,0,0,0|0,0,0]=2 658 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291742 [0,2,0,0,0,0|0,0,0]=2 659 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291743 [0,2,0,0,0,0|0,0,0]=2 660 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291770 [0,2,0,0,0,0|0,0,0]=2 661 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D107254 [0,2,0,0,0,0|0,0,0]=2 662 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D303164 [0,2,0,0,0,0|0,0,0]=2 663 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S M423151 [0,2,0,0,0,0|0,0,0]=2 664 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O A112564 [0,2,0,0,0,0|0,0,1]=3 665 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C113873 [0,2,0,0,0,0|0,0,1]=3 666 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C301989 [0,2,0,0,0,0|0,0,1]=3 667 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C426624 [0,2,0,0,0,0|0,0,1]=3 668 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P101331 [0,2,0,0,0,0|0,0,1]=3 669 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P299369 [0,2,0,0,0,0|0,0,1]=3 670 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P358957 [0,2,0,0,0,0|0,0,1]=3 671 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O S298746 [0,2,0,0,0,0|0,0,1]=3 672 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O A103700 [0,2,0,0,0,0|0,0,2]=4 673 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O C110533 [0,2,0,0,0,0|0,0,2]=4 674 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O C110534 [0,2,0,0,0,0|0,0,2]=4 675 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O D433096 [0,2,0,0,0,0|0,0,2]=4 676 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O F332028 [0,2,0,0,0,0|0,0,2]=4 677 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O L109091 [0,2,0,0,0,0|0,0,2]=4 678 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O L303402 [0,2,0,0,0,0|0,0,2]=4 679 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112433 [0,2,0,0,0,0|0,0,2]=4 680 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112435 [0,2,0,0,0,0|0,0,2]=4 681 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112611 [0,2,0,0,0,0|0,0,2]=4 682 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112616 [0,2,0,0,0,0|0,0,2]=4 683 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112617 [0,2,0,0,0,0|0,0,2]=4 684 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P196337 [0,2,0,0,0,0|0,0,2]=4 685 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P298754 [0,2,0,0,0,0|0,0,2]=4 686 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P433187 [0,2,0,0,0,0|0,0,2]=4 687 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P639655 [0,2,0,0,0,0|0,0,2]=4 688 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S111691 [0,2,0,0,0,0|0,0,2]=4 689 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S111693 [0,2,0,0,0,0|0,0,2]=4 690 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S304799 [0,2,0,0,0,0|0,0,2]=4 691 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S397539 [0,2,0,0,0,0|0,0,2]=4 692 B9R0.79 CC(C(C(=O)O)N)C(=O)O D137663 [0,2,0,0,0,0|0,0,0]=2 693 B9R0.79 CC(C(C)C(=O)O)C(=O)O D167070 [0,2,0,0,0,0|0,0,0]=2 694 B9R0.79 CC(C(C)C(=O)O)C(=O)O M344284 [0,2,0,0,0,0|0,0,0]=2 695 B9R0.79 CC(C(C)O)C(C(=O)O)N H102974 [0,2,0,0,0,0|1,0,1]=4 696 B9R0.79 CC(C(C)O)C(C(=O)O)N H134438 [0,2,0,0,0,0|1,0,1]=4 697 B9R0.77 C(CP(=O)(O)O)P(=O)(O)O E156032 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.77 C(CS(=O)(=O)O)S(=O)(=O)O E156417 [0,2,0,0,0,0|2,0,0]=4 699 B7R1.2 C1=CC(=O)OC1=O M116389 [1,0,0,1,0,0|0,0,2]=4 700 B7R1.2 C1=CC(=O)OC1=O M332470 [1,0,0,1,0,0|0,0,2]=4 701 B7R1.2 C1=CC(=O)OC1=O P134891 [1,0,0,1,0,0|0,0,2]=4 702 B7R1.2 C1=CC(=O)OC1=O P303284 [1,0,0,1,0,0|0,0,2]=4 703 B7R1.2 C1=CC(=O)OC1=O P304899 [1,0,0,1,0,0|0,0,2]=4 704 B7R1.2 C1=CC(=O)OC1=O P434514 [1,0,0,1,0,0|0,0,2]=4 705 B7R1.2 C1=CC(=O)OC1=O P434525 [1,0,0,1,0,0|0,0,2]=4 706 B7R1.2 C1=CC(=O)OC1=O P434526 [1,0,0,1,0,0|0,0,2]=4 707 B7R1.2 C1=CC(=O)OC1=O P493757 [1,0,0,1,0,0|0,0,2]=4 708 B7R1.2 C1C(=CC(=O)O1)O T103765 [1,0,0,1,0,0|2,0,0]=4 709 B7R1.2 C1C(=O)COC1=O T101326 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.2 C1C(=O)NC(=O)N1 H100923 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.2 C1C(=O)NC(=O)S1 T109725 [1,0,0,1,0,0|2,0,0]=4 712 B7R1.2 C1C(=O)OC(=O)N1 O132967 [1,0,0,1,0,0|1,0,0]=3 713 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,1,0,0|1,0,0]=3 714 B7R1.2 C1CC(=O)NC1=O S104077 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.2 C1CC(=O)NC1=O S104079 [1,0,0,1,0,0|1,0,0]=3 716 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,1,0,0|0,0,0]=2 717 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,1,0,0|0,0,0]=2 718 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,1,0,0|2,0,0]=4 719 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,1,0,0|1,0,1]=4 720 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,1,0,0|1,0,1]=4 721 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|1,0,1]=4 722 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,1,0,0|1,0,1]=4 723 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|1,0,1]=4 724 B7R1.10 C1C(CC1=O)CO H175239 [1,0,0,1,0,0|1,0,1]=4 725 B7R1.12 C1C(C1F)C(=O)O F191156 [1,0,0,1,0,0|1,0,1]=4 726 B7R1.12 C1C(C1F)C(=O)O R586886 [1,0,0,1,0,0|1,0,1]=4 727 B7R1.12 C1C(C1F)C(=O)O R587591 [1,0,0,1,0,0|1,0,1]=4 728 B7R1.12 C1C(C1F)C(=O)O S587590 [1,0,0,1,0,0|1,0,1]=4 729 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|1,0,1]=4 730 B7R1.18 C1C(CN1)C(=O)O A103105 [1,0,0,1,0,0|2,0,0]=4 731 B7R1.18 C1C(CO1)C(=O)O O166062 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,1,0,0|1,0,1]=4 733 B7R1.18 C1CNC1C(=O)O A124088 [1,0,0,1,0,0|1,0,1]=4 734 B7R1.18 C1CNC1C(=O)O A175896 [1,0,0,1,0,0|1,0,1]=4 735 B7R1.18 C1CNC1C(=O)O R177416 [1,0,0,1,0,0|1,0,1]=4 736 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|1,0,1]=4 737 B9R1.35 C1C(CNC1=O)C(=O)O O177293 [0,0,0,1,0,1|1,0,0]=3 738 B9R1.35 C1C(CNC1C(=O)O)O C177424 [0,0,0,1,0,1|1,0,1]=4 739 B9R1.35 C1C(CNC1C(=O)O)O C422902 [0,0,0,1,0,1|1,0,1]=4 740 B9R1.35 C1C(CNC1C(=O)O)O H110730 [0,0,0,1,0,1|1,0,1]=4 741 B9R1.35 C1C(CNC1C(=O)O)O H111005 [0,0,0,1,0,1|1,0,1]=4 742 B9R1.35 C1C(CNC1C(=O)O)O I132870 [0,0,0,1,0,1|1,0,1]=4 743 B9R1.35 C1C(CNC1C(=O)O)O I134121 [0,0,0,1,0,1|1,0,1]=4 744 B9R1.35 C1C(CNC1C(=O)O)O R174124 [0,0,0,1,0,1|1,0,1]=4 745 B9R1.35 C1C(CNC1C(=O)O)O T424412 [0,0,0,1,0,1|1,0,1]=4 746 B9R1.35 C1C(CNC1C(=O)O)O T485298 [0,0,0,1,0,1|1,0,1]=4 747 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [0,0,0,1,0,1|1,0,0]=3 748 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [0,0,0,1,0,1|1,0,0]=3 749 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,0,0,1,0,1|1,0,0]=3 750 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [0,0,0,1,0,1|1,0,0]=3 751 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [0,0,0,1,0,1|1,0,0]=3 752 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [0,0,0,1,0,1|1,0,0]=3 753 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [0,0,0,1,0,1|1,0,0]=3 754 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [0,0,0,1,0,1|1,0,0]=3 755 B9R1.35 C1CC(=O)NC1C(=O)[O-] L303332 [0,0,0,1,0,1|1,0,1]=4 756 B9R1.35 C1CC(=O)NC1C(=O)[O-] S300331 [0,0,0,1,0,1|1,0,1]=4 757 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,1,0,1|0,0,0]=2 758 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,1,0,1|0,0,0]=2 759 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,1,0,1|0,0,0]=2 760 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,0,1|1,0,1]=4 761 B9R1.161 C1(C(O1)C(=O)O)C(=O)O C153802 [0,0,0,1,0,1|0,0,0]=2 762 B9R1.161 C1(C(O1)C(=O)O)C(=O)O P160610 [0,0,0,1,0,1|0,0,0]=2 763 B9R1.161 C1C(C1C(=O)O)C(=O)O C332473 [0,0,0,1,0,1|0,0,0]=2 764 B9R1.82 COC(=O)C1CC(=O)C1 M589916 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,1,0,1,0,0|1,0,1]=4 767 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,1,0,1,0,0|1,0,1]=4 768 B5R0.5 C(=O)(C(=O)Br)Br O167477 [0,0,0,0,2,0|2,0,0]=4 769 B5R0.5 C(=O)(C(=O)Cl)Cl O104558 [0,0,0,0,2,0|2,0,0]=4 770 B5R0.5 C(=O)(C(=O)Cl)Cl O434200 [0,0,0,0,2,0|2,0,0]=4 771 B5R0.5 C(=O)(C(=O)N)N O113868 [0,0,0,0,2,0|2,0,0]=4 772 B5R0.5 C(=O)(C(=O)O)N O138881 [0,0,0,0,2,0|1,0,0]=3 773 B5R0.5 C(=O)(C(=O)O)O B301311 [0,0,0,0,2,0|0,0,0]=2 774 B5R0.5 C(=O)(C(=O)O)O C111747 [0,0,0,0,2,0|0,0,0]=2 775 B5R0.5 C(=O)(C(=O)O)O C111748 [0,0,0,0,2,0|0,0,0]=2 776 B5R0.5 C(=O)(C(=O)O)O C118872 [0,0,0,0,2,0|0,0,0]=2 777 B5R0.5 C(=O)(C(=O)O)O E194461 [0,0,0,0,2,0|0,0,0]=2 778 B5R0.5 C(=O)(C(=O)O)O E332175 [0,0,0,0,2,0|0,0,0]=2 779 B5R0.5 C(=O)(C(=O)O)O M304253 [0,0,0,0,2,0|0,0,0]=2 780 B5R0.5 C(=O)(C(=O)O)O O107179 [0,0,0,0,2,0|0,0,0]=2 781 B5R0.5 C(=O)(C(=O)O)O O107180 [0,0,0,0,2,0|0,0,0]=2 782 B5R0.5 C(=O)(C(=O)O)O O107181 [0,0,0,0,2,0|0,0,0]=2 783 B5R0.5 C(=O)(C(=O)O)O O107182 [0,0,0,0,2,0|0,0,0]=2 784 B5R0.5 C(=O)(C(=O)O)O O111910 [0,0,0,0,2,0|0,0,0]=2 785 B5R0.5 C(=O)(C(=O)O)O O111912 [0,0,0,0,2,0|0,0,0]=2 786 B5R0.5 C(=O)(C(=O)O)O O111916 [0,0,0,0,2,0|0,0,0]=2 787 B5R0.5 C(=O)(C(=O)O)O O111917 [0,0,0,0,2,0|0,0,0]=2 788 B5R0.5 C(=O)(C(=O)O)O O111918 [0,0,0,0,2,0|0,0,0]=2 789 B5R0.5 C(=O)(C(=O)O)O O291733 [0,0,0,0,2,0|0,0,0]=2 790 B5R0.5 C(=O)(C(=O)O)O O291734 [0,0,0,0,2,0|0,0,0]=2 791 B5R0.5 C(=O)(C(=O)O)O O291735 [0,0,0,0,2,0|0,0,0]=2 792 B5R0.5 C(=O)(C(=O)O)O O291762 [0,0,0,0,2,0|0,0,0]=2 793 B5R0.5 C(=O)(C(=O)O)O O301562 [0,0,0,0,2,0|0,0,0]=2 794 B5R0.5 C(=O)(C(=O)O)O O421641 [0,0,0,0,2,0|0,0,0]=2 795 B5R0.5 C(=O)(C(=O)O)O O432116 [0,0,0,0,2,0|0,0,0]=2 796 B5R0.5 C(=O)(C(=O)O)O O433119 [0,0,0,0,2,0|0,0,0]=2 797 B5R0.5 C(=O)(C(=O)O)O O433120 [0,0,0,0,2,0|0,0,0]=2 798 B5R0.5 C(=O)(C(=O)O)O O639870 [0,0,0,0,2,0|0,0,0]=2 799 B5R0.5 C(=O)(C(=O)O)O P639574 [0,0,0,0,2,0|0,0,0]=2 800 B5R0.5 C(=O)(C(=O)O)O V302994 [0,0,0,0,2,0|0,0,0]=2 801 B5R0.5 C(=O)(C(=O)[O-])N O159953 [0,0,0,0,2,0|1,0,1]=4 802 B5R0.5 C(=O)(C(=O)[O-])N S123221 [0,0,0,0,2,0|1,0,1]=4 803 B5R0.5 C(=O)(C(=O)[O-])O P112431 [0,0,0,0,2,0|0,0,1]=3 804 B5R0.5 C(=O)(C(=O)[O-])O P112432 [0,0,0,0,2,0|0,0,1]=3 805 B5R0.5 C(=O)(C(=O)[O-])[O-] A107177 [0,0,0,0,2,0|0,0,2]=4 806 B5R0.5 C(=O)(C(=O)[O-])[O-] A111621 [0,0,0,0,2,0|0,0,2]=4 807 B5R0.5 C(=O)(C(=O)[O-])[O-] A111623 [0,0,0,0,2,0|0,0,2]=4 808 B5R0.5 C(=O)(C(=O)[O-])[O-] A111624 [0,0,0,0,2,0|0,0,2]=4 809 B5R0.5 C(=O)(C(=O)[O-])[O-] A111625 [0,0,0,0,2,0|0,0,2]=4 810 B5R0.5 C(=O)(C(=O)[O-])[O-] A111626 [0,0,0,0,2,0|0,0,2]=4 811 B5R0.5 C(=O)(C(=O)[O-])[O-] A189700 [0,0,0,0,2,0|0,0,2]=4 812 B5R0.5 C(=O)(C(=O)[O-])[O-] C104249 [0,0,0,0,2,0|0,0,2]=4 813 B5R0.5 C(=O)(C(=O)[O-])[O-] C104338 [0,0,0,0,2,0|0,0,2]=4 814 B5R0.5 C(=O)(C(=O)[O-])[O-] C304075 [0,0,0,0,2,0|0,0,2]=4 815 B5R0.5 C(=O)(C(=O)[O-])[O-] D332176 [0,0,0,0,2,0|0,0,2]=4 816 B5R0.5 C(=O)(C(=O)[O-])[O-] E283493 [0,0,0,0,2,0|0,0,2]=4 817 B5R0.5 C(=O)(C(=O)[O-])[O-] G335314 [0,0,0,0,2,0|0,0,2]=4 818 B5R0.5 C(=O)(C(=O)[O-])[O-] I104328 [0,0,0,0,2,0|0,0,2]=4 819 B5R0.5 C(=O)(C(=O)[O-])[O-] I104329 [0,0,0,0,2,0|0,0,2]=4 820 B5R0.5 C(=O)(C(=O)[O-])[O-] I196235 [0,0,0,0,2,0|0,0,2]=4 821 B5R0.5 C(=O)(C(=O)[O-])[O-] I283342 [0,0,0,0,2,0|0,0,2]=4 822 B5R0.5 C(=O)(C(=O)[O-])[O-] L193903 [0,0,0,0,2,0|0,0,2]=4 823 B5R0.5 C(=O)(C(=O)[O-])[O-] L345282 [0,0,0,0,2,0|0,0,2]=4 824 B5R0.5 C(=O)(C(=O)[O-])[O-] L401056 [0,0,0,0,2,0|0,0,2]=4 825 B5R0.5 C(=O)(C(=O)[O-])[O-] M304150 [0,0,0,0,2,0|0,0,2]=4 826 B5R0.5 C(=O)(C(=O)[O-])[O-] N189075 [0,0,0,0,2,0|0,0,2]=4 827 B5R0.5 C(=O)(C(=O)[O-])[O-] N190420 [0,0,0,0,2,0|0,0,2]=4 828 B5R0.5 C(=O)(C(=O)[O-])[O-] N418669 [0,0,0,0,2,0|0,0,2]=4 829 B5R0.5 C(=O)(C(=O)[O-])[O-] P100094 [0,0,0,0,2,0|0,0,2]=4 830 B5R0.5 C(=O)(C(=O)[O-])[O-] P100095 [0,0,0,0,2,0|0,0,2]=4 831 B5R0.5 C(=O)(C(=O)[O-])[O-] P111570 [0,0,0,0,2,0|0,0,2]=4 832 B5R0.5 C(=O)(C(=O)[O-])[O-] P111574 [0,0,0,0,2,0|0,0,2]=4 833 B5R0.5 C(=O)(C(=O)[O-])[O-] P111576 [0,0,0,0,2,0|0,0,2]=4 834 B5R0.5 C(=O)(C(=O)[O-])[O-] P299230 [0,0,0,0,2,0|0,0,2]=4 835 B5R0.5 C(=O)(C(=O)[O-])[O-] S112348 [0,0,0,0,2,0|0,0,2]=4 836 B5R0.5 C(=O)(C(=O)[O-])[O-] S112353 [0,0,0,0,2,0|0,0,2]=4 837 B5R0.5 C(=O)(C(=O)[O-])[O-] S112355 [0,0,0,0,2,0|0,0,2]=4 838 B5R0.5 C(=O)(C(=O)[O-])[O-] S112356 [0,0,0,0,2,0|0,0,2]=4 839 B5R0.5 C(=O)(C(=O)[O-])[O-] S112992 [0,0,0,0,2,0|0,0,2]=4 840 B5R0.5 C(=O)(C(=O)[O-])[O-] S117539 [0,0,0,0,2,0|0,0,2]=4 841 B5R0.5 C(=O)(C(=O)[O-])[O-] S299314 [0,0,0,0,2,0|0,0,2]=4 842 B5R0.5 C(=O)(C(=O)[O-])[O-] S304156 [0,0,0,0,2,0|0,0,2]=4 843 B5R0.5 C(=O)(C(=O)[O-])[O-] T100112 [0,0,0,0,2,0|0,0,2]=4 844 B5R0.5 C(=O)(C(=O)[O-])[O-] Y283407 [0,0,0,0,2,0|0,0,2]=4 845 B5R0.5 C(=O)(C(=O)[O-])[O-] Z303988 [0,0,0,0,2,0|0,0,2]=4 846 B5R0.5 C=C(C(=O)O)F F193388 [0,0,0,0,2,0|2,0,0]=4 847 B5R0.5 CC(=C)C(=O)O M102640 [0,0,0,0,2,0|2,0,0]=4 848 B5R0.5 CC(=C)C(=O)O M102641 [0,0,0,0,2,0|2,0,0]=4 849 B5R0.5 CC(=C)C(=O)O M102642 [0,0,0,0,2,0|2,0,0]=4 850 B5R0.5 CC(=C)C(=O)O M434201 [0,0,0,0,2,0|2,0,0]=4 851 B5R0.5 CC(=C)C(O)=O P477951 [0,0,0,0,2,0|2,0,0]=4 852 B5R0.5 CC(=O)C(=O)C B104601 [0,0,0,0,2,0|2,0,0]=4 853 B5R0.5 CC(=O)C(=O)C B104602 [0,0,0,0,2,0|2,0,0]=4 854 B5R0.5 CC(=O)C(=O)C B104603 [0,0,0,0,2,0|2,0,0]=4 855 B5R0.5 CC(=O)C(=O)C B432715 [0,0,0,0,2,0|2,0,0]=4 856 B5R0.5 CC(=O)C(=O)O P104136 [0,0,0,0,2,0|1,0,0]=3 857 B5R0.5 CC(=O)C(=O)O P104138 [0,0,0,0,2,0|1,0,0]=3 858 B5R0.5 CC(=O)C(=O)O P421121 [0,0,0,0,2,0|1,0,0]=3 859 B5R0.5 CC(=O)C(=O)[O-] C135949 [0,0,0,0,2,0|1,0,1]=4 860 B5R0.5 CC(=O)C(=O)[O-] L157766 [0,0,0,0,2,0|1,0,1]=4 861 B5R0.5 CC(=O)C(=O)[O-] P332759 [0,0,0,0,2,0|1,0,1]=4 862 B5R0.5 CC(=O)C(=O)[O-] S104174 [0,0,0,0,2,0|1,0,1]=4 863 B5R0.5 CC(=O)C(=O)[O-] S345696 [0,0,0,0,2,0|1,0,1]=4 864 B5R0.5 CC(C(=O)O)O L107595 [0,0,0,0,2,0|1,0,1]=4 865 B5R0.5 CC(C(=O)O)O L107596 [0,0,0,0,2,0|1,0,1]=4 866 B5R0.5 CC(C(=O)O)O L108839 [0,0,0,0,2,0|1,0,1]=4 867 B5R0.5 CC(C(=O)O)O L108841 [0,0,0,0,2,0|1,0,1]=4 868 B5R0.5 CC(C(=O)O)O L122089 [0,0,0,0,2,0|1,0,1]=4 869 B5R0.5 CC(C(=O)O)O L122090 [0,0,0,0,2,0|1,0,1]=4 870 B5R0.5 CC(C(=O)O)O L291729 [0,0,0,0,2,0|1,0,1]=4 871 B5R0.5 CC(C(=O)O)O L291730 [0,0,0,0,2,0|1,0,1]=4 872 B5R0.5 CC(C(=O)O)O L291731 [0,0,0,0,2,0|1,0,1]=4 873 B5R0.5 CC(C(=O)O)O L291732 [0,0,0,0,2,0|1,0,1]=4 874 B5R0.5 CC(C(=O)O)O L425989 [0,0,0,0,2,0|1,0,1]=4 875 B5R0.5 CC(C(=O)O)O P169115 [0,0,0,0,2,0|1,0,1]=4 876 B5R0.5 CC(C(=O)O)O S161106 [0,0,0,0,2,0|1,0,1]=4 877 B9R0.55 C(=CC(=O)O)C=CC(=O)O C420637 [0,0,0,0,0,2|0,0,2]=4 878 B9R0.55 C(=CC(=O)O)C=CC(=O)O I132987 [0,0,0,0,0,2|0,0,2]=4 879 B9R0.55 C(=CC(=O)O)C=CC(=O)O T162087 [0,0,0,0,0,2|0,0,2]=4 880 B9R0.55 C(=CC(=O)O)C=CC(=O)O T333830 [0,0,0,0,0,2|0,0,2]=4 881 B9R0.55 C(=CC(=O)O)C=CC(=O)O T423615 [0,0,0,0,0,2|0,0,2]=4 882 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [0,0,0,0,0,2|0,0,0]=2 883 B9R0.55 C(C(=O)[O-])SSCC(=O)[O-] D404145 [0,0,0,0,0,2|0,0,2]=4 884 B9R0.55 C(C=CCC(=O)O)C(=O)O T162070 [0,0,0,0,0,2|0,0,0]=2 885 B9R0.55 C(CC(=O)O)CN=C(N)N G300266 [0,0,0,0,0,2|2,0,0]=4 886 B9R0.55 C(CC(=O)O)CN=C(N)N G424089 [0,0,0,0,0,2|2,0,0]=4 887 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [0,0,0,0,0,2|2,0,0]=4 888 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [0,0,0,0,0,2|2,0,0]=4 889 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,0,0,0,0,2|0,0,0]=2 890 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,0,0,0,0,2|0,0,0]=2 891 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,0,0,0,0,2|0,0,0]=2 892 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,0,0,0,0,2|0,0,0]=2 893 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,0,0,0,0,2|0,0,0]=2 894 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,0,0,0,0,2|0,0,0]=2 895 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,0,0,0,0,2|0,0,0]=2 896 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,0,0,0,0,2|0,0,0]=2 897 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,0,0,0,0,2|0,0,0]=2 898 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [0,0,0,0,0,2|0,0,2]=4 899 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [0,0,0,0,0,2|0,0,2]=4 900 B9R0.55 C(COC(=O)Cl)OC(=O)Cl E337490 [0,0,0,0,0,2|2,0,0]=4 901 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,0,0,0,0,2|1,0,0]=3 902 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,0,0,0,0,2|1,0,0]=3 903 B9R0.55 CC(=O)OCCOC(=O)C E156135 [0,0,0,0,0,2|2,0,0]=4 904 B9R0.55 CC(=O)OCCOC(=O)C E196368 [0,0,0,0,0,2|2,0,0]=4