0 B8R0.8 C(CC(C(=O)O)N)CN L350090 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 C(CC(C(=O)O)N)CN L413185 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 C(CC(C(=O)O)N)CN L423300 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.8 C(CC(C(=O)O)N)CN L425600 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.8 C(CC(C(=O)O)N)CN L432617 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.8 C(CC(C(=O)O)N)CN O101048 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.8 C(CC(C(=O)O)N)CN O108803 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.8 C(CC(C(=O)O)N)CN S161189 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.8 C(CC(C(=O)O)N)CN S161190 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.8 C(CC(C(=O)O)N)CN S589622 [0,0,0,0,0,0|1,0,1]=2 10 B8R0.8 C=CCOC(=O)C(=O)Cl A123322 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 CC(=C)C(=O)OCCBr B589157 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.8 CC(=C)C(=O)OCCCl M140401 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.8 CC(=C)C(=O)OCCN A168938 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.8 CC(=C)C(=O)OCCO H103044 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.8 CC(=C)C(=O)OCCO H140643 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.8 CC(=C)C(=O)OCCO H140644 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.8 CC(=C)C(=O)OCCO H303891 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.8 CC(=C)C(=O)OCCO H434293 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.8 CC(C(=O)NCCO)O N158965 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,0,0,0,0,0|1,0,1]=2 22 B8R0.8 CCCCC(=O)C(C)C M158862 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.8 CCCCC(C(=O)O)N L485252 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.8 CCCCC(C(=O)O)N N105991 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.8 CCCCC(C(=O)O)N N109230 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.8 CCCCC(C(=O)O)N S136235 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.8 CCCCC(C(=O)O)O H300379 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.8 CCCCC(C(=O)O)O H425022 [0,0,0,0,0,0|1,0,2]=3 30 B8R0.8 CCCCC(C)C(=O)O M158388 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.8 CCCCC(C)C(=O)O M424064 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.8 CCCOC(=O)C(C)O P160122 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.8 CSCCC(C(=O)O)N D423548 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.8 CSCCC(C(=O)O)N D424961 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.8 CSCCC(C(=O)O)N L133003 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.8 CSCCC(C(=O)O)N L425234 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.8 CSCCC(C(=O)O)N M101130 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.8 CSCCC(C(=O)O)N M101131 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.8 CSCCC(C(=O)O)N M104886 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.8 CSCCC(C(=O)O)N M109223 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 CSCCC(C(=O)O)O H194065 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.3 C(CC(=O)NN)CO B301222 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.3 C=CC(=O)NCCO N159040 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.3 C=CC(=O)OCCCl C477272 [1,0,0,0,0,0|3,0,0]=4 49 B7R0.3 C=CC(=O)OCCO H104535 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.3 CCCCC(=O)CC H103766 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.3 CCCCC(=O)NN P135113 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.3 CCCCC(=O)OC M108213 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.3 CCCCC(=O)OC M108214 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.3 CCCNC(=O)C=C N404954 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.3 COC(=O)CCCBr M158832 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.3 COC(=O)CCCBr M492178 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.3 COC(=O)CCCCl C108118 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.3 COC(=O)CCCI M167258 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.3 COC(=O)CCCN M124081 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 C#CCCCC(=O)O H111132 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,0,0,0,0|0,0,3]=4 62 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,0,0,0,0|1,0,1]=3 64 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,0,0,0,0|0,0,1]=2 67 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,0,0,0,0|0,0,1]=2 68 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,0,0,0,0|0,0,1]=2 69 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,0,0,0,0|0,0,1]=2 70 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,0,0,0,0|0,0,1]=2 71 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.4 C=CCCCC(=O)O H157078 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.4 CC(=O)OCCCCl C135233 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.4 CC(=O)SCCCBr B333089 [1,0,0,0,0,0|3,0,0]=4 77 B7R0.4 CCCC=CC(=O)C H156932 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|1,0,1]=3 89 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|1,0,1]=3 90 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.4 CCCCNC(=O)N B152704 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|3,0,0]=4 96 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|3,0,0]=4 98 B7R0.4 CCOC=CC(=O)O E185593 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.4 COCC=CC(=O)O E589767 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.5 C(CBr)C(C(=O)O)N A101191 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.5 C(CN)C(C(=O)O)N D102446 [1,0,0,0,0,0|1,0,1]=3 108 B7R0.5 C(CN)C(C(=O)O)N D113499 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.5 C(CN)C(C(=O)O)N D117019 [1,0,0,0,0,0|1,0,1]=3 110 B7R0.5 C(CN)C(C(=O)O)O H181248 [1,0,0,0,0,0|0,0,2]=3 111 B7R0.5 C(CN)C(C(=O)O)O S161042 [1,0,0,0,0,0|0,0,2]=3 112 B7R0.5 C(CO)C(C(=O)O)N H100541 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.5 C(CO)C(C(=O)O)N H101557 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.5 C(CO)C(C(=O)O)N H105430 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.5 C(CO)C(C(=O)O)N L425384 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.5 C(CS)C(C(=O)O)N H106297 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.5 C(CS)C(C(=O)O)N L134501 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.5 CCC=C(C)C(=O)O M102542 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.5 CCC=C(C)C(=O)O M107371 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.5 CCCC(=O)C(=O)C H106696 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.5 CCCC(=O)C(=O)O O159954 [1,0,0,0,0,0|0,0,0]=1 122 B7R0.5 CCCC(C(=O)O)Br B152768 [1,0,0,0,0,0|1,0,1]=3 123 B7R0.5 CCCC(C(=O)O)N N100542 [1,0,0,0,0,0|1,0,1]=3 124 B7R0.5 CCCC(C(=O)O)N N106191 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.5 CCCC(C(=O)O)N N106215 [1,0,0,0,0,0|1,0,1]=3 126 B7R0.5 CCCC(C(=O)O)O S193305 [1,0,0,0,0,0|0,0,2]=3 127 B7R0.5 CCCC(C(=O)[O-])O B301319 [1,0,0,0,0,0|0,0,3]=4 128 B7R0.5 CCCC(C)C(=O)C M158798 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.5 CCCC(C)C(=O)O B300596 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.5 CCCC(C)C(=O)O M117868 [1,0,0,0,0,0|1,0,1]=3 131 B7R0.5 CCCC(C)C(=O)O M427193 [1,0,0,0,0,0|1,0,1]=3 132 B7R0.5 CCOC(=O)C(=C)C E103001 [1,0,0,0,0,0|3,0,0]=4 133 B7R0.5 CCOC(=O)C(=C)C E103002 [1,0,0,0,0,0|3,0,0]=4 134 B7R0.5 CCOC(=O)C(=C)C E492609 [1,0,0,0,0,0|3,0,0]=4 135 B7R0.5 CCOC(=O)C(=O)C E113332 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.5 CCOC(=O)C(=O)Cl E109372 [1,0,0,0,0,0|2,0,0]=3 137 B7R0.5 CCOC(=O)C(=O)N E156399 [1,0,0,0,0,0|2,0,0]=3 138 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [1,0,0,0,0,0|1,0,1]=3 139 B7R0.5 CCOC(=O)C(=S)N E101723 [1,0,0,0,0,0|2,1,0]=4 140 B7R0.5 CCOC(=O)C(C)O E104551 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.5 CCOC(=O)C(C)O E104553 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.5 CCOC(=O)C(C)O E104554 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.5 CCOC(=O)C(C)O E108228 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.5 CCOC(=O)C(C)O E108230 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.5 CCOC(=O)C(C)O E465744 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.5 CCSC(C)C(=O)O E168418 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.5 CNCC(C(=O)O)N S132658 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.5 COCC(C(=O)O)Cl C133763 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.5 COCC(C(=O)O)N S135785 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.5 CSCC(C(=O)O)N M116973 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.5 C[Se]CC(C(=O)O)N S161277 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,1,0,0,0,0|1,0,2]=4 155 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,1,0,0,0,0|1,0,2]=4 156 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,1,0,0,0,0|1,0,2]=4 157 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,1,0,0,0,0|1,0,2]=4 158 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,1,0,0,0,0|1,0,2]=4 159 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,1,0,0,0,0|1,0,2]=4 160 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,1,0,0,0,0|1,0,1]=3 162 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,1,0,0,0,0|1,0,1]=3 163 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,1,0,0,0,0|1,0,1]=3 164 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] D154292 [0,1,0,0,0,0|1,0,2]=4 165 B9R0.8 CCCCC(C(=O)OC)Br M111380 [0,1,0,0,0,0|2,0,1]=4 166 B9R0.8 CCCCC(C(=O)OC)N D134849 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.8 COC(=O)C(CCCBr)Br M184869 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.8 COC(=O)C(CCCN)N O116997 [0,1,0,0,0,0|1,0,1]=3 169 B9R0.13 CCCCC(CC)C(=O)O E103541 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.13 CCCCC(CC)C(=O)O E103542 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.13 CCCCC(CC)C(=O)O E103543 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.13 CCCCC(CC)C(=O)O M282652 [0,1,0,0,0,0|2,0,1]=4 173 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,1,0,0,0,0|1,0,1]=3 174 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,1,0,0,0,0|1,0,1]=3 175 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,1,0,0,0,0|1,0,1]=3 176 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,1,0,0,0,0|1,0,1]=3 177 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,1,0,0,0,0|1,0,1]=3 178 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,1,0,0,0,0|1,0,1]=3 180 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,1,0,0,0,0|1,0,1]=3 181 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,1,0,0,0,0|1,0,1]=3 182 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,1,0,0,0,0|1,0,1]=3 183 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,1,0,0,0,0|1,0,1]=3 184 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,1,0,0,0,0|1,0,1]=3 185 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,1,0,0,0,0|1,0,1]=3 186 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,1,0,0,0,0|1,0,1]=3 187 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,1,0,0,0,0|1,0,1]=3 188 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,1,0,0,0,0|1,0,1]=3 189 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,1,0,0,0,0|1,0,1]=3 190 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,1,0,0,0,0|1,0,1]=3 191 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,1,0,0,0,0|1,0,1]=3 192 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,1,0,0,0,0|1,0,1]=3 193 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,1,0,0,0,0|1,0,1]=3 194 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.47 C(CSCC(C(=O)O)N)N S170219 [0,1,0,0,0,0|1,0,1]=3 196 B9R0.47 CC(=C)C(=O)NCCCN N129096 [0,1,0,0,0,0|2,0,0]=3 197 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,1,0,0,0,0|2,0,0]=3 198 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,1,0,0,0,0|3,0,0]=4 202 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,1,0,0,0,0|3,0,0]=4 203 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,1,0,0,0,0|3,0,0]=4 204 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.47 CCSCCC(C(=O)O)N E117217 [0,1,0,0,0,0|2,0,1]=4 207 B9R0.47 CCSCCC(C(=O)O)N E117218 [0,1,0,0,0,0|2,0,1]=4 208 B9R0.51 CCCCC(C)(C)C(=O)O D154699 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.6 C1CC(CNC1)C(=O)N P121557 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,0,1,0,0|1,0,1]=3 211 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,0,1,0,0|1,0,1]=3 212 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,0,1,0,0|1,0,1]=3 213 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,0,1,0,0|1,0,1]=3 214 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [0,0,0,1,0,0|2,0,0]=3 215 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,0,1,0,0|2,0,1]=4 216 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,0,1,0,0|2,0,1]=4 217 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,0,1,0,0|2,0,1]=4 219 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,0,1,0,0|2,0,1]=4 220 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,0,1,0,0|2,0,1]=4 221 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,0,1,0,0|2,0,1]=4 222 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,0,1,0,0|2,0,1]=4 223 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,0,1,0,0|2,0,1]=4 225 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,0,1,0,0|2,0,1]=4 227 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,0,1,0,0|2,0,1]=4 228 B9R1.6 C1CNCC(=C1)C(=O)O G579450 [0,0,0,1,0,0|1,0,1]=3 229 B9R1.23 CN1CC(CC1=O)CN A178284 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [0,0,0,1,0,0|2,0,1]=4 231 B9R1.35 C1CC(CC1C(=O)O)N A187884 [0,0,0,1,0,0|1,0,1]=3 232 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.112 C1CC1CC(C(=O)O)N C117163 [0,0,0,1,0,0|2,0,1]=4 234 B9R1.112 C1CC1CC(C(=O)O)N C117208 [0,0,0,1,0,0|2,0,1]=4 235 B9R1.163 C1CCC(C1)(C(=O)O)N A151472 [0,0,0,1,0,0|2,0,1]=4 236 B9R1.163 C1CCC(C1)(C(=O)O)O H181982 [0,0,0,1,0,0|1,0,2]=4 237 B9R1.163 CC1(CCCN1)C(=O)O A151336 [0,0,0,1,0,0|1,0,1]=3 238 B9R1.163 CC1(CCCN1)C(=O)O M535955 [0,0,0,1,0,0|1,0,1]=3 239 B9R1.163 CC1(CCCN1)C(=O)O R589748 [0,0,0,1,0,0|1,0,1]=3 240 B9R1.163 CC1(CCCN1)C(=O)O S174369 [0,0,0,1,0,0|1,0,1]=3 241 B9R0.4 CCCCC(CC(=O)O)N A165644 [0,0,0,0,0,1|2,0,1]=4 242 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,0,0,0,0,1|3,0,0]=4 243 B6R0.1 CCC=C(C)C=O M102187 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.1 CCCC(=O)CC H106710 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.1 CCCC(=O)NN B183968 [2,0,0,0,0,0|2,0,0]=4 246 B6R0.1 CCCC(=O)OC M100038 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.1 CCCC(=O)OC M100039 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.1 CCCC(=O)OC M100040 [2,0,0,0,0,0|2,0,0]=4 249 B6R0.1 CCCC(=O)SC M102997 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.1 CCCC(C)C=O M158691 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.1 CCNC(=O)C=C N136947 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.1 CCOC(=O)C=C E112943 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.1 CCOC(=O)C=C E112944 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.1 CCOC(=O)C=C E112945 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.1 CCOC(=O)C=C E465763 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.1 CCOC(=O)C=O E106246 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.1 CCOC(=O)CO E101730 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.1 COC(=O)CCN A104532 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.4 C#CCCC(=O)O P133515 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.4 C(C=CC(=O)O)Br B152770 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.4 C(C=CC(=O)O)O T341890 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.4 C(CC(=O)Cl)CBr B102197 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.4 C(CC(=O)Cl)CCl C109449 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.4 C(CC(=O)O)C#N C191241 [2,0,0,0,0,0|0,0,2]=4 266 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|0,0,0]=2 269 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|0,0,0]=2 270 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|0,0,0]=2 271 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|0,0,0]=2 272 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|0,0,0]=2 273 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|0,0,0]=2 274 B6R0.4 C(CN)C[P+](=O)O A275461 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.4 CC(=O)NCCN A117219 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.4 CC(=O)OCCN A588049 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.4 CC(=O)SCCN T340735 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.4 CCC#CC(=O)O P137286 [2,0,0,0,0,0|0,0,2]=4 282 B6R0.4 CCC=CC(=O)O T162309 [2,0,0,0,0,0|0,0,1]=3 283 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,1]=4 290 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|0,0,1]=3 291 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|0,0,1]=3 292 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|0,0,1]=3 293 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|0,0,1]=3 294 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|0,0,1]=3 295 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|0,0,2]=4 296 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.4 CCCNC(=O)N P589707 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.4 CCCOC(=O)N P194271 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.6 C(CCN)CCO A107210 [2,0,0,0,0,0|0,0,2]=4 309 B6R0.6 C(CCN)CCO A565375 [2,0,0,0,0,0|0,0,2]=4 310 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|2,0,0]=4 311 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|1,0,1]=4 312 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|1,0,1]=4 314 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.3 C(=O)(C(=O)NN)N O138938 [2,0,0,0,0,0|2,0,0]=4 318 B6R0.3 C(C(=O)C(=O)O)Br B120321 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.3 C(C(=O)C(=O)O)O H276063 [2,0,0,0,0,0|1,0,0]=3 320 B6R0.3 C(C(=O)C(=O)[O-])F F168911 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.3 C(C(C(=O)O)N)N D102444 [2,0,0,0,0,0|1,0,1]=4 322 B6R0.3 C(C(C(=O)O)N)N D102445 [2,0,0,0,0,0|1,0,1]=4 323 B6R0.3 C(C(C(=O)O)N)N O105987 [2,0,0,0,0,0|1,0,1]=4 324 B6R0.3 C(C(C(=O)O)N)N S161147 [2,0,0,0,0,0|1,0,1]=4 325 B6R0.3 C(C(C(=O)O)O)N I123583 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.3 C(C(C(=O)O)O)N S137278 [2,0,0,0,0,0|0,0,2]=4 327 B6R0.3 C=C(CBr)C(=O)O B137347 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.3 CC(=O)C(=O)CBr B185016 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.3 CC(=O)C(=O)OC M136953 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.3 CC(CN)C(=O)O D131745 [2,0,0,0,0,0|1,0,1]=4 331 B6R0.3 CC(CN)C(=O)O R340811 [2,0,0,0,0,0|1,0,1]=4 332 B6R0.3 CC(CN)C(=O)O S340803 [2,0,0,0,0,0|1,0,1]=4 333 B6R0.3 CC=C(C)C(=O)O B137277 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.3 CC=C(C)C(=O)O T107164 [2,0,0,0,0,0|1,0,1]=4 335 B6R0.3 CCC(=C)C(=O)O E477290 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.3 CCC(=O)C(=O)C P106293 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.3 CCC(=O)C(=O)O K106253 [2,0,0,0,0,0|0,0,0]=2 338 B6R0.3 CCC(=O)C(=O)[O-] S161412 [2,0,0,0,0,0|0,0,1]=3 339 B6R0.3 CCC(C(=O)O)Br B108037 [2,0,0,0,0,0|1,0,1]=4 340 B6R0.3 CCC(C(=O)O)Cl C153465 [2,0,0,0,0,0|1,0,1]=4 341 B6R0.3 CCC(C(=O)O)Cl S161173 [2,0,0,0,0,0|1,0,1]=4 342 B6R0.3 CCC(C(=O)O)N A109788 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.3 CCC(C(=O)O)N A111241 [2,0,0,0,0,0|1,0,1]=4 344 B6R0.3 CCC(C(=O)O)N A111260 [2,0,0,0,0,0|1,0,1]=4 345 B6R0.3 CCC(C(=O)O)N A414642 [2,0,0,0,0,0|1,0,1]=4 346 B6R0.3 CCC(C(=O)O)N D422924 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.3 CCC(C(=O)O)O D298806 [2,0,0,0,0,0|0,0,2]=4 348 B6R0.3 CCC(C(=O)O)O S192800 [2,0,0,0,0,0|0,0,2]=4 349 B6R0.3 CCC(C)C(=O)O I167890 [2,0,0,0,0,0|1,0,1]=4 350 B6R0.3 CCC(C)C(=O)O M107377 [2,0,0,0,0,0|1,0,1]=4 351 B6R0.3 CNC(=O)C(=O)O M588605 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.3 COC(=O)C(=O)Cl M111140 [2,0,0,0,0,0|2,0,0]=4 353 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|2,0,0]=4 354 B8R0.1 CCOC(=O)CCCN E122453 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.3 CCCC(C(=O)NO)N B300173 [1,1,0,0,0,0|2,0,0]=4 356 B8R0.6 CCCCCC(=O)C=C O160047 [1,1,0,0,0,0|2,0,0]=4 357 B8R0.6 CCCCNC(=O)C=C N405436 [1,1,0,0,0,0|2,0,0]=4 358 B8R0.6 CCCCOC(=O)C=C B100034 [1,1,0,0,0,0|2,0,0]=4 359 B8R0.6 CCCCOC(=O)C=C B100035 [1,1,0,0,0,0|2,0,0]=4 360 B8R0.6 CCCCOC(=O)C=C B100036 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.6 CCCCOC(=O)C=C B100037 [1,1,0,0,0,0|2,0,0]=4 362 B8R0.6 CCCCOC(=O)CO B134012 [1,1,0,0,0,0|1,0,1]=4 363 B8R0.6 CCCCOC(=O)CO B493056 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.7 C#CCCCCC(=O)O H107741 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.7 C(CCC(=O)O)CCN A306000 [1,1,0,0,0,0|0,0,1]=3 368 B8R0.7 C(CCC(=O)O)CCN A433060 [1,1,0,0,0,0|0,0,1]=3 369 B8R0.7 C(CCC(=O)O)CCO H302536 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.7 C(CCC(=O)O)CCS M292991 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.7 C(CCC(=O)O)CCS M345400 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.7 C(CN)CNCC(=O)O N159195 [1,1,0,0,0,0|0,0,1]=3 373 B8R0.7 C(COCCN)C(=O)O A412738 [1,1,0,0,0,0|0,0,1]=3 374 B8R0.7 CC(=O)NCCCCN I168071 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.7 CC(=O)NCCCCN N159176 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.7 CCCC=CCC(=O)O H303362 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.7 CCCCC#CC(=O)O H157081 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.7 CCCCC=CC(=O)C O100829 [1,1,0,0,0,0|2,0,0]=4 379 B8R0.7 CCCCC=CC(=O)O H305279 [1,1,0,0,0,0|1,0,0]=3 380 B8R0.7 CCCCCCC(=O)O H103518 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.7 CCCCCCC(=O)O H103519 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.7 CCCCCCC(=O)O H103520 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.7 CCCCCCC(=O)O H431469 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.7 CCCCOCC(=O)O B152317 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.21 C(CCP(=O)(O)O)CN A169868 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.21 C(CN)COP(=O)(O)O A338244 [1,1,0,0,0,0|2,0,0]=4 387 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [1,1,0,0,0,0|0,0,2]=4 388 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|1,0,1]=4 389 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [1,1,0,0,0,0|0,0,0]=2 390 B8R0.2 CCC(C)C(=O)C(=O)[O-] C154025 [1,1,0,0,0,0|0,0,1]=3 391 B8R0.2 CCC(C)C(C(=O)O)N D465658 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.2 CCC(C)C(C(=O)O)N I103488 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.2 CCC(C)C(C(=O)O)N I105431 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.2 CCC(C)C(C(=O)O)N I113733 [1,1,0,0,0,0|1,0,1]=4 395 B8R0.2 CCC(C)C(C(=O)O)N I113995 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.2 CCC(C)C(C(=O)O)N I115775 [1,1,0,0,0,0|1,0,1]=4 397 B8R0.2 CCC(C)C(C(=O)O)N I117745 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.2 CCC(C)C(C(=O)O)N L425728 [1,1,0,0,0,0|1,0,1]=4 399 B8R0.2 CCC(C)C(C(=O)O)O H351180 [1,1,0,0,0,0|0,0,2]=4 400 B8R0.12 CCCC(C)(C)C(=O)O D154848 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.23 C(C(=O)C(=O)O)C(=O)O O107187 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [1,1,0,0,0,0|0,0,0]=2 403 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [1,1,0,0,0,0|0,0,0]=2 404 B8R0.23 CC(C)CC(=O)C(=O)[O-] C107926 [1,1,0,0,0,0|0,0,1]=3 405 B8R0.23 CC(C)CC(=O)C(=O)[O-] M136620 [1,1,0,0,0,0|0,0,1]=3 406 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [1,1,0,0,0,0|1,0,1]=4 407 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [1,1,0,0,0,0|1,0,1]=4 408 B8R0.23 CC(C)CC(C(=O)O)N L100046 [1,1,0,0,0,0|1,0,1]=4 409 B8R0.23 CC(C)CC(C(=O)O)N L104898 [1,1,0,0,0,0|1,0,1]=4 410 B8R0.23 CC(C)CC(C(=O)O)N L110997 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.23 CC(C)CC(C(=O)O)N L117742 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.23 CC(C)CC(C(=O)O)N L425126 [1,1,0,0,0,0|1,0,1]=4 413 B8R0.23 CC(C)CC(C(=O)O)N L433130 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.23 CC(C)CC(C(=O)O)O L421425 [1,1,0,0,0,0|0,0,2]=4 415 B8R0.23 CC(C)CC(C(=O)O)O R182597 [1,1,0,0,0,0|0,0,2]=4 416 B8R0.23 CC(C)CC(C(=O)O)O S161033 [1,1,0,0,0,0|0,0,2]=4 417 B8R0.23 CC(C)CC(C(=O)O)O S161215 [1,1,0,0,0,0|0,0,2]=4 418 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,1,0,0,0,1|1,0,1]=4 419 B10R0.6 CCCCOC(=O)CC(=O)C B152871 [0,1,0,0,0,1|2,0,0]=4 420 B10R0.18 CCCCC(=O)CC(=O)OC M158508 [0,1,0,0,0,1|1,0,0]=3 421 B10R0.82 C(CC(C(=O)O)N)C(CN)O H112850 [0,2,0,0,0,0|1,0,1]=4 422 B10R0.83 COC(=O)C(CCCCN)N D404620 [0,2,0,0,0,0|1,0,1]=4 423 B10R0.83 COC(=O)C(CCCCN)N L100451 [0,2,0,0,0,0|1,0,1]=4 424 B10R0.83 COC(=O)C(CCCCN)N S134411 [0,2,0,0,0,0|1,0,1]=4 425 B10R0.17 CCCCC(C(=O)O)C(=O)O B152310 [0,2,0,0,0,0|1,0,1]=4 426 B10R0.88 CCCCC(C(=O)O)NC=O F339094 [0,2,0,0,0,0|1,0,1]=4 427 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.2 C1CCC(=CC1)C=O C468613 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.3 C1CC(=O)CCC1N A194532 [1,0,0,1,0,0|1,0,1]=4 430 B8R1.5 C1CC(C(=O)NC1)Br B588801 [1,0,0,1,0,0|1,0,1]=4 431 B8R1.5 C1CC(C(=O)NC1)N A121540 [1,0,0,1,0,0|1,0,1]=4 432 B8R1.5 C1CC(C(=O)NC1)N A121541 [1,0,0,1,0,0|1,0,1]=4 433 B8R1.5 C1CC(C(=O)NC1)N A181382 [1,0,0,1,0,0|1,0,1]=4 434 B8R1.5 C1CC(C(=O)NC1)N I170302 [1,0,0,1,0,0|1,0,1]=4 435 B8R1.5 C1CC(C(=O)NC1)O H191839 [1,0,0,1,0,0|0,0,2]=4 436 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [1,0,0,1,0,0|1,0,0]=3 437 B8R1.5 C1CCC(=O)C(C1)O H133366 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.5 CN1CCCNC1=O M493197 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,1,0,0|1,0,1]=4 440 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.50 CC1=C(C(=O)CC1)O H139285 [1,0,0,1,0,0|1,0,1]=4 442 B8R1.50 CC1CCC(=O)C1=O M109224 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.4 C1CNC(=O)CC1N A174477 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|1,0,1]=4 445 B8R1.7 C1C(NCS1)C(=O)O T137734 [1,0,0,1,0,0|1,0,1]=4 446 B8R1.7 C1C(NCS1)C(=O)O T303731 [1,0,0,1,0,0|1,0,1]=4 447 B8R1.7 C1C(NCS1)C(=O)O T424020 [1,0,0,1,0,0|1,0,1]=4 448 B8R1.7 C1CC(NC1)C(=O)N P105976 [1,0,0,1,0,0|1,0,1]=4 449 B8R1.7 C1CC(NC1)C(=O)N P121653 [1,0,0,1,0,0|1,0,1]=4 450 B8R1.7 C1CC(NC1)C(=O)N S136613 [1,0,0,1,0,0|1,0,1]=4 451 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|0,0,1]=3 452 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|0,0,1]=3 453 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|0,0,1]=3 454 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|0,0,1]=3 455 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|0,0,1]=3 456 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|0,0,1]=3 457 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|0,0,1]=3 458 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|0,0,1]=3 459 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,1,0,0|1,0,1]=4 460 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,1,0,0|1,0,1]=4 461 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.7 C1CC=C(C1)C(=O)O C153747 [1,0,0,1,0,0|1,0,0]=3 463 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.7 C1CSC(N1)C(=O)O T162356 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.35 C1CC1C=CC(=O)O C176819 [1,0,0,1,0,0|1,0,1]=4 466 B8R1.54 C1CC1C(C(=O)O)N S170587 [1,0,0,1,0,0|1,0,1]=4 467 B8R1.78 C1CC(C1)(C(=O)O)N A102435 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.78 C1CC(C1)(C(=O)O)N A151474 [1,0,0,1,0,0|1,0,1]=4 469 B8R1.78 C1CC(C1)(C(=O)O)O H176443 [1,0,0,1,0,0|0,0,2]=4 470 B8R1.78 CC1(CCC1)C(=O)O M176146 [1,0,0,1,0,0|1,0,1]=4 471 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,0,0,1,0,1|1,0,1]=4 472 B10R1.61 C1CC(C(=O)NC1)C(=O)O O170260 [0,0,0,1,0,1|2,0,0]=4 473 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,0,0,1,0,1|2,0,0]=4 474 B10R1.130 CCCC1C(=O)NC(=O)N1 P160274 [0,0,0,1,0,1|2,0,0]=4 475 B10R1.13 C1CC(=O)NN=C1C(=O)O T162653 [0,1,0,1,0,0|1,0,1]=4 476 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,1,0,1,0,0|1,0,1]=4 477 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,1,0,1,0,0|1,0,1]=4 478 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,1,0,1,0,0|1,0,1]=4 479 B10R1.14 COC(=O)C1CCC(C1)N M175133 [0,1,0,1,0,0|1,0,1]=4 480 B10R1.15 COC(=O)C1=CCCCC1 M168102 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.15 COC(=O)C1CCCNC1 M172997 [0,1,0,1,0,0|1,0,1]=4 482 B10R1.15 COC(=O)C1CCCNC1 M193627 [0,1,0,1,0,0|1,0,1]=4 483 B10R1.411 CC1(CCCN1)C(=O)OC M173222 [0,1,0,1,0,0|1,0,1]=4 484 B10R1.411 CC1(CCCN1)C(=O)OC M175761 [0,1,0,1,0,0|1,0,1]=4 485 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,1,0,0|1,0,1]=4 486 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,1,0,0|1,0,1]=4 487 B10R1.113 CN1CCC=C(C1)C(=O)O B301332 [0,1,0,1,0,0|1,0,1]=4