0 B8R0.8 C(C(C(=O)O)N)N=[N+]=[N-] A463358 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 C(CC(C(=O)O)N)CN L350090 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 C(CC(C(=O)O)N)CN L413185 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 C(CC(C(=O)O)N)CN L423300 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 C(CC(C(=O)O)N)CN L425600 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 C(CC(C(=O)O)N)CN L432617 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 C(CC(C(=O)O)N)CN O101048 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 C(CC(C(=O)O)N)CN O108803 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 C(CC(C(=O)O)N)CN S161189 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.8 C(CC(C(=O)O)N)CN S161190 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.8 C(CC(C(=O)O)N)CN S589622 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.8 CCCCC(C(=O)O)Br B152316 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.8 CCCCC(C(=O)O)N L485252 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.8 CCCCC(C(=O)O)N N105991 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.8 CCCCC(C(=O)O)N N109230 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.8 CCCCC(C(=O)O)N S136235 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.8 CCCCC(C(=O)O)O H300379 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.8 CCCCC(C(=O)O)O H425022 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.8 CCCCC(C)C(=O)O M158388 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.8 CCCCC(C)C(=O)O M424064 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.8 CSCCC(C(=O)N)N S587494 [0,0,0,0,0,0|1,0,0]=1 23 B8R0.8 CSCCC(C(=O)O)N D423548 [0,0,0,0,0,0|0,0,0]=0 24 B8R0.8 CSCCC(C(=O)O)N D424961 [0,0,0,0,0,0|0,0,0]=0 25 B8R0.8 CSCCC(C(=O)O)N L133003 [0,0,0,0,0,0|0,0,0]=0 26 B8R0.8 CSCCC(C(=O)O)N L425234 [0,0,0,0,0,0|0,0,0]=0 27 B8R0.8 CSCCC(C(=O)O)N M101130 [0,0,0,0,0,0|0,0,0]=0 28 B8R0.8 CSCCC(C(=O)O)N M101131 [0,0,0,0,0,0|0,0,0]=0 29 B8R0.8 CSCCC(C(=O)O)N M104886 [0,0,0,0,0,0|0,0,0]=0 30 B8R0.8 CSCCC(C(=O)O)N M109223 [0,0,0,0,0,0|0,0,0]=0 31 B8R0.8 CSCCC(C(=O)O)O H194065 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.8 CSCCC(C(=O)[O-])O C133719 [0,0,0,0,0,0|1,0,1]=2 33 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [0,0,0,0,0,0|0,1,0]=1 34 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [0,0,0,0,0,0|0,1,0]=1 35 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [0,0,0,0,0,0|0,1,0]=1 36 B7R0.3 CCCCC(C=C)O H589251 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.3 CCCCC(CO)N R349958 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.3 CCCCC(CO)O H108067 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 CSCCC(CO)N D339853 [1,0,0,0,0,0|0,0,1]=2 40 B7R0.3 CSCCC(CO)N M117138 [1,0,0,0,0,0|0,0,1]=2 41 B7R0.3 CSCCC(CO)N S167794 [1,0,0,0,0,0|0,0,1]=2 42 B7R0.4 B(CCCCC)(O)O N193507 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 C#CCCCC(=O)O H111132 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.4 C=CCCCC(=O)O H157078 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.4 CC(=O)CCCC#N K157732 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|2,1,0]=4 60 B7R0.4 CCC=CCC(=O)O H101494 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|1,0,1]=3 75 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.4 CCCCNC(=O)N B152704 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|1,0,0]=2 87 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.4 COCC=CC(=O)O E589767 [1,0,0,0,0,0|0,1,2]=4 89 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|0,1,0]=2 90 B7R0.4 COCCOC(=O)Cl M158778 [1,0,0,0,0,0|2,1,0]=4 91 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.5 C#CCC(C(=O)O)N D133969 [1,0,0,0,0,0|0,0,2]=3 94 B7R0.5 C#CCC(C(=O)O)N R192202 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.5 C#CCC(C(=O)O)N R304808 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.5 C#CCC(C(=O)O)N S168837 [1,0,0,0,0,0|0,0,2]=3 97 B7R0.5 C(CBr)C(C(=O)O)N A101191 [1,0,0,0,0,0|1,0,0]=2 98 B7R0.5 C(CN)C(C(=O)O)N D102446 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.5 C(CN)C(C(=O)O)N D113499 [1,0,0,0,0,0|1,0,0]=2 100 B7R0.5 C(CN)C(C(=O)O)N D117019 [1,0,0,0,0,0|1,0,0]=2 101 B7R0.5 C(CN)C(C(=O)O)O H181248 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.5 C(CN)C(C(=O)O)O S161042 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.5 C(CO)C(C(=O)O)N H100541 [1,0,0,0,0,0|0,1,0]=2 104 B7R0.5 C(CO)C(C(=O)O)N H101557 [1,0,0,0,0,0|0,1,0]=2 105 B7R0.5 C(CO)C(C(=O)O)N H105430 [1,0,0,0,0,0|0,1,0]=2 106 B7R0.5 C(CO)C(C(=O)O)N L425384 [1,0,0,0,0,0|0,1,0]=2 107 B7R0.5 C(CS)C(C(=O)O)N H106297 [1,0,0,0,0,0|0,0,0]=1 108 B7R0.5 C(CS)C(C(=O)O)N L134501 [1,0,0,0,0,0|0,0,0]=1 109 B7R0.5 C=CCC(C(=O)O)N A115225 [1,0,0,0,0,0|0,0,2]=3 110 B7R0.5 C=CCC(C(=O)O)N D101189 [1,0,0,0,0,0|0,0,2]=3 111 B7R0.5 C=CCC(C(=O)O)N D107871 [1,0,0,0,0,0|0,0,2]=3 112 B7R0.5 C=CCC(C(=O)O)N S101123 [1,0,0,0,0,0|0,0,2]=3 113 B7R0.5 C=CCC(C(=O)O)N S161223 [1,0,0,0,0,0|0,0,2]=3 114 B7R0.5 CC(CC=C)C(=O)O M111848 [1,0,0,0,0,0|1,0,2]=4 115 B7R0.5 CCC=C(C)C(=O)O M102542 [1,0,0,0,0,0|1,0,2]=4 116 B7R0.5 CCC=C(C)C(=O)O M107371 [1,0,0,0,0,0|1,0,2]=4 117 B7R0.5 CCCC(=O)C(=O)C H106696 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.5 CCCC(=O)C(=O)O O159954 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.5 CCCC(C(=O)O)Br B152768 [1,0,0,0,0,0|1,0,0]=2 120 B7R0.5 CCCC(C(=O)O)N N100542 [1,0,0,0,0,0|0,0,0]=1 121 B7R0.5 CCCC(C(=O)O)N N106191 [1,0,0,0,0,0|0,0,0]=1 122 B7R0.5 CCCC(C(=O)O)N N106215 [1,0,0,0,0,0|0,0,0]=1 123 B7R0.5 CCCC(C(=O)O)O S193305 [1,0,0,0,0,0|1,0,0]=2 124 B7R0.5 CCCC(C(=O)[O-])O B301319 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.5 CCCC(C)C(=O)C M158798 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.5 CCCC(C)C(=O)O B300596 [1,0,0,0,0,0|1,0,0]=2 127 B7R0.5 CCCC(C)C(=O)O M117868 [1,0,0,0,0,0|1,0,0]=2 128 B7R0.5 CCCC(C)C(=O)O M427193 [1,0,0,0,0,0|1,0,0]=2 129 B7R0.5 CCSC(C)C(=O)O E168418 [1,0,0,0,0,0|2,0,0]=3 130 B7R0.5 CNCC(C(=O)O)N S132658 [1,0,0,0,0,0|1,0,0]=2 131 B7R0.5 COCC(C(=O)O)Cl C133763 [1,0,0,0,0,0|1,1,0]=3 132 B7R0.5 COCC(C(=O)O)N S135785 [1,0,0,0,0,0|0,1,0]=2 133 B7R0.5 CSCC(C(=O)O)N M116973 [1,0,0,0,0,0|0,0,0]=1 134 B7R0.5 C[Se]CC(C(=O)O)N S161277 [1,0,0,0,0,0|0,1,0]=2 135 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [0,1,0,0,0,0|3,0,0]=4 136 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [0,1,0,0,0,0|3,0,0]=4 137 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,1,0,0,0,0|2,0,0]=3 140 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,1,0,0,0,0|2,0,0]=3 142 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,1,0,0,0,0|2,0,0]=3 144 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,1,0,0,0,0|2,0,0]=3 145 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,1,0,0,0,0|2,0,0]=3 146 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,1,0,0,0,0|2,0,0]=3 147 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,1,0,0,0,0|2,0,0]=3 150 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,1,0,0,0,0|2,0,0]=3 151 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,1,0,0,0,0|2,0,0]=3 152 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,1,0,0,0,0|2,0,0]=3 153 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,1,0,0,0,0|2,0,0]=3 154 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,1,0,0,0,0|2,0,0]=3 155 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,1,0,0,0,0|2,0,0]=3 156 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,1,0,0,0,0|2,0,0]=3 157 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,1,0,0,0,0|2,0,0]=3 158 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [0,1,0,0,0,0|2,0,0]=3 159 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [0,1,0,0,0,0|2,0,0]=3 160 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [0,1,0,0,0,0|2,0,0]=3 161 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [0,1,0,0,0,0|2,0,0]=3 162 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,1,0,0,0,0|2,0,0]=3 165 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,1,0,0,0,0|3,0,0]=4 166 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,1,0,0,0,0|0,0,1]=2 167 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,1,0,0,0,0|0,0,1]=2 168 B9R0.7 C[S+](C)CCC(C(=O)O)N L354322 [0,1,0,0,0,0|0,0,1]=2 169 B9R0.7 C[S+](C)CCC(C(=O)O)N S161187 [0,1,0,0,0,0|0,0,1]=2 170 B9R0.8 CCCCC(C(=O)OC)Br M111380 [0,1,0,0,0,0|2,0,0]=3 171 B9R0.8 CCCCC(C(=O)OC)N D134849 [0,1,0,0,0,0|1,0,0]=2 172 B9R0.8 COC(=O)C(CCCBr)Br M184869 [0,1,0,0,0,0|3,0,0]=4 173 B9R0.8 COC(=O)C(CCCN)N O116997 [0,1,0,0,0,0|2,0,0]=3 174 B9R0.8 COC(=O)C(CCSC)N M109222 [0,1,0,0,0,0|0,0,0]=1 175 B9R0.8 COC(=O)C(CCSC)N M587493 [0,1,0,0,0,0|0,0,0]=1 176 B9R0.13 CCCCC(CC)C(=O)Cl E139249 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.13 CCCCC(CC)C(=O)O E103541 [0,1,0,0,0,0|2,0,0]=3 178 B9R0.13 CCCCC(CC)C(=O)O E103542 [0,1,0,0,0,0|2,0,0]=3 179 B9R0.13 CCCCC(CC)C(=O)O E103543 [0,1,0,0,0,0|2,0,0]=3 180 B9R0.13 CCCCC(CC)C(=O)O M282652 [0,1,0,0,0,0|2,0,0]=3 181 B9R0.13 CCCCC(CC)C(=O)[O-] B133552 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.13 CCCCC(CC)C(=O)[O-] C189027 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.13 CCCCC(CC)C(=O)[O-] C282475 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.13 CCCCC(CC)C(=O)[O-] C303493 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.13 CCCCC(CC)C(=O)[O-] C304535 [0,1,0,0,0,0|2,0,1]=4 186 B9R0.13 CCCCC(CC)C(=O)[O-] C419796 [0,1,0,0,0,0|2,0,1]=4 187 B9R0.13 CCCCC(CC)C(=O)[O-] C472850 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.13 CCCCC(CC)C(=O)[O-] I304503 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.13 CCCCC(CC)C(=O)[O-] L283256 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.13 CCCCC(CC)C(=O)[O-] L283537 [0,1,0,0,0,0|2,0,1]=4 191 B9R0.13 CCCCC(CC)C(=O)[O-] M283339 [0,1,0,0,0,0|2,0,1]=4 192 B9R0.13 CCCCC(CC)C(=O)[O-] N283360 [0,1,0,0,0,0|2,0,1]=4 193 B9R0.13 CCCCC(CC)C(=O)[O-] P160178 [0,1,0,0,0,0|2,0,1]=4 194 B9R0.13 CCCCC(CC)C(=O)[O-] S133057 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.13 CCCCC(CC)C(=O)[O-] S282573 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.13 CCCCC(CC)C(=O)[O-] T100108 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.13 CCCCC(CC)C(=O)[O-] T333163 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.13 CCCCC(CC)C(=O)[O-] Z282550 [0,1,0,0,0,0|2,0,1]=4 199 B9R0.13 CCCCC(CC)C(=O)[O-] Z283372 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,1,0,0,0,0|0,1,1]=3 201 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,1,0,0,0,0|0,1,1]=3 202 B9R0.47 C#CCSCC(C(=O)O)N R183709 [0,1,0,0,0,0|1,0,1]=3 203 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,1,0,0,0,0|1,0,0]=2 204 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,1,0,0,0,0|1,0,0]=2 205 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,1,0,0,0,0|1,0,0]=2 206 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,1,0,0,0,0|1,0,0]=2 207 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,1,0,0,0,0|1,0,0]=2 208 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,1,0,0,0,0|1,0,0]=2 209 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,1,0,0,0,0|1,0,0]=2 210 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,1,0,0,0,0|1,0,0]=2 211 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,1,0,0,0,0|1,0,0]=2 212 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,1,0,0,0,0|1,0,0]=2 213 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,1,0,0,0,0|1,0,0]=2 214 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,1,0,0,0,0|1,0,0]=2 215 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,1,0,0,0,0|1,0,0]=2 216 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,1,0,0,0,0|1,0,0]=2 217 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,1,0,0,0,0|1,0,0]=2 218 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,1,0,0,0,0|1,0,0]=2 219 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,1,0,0,0,0|1,0,0]=2 220 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,1,0,0,0,0|1,0,0]=2 221 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,1,0,0,0,0|1,0,0]=2 222 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,1,0,0,0,0|1,0,0]=2 223 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,1,0,0,0,0|1,0,0]=2 224 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,1,0,0,0,0|1,0,0]=2 225 B9R0.47 C(CN=[N+]=[N-])C(C(=O)O)N L287058 [0,1,0,0,0,0|2,0,0]=3 226 B9R0.47 C(CSCC(C(=O)O)N)N S170219 [0,1,0,0,0,0|2,0,0]=3 227 B9R0.47 C=CCSCC(C(=O)O)N I137523 [0,1,0,0,0,0|1,0,1]=3 228 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,0,0,0,0|1,0,0]=2 229 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,0,0,0,0|1,0,0]=2 230 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,0,0,0,0|2,0,0]=3 231 B9R0.47 CCSCCC(C(=O)O)N E117217 [0,1,0,0,0,0|0,0,0]=1 232 B9R0.47 CCSCCC(C(=O)O)N E117218 [0,1,0,0,0,0|0,0,0]=1 233 B9R0.51 CCCCC(C)(C)C(=O)O D154699 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,0,0,1,0,0|3,0,0]=4 235 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,0,0,1,0,0|2,0,0]=3 236 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,0,0,1,0,0|2,0,0]=3 237 B9R1.6 C1CC(CC=C1)C(=O)O C102409 [0,0,0,1,0,0|2,0,1]=4 238 B9R1.6 C1CC(CC=C1)C(=O)O R176823 [0,0,0,1,0,0|2,0,1]=4 239 B9R1.6 C1CC(CC=C1)C(=O)O S161048 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,0,1,0,0|3,0,0]=4 241 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,0,1,0,0|3,0,0]=4 242 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,0,1,0,0|3,0,0]=4 243 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,0,1,0,0|3,0,0]=4 244 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [0,0,0,1,0,0|2,0,1]=4 245 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [0,0,0,1,0,0|3,0,0]=4 246 B9R1.6 C1CCC(CC1)C(=O)N C131942 [0,0,0,1,0,0|3,0,0]=4 247 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,0,1,0,0|2,0,0]=3 248 B9R1.6 C1CCNC(C1)C(=O)N P160119 [0,0,0,1,0,0|2,0,0]=3 249 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,0,1,0,0|1,0,0]=2 250 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,0,1,0,0|1,0,0]=2 251 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,0,1,0,0|1,0,0]=2 252 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,0,1,0,0|1,0,0]=2 253 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,0,1,0,0|1,0,0]=2 254 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,0,1,0,0|1,0,0]=2 255 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,0,1,0,0|1,0,0]=2 256 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,0,1,0,0|1,0,0]=2 257 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,0,1,0,0|2,0,0]=3 258 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,0,1,0,0|2,0,0]=3 259 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,0,1,0,0|2,0,0]=3 260 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,0,1,0,0|2,0,0]=3 261 B9R1.6 C1CNCCC1C(=O)N P122896 [0,0,0,1,0,0|3,0,0]=4 262 B9R1.6 C1CNCCC1C(=O)O I109586 [0,0,0,1,0,0|2,0,0]=3 263 B9R1.6 C1COC(CO1)C(=O)O D187857 [0,0,0,1,0,0|3,0,0]=4 264 B9R1.6 C1COC(CO1)C(=O)O S587772 [0,0,0,1,0,0|3,0,0]=4 265 B9R1.6 C1COCC(N1)C(=O)O M194498 [0,0,0,1,0,0|2,0,0]=3 266 B9R1.6 C1COCCC1C(=O)Cl T170160 [0,0,0,1,0,0|2,1,0]=4 267 B9R1.6 C1COCCC1C(=O)O T161847 [0,0,0,1,0,0|1,1,0]=3 268 B9R1.6 C1CSCCC1C(=O)O T178063 [0,0,0,1,0,0|1,0,0]=2 269 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,0,0,1,0,0|3,0,0]=4 270 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [0,0,0,1,0,0|3,0,0]=4 271 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,0,0,1,0,0|3,0,0]=4 272 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [0,0,0,1,0,0|2,0,0]=3 273 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [0,0,0,1,0,0|2,0,0]=3 274 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [0,0,0,1,0,0|2,0,0]=3 275 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [0,0,0,1,0,0|2,0,0]=3 276 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [0,0,0,1,0,0|2,0,0]=3 277 B9R1.35 C1CC(=O)NC1C(=O)[O-] L303332 [0,0,0,1,0,0|2,0,1]=4 278 B9R1.35 C1CC(=O)NC1C(=O)[O-] S300331 [0,0,0,1,0,0|2,0,1]=4 279 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,1,0,0|3,0,0]=4 280 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,1,0,0|3,0,0]=4 281 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,1,0,0|3,0,0]=4 282 B9R1.35 C1CC(CC1C(=O)O)N A187884 [0,0,0,1,0,0|3,0,0]=4 283 B9R1.35 C1CC(CC1C(=O)O)O H586133 [0,0,0,1,0,0|3,0,0]=4 284 B9R1.69 C1CC(=O)NC(=O)C1N A175882 [0,0,0,1,0,0|3,0,0]=4 285 B9R1.69 C1CC(=O)NC(=O)C1N A303287 [0,0,0,1,0,0|3,0,0]=4 286 B9R1.69 C1CC(=O)NC(=O)C1N A588312 [0,0,0,1,0,0|3,0,0]=4 287 B9R1.69 C1CC(=O)NC(=O)C1N S588414 [0,0,0,1,0,0|3,0,0]=4 288 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,0,0,1,0,0|3,0,0]=4 289 B9R1.112 C1CC1CC(C(=O)O)N C117163 [0,0,0,1,0,0|1,0,0]=2 290 B9R1.112 C1CC1CC(C(=O)O)N C117208 [0,0,0,1,0,0|1,0,0]=2 291 B9R1.163 C1CCC(C1)(C(=O)N)N A182057 [0,0,0,1,0,0|2,0,0]=3 292 B9R1.163 C1CCC(C1)(C(=O)O)N A151472 [0,0,0,1,0,0|1,0,0]=2 293 B9R1.163 C1CCC(C1)(C(=O)O)O H181982 [0,0,0,1,0,0|2,0,0]=3 294 B9R1.163 CC1(CCCN1)C(=O)O A151336 [0,0,0,1,0,0|3,0,0]=4 295 B9R1.163 CC1(CCCN1)C(=O)O M535955 [0,0,0,1,0,0|3,0,0]=4 296 B9R1.163 CC1(CCCN1)C(=O)O R589748 [0,0,0,1,0,0|3,0,0]=4 297 B9R1.163 CC1(CCCN1)C(=O)O S174369 [0,0,0,1,0,0|3,0,0]=4 298 B9R0.4 CCCCC(CC(=O)O)N A165644 [0,0,0,0,0,1|1,0,0]=2 299 B6R0.1 CCCC(C)C=O M158691 [2,0,0,0,0,0|1,0,0]=3 300 B6R0.1 CCCC(C)CO M113625 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.1 CCCC(C=C)O H157268 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.1 CCCC(CO)N D333561 [2,0,0,0,0,0|0,0,1]=3 303 B6R0.1 CCCC(CO)N I168777 [2,0,0,0,0,0|0,0,1]=3 304 B6R0.1 CCCC(CO)O P108068 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.4 B(CCCC)(O)O B101013 [2,0,0,0,0,0|1,0,1]=4 306 B6R0.4 C#CCCC(=O)O P133515 [2,0,0,0,0,0|0,0,2]=4 307 B6R0.4 C(CC(=O)Cl)CBr B102197 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 C(CC(=O)Cl)CCl C109449 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.4 C(CC(=O)O)C#N C191241 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|1,0,0]=3 312 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|1,0,0]=3 313 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|1,0,0]=3 314 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|1,0,0]=3 315 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.4 C(CN)C[P+](=O)O A275461 [2,0,0,0,0,0|2,0,0]=4 320 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|0,0,2]=4 321 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|2,0,0]=4 322 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|2,0,0]=4 323 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|1,0,0]=3 324 B6R0.4 CC(=O)NCCS N347842 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|0,0,2]=4 326 B6R0.4 CCC#CC(=O)O P137286 [2,0,0,0,0,0|0,0,2]=4 327 B6R0.4 CCC=CC(=O)O T162309 [2,0,0,0,0,0|0,0,2]=4 328 B6R0.4 CCCCC(=N)N D305243 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,0]=3 330 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|1,0,0]=3 331 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|1,0,0]=3 332 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|1,0,0]=3 334 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|0,0,0]=2 337 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|0,0,0]=2 338 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|0,0,0]=2 339 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|0,0,0]=2 340 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|0,0,0]=2 341 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|0,0,1]=3 342 B6R0.4 CCCCC(C)N B301374 [2,0,0,0,0,0|1,0,1]=4 343 B6R0.4 CCCCC(C)O H105565 [2,0,0,0,0,0|1,0,1]=4 344 B6R0.4 CCCCC(C)O I170762 [2,0,0,0,0,0|1,0,1]=4 345 B6R0.4 CCCCC(C)O R588494 [2,0,0,0,0,0|1,0,1]=4 346 B6R0.4 CCCC[N+](=O)[O-] N300420 [2,0,0,0,0,0|1,0,1]=4 347 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.4 CCCNC(=O)N P589707 [2,0,0,0,0,0|2,0,0]=4 349 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|2,0,0]=4 350 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|2,0,0]=4 351 B6R0.4 CCCOC(=O)N P194271 [2,0,0,0,0,0|2,0,0]=4 352 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|2,0,0]=4 353 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|1,0,0]=3 354 B6R0.4 CCOCC(=O)Cl E293992 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|1,0,0]=3 356 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|1,0,0]=3 357 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|1,0,0]=3 358 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|0,1,0]=3 359 B6R0.4 CSCCC(=O)Cl M158416 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|0,0,0]=2 361 B6R0.6 C(CC=O)CC=O G105905 [2,0,0,0,0,0|2,0,0]=4 362 B6R0.6 C(CC=O)CC=O G105906 [2,0,0,0,0,0|2,0,0]=4 363 B6R0.6 C(CC=O)CC=O G105907 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.6 C(CC=O)CC=O G105908 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.6 C(CC=O)CC=O G359127 [2,0,0,0,0,0|2,0,0]=4 366 B6R0.6 C(CC=O)CC=O G598815 [2,0,0,0,0,0|2,0,0]=4 367 B6R0.6 C(CC=O)CC=O G639768 [2,0,0,0,0,0|2,0,0]=4 368 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|2,0,0]=4 369 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|2,0,0]=4 370 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|2,0,0]=4 371 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|1,0,0]=3 372 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|1,0,0]=3 373 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|1,0,1]=4 374 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|1,0,1]=4 375 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|1,0,1]=4 376 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|1,0,1]=4 377 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|1,0,1]=4 378 B6R0.6 CCCCCSC A151354 [2,0,0,0,0,0|1,0,1]=4 379 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|2,0,0]=4 380 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|2,0,0]=4 381 B6R0.6 CNCCCCO M193351 [2,0,0,0,0,0|1,0,1]=4 382 B6R0.6 COCCCCO B152046 [2,0,0,0,0,0|0,1,1]=4 383 B6R0.6 CSCCCCO M468928 [2,0,0,0,0,0|0,0,1]=3 384 B6R0.3 C(C(C(=O)N)N)O S134102 [2,0,0,0,0,0|1,1,0]=4 385 B6R0.3 C(C(C(=O)O)Br)Br D155446 [2,0,0,0,0,0|2,0,0]=4 386 B6R0.3 C(C(C(=O)O)N)Cl C153754 [2,0,0,0,0,0|1,0,0]=3 387 B6R0.3 C(C(C(=O)O)N)Cl C341469 [2,0,0,0,0,0|1,0,0]=3 388 B6R0.3 C(C(C(=O)O)N)N D102444 [2,0,0,0,0,0|1,0,0]=3 389 B6R0.3 C(C(C(=O)O)N)N D102445 [2,0,0,0,0,0|1,0,0]=3 390 B6R0.3 C(C(C(=O)O)N)N O105987 [2,0,0,0,0,0|1,0,0]=3 391 B6R0.3 C(C(C(=O)O)N)N S161147 [2,0,0,0,0,0|1,0,0]=3 392 B6R0.3 C(C(C(=O)O)N)O D423121 [2,0,0,0,0,0|0,1,0]=3 393 B6R0.3 C(C(C(=O)O)N)O D423225 [2,0,0,0,0,0|0,1,0]=3 394 B6R0.3 C(C(C(=O)O)N)O L424779 [2,0,0,0,0,0|0,1,0]=3 395 B6R0.3 C(C(C(=O)O)N)O L476400 [2,0,0,0,0,0|0,1,0]=3 396 B6R0.3 C(C(C(=O)O)N)O S103483 [2,0,0,0,0,0|0,1,0]=3 397 B6R0.3 C(C(C(=O)O)N)O S105977 [2,0,0,0,0,0|0,1,0]=3 398 B6R0.3 C(C(C(=O)O)N)O S108219 [2,0,0,0,0,0|0,1,0]=3 399 B6R0.3 C(C(C(=O)O)N)O S118658 [2,0,0,0,0,0|0,1,0]=3 400 B6R0.3 C(C(C(=O)O)N)O S137887 [2,0,0,0,0,0|0,1,0]=3 401 B6R0.3 C(C(C(=O)O)N)O S137888 [2,0,0,0,0,0|0,1,0]=3 402 B6R0.3 C(C(C(=O)O)N)O S432938 [2,0,0,0,0,0|0,1,0]=3 403 B6R0.3 C(C(C(=O)O)N)S C108237 [2,0,0,0,0,0|0,0,0]=2 404 B6R0.3 C(C(C(=O)O)N)S C108238 [2,0,0,0,0,0|0,0,0]=2 405 B6R0.3 C(C(C(=O)O)N)S C110184 [2,0,0,0,0,0|0,0,0]=2 406 B6R0.3 C(C(C(=O)O)N)S C110436 [2,0,0,0,0,0|0,0,0]=2 407 B6R0.3 C(C(C(=O)O)N)S C110437 [2,0,0,0,0,0|0,0,0]=2 408 B6R0.3 C(C(C(=O)O)N)S C113143 [2,0,0,0,0,0|0,0,0]=2 409 B6R0.3 C(C(C(=O)O)N)S C118575 [2,0,0,0,0,0|0,0,0]=2 410 B6R0.3 C(C(C(=O)O)N)S D304972 [2,0,0,0,0,0|0,0,0]=2 411 B6R0.3 C(C(C(=O)O)N)S L424532 [2,0,0,0,0,0|0,0,0]=2 412 B6R0.3 C(C(C(=O)O)N)S L424534 [2,0,0,0,0,0|0,0,0]=2 413 B6R0.3 C(C(C(=O)O)N)S L432833 [2,0,0,0,0,0|0,0,0]=2 414 B6R0.3 C(C(C(=O)O)N)S S161428 [2,0,0,0,0,0|0,0,0]=2 415 B6R0.3 C(C(C(=O)O)N)S S588042 [2,0,0,0,0,0|0,0,0]=2 416 B6R0.3 C(C(C(=O)O)O)N I123583 [2,0,0,0,0,0|2,0,0]=4 417 B6R0.3 C(C(C(=O)O)O)N S137278 [2,0,0,0,0,0|2,0,0]=4 418 B6R0.3 C(C(C(=O)O)O)O D278734 [2,0,0,0,0,0|1,1,0]=4 419 B6R0.3 CC(C(=O)O)NC I133832 [2,0,0,0,0,0|2,0,0]=4 420 B6R0.3 CC(C(=O)O)NC I135858 [2,0,0,0,0,0|2,0,0]=4 421 B6R0.3 CC(C(=O)O)NC N303350 [2,0,0,0,0,0|2,0,0]=4 422 B6R0.3 CC(C(=O)O)OC M193402 [2,0,0,0,0,0|1,1,0]=4 423 B6R0.3 CC(C(=O)O)OC P477810 [2,0,0,0,0,0|1,1,0]=4 424 B6R0.3 CC(CBr)C(=O)O B135992 [2,0,0,0,0,0|2,0,0]=4 425 B6R0.3 CC(CN)C(=O)O D131745 [2,0,0,0,0,0|2,0,0]=4 426 B6R0.3 CC(CN)C(=O)O R340811 [2,0,0,0,0,0|2,0,0]=4 427 B6R0.3 CC(CN)C(=O)O S340803 [2,0,0,0,0,0|2,0,0]=4 428 B6R0.3 CC(CO)C(=O)O R343446 [2,0,0,0,0,0|1,1,0]=4 429 B6R0.3 CC(CS)C(=O)O M158216 [2,0,0,0,0,0|1,0,0]=3 430 B6R0.3 CCC(=C)C(=O)O E477290 [2,0,0,0,0,0|1,0,1]=4 431 B6R0.3 CCC(=O)C(=O)O K106253 [2,0,0,0,0,0|1,0,1]=4 432 B6R0.3 CCC(C(=O)Br)Br B135808 [2,0,0,0,0,0|2,0,0]=4 433 B6R0.3 CCC(C(=O)C)S M102973 [2,0,0,0,0,0|2,0,0]=4 434 B6R0.3 CCC(C(=O)Cl)Br B192121 [2,0,0,0,0,0|2,0,0]=4 435 B6R0.3 CCC(C(=O)Cl)Cl C139250 [2,0,0,0,0,0|2,0,0]=4 436 B6R0.3 CCC(C(=O)N)Cl B301389 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.3 CCC(C(=O)N)N A119770 [2,0,0,0,0,0|1,0,0]=3 438 B6R0.3 CCC(C(=O)N)N A124384 [2,0,0,0,0,0|1,0,0]=3 439 B6R0.3 CCC(C(=O)O)Br B108037 [2,0,0,0,0,0|1,0,0]=3 440 B6R0.3 CCC(C(=O)O)Cl C153465 [2,0,0,0,0,0|1,0,0]=3 441 B6R0.3 CCC(C(=O)O)Cl S161173 [2,0,0,0,0,0|1,0,0]=3 442 B6R0.3 CCC(C(=O)O)N A109788 [2,0,0,0,0,0|0,0,0]=2 443 B6R0.3 CCC(C(=O)O)N A111241 [2,0,0,0,0,0|0,0,0]=2 444 B6R0.3 CCC(C(=O)O)N A111260 [2,0,0,0,0,0|0,0,0]=2 445 B6R0.3 CCC(C(=O)O)N A414642 [2,0,0,0,0,0|0,0,0]=2 446 B6R0.3 CCC(C(=O)O)N D422924 [2,0,0,0,0,0|0,0,0]=2 447 B6R0.3 CCC(C(=O)O)O D298806 [2,0,0,0,0,0|1,0,0]=3 448 B6R0.3 CCC(C(=O)O)O S192800 [2,0,0,0,0,0|1,0,0]=3 449 B6R0.3 CCC(C(=O)[O-])O H101414 [2,0,0,0,0,0|1,0,1]=4 450 B6R0.3 CCC(C)C(=O)C M158800 [2,0,0,0,0,0|2,0,0]=4 451 B6R0.3 CCC(C)C(=O)O I167890 [2,0,0,0,0,0|1,0,0]=3 452 B6R0.3 CCC(C)C(=O)O M107377 [2,0,0,0,0,0|1,0,0]=3 453 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [2,0,0,0,0,0|0,1,0]=3 454 B8R0.11 CCCCC(CC)C=O E156034 [1,1,0,0,0,0|2,0,0]=4 455 B8R0.5 C#CCC(CC(=O)O)N I169630 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.7 C#CCCCCC(=O)O H107741 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [1,1,0,0,0,0|2,0,0]=4 458 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [1,1,0,0,0,0|2,0,0]=4 459 B8R0.7 C(CCC(=O)N)CCBr B185341 [1,1,0,0,0,0|2,0,0]=4 460 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,1,0,0,0,0|1,0,0]=3 461 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,1,0,0,0,0|1,0,0]=3 462 B8R0.7 C(CCC(=O)O)CCN A306000 [1,1,0,0,0,0|1,0,0]=3 463 B8R0.7 C(CCC(=O)O)CCN A433060 [1,1,0,0,0,0|1,0,0]=3 464 B8R0.7 C(CCC(=O)O)CCO H302536 [1,1,0,0,0,0|1,0,0]=3 465 B8R0.7 C(CCC(=O)O)CCS M292991 [1,1,0,0,0,0|1,0,0]=3 466 B8R0.7 C(CCC(=O)O)CCS M345400 [1,1,0,0,0,0|1,0,0]=3 467 B8R0.7 C(CCC(=O)[O-])CCO P192074 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.7 C(CN)CNCC(=O)O N159195 [1,1,0,0,0,0|2,0,0]=4 469 B8R0.7 C(CNCC(=O)O)C#N N159829 [1,1,0,0,0,0|2,0,0]=4 470 B8R0.7 C(COCCN)C(=O)O A412738 [1,1,0,0,0,0|2,0,0]=4 471 B8R0.7 C=CCOCCC(=O)O A151450 [1,1,0,0,0,0|1,0,1]=4 472 B8R0.7 CC(=O)OCCCSC M157982 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.7 CCCC=CCC(=O)O H303362 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.7 CCCCC#CC(=O)O H157081 [1,1,0,0,0,0|1,0,1]=4 475 B8R0.7 CCCCC=CC(=O)O H305279 [1,1,0,0,0,0|1,0,1]=4 476 B8R0.7 CCCCCCC(=O)C O111186 [1,1,0,0,0,0|2,0,0]=4 477 B8R0.7 CCCCCCC(=O)C O111187 [1,1,0,0,0,0|2,0,0]=4 478 B8R0.7 CCCCCCC(=O)Cl H102418 [1,1,0,0,0,0|2,0,0]=4 479 B8R0.7 CCCCCCC(=O)O H103518 [1,1,0,0,0,0|1,0,0]=3 480 B8R0.7 CCCCCCC(=O)O H103519 [1,1,0,0,0,0|1,0,0]=3 481 B8R0.7 CCCCCCC(=O)O H103520 [1,1,0,0,0,0|1,0,0]=3 482 B8R0.7 CCCCCCC(=O)O H431469 [1,1,0,0,0,0|1,0,0]=3 483 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|2,0,0]=4 485 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|2,0,0]=4 486 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|2,0,0]=4 487 B8R0.7 CCCCCOC(=O)Cl A139129 [1,1,0,0,0,0|2,0,0]=4 488 B8R0.7 CCCCOCC(=O)O B152317 [1,1,0,0,0,0|1,0,0]=3 489 B8R0.7 COCCOCC(=O)O M138320 [1,1,0,0,0,0|0,1,0]=3 490 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [1,1,0,0,0,0|2,0,0]=4 491 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [1,1,0,0,0,0|2,0,0]=4 492 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [1,1,0,0,0,0|2,0,0]=4 493 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [1,1,0,0,0,0|2,0,0]=4 494 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,1,0,0,0,0|1,0,0]=3 495 B8R0.28 CC(=O)NCCC(=O)O N133308 [1,1,0,0,0,0|2,0,0]=4 496 B8R0.28 CC(=O)SCCC(=O)O A136318 [1,1,0,0,0,0|2,0,0]=4 497 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|2,0,0]=4 498 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|1,0,0]=3 499 B8R0.28 CN(C)CCCC(=O)O D589906 [1,1,0,0,0,0|1,0,0]=3 500 B8R0.28 CN(C)CCCC(=O)O W133561 [1,1,0,0,0,0|1,0,0]=3 501 B8R0.2 CC(C(C(=O)O)N)OC M105982 [1,1,0,0,0,0|0,1,0]=3 502 B8R0.2 CCC(C)C(=O)C(=O)O M158380 [1,1,0,0,0,0|1,0,1]=4 503 B8R0.2 CCC(C)C(C(=O)N)N I110996 [1,1,0,0,0,0|1,0,0]=3 504 B8R0.2 CCC(C)C(C(=O)O)N D465658 [1,1,0,0,0,0|0,0,0]=2 505 B8R0.2 CCC(C)C(C(=O)O)N I103488 [1,1,0,0,0,0|0,0,0]=2 506 B8R0.2 CCC(C)C(C(=O)O)N I105431 [1,1,0,0,0,0|0,0,0]=2 507 B8R0.2 CCC(C)C(C(=O)O)N I113733 [1,1,0,0,0,0|0,0,0]=2 508 B8R0.2 CCC(C)C(C(=O)O)N I113995 [1,1,0,0,0,0|0,0,0]=2 509 B8R0.2 CCC(C)C(C(=O)O)N I115775 [1,1,0,0,0,0|0,0,0]=2 510 B8R0.2 CCC(C)C(C(=O)O)N I117745 [1,1,0,0,0,0|0,0,0]=2 511 B8R0.2 CCC(C)C(C(=O)O)N L425728 [1,1,0,0,0,0|0,0,0]=2 512 B8R0.2 CCC(C)C(C(=O)O)O H351180 [1,1,0,0,0,0|1,0,0]=3 513 B8R0.12 CC(CC=C)(C(=O)O)N R465192 [1,1,0,0,0,0|0,0,2]=4 514 B8R0.12 CCCC(C)(C)C(=O)O D154848 [1,1,0,0,0,0|1,0,0]=3 515 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [1,1,0,0,0,0|0,1,1]=4 516 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [1,1,0,0,0,0|0,1,1]=4 517 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [1,1,0,0,0,0|0,1,1]=4 518 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [1,1,0,0,0,0|0,1,1]=4 519 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [1,1,0,0,0,0|0,1,1]=4 520 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [1,1,0,0,0,0|0,1,1]=4 521 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [1,1,0,0,0,0|0,1,1]=4 522 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [1,1,0,0,0,0|0,1,1]=4 523 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [1,1,0,0,0,0|0,1,1]=4 524 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [1,1,0,0,0,0|0,1,1]=4 525 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [1,1,0,0,0,0|0,1,1]=4 526 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [1,1,0,0,0,0|0,1,1]=4 527 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [1,1,0,0,0,0|0,1,1]=4 528 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [1,1,0,0,0,0|0,1,1]=4 529 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [1,1,0,0,0,0|0,1,1]=4 530 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [1,1,0,0,0,0|0,1,1]=4 531 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [1,1,0,0,0,0|0,1,1]=4 532 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [1,1,0,0,0,0|0,1,1]=4 533 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [1,1,0,0,0,0|0,1,1]=4 534 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [1,1,0,0,0,0|0,1,1]=4 535 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [1,1,0,0,0,0|0,1,1]=4 536 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [1,1,0,0,0,0|0,1,1]=4 537 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [1,1,0,0,0,0|0,1,1]=4 538 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [1,1,0,0,0,0|0,1,1]=4 539 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [1,1,0,0,0,0|0,1,1]=4 540 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [1,1,0,0,0,0|0,1,1]=4 541 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [1,1,0,0,0,0|0,1,1]=4 542 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [1,1,0,0,0,0|1,0,1]=4 543 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [1,1,0,0,0,0|1,0,1]=4 544 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [1,1,0,0,0,0|1,0,1]=4 545 B8R0.23 CC(C)CC(C(=O)N)N H299483 [1,1,0,0,0,0|1,0,0]=3 546 B8R0.23 CC(C)CC(C(=O)N)N S161269 [1,1,0,0,0,0|1,0,0]=3 547 B8R0.23 CC(C)CC(C(=O)N)N S165636 [1,1,0,0,0,0|1,0,0]=3 548 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [1,1,0,0,0,0|1,0,0]=3 550 B8R0.23 CC(C)CC(C(=O)O)N L100046 [1,1,0,0,0,0|0,0,0]=2 551 B8R0.23 CC(C)CC(C(=O)O)N L104898 [1,1,0,0,0,0|0,0,0]=2 552 B8R0.23 CC(C)CC(C(=O)O)N L110997 [1,1,0,0,0,0|0,0,0]=2 553 B8R0.23 CC(C)CC(C(=O)O)N L117742 [1,1,0,0,0,0|0,0,0]=2 554 B8R0.23 CC(C)CC(C(=O)O)N L425126 [1,1,0,0,0,0|0,0,0]=2 555 B8R0.23 CC(C)CC(C(=O)O)N L433130 [1,1,0,0,0,0|0,0,0]=2 556 B8R0.23 CC(C)CC(C(=O)O)O L421425 [1,1,0,0,0,0|1,0,0]=3 557 B8R0.23 CC(C)CC(C(=O)O)O R182597 [1,1,0,0,0,0|1,0,0]=3 558 B8R0.23 CC(C)CC(C(=O)O)O S161033 [1,1,0,0,0,0|1,0,0]=3 559 B8R0.23 CC(C)CC(C(=O)O)O S161215 [1,1,0,0,0,0|1,0,0]=3 560 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [1,1,0,0,0,0|1,0,1]=4 561 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [1,1,0,0,0,0|0,0,1]=3 562 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,1,0,0,0,1|1,0,0]=3 563 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,1,0,0,0,1|2,0,0]=4 564 B10R0.96 C(CC(=O)O)C(CC(=O)O)N H117048 [0,1,0,0,0,1|2,0,0]=4 565 B10R0.57 COC(=O)C(CCC(=O)O)N G116980 [0,2,0,0,0,0|2,0,0]=4 566 B10R0.82 C(CC(=O)NO)C(C(=O)O)N L302676 [0,2,0,0,0,0|2,0,0]=4 567 B10R0.82 C(CC(C(=O)O)N)C(CN)O H112850 [0,2,0,0,0,0|1,0,0]=3 568 B10R0.82 COC(=O)CCC(C(=O)N)N S588448 [0,2,0,0,0,0|1,1,0]=4 569 B10R0.82 COC(=O)CCC(C(=O)O)N D351855 [0,2,0,0,0,0|0,1,0]=3 570 B10R0.82 COC(=O)CCC(C(=O)O)N G116984 [0,2,0,0,0,0|0,1,0]=3 571 B10R0.82 COC(=O)CCC(C(=O)O)N H194380 [0,2,0,0,0,0|0,1,0]=3 572 B10R0.84 CNC(CCC(=O)O)C(=O)O B301363 [0,2,0,0,0,0|2,0,0]=4 573 B10R0.84 CNC(CCC(=O)O)C(=O)O M140199 [0,2,0,0,0,0|2,0,0]=4 574 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N D287137 [0,2,0,0,0,0|2,0,0]=4 575 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N L274683 [0,2,0,0,0,0|2,0,0]=4 576 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N x168370 [0,2,0,0,0,0|2,0,0]=4 577 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N L486721 [0,2,0,0,0,0|1,0,1]=4 578 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N S135161 [0,2,0,0,0,0|1,0,1]=4 579 B10R0.92 CC(C)(C)OCC(C(=O)O)N B117003 [0,2,0,0,0,0|2,0,0]=4 580 B10R0.92 CC(C)(C)SCC(C(=O)O)N B116975 [0,2,0,0,0,0|2,0,0]=4 581 B10R0.92 CP(=O)(CCC(C(=O)O)N)O G114499 [0,2,0,0,0,0|1,0,0]=3 582 B10R0.92 CS(=N)(=O)CCC(C(=O)O)N M111096 [0,2,0,0,0,0|0,0,1]=3 583 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N L487257 [0,2,0,0,0,0|0,0,1]=3 584 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N S161196 [0,2,0,0,0,0|0,0,1]=3 585 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)O R465245 [0,2,0,0,0,0|2,0,0]=4 586 B10R0.93 CC(CC(C(=O)O)N)C(=O)O S288041 [0,2,0,0,0,0|2,0,0]=4 587 B10R0.19 CCCCC(C(=O)OCC)Br E117976 [0,2,0,0,0,0|2,0,0]=4 588 B10R0.19 CCOC(=O)C(CCSC)N S169307 [0,2,0,0,0,0|0,0,0]=2 589 B10R0.46 COC(=O)CC(C(=O)OC)N A109002 [0,2,0,0,0,0|0,1,1]=4 590 B10R0.46 COC(=O)CC(C(=O)OC)N H194638 [0,2,0,0,0,0|0,1,1]=4 591 B10R0.83 CCCCCC(C(=O)NC)N P303210 [0,2,0,0,0,0|2,0,0]=4 592 B10R0.83 COC(=O)C(CCCCN)N D404620 [0,2,0,0,0,0|1,0,0]=3 593 B10R0.83 COC(=O)C(CCCCN)N L100451 [0,2,0,0,0,0|1,0,0]=3 594 B10R0.83 COC(=O)C(CCCCN)N S134411 [0,2,0,0,0,0|1,0,0]=3 595 B10R0.17 CCCCC(C(=O)O)C(=O)O B152310 [0,2,0,0,0,0|2,0,0]=4 596 B10R0.88 CCCCC(C(=O)O)NC=O F339094 [0,2,0,0,0,0|1,0,0]=3 597 B10R0.88 CSCCC(C(=O)O)NC=O F115810 [0,2,0,0,0,0|0,0,0]=2 598 B10R0.88 CSCCC(C(=O)O)NC=O N423940 [0,2,0,0,0,0|0,0,0]=2 599 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110692 [0,2,0,0,0,0|1,0,1]=4 600 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110693 [0,2,0,0,0,0|1,0,1]=4 601 B10R0.75 C(CO)CSCC(C(=O)O)N F129236 [0,2,0,0,0,0|1,0,0]=3 602 B10R0.75 C(CO)CSCC(C(=O)O)N F421233 [0,2,0,0,0,0|1,0,0]=3 603 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,2,0,0,0,0|2,0,0]=4 604 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,2,0,0,0,0|1,0,0]=3 605 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,2,0,0,0,0|1,0,0]=3 606 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,2,0,0,0,0|2,0,0]=4 607 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S161422 [0,2,0,0,0,0|2,0,0]=4 608 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S303159 [0,2,0,0,0,0|2,0,0]=4 609 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A100535 [0,2,0,0,0,0|1,0,1]=4 610 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117161 [0,2,0,0,0,0|1,0,1]=4 611 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117210 [0,2,0,0,0,0|1,0,1]=4 612 B10R0.98 CC(=O)OCCC(C(=O)O)N O351769 [0,2,0,0,0,0|0,1,0]=3 613 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|2,0,0]=4 614 B8R1.2 C1CCNC(C1)CO P124723 [1,0,0,1,0,0|1,0,1]=4 615 B8R1.2 C1COCCC1C=O F184847 [1,0,0,1,0,0|1,1,0]=4 616 B8R1.5 C1CC(C(=O)NC1)N A121540 [1,0,0,1,0,0|2,0,0]=4 617 B8R1.5 C1CC(C(=O)NC1)N A121541 [1,0,0,1,0,0|2,0,0]=4 618 B8R1.5 C1CC(C(=O)NC1)N A181382 [1,0,0,1,0,0|2,0,0]=4 619 B8R1.5 C1CC(C(=O)NC1)N I170302 [1,0,0,1,0,0|2,0,0]=4 620 B8R1.5 C1CCC(=O)C(C1)Br B131549 [1,0,0,1,0,0|2,0,0]=4 621 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [1,0,0,1,0,0|2,0,0]=4 622 B8R1.5 C1CCC(=O)C(C1)O H133366 [1,0,0,1,0,0|2,0,0]=4 623 B8R1.5 C1CCC(C(C1)N)O A135671 [1,0,0,1,0,0|1,0,1]=4 624 B8R1.5 C1CCC(C(C1)N)O C135782 [1,0,0,1,0,0|1,0,1]=4 625 B8R1.5 C1CCC(C(C1)N)O I167007 [1,0,0,1,0,0|1,0,1]=4 626 B8R1.5 C1CCC(C(C1)N)O R195900 [1,0,0,1,0,0|1,0,1]=4 627 B8R1.5 C1CCC(C(C1)N)O S138163 [1,0,0,1,0,0|1,0,1]=4 628 B8R1.5 C1CCC(C(C1)N)O S304528 [1,0,0,1,0,0|1,0,1]=4 629 B8R1.5 C1CCC(C(C1)N)O S587981 [1,0,0,1,0,0|1,0,1]=4 630 B8R1.5 C1CCC(C(C1)N)O T474337 [1,0,0,1,0,0|1,0,1]=4 631 B8R1.5 C1COCC(C1N)O S587531 [1,0,0,1,0,0|0,1,1]=4 632 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|2,0,0]=4 633 B8R1.52 C1CCC(C1)(CO)N A165541 [1,0,0,1,0,0|1,0,1]=4 634 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [1,0,0,1,0,0|2,0,0]=4 635 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [1,0,0,1,0,0|2,0,0]=4 636 B8R1.4 CC1=CC(=O)CCC1 M104499 [1,0,0,1,0,0|2,0,0]=4 637 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|2,0,0]=4 638 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|2,0,0]=4 639 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|1,0,0]=3 640 B8R1.7 C1C(NCS1)C(=O)O T137734 [1,0,0,1,0,0|1,0,0]=3 641 B8R1.7 C1C(NCS1)C(=O)O T303731 [1,0,0,1,0,0|1,0,0]=3 642 B8R1.7 C1C(NCS1)C(=O)O T424020 [1,0,0,1,0,0|1,0,0]=3 643 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,1,0,0|1,0,1]=4 644 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|2,0,0]=4 645 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|2,0,0]=4 646 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|2,0,0]=4 647 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|2,0,0]=4 648 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|2,0,0]=4 649 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|2,0,0]=4 650 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|2,0,0]=4 651 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|2,0,0]=4 652 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,1,0,0|2,0,0]=4 653 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,1,0,0|2,0,0]=4 654 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,1,0,0|2,0,0]=4 655 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [1,0,0,1,0,0|2,0,0]=4 656 B8R1.7 C1CCC(C1)C(=O)N C357646 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,1,0,0|1,0,0]=3 658 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,1,0,0|1,0,0]=3 659 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,1,0,0|1,0,0]=3 660 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,1,0,0|1,0,0]=3 661 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,1,0,0|1,0,0]=3 662 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|0,1,0]=3 663 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|0,1,0]=3 664 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|2,0,0]=4 665 B8R1.23 CN1CC(C1)C(=O)O M177850 [1,0,0,1,0,0|2,0,0]=4 666 B8R1.54 C1CC1C(C(=O)O)N S170587 [1,0,0,1,0,0|0,0,0]=2 667 B8R1.78 C1CC(C1)(C(=O)O)N A102435 [1,0,0,1,0,0|0,0,0]=2 668 B8R1.78 C1CC(C1)(C(=O)O)N A151474 [1,0,0,1,0,0|0,0,0]=2 669 B8R1.78 C1CC(C1)(C(=O)O)O H176443 [1,0,0,1,0,0|1,0,0]=3 670 B8R1.78 CC1(CCC1)C(=O)O M176146 [1,0,0,1,0,0|1,0,0]=3 671 B8R1.78 CC1(COC1)C(=O)O M136535 [1,0,0,1,0,0|1,1,0]=4 672 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,0,0,1,0,1|2,0,0]=4 673 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,0,0,1,0,1|1,0,0]=3 674 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,0,0,1,0,1|1,0,0]=3 675 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,0,0,1,0,1|2,0,0]=4 676 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,0,0,1,0,1|2,0,0]=4 677 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [0,1,0,1,0,0|1,0,0]=3 678 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,1,0,1,0,0|2,0,0]=4 679 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,1,0,1,0,0|2,0,0]=4 680 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,1,0,1,0,0|2,0,0]=4 681 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,1,0,1,0,0|2,0,0]=4 682 B10R1.13 C1CC(CCC1C(=O)O)O C154122 [0,1,0,1,0,0|2,0,0]=4 683 B10R1.13 C1CC(CCC1C(=O)O)O H132286 [0,1,0,1,0,0|2,0,0]=4 684 B10R1.13 C1CC(CCC1C(=O)O)O T161443 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.13 C1CC(NCC1O)C(=O)O S176988 [0,1,0,1,0,0|1,0,0]=3 686 B10R1.13 CC1CCC(CC1)C(=O)O M158294 [0,1,0,1,0,0|2,0,0]=4 687 B10R1.13 CC1CCC(CC1)C(=O)O T472827 [0,1,0,1,0,0|2,0,0]=4 688 B10R1.14 COC(=O)C1CCC(=O)N1 M138905 [0,1,0,1,0,0|2,0,0]=4 689 B10R1.14 COC(=O)C1CCC(=O)N1 M158587 [0,1,0,1,0,0|2,0,0]=4 690 B10R1.14 COC(=O)C1CCC(=O)N1 R194385 [0,1,0,1,0,0|2,0,0]=4 691 B10R1.15 COC(=O)C1CCCCC1 M138876 [0,1,0,1,0,0|2,0,0]=4 692 B10R1.15 COC(=O)C1CCCCN1 H191752 [0,1,0,1,0,0|1,0,0]=3 693 B10R1.15 COC(=O)C1CCCCN1 M169575 [0,1,0,1,0,0|1,0,0]=3 694 B10R1.15 COC(=O)C1CCCCN1 M191753 [0,1,0,1,0,0|1,0,0]=3 695 B10R1.15 COC(=O)C1CCCCN1 M193348 [0,1,0,1,0,0|1,0,0]=3 696 B10R1.15 COC(=O)C1CCCCO1 M590294 [0,1,0,1,0,0|2,0,0]=4 697 B10R1.15 COC(=O)C1CCNCC1 I135762 [0,1,0,1,0,0|2,0,0]=4 698 B10R1.15 COC(=O)C1CCOCC1 M120066 [0,1,0,1,0,0|1,1,0]=4 699 B10R1.15 COC(=O)C1COCCN1 M586858 [0,1,0,1,0,0|2,0,0]=4 700 B10R1.15 COC(=O)C1COCCN1 S587266 [0,1,0,1,0,0|2,0,0]=4 701 B10R1.411 COC(=O)C1(CCCC1)N M139061 [0,1,0,1,0,0|1,0,0]=3 702 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,1,0,1,0,0|2,0,0]=4 703 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,1,0,0|2,0,0]=4 704 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,1,0,0|2,0,0]=4 705 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,1,0,1,0,0|2,0,0]=4 706 B10R1.113 C1CC(NC(=O)C1)C(=O)O O121564 [0,1,0,1,0,0|1,0,1]=4 707 B10R1.113 C1CC(NC(=O)C1)C(=O)O O349934 [0,1,0,1,0,0|1,0,1]=4 708 B10R1.113 CC1=NCCC(N1)C(=O)O E292674 [0,1,0,1,0,0|1,0,0]=3 709 B10R1.113 CC1=NCCC(N1)C(=O)O E305040 [0,1,0,1,0,0|1,0,0]=3 710 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,1,0,1,0,0|2,0,0]=4 711 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,1,0,1,0,0|2,0,0]=4 712 B10R1.113 CC1CCNC(C1)C(=O)O R194886 [0,1,0,1,0,0|1,0,0]=3 713 B10R1.363 C1CCC(CC1)(C(=O)O)N A101237 [0,1,0,1,0,0|1,0,0]=3 714 B10R1.363 CC1(CCCCC1)C(=O)O M157925 [0,1,0,1,0,0|2,0,0]=4 715 B10R2.351 C1C2C(C2C(=O)O)CO1 O194616 [0,0,0,2,0,0|1,1,0]=4 716 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,0,0,0,0,2|2,0,0]=4