0 B9R0.55 C(=CC(=O)O)C=CC(=O)O C420637 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.55 C(=CC(=O)O)C=CC(=O)O I132987 [0,0,0,0,0,0|0,0,4]=4 2 B9R0.55 C(=CC(=O)O)C=CC(=O)O T162087 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.55 C(=CC(=O)O)C=CC(=O)O T333830 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.55 C(=CC(=O)O)C=CC(=O)O T423615 [0,0,0,0,0,0|0,0,4]=4 5 B9R0.55 C(C(=O)O)SSCC(=O)O D113563 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.55 C(C(=O)[O-])SSCC(=O)[O-] D404145 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.55 C(C=CCC(=O)O)C(=O)O T162070 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.55 C(CC(=O)O)CN=C(N)N G300266 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.55 C(CC(=O)O)CN=C(N)N G424089 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [0,0,0,0,0,0|0,0,0]=0 14 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [0,0,0,0,0,0|0,0,0]=0 15 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [0,0,0,0,0,0|0,0,0]=0 16 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [0,0,0,0,0,0|0,0,0]=0 17 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [0,0,0,0,0,0|0,0,0]=0 18 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [0,0,0,0,0,0|0,0,0]=0 19 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [0,0,0,0,0,0|0,0,0]=0 20 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [0,0,0,0,0,0|0,0,0]=0 21 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [0,0,0,0,0,0|0,0,2]=2 22 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [0,0,0,0,0,0|0,0,2]=2 23 B9R0.55 C(COC(=O)Cl)OC(=O)Cl E337490 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,0,0,0,0,0|1,0,0]=1 25 B9R0.55 CC(=O)NCCCC(=O)O A169398 [0,0,0,0,0,0|2,0,0]=2 26 B9R0.55 CC(=O)OCCOC(=O)C E156135 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.55 CC(=O)OCCOC(=O)C E196368 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.7 C#CCCCCC(=O)O H107741 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.7 C(CCC(=O)N)CCBr B185341 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,0,0,0,0|1,0,1]=3 36 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,0,0,0,0|0,0,1]=2 38 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,0,0,0,0|0,1,1]=3 39 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,0,0,0,0|0,1,1]=3 40 B8R0.7 C(CCC(=O)[O-])CCO P192074 [1,0,0,0,0,0|0,0,2]=3 41 B8R0.7 C(CN)CNCC(=O)O N159195 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.7 C(CNCC(=O)O)C#N N159829 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.7 C(COCCN)C(=O)O A412738 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.7 C=CCOCCC(=O)O A151450 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.7 CC(=O)OCCCC=C P160540 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.7 CCCCCCC(=O)C O111186 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.7 CCCCCCC(=O)C O111187 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.7 CCCCCCC(=O)Cl H102418 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.7 CCCCCCC(=O)O H103518 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.7 CCCCCCC(=O)O H103519 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.7 CCCCCCC(=O)O H103520 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.7 CCCCCCC(=O)O H431469 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.7 CCCCOCC(=O)O B152317 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.7 COCCOCC(=O)O M138320 [1,0,0,0,0,0|3,0,0]=4 56 B10R0.15 C(CS(=O)(=O)O)NCC(=O)N A100327 [0,1,0,0,0,0|3,0,0]=4 57 B10R0.15 C(CS(=O)(=O)O)NCC(=O)N A100328 [0,1,0,0,0,0|3,0,0]=4 58 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.55 COC(=O)CCCCC(=O)Cl M169854 [0,1,0,0,0,0|1,0,0]=2 60 B10R0.55 COC(=O)CCCCC(=O)O M102995 [0,1,0,0,0,0|0,0,0]=1 61 B10R0.96 C(CC(=O)O)C(CC(=O)O)N H117048 [0,1,0,0,0,0|0,0,0]=1 62 B10R0.96 CC(=O)CC(=O)CCC(=O)O S133736 [0,1,0,0,0,0|1,0,1]=3 63 B10R0.96 CC(CCC(=O)O)CC(=O)O M158387 [0,1,0,0,0,0|0,0,0]=1 64 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S161422 [0,1,0,0,0,0|1,0,0]=2 65 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S303159 [0,1,0,0,0,0|1,0,0]=2 66 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A100535 [0,1,0,0,0,0|0,0,0]=1 67 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117161 [0,1,0,0,0,0|0,0,0]=1 68 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117210 [0,1,0,0,0,0|0,0,0]=1 69 B10R0.98 CC(=O)C(CCOC(=O)C)Cl A347912 [0,1,0,0,0,0|3,0,0]=4 70 B10R0.98 CC(=O)OCCC(C(=O)O)N O351769 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.54 C1C(CNC1CC(=O)O)O L344985 [0,0,0,1,0,0|2,0,1]=4 72 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,0,0,1,0,0|1,0,0]=2 73 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,0,0,1,0,0|2,0,1]=4 74 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,0,0,1,0,0|1,0,1]=3 76 B10R1.113 C1CC(NC(=O)C1)C(=O)O O121564 [0,0,0,1,0,0|1,0,0]=2 77 B10R1.113 C1CC(NC(=O)C1)C(=O)O O349934 [0,0,0,1,0,0|1,0,0]=2 78 B10R1.113 CC1=NCCC(N1)C(=O)O E292674 [0,0,0,1,0,0|3,0,0]=4 79 B10R1.113 CC1=NCCC(N1)C(=O)O E305040 [0,0,0,1,0,0|3,0,0]=4 80 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,0,0,1,0,0|2,0,1]=4 81 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,0,0,1,0,0|2,0,1]=4 82 B10R1.128 CC1(CCCC1C(=O)O)N C348320 [0,0,0,1,0,0|2,0,1]=4 83 B8R0.28 C(C(=O)Cl)OCC(=O)Cl O159911 [0,0,0,0,1,0|3,0,0]=4 84 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [0,0,0,0,1,0|2,0,0]=3 85 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [0,0,0,0,1,0|1,0,0]=2 86 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [0,0,0,0,1,0|1,0,0]=2 87 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [0,0,0,0,1,0|1,0,0]=2 88 B8R0.28 C(C(=O)[O-])NCC(=O)[O-] S168477 [0,0,0,0,1,0|1,0,2]=4 89 B8R0.28 C(CC(=O)Cl)CC(=O)Cl G109391 [0,0,0,0,1,0|2,0,0]=3 90 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [0,0,0,0,1,0|1,0,0]=2 91 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [0,0,0,0,1,0|0,0,0]=1 92 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [0,0,0,0,1,0|0,0,0]=1 93 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [0,0,0,0,1,0|0,0,0]=1 94 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] D154294 [0,0,0,0,1,0|0,0,2]=3 95 B8R0.28 C(CN=C(N)N)C(=O)O D137194 [0,0,0,0,1,0|3,0,0]=4 96 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [0,0,0,0,1,0|2,0,0]=3 97 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [0,0,0,0,1,0|2,0,0]=3 98 B8R0.28 C(CSC(=N)N)C(=O)O I121960 [0,0,0,0,1,0|3,0,0]=4 99 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,0,0,0,1,0|1,0,0]=2 100 B8R0.28 CC(=O)NCCC(=O)O N133308 [0,0,0,0,1,0|2,0,0]=3 101 B8R0.28 CC(=O)SCCC(=O)O A136318 [0,0,0,0,1,0|2,0,0]=3 102 B8R0.28 CC(C)CCCC(=O)O M158389 [0,0,0,0,1,0|2,0,1]=4 103 B8R0.28 CN(C)CCCC(=O)O D589906 [0,0,0,0,1,0|3,0,0]=4 104 B8R0.28 CN(C)CCCC(=O)O W133561 [0,0,0,0,1,0|3,0,0]=4 105 B10R0.97 C(C(=O)O)SCSCC(=O)O M158076 [0,0,0,0,0,1|1,0,0]=2 106 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl P124592 [0,0,0,0,0,1|2,0,0]=3 107 B10R0.97 C(CCC(=O)O)CCC(=O)O P110547 [0,0,0,0,0,1|0,0,0]=1 108 B10R0.97 C(COCCC(=O)O)C(=O)O O589607 [0,0,0,0,0,1|0,0,0]=1 109 B10R0.97 C(CSCCC(=O)O)C(=O)O T106635 [0,0,0,0,0,1|0,0,0]=1 110 B10R0.97 C(CSCCC(=O)O)C(=O)O T431470 [0,0,0,0,0,1|0,0,0]=1 111 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,0,0,0,0,1|1,0,0]=2 112 B7R0.1 C(CCC=O)CC=O A302164 [2,0,0,0,0,0|0,0,0]=2 113 B7R0.1 C(CCCO)CCO H103707 [2,0,0,0,0,0|0,0,2]=4 114 B7R0.1 C(CCCO)CCO H103708 [2,0,0,0,0,0|0,0,2]=4 115 B7R0.1 C=CCCCCC=C O159998 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.1 C=CCCCCCO H156869 [2,0,0,0,0,0|1,0,1]=4 117 B7R0.1 CCCCCCC=O H105934 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.1 CCCCCCC=O H105935 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.4 C#CCCCC(=O)O H111132 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.4 C(CC#N)CC(=O)O C184246 [2,0,0,0,0,0|1,0,1]=4 121 B7R0.4 C(CCBr)CC(=O)Cl B138857 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.4 C(CCBr)CC(=O)O B106966 [2,0,0,0,0,0|1,0,0]=3 123 B7R0.4 C(CCCl)CC(=O)Cl C102473 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.4 C(CCCl)CC(=O)O C153468 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.4 C(CCN)CC(=O)O A107493 [2,0,0,0,0,0|1,0,0]=3 126 B7R0.4 C(CCN)CC(=O)O A151151 [2,0,0,0,0,0|1,0,0]=3 127 B7R0.4 C(CCN)CC(=O)O A151349 [2,0,0,0,0,0|1,0,0]=3 128 B7R0.4 C(CCN)CC(=O)O A491891 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.4 C(CCN)CC(=O)O A491894 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.4 C(CCO)CC(=O)[O-] H184096 [2,0,0,0,0,0|0,0,1]=3 131 B7R0.4 C(CNCC(=O)O)N A124646 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.4 C=CCCCC(=O)O H157078 [2,0,0,0,0,0|0,0,1]=3 133 B7R0.4 CC(=O)CCCCCl C108058 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.4 CC(CCCCO)O H474422 [2,0,0,0,0,0|1,0,1]=4 135 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|1,0,1]=4 136 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.4 CCCCCC(=O)Cl H102419 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCCCC(=O)Cl H130076 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.4 CCCCCC(=O)N H157108 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|0,0,1]=3 141 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|0,0,1]=3 142 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|0,0,1]=3 143 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|0,0,1]=3 144 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|0,0,1]=3 145 B7R0.4 CCCCCC(=O)[O-] S161313 [2,0,0,0,0,0|0,0,2]=4 146 B7R0.4 CCOCCC(=O)O E156172 [2,0,0,0,0,0|1,0,1]=4 147 B7R0.4 CNCCCC(=O)O M276212 [2,0,0,0,0,0|1,0,1]=4 148 B7R0.4 CNCCCC(=O)O M397624 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.4 COCCCC(=O)O M192558 [2,0,0,0,0,0|1,0,1]=4 150 B7R0.4 [CH]CCCCC(=O)[N] P111447 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.4 [CH]CCCCC(=O)[N] P128923 [2,0,0,0,0,0|1,0,1]=4 152 B9R0.2 C#CCCCCCC(=O)O O491862 [1,1,0,0,0,0|1,0,1]=4 153 B9R0.2 C(CCCBr)CCC(=O)O B138642 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.2 C(CCCN)CCC(=O)O A151309 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.2 C(CCCN)CCC(=O)O A334272 [1,1,0,0,0,0|1,0,1]=4 156 B9R0.2 C(CCCO)CCC(=O)O H334249 [1,1,0,0,0,0|0,0,1]=3 157 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [1,1,0,0,0,0|0,0,2]=4 158 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [1,1,0,0,0,0|2,0,0]=4 159 B9R0.2 C=CCCCCCC(=O)O O168152 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.2 CC(=O)OCCCCC=C H157305 [1,1,0,0,0,0|2,0,0]=4 161 B9R0.2 CCCCCCCC(=O)O N421038 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.2 CCCCCCCC(=O)O O108276 [1,1,0,0,0,0|1,0,1]=4 163 B9R0.2 CCCCCCCC(=O)O O108277 [1,1,0,0,0,0|1,0,1]=4 164 B9R0.2 CCCCCCCC(=O)O O108278 [1,1,0,0,0,0|1,0,1]=4 165 B9R0.2 CCCCCCCC(=O)O O108279 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.2 CCCCCCCC(=O)O O431649 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.2 CCCCCCCC(=O)O R113304 [1,1,0,0,0,0|1,0,1]=4 168 B9R0.2 COCCCCCC(=O)O M170253 [1,1,0,0,0,0|0,0,1]=3 169 B9R0.4 CCCCC(CC(=O)O)N A165644 [1,1,0,0,0,0|1,0,1]=4 170 B9R0.46 CCCCCCC(=O)OC M158054 [1,1,0,0,0,0|1,0,1]=4 171 B9R0.46 CCCCCCC(=O)OC M158149 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.46 COC(=O)CCCCCN M138421 [1,1,0,0,0,0|1,0,1]=4 173 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [1,1,0,0,0,0|1,0,1]=4 175 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [1,1,0,0,0,0|1,0,1]=4 176 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [1,1,0,0,0,0|1,0,1]=4 177 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [1,1,0,0,0,0|1,0,1]=4 178 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [1,1,0,0,0,0|1,0,1]=4 182 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [1,1,0,0,0,0|1,0,1]=4 186 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [1,1,0,0,0,0|1,0,1]=4 189 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [1,1,0,0,0,0|1,0,1]=4 191 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [1,1,0,0,0,0|1,0,1]=4 192 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.47 C=CCSCC(C(=O)O)N I137523 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.47 CCCCCC(C(=O)O)N D137428 [1,1,0,0,0,0|1,0,1]=4 197 B9R0.47 CCCCCC(C(=O)O)N S193453 [1,1,0,0,0,0|1,0,1]=4 198 B9R0.47 CCCCCC(C)C(=O)O M102645 [1,1,0,0,0,0|1,0,1]=4 199 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,1,0,0,1,0|1,0,1]=4 200 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [0,1,0,0,1,0|2,0,0]=4 201 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [0,1,0,0,1,0|2,0,0]=4 202 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,1,0,0,1,0|1,0,0]=3 203 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,1,0,0,1,0|1,0,0]=3 204 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,1,0,0,1,0|1,0,0]=3 205 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,1,0,0,1,0|1,0,0]=3 206 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,1,0,0,1,0|1,0,0]=3 207 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,1,0,0,1,0|1,0,0]=3 208 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,1,0,0,1,0|1,0,0]=3 209 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,1,0,0,1,0|1,0,0]=3 210 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,1,0,0,1,0|0,0,1]=3 211 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,1,0,0,1,0|0,0,1]=3 212 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,1,0,0,1,0|0,0,1]=3 213 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,1,0,0,1,0|0,0,0]=2 214 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,1,0,0,1,0|0,0,0]=2 215 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,1,0,0,1,0|0,0,0]=2 216 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,1,0,0,1,0|0,0,0]=2 217 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,1,0,0,1,0|0,0,0]=2 218 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,1,0,0,1,0|0,0,0]=2 219 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,1,0,0,1,0|0,0,0]=2 220 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,1,0,0,1,0|0,0,0]=2 221 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,1,0,0,1,0|0,0,0]=2 222 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,1,0,0,1,0|0,0,0]=2 223 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,1,0,0,1,0|0,0,0]=2 224 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,1,0,0,1,0|0,0,0]=2 225 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,1,0,0,1,0|0,0,0]=2 226 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [0,1,0,0,1,0|0,0,1]=3 227 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [0,1,0,0,1,0|0,0,1]=3 228 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [0,1,0,0,1,0|0,0,1]=3 229 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [0,1,0,0,1,0|0,0,1]=3 230 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [0,1,0,0,1,0|0,0,2]=4 231 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O D420421 [0,1,0,0,1,0|0,0,2]=4 232 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S135663 [0,1,0,0,1,0|0,0,2]=4 233 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S137414 [0,1,0,0,1,0|0,0,2]=4 234 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,1,0,0,1,0|2,0,0]=4 235 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,1,0,0,1,0|2,0,0]=4 236 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,1,0,0,1,0|0,0,0]=2 237 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,1,0,0,1,0|2,0,0]=4 238 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,1,0,0,1,0|2,0,0]=4 239 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A106799 [0,1,0,0,1,0|0,0,1]=3 240 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A424629 [0,1,0,0,1,0|0,0,1]=3 241 B9R0.53 C(C(CC(=O)O)N)C(=O)O A191855 [0,1,0,0,1,0|0,0,0]=2 242 B9R0.53 C(C(CC(=O)O)N)C(=O)O G404504 [0,1,0,0,1,0|0,0,0]=2 243 B9R0.53 CC(CC(=O)O)CC(=O)O M158378 [0,1,0,0,1,0|0,0,0]=2 244 B9R0.53 CC(CC(=O)O)CC(=O)O M425178 [0,1,0,0,1,0|0,0,0]=2 245 B9R0.53 CN(CC(=O)O)CC(=O)O M129189 [0,1,0,0,1,0|1,0,0]=3 246 B9R0.56 C(C(=O)O)NCP(=O)(O)O G340900 [0,1,0,0,1,0|2,0,0]=4 247 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109919 [0,1,0,0,1,0|2,0,0]=4 248 B9R0.56 C(C(=O)O)NCP(=O)(O)O P109922 [0,1,0,0,1,0|2,0,0]=4 249 B9R0.56 C(C(=O)O)NCP(=O)(O)O P123117 [0,1,0,0,1,0|2,0,0]=4 250 B11R0.6 CC(CCC=C(C)C)CC(=O)O C153558 [0,1,0,0,0,1|2,0,0]=4 251 B11R0.29 B(CCSCC(C(=O)O)N)(O)O B413875 [0,1,0,0,0,1|1,0,1]=4 252 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A100356 [0,1,0,0,0,1|2,0,0]=4 253 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103103 [0,1,0,0,0,1|2,0,0]=4 254 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103484 [0,1,0,0,0,1|2,0,0]=4 255 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103485 [0,1,0,0,0,1|2,0,0]=4 256 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A103486 [0,1,0,0,0,1|2,0,0]=4 257 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A108220 [0,1,0,0,0,1|2,0,0]=4 258 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A109212 [0,1,0,0,0,1|2,0,0]=4 259 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A110423 [0,1,0,0,0,1|2,0,0]=4 260 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A117772 [0,1,0,0,0,1|2,0,0]=4 261 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A117773 [0,1,0,0,0,1|2,0,0]=4 262 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A118651 [0,1,0,0,0,1|2,0,0]=4 263 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N A137768 [0,1,0,0,0,1|2,0,0]=4 264 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N D351356 [0,1,0,0,0,1|2,0,0]=4 265 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N D425650 [0,1,0,0,0,1|2,0,0]=4 266 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L170343 [0,1,0,0,0,1|2,0,0]=4 267 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L185231 [0,1,0,0,0,1|2,0,0]=4 268 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L274353 [0,1,0,0,0,1|2,0,0]=4 269 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L420636 [0,1,0,0,0,1|2,0,0]=4 270 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L425810 [0,1,0,0,0,1|2,0,0]=4 271 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N L474020 [0,1,0,0,0,1|2,0,0]=4 272 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N C109228 [0,1,0,0,0,1|1,0,0]=3 273 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D134396 [0,1,0,0,0,1|1,0,0]=3 274 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D134801 [0,1,0,0,0,1|1,0,0]=3 275 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N D425187 [0,1,0,0,0,1|1,0,0]=3 276 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N L303962 [0,1,0,0,0,1|1,0,0]=3 277 B11R0.29 C(CC(C(=O)O)N)CNC(=O)N L423677 [0,1,0,0,0,1|1,0,0]=3 278 B11R0.29 C(CCC(=O)O)CC(C(=O)O)N A589712 [0,1,0,0,0,1|0,0,0]=2 279 B11R0.29 CC(=O)NCSCC(C(=O)O)N A109568 [0,1,0,0,0,1|2,0,0]=4 280 B11R0.31 C(CCC(=O)O)CCP(=O)(O)O P333617 [0,1,0,0,0,1|1,0,0]=3 281 B11R0.85 C(C(=O)O)SC(=S)SCC(=O)O B152607 [0,1,0,0,0,1|1,0,1]=4 282 B11R0.111 COC(=O)CCCCCC(=O)O M588000 [0,1,0,0,0,1|0,0,0]=2 283 B11R0.199 C(CCP(=O)(O)O)CP(=O)(O)O B153208 [0,2,0,0,0,0|2,0,0]=4 284 B11R0.318 C(CC(C(=O)O)N)CP(=O)(O)O R137370 [0,2,0,0,0,0|1,0,0]=3 285 B11R0.106 C(CCC(=O)NN)CC(=O)NN A109760 [0,2,0,0,0,0|2,0,0]=4 286 B11R0.106 COC(=O)CCCCC(=O)OC D103057 [0,2,0,0,0,0|0,0,0]=2 287 B11R0.106 COC(=O)CCCCC(=O)OC D103058 [0,2,0,0,0,0|0,0,0]=2 288 B11R0.106 COC(=O)CCCCC(=O)OC D103059 [0,2,0,0,0,0|0,0,0]=2 289 B11R0.106 COC(=O)CCCCC(=O)OC D487620 [0,2,0,0,0,0|0,0,0]=2 290 B11R0.106 COC(=O)CCSCC(=O)OC C136028 [0,2,0,0,0,0|1,0,0]=3 291 B11R0.106 COC(=O)OCCOC(=O)OC D155962 [0,2,0,0,0,0|2,0,0]=4 292 B11R0.109 C(CN=C(N)NO)C(C(=O)O)N N419955 [0,2,0,0,0,0|2,0,0]=4 293 B11R0.176 CCOC(=O)CCCCC(=O)O A101023 [0,2,0,0,0,0|0,0,0]=2 294 B11R0.150 C(CC(C(=O)N)Br)C(C(=O)N)Br D287822 [0,2,0,0,0,0|2,0,0]=4 295 B11R0.150 CC(C(=O)O)SSC(C)C(=O)O D154910 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [1,0,0,1,0,0|1,0,1]=4 297 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [1,0,0,1,0,0|1,0,1]=4 298 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [1,0,0,1,0,0|1,0,1]=4 299 B9R1.6 C1CC(CNC1)C(=O)O P113283 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.6 C1CC(CNC1)C(=O)O P119071 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.6 C1CC(CNC1)C(=O)O P119075 [1,0,0,1,0,0|2,0,0]=4 302 B9R1.6 C1CC(CNC1)C(=O)O R195578 [1,0,0,1,0,0|2,0,0]=4 303 B9R1.6 C1CCC(CC1)C(=O)O C110756 [1,0,0,1,0,0|1,0,1]=4 304 B9R1.6 C1CCNC(C1)C(=O)O D331240 [1,0,0,1,0,0|1,0,1]=4 305 B9R1.6 C1CCNC(C1)C(=O)O D358401 [1,0,0,1,0,0|1,0,1]=4 306 B9R1.6 C1CCNC(C1)C(=O)O D424577 [1,0,0,1,0,0|1,0,1]=4 307 B9R1.6 C1CCNC(C1)C(=O)O H100528 [1,0,0,1,0,0|1,0,1]=4 308 B9R1.6 C1CCNC(C1)C(=O)O P101393 [1,0,0,1,0,0|1,0,1]=4 309 B9R1.6 C1CCNC(C1)C(=O)O P106214 [1,0,0,1,0,0|1,0,1]=4 310 B9R1.6 C1CCNC(C1)C(=O)O S136371 [1,0,0,1,0,0|1,0,1]=4 311 B9R1.6 C1CCNC(C1)C(=O)O S192036 [1,0,0,1,0,0|1,0,1]=4 312 B9R1.6 C1COC(CO1)C(=O)O D187857 [1,0,0,1,0,0|1,0,1]=4 313 B9R1.6 C1COC(CO1)C(=O)O S587772 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.7 CCCC1CCC(=O)O1 H111340 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [1,0,0,1,0,0|1,0,0]=3 316 B9R1.13 C1CC(NC1)CC(=O)O L465252 [1,0,0,1,0,0|1,0,1]=4 317 B9R1.13 C1CC(OC1)CC(=O)O T354856 [1,0,0,1,0,0|0,0,1]=3 318 B9R1.13 C1CCC(C1)CC(=O)O C113786 [1,0,0,1,0,0|1,0,1]=4 319 B9R1.41 C1CNC(C1O)C(=O)O S176477 [1,0,0,1,0,0|1,0,1]=4 320 B9R1.41 CC(=O)C1CCCC1=O A100983 [1,0,0,1,0,0|1,0,0]=3 321 B9R1.41 CC(=O)C1CCCC1=O A489643 [1,0,0,1,0,0|1,0,0]=3 322 B9R1.41 CC(=O)C1CCOC1=O A108065 [1,0,0,1,0,0|2,0,0]=4 323 B9R1.41 CC(=O)N1CCCC1=O A151305 [1,0,0,1,0,0|2,0,0]=4 324 B9R1.41 CN1CCCC1C(=O)O M101560 [1,0,0,1,0,0|2,0,0]=4 325 B9R1.41 CN1CCCC1C(=O)O N170507 [1,0,0,1,0,0|2,0,0]=4 326 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [1,0,0,1,0,0|1,0,0]=3 327 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [1,0,0,1,0,0|0,0,0]=2 328 B9R1.35 C1C(CNC1=O)C(=O)O O177293 [0,0,0,1,1,0|2,0,0]=4 329 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [0,0,0,1,1,0|2,0,0]=4 330 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [0,0,0,1,1,0|1,0,1]=4 331 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,0,0,1,1,0|1,0,0]=3 332 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [0,0,0,1,1,0|1,0,0]=3 333 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [0,0,0,1,1,0|1,0,0]=3 334 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [0,0,0,1,1,0|1,0,0]=3 335 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [0,0,0,1,1,0|1,0,0]=3 336 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [0,0,0,1,1,0|1,0,0]=3 337 B9R1.35 C1CC(=O)NC1C(=O)[O-] L303332 [0,0,0,1,1,0|1,0,1]=4 338 B9R1.35 C1CC(=O)NC1C(=O)[O-] S300331 [0,0,0,1,1,0|1,0,1]=4 339 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,1,1,0|0,0,0]=2 340 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,1,1,0|0,0,0]=2 341 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,1,1,0|0,0,0]=2 342 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,1,0|1,0,1]=4 343 B9R1.161 C1(C(O1)C(=O)O)C(=O)O C153802 [0,0,0,1,1,0|1,0,0]=3 344 B9R1.161 C1(C(O1)C(=O)O)C(=O)O P160610 [0,0,0,1,1,0|1,0,0]=3 345 B9R1.161 C1C(C1C(=O)O)C(=O)O C332473 [0,0,0,1,1,0|0,0,0]=2 346 B11R1.178 CC(=O)N1CCCC1C(=O)O A109365 [0,0,0,1,0,1|1,0,0]=3 347 B11R1.178 CC(=O)N1CCCC1C(=O)O A117204 [0,0,0,1,0,1|1,0,0]=3 348 B11R1.178 CC(=O)N1CCCC1C(=O)O A179290 [0,0,0,1,0,1|1,0,0]=3 349 B11R1.20 C1CC(=O)CCC1CC(=O)O O589355 [0,1,0,1,0,0|1,0,0]=3 350 B11R1.20 C1CC(CCC1CC(=O)O)O H404576 [0,1,0,1,0,0|1,0,1]=4 351 B11R1.23 COC(=O)C1CCCC(=O)C1 O190541 [0,1,0,1,0,0|1,0,0]=3 352 B11R1.23 COC(=O)C1CCCC(C1)O M406445 [0,1,0,1,0,0|1,0,1]=4 353 B11R1.23 COC(=O)C1CCNC(=O)C1 M175906 [0,1,0,1,0,0|2,0,0]=4 354 B11R1.74 C1C(CC(=O)CC1=O)C(=O)O D184501 [0,1,0,1,0,0|1,0,1]=4 355 B11R1.175 C1C(NC(S1)C(=O)O)C(=O)O T162357 [0,1,0,1,0,0|1,0,0]=3 356 B11R2.139 C1C2CC(=O)CC2CC1=O I170737 [0,0,0,2,0,0|2,0,0]=4 357 B11R2.139 C1C2CC(=O)CC2CC1=O T590061 [0,0,0,2,0,0|2,0,0]=4 358 B7R0.6 C(#CC(=O)O)C(=O)O A113362 [0,0,0,0,2,0|0,0,2]=4 359 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [0,0,0,0,2,0|0,0,2]=4 360 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [0,0,0,0,2,0|0,0,2]=4 361 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [0,0,0,0,2,0|0,0,2]=4 362 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [0,0,0,0,2,0|0,0,2]=4 363 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [0,0,0,0,2,0|0,0,2]=4 364 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [0,0,0,0,2,0|0,0,2]=4 365 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [0,0,0,0,2,0|0,0,2]=4 366 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [0,0,0,0,2,0|0,0,2]=4 367 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [0,0,0,0,2,0|0,0,2]=4 368 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [0,0,0,0,2,0|0,0,2]=4 369 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [0,0,0,0,2,0|0,0,2]=4 370 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [0,0,0,0,2,0|0,0,2]=4 371 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [0,0,0,0,2,0|0,0,2]=4 372 B7R0.6 C(C(=O)O)NC(=O)N H157226 [0,0,0,0,2,0|2,0,0]=4 373 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [0,0,0,0,2,0|2,0,0]=4 374 B7R0.6 C(CC(=O)N)C(=O)N S161127 [0,0,0,0,2,0|2,0,0]=4 375 B7R0.6 C(CC(=O)O)C(=O)O P111885 [0,0,0,0,2,0|0,0,0]=2 376 B7R0.6 C(CC(=O)O)C(=O)O S108852 [0,0,0,0,2,0|0,0,0]=2 377 B7R0.6 C(CC(=O)O)C(=O)O S108853 [0,0,0,0,2,0|0,0,0]=2 378 B7R0.6 C(CC(=O)O)C(=O)O S108854 [0,0,0,0,2,0|0,0,0]=2 379 B7R0.6 C(CC(=O)O)C(=O)O S108855 [0,0,0,0,2,0|0,0,0]=2 380 B7R0.6 C(CC(=O)O)C(=O)O S108856 [0,0,0,0,2,0|0,0,0]=2 381 B7R0.6 C(CC(=O)O)C(=O)O S303059 [0,0,0,0,2,0|0,0,0]=2 382 B7R0.6 C(CC(=O)O)C(=O)O S346179 [0,0,0,0,2,0|0,0,0]=2 383 B7R0.6 C(CC(=O)O)C(=O)O S420589 [0,0,0,0,2,0|0,0,0]=2 384 B7R0.6 C(CC(=O)O)C(=O)O S431423 [0,0,0,0,2,0|0,0,0]=2 385 B7R0.6 C(CC(=O)O)C(=O)O S431424 [0,0,0,0,2,0|0,0,0]=2 386 B7R0.6 C(CC(=O)O)C(=O)O S472090 [0,0,0,0,2,0|0,0,0]=2 387 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [0,0,0,0,2,0|0,0,1]=3 388 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [0,0,0,0,2,0|0,0,2]=4 389 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [0,0,0,0,2,0|0,0,2]=4 390 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [0,0,0,0,2,0|0,0,2]=4 391 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [0,0,0,0,2,0|0,0,2]=4 392 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [0,0,0,0,2,0|0,0,2]=4 393 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [0,0,0,0,2,0|0,0,2]=4 394 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [0,0,0,0,2,0|0,0,2]=4 395 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [0,0,0,0,2,0|1,0,1]=4 396 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,2,0|2,0,0]=4 397 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,2,0|2,0,0]=4 398 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,2,0|2,0,0]=4 399 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,2,0|1,0,0]=3 400 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,2,0|1,0,0]=3 401 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,2,0|1,0,0]=3 402 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,2,0|1,0,0]=3 403 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,2,0|2,0,0]=4 404 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,2,0|2,0,0]=4 405 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,2,0|2,0,0]=4 406 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl S160984 [0,0,0,0,0,2|2,0,0]=4 407 B11R0.30 C(CCCC(=O)O)CCC(=O)O S105586 [0,0,0,0,0,2|0,0,0]=2 408 B11R0.30 C(CNCC(=O)O)NCC(=O)O E156066 [0,0,0,0,0,2|0,0,0]=2 409 B11R0.30 C(CSCC(=O)O)SCC(=O)O E156356 [0,0,0,0,0,2|0,0,0]=2 410 B11R0.30 C(CSSCCC(=O)O)C(=O)O D106546 [0,0,0,0,0,2|0,0,0]=2 411 B11R0.30 C(CSSCCC(=O)O)C(=O)O D305354 [0,0,0,0,0,2|0,0,0]=2 412 B11R0.30 CC(=O)NCCCCCC(=O)O A300350 [0,0,0,0,0,2|1,0,0]=3