0 B6R0.2 B(C=C(C)C)(O)O TS31479 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.2 B(CC(C)C)(O)O TS01505 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.2 C(=N)(N)NC(=O)N TS37857 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 C(=O)(N)NC(=O)N TS31632 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.2 C(=O)([O-])OC(=O)[O-] TS44007 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C(C(=N)N)C(=O)N TS37135 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 C(C(=N)N)C(=O)O TS31589 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 C(C(=O)Cl)C(=O)Cl TS37463 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 C(C(=O)N)C(=O)N TS31588 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C(C(=O)O)C(=O)O TS01463 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 C(C(=O)O)C(=O)O TS04061 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 C(C(=O)O)C(=O)O TS08896 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 C(C(=O)O)C(=O)O TS74524 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 C(C(=O)O)C(=O)[O-] TS37554 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 C(C(=O)[O-])C(=O)[O-] TS37547 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.2 CC(=C)OC(=O)C TS03841 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 CC(=CC(=C)C)C TS03733 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.2 CC(=CC(=O)C)C TS31432 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.2 CC(=CC(=O)C)N TS03815 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.2 CC(=CC(=O)Cl)C TS04766 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.2 CC(=CC(=O)O)C TS03839 [0,0,0,0,0,0|0,0,0]=0 23 B6R0.2 CC(=NN(C)C)C TS03874 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.2 CC(=O)CC(=O)C TS03846 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.2 CC(=O)CC(=O)N TS31549 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.2 CC(=O)CC(=O)O TS31585 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.2 CC(=O)CN(C)C TS31555 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.2 CC(=O)NC(=N)N TS77165 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.2 CC(=O)NC(=O)C TS31542 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.2 CC(=O)NC(=O)N TS03933 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.2 CC(=O)NC(=S)N TS04730 [0,0,0,0,0,0|3,1,0]=4 33 B6R0.2 CC(=O)OC(=O)C TS31583 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.2 CC(=O)SC(=O)C TS04729 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.2 CC(=SC(=O)C)O TS05893 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.2 CC(C)CC(=C)C TS31451 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.2 CC(C)CC(=O)C TS31526 [0,0,0,0,0,0|1,0,2]=3 38 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.2 CC(C)CC(=O)N TS31557 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.2 CC(C)CC(=O)O TS03936 [0,0,0,0,0,0|0,0,2]=2 41 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,0,0,0,0,0|0,0,3]=3 42 B6R0.2 CC(C)CC(C)O TS31610 [0,0,0,0,0,0|1,0,3]=4 43 B6R0.2 CC(C)NC(=O)N TS31602 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.2 CC(C)OC(=O)C TS01509 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.2 CC(C)OC(=O)N TS03993 [0,0,0,0,0,0|2,0,1]=3 47 B6R0.2 CC(C)O[N+](=O)[O-] TS04064 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.2 CC(C=C(C)C)O TS03862 [0,0,0,0,0,0|1,0,1]=2 49 B6R0.2 CC(CC(=C)C)O TS31505 [0,0,0,0,0,0|1,0,3]=4 50 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,0,0,0,0,0|1,0,2]=3 51 B6R0.2 CC(CC(=O)O)O TS31666 [0,0,0,0,0,0|1,0,2]=3 52 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,0,0,0,0,0|1,0,3]=4 53 B6R0.2 CC(CN(C)C)O TS04008 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.2 CN(C)CC(=O)O TS08905 [0,0,0,0,0,0|1,0,1]=2 56 B6R0.2 CN(C)CC(=O)O TS37315 [0,0,0,0,0,0|1,0,1]=2 57 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,0,0,0,0,0|1,0,2]=3 58 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,0,0,0,0,0|1,0,2]=3 59 B6R0.2 CN(C)CC(=S)N TS09051 [0,0,0,0,0,0|2,1,1]=4 60 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,0,0,0,0,0|1,0,2]=3 61 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,0,0,0,0,0|1,0,2]=3 62 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,0,0,0,0,0|1,0,2]=3 63 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,0,0,0,0,0|1,0,3]=4 64 B6R0.2 C[C@@H](CN(C)C)O TS04004 [0,0,0,0,0,0|2,0,2]=4 65 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,0,0,0,0,0|1,0,2]=3 66 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,0,0,0,0,0|1,0,3]=4 67 B5R0.1 C#CCC(=O)O TS03477 [1,0,0,0,0,0|0,0,3]=4 68 B5R0.1 C(=CCl)C(=O)O TS31733 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 C(=CCl)C(=O)O TS59459 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 C(=CI)C(=O)O TS53940 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 C(=O)NC(=O)N TS71797 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.1 C(C#N)C(=O)O TS71730 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 C(CBr)C(=O)O TS09493 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 C(CCl)C(=O)O TS04159 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 C(CI)C(=O)O TS18918 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 C(CN)C(=O)O TS02667 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.1 C(CO)C(=O)O TS16373 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.1 C(CS)C(=O)O TS04091 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.1 C=CCC(=O)O TS03525 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.1 C=CCP(=O)O TS31725 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 C=CNC(=O)N TS71741 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 C=COC(=O)Cl TS31731 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 C=COC(=O)N TS03553 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.1 CC#CC(=O)O TS55183 [1,0,0,0,0,0|0,0,2]=3 85 B5R0.1 CC(=C)CCO TS71766 [1,0,0,0,0,0|0,0,3]=4 86 B5R0.1 CC(=CC#N)N TS65880 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CC(=CC=C)C TS03470 [1,0,0,0,0,0|1,0,0]=2 88 B5R0.1 CC(=CC=O)C TS03497 [1,0,0,0,0,0|0,0,0]=1 89 B5R0.1 CC(=CCBr)C TS00408 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.1 CC(=CCCl)C TS00047 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.1 CC(=CCN)C TS04881 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.1 CC(=CCN)C TS63606 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.1 CC(=CCN)C TS70656 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.1 CC(=CCO)C TS71763 [1,0,0,0,0,0|0,0,1]=2 95 B5R0.1 CC(=CCO)Cl TS31734 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.1 CC(=CCS)C TS03985 [1,0,0,0,0,0|0,1,1]=3 97 B5R0.1 CC(=C[Mg]Br)C TS42096 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [1,0,0,0,0,0|1,1,0]=3 99 B5R0.1 CC(=O)C=NO TS03554 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 CC(=O)CCO TS39752 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 CC(=O)COC TS03573 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 CC(=O)CSC TS31685 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.1 CC(=O)NCO TS08902 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CC(=O)NSC TS31708 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 CC(=O)OC=C TS03528 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 CC(=O)OC=O TS71794 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 CC(=O)O[Hg]C TS30965 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.1 CC(C)CC=O TS71746 [1,0,0,0,0,0|0,0,2]=3 109 B5R0.1 CC(C)CCO TS71804 [1,0,0,0,0,0|0,0,3]=4 110 B5R0.1 CC(C)N=C=O TS71736 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.1 CC(C)OC=C TS03534 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.1 CC(C)OC=O TS03580 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.1 CC(C)ON=O TS71823 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 CC(CC=O)O TS03574 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.1 CC=CC(=O)C TS03499 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.1 CC=CC(=O)Cl TS04051 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.1 CC=CC(=O)N TS03508 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.1 CC=CC(=O)O TS03526 [1,0,0,0,0,0|0,0,0]=1 119 B5R0.1 CC=CC(=O)[O-] TS05036 [1,0,0,0,0,0|0,0,1]=2 120 B5R0.1 CC=CC(C)C TS71719 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.1 CC=CC(C)O TS71747 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 CCC=C(C)C TS71718 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 CCC=C(F)F TS03652 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 CCCC(=O)Br TS40964 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.1 CCCC(=O)C TS71754 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.1 CCCC(=O)Cl TS16539 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.1 CCCC(=O)N TS03561 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.1 CCCC(=O)O TS03572 [1,0,0,0,0,0|0,0,2]=3 129 B5R0.1 CCCC(=O)O TS63934 [1,0,0,0,0,0|0,0,2]=3 130 B5R0.1 CCCC(=O)[O-] TS04184 [1,0,0,0,0,0|0,0,3]=4 131 B5R0.1 CCCC(=O)[O-] TS04232 [1,0,0,0,0,0|0,0,3]=4 132 B5R0.1 CCCC(=O)[O-] TS44539 [1,0,0,0,0,0|0,0,3]=4 133 B5R0.1 CCCC(=S)O TS04825 [1,0,0,0,0,0|0,1,2]=4 134 B5R0.1 CCNC(=O)C TS03563 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 CCNC(=O)N TS03591 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.1 CCOC(=O)C TS03585 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.1 CCOC(=O)C TS03625 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 CCOC(=O)C TS71827 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 CCOC(=O)Cl TS56143 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.1 CCOC(=O)N TS59479 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 CN(C)CC=C TS56352 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.1 CN(C)CCO TS03600 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.1 CNCC(=O)N TS36031 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CNCC(=O)O TS34582 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.1 CNCC(=O)O TS36080 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.1 CNCC(=O)[O-] TS04231 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.1 COCC(=O)O TS03620 [1,0,0,0,0,0|1,0,1]=3 148 B5R0.1 CSCC(=O)N TS93570 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.1 C[SiH](C)CC=C TS03888 [1,0,0,0,0,0|1,1,1]=4 150 B7R0.2 C(C(CN)N)C(=O)O TS32339 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [0,1,0,0,0,0|1,0,2]=4 152 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.2 CC(=CC(=O)C)O[Ir] TS78858 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.2 CC(=CC(=O)C)O[Tl] TS74884 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,1,0,0,0,0|0,0,0]=1 160 B7R0.2 CC(=CC(=O)OC)N TS08575 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.2 CC(=O)CC(=O)NC TS04520 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.2 CC(=O)CC(=O)OC TS32187 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.2 CC(=O)NC(=O)CN TS32199 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.2 CC(=O)NC(=O)NC TS32196 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.2 CC(C)CC(=NO)C TS32168 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.2 CC(C)CC(=O)OC TS04588 [0,1,0,0,0,0|0,0,2]=3 168 B7R0.2 CC(C)CC(=O)SC TS05775 [0,1,0,0,0,0|0,1,2]=4 169 B7R0.2 CC(C)NC(=NO)N TS04682 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.2 CC(C)NC(=O)C=C TS32016 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.2 CC(C)NC(=O)CCl TS06023 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.2 CC(C)OC(=O)C=C TS32061 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.2 CC(C)OC(=O)CCl TS37073 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.2 CC(C)OC(=O)CN TS41311 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.2 CC(C)OC(=O)CO TS32323 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.2 CC(C)OC(=O)CS TS05924 [0,1,0,0,0,0|1,1,1]=4 177 B7R0.2 CC(CC(=O)OC)Br TS65942 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.2 CCC(=O)CC(C)C TS32113 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.2 CCC(C)CC(=O)C TS04467 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.2 CCC(C)CC(=O)O TS04597 [0,1,0,0,0,0|0,0,2]=3 183 B7R0.2 CCC(C)NC(=O)N TS04603 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.2 CCC(C)OC(=O)C TS32210 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.2 CCC(CC(=O)O)N TS04672 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.2 CCC(CC(=O)O)O TS32318 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,1,0,0,0,0|0,0,2]=3 189 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,1,0,0,0,0|0,0,2]=3 191 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [0,1,0,0,0,0|1,0,2]=4 192 B7R0.2 CN(C)CC(=O)NN TS04683 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.2 CN(C)CC(=O)OC TS04665 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.2 CN(CC(=O)O)N=O TS04701 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.2 COC(=O)CC(=O)[O-] TS04695 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.2 COC(=O)NC(=O)N TS04702 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.9 CC(=CC(C)(C)C)C TS31962 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.9 CC(=C[Si](C)(C)C)C TS36372 [0,1,0,0,0,0|2,1,0]=4 201 B7R0.9 CC(=O)CC(C)(C)C TS32105 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.9 CC(=O)CC(C)(C)N TS23643 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.9 CC(=O)CC(C)(C)O TS03121 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.9 CC(=O)CC(C)(C)S TS02240 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.9 CC(=O)NC(C)(C)C TS32162 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.9 CC(=O)N[Si](C)(C)C TS36628 [0,1,0,0,0,0|2,1,0]=4 207 B7R0.9 CC(=O)OC(C)(C)C TS33213 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.9 CC(=O)O[Si](C)(C)C TS05784 [0,1,0,0,0,0|2,1,0]=4 209 B7R0.9 CC(=O)SC(C)(C)C TS05772 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.9 CC(C)(C)CC(=O)Cl TS65731 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.9 CC(C)(C)CC(=O)O TS32207 [0,1,0,0,0,0|0,0,2]=3 212 B7R0.9 CC(C)(C)NC(=O)N TS04605 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.9 CC(C)(C)OC(=O)N TS01702 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.9 CC(C)(CC(=O)O)N TS65844 [0,1,0,0,0,0|0,0,2]=3 215 B7R0.9 CC(C)(CC(=O)O)O TS04710 [0,1,0,0,0,0|0,0,2]=3 216 B7R0.9 CC(C)OP(=O)(O)O TS44965 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.9 C[N+](C)(C)CC(=O)O TS39821 [0,1,0,0,0,0|1,0,1]=3 218 B7R0.9 C[N+](C)(C)CC(=O)[O-] TS04673 [0,1,0,0,0,0|1,0,2]=4 219 B7R0.9 C[N+](C)(C)CC(=O)[O-] TS05987 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.9 C[Si](C)(C)CC(=O)O TS05787 [0,1,0,0,0,0|0,1,1]=3 221 B7R0.16 C(=C(Cl)Cl)(C(=O)O)Cl TS13745 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.16 C(=O)(C(=O)O)C(=O)O TS04690 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.16 C(=O)(C(=O)O)C(=O)O TS06034 [0,1,0,0,0,0|2,0,0]=3 224 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] TS11468 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] TS60844 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.16 C(C(=O)O)(C(=O)O)N TS01343 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.16 C(C(=O)O)(C(=O)O)O TS32405 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.16 CC(=C(N(C)C)Cl)C TS05850 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.16 CC(=O)N(C)C(=O)C TS04528 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.16 CC(C(=O)C)C(=O)C TS32068 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.16 CC(C(=O)N(C)C)O TS32283 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.16 CC(C(=O)O)C(=O)O TS59975 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,1,0,0,0,0|1,0,2]=4 236 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,1,0,0,0,0|1,0,2]=4 237 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,1,0,0,0,0|1,0,2]=4 238 B7R0.16 CC(C)C(=C(C)C)C TS31980 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,1,0,0,0,0|0,0,2]=3 240 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,1,0,0,0,0|0,0,2]=3 242 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,1,0,0,0,0|0,0,2]=3 243 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,1,0,0,0,0|0,0,2]=3 244 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,1,0,0,0,0|0,0,2]=3 247 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,1,0,0,0,0|0,0,2]=3 248 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,1,0,0,0,0|0,0,2]=3 249 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,1,0,0,0,0|0,0,2]=3 250 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,1,0,0,0,0|0,0,2]=3 251 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,1,0,0,0,0|0,0,2]=3 252 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,1,0,0,0,0|0,0,2]=3 253 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,1,0,0,0,0|1,0,2]=4 258 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,1,0,0,0,0|1,0,2]=4 259 B7R1.2 C1C(=O)C=C(N1)O TS31463 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.2 C1C(=O)NC(=O)N1 TS39884 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.2 C1C(=O)NC(=O)N1 TS40408 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.2 C1C(=O)NC(=O)O1 TS31533 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,0,0,1,0,0|2,1,0]=4 264 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.2 C1C(COC1=O)O TS31581 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.2 C1C(OC(=O)O1)F TS31724 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.2 C1CC(=O)CC1=O TS46791 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.2 C1CC(=O)NC1=O TS31467 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.2 C1CC(=O)OC1=O TS31489 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,0,0,1,0,0|1,0,2]=4 272 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,0,0,1,0,0|1,0,2]=4 274 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,0,0,1,0,0|0,0,0]=1 277 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,0,0,1,0,0|2,0,1]=4 278 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,0,0,1,0,0|2,0,1]=4 279 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,0,0,1,0,0|1,0,1]=3 280 B7R1.2 CC1COC(=O)O1 TS08062 [0,0,0,1,0,0|1,0,1]=3 281 B7R1.2 CC1COC(=O)O1 TS93060 [0,0,0,1,0,0|1,0,1]=3 282 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,0,0,1,0,0|1,0,1]=3 285 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,0,0,1,0,0|1,0,1]=3 286 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.2 Cc1cc([nH]c1)C TS00646 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.2 Cc1cc(cs1)Br TS70964 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.2 Cc1cc(n[nH]1)C TS65819 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.2 Cc1cc(n[nH]1)Cl TS04650 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.2 Cc1cc(n[nH]1)N TS55479 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.2 Cc1cc(no1)Br TS65934 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.2 Cc1cc(no1)N TS48907 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.2 Cc1cc(no1)N TS60000 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.2 Cc1cc(no1)O TS31468 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.2 Cc1cc(on1)C TS08855 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.2 Cc1cc(on1)N TS02058 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.2 Cc1cc(sc1)C TS04334 [0,0,0,1,0,0|1,1,1]=4 299 B7R1.2 Cc1cc(sn1)Br TS60427 [0,0,0,1,0,0|2,1,0]=4 300 B7R1.2 Cc1cc(sn1)N TS03230 [0,0,0,1,0,0|2,1,0]=4 301 B7R1.2 Cc1coc(n1)C TS31396 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.2 Cc1coc(n1)N TS71223 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [0,0,0,1,0,0|3,0,0]=4 304 B7R1.2 c1(=O)[nH]c(=O)o[nH]1 TS31574 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.2 c1c(n[nH]c1O)N TS31472 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.16 C1C(=CS1(=O)=O)Cl TS37250 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.20 C1CC1CC(=O)O TS55836 [0,0,0,1,0,0|0,0,2]=3 309 B5R0.5 B(C(=C)C)(O)O TS94670 [0,0,0,0,1,0|1,0,2]=4 310 B5R0.5 B(C(C)C)(O)O TS56191 [0,0,0,0,1,0|1,0,2]=4 311 B5R0.5 C(=N)(N)S(=O)O TS31766 [0,0,0,0,1,0|3,0,0]=4 312 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [0,0,0,0,1,0|3,0,0]=4 313 B5R0.5 C(=O)(C(=O)F)F TS71886 [0,0,0,0,1,0|3,0,0]=4 314 B5R0.5 C(=O)(C(=O)N)N TS03568 [0,0,0,0,1,0|3,0,0]=4 315 B5R0.5 C(=O)(C(=O)O)N TS01624 [0,0,0,0,1,0|2,0,0]=3 316 B5R0.5 C(=O)(C(=O)O)O TS03614 [0,0,0,0,1,0|2,0,0]=3 317 B5R0.5 C(=O)(C(=O)O)O TS07631 [0,0,0,0,1,0|2,0,0]=3 318 B5R0.5 C(=O)(C(=O)O)O TS11826 [0,0,0,0,1,0|2,0,0]=3 319 B5R0.5 C(=O)(C(=O)O)O TS40816 [0,0,0,0,1,0|2,0,0]=3 320 B5R0.5 C(=O)(C(=O)O)O TS63351 [0,0,0,0,1,0|2,0,0]=3 321 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [0,0,0,0,1,0|2,0,1]=4 322 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [0,0,0,0,1,0|2,0,1]=4 323 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [0,0,0,0,1,0|2,0,0]=3 324 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [0,0,0,0,1,0|2,0,0]=3 325 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [0,0,0,0,1,0|2,0,1]=4 326 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [0,0,0,0,1,0|2,0,1]=4 327 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [0,0,0,0,1,0|2,0,1]=4 328 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [0,0,0,0,1,0|2,0,1]=4 329 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [0,0,0,0,1,0|2,0,1]=4 330 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [0,0,0,0,1,0|2,0,1]=4 331 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [0,0,0,0,1,0|2,0,1]=4 332 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [0,0,0,0,1,0|2,0,1]=4 333 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [0,0,0,0,1,0|2,0,1]=4 334 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [0,0,0,0,1,0|2,0,1]=4 335 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [0,0,0,0,1,0|2,0,1]=4 336 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [0,0,0,0,1,0|2,0,1]=4 337 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [0,0,0,0,1,0|2,0,1]=4 338 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [0,0,0,0,1,0|2,0,1]=4 339 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [0,0,0,0,1,0|2,0,1]=4 340 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [0,0,0,0,1,0|2,0,1]=4 341 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [0,0,0,0,1,0|2,0,1]=4 342 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [0,0,0,0,1,0|2,0,1]=4 343 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [0,0,0,0,1,0|2,0,1]=4 344 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [0,0,0,0,1,0|2,0,1]=4 345 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [0,0,0,0,1,0|2,0,1]=4 346 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [0,0,0,0,1,0|2,0,1]=4 347 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [0,0,0,0,1,0|2,0,1]=4 348 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [0,0,0,0,1,0|2,0,1]=4 349 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [0,0,0,0,1,0|2,0,1]=4 350 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [0,0,0,0,1,0|2,0,1]=4 351 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [0,0,0,0,1,0|2,0,1]=4 352 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [0,0,0,0,1,0|2,0,1]=4 353 B5R0.5 C(C(=O)O)(Br)Br TS22308 [0,0,0,0,1,0|2,0,1]=4 354 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [0,0,0,0,1,0|2,0,1]=4 355 B5R0.5 C(C(=O)O)(F)Cl TS31986 [0,0,0,0,1,0|2,0,1]=4 356 B5R0.5 C(C(=O)O)(F)F TS01438 [0,0,0,0,1,0|2,0,1]=4 357 B5R0.5 C=C(C(=O)Cl)F TS04157 [0,0,0,0,1,0|2,0,1]=4 358 B5R0.5 C=C(C(=O)O)Br TS40957 [0,0,0,0,1,0|1,0,1]=3 359 B5R0.5 C=C(C(=O)O)Cl TS31732 [0,0,0,0,1,0|1,0,1]=3 360 B5R0.5 C=C(C(=O)O)F TS03616 [0,0,0,0,1,0|1,0,1]=3 361 B5R0.5 C=C(C(=O)[O-])Cl TS36375 [0,0,0,0,1,0|1,0,2]=4 362 B5R0.5 CC(=C(C)Br)C TS07531 [0,0,0,0,1,0|2,0,0]=3 363 B5R0.5 CC(=C(C)C)C TS71721 [0,0,0,0,1,0|2,0,0]=3 364 B5R0.5 CC(=C(C)[NH3+])C TS04005 [0,0,0,0,1,0|2,0,0]=3 365 B5R0.5 CC(=C(Cl)Cl)Cl TS07132 [0,0,0,0,1,0|3,0,0]=4 366 B5R0.5 CC(=C)C(=C)C TS71685 [0,0,0,0,1,0|2,0,1]=4 367 B5R0.5 CC(=C)C(=O)C TS03485 [0,0,0,0,1,0|1,0,1]=3 368 B5R0.5 CC(=C)C(=O)Cl TS56226 [0,0,0,0,1,0|1,0,1]=3 369 B5R0.5 CC(=C)C(=O)F TS03570 [0,0,0,0,1,0|1,0,1]=3 370 B5R0.5 CC(=C)C(=O)N TS71737 [0,0,0,0,1,0|1,0,1]=3 371 B5R0.5 CC(=C)C(=O)O TS56224 [0,0,0,0,1,0|0,0,1]=2 372 B5R0.5 CC(=C)C(=O)[O-] TS03649 [0,0,0,0,1,0|0,0,2]=3 373 B5R0.5 CC(=C)C(=O)[O-] TS04134 [0,0,0,0,1,0|0,0,2]=3 374 B5R0.5 CC(=C)C(=O)[O-] TS17588 [0,0,0,0,1,0|0,0,2]=3 375 B5R0.5 CC(=C)C(=O)[O-] TS17954 [0,0,0,0,1,0|0,0,2]=3 376 B5R0.5 CC(=C)C(=O)[O-] TS20934 [0,0,0,0,1,0|0,0,2]=3 377 B5R0.5 CC(=C)C(=O)[O-] TS25799 [0,0,0,0,1,0|0,0,2]=3 378 B5R0.5 CC(=C)C(=O)[O-] TS35997 [0,0,0,0,1,0|0,0,2]=3 379 B5R0.5 CC(=C)C(=O)[O-] TS45223 [0,0,0,0,1,0|0,0,2]=3 380 B5R0.5 CC(=C)C(=O)[O-] TS60851 [0,0,0,0,1,0|0,0,2]=3 381 B5R0.5 CC(=C)C(=O)[O-] TS67081 [0,0,0,0,1,0|0,0,2]=3 382 B5R0.5 CC(=C)C(=O)[O-] TS68528 [0,0,0,0,1,0|0,0,2]=3 383 B5R0.5 CC(=C)C(=O)[O-] TS70135 [0,0,0,0,1,0|0,0,2]=3 384 B5R0.5 CC(=C)C(=O)[O-] TS78671 [0,0,0,0,1,0|0,0,2]=3 385 B5R0.5 CC(=C)[N+](=O)[O-] TS03555 [0,0,0,0,1,0|1,0,2]=4 386 B5R0.5 CC(=O)C(=O)C TS03530 [0,0,0,0,1,0|2,0,0]=3 387 B5R0.5 CC(=O)C(=O)O TS71795 [0,0,0,0,1,0|1,0,0]=2 388 B5R0.5 CC(=O)C(=O)[O-] TS04176 [0,0,0,0,1,0|1,0,1]=3 389 B5R0.5 CC(=O)C(=O)[O-] TS36114 [0,0,0,0,1,0|1,0,1]=3 390 B5R0.5 CC(=O)C(=O)[O-] TS44476 [0,0,0,0,1,0|1,0,1]=3 391 B5R0.5 CC(=O)C(=O)[O-] TS71885 [0,0,0,0,1,0|1,0,1]=3 392 B5R0.5 CC(=O)C(O)O TS46028 [0,0,0,0,1,0|1,0,2]=4 393 B5R0.5 CC(=O)N(C)C TS03557 [0,0,0,0,1,0|2,0,0]=3 394 B5R0.5 CC(=S)N(C)C TS04015 [0,0,0,0,1,0|2,1,0]=4 395 B5R0.5 CC(C(=C)C)O TS71758 [0,0,0,0,1,0|1,0,2]=4 396 B5R0.5 CC(C(=O)Br)Br TS93904 [0,0,0,0,1,0|2,0,1]=4 397 B5R0.5 CC(C(=O)C)Br TS40972 [0,0,0,0,1,0|2,0,1]=4 398 B5R0.5 CC(C(=O)C)Cl TS31738 [0,0,0,0,1,0|2,0,1]=4 399 B5R0.5 CC(C(=O)C)F TS71828 [0,0,0,0,1,0|2,0,1]=4 400 B5R0.5 CC(C(=O)C)O TS03581 [0,0,0,0,1,0|2,0,1]=4 401 B5R0.5 CC(C(=O)C)S TS60015 [0,0,0,0,1,0|2,0,1]=4 402 B5R0.5 CC(C(=O)Cl)Br TS45375 [0,0,0,0,1,0|2,0,1]=4 403 B5R0.5 CC(C(=O)Cl)Cl TS36199 [0,0,0,0,1,0|2,0,1]=4 404 B5R0.5 CC(C(=O)N)Br TS10108 [0,0,0,0,1,0|2,0,1]=4 405 B5R0.5 CC(C(=O)N)Cl TS04116 [0,0,0,0,1,0|2,0,1]=4 406 B5R0.5 CC(C(=O)N)O TS71825 [0,0,0,0,1,0|2,0,1]=4 407 B5R0.5 CC(C(=O)O)Br TS10263 [0,0,0,0,1,0|1,0,1]=3 408 B5R0.5 CC(C(=O)O)Br TS41327 [0,0,0,0,1,0|1,0,1]=3 409 B5R0.5 CC(C(=O)O)Cl TS04158 [0,0,0,0,1,0|1,0,1]=3 410 B5R0.5 CC(C(=O)O)F TS02005 [0,0,0,0,1,0|1,0,1]=3 411 B5R0.5 CC(C(=O)O)N TS71826 [0,0,0,0,1,0|1,0,1]=3 412 B5R0.5 CC(C(=O)O)O TS03619 [0,0,0,0,1,0|1,0,1]=3 413 B5R0.5 CC(C(=O)O)O TS69796 [0,0,0,0,1,0|1,0,1]=3 414 B5R0.5 CC(C(=O)O)S TS04090 [0,0,0,0,1,0|1,0,1]=3 415 B5R0.5 CC(C(=O)[O-])O TS04267 [0,0,0,0,1,0|1,0,2]=4 416 B5R0.5 CC(C(=O)[O-])O TS21805 [0,0,0,0,1,0|1,0,2]=4 417 B5R0.5 CC(C(=O)[O-])O TS25875 [0,0,0,0,1,0|1,0,2]=4 418 B5R0.5 CC(C(=O)[O-])O TS49421 [0,0,0,0,1,0|1,0,2]=4 419 B5R0.5 CC(C(=O)[O-])O TS53785 [0,0,0,0,1,0|1,0,2]=4 420 B5R0.5 CC(C(=O)[O-])O TS60724 [0,0,0,0,1,0|1,0,2]=4 421 B5R0.5 CC(C(=O)[O-])O TS67922 [0,0,0,0,1,0|1,0,2]=4 422 B5R0.5 CC(C(=O)[O-])O TS82339 [0,0,0,0,1,0|1,0,2]=4 423 B5R0.5 CC(C(=O)[O-])O TS93633 [0,0,0,0,1,0|1,0,2]=4 424 B5R0.5 CC(C(=O)[O-])O TS94684 [0,0,0,0,1,0|1,0,2]=4 425 B5R0.5 CC(C(=O)[O-])O TS94690 [0,0,0,0,1,0|1,0,2]=4 426 B5R0.5 CC(C)C(=C)C TS71720 [0,0,0,0,1,0|2,0,1]=4 427 B5R0.5 CC(C)C(=N)N TS03540 [0,0,0,0,1,0|2,0,1]=4 428 B5R0.5 CC(C)C(=N)N TS32540 [0,0,0,0,1,0|2,0,1]=4 429 B5R0.5 CC(C)C(=O)Br TS40967 [0,0,0,0,1,0|1,0,1]=3 430 B5R0.5 CC(C)C(=O)C TS39716 [0,0,0,0,1,0|1,0,1]=3 431 B5R0.5 CC(C)C(=O)Cl TS31739 [0,0,0,0,1,0|1,0,1]=3 432 B5R0.5 CC(C)C(=O)F TS71829 [0,0,0,0,1,0|1,0,1]=3 433 B5R0.5 CC(C)C(=O)N TS01506 [0,0,0,0,1,0|1,0,1]=3 434 B5R0.5 CC(C)C(=O)O TS85221 [0,0,0,0,1,0|0,0,1]=2 435 B5R0.5 CC(C)C(=O)[O-] TS03660 [0,0,0,0,1,0|0,0,2]=3 436 B5R0.5 CC(C)C(=O)[O-] TS04185 [0,0,0,0,1,0|0,0,2]=3 437 B5R0.5 CC(C)C(=O)[O-] TS36146 [0,0,0,0,1,0|0,0,2]=3 438 B5R0.5 CC(C)C(=O)[O-] TS44540 [0,0,0,0,1,0|0,0,2]=3 439 B5R0.5 CC(C)C(C)O TS03594 [0,0,0,0,1,0|1,0,2]=4 440 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [0,0,0,0,1,0|1,0,2]=4 441 B5R0.5 CN(C)C(=N)N TS04993 [0,0,0,0,1,0|3,0,0]=4 442 B5R0.5 CN(C)C(=O)Cl TS04117 [0,0,0,0,1,0|2,0,0]=3 443 B5R0.5 CN(C)C(=O)N TS03592 [0,0,0,0,1,0|2,0,0]=3 444 B5R0.5 CN(C)C(=O)O TS05907 [0,0,0,0,1,0|1,0,0]=2 445 B5R0.5 CN(C)C(=S)Cl TS09052 [0,0,0,0,1,0|2,1,0]=4 446 B5R0.5 CN(C)C(=S)[S-] TS04874 [0,0,0,0,1,0|1,2,0]=4 447 B5R0.5 CN(C)C(=S)[S-] TS11177 [0,0,0,0,1,0|1,2,0]=4 448 B5R0.5 CN(C)C(=S)[S-] TS40093 [0,0,0,0,1,0|1,2,0]=4 449 B5R0.5 CN(C)C(=S)[S-] TS60533 [0,0,0,0,1,0|1,2,0]=4 450 B5R0.5 CN(C)C(=[Se])N TS09993 [0,0,0,0,1,0|2,1,0]=4 451 B5R0.5 C[C@@H](C(=O)N)N TS01517 [0,0,0,0,1,0|2,0,1]=4 452 B5R0.5 C[C@@H](C(=O)N)N TS03590 [0,0,0,0,1,0|2,0,1]=4 453 B5R0.5 C[C@@H](C(=O)N)O TS59860 [0,0,0,0,1,0|2,0,1]=4 454 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [0,0,0,0,1,0|1,0,1]=3 455 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [0,0,0,0,1,0|1,0,1]=3 456 B5R0.5 C[C@@H](C(=O)O)N TS01516 [0,0,0,0,1,0|1,0,1]=3 457 B5R0.5 C[C@@H](C(=O)O)N TS03624 [0,0,0,0,1,0|1,0,1]=3 458 B5R0.5 C[C@@H](C(=O)O)O TS39672 [0,0,0,0,1,0|1,0,1]=3 459 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [0,0,0,0,1,0|1,0,2]=4 460 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [0,0,0,0,1,0|1,0,2]=4 461 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [0,0,0,0,1,0|1,0,2]=4 462 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [0,0,0,0,1,0|2,0,1]=4 463 B5R0.5 C[C@H](C(=O)N)N TS46606 [0,0,0,0,1,0|2,0,1]=4 464 B5R0.5 C[C@H](C(=O)N)N TS60179 [0,0,0,0,1,0|2,0,1]=4 465 B5R0.5 C[C@H](C(=O)N)O TS71820 [0,0,0,0,1,0|2,0,1]=4 466 B5R0.5 C[C@H](C(=O)O)Br TS10264 [0,0,0,0,1,0|1,0,1]=3 467 B5R0.5 C[C@H](C(=O)O)O TS03621 [0,0,0,0,1,0|1,0,1]=3 468 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [0,0,0,0,1,0|1,0,2]=4 469 B5R0.5 C[N+](=C(Cl)Cl)C TS42521 [0,0,0,0,1,0|3,0,0]=4 470 B7R0.6 C(=CC(=O)Cl)C(=O)Cl TS10262 [0,0,0,0,0,1|3,0,0]=4 471 B7R0.6 C(=CC(=O)N)C(=O)N TS32051 [0,0,0,0,0,1|3,0,0]=4 472 B7R0.6 C(=CC(=O)N)C(=O)N TS32053 [0,0,0,0,0,1|3,0,0]=4 473 B7R0.6 C(=CC(=O)O)C(=O)N TS32144 [0,0,0,0,0,1|2,0,0]=3 474 B7R0.6 C(=CC(=O)O)C(=O)O TS32176 [0,0,0,0,0,1|2,0,0]=3 475 B7R0.6 C(=CC(=O)[O-])C(=O)O TS37153 [0,0,0,0,0,1|2,0,0]=3 476 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS10402 [0,0,0,0,0,1|2,0,1]=4 477 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS37241 [0,0,0,0,0,1|2,0,1]=4 478 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS42103 [0,0,0,0,0,1|2,0,1]=4 479 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS46372 [0,0,0,0,0,1|2,0,1]=4 480 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS47787 [0,0,0,0,0,1|2,0,1]=4 481 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS51492 [0,0,0,0,0,1|2,0,1]=4 482 B7R0.6 C(=CC(=O)[O-])C(=O)[O-] TS94691 [0,0,0,0,0,1|2,0,1]=4 483 B7R0.6 C(C(=O)O)NC(=N)N TS32278 [0,0,0,0,0,1|2,0,1]=4 484 B7R0.6 C(C(=O)O)NC(=O)N TS04703 [0,0,0,0,0,1|2,0,1]=4 485 B7R0.6 C(C(=O)O)SC(=N)N TS05895 [0,0,0,0,0,1|2,0,1]=4 486 B7R0.6 C(C(=O)[O-])NC(=O)O TS11651 [0,0,0,0,0,1|2,0,1]=4 487 B7R0.6 C(CC(=O)O)C(=O)N TS32275 [0,0,0,0,0,1|2,0,1]=4 488 B7R0.6 C(CC(=O)O)C(=O)O TS04698 [0,0,0,0,0,1|2,0,1]=4 489 B7R0.6 C(CC(=O)O)C(=O)O TS79519 [0,0,0,0,0,1|2,0,1]=4 490 B7R0.6 CC(=C)CCC(=O)C TS04310 [0,0,0,0,0,1|1,0,2]=4 491 B7R0.6 CC(=C)COC(=O)C TS04432 [0,0,0,0,0,1|1,0,2]=4 492 B7R0.6 CC(=CC=C(C)C)C TS47272 [0,0,0,0,0,1|2,0,0]=3 493 B7R0.6 CC(=CC=C(Cl)Cl)C TS09984 [0,0,0,0,0,1|2,0,0]=3 494 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,0,0,0,0,1|0,0,0]=1 495 B7R0.6 CC(=NN=C(C)C)C TS04319 [0,0,0,0,0,1|3,0,0]=4 496 B7R0.6 CC(=NNC(=O)C)C TS32085 [0,0,0,0,0,1|2,0,0]=3 497 B7R0.6 CC(=NNC(=O)N)C TS04537 [0,0,0,0,0,1|2,0,0]=3 498 B7R0.6 CC(=NNC(=S)N)C TS36610 [0,0,0,0,0,1|2,1,0]=4 499 B7R0.6 CC(=O)C=CC(=O)O TS32041 [0,0,0,0,0,1|1,0,0]=2 500 B7R0.6 CC(=O)CCC(=O)C TS00680 [0,0,0,0,0,1|2,0,1]=4 501 B7R0.6 CC(=O)CCC(=O)O TS64917 [0,0,0,0,0,1|1,0,1]=3 502 B7R0.6 CC(=O)CNC(=O)C TS01998 [0,0,0,0,0,1|2,0,1]=4 503 B7R0.6 CC(=O)COC(=O)C TS32186 [0,0,0,0,0,1|2,0,1]=4 504 B7R0.6 CC(=O)NCC(=O)O TS33214 [0,0,0,0,0,1|1,0,1]=3 505 B7R0.6 CC(=O)NNC(=O)C TS32201 [0,0,0,0,0,1|3,0,0]=4 506 B7R0.6 CC(=O)OCC(=O)Cl TS37071 [0,0,0,0,0,1|2,0,1]=4 507 B7R0.6 CC(=O)OCC(=O)O TS04693 [0,0,0,0,0,1|1,0,1]=3 508 B7R0.6 CC(=O)OOC(=O)C TS04696 [0,0,0,0,0,1|3,0,0]=4 509 B7R0.6 CC(=O)SSC(=O)C TS09930 [0,0,0,0,0,1|3,0,0]=4 510 B7R0.6 CC(C)C=CC(=O)C TS01150 [0,0,0,0,0,1|1,0,1]=3 511 B7R0.6 CC(C)C=CC(=O)O TS04440 [0,0,0,0,0,1|0,0,1]=2 512 B7R0.6 CC(C)CCC(=O)C TS32095 [0,0,0,0,0,1|1,0,2]=4 513 B7R0.6 CC(C)CCC(=O)Cl TS05954 [0,0,0,0,0,1|1,0,2]=4 514 B7R0.6 CC(C)CCC(=O)O TS32208 [0,0,0,0,0,1|0,0,2]=3 515 B7R0.6 CC(C)CNC(=O)N TS04600 [0,0,0,0,0,1|1,0,2]=4 516 B7R0.6 CC(C)COC(=O)C TS04598 [0,0,0,0,0,1|1,0,2]=4 517 B7R0.6 CC(C)COC(=O)Cl TS74510 [0,0,0,0,0,1|1,0,2]=4 518 B7R0.6 CC(C)COC(=O)N TS32285 [0,0,0,0,0,1|1,0,2]=4 519 B7R0.6 CC(C)OCC(=O)O TS04716 [0,0,0,0,0,1|0,0,2]=3 520 B7R0.6 CN(C)C=C[N+](=O)[O-] TS32192 [0,0,0,0,0,1|2,0,1]=4 521 B7R0.6 CN(C)C=NC(=S)N TS36612 [0,0,0,0,0,1|2,1,0]=4 522 B7R0.6 C[S+](C)CCC(=O)O TS12940 [0,0,0,0,0,1|1,0,1]=3 523 B7R0.6 C[S+](C)CCC(=O)O TS21843 [0,0,0,0,0,1|1,0,1]=3 524 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [0,0,0,0,0,1|1,0,2]=4 525 B4R0.1 BC(=O)OC TS05627 [2,0,0,0,0,0|2,0,0]=4 526 B4R0.1 C#CC(=O)O TS59821 [2,0,0,0,0,0|0,0,2]=4 527 B4R0.1 C(=O)C(=O)O TS39873 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.1 C(C(=O)O)Br TS06335 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.1 C(C(=O)O)Br TS37324 [2,0,0,0,0,0|1,0,1]=4 530 B4R0.1 C(C(=O)O)Br TS37325 [2,0,0,0,0,0|1,0,1]=4 531 B4R0.1 C(C(=O)O)Br TS37462 [2,0,0,0,0,0|1,0,1]=4 532 B4R0.1 C(C(=O)O)Cl TS03683 [2,0,0,0,0,0|1,0,1]=4 533 B4R0.1 C(C(=O)O)F TS03424 [2,0,0,0,0,0|1,0,1]=4 534 B4R0.1 C(C(=O)O)I TS48817 [2,0,0,0,0,0|1,0,1]=4 535 B4R0.1 C(C(=O)O)N TS31897 [2,0,0,0,0,0|1,0,1]=4 536 B4R0.1 C(C(=O)O)N TS62535 [2,0,0,0,0,0|1,0,1]=4 537 B4R0.1 C(C(=O)O)O TS71635 [2,0,0,0,0,0|1,0,1]=4 538 B4R0.1 C(C(=O)O)S TS03656 [2,0,0,0,0,0|1,0,1]=4 539 B4R0.1 C=C(C=O)Br TS36903 [2,0,0,0,0,0|1,0,1]=4 540 B4R0.1 C=CC(=C)Cl TS71819 [2,0,0,0,0,0|1,0,1]=4 541 B4R0.1 C=CC(=O)Cl TS33217 [2,0,0,0,0,0|1,0,0]=3 542 B4R0.1 C=CC(=O)N TS45022 [2,0,0,0,0,0|1,0,0]=3 543 B4R0.1 C=CC(=O)O TS71594 [2,0,0,0,0,0|0,0,0]=2 544 B4R0.1 C=CC(=O)[O-] TS03423 [2,0,0,0,0,0|0,0,1]=3 545 B4R0.1 C=CC(=O)[O-] TS10783 [2,0,0,0,0,0|0,0,1]=3 546 B4R0.1 C=CC(=O)[O-] TS14324 [2,0,0,0,0,0|0,0,1]=3 547 B4R0.1 C=CC(=O)[O-] TS38896 [2,0,0,0,0,0|0,0,1]=3 548 B4R0.1 C=CC(=O)[O-] TS43153 [2,0,0,0,0,0|0,0,1]=3 549 B4R0.1 C=CC(=O)[O-] TS43339 [2,0,0,0,0,0|0,0,1]=3 550 B4R0.1 C=CC(=O)[O-] TS57334 [2,0,0,0,0,0|0,0,1]=3 551 B4R0.1 C=CC(=O)[O-] TS71822 [2,0,0,0,0,0|0,0,1]=3 552 B4R0.1 C=CC(=O)[O-] TS80195 [2,0,0,0,0,0|0,0,1]=3 553 B4R0.1 C=C[N+](=O)[O-] TS03377 [2,0,0,0,0,0|1,0,1]=4 554 B4R0.1 CC(=C)C=C TS00101 [2,0,0,0,0,0|0,0,1]=3 555 B4R0.1 CC(=C)C=O TS71445 [2,0,0,0,0,0|0,0,1]=3 556 B4R0.1 CC(=C)CO TS00103 [2,0,0,0,0,0|0,0,2]=4 557 B4R0.1 CC(=C=O)C TS16967 [2,0,0,0,0,0|0,0,1]=3 558 B4R0.1 CC(=CBr)Br TS37830 [2,0,0,0,0,0|2,0,0]=4 559 B4R0.1 CC(=CBr)C TS36907 [2,0,0,0,0,0|1,0,0]=3 560 B4R0.1 CC(=CCl)Cl TS31870 [2,0,0,0,0,0|2,0,0]=4 561 B4R0.1 CC(=NN)C TS71612 [2,0,0,0,0,0|2,0,0]=4 562 B4R0.1 CC(=NO)C TS03378 [2,0,0,0,0,0|1,0,0]=3 563 B4R0.1 CC(=O)C=C TS71414 [2,0,0,0,0,0|1,0,0]=3 564 B4R0.1 CC(=O)C=O TS71593 [2,0,0,0,0,0|1,0,0]=3 565 B4R0.1 CC(=O)CO TS39607 [2,0,0,0,0,0|1,0,1]=4 566 B4R0.1 CC(=O)NC TS16313 [2,0,0,0,0,0|2,0,0]=4 567 B4R0.1 CC(=O)OC TS03390 [2,0,0,0,0,0|2,0,0]=4 568 B4R0.1 CC(=O)OO TS71636 [2,0,0,0,0,0|2,0,0]=4 569 B4R0.1 CC(=O)SC TS71852 [2,0,0,0,0,0|2,0,0]=4 570 B4R0.1 CC(=[N+]=[N-])C TS03273 [2,0,0,0,0,0|2,0,0]=4 571 B4R0.1 CC(C)C=O TS00105 [2,0,0,0,0,0|0,0,1]=3 572 B4R0.1 CC(C)CO TS03402 [2,0,0,0,0,0|0,0,2]=4 573 B4R0.1 CC(C)NO TS04257 [2,0,0,0,0,0|1,0,1]=4 574 B4R0.1 CC(C)NO TS71633 [2,0,0,0,0,0|1,0,1]=4 575 B4R0.1 CC(C=C)Br TS36909 [2,0,0,0,0,0|1,0,1]=4 576 B4R0.1 CC(C=C)Cl TS03635 [2,0,0,0,0,0|1,0,1]=4 577 B4R0.1 CC(C=C)O TS71610 [2,0,0,0,0,0|1,0,1]=4 578 B4R0.1 CC=C(Br)Br TS37832 [2,0,0,0,0,0|2,0,0]=4 579 B4R0.1 CC=C(C)Br TS36906 [2,0,0,0,0,0|1,0,1]=4 580 B4R0.1 CC=C(C)C TS03364 [2,0,0,0,0,0|0,0,1]=3 581 B4R0.1 CC=C(Cl)Br TS41551 [2,0,0,0,0,0|2,0,0]=4 582 B4R0.1 CCC(=O)Br TS06155 [2,0,0,0,0,0|1,0,1]=4 583 B4R0.1 CCC(=O)C TS71608 [2,0,0,0,0,0|1,0,1]=4 584 B4R0.1 CCC(=O)Cl TS71868 [2,0,0,0,0,0|1,0,1]=4 585 B4R0.1 CCC(=O)F TS71638 [2,0,0,0,0,0|1,0,1]=4 586 B4R0.1 CCC(=O)N TS59820 [2,0,0,0,0,0|1,0,1]=4 587 B4R0.1 CCC(=O)O TS03391 [2,0,0,0,0,0|0,0,1]=3 588 B4R0.1 CCC(=O)[O-] TS03709 [2,0,0,0,0,0|0,0,2]=4 589 B4R0.1 CCC(=O)[O-] TS04307 [2,0,0,0,0,0|0,0,2]=4 590 B4R0.1 CCC(=O)[O-] TS21191 [2,0,0,0,0,0|0,0,2]=4 591 B4R0.1 CCC(=O)[O-] TS28396 [2,0,0,0,0,0|0,0,2]=4 592 B4R0.1 CCC(=O)[O-] TS29272 [2,0,0,0,0,0|0,0,2]=4 593 B4R0.1 CCC(=O)[O-] TS38909 [2,0,0,0,0,0|0,0,2]=4 594 B4R0.1 CCC(=O)[O-] TS48904 [2,0,0,0,0,0|0,0,2]=4 595 B4R0.1 CCC(=O)[O-] TS53540 [2,0,0,0,0,0|0,0,2]=4 596 B4R0.1 CCC(=S)O TS71850 [2,0,0,0,0,0|0,1,1]=4 597 B4R0.1 CN(C)C=O TS01574 [2,0,0,0,0,0|1,0,0]=3 598 B4R0.1 CN(C)C=O TS03397 [2,0,0,0,0,0|1,0,0]=3 599 B4R0.1 CN(C)C=O TS31811 [2,0,0,0,0,0|1,0,0]=3 600 B4R0.1 CN(C)C=O TS41262 [2,0,0,0,0,0|1,0,0]=3 601 B4R0.1 CN(C)N=O TS03395 [2,0,0,0,0,0|2,0,0]=4 602 B4R0.1 CNC(=O)Cl TS71883 [2,0,0,0,0,0|2,0,0]=4 603 B4R0.1 CNC(=O)N TS03394 [2,0,0,0,0,0|2,0,0]=4 604 B4R0.1 COC(=O)Cl TS03684 [2,0,0,0,0,0|2,0,0]=4 605 B4R0.1 COC(=O)N TS71628 [2,0,0,0,0,0|2,0,0]=4 606 B4R0.1 COC(=O)[O-] TS36560 [2,0,0,0,0,0|1,0,1]=4 607 B4R0.1 CSC(=O)Cl TS31865 [2,0,0,0,0,0|2,0,0]=4 608 B4R0.1 C[N+](=CBr)C TS22154 [2,0,0,0,0,0|2,0,0]=4 609 B4R0.1 C[N+](=CCl)C TS05301 [2,0,0,0,0,0|2,0,0]=4 610 B4R0.2 C(C=O)C=O TS71592 [2,0,0,0,0,0|1,0,1]=4 611 B4R0.2 C=CNC=O TS03372 [2,0,0,0,0,0|1,0,1]=4 612 B4R0.2 C=COC=O TS71590 [2,0,0,0,0,0|1,0,1]=4 613 B4R0.2 CC=CC#C TS66004 [2,0,0,0,0,0|1,0,1]=4 614 B4R0.2 CC=CC=C TS06116 [2,0,0,0,0,0|1,0,0]=3 615 B4R0.2 CC=CC=C TS71007 [2,0,0,0,0,0|1,0,0]=3 616 B4R0.2 CC=CC=O TS16977 [2,0,0,0,0,0|0,0,0]=2 617 B4R0.2 CC=CCCl TS03634 [2,0,0,0,0,0|1,0,1]=4 618 B4R0.2 CC=CCN TS01395 [2,0,0,0,0,0|1,0,1]=4 619 B4R0.2 CC=CCO TS71604 [2,0,0,0,0,0|0,0,1]=3 620 B4R0.2 CC=COC TS71611 [2,0,0,0,0,0|2,0,0]=4 621 B4R0.2 CC=C[Mg]Br TS40351 [2,0,0,0,0,0|2,0,0]=4 622 B4R0.2 CCC=CBr TS33033 [2,0,0,0,0,0|1,0,1]=4 623 B4R0.2 CCC=CC TS03361 [2,0,0,0,0,0|1,0,1]=4 624 B4R0.2 CCC=CCl TS03636 [2,0,0,0,0,0|1,0,1]=4 625 B4R0.2 CCC=CCl TS03637 [2,0,0,0,0,0|1,0,1]=4 626 B4R0.2 CCCC=O TS71609 [2,0,0,0,0,0|0,0,2]=4 627 B4R0.2 CCNC=O TS03379 [2,0,0,0,0,0|1,0,1]=4 628 B4R0.2 CCOC=O TS03393 [2,0,0,0,0,0|1,0,1]=4 629 B4R0.2 COCC=O TS03388 [2,0,0,0,0,0|1,0,1]=4 630 B6R0.1 CC#CC(=O)OC TS03761 [1,1,0,0,0,0|0,0,2]=4 631 B6R0.1 CC(=CCO)C#C TS31371 [1,1,0,0,0,0|0,0,2]=4 632 B6R0.1 CC(=CCO)C#C TS31372 [1,1,0,0,0,0|0,0,2]=4 633 B6R0.1 CC(=NO)C=NO TS03930 [1,1,0,0,0,0|2,0,0]=4 634 B6R0.1 CC(CC=O)SC TS32354 [1,1,0,0,0,0|0,0,2]=4 635 B6R0.1 CC=C(C)CC=C TS03736 [1,1,0,0,0,0|1,0,1]=4 636 B6R0.1 CC=C(C)CCO TS03864 [1,1,0,0,0,0|0,0,2]=4 637 B6R0.1 CC=CC(=CC)C TS31385 [1,1,0,0,0,0|1,0,0]=3 638 B6R0.1 CC=CC(=O)OC TS56315 [1,1,0,0,0,0|0,0,0]=2 639 B6R0.1 CCC(=O)C=CC TS31436 [1,1,0,0,0,0|1,0,0]=3 640 B6R0.1 CCC(C)C=CC TS03791 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.1 CCC(C)CC=O TS31513 [1,1,0,0,0,0|0,0,2]=4 642 B6R0.1 CCC(C=CC)O TS03868 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.1 CCC=C(C)C=O TS03779 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.1 CCCC(=O)OC TS03955 [1,1,0,0,0,0|0,0,2]=4 645 B6R0.1 CCNC(=O)OC TS31636 [1,1,0,0,0,0|1,0,1]=4 646 B6R0.1 CCOC(=O)CO TS56147 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.1 CCOC(=O)NO TS04067 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.1 CCOC(=O)OC TS31662 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.1 CNCC(=O)OC TS01682 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.1 COC(=O)C=CN TS31544 [1,1,0,0,0,0|1,0,0]=3 651 B6R0.1 COC(=O)CC=C TS31502 [1,1,0,0,0,0|0,0,2]=4 652 B6R0.1 COC(=O)CSC TS39398 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.1 COCC(=O)OC TS39892 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.3 C=C(CBr)C(=O)O TS42841 [1,1,0,0,0,0|1,0,1]=4 657 B6R0.3 C=CC(C(=O)O)N TS07917 [1,1,0,0,0,0|0,0,2]=4 658 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [1,1,0,0,0,0|0,0,2]=4 659 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [1,1,0,0,0,0|0,0,2]=4 660 B6R0.3 CC(=NO)C(=O)C TS31543 [1,1,0,0,0,0|2,0,0]=4 661 B6R0.3 CC(=O)C(=O)OC TS31579 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.3 CC(C(=O)O)NC TS31640 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.3 CC(C)C(=NO)N TS31597 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.3 CC(C)C(=O)NO TS03991 [1,1,0,0,0,0|1,0,1]=4 665 B6R0.3 CC(C=C)C(=O)O TS03843 [1,1,0,0,0,0|0,0,2]=4 666 B6R0.3 CC=C(C)C(=O)C TS31447 [1,1,0,0,0,0|1,0,0]=3 667 B6R0.3 CC=C(C)C(=O)Cl TS04767 [1,1,0,0,0,0|1,0,0]=3 668 B6R0.3 CC=C(C)C(=O)O TS03838 [1,1,0,0,0,0|0,0,0]=2 669 B6R0.3 CC=C(C)C(=O)O TS03840 [1,1,0,0,0,0|0,0,0]=2 670 B6R0.3 CC=C(C)C(C)C TS03807 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.3 CC=C(C)C(C)C TS31450 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.3 CCC(=O)C(=O)C TS03844 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.3 CCC(=O)C(=O)O TS31578 [1,1,0,0,0,0|0,0,1]=3 674 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,1,0,0,0,0|0,0,2]=4 675 B6R0.3 CCC(C(=O)O)Br TS12329 [1,1,0,0,0,0|0,0,2]=4 676 B6R0.3 CCC(C(=O)O)Cl TS04940 [1,1,0,0,0,0|0,0,2]=4 677 B6R0.3 CCC(C(=O)O)N TS45781 [1,1,0,0,0,0|0,0,2]=4 678 B6R0.3 CCC(C(=O)O)N TS47470 [1,1,0,0,0,0|0,0,2]=4 679 B6R0.3 CCC(C(=O)O)O TS31670 [1,1,0,0,0,0|0,0,2]=4 680 B6R0.3 CCC(C)C(=O)O TS03945 [1,1,0,0,0,0|0,0,2]=4 681 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [1,1,0,0,0,0|0,0,2]=4 682 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [1,1,0,0,0,0|0,0,2]=4 683 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [1,1,0,0,0,0|0,0,2]=4 684 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [1,1,0,0,0,0|0,0,2]=4 685 B6R0.3 CC[C@H](C(=O)O)N TS64880 [1,1,0,0,0,0|0,0,2]=4 686 B6R0.3 CN(C)C(=O)C=C TS03821 [1,1,0,0,0,0|2,0,0]=4 687 B6R0.3 COC(=O)C(=O)Cl TS34587 [1,1,0,0,0,0|2,0,0]=4 688 B6R0.3 COC(=O)C(=O)N TS31629 [1,1,0,0,0,0|2,0,0]=4 689 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.4 C(C#CC(=O)O)O TS31490 [1,1,0,0,0,0|0,0,2]=4 693 B6R0.4 C(C(=O)O)NC=O TS31630 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.4 C(C=CC(=O)O)Br TS42842 [1,1,0,0,0,0|0,0,0]=2 695 B6R0.4 C(C=CC(=O)O)O TS31577 [1,1,0,0,0,0|0,0,0]=2 696 B6R0.4 C(CC(=O)O)C=O TS31586 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.4 C(CC(=O)O)CBr TS39744 [1,1,0,0,0,0|0,0,2]=4 698 B6R0.4 C(CC(=O)O)CI TS44433 [1,1,0,0,0,0|0,0,2]=4 699 B6R0.4 C(CC(=O)O)CN TS31643 [1,1,0,0,0,0|0,0,2]=4 700 B6R0.4 C=CC=CC(=O)O TS03760 [1,1,0,0,0,0|0,0,1]=3 701 B6R0.4 C=CCCC(=O)O TS31497 [1,1,0,0,0,0|0,0,2]=4 702 B6R0.4 CC(=CCC=C)C TS03719 [1,1,0,0,0,0|1,0,0]=3 703 B6R0.4 CC(=CCCO)C TS03867 [1,1,0,0,0,0|0,0,1]=3 704 B6R0.4 CC(=CCO[SiH3])C TS04642 [1,1,0,0,0,0|0,0,1]=3 705 B6R0.4 CC(=O)C=COC TS03850 [1,1,0,0,0,0|1,0,0]=3 706 B6R0.4 CC(=O)OCC=O TS31580 [1,1,0,0,0,0|1,0,1]=4 707 B6R0.4 CC(C)C=CC=C TS31391 [1,1,0,0,0,0|1,0,1]=4 708 B6R0.4 CC(C)C=CC=O TS31437 [1,1,0,0,0,0|0,0,1]=3 709 B6R0.4 CC(C)CCC=O TS39767 [1,1,0,0,0,0|0,0,2]=4 710 B6R0.4 CC(C)COC=O TS03939 [1,1,0,0,0,0|0,0,2]=4 711 B6R0.4 CC=CCC(C)C TS03790 [1,1,0,0,0,0|1,0,1]=4 712 B6R0.4 CC=NNC(=O)N TS31550 [1,1,0,0,0,0|2,0,0]=4 713 B6R0.4 CCC#CC(=O)O TS03759 [1,1,0,0,0,0|0,0,2]=4 714 B6R0.4 CCC=CC(=O)C TS31424 [1,1,0,0,0,0|1,0,0]=3 715 B6R0.4 CCC=CC(=O)O TS03448 [1,1,0,0,0,0|0,0,0]=2 716 B6R0.4 CCC=CC(=O)O TS31503 [1,1,0,0,0,0|0,0,0]=2 717 B6R0.4 CCC=CC(C)C TS03789 [1,1,0,0,0,0|1,0,1]=4 718 B6R0.4 CCCCC(=O)O TS03958 [1,1,0,0,0,0|0,0,2]=4 719 B6R0.4 CCNCC(=O)O TS01936 [1,1,0,0,0,0|0,0,2]=4 720 B6R0.4 CCOCC(=O)O TS16814 [1,1,0,0,0,0|0,0,2]=4 721 B6R0.4 CCSCC(=O)O TS04822 [1,1,0,0,0,0|0,0,2]=4 722 B6R0.4 CN(C)C=CC=O TS02738 [1,1,0,0,0,0|1,0,0]=3 723 B6R0.4 CNCCC(=O)O TS03990 [1,1,0,0,0,0|0,0,2]=4 724 B6R0.4 COCCC(=O)O TS31660 [1,1,0,0,0,0|0,0,2]=4 725 B6R0.5 CC(C)(C)CC=O TS65730 [1,1,0,0,0,0|0,0,2]=4 726 B6R0.5 CC(C)(C)NC=O TS03906 [1,1,0,0,0,0|1,0,1]=4 727 B6R0.5 CC(C)(C)OC=O TS03940 [1,1,0,0,0,0|1,0,1]=4 728 B6R0.5 C[N+](C)(C)CC=O TS31608 [1,1,0,0,0,0|1,0,1]=4 729 B6R0.5 C[Si](C)(C)C=CBr TS14360 [1,1,0,0,0,0|1,1,0]=4 730 B6R0.7 CC(=O)C(C)(C)C TS00117 [0,1,0,0,1,0|1,0,1]=4 731 B6R0.7 CC(=O)C(C)(C)Cl TS32448 [0,1,0,0,1,0|1,0,1]=4 732 B6R0.7 CC(=O)C(C)(C)O TS31591 [0,1,0,0,1,0|1,0,1]=4 733 B6R0.7 CC(=O)[Si](C)(C)C TS04641 [0,1,0,0,1,0|1,1,0]=4 734 B6R0.7 CC(C(=O)O)(Cl)Cl TS06816 [0,1,0,0,1,0|1,0,1]=4 735 B6R0.7 CC(C(=O)O)(F)F TS04179 [0,1,0,0,1,0|1,0,1]=4 736 B6R0.7 CC(C)(C(=O)Br)Br TS55080 [0,1,0,0,1,0|1,0,1]=4 737 B6R0.7 CC(C)(C(=O)Cl)Cl TS06549 [0,1,0,0,1,0|1,0,1]=4 738 B6R0.7 CC(C)(C(=O)N)Br TS42985 [0,1,0,0,1,0|1,0,1]=4 739 B6R0.7 CC(C)(C(=O)N)O TS03994 [0,1,0,0,1,0|1,0,1]=4 740 B6R0.7 CC(C)(C(=O)O)Br TS12333 [0,1,0,0,1,0|0,0,1]=3 741 B6R0.7 CC(C)(C(=O)O)F TS31729 [0,1,0,0,1,0|0,0,1]=3 742 B6R0.7 CC(C)(C(=O)O)N TS59938 [0,1,0,0,1,0|0,0,1]=3 743 B6R0.7 CC(C)(C(=O)O)O TS39665 [0,1,0,0,1,0|0,0,1]=3 744 B6R0.7 CC(C)(C(=O)O)S TS16701 [0,1,0,0,1,0|0,0,1]=3 745 B6R0.7 CC(C)(C)C(=O)Cl TS39623 [0,1,0,0,1,0|1,0,1]=4 746 B6R0.7 CC(C)(C)C(=O)N TS03907 [0,1,0,0,1,0|1,0,1]=4 747 B6R0.7 CC(C)(C)C(=O)O TS59813 [0,1,0,0,1,0|0,0,1]=3 748 B6R0.7 CC(C)(C)C(=O)[O-] TS37551 [0,1,0,0,1,0|0,0,2]=4 749 B6R0.7 CC(C)(C)C(=O)[O-] TS93485 [0,1,0,0,1,0|0,0,2]=4 750 B6R0.7 CC(C)(C)C(=S)O TS32363 [0,1,0,0,1,0|0,1,1]=4 751 B6R0.7 CC(C)P(=O)(O)O TS05004 [0,1,0,0,1,0|1,0,1]=4 752 B8R0.9 C(C(=O)NCC(=O)O)N TS36650 [0,1,0,0,0,1|1,0,1]=4 753 B8R0.9 C(C(=O)NCC(=O)O)N TS44935 [0,1,0,0,0,1|1,0,1]=4 754 B8R0.9 C(C(=O)O)NC(=O)CCl TS41061 [0,1,0,0,0,1|1,0,1]=4 755 B8R0.9 C(CC(=O)O)C(=O)CN TS43267 [0,1,0,0,0,1|1,0,1]=4 756 B8R0.9 C(CC(=O)O)C(=O)CN TS71377 [0,1,0,0,0,1|1,0,1]=4 757 B8R0.9 CC(=NO)CCC(=O)O TS05643 [0,1,0,0,0,1|1,0,1]=4 758 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [0,1,0,0,0,1|1,0,0]=3 759 B8R0.9 CC(=O)CCC(=O)OC TS05537 [0,1,0,0,0,1|1,0,1]=4 760 B8R0.9 CC(C)C=CC(=O)OC TS36289 [0,1,0,0,0,1|0,0,1]=3 761 B8R0.9 CC(C)CCC(=O)OC TS36500 [0,1,0,0,0,1|0,0,2]=4 762 B8R0.9 CCC(C)CCC(=O)O TS36505 [0,1,0,0,0,1|0,0,2]=4 763 B8R0.9 CN(C)C=CC(=O)OC TS36401 [0,1,0,0,0,1|1,0,0]=3 764 B8R0.9 CN(C)CCC(=O)OC TS36601 [0,1,0,0,0,1|1,0,1]=4 765 B8R0.9 CNC(=O)C=CC(=O)O TS05434 [0,1,0,0,0,1|1,0,0]=3 766 B8R0.9 CNC(=O)CCC(=O)O TS05642 [0,1,0,0,0,1|1,0,1]=4 767 B8R0.9 COC(=O)C=CC(=O)[O-] TS36456 [0,1,0,0,0,1|1,0,1]=4 768 B8R0.23 C(=C(Cl)Cl)C(C(=O)O)N TS45077 [0,1,0,0,0,1|2,0,0]=4 769 B8R0.23 C(=O)(C(=O)O)NC(=O)N TS05697 [0,1,0,0,0,1|2,0,0]=4 770 B8R0.23 C(C(=O)C(=O)O)C(=O)O TS05694 [0,1,0,0,0,1|2,0,0]=4 771 B8R0.23 C=C(CC(=O)O)C(=O)O TS00102 [0,1,0,0,0,1|2,0,0]=4 772 B8R0.23 CC(=CC(=O)O)C(=O)O TS36451 [0,1,0,0,0,1|2,0,0]=4 773 B8R0.23 CC(=CC(=O)O)C(=O)O TS36455 [0,1,0,0,0,1|2,0,0]=4 774 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [0,1,0,0,0,1|2,0,0]=4 775 B8R0.23 CC(=O)NC(=C)C(=O)O TS05433 [0,1,0,0,0,1|1,0,0]=3 776 B8R0.23 CC(C)C(CC(=O)O)N TS36592 [0,1,0,0,0,1|0,0,2]=4 777 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,1,0,0,0,1|0,0,1]=3 778 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,1,0,0,0,1|1,0,1]=4 779 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,1,0,0,0,1|0,0,1]=3 780 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,1,0,0,0,1|0,0,2]=4 781 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,1,0,0,0,1|0,0,2]=4 782 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,1,0,0,0,1|0,0,2]=4 783 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,1,0,0,0,1|0,0,2]=4 784 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,1,0,0,0,1|0,0,2]=4 785 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,1,0,0,0,1|0,0,2]=4 786 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,1,0,0,0,1|0,0,2]=4 787 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,1,0,0,0,1|0,0,2]=4 788 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,1,0,0,0,1|0,0,2]=4 789 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,1,0,0,0,1|0,0,2]=4 790 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,1,0,0,0,1|0,0,2]=4 791 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,1,0,0,0,1|0,0,2]=4 792 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,1,0,0,0,1|0,0,2]=4 793 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,1,0,0,0,1|0,0,2]=4 794 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,1,0,0,0,1|0,0,2]=4 795 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,1,0,0,0,1|0,0,2]=4 796 B8R0.23 CC(C)[C@@H](CC(=O)O)N TS36595 [0,1,0,0,0,1|0,0,2]=4 797 B8R0.23 CC(C)[C@H](CC(=O)O)N TS36600 [0,1,0,0,0,1|0,0,2]=4 798 B8R0.23 CC(CC(=O)C)C(=O)O TS05533 [0,1,0,0,0,1|1,0,1]=4 799 B8R0.23 CC(CC(=O)O)C(=O)C TS05531 [0,1,0,0,0,1|1,0,1]=4 800 B8R0.23 CN(C)C[C@@H](C(=O)O)N TS36673 [0,1,0,0,0,1|1,0,1]=4 801 B8R0.23 CN(C)C[C@H](C(=O)O)N TS36670 [0,1,0,0,0,1|1,0,1]=4 802 B8R0.23 C[C@@H](C(=O)O)OC(=O)C TS05702 [0,1,0,0,0,1|1,0,1]=4 803 B8R0.29 CC(C)(C)CCC(=O)O TS36497 [0,1,0,0,0,1|0,0,2]=4 804 B8R0.29 CC(C)(C)NCC(=O)O TS65250 [0,1,0,0,0,1|0,0,2]=4 805 B8R0.29 CC(C)(C)OCC(=O)O TS36657 [0,1,0,0,0,1|0,0,2]=4 806 B8R0.29 C[Si](C)(C)C#CC(=O)O TS37633 [0,1,0,0,0,1|0,1,1]=4 807 B8R0.29 C[Si](C)(C)CCC(=O)O TS40471 [0,1,0,0,0,1|0,1,1]=4 808 B8R0.2 C(=O)C(=C(C(=O)O)Br)Br TS08899 [0,2,0,0,0,0|1,0,1]=4 809 B8R0.2 C(=O)C(=C(C(=O)O)Cl)Cl TS07895 [0,2,0,0,0,0|1,0,1]=4 810 B8R0.2 CC(=O)C(C(=O)OC)Cl TS09961 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.2 CC(=O)C(C(=O)OC)Cl TS93822 [0,2,0,0,0,0|1,0,1]=4 812 B8R0.2 CC(=O)C(C(=O)OC)N TS05637 [0,2,0,0,0,0|1,0,1]=4 813 B8R0.2 CC(C(C(=O)O)Br)OC TS53798 [0,2,0,0,0,0|0,0,2]=4 814 B8R0.2 CC(C(C(=O)O)N)SC TS07582 [0,2,0,0,0,0|0,0,2]=4 815 B8R0.2 CC(C)C(C(=O)OC)Br TS59793 [0,2,0,0,0,0|0,0,2]=4 816 B8R0.2 CC(C)C(C(=O)OC)N TS12449 [0,2,0,0,0,0|0,0,2]=4 817 B8R0.2 CC(C)[C@@H](C(=O)OC)N TS94392 [0,2,0,0,0,0|0,0,2]=4 818 B8R0.2 CC(C)[C@H](C(=O)OC)N TS59536 [0,2,0,0,0,0|0,0,2]=4 819 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,2,0,0,0,0|0,0,1]=3 820 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [0,2,0,0,0,0|0,0,2]=4 821 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [0,2,0,0,0,0|0,0,2]=4 822 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,2,0,0,0,0|0,0,2]=4 823 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,2,0,0,0,0|0,0,2]=4 824 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,2,0,0,0,0|0,0,2]=4 825 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,2,0,0,0,0|0,0,2]=4 826 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,2,0,0,0,0|0,0,2]=4 827 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [0,2,0,0,0,0|0,0,2]=4 828 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,2,0,0,0,0|0,0,2]=4 829 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,2,0,0,0,0|0,0,2]=4 830 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,2,0,0,0,0|0,0,2]=4 831 B8R0.2 COC(=O)C(=C(F)F)F TS37331 [0,2,0,0,0,0|2,0,0]=4 832 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC TS22900 [0,2,0,0,0,0|0,0,2]=4 833 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC TS05815 [0,2,0,0,0,0|0,0,2]=4 834 B8R0.2 C[C@H]([C@H](C(=O)O)N)OC TS05816 [0,2,0,0,0,0|0,0,2]=4 835 B8R0.5 CC(C)OC(=O)OCCl TS64904 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.5 CCCC(=CC(=O)O)C TS36312 [0,2,0,0,0,0|0,0,0]=2 837 B8R0.5 CCCC(C)CC(=O)O TS05545 [0,2,0,0,0,0|0,0,2]=4 838 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [0,2,0,0,0,0|0,0,2]=4 839 B8R0.5 CCNC(=CC(=O)C)C TS05283 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.5 CCOC(=O)C=C(C)C TS32816 [0,2,0,0,0,0|0,0,0]=2 841 B8R0.5 CCOC(=O)CC(=O)C TS41089 [0,2,0,0,0,0|1,0,1]=4 842 B8R0.5 CCOC(=O)CC(=O)C TS59779 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.5 CCOC(=O)CC(=O)O TS39886 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,2,0,0,0,0|0,0,2]=4 845 B8R0.5 CCOC(=O)CN(C)C TS05660 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.16 CN(C)C=C(C=O)OC TS36415 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.16 CNC(=C[N+](=O)[O-])OC TS36644 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.16 CNC(=C[N+](=O)[O-])SC TS07454 [0,2,0,0,0,0|1,0,1]=4 851 B8R0.16 CSC(=C[N+](=O)[O-])SC TS42958 [0,2,0,0,0,0|1,0,1]=4 852 B8R0.19 CC(=CC(=O)OC)NC TS36410 [0,2,0,0,0,0|0,0,0]=2 853 B8R0.19 CCC(=O)CC(=O)OC TS02305 [0,2,0,0,0,0|1,0,1]=4 854 B8R0.19 CCC(C)CC(=O)OC TS36498 [0,2,0,0,0,0|0,0,2]=4 855 B8R0.19 COC(=O)CC(=O)CCl TS56294 [0,2,0,0,0,0|1,0,1]=4 856 B8R0.19 COC(=O)CC(=O)OC TS22955 [0,2,0,0,0,0|1,0,1]=4 857 B8R0.19 COC(=O)OC(=O)OC TS05864 [0,2,0,0,0,0|2,0,0]=4 858 B8R0.24 CC(C)(C)CC(=O)OC TS05551 [0,2,0,0,0,0|0,0,2]=4 859 B8R0.24 CC(C)(C)OC(=O)NO TS56386 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.24 COC(=O)C[Si](C)(C)C TS40472 [0,2,0,0,0,0|0,1,1]=4 861 B8R0.24 COC(=O)N[Si](C)(C)C TS40580 [0,2,0,0,0,0|1,1,0]=4 862 B8R0.34 CCC(C)(CC(=O)O)O TS05719 [0,2,0,0,0,0|0,0,2]=4 863 B8R0.27 CC(C(=O)O)C(C)(C)C TS05541 [0,2,0,0,0,0|0,0,2]=4 864 B8R0.27 CC(C)(C(C(=O)O)N)F TS05984 [0,2,0,0,0,0|0,0,2]=4 865 B8R0.27 CC(C)(C(C(=O)O)N)O TS05818 [0,2,0,0,0,0|0,0,2]=4 866 B8R0.27 CC(C)(C(C(=O)O)N)S TS07587 [0,2,0,0,0,0|0,0,2]=4 867 B8R0.27 CC(C)(C)C(=O)C(=O)O TS05518 [0,2,0,0,0,0|0,0,1]=3 868 B8R0.27 CC(C)(C)C(C(=O)O)N TS36606 [0,2,0,0,0,0|0,0,2]=4 869 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS12451 [0,2,0,0,0,0|0,0,2]=4 870 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TS56213 [0,2,0,0,0,0|0,0,2]=4 871 B8R0.27 CC(C)(C)[C@@H](C(=O)O)O TS08012 [0,2,0,0,0,0|0,0,2]=4 872 B8R0.27 CC(C)(C)[C@H](C(=O)O)O TS08088 [0,2,0,0,0,0|0,0,2]=4 873 B8R0.27 CC(C)([C@@H](C(=O)O)N)O TS08122 [0,2,0,0,0,0|0,0,2]=4 874 B8R0.27 CC(C)([C@@H](C(=O)O)N)S TS07586 [0,2,0,0,0,0|0,0,2]=4 875 B8R0.27 CC(C)([C@H](C(=O)O)N)O TS46604 [0,2,0,0,0,0|0,0,2]=4 876 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS15540 [0,2,0,0,0,0|0,0,2]=4 877 B8R0.27 CC(C)([C@H](C(=O)O)N)S TS59992 [0,2,0,0,0,0|0,0,2]=4 878 B8R0.18 CC(C)C(C(=O)O)NC TS43283 [0,2,0,0,0,0|0,0,2]=4 879 B8R0.37 CC(C)C(C)(C(=O)O)N TS36603 [0,2,0,0,0,0|0,0,2]=4 880 B8R0.37 CC(C)[C@@](C)(C(=O)O)N TS08011 [0,2,0,0,0,0|0,0,2]=4 881 B6R1.2 C1=CN=NC1=O TS03479 [1,0,0,1,0,0|2,0,0]=4 882 B6R1.2 C1C=CC(=O)N1 TS71697 [1,0,0,1,0,0|1,0,0]=3 883 B6R1.2 C1C=CC(=O)O1 TS03476 [1,0,0,1,0,0|0,0,0]=2 884 B6R1.2 C1CC(=O)C=C1 TS00977 [1,0,0,1,0,0|1,0,0]=3 885 B6R1.2 C1COC(=O)N1 TS03552 [1,0,0,1,0,0|1,0,1]=4 886 B6R1.2 C1COC(=O)O1 TS71793 [1,0,0,1,0,0|1,0,1]=4 887 B6R1.2 CC1=CCCC1 TS71683 [1,0,0,1,0,0|1,0,1]=4 888 B6R1.2 CC1=CCCO1 TS03492 [1,0,0,1,0,0|1,0,1]=4 889 B6R1.2 Cc1cc[nH]c1 TS70679 [1,0,0,1,0,0|1,0,1]=4 890 B6R1.2 Cc1cc[nH]n1 TS70653 [1,0,0,1,0,0|2,0,0]=4 891 B6R1.2 Cc1ccco1 TS03463 [1,0,0,1,0,0|1,0,1]=4 892 B6R1.2 Cc1cccs1 TS65607 [1,0,0,1,0,0|2,0,0]=4 893 B6R1.2 Cc1ccno1 TS71696 [1,0,0,1,0,0|2,0,0]=4 894 B6R1.2 Cc1ccoc1 TS02846 [1,0,0,1,0,0|0,0,1]=3 895 B6R1.2 Cc1ccsc1 TS70682 [1,0,0,1,0,0|0,1,1]=4 896 B6R1.2 Cc1ccsn1 TS39717 [1,0,0,1,0,0|1,1,0]=4 897 B6R1.2 c1cc(oc1)Br TS55169 [1,0,0,1,0,0|1,0,1]=4 898 B6R1.2 c1cnoc1N TS85224 [1,0,0,1,0,0|2,0,0]=4 899 B6R1.2 c1coc(=O)o1 TS16828 [1,0,0,1,0,0|1,0,1]=4 900 B6R1.2 c1cocc1Br TS65944 [1,0,0,1,0,0|1,0,1]=4 901 B6R1.2 c1conc1Br TS01843 [1,0,0,1,0,0|2,0,0]=4 902 B6R1.2 c1conc1Cl TS31649 [1,0,0,1,0,0|2,0,0]=4 903 B6R1.2 c1conc1N TS65834 [1,0,0,1,0,0|2,0,0]=4 904 B6R1.5 C=C1CC(=O)O1 TS55716 [1,0,0,1,0,0|0,0,2]=4 905 B6R1.5 CC1CC(=O)N1 TS71735 [1,0,0,1,0,0|1,0,1]=4 906 B6R1.10 C1C=CS1(=O)=O TS04025 [1,0,0,1,0,0|1,0,1]=4 907 B6R1.11 C1C(O1)C(=O)O TS71796 [1,0,0,1,0,0|1,0,1]=4 908 B6R1.11 C1CC1C(=O)O TS55832 [1,0,0,1,0,0|0,0,2]=4 909 B8R1.3 C1C(=O)OCC(=O)O1 TS32175 [0,0,0,1,0,1|1,0,1]=4 910 B8R1.3 CC1=NNC(=O)CC1 TS04298 [0,0,0,1,0,1|2,0,0]=4 911 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [0,0,0,1,0,1|1,0,1]=4 912 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [0,0,0,1,0,1|2,0,0]=4 913 B8R1.3 Cc1ccc(cc1)O TS05157 [0,0,0,1,0,1|1,0,1]=4 914 B8R1.3 Cc1ccc(cc1)O TS94395 [0,0,0,1,0,1|1,0,1]=4 915 B8R1.3 Cc1ccc(cn1)O TS71569 [0,0,0,1,0,1|1,0,1]=4 916 B8R1.3 Cc1ccc(nc1)O TS01053 [0,0,0,1,0,1|1,0,1]=4 917 B8R1.3 Cc1ncc(cn1)O TS02449 [0,0,0,1,0,1|2,0,0]=4 918 B8R1.23 C1C(CC1=O)C(=O)O TS31990 [0,0,0,1,0,1|1,0,1]=4 919 B8R1.23 C1C(CC1=O)C(=O)O TS70699 [0,0,0,1,0,1|1,0,1]=4 920 B8R1.23 C1C(NC1=O)C(=O)O TS04513 [0,0,0,1,0,1|1,0,1]=4 921 B8R1.23 C1[C@@H](NC1=O)C(=O)O TS89740 [0,0,0,1,0,1|1,0,1]=4 922 B8R1.23 C1[C@H](NC1=O)C(=O)O TS32146 [0,0,0,1,0,1|1,0,1]=4 923 B8R1.23 C=C1CC(C1)C(=O)O TS60352 [0,0,0,1,0,1|0,0,2]=4 924 B8R1.23 C=C1CC(C1)C(=O)O TS89475 [0,0,0,1,0,1|0,0,2]=4 925 B8R1.23 CC1CC(C1)C(=O)O TS88279 [0,0,0,1,0,1|0,0,2]=4 926 B8R1.23 CN1CC(C1)C(=O)O TS89334 [0,0,0,1,0,1|1,0,1]=4 927 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [0,0,0,1,0,1|0,0,2]=4 928 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [0,0,0,1,0,1|0,0,2]=4 929 B8R1.35 C1CC1CCC(=O)O TS04433 [0,0,0,1,0,1|0,0,2]=4 930 B8R1.51 CC1(CC(=O)C=C1)C TS31840 [0,0,0,1,0,1|1,0,1]=4 931 B8R1.51 CC1(CCC(=O)O1)C TS16955 [0,0,0,1,0,1|0,0,2]=4 932 B8R1.51 CC1=CCS(=O)(=O)C1 TS05753 [0,0,0,1,0,1|1,0,1]=4 933 B8R1.77 CC1(CC1C(=O)O)C TS47118 [0,0,0,1,0,1|0,0,2]=4 934 B8R1.77 CC1(C[C@@H]1C(=O)O)C TS16627 [0,0,0,1,0,1|0,0,2]=4 935 B8R1.1 C1C(OC(=O)O1)CO TS04697 [0,1,0,1,0,0|1,0,1]=4 936 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.1 COC1=CC(=O)NC1 TS32006 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.1 COC1=CC(=O)OC1 TS32039 [0,1,0,1,0,0|0,0,0]=2 939 B8R1.1 Cc1cc(no1)C=O TS08758 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.1 Cc1cc(no1)CBr TS46034 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.1 Cc1cc(no1)CCl TS09438 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.1 Cc1cc(no1)CN TS08056 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.1 Cc1cc(no1)CO TS70625 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.1 Cc1cc(oc1)CN TS89029 [0,1,0,1,0,0|1,0,1]=4 945 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,1,0,1,0,0|0,1,1]=4 946 B8R1.1 Cc1cc(sc1)CO TS05369 [0,1,0,1,0,0|0,1,1]=4 947 B8R1.1 Cc1coc(n1)C=O TS90033 [0,1,0,1,0,0|1,0,1]=4 948 B8R1.1 c1c(coc1C=O)Br TS39327 [0,1,0,1,0,0|1,0,1]=4 949 B8R1.1 c1c(o[nH]c1=O)CN TS32048 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.4 C1C(=O)COCC1=O TS39664 [0,1,0,1,0,0|1,0,1]=4 951 B8R1.4 C1C(=O)OC(=O)CO1 TS32177 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.4 C1C(=O)OC(=S)CO1 TS36655 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.4 CC1=CC(CCC1)O TS31949 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,1,0,1,0,0|0,0,2]=4 959 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [0,1,0,1,0,0|1,0,1]=4 960 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [0,1,0,1,0,0|1,0,1]=4 961 B8R1.4 Cc1cc(ccn1)O TS03105 [0,1,0,1,0,0|1,0,1]=4 962 B8R1.4 Cc1cc(cnc1)O TS70616 [0,1,0,1,0,0|1,0,1]=4 963 B8R1.4 Cc1cc(ncn1)O TS71161 [0,1,0,1,0,0|1,0,1]=4 964 B8R1.4 Cc1cccc(c1)O TS31767 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.4 Cc1ccnc(c1)O TS01045 [0,1,0,1,0,0|1,0,1]=4 966 B8R1.18 C1=C(C(=O)OC1=O)Br TS46214 [0,1,0,1,0,0|1,0,1]=4 967 B8R1.18 C1=C(C(=O)OC1=O)Cl TS36728 [0,1,0,1,0,0|1,0,1]=4 968 B8R1.18 CC1=CC(=O)OC1=O TS22789 [0,1,0,1,0,0|0,0,1]=3 969 B8R1.18 CC1=CC(=O)OC1O TS32042 [0,1,0,1,0,0|0,0,0]=2 970 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [0,1,0,1,0,0|2,0,0]=4 971 B8R1.18 Cc1c([nH]c(=O)[nH]1)C TS04294 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.18 Cc1c(oc(=O)o1)C TS60038 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.18 Cc1c(oc(n1)C)C TS00589 [0,1,0,1,0,0|2,0,0]=4 974 B8R1.18 Cc1cc(c(o1)C)S TS36314 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.18 Cc1cc(n(n1)C)C TS00358 [0,1,0,1,0,0|2,0,0]=4 976 B8R1.18 Cc1cc(nn1C)Br TS13617 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.18 Cc1cc(nn1C)N TS31883 [0,1,0,1,0,0|2,0,0]=4 978 B8R1.18 Cc1cc(sc1C)C TS36170 [0,1,0,1,0,0|1,1,0]=4 979 B8R1.34 C1C(=C[N+](=O)[O-])CO1 TS88649 [0,1,0,1,0,0|1,0,1]=4 980 B8R1.34 C1C(CN1)CC(=O)O TS87434 [0,1,0,1,0,0|0,0,2]=4 981 B8R1.34 C1C(CO1)CC(=O)O TS86855 [0,1,0,1,0,0|0,0,2]=4 982 B8R1.34 C1CC(C1)CC(=O)O TS32065 [0,1,0,1,0,0|0,0,2]=4 983 B8R1.40 COC(=O)CC1CC1 TS88176 [0,1,0,1,0,0|0,0,2]=4 984 B8R1.40 COC(=O)NC1CC1 TS04530 [0,1,0,1,0,0|1,0,1]=4 985 B8R1.50 C1C(=O)C(C(=O)O1)Cl TS05937 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.50 CC1=C(C(=O)CC1)Br TS13616 [0,1,0,1,0,0|1,0,0]=3 987 B8R1.50 Cc1c(c(on1)C)Br TS39325 [0,1,0,1,0,0|2,0,0]=4 988 B8R1.50 Cc1c(c(on1)C)I TS65803 [0,1,0,1,0,0|2,0,0]=4 989 B8R1.50 Cc1c(c(on1)C)N TS04295 [0,1,0,1,0,0|2,0,0]=4 990 B8R1.50 Cc1c(c(on1)N)Cl TS36730 [0,1,0,1,0,0|2,0,0]=4 991 B8R1.50 Cc1c(noc1N)C TS04297 [0,1,0,1,0,0|2,0,0]=4 992 B8R1.54 C1CC1C(C(=O)O)N TS04522 [0,1,0,1,0,0|0,0,2]=4 993 B8R1.54 C1CC1[C@@H](C(=O)O)N TS01520 [0,1,0,1,0,0|0,0,2]=4 994 B8R1.54 C1CC1[C@H](C(=O)O)N TS04532 [0,1,0,1,0,0|0,0,2]=4 995 B8R2.66 C1C2C1(C2)C(=O)O TS89087 [0,0,0,2,0,0|0,0,2]=4 996 B8R0.28 C(C=CC(=O)O)C(=O)O TS36453 [0,0,0,0,0,2|2,0,0]=4 997 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,0,0,0,0,2|1,0,0]=3 998 B8R0.28 CC(=CCCC(=O)C)C TS36151 [0,0,0,0,0,2|1,0,0]=3 999 B8R0.28 CC(=CCOC(=O)C)C TS05349 [0,0,0,0,0,2|1,0,0]=3 1000 B8R0.28 CC(=NOCC(=O)O)C TS05640 [0,0,0,0,0,2|0,0,1]=3 1001 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,0,0,0,0,2|1,0,0]=3 1002 B8R0.28 CC(=O)CCCC(=O)O TS36468 [0,0,0,0,0,2|1,0,1]=4 1003 B8R0.28 CC(=O)NCCC(=O)O TS05634 [0,0,0,0,0,2|1,0,1]=4 1004 B8R0.28 CC(C)CC=CC(=O)C TS05196 [0,0,0,0,0,2|1,0,1]=4 1005 B8R0.28 CC(C)CCCC(=O)O TS36507 [0,0,0,0,0,2|0,0,2]=4 1006 B8R0.28 CN(C)CC=CC(=O)O TS01732 [0,0,0,0,0,2|1,0,0]=3 1007 B8R0.28 CN(C)CCCC(=O)O TS12444 [0,0,0,0,0,2|1,0,1]=4