0 B5R0.1 C(=C[SiH3])C(Cl)Cl TS06559 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C(=O)NC(=O)N TS71797 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=COC(=O)Cl TS31731 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C=COC(=O)N TS03553 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC#CC(C)C TS71688 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC#C[C@H](C)O TS03495 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(=CC=C)C TS03470 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=CC=O)C TS03497 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(=CCBr)C TS00408 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CC(=CCCl)C TS00047 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CC(=CCN)C TS04881 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CC(=CCN)C TS63606 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC(=CCN)C TS70656 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(=CCO)C TS71763 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.1 CC(=CCS)C TS03985 [0,0,0,0,0,0|1,1,2]=4 15 B5R0.1 CC(=C[Mg]Br)C TS42096 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC(=C[SiH2]Cl)C TS04849 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.1 CC(=O)OC=C TS03528 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CC(=O)OC=O TS71794 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.1 CC(=O)OCBr TS16534 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 CC(=O)OCCl TS55809 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 CC(=O)O[Hg]C TS30965 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 CC(C)CC#C TS03469 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CC(C)CC#N TS71700 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 CC(C)CC=O TS71746 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 CC(C)CCBr TS09985 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 CC(C)CCCl TS31743 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CC(C)CCI TS18548 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CC(C)CCN TS71773 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 CC(C)CCO TS71804 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.1 CC(C)CCS TS31696 [0,0,0,0,0,0|1,1,1]=3 31 B5R0.1 CC(C)CC[Zn+] TS49167 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC(C)CNC TS01600 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CC(C)CNN TS04103 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.1 CC(C)CON TS36090 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 CC(C)CSC TS31693 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 CC(C)N=C=O TS71736 [0,0,0,0,0,0|1,0,1]=2 37 B5R0.1 CC(C)N=C=S TS03909 [0,0,0,0,0,0|1,1,1]=3 38 B5R0.1 CC(C)OC=C TS03534 [0,0,0,0,0,0|1,0,0]=1 39 B5R0.1 CC(C)OC=O TS03580 [0,0,0,0,0,0|0,0,0]=0 40 B5R0.1 CC(C)OCCl TS04160 [0,0,0,0,0,0|1,0,1]=2 41 B5R0.1 CC(C)ON=O TS71823 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.1 CC(C)SC#N TS03914 [0,0,0,0,0,0|1,1,1]=3 43 B5R0.1 CC(CC#C)O TS03487 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CC(CC#N)Br TS40583 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CC(CC=C)O TS71743 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.1 CC(CC=O)O TS03574 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.1 CC(CCBr)Br TS21967 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CC(CCN)O TS02231 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CC(CCO)N TS60329 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 CC(CCO)O TS71832 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 CC(CCS)S TS04931 [0,0,0,0,0,0|2,1,1]=4 52 B5R0.1 CC(COC)N TS03608 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 CC(COC)O TS71841 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CC=CC(=O)C TS03499 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC=CC(C)C TS71719 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.1 CC=CC(C)O TS71747 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 CCC=C(C)C TS71718 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CCCC(C)Br TS09989 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CCCC(C)Cl TS31741 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CCCC(C)I TS18550 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CCCC(C)O TS03596 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CCCC(C)S TS31692 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CCCC(C)[Zn+] TS49166 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CCCN(C)C TS71775 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 CCC[C@@H](C)O TS71801 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 CCC[C@H](C)O TS71800 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CCNC(C)C TS71777 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 CCOC(=C)C TS71753 [0,0,0,0,0,0|1,0,3]=4 69 B5R0.1 CCOC(=O)C TS03585 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CCOC(=O)C TS03625 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.1 CCOC(=O)C TS71827 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.1 CCOC(=S)C TS31684 [0,0,0,0,0,0|2,0,2]=4 73 B5R0.1 CCOC(C)C TS03595 [0,0,0,0,0,0|1,0,1]=2 74 B5R0.1 CCOC(C)Cl TS04164 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.1 CCO[SiH](C)C TS04048 [0,0,0,0,0,0|1,1,1]=3 76 B5R0.1 CCSC(C)C TS31689 [0,0,0,0,0,0|1,1,1]=3 77 B5R0.1 CN(C)CC#N TS01455 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.1 CN(C)CC=C TS56352 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.1 CN(C)CCBr TS25321 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.1 CN(C)CCN TS00990 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CN(C)CCO TS03600 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CN(C)CCS TS31711 [0,0,0,0,0,0|2,1,1]=4 83 B5R0.1 CN(C)CCS TS37538 [0,0,0,0,0,0|2,1,1]=4 84 B5R0.1 CN(C)CCS TS37540 [0,0,0,0,0,0|2,1,1]=4 85 B5R0.1 C[C@@H](CC#N)O TS71734 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 C[C@@H](CCO)O TS71843 [0,0,0,0,0,0|2,0,2]=4 87 B5R0.1 C[C@@H](COC)N TS03602 [0,0,0,0,0,0|4,0,0]=4 88 B5R0.1 C[C@@H](COC)O TS71834 [0,0,0,0,0,0|4,0,0]=4 89 B5R0.1 C[C@H](CC#N)O TS03507 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.1 C[C@H](CC=C)O TS03535 [0,0,0,0,0,0|3,0,0]=3 91 B5R0.1 C[C@H](CCO)N TS93947 [0,0,0,0,0,0|2,0,2]=4 92 B5R0.1 C[C@H](CCO)O TS71835 [0,0,0,0,0,0|2,0,2]=4 93 B5R0.1 C[C@H](COC)O TS00301 [0,0,0,0,0,0|4,0,0]=4 94 B5R0.1 C[S+](C)CC#C TS48036 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.1 C[SiH](C)CC=C TS03888 [0,0,0,0,0,0|2,1,0]=3 96 B5R0.1 O=[V](=O)O[Ce]=O TS28723 [0,0,0,0,0,0|4,0,0]=4 97 B4R0.1 B(=S(C)C)Cl TS31862 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 C(=O)C(=O)O TS39873 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 C(=O)C(Cl)Cl TS36583 [1,0,0,0,0,0|2,0,0]=3 100 B4R0.1 C=C(C=O)Br TS36903 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.1 CC(=C)C=C TS00101 [1,0,0,0,0,0|1,0,2]=4 102 B4R0.1 CC(=C)C=O TS71445 [1,0,0,0,0,0|0,0,2]=3 103 B4R0.1 CC(=C)OC TS00091 [1,0,0,0,0,0|0,0,3]=4 104 B4R0.1 CC(=C=O)C TS16967 [1,0,0,0,0,0|0,0,2]=3 105 B4R0.1 CC(=CBr)Br TS37830 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CC(=CBr)C TS36907 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CC(=CCl)Cl TS31870 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 CC(=N)OC TS31813 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 CC(=NN)C TS71612 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 CC(=NO)C TS03378 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.1 CC(=O)C=C TS71414 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.1 CC(=O)C=O TS71593 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CC(=O)OC TS03390 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 CC(=O)OO TS71636 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.1 CC(=[N+]=[N-])C TS03273 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CC(C#C)N TS00055 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.1 CC(C#C)N TS31716 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 CC(C#C)O TS09825 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CC(C#N)Br TS05856 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 CC(C#N)N TS03358 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 CC(C#N)O TS03374 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 CC(C)C#C TS71006 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 CC(C)C#N TS03177 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.1 CC(C)C=O TS00105 [1,0,0,0,0,0|0,0,0]=1 125 B4R0.1 CC(C)CBr TS59896 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CC(C)CCl TS00045 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CC(C)CI TS48514 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.1 CC(C)CN TS01504 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.1 CC(C)CN TS04173 [1,0,0,0,0,0|1,0,1]=3 130 B4R0.1 CC(C)CO TS03402 [1,0,0,0,0,0|0,0,2]=3 131 B4R0.1 CC(C)CS TS02444 [1,0,0,0,0,0|0,1,1]=3 132 B4R0.1 CC(C)C[Al+2] TS10535 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 CC(C)C[Zn+] TS19475 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 CC(C)NC TS56405 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 CC(C)NN TS01925 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 CC(C)NO TS04257 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.1 CC(C)NO TS71633 [1,0,0,0,0,0|1,0,1]=3 138 B4R0.1 CC(C)ON TS93804 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.1 CC(C)SC TS71855 [1,0,0,0,0,0|0,1,1]=3 140 B4R0.1 CC(C)[Mg]Br TS07379 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 CC(C)[Mg]Cl TS31622 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 CC(C)[N+]#[C-] TS03159 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.1 CC(C=C)Br TS36909 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 CC(C=C)Cl TS03635 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.1 CC(C=C)O TS71610 [1,0,0,0,0,0|2,0,0]=3 146 B4R0.1 CC(CBr)Cl TS41830 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 CC(CBr)O TS06336 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 CC(CCl)Cl TS31995 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 CC(CCl)O TS03686 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 CC(CF)O TS03431 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 CC(CN)N TS16685 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 CC(CN)O TS71630 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 CC(CO)F TS03432 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.1 CC(CO)N TS04255 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.1 CC(CO)O TS22730 [1,0,0,0,0,0|1,0,2]=4 156 B4R0.1 CC(CS)O TS71863 [1,0,0,0,0,0|1,1,1]=4 157 B4R0.1 CC(CS)S TS04156 [1,0,0,0,0,0|1,1,1]=4 158 B4R0.1 CC(C[NH3+])O TS45584 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 CC(S)SC TS04152 [1,0,0,0,0,0|1,1,1]=4 160 B4R0.1 CC=C(C)Br TS36906 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 CC=C(C)C TS03364 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.1 CCC(C)Br TS39654 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 CCC(C)Cl TS71870 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 CCC(C)I TS93849 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 CCC(C)N TS03382 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 CCC(C)O TS03403 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 CCC(C)S TS71856 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 CCC(C)[Zn+] TS19473 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 CCN(C)C TS03385 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 CC[C@@H](C)N TS04171 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 CC[C@@H](C)O TS03406 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 CC[C@H](C)O TS03405 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CC[SiH](C)C TS71815 [1,0,0,0,0,0|1,1,1]=4 174 B4R0.1 CN(C)C=O TS01574 [1,0,0,0,0,0|1,0,0]=2 175 B4R0.1 CN(C)C=O TS03397 [1,0,0,0,0,0|1,0,0]=2 176 B4R0.1 CN(C)C=O TS31811 [1,0,0,0,0,0|1,0,0]=2 177 B4R0.1 CN(C)C=O TS41262 [1,0,0,0,0,0|1,0,0]=2 178 B4R0.1 CN(C)N=O TS03395 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.1 CNN(C)C TS01930 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 COC(Cl)Cl TS32137 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.1 CO[SiH](C)C TS03629 [1,0,0,0,0,0|0,1,1]=3 182 B4R0.1 C[C@@H](C#C)O TS09824 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.1 C[C@@H](CCl)O TS08924 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.1 C[C@@H](CN)N TS45459 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 C[C@@H](CN)N TS59565 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 C[C@@H](CN)O TS71634 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.1 C[C@@H](CO)Cl TS31359 [1,0,0,0,0,0|1,0,2]=4 188 B4R0.1 C[C@@H](CO)N TS55878 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.1 C[C@@H](CO)O TS46640 [1,0,0,0,0,0|1,0,2]=4 190 B4R0.1 C[C@H](C#C)O TS01975 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.1 C[C@H](CCl)O TS46601 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.1 C[C@H](CN)N TS31866 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.1 C[C@H](CN)N TS45458 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.1 C[C@H](CN)O TS71631 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.1 C[C@H](CO)Cl TS03688 [1,0,0,0,0,0|1,0,2]=4 196 B4R0.1 C[C@H](CO)N TS01415 [1,0,0,0,0,0|1,0,2]=4 197 B4R0.1 C[C@H](CO)O TS59482 [1,0,0,0,0,0|1,0,2]=4 198 B4R0.1 C[N+](=CBr)C TS22154 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.1 C[N+](=CCl)C TS05301 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.1 C[SiH](C)CCl TS04166 [1,0,0,0,0,0|1,1,1]=4 201 B4R0.2 C(C=CBr)Br TS37833 [1,0,0,0,0,0|3,0,0]=4 202 B4R0.2 C(C=CCl)Cl TS04226 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.2 C(C=CCl)Cl TS04227 [1,0,0,0,0,0|3,0,0]=4 204 B4R0.2 C(C=CCl)Cl TS92961 [1,0,0,0,0,0|3,0,0]=4 205 B4R0.2 C(C=O)C=O TS71592 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 C(CCl)C=O TS71867 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.2 C(OCCl)Cl TS32139 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 C(OCF)F TS03457 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 C=CCCBr TS03033 [1,0,0,0,0,0|3,0,0]=4 210 B4R0.2 C=CCCCl TS03638 [1,0,0,0,0,0|3,0,0]=4 211 B4R0.2 C=CCCN TS01596 [1,0,0,0,0,0|3,0,0]=4 212 B4R0.2 C=CCCN TS04120 [1,0,0,0,0,0|3,0,0]=4 213 B4R0.2 C=CCCO TS71598 [1,0,0,0,0,0|3,0,0]=4 214 B4R0.2 C=CNC=O TS03372 [1,0,0,0,0,0|1,0,2]=4 215 B4R0.2 C=COC=O TS71590 [1,0,0,0,0,0|0,0,2]=3 216 B4R0.2 CC=CC=C TS06116 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 CC=CC=C TS71007 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 CC=CC=O TS16977 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.2 CC=CCCl TS03634 [1,0,0,0,0,0|3,0,0]=4 220 B4R0.2 CC=CCN TS01395 [1,0,0,0,0,0|3,0,0]=4 221 B4R0.2 CC=CCO TS71604 [1,0,0,0,0,0|3,0,0]=4 222 B4R0.2 CC=COC TS71611 [1,0,0,0,0,0|3,0,0]=4 223 B4R0.2 CCC#CBr TS05800 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 CCC#CC TS03009 [1,0,0,0,0,0|2,0,1]=4 225 B4R0.2 CCC#CI TS47811 [1,0,0,0,0,0|2,0,1]=4 226 B4R0.2 CCC=C=C TS70908 [1,0,0,0,0,0|2,0,1]=4 227 B4R0.2 CCC=CBr TS33033 [1,0,0,0,0,0|2,0,0]=3 228 B4R0.2 CCC=CC TS03361 [1,0,0,0,0,0|2,0,0]=3 229 B4R0.2 CCC=CCl TS03636 [1,0,0,0,0,0|2,0,0]=3 230 B4R0.2 CCC=CCl TS03637 [1,0,0,0,0,0|2,0,0]=3 231 B4R0.2 CCC=NS TS31707 [1,0,0,0,0,0|2,1,0]=4 232 B4R0.2 CCCC#C TS70989 [1,0,0,0,0,0|2,0,1]=4 233 B4R0.2 CCCC#N TS03176 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.2 CCCC=O TS71609 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.2 CCCCBr TS37077 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.2 CCCCBr TS93069 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.2 CCCCC TS71613 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.2 CCCCCl TS39594 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 CCCCF TS71643 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.2 CCCCI TS48513 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 CCCCN TS03383 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.2 CCCCN TS04172 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.2 CCCCO TS03407 [1,0,0,0,0,0|1,0,2]=4 244 B4R0.2 CCCCS TS71854 [1,0,0,0,0,0|1,1,1]=4 245 B4R0.2 CCCC[O-] TS31364 [1,0,0,0,0,0|1,0,2]=4 246 B4R0.2 CCCC[O-] TS64270 [1,0,0,0,0,0|1,0,2]=4 247 B4R0.2 CCCC[O-] TS66591 [1,0,0,0,0,0|1,0,2]=4 248 B4R0.2 CCCC[O-] TS67287 [1,0,0,0,0,0|1,0,2]=4 249 B4R0.2 CCCC[O-] TS82799 [1,0,0,0,0,0|1,0,2]=4 250 B4R0.2 CCCC[O-] TS83727 [1,0,0,0,0,0|1,0,2]=4 251 B4R0.2 CCCC[S-] TS31943 [1,0,0,0,0,0|1,1,1]=4 252 B4R0.2 CCCC[Si] TS71817 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.2 CCCC[Zn+] TS19474 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.2 CCCNC TS03381 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.2 CCCOC TS03404 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.2 CCCO[NH3+] TS04256 [1,0,0,0,0,0|3,0,0]=4 257 B4R0.2 CCCSC TS71857 [1,0,0,0,0,0|3,0,0]=4 258 B4R0.2 CCC[Mg]Br TS07380 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.2 CCC[Mg]Cl TS31623 [1,0,0,0,0,0|3,0,0]=4 260 B4R0.2 CCC[Zn]Br TS50817 [1,0,0,0,0,0|3,0,0]=4 261 B4R0.2 CCN=C=O TS01458 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.2 CCN=C=S TS71772 [1,0,0,0,0,0|1,1,1]=4 263 B4R0.2 CCNC=O TS03379 [1,0,0,0,0,0|1,0,0]=2 264 B4R0.2 CCNCC TS03384 [1,0,0,0,0,0|2,0,1]=4 265 B4R0.2 CCNCC TS04169 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.2 CCNCC TS05835 [1,0,0,0,0,0|2,0,1]=4 267 B4R0.2 CCNCC TS10368 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.2 CCNCC TS12959 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.2 CCOC#C TS71444 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.2 CCOC=C TS71601 [1,0,0,0,0,0|1,0,0]=2 271 B4R0.2 CCOC=O TS03393 [1,0,0,0,0,0|0,0,0]=1 272 B4R0.2 CCOCC TS03401 [1,0,0,0,0,0|1,0,1]=3 273 B4R0.2 CCOCC TS42371 [1,0,0,0,0,0|1,0,1]=3 274 B4R0.2 CCOCC TS43884 [1,0,0,0,0,0|1,0,1]=3 275 B4R0.2 CCOCC TS68115 [1,0,0,0,0,0|1,0,1]=3 276 B4R0.2 CCOCC TS79120 [1,0,0,0,0,0|1,0,1]=3 277 B4R0.2 CCOCCl TS39832 [1,0,0,0,0,0|1,0,1]=3 278 B4R0.2 CCON=O TS71627 [1,0,0,0,0,0|1,0,0]=2 279 B4R0.2 CCPCC TS71830 [1,0,0,0,0,0|2,0,1]=4 280 B4R0.2 CCSC#N TS71770 [1,0,0,0,0,0|1,1,1]=4 281 B4R0.2 CCSC=C TS71813 [1,0,0,0,0,0|1,1,0]=3 282 B4R0.2 CCSCC TS71853 [1,0,0,0,0,0|1,1,1]=4 283 B4R0.2 CCSSC TS04155 [1,0,0,0,0,0|2,1,0]=4 284 B4R0.2 CC[Al+]CC TS32445 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.2 CC[Al+]CC TS36486 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.2 CC[Cd]CC TS45221 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.2 CC[Ga+]CC TS42641 [1,0,0,0,0,0|2,0,1]=4 288 B4R0.2 CC[GeH2]CC TS36741 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.2 CC[Hg]CC TS68206 [1,0,0,0,0,0|2,0,1]=4 290 B4R0.2 CC[Mg]CC TS71690 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.2 CC[N-]CC TS71656 [1,0,0,0,0,0|2,0,1]=4 292 B4R0.2 CC[Se]CC TS37078 [1,0,0,0,0,0|1,1,1]=4 293 B4R0.2 CC[SiH2]CC TS71816 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.2 CC[Te]CC TS15549 [1,0,0,0,0,0|1,1,1]=4 295 B4R0.2 CC[Zn]CC TS04983 [1,0,0,0,0,0|2,0,1]=4 296 B4R0.2 COCC=C TS94286 [1,0,0,0,0,0|3,0,0]=4 297 B4R0.2 COCC=O TS03388 [1,0,0,0,0,0|2,0,0]=3 298 B4R0.2 CSCC=C TS71811 [1,0,0,0,0,0|3,0,0]=4 299 B4R0.2 O=[Co]O[Co]=O TS59757 [1,0,0,0,0,0|3,0,0]=4 300 B4R0.2 O=[Fe]O[Fe]=O TS25116 [1,0,0,0,0,0|3,0,0]=4 301 B4R0.2 O=[Fe]O[Fe]=O TS84935 [1,0,0,0,0,0|3,0,0]=4 302 B4R0.2 O=[Y]O[Y]=O TS64666 [1,0,0,0,0,0|3,0,0]=4 303 B4R0.2 [2H]OCCC TS65595 [1,0,0,0,0,0|3,0,0]=4 304 B4R0.2 [Li]CCCC TS39912 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.1 C=COC(=O)CBr TS42840 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.1 C=COC(=O)CCl TS32444 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.1 C=COC(=O)CI TS44096 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.1 CC(CC=C)C=C TS31383 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.1 CC(CC=O)SC TS32354 [0,1,0,0,0,0|1,0,0]=2 310 B6R0.1 CC(CCO)OC TS04039 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.1 CC(COC)OC TS94098 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.1 CC=C(C)CC=C TS03736 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.1 CC=CC(=CC)C TS31385 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.1 CCC(=O)OC=C TS31498 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.1 CCC(C)C#CC TS03735 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.1 CCC(C)C=CC TS03791 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.1 CCC(C)CC#C TS03734 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.1 CCC(C)CC=C TS03804 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.1 CCC(C)CC=O TS31513 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.1 CCC(C)CCBr TS42853 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.1 CCC(C)CCO TS31615 [0,1,0,0,0,0|1,0,2]=4 322 B6R0.1 CCC(C)N=C=S TS04544 [0,1,0,0,0,0|1,1,1]=4 323 B6R0.1 CCC(C)ON=O TS31635 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.1 CCC(C)SCC TS04755 [0,1,0,0,0,0|1,1,1]=4 325 B6R0.1 CCC(C=CC)O TS03868 [0,1,0,0,0,0|3,0,0]=4 326 B6R0.1 CCC(CC=C)O TS31532 [0,1,0,0,0,0|3,0,0]=4 327 B6R0.1 CCCC(C)CBr TS42857 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.1 CCCC(C)CC TS03886 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.1 CCCC(C)CO TS39282 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.1 CCCC(C)NC TS03920 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.1 CCOC(CBr)Br TS25152 [0,1,0,0,0,0|2,0,1]=4 332 B6R0.1 CCOC(CCl)Cl TS06818 [0,1,0,0,0,0|2,0,1]=4 333 B6R0.1 CC[C@H](C)CCBr TS42859 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.1 CC[C@H](C)CCO TS31612 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.1 C[C@@H](CCO)CO TS04034 [0,1,0,0,0,0|1,0,2]=4 336 B6R0.1 C[C@H](CCO)CO TS04033 [0,1,0,0,0,0|1,0,2]=4 337 B6R0.2 B(CC(C)C)(O)O TS01505 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.2 C(=O)([O-])OC(=O)[O-] TS44007 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.2 CC(=C)OC(=O)C TS03841 [0,1,0,0,0,0|0,0,2]=3 340 B6R0.2 CC(=CC(=C)C)C TS03733 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.2 CC(=CC(=O)C)C TS31432 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.2 CC(=CC(=O)C)N TS03815 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.2 CC(=CC(=O)Cl)C TS04766 [0,1,0,0,0,0|1,0,1]=3 346 B6R0.2 CC(=CC(=O)O)C TS03839 [0,1,0,0,0,0|1,0,1]=3 347 B6R0.2 CC(=NN(C)C)C TS03874 [0,1,0,0,0,0|3,0,0]=4 348 B6R0.2 CC(=O)CC(=O)C TS03846 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.2 CC(=O)CC(=O)N TS31549 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.2 CC(=O)CC(=O)O TS31585 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.2 CC(=O)CN(C)C TS31555 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.2 CC(=O)NC(=O)C TS31542 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.2 CC(=O)NC(=O)N TS03933 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.2 CC(=O)OC(=O)C TS31583 [0,1,0,0,0,0|1,0,1]=3 356 B6R0.2 CC(=O)SC(=O)C TS04729 [0,1,0,0,0,0|1,1,1]=4 357 B6R0.2 CC(=SC(=O)C)O TS05893 [0,1,0,0,0,0|1,1,1]=4 358 B6R0.2 CC(C)CC(=C)C TS31451 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.2 CC(C)CC(=O)C TS31526 [0,1,0,0,0,0|1,0,0]=2 360 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.2 CC(C)CC(=O)N TS31557 [0,1,0,0,0,0|1,0,0]=2 362 B6R0.2 CC(C)CC(=O)O TS03936 [0,1,0,0,0,0|1,0,0]=2 363 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.2 CC(C)CC(C)Br TS42854 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.2 CC(C)CC(C)C TS03884 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.2 CC(C)CC(C)Cl TS04844 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.2 CC(C)CC(C)N TS31566 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.2 CC(C)CC(C)N TS94386 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.2 CC(C)CC(C)O TS31610 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.2 CC(C)CN(C)C TS03921 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.2 CC(C)NC(=O)N TS31602 [0,1,0,0,0,0|1,0,0]=2 372 B6R0.2 CC(C)NC(C)C TS37146 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.2 CC(C)NC(C)C TS37509 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.2 CC(C)NC(C)C TS39848 [0,1,0,0,0,0|2,0,1]=4 375 B6R0.2 CC(C)NC(C)C TS52959 [0,1,0,0,0,0|2,0,1]=4 376 B6R0.2 CC(C)OC(=O)C TS01509 [0,1,0,0,0,0|0,0,0]=1 377 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,1,0,0,0,0|0,0,0]=1 378 B6R0.2 CC(C)OC(=O)N TS03993 [0,1,0,0,0,0|0,0,0]=1 379 B6R0.2 CC(C)OC(C)C TS39676 [0,1,0,0,0,0|1,0,1]=3 380 B6R0.2 CC(C)O[Al](C)C TS04573 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.2 CC(C)O[N+](=O)[O-] TS04064 [0,1,0,0,0,0|1,0,0]=2 382 B6R0.2 CC(C)PC(C)C TS04732 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.2 CC(C)SC(C)C TS04751 [0,1,0,0,0,0|1,1,1]=4 384 B6R0.2 CC(C)[Hg]C(C)C TS35001 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.2 CC(C)[N-]C(C)C TS74519 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.2 CC(C)[SiH2]C(C)C TS04646 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.2 CC(C=C(C)C)O TS03862 [0,1,0,0,0,0|3,0,0]=4 388 B6R0.2 CC(CC(=C)C)O TS31505 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,1,0,0,0,0|2,0,0]=3 390 B6R0.2 CC(CC(=O)O)O TS31666 [0,1,0,0,0,0|2,0,0]=3 391 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,1,0,0,0,0|2,0,0]=3 392 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,1,0,0,0,0|1,0,0]=2 393 B6R0.2 CN(C)CC(=O)O TS08905 [0,1,0,0,0,0|2,0,0]=3 394 B6R0.2 CN(C)CC(=O)O TS37315 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.2 CN(C)CC(=S)N TS09051 [0,1,0,0,0,0|2,1,0]=4 398 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,1,0,0,0,0|2,0,0]=3 399 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,1,0,0,0,0|2,0,0]=3 400 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,1,0,0,0,0|2,0,0]=3 401 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,1,0,0,0,0|2,0,0]=3 402 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,1,0,0,0,0|2,0,0]=3 403 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,1,0,0,0,0|2,0,0]=3 404 B6R0.2 C[SiH](C)O[SiH](C)C TS05934 [0,1,0,0,0,0|1,2,0]=4 405 B6R0.3 CC(C)C(=N)OC TS37144 [0,1,0,0,0,0|3,0,0]=4 406 B6R0.3 CC(C)C(=NO)N TS31597 [0,1,0,0,0,0|2,0,1]=4 407 B6R0.3 CC(C)C(=O)CBr TS00029 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.3 CC(C)C(=O)NN TS31595 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.3 CC(C)C(=O)NN TS66305 [0,1,0,0,0,0|3,0,0]=4 410 B6R0.3 CC(C)C(=O)NO TS03991 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.3 CC(C)C(=O)OC TS03944 [0,1,0,0,0,0|3,0,0]=4 412 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [0,1,0,0,0,0|3,0,0]=4 413 B6R0.3 CC(C)C(C#C)O TS31442 [0,1,0,0,0,0|2,0,1]=4 414 B6R0.3 CC(C)C(C)C=C TS03806 [0,1,0,0,0,0|2,0,0]=3 415 B6R0.3 CC(C)C(C=C)O TS31528 [0,1,0,0,0,0|2,0,0]=3 416 B6R0.3 CC(C)C(CBr)Br TS52924 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.3 CC(C)C(CO)S TS32435 [0,1,0,0,0,0|1,0,2]=4 418 B6R0.3 CC(C)[C@@H](CO)N TS56215 [0,1,0,0,0,0|1,0,2]=4 419 B6R0.3 CC(C)[C@H](CO)N TS08466 [0,1,0,0,0,0|1,0,2]=4 420 B6R0.3 CC=C(C)C(C)C TS03807 [0,1,0,0,0,0|2,0,0]=3 421 B6R0.3 CC=C(C)C(C)C TS31450 [0,1,0,0,0,0|2,0,0]=3 422 B6R0.3 CCC(=C)C(C)C TS03792 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.3 CCC(=O)C(C)C TS31520 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.3 CCC(C(C)C)O TS03969 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.3 CCC(C)C(C)C TS03882 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.3 CN(C)C(=O)C=C TS03821 [0,1,0,0,0,0|3,0,0]=4 427 B6R0.4 C(C(Cl)Cl)O[V+2]=O TS15080 [0,1,0,0,0,0|3,0,0]=4 428 B6R0.4 C=CCOC([O-])[O-] TS15287 [0,1,0,0,0,0|3,0,0]=4 429 B6R0.4 CC#CCC(C)C TS31389 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 CC(=CCC=C)C TS03719 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.4 CC(=O)OCC=C TS03845 [0,1,0,0,0,0|2,0,1]=4 432 B6R0.4 CC(=O)OCC=O TS31580 [0,1,0,0,0,0|1,0,1]=3 433 B6R0.4 CC(=S)OCC=C TS04611 [0,1,0,0,0,0|2,0,1]=4 434 B6R0.4 CC(C)C=CC=C TS31391 [0,1,0,0,0,0|2,0,0]=3 435 B6R0.4 CC(C)C=CC=O TS31437 [0,1,0,0,0,0|1,0,0]=2 436 B6R0.4 CC(C)CCC#C TS03732 [0,1,0,0,0,0|2,0,1]=4 437 B6R0.4 CC(C)CCC=C TS03801 [0,1,0,0,0,0|2,0,0]=3 438 B6R0.4 CC(C)CCC=O TS39767 [0,1,0,0,0,0|1,0,0]=2 439 B6R0.4 CC(C)CCCBr TS42858 [0,1,0,0,0,0|2,0,1]=4 440 B6R0.4 CC(C)CCCO TS03963 [0,1,0,0,0,0|1,0,2]=4 441 B6R0.4 CC(C)CCNC TS03922 [0,1,0,0,0,0|2,0,1]=4 442 B6R0.4 CC(C)CN=C=S TS04543 [0,1,0,0,0,0|1,1,1]=4 443 B6R0.4 CC(C)COC=C TS31530 [0,1,0,0,0,0|1,0,0]=2 444 B6R0.4 CC(C)COC=O TS03939 [0,1,0,0,0,0|0,0,0]=1 445 B6R0.4 CC(C)CON=O TS03992 [0,1,0,0,0,0|1,0,0]=2 446 B6R0.4 CC(C)NCC#N TS03785 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.4 CC(C)NCCN TS03977 [0,1,0,0,0,0|2,0,1]=4 448 B6R0.4 CC(C)NCCO TS04007 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.4 CC(C)OCCN TS39675 [0,1,0,0,0,0|1,0,1]=3 450 B6R0.4 CC(C)OCCO TS04040 [0,1,0,0,0,0|0,0,2]=3 451 B6R0.4 CC(C)SCC=C TS04640 [0,1,0,0,0,0|1,1,0]=3 452 B6R0.4 CC(C)SCCO TS32430 [0,1,0,0,0,0|0,1,2]=4 453 B6R0.4 CC(CCC=C)Br TS11654 [0,1,0,0,0,0|3,0,0]=4 454 B6R0.4 CC(CCC=C)O TS31524 [0,1,0,0,0,0|3,0,0]=4 455 B6R0.4 CC=CCC(C)C TS03790 [0,1,0,0,0,0|2,0,0]=3 456 B6R0.4 CCC#CC(C)C TS03722 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.4 CCC=CC(C)C TS03789 [0,1,0,0,0,0|2,0,0]=3 458 B6R0.4 CCCCC(C)C TS03881 [0,1,0,0,0,0|2,0,1]=4 459 B6R0.4 CCCNC(C)C TS03926 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.4 CCCSC(C)C TS32368 [0,1,0,0,0,0|1,1,1]=4 461 B6R0.4 CCOCC(C)C TS03959 [0,1,0,0,0,0|1,0,1]=3 462 B6R0.4 CCSCC(C)C TS04752 [0,1,0,0,0,0|1,1,1]=4 463 B6R0.4 CN(C)C=CC=O TS02738 [0,1,0,0,0,0|2,0,0]=3 464 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,1,0,0,0,0|3,0,0]=4 465 B6R0.5 C(C=O)C(F)(F)F TS65720 [0,1,0,0,0,0|3,0,0]=4 466 B6R0.5 CC#CC(C)(C)C TS31388 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.5 CC#CC(C)(C)O TS31434 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.5 CC(C)(C)CC#N TS31407 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.5 CC(C)(C)CC=O TS65730 [0,1,0,0,0,0|1,0,0]=2 470 B6R0.5 CC(C)(C)CCBr TS46921 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.5 CC(C)(C)CCCl TS04845 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.5 CC(C)(C)CCI TS44107 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.5 CC(C)(C)CCN TS03928 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.5 CC(C)(C)CCO TS03966 [0,1,0,0,0,0|1,0,2]=4 475 B6R0.5 CC(C)(C)C[Mg]Cl TS36576 [0,1,0,0,0,0|3,0,0]=4 476 B6R0.5 CC(C)(C)N=C=O TS01706 [0,1,0,0,0,0|1,0,1]=3 477 B6R0.5 CC(C)(C)N=C=S TS04547 [0,1,0,0,0,0|1,1,1]=4 478 B6R0.5 CC(C)(C)NC=O TS03906 [0,1,0,0,0,0|1,0,0]=2 479 B6R0.5 CC(C)(C)OC=C TS31510 [0,1,0,0,0,0|1,0,0]=2 480 B6R0.5 CC(C)(C)OC=O TS03940 [0,1,0,0,0,0|0,0,0]=1 481 B6R0.5 CC(C)(C)ON=O TS00092 [0,1,0,0,0,0|1,0,0]=2 482 B6R0.5 CC(C)(CC#N)O TS03817 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.5 CC(C)(CC=C)O TS31516 [0,1,0,0,0,0|2,0,0]=3 484 B6R0.5 CC(C)(CCBr)Br TS52926 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.5 CC(C)(CCCl)Cl TS06551 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.5 CC(C)(CCO)O TS04031 [0,1,0,0,0,0|1,0,2]=4 487 B6R0.5 CC(C)(CCO)S TS32431 [0,1,0,0,0,0|1,0,2]=4 488 B6R0.5 CC(C)(COC)O TS04041 [0,1,0,0,0,0|3,0,0]=4 489 B6R0.5 CC=NC(C)(C)C TS03832 [0,1,0,0,0,0|2,0,0]=3 490 B6R0.5 CCCC(C)(C)Br TS42852 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.5 CCCC(C)(C)C TS03883 [0,1,0,0,0,0|2,0,1]=4 492 B6R0.5 CCCC(C)(C)Cl TS04846 [0,1,0,0,0,0|2,0,1]=4 493 B6R0.5 CCCC(C)(C)O TS31616 [0,1,0,0,0,0|2,0,1]=4 494 B6R0.5 CCCC(C)(C)S TS04754 [0,1,0,0,0,0|2,0,1]=4 495 B6R0.5 CCNC(C)(C)C TS03917 [0,1,0,0,0,0|2,0,1]=4 496 B6R0.5 CCOC(C)(C)C TS03970 [0,1,0,0,0,0|1,0,1]=3 497 B6R0.5 CCO[Si](C)(C)C TS04757 [0,1,0,0,0,0|1,1,1]=4 498 B6R0.5 CCSC(C)(C)C TS04748 [0,1,0,0,0,0|1,1,1]=4 499 B6R0.5 C[Ge](C)(C)CC=C TS42007 [0,1,0,0,0,0|2,1,0]=4 500 B6R0.5 C[N+](C)(C)CC=C TS06028 [0,1,0,0,0,0|3,0,0]=4 501 B6R0.5 C[N+](C)(C)CC=C TS14509 [0,1,0,0,0,0|3,0,0]=4 502 B6R0.5 C[N+](C)(C)CC=O TS31608 [0,1,0,0,0,0|2,0,0]=3 503 B6R0.5 C[Si](C)(C)C=CBr TS14360 [0,1,0,0,0,0|2,1,0]=4 504 B6R0.5 C[Si](C)(C)CC=C TS32124 [0,1,0,0,0,0|2,1,0]=4 505 B6R0.5 C[Si](C)(C)OC=C TS94790 [0,1,0,0,0,0|1,1,0]=3 506 B6R0.5 C[Si](C)(CC=C)Cl TS36894 [0,1,0,0,0,0|2,1,0]=4 507 B6R0.5 C[Sn](C)(C)CC=C TS38731 [0,1,0,0,0,0|3,0,0]=4 508 B6R1.2 C1C=CCC1N TS04803 [0,0,0,1,0,0|3,0,0]=4 509 B6R1.2 C1C=CCC1O TS71171 [0,0,0,1,0,0|3,0,0]=4 510 B6R1.2 C1CC(C=C1)Cl TS31621 [0,0,0,1,0,0|3,0,0]=4 511 B6R1.2 C1CC(OC1)N TS03559 [0,0,0,1,0,0|2,0,1]=4 512 B6R1.2 CC1CCCC1 TS22155 [0,0,0,1,0,0|2,0,1]=4 513 B6R1.2 CC1CCCC1 TS22325 [0,0,0,1,0,0|2,0,1]=4 514 B6R1.2 CC1CCCC1 TS31194 [0,0,0,1,0,0|2,0,1]=4 515 B6R1.2 CC1CCCC1 TS69413 [0,0,0,1,0,0|2,0,1]=4 516 B6R1.2 CC1CCCC1 TS77214 [0,0,0,1,0,0|2,0,1]=4 517 B6R1.2 CC1CCCC1 TS77590 [0,0,0,1,0,0|2,0,1]=4 518 B6R1.2 CC1CCCN1 TS03512 [0,0,0,1,0,0|2,0,1]=4 519 B6R1.2 CC1CCCO1 TS71748 [0,0,0,1,0,0|1,0,1]=3 520 B6R1.2 CC1CCCS1 TS03982 [0,0,0,1,0,0|1,1,1]=4 521 B6R1.2 CC1CCNC1 TS04878 [0,0,0,1,0,0|2,0,1]=4 522 B6R1.2 CC1CCOC1 TS71755 [0,0,0,1,0,0|1,0,2]=4 523 B6R1.2 CC1CCSC1 TS03984 [0,0,0,1,0,0|1,1,1]=4 524 B6R1.2 CC1COCO1 TS03579 [0,0,0,1,0,0|0,0,2]=3 525 B6R1.2 CC1OCCO1 TS03576 [0,0,0,1,0,0|2,0,1]=4 526 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,0,0,1,0,0|2,0,1]=4 527 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,1,0,0|2,0,1]=4 528 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,1,0,0|2,0,1]=4 529 B6R1.2 C[C@H]1CCNC1 TS04879 [0,0,0,1,0,0|2,0,1]=4 530 B6R1.2 Cc1ccco1 TS03463 [0,0,0,1,0,0|1,0,2]=4 531 B6R1.3 C1CC1CC#N TS03449 [0,0,0,1,0,0|2,0,1]=4 532 B6R1.3 C1CC1CCN TS85780 [0,0,0,1,0,0|2,0,1]=4 533 B6R1.3 C1CC1CCO TS00981 [0,0,0,1,0,0|1,0,2]=4 534 B6R1.3 C1CC1CNN TS90736 [0,0,0,1,0,0|3,0,0]=4 535 B6R1.3 C1CC1N=C=S TS55841 [0,0,0,1,0,0|1,1,1]=4 536 B6R1.5 C1C(CC1=O)Br TS90589 [0,0,0,1,0,0|2,0,0]=3 537 B6R1.5 C1C(CC1=O)F TS92277 [0,0,0,1,0,0|2,0,0]=3 538 B6R1.5 C1C(CC1=O)N TS88191 [0,0,0,1,0,0|2,0,0]=3 539 B6R1.5 C=C1CC(=O)O1 TS55716 [0,0,0,1,0,0|0,0,2]=3 540 B6R1.5 CC1CC(=O)N1 TS71735 [0,0,0,1,0,0|1,0,0]=2 541 B6R1.8 CC1CC1CO TS71767 [0,0,0,1,0,0|1,0,2]=4 542 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,0,1,0,0|2,0,1]=4 543 B6R1.9 CC1C(O1)(C)C TS71757 [0,0,0,1,0,0|1,0,1]=3 544 B6R1.9 CC1CC1(C)C TS71716 [0,0,0,1,0,0|2,0,1]=4 545 B6R1.10 CC1(CNC1)C TS92077 [0,0,0,1,0,0|3,0,0]=4 546 B6R1.11 CC(C)C1CC1 TS71711 [0,0,0,1,0,0|2,0,1]=4 547 B3R0.1 C#CC=O TS65569 [2,0,0,0,0,0|0,0,2]=4 548 B3R0.1 C(=O)C=O TS02414 [2,0,0,0,0,0|1,0,1]=4 549 B3R0.1 C(=O)C=O TS73473 [2,0,0,0,0,0|1,0,1]=4 550 B3R0.1 C(=O)NN TS02435 [2,0,0,0,0,0|2,0,0]=4 551 B3R0.1 C(=O)OO TS65600 [2,0,0,0,0,0|1,0,0]=3 552 B3R0.1 C(C=O)Cl TS15061 [2,0,0,0,0,0|1,0,0]=3 553 B3R0.1 C(C=O)Cl TS71651 [2,0,0,0,0,0|1,0,0]=3 554 B3R0.1 C(C=O)O TS02433 [2,0,0,0,0,0|1,0,0]=3 555 B3R0.1 C=CC=O TS33215 [2,0,0,0,0,0|0,0,2]=4 556 B3R0.1 C=CCBr TS39710 [2,0,0,0,0,0|2,0,0]=4 557 B3R0.1 C=CCCl TS03413 [2,0,0,0,0,0|2,0,0]=4 558 B3R0.1 C=CCF TS65583 [2,0,0,0,0,0|2,0,0]=4 559 B3R0.1 C=CCI TS93895 [2,0,0,0,0,0|2,0,0]=4 560 B3R0.1 C=CCN TS01644 [2,0,0,0,0,0|2,0,0]=4 561 B3R0.1 C=CCO TS02418 [2,0,0,0,0,0|2,0,0]=4 562 B3R0.1 C=CCS TS71619 [2,0,0,0,0,0|2,0,0]=4 563 B3R0.1 CC=C=C TS65572 [2,0,0,0,0,0|1,0,1]=4 564 B3R0.1 CC=CBr TS00041 [2,0,0,0,0,0|1,0,1]=4 565 B3R0.1 CC=CCl TS03412 [2,0,0,0,0,0|1,0,1]=4 566 B3R0.1 CC=CCl TS03414 [2,0,0,0,0,0|1,0,1]=4 567 B3R0.1 CCC#C TS65570 [2,0,0,0,0,0|1,0,1]=4 568 B3R0.1 CCC#N TS65577 [2,0,0,0,0,0|1,0,1]=4 569 B3R0.1 CCC=C TS02407 [2,0,0,0,0,0|1,0,0]=3 570 B3R0.1 CCC=O TS02416 [2,0,0,0,0,0|0,0,0]=2 571 B3R0.1 CCC=S TS71851 [2,0,0,0,0,0|0,1,0]=3 572 B3R0.1 CCCBr TS00040 [2,0,0,0,0,0|1,0,1]=4 573 B3R0.1 CCCCl TS71653 [2,0,0,0,0,0|1,0,1]=4 574 B3R0.1 CCCF TS65692 [2,0,0,0,0,0|1,0,1]=4 575 B3R0.1 CCCI TS45076 [2,0,0,0,0,0|1,0,1]=4 576 B3R0.1 CCCN TS02429 [2,0,0,0,0,0|1,0,1]=4 577 B3R0.1 CCCN TS03705 [2,0,0,0,0,0|1,0,1]=4 578 B3R0.1 CCCS TS03410 [2,0,0,0,0,0|0,1,1]=4 579 B3R0.1 CCC[O-] TS03458 [2,0,0,0,0,0|0,0,2]=4 580 B3R0.1 CCC[O-] TS37676 [2,0,0,0,0,0|0,0,2]=4 581 B3R0.1 CCC[O-] TS56091 [2,0,0,0,0,0|0,0,2]=4 582 B3R0.1 CCC[S-] TS03782 [2,0,0,0,0,0|0,1,1]=4 583 B3R0.1 CCNC TS03706 [2,0,0,0,0,0|1,0,1]=4 584 B3R0.1 CCNC TS16623 [2,0,0,0,0,0|1,0,1]=4 585 B3R0.1 CCNO TS64941 [2,0,0,0,0,0|1,0,1]=4 586 B3R0.1 CCOC TS65588 [2,0,0,0,0,0|0,0,1]=3 587 B3R0.1 CCON TS31411 [2,0,0,0,0,0|1,0,0]=3 588 B3R0.1 CCSC TS71648 [2,0,0,0,0,0|0,1,1]=4 589 B3R0.1 CC[Hg]Cl TS30124 [2,0,0,0,0,0|2,0,0]=4 590 B3R0.1 CC[Mg]Br TS36790 [2,0,0,0,0,0|2,0,0]=4 591 B3R0.1 CC[Mg]I TS93021 [2,0,0,0,0,0|2,0,0]=4 592 B3R0.1 CNC=O TS39915 [2,0,0,0,0,0|1,0,0]=3 593 B3R0.1 CNOC TS01578 [2,0,0,0,0,0|1,0,1]=4 594 B3R0.1 COC=C TS02419 [2,0,0,0,0,0|1,0,0]=3 595 B3R0.1 COC=O TS02434 [2,0,0,0,0,0|0,0,0]=2 596 B3R0.1 COCBr TS36040 [2,0,0,0,0,0|1,0,1]=4 597 B3R0.1 COCCl TS56228 [2,0,0,0,0,0|1,0,1]=4 598 B3R0.1 COCI TS13091 [2,0,0,0,0,0|1,0,1]=4 599 B3R0.2 B(C)(C)C TS02403 [2,0,0,0,0,0|1,0,1]=4 600 B3R0.2 B(C)(O)O TS56314 [2,0,0,0,0,0|2,0,0]=4 601 B3R0.2 CC(=C)Br TS04851 [2,0,0,0,0,0|1,0,1]=4 602 B3R0.2 CC(=C)C TS02408 [2,0,0,0,0,0|0,0,1]=3 603 B3R0.2 CC(=C)C TS12599 [2,0,0,0,0,0|0,0,1]=3 604 B3R0.2 CC(=C)F TS65582 [2,0,0,0,0,0|1,0,1]=4 605 B3R0.2 CC(=C)I TS43297 [2,0,0,0,0,0|1,0,1]=4 606 B3R0.2 CC(=O)Br TS32543 [2,0,0,0,0,0|1,0,1]=4 607 B3R0.2 CC(=O)C TS02420 [2,0,0,0,0,0|0,0,1]=3 608 B3R0.2 CC(=O)C TS42396 [2,0,0,0,0,0|0,0,1]=3 609 B3R0.2 CC(=O)Cl TS71652 [2,0,0,0,0,0|1,0,1]=4 610 B3R0.2 CC(=O)F TS65601 [2,0,0,0,0,0|1,0,1]=4 611 B3R0.2 CC(=O)I TS45073 [2,0,0,0,0,0|1,0,1]=4 612 B3R0.2 CC(=O)N TS02426 [2,0,0,0,0,0|1,0,1]=4 613 B3R0.2 CC(=O)O TS02283 [2,0,0,0,0,0|1,0,1]=4 614 B3R0.2 CC(=O)O TS02432 [2,0,0,0,0,0|1,0,1]=4 615 B3R0.2 CC(=O)O TS06643 [2,0,0,0,0,0|1,0,1]=4 616 B3R0.2 CC(=O)O TS08541 [2,0,0,0,0,0|1,0,1]=4 617 B3R0.2 CC(=O)O TS32397 [2,0,0,0,0,0|1,0,1]=4 618 B3R0.2 CC(=O)O TS65594 [2,0,0,0,0,0|1,0,1]=4 619 B3R0.2 CC(=O)[O-] TS00235 [2,0,0,0,0,0|1,0,1]=4 620 B3R0.2 CC(=O)[O-] TS01392 [2,0,0,0,0,0|1,0,1]=4 621 B3R0.2 CC(=O)[O-] TS03418 [2,0,0,0,0,0|1,0,1]=4 622 B3R0.2 CC(=O)[O-] TS03456 [2,0,0,0,0,0|1,0,1]=4 623 B3R0.2 CC(=O)[O-] TS04787 [2,0,0,0,0,0|1,0,1]=4 624 B3R0.2 CC(=O)[O-] TS04947 [2,0,0,0,0,0|1,0,1]=4 625 B3R0.2 CC(=O)[O-] TS06035 [2,0,0,0,0,0|1,0,1]=4 626 B3R0.2 CC(=O)[O-] TS13953 [2,0,0,0,0,0|1,0,1]=4 627 B3R0.2 CC(=O)[O-] TS18902 [2,0,0,0,0,0|1,0,1]=4 628 B3R0.2 CC(=O)[O-] TS26452 [2,0,0,0,0,0|1,0,1]=4 629 B3R0.2 CC(=O)[O-] TS27546 [2,0,0,0,0,0|1,0,1]=4 630 B3R0.2 CC(=O)[O-] TS29951 [2,0,0,0,0,0|1,0,1]=4 631 B3R0.2 CC(=O)[O-] TS38928 [2,0,0,0,0,0|1,0,1]=4 632 B3R0.2 CC(=O)[O-] TS41886 [2,0,0,0,0,0|1,0,1]=4 633 B3R0.2 CC(=O)[O-] TS43176 [2,0,0,0,0,0|1,0,1]=4 634 B3R0.2 CC(=O)[O-] TS45710 [2,0,0,0,0,0|1,0,1]=4 635 B3R0.2 CC(=O)[O-] TS49663 [2,0,0,0,0,0|1,0,1]=4 636 B3R0.2 CC(=O)[O-] TS55806 [2,0,0,0,0,0|1,0,1]=4 637 B3R0.2 CC(=O)[O-] TS58868 [2,0,0,0,0,0|1,0,1]=4 638 B3R0.2 CC(=O)[O-] TS59815 [2,0,0,0,0,0|1,0,1]=4 639 B3R0.2 CC(=O)[O-] TS62641 [2,0,0,0,0,0|1,0,1]=4 640 B3R0.2 CC(=O)[O-] TS62666 [2,0,0,0,0,0|1,0,1]=4 641 B3R0.2 CC(=O)[O-] TS63478 [2,0,0,0,0,0|1,0,1]=4 642 B3R0.2 CC(=O)[O-] TS64101 [2,0,0,0,0,0|1,0,1]=4 643 B3R0.2 CC(=O)[O-] TS65998 [2,0,0,0,0,0|1,0,1]=4 644 B3R0.2 CC(=O)[O-] TS69697 [2,0,0,0,0,0|1,0,1]=4 645 B3R0.2 CC(=O)[O-] TS69754 [2,0,0,0,0,0|1,0,1]=4 646 B3R0.2 CC(=O)[O-] TS69943 [2,0,0,0,0,0|1,0,1]=4 647 B3R0.2 CC(=O)[O-] TS72196 [2,0,0,0,0,0|1,0,1]=4 648 B3R0.2 CC(=O)[O-] TS73462 [2,0,0,0,0,0|1,0,1]=4 649 B3R0.2 CC(=O)[O-] TS73694 [2,0,0,0,0,0|1,0,1]=4 650 B3R0.2 CC(=O)[O-] TS76815 [2,0,0,0,0,0|1,0,1]=4 651 B3R0.2 CC(=O)[O-] TS77303 [2,0,0,0,0,0|1,0,1]=4 652 B3R0.2 CC(=O)[O-] TS78087 [2,0,0,0,0,0|1,0,1]=4 653 B3R0.2 CC(=O)[O-] TS78184 [2,0,0,0,0,0|1,0,1]=4 654 B3R0.2 CC(=O)[O-] TS78238 [2,0,0,0,0,0|1,0,1]=4 655 B3R0.2 CC(=O)[O-] TS78451 [2,0,0,0,0,0|1,0,1]=4 656 B3R0.2 CC(=O)[O-] TS78756 [2,0,0,0,0,0|1,0,1]=4 657 B3R0.2 CC(=O)[O-] TS78836 [2,0,0,0,0,0|1,0,1]=4 658 B3R0.2 CC(=O)[O-] TS79224 [2,0,0,0,0,0|1,0,1]=4 659 B3R0.2 CC(=O)[O-] TS79279 [2,0,0,0,0,0|1,0,1]=4 660 B3R0.2 CC(=O)[O-] TS79965 [2,0,0,0,0,0|1,0,1]=4 661 B3R0.2 CC(=O)[O-] TS80560 [2,0,0,0,0,0|1,0,1]=4 662 B3R0.2 CC(=O)[O-] TS81725 [2,0,0,0,0,0|1,0,1]=4 663 B3R0.2 CC(=O)[O-] TS82231 [2,0,0,0,0,0|1,0,1]=4 664 B3R0.2 CC(=O)[O-] TS93749 [2,0,0,0,0,0|1,0,1]=4 665 B3R0.2 CC(=O)[O-] TS94725 [2,0,0,0,0,0|1,0,1]=4 666 B3R0.2 CC(=O)[O-] TS94733 [2,0,0,0,0,0|1,0,1]=4 667 B3R0.2 CC(=S)O TS71644 [2,0,0,0,0,0|1,0,1]=4 668 B3R0.2 CC(Br)Br TS15883 [2,0,0,0,0,0|2,0,0]=4 669 B3R0.2 CC(C)Br TS00860 [2,0,0,0,0,0|1,0,0]=3 670 B3R0.2 CC(C)C TS02421 [2,0,0,0,0,0|0,0,1]=3 671 B3R0.2 CC(C)Cl TS00076 [2,0,0,0,0,0|1,0,0]=3 672 B3R0.2 CC(C)F TS02440 [2,0,0,0,0,0|1,0,0]=3 673 B3R0.2 CC(C)N TS01924 [2,0,0,0,0,0|1,0,0]=3 674 B3R0.2 CC(C)O TS65587 [2,0,0,0,0,0|0,0,0]=2 675 B3R0.2 CC(C)S TS03409 [2,0,0,0,0,0|0,1,0]=3 676 B3R0.2 CC(C)[O-] TS00285 [2,0,0,0,0,0|0,0,1]=3 677 B3R0.2 CC(C)[O-] TS01956 [2,0,0,0,0,0|0,0,1]=3 678 B3R0.2 CC(C)[O-] TS03787 [2,0,0,0,0,0|0,0,1]=3 679 B3R0.2 CC(C)[O-] TS11045 [2,0,0,0,0,0|0,0,1]=3 680 B3R0.2 CC(C)[O-] TS24723 [2,0,0,0,0,0|0,0,1]=3 681 B3R0.2 CC(C)[O-] TS25988 [2,0,0,0,0,0|0,0,1]=3 682 B3R0.2 CC(C)[O-] TS29590 [2,0,0,0,0,0|0,0,1]=3 683 B3R0.2 CC(C)[O-] TS50088 [2,0,0,0,0,0|0,0,1]=3 684 B3R0.2 CC(C)[O-] TS56090 [2,0,0,0,0,0|0,0,1]=3 685 B3R0.2 CC(C)[O-] TS57337 [2,0,0,0,0,0|0,0,1]=3 686 B3R0.2 CC(C)[O-] TS60765 [2,0,0,0,0,0|0,0,1]=3 687 B3R0.2 CC(C)[O-] TS61265 [2,0,0,0,0,0|0,0,1]=3 688 B3R0.2 CC(C)[O-] TS61382 [2,0,0,0,0,0|0,0,1]=3 689 B3R0.2 CC(C)[O-] TS62375 [2,0,0,0,0,0|0,0,1]=3 690 B3R0.2 CC(C)[O-] TS63485 [2,0,0,0,0,0|0,0,1]=3 691 B3R0.2 CC(C)[O-] TS63487 [2,0,0,0,0,0|0,0,1]=3 692 B3R0.2 CC(C)[O-] TS63938 [2,0,0,0,0,0|0,0,1]=3 693 B3R0.2 CC(C)[O-] TS66142 [2,0,0,0,0,0|0,0,1]=3 694 B3R0.2 CC(C)[O-] TS67052 [2,0,0,0,0,0|0,0,1]=3 695 B3R0.2 CC(C)[O-] TS72330 [2,0,0,0,0,0|0,0,1]=3 696 B3R0.2 CC(C)[O-] TS77323 [2,0,0,0,0,0|0,0,1]=3 697 B3R0.2 CC(C)[O-] TS78714 [2,0,0,0,0,0|0,0,1]=3 698 B3R0.2 CC(C)[O-] TS79015 [2,0,0,0,0,0|0,0,1]=3 699 B3R0.2 CC(C)[O-] TS79109 [2,0,0,0,0,0|0,0,1]=3 700 B3R0.2 CC(C)[S-] TS03781 [2,0,0,0,0,0|0,1,0]=3 701 B3R0.2 CC(Cl)Br TS06900 [2,0,0,0,0,0|2,0,0]=4 702 B3R0.2 CC(Cl)Cl TS31461 [2,0,0,0,0,0|2,0,0]=4 703 B3R0.2 CC(F)Cl TS71693 [2,0,0,0,0,0|2,0,0]=4 704 B3R0.2 CC(F)F TS02706 [2,0,0,0,0,0|2,0,0]=4 705 B3R0.2 CN(C)C TS02428 [2,0,0,0,0,0|1,0,1]=4 706 B3R0.2 CN(C)C TS03598 [2,0,0,0,0,0|1,0,1]=4 707 B3R0.2 CN(C)C TS04077 [2,0,0,0,0,0|1,0,1]=4 708 B3R0.2 CN(C)C TS37301 [2,0,0,0,0,0|1,0,1]=4 709 B3R0.2 CN(C)N TS03741 [2,0,0,0,0,0|2,0,0]=4 710 B3R0.2 CN(C)N TS34594 [2,0,0,0,0,0|2,0,0]=4 711 B3R0.2 CN(C)O TS31413 [2,0,0,0,0,0|1,0,0]=3 712 B3R0.2 CP(C)C TS71641 [2,0,0,0,0,0|1,0,1]=4 713 B3R0.2 CP(C)C TS76280 [2,0,0,0,0,0|1,0,1]=4 714 B3R0.2 CP(C)Cl TS03739 [2,0,0,0,0,0|2,0,0]=4 715 B3R0.2 CS(=O)[O-] TS93511 [2,0,0,0,0,0|2,0,0]=4 716 B3R0.2 C[Al](C)C TS71595 [2,0,0,0,0,0|1,0,1]=4 717 B3R0.2 C[As](C)C TS32403 [2,0,0,0,0,0|1,0,1]=4 718 B3R0.2 C[As](C)I TS25149 [2,0,0,0,0,0|2,0,0]=4 719 B3R0.2 C[Bi](C)C TS28559 [2,0,0,0,0,0|1,0,1]=4 720 B3R0.2 C[Ga](C)C TS32132 [2,0,0,0,0,0|1,0,1]=4 721 B3R0.2 C[GeH](C)C TS04775 [2,0,0,0,0,0|0,1,1]=4 722 B3R0.2 C[In](C)C TS11202 [2,0,0,0,0,0|1,0,1]=4 723 B3R0.2 C[N+](=C)C TS15411 [2,0,0,0,0,0|1,0,0]=3 724 B3R0.2 C[N+](=O)[O-] TS65593 [2,0,0,0,0,0|2,0,0]=4 725 B3R0.2 C[S+](C)C TS10818 [2,0,0,0,0,0|1,0,1]=4 726 B3R0.2 C[S+](C)C TS59468 [2,0,0,0,0,0|1,0,1]=4 727 B3R0.2 C[Sb](C)C TS43174 [2,0,0,0,0,0|1,0,1]=4 728 B3R0.2 C[SiH](C)C TS71620 [2,0,0,0,0,0|0,1,1]=4 729 B3R0.2 C[SiH](C)Cl TS31361 [2,0,0,0,0,0|1,1,0]=4 730 B3R0.2 C[SiH](C)F TS71650 [2,0,0,0,0,0|1,1,0]=4 731 B3R0.2 C[Sn+](C)C TS59840 [2,0,0,0,0,0|1,0,1]=4 732 B3R0.2 C[Sn](=O)C TS42834 [2,0,0,0,0,0|1,0,0]=3 733 B3R0.2 C[Sn](=S)C TS14707 [2,0,0,0,0,0|1,1,0]=4 734 B5R0.3 C(=O)C(C=O)Br TS00849 [1,1,0,0,0,0|1,0,1]=4 735 B5R0.3 C(=O)C(C=O)Cl TS31730 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.3 C(=O)C(C=O)F TS03615 [1,1,0,0,0,0|1,0,1]=4 737 B5R0.3 C(C(C=O)O)O TS47844 [1,1,0,0,0,0|1,0,0]=3 738 B5R0.3 C([C@@H](C=O)O)O TS03618 [1,1,0,0,0,0|1,0,0]=3 739 B5R0.3 C([C@@H](C=O)O)O TS08118 [1,1,0,0,0,0|1,0,0]=3 740 B5R0.3 C([C@H](C=O)O)O TS07853 [1,1,0,0,0,0|1,0,0]=3 741 B5R0.3 C=CC(CBr)O TS40965 [1,1,0,0,0,0|2,0,0]=4 742 B5R0.3 C=CC(CO)O TS03577 [1,1,0,0,0,0|2,0,0]=4 743 B5R0.3 C=C[C@@H](CO)N TS04992 [1,1,0,0,0,0|2,0,0]=4 744 B5R0.3 C=C[C@@H](CO)O TS03582 [1,1,0,0,0,0|2,0,0]=4 745 B5R0.3 C=C[C@H](CO)N TS04990 [1,1,0,0,0,0|2,0,0]=4 746 B5R0.3 C=C[C@H](CO)O TS03583 [1,1,0,0,0,0|2,0,0]=4 747 B5R0.3 CC(=CN)C=O TS07741 [1,1,0,0,0,0|0,0,2]=4 748 B5R0.3 CC(C#C)NC TS71701 [1,1,0,0,0,0|1,0,1]=4 749 B5R0.3 CC(C=C)C#N TS03444 [1,1,0,0,0,0|1,0,1]=4 750 B5R0.3 CC(C=C)[Mg]Cl TS32133 [1,1,0,0,0,0|2,0,0]=4 751 B5R0.3 CC(CCl)CBr TS00026 [1,1,0,0,0,0|1,0,1]=4 752 B5R0.3 CC(CO)C=C TS71745 [1,1,0,0,0,0|1,0,0]=3 753 B5R0.3 CC(CO)CO TS71833 [1,1,0,0,0,0|0,0,2]=4 754 B5R0.3 CC(OC)OC TS71840 [1,1,0,0,0,0|0,0,1]=3 755 B5R0.3 CC([Se]C)[Se]C TS44785 [1,1,0,0,0,0|0,1,1]=4 756 B5R0.3 CC=C(C)C=C TS03466 [1,1,0,0,0,0|1,0,1]=4 757 B5R0.3 CC=C(C)C=C TS71680 [1,1,0,0,0,0|1,0,1]=4 758 B5R0.3 CC=C(C)C=O TS03488 [1,1,0,0,0,0|0,0,1]=3 759 B5R0.3 CC=C(C=O)Cl TS04052 [1,1,0,0,0,0|1,0,1]=4 760 B5R0.3 CCC(=O)C=O TS03524 [1,1,0,0,0,0|1,0,1]=4 761 B5R0.3 CCC(C)C#C TS03468 [1,1,0,0,0,0|1,0,1]=4 762 B5R0.3 CCC(C)C=O TS03536 [1,1,0,0,0,0|0,0,0]=2 763 B5R0.3 CCC(C)CBr TS09987 [1,1,0,0,0,0|1,0,1]=4 764 B5R0.3 CCC(C)CC TS03546 [1,1,0,0,0,0|1,0,1]=4 765 B5R0.3 CCC(C)CCl TS31746 [1,1,0,0,0,0|1,0,1]=4 766 B5R0.3 CCC(C)CI TS18546 [1,1,0,0,0,0|1,0,1]=4 767 B5R0.3 CCC(C)CN TS71788 [1,1,0,0,0,0|1,0,1]=4 768 B5R0.3 CCC(C)CO TS03593 [1,1,0,0,0,0|0,0,2]=4 769 B5R0.3 CCC(C)CS TS31698 [1,1,0,0,0,0|0,1,1]=4 770 B5R0.3 CCC(C)NC TS04995 [1,1,0,0,0,0|1,0,1]=4 771 B5R0.3 CCC(C)NC TS71785 [1,1,0,0,0,0|1,0,1]=4 772 B5R0.3 CCC(C)OC TS71803 [1,1,0,0,0,0|0,0,1]=3 773 B5R0.3 CCC(C)ON TS36089 [1,1,0,0,0,0|1,0,0]=3 774 B5R0.3 CCC(C)SC TS31697 [1,1,0,0,0,0|0,1,1]=4 775 B5R0.3 CCC(C)[Mg]Br TS11456 [1,1,0,0,0,0|2,0,0]=4 776 B5R0.3 CCC(C)[Mg]Cl TS32262 [1,1,0,0,0,0|2,0,0]=4 777 B5R0.3 CCC(C=C)O TS71760 [1,1,0,0,0,0|2,0,0]=4 778 B5R0.3 CCN(C)N=O TS03588 [1,1,0,0,0,0|2,0,0]=4 779 B5R0.3 CC[C@H](C)C#N TS71705 [1,1,0,0,0,0|1,0,1]=4 780 B5R0.3 CC[C@H](C)CBr TS39655 [1,1,0,0,0,0|1,0,1]=4 781 B5R0.3 CC[C@H](C)CCl TS31744 [1,1,0,0,0,0|1,0,1]=4 782 B5R0.3 COC(=O)C=O TS65230 [1,1,0,0,0,0|1,0,1]=4 783 B5R0.3 CO[SiH](C)OC TS04108 [1,1,0,0,0,0|0,1,1]=4 784 B5R0.3 C[C@@H](CO)CBr TS10268 [1,1,0,0,0,0|0,0,2]=4 785 B5R0.3 C[C@H](CO)CBr TS10271 [1,1,0,0,0,0|0,0,2]=4 786 B5R0.4 C(=O)C(Br)(Br)Br TS34263 [1,1,0,0,0,0|2,0,0]=4 787 B5R0.4 C(=O)C(Cl)(Cl)Cl TS65202 [1,1,0,0,0,0|2,0,0]=4 788 B5R0.4 C(=O)C(F)(F)Cl TS36727 [1,1,0,0,0,0|2,0,0]=4 789 B5R0.4 C(=O)C(F)(F)F TS47107 [1,1,0,0,0,0|2,0,0]=4 790 B5R0.4 CC(C)(C#C)Cl TS00139 [1,1,0,0,0,0|1,0,1]=4 791 B5R0.4 CC(C)(C#C)N TS60199 [1,1,0,0,0,0|1,0,1]=4 792 B5R0.4 CC(C)(C#C)O TS01134 [1,1,0,0,0,0|1,0,1]=4 793 B5R0.4 CC(C)(C#N)N TS03500 [1,1,0,0,0,0|1,0,1]=4 794 B5R0.4 CC(C)(C#N)O TS39666 [1,1,0,0,0,0|1,0,1]=4 795 B5R0.4 CC(C)(C)C#C TS03471 [1,1,0,0,0,0|1,0,1]=4 796 B5R0.4 CC(C)(C)C=C TS71723 [1,1,0,0,0,0|1,0,0]=3 797 B5R0.4 CC(C)(C)C=O TS39621 [1,1,0,0,0,0|0,0,0]=2 798 B5R0.4 CC(C)(C)CBr TS09986 [1,1,0,0,0,0|1,0,1]=4 799 B5R0.4 CC(C)(C)CI TS18545 [1,1,0,0,0,0|1,0,1]=4 800 B5R0.4 CC(C)(C)CN TS48743 [1,1,0,0,0,0|1,0,1]=4 801 B5R0.4 CC(C)(C)CN TS71779 [1,1,0,0,0,0|1,0,1]=4 802 B5R0.4 CC(C)(C)CO TS71802 [1,1,0,0,0,0|0,0,2]=4 803 B5R0.4 CC(C)(C)N=C TS03511 [1,1,0,0,0,0|1,0,0]=3 804 B5R0.4 CC(C)(C)N=O TS45822 [1,1,0,0,0,0|1,0,0]=3 805 B5R0.4 CC(C)(C)NC TS71784 [1,1,0,0,0,0|1,0,1]=4 806 B5R0.4 CC(C)(C)NO TS03606 [1,1,0,0,0,0|1,0,1]=4 807 B5R0.4 CC(C)(C)NO TS36087 [1,1,0,0,0,0|1,0,1]=4 808 B5R0.4 CC(C)(C)OC TS00061 [1,1,0,0,0,0|0,0,1]=3 809 B5R0.4 CC(C)(C)ON TS36088 [1,1,0,0,0,0|1,0,0]=3 810 B5R0.4 CC(C)(C)OO TS71845 [1,1,0,0,0,0|0,0,1]=3 811 B5R0.4 CC(C)(C)SC TS31695 [1,1,0,0,0,0|0,1,1]=4 812 B5R0.4 CC(C)(C)[Mg]Cl TS32261 [1,1,0,0,0,0|2,0,0]=4 813 B5R0.4 CC(C)(C)[N+]#[C-] TS71703 [1,1,0,0,0,0|1,0,1]=4 814 B5R0.4 CC(C)(C=C)Cl TS04056 [1,1,0,0,0,0|1,0,0]=3 815 B5R0.4 CC(C)(C=C)O TS71761 [1,1,0,0,0,0|1,0,0]=3 816 B5R0.4 CC(C)(C=O)[O-] TS82002 [1,1,0,0,0,0|0,0,0]=2 817 B5R0.4 CC(C)(CBr)Br TS21964 [1,1,0,0,0,0|1,0,1]=4 818 B5R0.4 CC(C)(CBr)F TS10538 [1,1,0,0,0,0|1,0,1]=4 819 B5R0.4 CC(C)(CCl)Br TS13061 [1,1,0,0,0,0|1,0,1]=4 820 B5R0.4 CC(C)(CCl)O TS04161 [1,1,0,0,0,0|1,0,1]=4 821 B5R0.4 CC(C)(CF)N TS05291 [1,1,0,0,0,0|1,0,1]=4 822 B5R0.4 CC(C)(CN)N TS94127 [1,1,0,0,0,0|1,0,1]=4 823 B5R0.4 CC(C)(CO)N TS36086 [1,1,0,0,0,0|0,0,2]=4 824 B5R0.4 CC(C)(CO)O TS71839 [1,1,0,0,0,0|0,0,2]=4 825 B5R0.4 CCC(C)(C)C TS03545 [1,1,0,0,0,0|1,0,1]=4 826 B5R0.4 CCC(C)(C)F TS71847 [1,1,0,0,0,0|1,0,1]=4 827 B5R0.4 CCC(C)(C)I TS18551 [1,1,0,0,0,0|1,0,1]=4 828 B5R0.4 CCC(C)(C)N TS71778 [1,1,0,0,0,0|1,0,1]=4 829 B5R0.4 CCC(C)(C)O TS02090 [1,1,0,0,0,0|1,0,1]=4 830 B5R0.4 CCC(C)(C)S TS31694 [1,1,0,0,0,0|1,0,1]=4 831 B5R0.4 CCC(C)(C)[O-] TS31830 [1,1,0,0,0,0|1,0,1]=4 832 B5R0.4 CCC(C)(C)[O-] TS36175 [1,1,0,0,0,0|1,0,1]=4 833 B5R0.4 CCC(C)(C)[Zn+] TS49170 [1,1,0,0,0,0|1,0,1]=4 834 B5R0.4 CO[Si](C)(C)C TS31701 [1,1,0,0,0,0|0,1,1]=4 835 B5R0.4 CO[Si](C)(C)Cl TS36037 [1,1,0,0,0,0|0,1,1]=4 836 B5R0.4 C[Si](C)(C)C=C TS03889 [1,1,0,0,0,0|1,1,0]=4 837 B5R0.4 C[Si](C)(C)ON TS31713 [1,1,0,0,0,0|1,1,0]=4 838 B5R0.4 C[Si](C)(C=C)F TS31688 [1,1,0,0,0,0|1,1,0]=4 839 B5R0.4 [Li]CC(C)(C)C TS03430 [1,1,0,0,0,0|1,0,1]=4 840 B5R0.5 B(C(C)C)(O)O TS56191 [1,1,0,0,0,0|1,0,1]=4 841 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [1,1,0,0,0,0|2,0,0]=4 842 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [1,1,0,0,0,0|2,0,0]=4 843 B5R0.5 C(C(=O)Cl)(F)F TS32127 [1,1,0,0,0,0|2,0,0]=4 844 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [1,1,0,0,0,0|2,0,0]=4 845 B5R0.5 C(C(=O)F)(F)Cl TS32128 [1,1,0,0,0,0|2,0,0]=4 846 B5R0.5 C(C(=O)F)(F)F TS31418 [1,1,0,0,0,0|2,0,0]=4 847 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [1,1,0,0,0,0|2,0,0]=4 848 B5R0.5 C(C(=O)N)(F)Br TS41564 [1,1,0,0,0,0|2,0,0]=4 849 B5R0.5 C(C(=O)N)(F)Cl TS31896 [1,1,0,0,0,0|2,0,0]=4 850 B5R0.5 C(C(=O)N)(F)F TS03689 [1,1,0,0,0,0|2,0,0]=4 851 B5R0.5 C(C(=O)N)(F)I TS38361 [1,1,0,0,0,0|2,0,0]=4 852 B5R0.5 C(C(=O)O)(Br)Br TS22308 [1,1,0,0,0,0|2,0,0]=4 853 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [1,1,0,0,0,0|2,0,0]=4 854 B5R0.5 C(C(=O)O)(F)Cl TS31986 [1,1,0,0,0,0|2,0,0]=4 855 B5R0.5 C(C(=O)O)(F)F TS01438 [1,1,0,0,0,0|2,0,0]=4 856 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [1,1,0,0,0,0|2,0,0]=4 857 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [1,1,0,0,0,0|2,0,0]=4 858 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [1,1,0,0,0,0|2,0,0]=4 859 B5R0.5 C(C(=O)[O-])(F)F TS31570 [1,1,0,0,0,0|2,0,0]=4 860 B5R0.5 CC(=C(C)Br)C TS07531 [1,1,0,0,0,0|1,0,1]=4 861 B5R0.5 CC(=C(C)C)C TS71721 [1,1,0,0,0,0|1,0,1]=4 862 B5R0.5 CC(=C(C)[NH3+])C TS04005 [1,1,0,0,0,0|1,0,1]=4 863 B5R0.5 CC(=C)C(=O)C TS03485 [1,1,0,0,0,0|0,0,2]=4 864 B5R0.5 CC(=C)C(=O)Cl TS56226 [1,1,0,0,0,0|0,0,2]=4 865 B5R0.5 CC(=C)C(=O)F TS03570 [1,1,0,0,0,0|0,0,2]=4 866 B5R0.5 CC(=C)C(=O)N TS71737 [1,1,0,0,0,0|0,0,2]=4 867 B5R0.5 CC(=C)C(=O)O TS56224 [1,1,0,0,0,0|0,0,2]=4 868 B5R0.5 CC(=C)C(=O)[O-] TS03649 [1,1,0,0,0,0|0,0,2]=4 869 B5R0.5 CC(=C)C(=O)[O-] TS04134 [1,1,0,0,0,0|0,0,2]=4 870 B5R0.5 CC(=C)C(=O)[O-] TS17588 [1,1,0,0,0,0|0,0,2]=4 871 B5R0.5 CC(=C)C(=O)[O-] TS17954 [1,1,0,0,0,0|0,0,2]=4 872 B5R0.5 CC(=C)C(=O)[O-] TS20934 [1,1,0,0,0,0|0,0,2]=4 873 B5R0.5 CC(=C)C(=O)[O-] TS25799 [1,1,0,0,0,0|0,0,2]=4 874 B5R0.5 CC(=C)C(=O)[O-] TS35997 [1,1,0,0,0,0|0,0,2]=4 875 B5R0.5 CC(=C)C(=O)[O-] TS45223 [1,1,0,0,0,0|0,0,2]=4 876 B5R0.5 CC(=C)C(=O)[O-] TS60851 [1,1,0,0,0,0|0,0,2]=4 877 B5R0.5 CC(=C)C(=O)[O-] TS67081 [1,1,0,0,0,0|0,0,2]=4 878 B5R0.5 CC(=C)C(=O)[O-] TS68528 [1,1,0,0,0,0|0,0,2]=4 879 B5R0.5 CC(=C)C(=O)[O-] TS70135 [1,1,0,0,0,0|0,0,2]=4 880 B5R0.5 CC(=C)C(=O)[O-] TS78671 [1,1,0,0,0,0|0,0,2]=4 881 B5R0.5 CC(=O)C(=O)C TS03530 [1,1,0,0,0,0|1,0,1]=4 882 B5R0.5 CC(=O)C(=O)O TS71795 [1,1,0,0,0,0|1,0,1]=4 883 B5R0.5 CC(=O)C(=O)[O-] TS04176 [1,1,0,0,0,0|1,0,1]=4 884 B5R0.5 CC(=O)C(=O)[O-] TS36114 [1,1,0,0,0,0|1,0,1]=4 885 B5R0.5 CC(=O)C(=O)[O-] TS44476 [1,1,0,0,0,0|1,0,1]=4 886 B5R0.5 CC(=O)C(=O)[O-] TS71885 [1,1,0,0,0,0|1,0,1]=4 887 B5R0.5 CC(=O)C(Cl)Cl TS36198 [1,1,0,0,0,0|2,0,0]=4 888 B5R0.5 CC(=O)C(F)F TS03662 [1,1,0,0,0,0|2,0,0]=4 889 B5R0.5 CC(=O)C(O)O TS46028 [1,1,0,0,0,0|2,0,0]=4 890 B5R0.5 CC(=O)N(C)C TS03557 [1,1,0,0,0,0|1,0,0]=3 891 B5R0.5 CC(=S)N(C)C TS04015 [1,1,0,0,0,0|1,1,0]=4 892 B5R0.5 CC(C(=C)C)O TS71758 [1,1,0,0,0,0|2,0,0]=4 893 B5R0.5 CC(C(=O)Br)Br TS93904 [1,1,0,0,0,0|1,0,0]=3 894 B5R0.5 CC(C(=O)C)Br TS40972 [1,1,0,0,0,0|1,0,0]=3 895 B5R0.5 CC(C(=O)C)Cl TS31738 [1,1,0,0,0,0|1,0,0]=3 896 B5R0.5 CC(C(=O)C)F TS71828 [1,1,0,0,0,0|1,0,0]=3 897 B5R0.5 CC(C(=O)C)O TS03581 [1,1,0,0,0,0|1,0,0]=3 898 B5R0.5 CC(C(=O)C)S TS60015 [1,1,0,0,0,0|1,0,0]=3 899 B5R0.5 CC(C(=O)Cl)Br TS45375 [1,1,0,0,0,0|1,0,0]=3 900 B5R0.5 CC(C(=O)Cl)Cl TS36199 [1,1,0,0,0,0|1,0,0]=3 901 B5R0.5 CC(C(=O)N)Br TS10108 [1,1,0,0,0,0|1,0,0]=3 902 B5R0.5 CC(C(=O)N)Cl TS04116 [1,1,0,0,0,0|1,0,0]=3 903 B5R0.5 CC(C(=O)N)O TS71825 [1,1,0,0,0,0|1,0,0]=3 904 B5R0.5 CC(C(=O)O)Br TS10263 [1,1,0,0,0,0|1,0,0]=3 905 B5R0.5 CC(C(=O)O)Br TS41327 [1,1,0,0,0,0|1,0,0]=3 906 B5R0.5 CC(C(=O)O)Cl TS04158 [1,1,0,0,0,0|1,0,0]=3 907 B5R0.5 CC(C(=O)O)F TS02005 [1,1,0,0,0,0|1,0,0]=3 908 B5R0.5 CC(C(=O)O)N TS71826 [1,1,0,0,0,0|1,0,0]=3 909 B5R0.5 CC(C(=O)O)O TS03619 [1,1,0,0,0,0|1,0,0]=3 910 B5R0.5 CC(C(=O)O)O TS69796 [1,1,0,0,0,0|1,0,0]=3 911 B5R0.5 CC(C(=O)O)S TS04090 [1,1,0,0,0,0|1,0,0]=3 912 B5R0.5 CC(C(=O)[O-])O TS04267 [1,1,0,0,0,0|1,0,0]=3 913 B5R0.5 CC(C(=O)[O-])O TS21805 [1,1,0,0,0,0|1,0,0]=3 914 B5R0.5 CC(C(=O)[O-])O TS25875 [1,1,0,0,0,0|1,0,0]=3 915 B5R0.5 CC(C(=O)[O-])O TS49421 [1,1,0,0,0,0|1,0,0]=3 916 B5R0.5 CC(C(=O)[O-])O TS53785 [1,1,0,0,0,0|1,0,0]=3 917 B5R0.5 CC(C(=O)[O-])O TS60724 [1,1,0,0,0,0|1,0,0]=3 918 B5R0.5 CC(C(=O)[O-])O TS67922 [1,1,0,0,0,0|1,0,0]=3 919 B5R0.5 CC(C(=O)[O-])O TS82339 [1,1,0,0,0,0|1,0,0]=3 920 B5R0.5 CC(C(=O)[O-])O TS93633 [1,1,0,0,0,0|1,0,0]=3 921 B5R0.5 CC(C(=O)[O-])O TS94684 [1,1,0,0,0,0|1,0,0]=3 922 B5R0.5 CC(C(=O)[O-])O TS94690 [1,1,0,0,0,0|1,0,0]=3 923 B5R0.5 CC(C)C(=C)C TS71720 [1,1,0,0,0,0|1,0,0]=3 924 B5R0.5 CC(C)C(=N)N TS03540 [1,1,0,0,0,0|1,0,0]=3 925 B5R0.5 CC(C)C(=N)N TS32540 [1,1,0,0,0,0|1,0,0]=3 926 B5R0.5 CC(C)C(=O)Br TS40967 [1,1,0,0,0,0|0,0,0]=2 927 B5R0.5 CC(C)C(=O)C TS39716 [1,1,0,0,0,0|0,0,0]=2 928 B5R0.5 CC(C)C(=O)Cl TS31739 [1,1,0,0,0,0|0,0,0]=2 929 B5R0.5 CC(C)C(=O)F TS71829 [1,1,0,0,0,0|0,0,0]=2 930 B5R0.5 CC(C)C(=O)N TS01506 [1,1,0,0,0,0|0,0,0]=2 931 B5R0.5 CC(C)C(=O)O TS85221 [1,1,0,0,0,0|0,0,0]=2 932 B5R0.5 CC(C)C(=O)[O-] TS03660 [1,1,0,0,0,0|0,0,0]=2 933 B5R0.5 CC(C)C(=O)[O-] TS04185 [1,1,0,0,0,0|0,0,0]=2 934 B5R0.5 CC(C)C(=O)[O-] TS36146 [1,1,0,0,0,0|0,0,0]=2 935 B5R0.5 CC(C)C(=O)[O-] TS44540 [1,1,0,0,0,0|0,0,0]=2 936 B5R0.5 CC(C)C(C)Br TS08308 [1,1,0,0,0,0|1,0,1]=4 937 B5R0.5 CC(C)C(C)C TS03547 [1,1,0,0,0,0|1,0,1]=4 938 B5R0.5 CC(C)C(C)N TS71776 [1,1,0,0,0,0|1,0,1]=4 939 B5R0.5 CC(C)C(C)O TS03594 [1,1,0,0,0,0|0,0,2]=4 940 B5R0.5 CC(C)C(C)S TS31690 [1,1,0,0,0,0|0,1,1]=4 941 B5R0.5 CC(C)N(C)C TS71780 [1,1,0,0,0,0|1,0,1]=4 942 B5R0.5 CC(C)P(Cl)Cl TS07060 [1,1,0,0,0,0|2,0,0]=4 943 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [1,1,0,0,0,0|1,0,0]=3 944 B5R0.5 CC(C)[SiH](C)C TS03987 [1,1,0,0,0,0|1,0,1]=4 945 B5R0.5 CN(C)C(=N)N TS04993 [1,1,0,0,0,0|2,0,0]=4 946 B5R0.5 CN(C)C(=O)Cl TS04117 [1,1,0,0,0,0|1,0,0]=3 947 B5R0.5 CN(C)C(=O)N TS03592 [1,1,0,0,0,0|1,0,0]=3 948 B5R0.5 CN(C)C(=O)O TS05907 [1,1,0,0,0,0|1,0,0]=3 949 B5R0.5 CN(C)C(=S)Cl TS09052 [1,1,0,0,0,0|1,1,0]=4 950 B5R0.5 CN(C)C(=S)[S-] TS04874 [1,1,0,0,0,0|1,1,0]=4 951 B5R0.5 CN(C)C(=S)[S-] TS11177 [1,1,0,0,0,0|1,1,0]=4 952 B5R0.5 CN(C)C(=S)[S-] TS40093 [1,1,0,0,0,0|1,1,0]=4 953 B5R0.5 CN(C)C(=S)[S-] TS60533 [1,1,0,0,0,0|1,1,0]=4 954 B5R0.5 CN(C)C(=[Se])N TS09993 [1,1,0,0,0,0|1,1,0]=4 955 B5R0.5 C[C@@H](C(=O)N)N TS01517 [1,1,0,0,0,0|1,0,0]=3 956 B5R0.5 C[C@@H](C(=O)N)N TS03590 [1,1,0,0,0,0|1,0,0]=3 957 B5R0.5 C[C@@H](C(=O)N)O TS59860 [1,1,0,0,0,0|1,0,0]=3 958 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [1,1,0,0,0,0|1,0,0]=3 959 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [1,1,0,0,0,0|1,0,0]=3 960 B5R0.5 C[C@@H](C(=O)O)N TS01516 [1,1,0,0,0,0|1,0,0]=3 961 B5R0.5 C[C@@H](C(=O)O)N TS03624 [1,1,0,0,0,0|1,0,0]=3 962 B5R0.5 C[C@@H](C(=O)O)O TS39672 [1,1,0,0,0,0|1,0,0]=3 963 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [1,1,0,0,0,0|1,0,0]=3 964 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [1,1,0,0,0,0|1,0,0]=3 965 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [1,1,0,0,0,0|1,0,0]=3 966 B5R0.5 C[C@@H](C(C)C)N TS71787 [1,1,0,0,0,0|1,0,1]=4 967 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [1,1,0,0,0,0|1,0,0]=3 968 B5R0.5 C[C@H](C(=O)N)N TS46606 [1,1,0,0,0,0|1,0,0]=3 969 B5R0.5 C[C@H](C(=O)N)N TS60179 [1,1,0,0,0,0|1,0,0]=3 970 B5R0.5 C[C@H](C(=O)N)O TS71820 [1,1,0,0,0,0|1,0,0]=3 971 B5R0.5 C[C@H](C(=O)O)Br TS10264 [1,1,0,0,0,0|1,0,0]=3 972 B5R0.5 C[C@H](C(=O)O)O TS03621 [1,1,0,0,0,0|1,0,0]=3 973 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [1,1,0,0,0,0|1,0,0]=3 974 B5R0.5 C[C@H](C(C)C)N TS71786 [1,1,0,0,0,0|1,0,1]=4 975 B5R0.5 C[N+](=C(Cl)Cl)C TS42521 [1,1,0,0,0,0|2,0,0]=4 976 B5R0.2 C(C#N)OC=O TS71729 [1,1,0,0,0,0|0,0,1]=3 977 B5R0.2 C(CBr)N=C=O TS40811 [1,1,0,0,0,0|1,0,1]=4 978 B5R0.2 C(CBr)OCCl TS45688 [1,1,0,0,0,0|1,0,1]=4 979 B5R0.2 C(CC#N)C=O TS71698 [1,1,0,0,0,0|1,0,1]=4 980 B5R0.2 C(CC=O)C=O TS03527 [1,1,0,0,0,0|1,0,1]=4 981 B5R0.2 C(CC=O)C=O TS58456 [1,1,0,0,0,0|1,0,1]=4 982 B5R0.2 C(CCl)N=C=O TS31715 [1,1,0,0,0,0|1,0,1]=4 983 B5R0.2 C(CCl)OCCl TS36384 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.2 C=CCCC=O TS03486 [1,1,0,0,0,0|1,0,1]=4 985 B5R0.2 C=CCCCBr TS71399 [1,1,0,0,0,0|2,0,0]=4 986 B5R0.2 C=CCCCCl TS04057 [1,1,0,0,0,0|2,0,0]=4 987 B5R0.2 C=CCCCN TS03513 [1,1,0,0,0,0|2,0,0]=4 988 B5R0.2 C=CCCCN TS04880 [1,1,0,0,0,0|2,0,0]=4 989 B5R0.2 C=CCCCO TS33172 [1,1,0,0,0,0|2,0,0]=4 990 B5R0.2 C=CCCC[Zn+] TS44589 [1,1,0,0,0,0|2,0,0]=4 991 B5R0.2 C=CCNC=O TS03504 [1,1,0,0,0,0|1,0,1]=4 992 B5R0.2 C=CCOC=C TS03491 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.2 C=CCOC=O TS71740 [1,1,0,0,0,0|0,0,1]=3 994 B5R0.2 C=COCCO TS03575 [1,1,0,0,0,0|1,0,0]=3 995 B5R0.2 CC=CCCO TS71749 [1,1,0,0,0,0|2,0,0]=4 996 B5R0.2 CCC#CC=C TS71669 [1,1,0,0,0,0|2,0,0]=4 997 B5R0.2 CCC=CC=C TS03467 [1,1,0,0,0,0|2,0,0]=4 998 B5R0.2 CCC=CC=O TS03498 [1,1,0,0,0,0|1,0,0]=3 999 B5R0.2 CCCC=NO TS03560 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.2 CCCCC=C TS71713 [1,1,0,0,0,0|2,0,0]=4 1001 B5R0.2 CCCCC=O TS71764 [1,1,0,0,0,0|1,0,0]=3 1002 B5R0.2 CCCC[Sn]=O TS17583 [1,1,0,0,0,0|1,0,1]=4 1003 B5R0.2 CCCN=C=O TS03505 [1,1,0,0,0,0|1,0,1]=4 1004 B5R0.2 CCCOC=C TS29507 [1,1,0,0,0,0|1,0,0]=3 1005 B5R0.2 CCCOC=O TS03584 [1,1,0,0,0,0|0,0,0]=2 1006 B5R0.2 CCCOCC TS71799 [1,1,0,0,0,0|1,0,1]=4 1007 B5R0.2 CCCOCCl TS04165 [1,1,0,0,0,0|1,0,1]=4 1008 B5R0.2 CCCON=O TS71824 [1,1,0,0,0,0|1,0,0]=3 1009 B5R0.2 CCOC=CBr TS40963 [1,1,0,0,0,0|1,0,0]=3 1010 B5R0.2 CCOC=CC TS71751 [1,1,0,0,0,0|1,0,0]=3 1011 B5R0.2 CCOCC=C TS71744 [1,1,0,0,0,0|1,0,0]=3 1012 B5R0.2 CCOCCBr TS10269 [1,1,0,0,0,0|1,0,1]=4 1013 B5R0.2 CCOCCCl TS04162 [1,1,0,0,0,0|1,0,1]=4 1014 B5R0.2 CCOCCO TS71837 [1,1,0,0,0,0|0,0,2]=4 1015 B5R0.2 CCSCC=C TS03981 [1,1,0,0,0,0|1,1,0]=4 1016 B5R0.2 COC=CC=O TS71739 [1,1,0,0,0,0|1,0,1]=4 1017 B7R0.2 C(C(CN)N)C(=O)O TS32339 [0,2,0,0,0,0|2,0,0]=4 1018 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [0,2,0,0,0,0|2,0,0]=4 1019 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [0,2,0,0,0,0|2,0,0]=4 1020 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [0,2,0,0,0,0|2,0,0]=4 1021 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [0,2,0,0,0,0|2,0,0]=4 1022 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [0,2,0,0,0,0|2,0,0]=4 1023 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,2,0,0,0,0|1,0,1]=4 1024 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,2,0,0,0,0|1,0,1]=4 1025 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,2,0,0,0,0|2,0,0]=4 1026 B7R0.2 CC(=O)OC(CBr)Br TS27398 [0,2,0,0,0,0|1,0,0]=3 1027 B7R0.2 CC(C)CC(=NO)C TS32168 [0,2,0,0,0,0|1,0,1]=4 1028 B7R0.2 CC(C)CC(=O)OC TS04588 [0,2,0,0,0,0|1,0,0]=3 1029 B7R0.2 CC(C)CC(=O)SC TS05775 [0,2,0,0,0,0|1,0,0]=3 1030 B7R0.2 CC(C)CC(C)C=C TS04359 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.2 CC(C)NC(=NO)N TS04682 [0,2,0,0,0,0|1,0,1]=4 1032 B7R0.2 CC(C)NC(=O)C=C TS32016 [0,2,0,0,0,0|1,0,0]=3 1033 B7R0.2 CC(C)NC(=O)CCl TS06023 [0,2,0,0,0,0|1,0,0]=3 1034 B7R0.2 CC(C)NC(=S)NN TS36783 [0,2,0,0,0,0|1,1,0]=4 1035 B7R0.2 CC(C)OC(=O)C=C TS32061 [0,2,0,0,0,0|0,0,0]=2 1036 B7R0.2 CC(C)OC(=O)CCl TS37073 [0,2,0,0,0,0|0,0,0]=2 1037 B7R0.2 CC(C)OC(=O)CN TS41311 [0,2,0,0,0,0|0,0,0]=2 1038 B7R0.2 CC(C)OC(=O)CO TS32323 [0,2,0,0,0,0|0,0,0]=2 1039 B7R0.2 CC(C)OC(=O)CS TS05924 [0,2,0,0,0,0|0,0,0]=2 1040 B7R0.2 CC(C)OC(=S)S[K] TS13576 [0,2,0,0,0,0|0,1,0]=3 1041 B7R0.2 CC(C)OC(=S)S[Na] TS11014 [0,2,0,0,0,0|0,1,0]=3 1042 B7R0.2 CC(CC(=O)OC)Br TS65942 [0,2,0,0,0,0|2,0,0]=4 1043 B7R0.2 CCC(=C)CC(C)C TS04352 [0,2,0,0,0,0|2,0,0]=4 1044 B7R0.2 CCC(=O)CC(C)C TS32113 [0,2,0,0,0,0|1,0,0]=3 1045 B7R0.2 CCC(C)CC(=C)C TS04345 [0,2,0,0,0,0|2,0,0]=4 1046 B7R0.2 CCC(C)CC(=O)C TS04467 [0,2,0,0,0,0|1,0,0]=3 1047 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,2,0,0,0,0|1,0,0]=3 1048 B7R0.2 CCC(C)CC(=O)O TS04597 [0,2,0,0,0,0|1,0,0]=3 1049 B7R0.2 CCC(C)NC(=O)N TS04603 [0,2,0,0,0,0|1,0,0]=3 1050 B7R0.2 CCC(C)OC(=O)C TS32210 [0,2,0,0,0,0|0,0,0]=2 1051 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,2,0,0,0,0|0,0,0]=2 1052 B7R0.2 CCC(CC(=O)O)N TS04672 [0,2,0,0,0,0|2,0,0]=4 1053 B7R0.2 CCC(CC(=O)O)O TS32318 [0,2,0,0,0,0|2,0,0]=4 1054 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,2,0,0,0,0|1,0,0]=3 1055 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [0,2,0,0,0,0|2,0,0]=4 1056 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,2,0,0,0,0|1,0,0]=3 1057 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [0,2,0,0,0,0|2,0,0]=4 1058 B7R0.2 CN(C)CC(=O)NN TS04683 [0,2,0,0,0,0|2,0,0]=4 1059 B7R0.2 CN(C)CC(=O)OC TS04665 [0,2,0,0,0,0|2,0,0]=4 1060 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [0,2,0,0,0,0|2,0,0]=4 1062 B7R0.3 CC(CO)OCC#C TS04443 [0,2,0,0,0,0|1,0,1]=4 1063 B7R0.3 CCC(C)CC=CC TS31972 [0,2,0,0,0,0|2,0,0]=4 1064 B7R0.3 CCC(C)SCC=C TS05618 [0,2,0,0,0,0|1,1,0]=4 1065 B7R0.3 CCC(C=CC=O)O TS04431 [0,2,0,0,0,0|2,0,0]=4 1066 B7R0.3 CCC=CC(C)CC TS31968 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.3 C[C@H](CO)OCOC TS94527 [0,2,0,0,0,0|0,0,2]=4 1068 B7R0.5 CC(C(=O)O)NC=O TS32276 [0,2,0,0,0,0|1,0,1]=4 1069 B7R0.5 CC(C)C(C)CC=C TS04343 [0,2,0,0,0,0|2,0,0]=4 1070 B7R0.5 CC(C)C(CC=C)O TS32108 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.5 CC=CC(C(C)C)O TS04483 [0,2,0,0,0,0|2,0,0]=4 1072 B7R0.5 CCC=C(C)C(C)C TS31953 [0,2,0,0,0,0|2,0,0]=4 1073 B7R0.5 CCOC(=O)C(C)C TS32217 [0,2,0,0,0,0|1,0,1]=4 1074 B7R0.5 C[C@@H](C(=O)O)NC=O TS32273 [0,2,0,0,0,0|1,0,1]=4 1075 B7R0.7 CC(CC=O)CC=O TS04451 [0,2,0,0,0,0|1,0,0]=3 1076 B7R0.7 CC=CC(C)CC=C TS04219 [0,2,0,0,0,0|2,0,0]=4 1077 B7R0.7 CCCC(C)CC=C TS31971 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.7 CCCC(C)OCC TS32250 [0,2,0,0,0,0|1,0,1]=4 1079 B7R0.7 CCOC(C)OCC TS04742 [0,2,0,0,0,0|1,0,1]=4 1080 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O TS32410 [0,2,0,0,0,0|2,0,0]=4 1081 B7R0.10 C([C@H]([C@@H](C=O)O)O)O TS32408 [0,2,0,0,0,0|2,0,0]=4 1082 B7R0.10 C([C@H]([C@H](C=O)O)O)O TS32407 [0,2,0,0,0,0|2,0,0]=4 1083 B7R0.10 CCC(C(C)C=O)S TS05778 [0,2,0,0,0,0|2,0,0]=4 1084 B7R0.10 CCC(C)C(=CC)C TS04350 [0,2,0,0,0,0|2,0,0]=4 1085 B7R0.10 CCC(C)C(C)C=C TS04364 [0,2,0,0,0,0|2,0,0]=4 1086 B7R0.10 CCC(C)C(C)C=O TS04460 [0,2,0,0,0,0|1,0,0]=3 1087 B7R0.11 CC(C)(CC=C)C=O TS31951 [0,2,0,0,0,0|2,0,0]=4 1088 B7R0.11 CCC(C)(C)CC=C TS02214 [0,2,0,0,0,0|2,0,0]=4 1089 B7R0.11 CCC(C)(C)OCC TS32244 [0,2,0,0,0,0|1,0,1]=4 1090 B7R0.11 CCC(C)(CC=C)O TS04476 [0,2,0,0,0,0|2,0,0]=4 1091 B7R0.11 CCO[C@@](C)(CO)O TS94520 [0,2,0,0,0,0|1,0,1]=4 1092 B7R0.12 CCC(CC)OC=O TS32223 [0,2,0,0,0,0|0,0,0]=2 1093 B7R0.9 C(=O)(OC(Cl)(Cl)Cl)Cl TS53930 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.9 CC(=C)CC(C)(C)C TS31963 [0,2,0,0,0,0|2,0,0]=4 1095 B7R0.9 CC(=C)CC(C)(C)O TS04481 [0,2,0,0,0,0|2,0,0]=4 1096 B7R0.9 CC(=C)O[Si](C)(C)C TS05621 [0,2,0,0,0,0|1,1,0]=4 1097 B7R0.9 CC(=CC(C)(C)C)C TS31962 [0,2,0,0,0,0|2,0,0]=4 1098 B7R0.9 CC(=O)CC(C)(C)C TS32105 [0,2,0,0,0,0|1,0,0]=3 1099 B7R0.9 CC(=O)CC(C)(C)N TS23643 [0,2,0,0,0,0|1,0,0]=3 1100 B7R0.9 CC(=O)CC(C)(C)O TS03121 [0,2,0,0,0,0|1,0,0]=3 1101 B7R0.9 CC(=O)CC(C)(C)S TS02240 [0,2,0,0,0,0|1,0,0]=3 1102 B7R0.9 CC(=O)NC(C)(C)C TS32162 [0,2,0,0,0,0|1,0,0]=3 1103 B7R0.9 CC(=O)N[Si](C)(C)C TS36628 [0,2,0,0,0,0|1,1,0]=4 1104 B7R0.9 CC(=O)OC(C)(C)C TS33213 [0,2,0,0,0,0|0,0,0]=2 1105 B7R0.9 CC(=O)O[Si](C)(C)C TS05784 [0,2,0,0,0,0|0,1,0]=3 1106 B7R0.9 CC(=O)SC(C)(C)C TS05772 [0,2,0,0,0,0|0,1,0]=3 1107 B7R0.9 CC(C)(C)CC(=O)Cl TS65731 [0,2,0,0,0,0|1,0,0]=3 1108 B7R0.9 CC(C)(C)CC(=O)O TS32207 [0,2,0,0,0,0|1,0,0]=3 1109 B7R0.9 CC(C)(C)NC(=O)N TS04605 [0,2,0,0,0,0|1,0,0]=3 1110 B7R0.9 CC(C)(C)NC(=S)N TS01709 [0,2,0,0,0,0|1,1,0]=4 1111 B7R0.9 CC(C)(C)OC(=O)N TS01702 [0,2,0,0,0,0|0,0,0]=2 1112 B7R0.9 CC(C)(CC(=O)O)N TS65844 [0,2,0,0,0,0|1,0,0]=3 1113 B7R0.9 CC(C)(CC(=O)O)O TS04710 [0,2,0,0,0,0|1,0,0]=3 1114 B7R0.9 CC(C)CS(=O)(=O)Cl TS02172 [0,2,0,0,0,0|2,0,0]=4 1115 B7R0.9 CC(C)OP(=O)(O)O TS44965 [0,2,0,0,0,0|1,0,0]=3 1116 B7R0.9 CC(C)OS(=O)(=O)C TS06289 [0,2,0,0,0,0|1,0,0]=3 1117 B7R0.9 CC(C)O[Si](C)(C)C TS36721 [0,2,0,0,0,0|1,1,0]=4 1118 B7R0.9 CC(C)O[V](=O)(Cl)Cl TS53784 [0,2,0,0,0,0|1,0,0]=3 1119 B7R0.9 C[N+](C)(C)CC(=O)O TS39821 [0,2,0,0,0,0|2,0,0]=4 1120 B7R0.9 C[N+](C)(C)CC(=O)[O-] TS04673 [0,2,0,0,0,0|2,0,0]=4 1121 B7R0.9 C[N+](C)(C)CC(=O)[O-] TS05987 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.9 C[Si](C)(C)CC(=O)O TS05787 [0,2,0,0,0,0|1,1,0]=4 1123 B7R0.16 CC(C(C(=O)O)Br)Br TS27396 [0,2,0,0,0,0|2,0,0]=4 1124 B7R0.16 CC(C(C(=O)O)N)F TS04855 [0,2,0,0,0,0|2,0,0]=4 1125 B7R0.16 CC(C(C(=O)O)N)N TS32333 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.16 CC(C(C(=O)O)N)O TS32381 [0,2,0,0,0,0|2,0,0]=4 1127 B7R0.16 CC(C)C(=C(C)C)C TS31980 [0,2,0,0,0,0|2,0,0]=4 1128 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [0,2,0,0,0,0|1,0,0]=3 1129 B7R0.16 CC(C)C(C(=C)C)O TS32111 [0,2,0,0,0,0|2,0,0]=4 1130 B7R0.16 CC(C)C(C(=O)Br)Br TS27078 [0,2,0,0,0,0|1,0,0]=3 1131 B7R0.16 CC(C)C(C(=O)O)Br TS14725 [0,2,0,0,0,0|1,0,0]=3 1132 B7R0.16 CC(C)C(C(=O)O)O TS04712 [0,2,0,0,0,0|1,0,0]=3 1133 B7R0.16 CC(C)C(C)C(=O)O TS32220 [0,2,0,0,0,0|1,0,0]=3 1134 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41225 [0,2,0,0,0,0|1,0,0]=3 1135 B7R0.16 CC(C)[C@@H](C(=O)N)N TS41227 [0,2,0,0,0,0|1,0,0]=3 1136 B7R0.16 CC(C)[C@@H](C(=O)O)Br TS08097 [0,2,0,0,0,0|1,0,0]=3 1137 B7R0.16 CC(C)[C@@H](C(=O)O)Cl TS37075 [0,2,0,0,0,0|1,0,0]=3 1138 B7R0.16 CC(C)[C@@H](C(=O)O)N TS94390 [0,2,0,0,0,0|1,0,0]=3 1139 B7R0.16 CC(C)[C@@H](C(=O)O)O TS32326 [0,2,0,0,0,0|1,0,0]=3 1140 B7R0.16 CC(C)[C@H](C(=O)O)Br TS14723 [0,2,0,0,0,0|1,0,0]=3 1141 B7R0.16 CC(C)[C@H](C(=O)O)Cl TS37074 [0,2,0,0,0,0|1,0,0]=3 1142 B7R0.16 CC(C)[C@H](C(=O)O)N TS59535 [0,2,0,0,0,0|1,0,0]=3 1143 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)N TS51239 [0,2,0,0,0,0|2,0,0]=4 1144 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O TS32386 [0,2,0,0,0,0|2,0,0]=4 1145 B7R0.16 C[C@@H]([C@H](C(=O)O)N)N TS51241 [0,2,0,0,0,0|2,0,0]=4 1146 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O TS39862 [0,2,0,0,0,0|2,0,0]=4 1147 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O TS41461 [0,2,0,0,0,0|2,0,0]=4 1148 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N TS51240 [0,2,0,0,0,0|2,0,0]=4 1149 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O TS74521 [0,2,0,0,0,0|2,0,0]=4 1150 B7R0.13 CC(C(C=O)(Cl)Cl)Cl TS13748 [0,2,0,0,0,0|2,0,0]=4 1151 B7R0.14 CC(C=C)C(C)(C)O TS04471 [0,2,0,0,0,0|2,0,0]=4 1152 B7R0.14 CC=C(C)C(C)(C)C TS31978 [0,2,0,0,0,0|2,0,0]=4 1153 B7R0.15 CCC(=CC)C(C)C TS31976 [0,2,0,0,0,0|2,0,0]=4 1154 B7R0.15 CCC(C=O)C(C)C TS32780 [0,2,0,0,0,0|1,0,0]=3 1155 B7R0.4 CC(=CCOC=O)C TS04439 [0,2,0,0,0,0|0,0,1]=3 1156 B7R0.4 CC(C)CCCC=C TS31960 [0,2,0,0,0,0|2,0,0]=4 1157 B7R0.4 CC(C)CCOC=O TS32212 [0,2,0,0,0,0|0,0,0]=2 1158 B7R0.4 CC(C)CCON=O TS01922 [0,2,0,0,0,0|1,0,0]=3 1159 B7R0.4 CC(C)COCCO TS04743 [0,2,0,0,0,0|0,0,2]=4 1160 B7R0.4 CC(C)OCCC#N TS32022 [0,2,0,0,0,0|1,0,1]=4 1161 B7R0.4 CC(C)OCCCN TS32297 [0,2,0,0,0,0|1,0,1]=4 1162 B7R0.4 CC=CCCC(C)C TS31977 [0,2,0,0,0,0|2,0,0]=4 1163 B7R0.4 CCC=CCC(C)C TS04361 [0,2,0,0,0,0|2,0,0]=4 1164 B7R0.4 CCCC=CC(C)C TS04365 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.4 CN(C)CCCC=O TS32154 [0,2,0,0,0,0|2,0,0]=4 1166 B7R0.6 CC(=C)COC(=O)C TS04432 [0,2,0,0,0,0|0,0,2]=4 1167 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,2,0,0,0,0|1,0,1]=4 1168 B7R0.6 CC(=NNC(=O)C)C TS32085 [0,2,0,0,0,0|1,0,1]=4 1169 B7R0.6 CC(=NNC(=O)N)C TS04537 [0,2,0,0,0,0|1,0,1]=4 1170 B7R0.6 CC(=O)COC(=O)C TS32186 [0,2,0,0,0,0|1,0,1]=4 1171 B7R0.6 CC(=O)OCC(=O)Cl TS37071 [0,2,0,0,0,0|1,0,1]=4 1172 B7R0.6 CC(=O)OCC(=O)O TS04693 [0,2,0,0,0,0|1,0,1]=4 1173 B7R0.6 CC(=O)OCC(F)F TS05005 [0,2,0,0,0,0|2,0,0]=4 1174 B7R0.6 CC(=O)OOC(=O)C TS04696 [0,2,0,0,0,0|1,0,1]=4 1175 B7R0.6 CC(C)C=CC(=O)C TS01150 [0,2,0,0,0,0|1,0,0]=3 1176 B7R0.6 CC(C)C=CC(=O)O TS04440 [0,2,0,0,0,0|1,0,0]=3 1177 B7R0.6 CC(C)C=CC(C)C TS31957 [0,2,0,0,0,0|2,0,0]=4 1178 B7R0.6 CC(C)CCC(=C)C TS31967 [0,2,0,0,0,0|2,0,0]=4 1179 B7R0.6 CC(C)CCC(=O)C TS32095 [0,2,0,0,0,0|1,0,0]=3 1180 B7R0.6 CC(C)CCC(=O)Cl TS05954 [0,2,0,0,0,0|1,0,0]=3 1181 B7R0.6 CC(C)CCC(=O)O TS32208 [0,2,0,0,0,0|1,0,0]=3 1182 B7R0.6 CC(C)CNC(=O)N TS04600 [0,2,0,0,0,0|1,0,0]=3 1183 B7R0.6 CC(C)CNC(=S)N TS05782 [0,2,0,0,0,0|1,1,0]=4 1184 B7R0.6 CC(C)COC(=O)C TS04598 [0,2,0,0,0,0|0,0,0]=2 1185 B7R0.6 CC(C)COC(=O)Cl TS74510 [0,2,0,0,0,0|0,0,0]=2 1186 B7R0.6 CC(C)COC(=O)N TS32285 [0,2,0,0,0,0|0,0,0]=2 1187 B7R0.6 CC(C)CO[N+](=O)[O-] TS32375 [0,2,0,0,0,0|1,0,0]=3 1188 B7R0.6 CC(C)OCC(=O)O TS04716 [0,2,0,0,0,0|0,0,0]=2 1189 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [0,2,0,0,0,0|2,0,0]=4 1190 B7R0.6 CC(COC(=O)C)O TS32324 [0,2,0,0,0,0|1,0,0]=3 1191 B7R0.6 CN(C)C=C[N+](=O)[O-] TS32192 [0,2,0,0,0,0|2,0,0]=4 1192 B7R0.6 C[S+](C)CCC(=O)O TS12940 [0,2,0,0,0,0|2,0,0]=4 1193 B7R0.6 C[S+](C)CCC(=O)O TS21843 [0,2,0,0,0,0|2,0,0]=4 1194 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [0,2,0,0,0,0|2,0,0]=4 1195 B7R0.8 C(C(F)(F)F)OC=O TS93682 [0,2,0,0,0,0|2,0,0]=4 1196 B7R0.8 CC(C)(C)C=CC=C TS39979 [0,2,0,0,0,0|2,0,0]=4 1197 B7R0.8 CC(C)(C)OCC#C TS31944 [0,2,0,0,0,0|1,0,1]=4 1198 B7R0.8 CC(C)(C)OCCN TS41324 [0,2,0,0,0,0|1,0,1]=4 1199 B7R0.8 CC(C)(C)OCCO TS04746 [0,2,0,0,0,0|0,0,2]=4 1200 B7R0.8 CC(C)(CCC=C)O TS32097 [0,2,0,0,0,0|2,0,0]=4 1201 B7R0.8 CC=CCC(C)(C)C TS04360 [0,2,0,0,0,0|2,0,0]=4 1202 B7R0.8 CCC=CC(C)(C)C TS04367 [0,2,0,0,0,0|2,0,0]=4 1203 B7R0.8 CCC=CC(C)(C)C TS04368 [0,2,0,0,0,0|2,0,0]=4 1204 B7R0.8 C[Si](C)(C)C#CC=O TS36174 [0,2,0,0,0,0|1,1,0]=4 1205 B7R0.8 C[Si](C)(C)OCC=C TS36558 [0,2,0,0,0,0|1,1,0]=4 1206 B5R1.2 CC1CCN1 TS71588 [1,0,0,1,0,0|1,0,1]=4 1207 B5R1.3 C#CC1CC1 TS02742 [1,0,0,1,0,0|1,0,1]=4 1208 B5R1.3 C1CC1C#N TS16796 [1,0,0,1,0,0|1,0,1]=4 1209 B5R1.3 C1CC1C=O TS55830 [1,0,0,1,0,0|0,0,0]=2 1210 B5R1.3 C1CC1CBr TS46573 [1,0,0,1,0,0|1,0,1]=4 1211 B5R1.3 C1CC1CCl TS46576 [1,0,0,1,0,0|1,0,1]=4 1212 B5R1.3 C1CC1CN TS03376 [1,0,0,1,0,0|1,0,1]=4 1213 B5R1.3 C1CC1CN TS04123 [1,0,0,1,0,0|1,0,1]=4 1214 B5R1.3 C1CC1CO TS34565 [1,0,0,1,0,0|0,0,2]=4 1215 B5R1.3 C1CC1ON TS94064 [1,0,0,1,0,0|1,0,0]=3 1216 B5R1.3 C1CC1[Mg]Br TS59761 [1,0,0,1,0,0|2,0,0]=4 1217 B5R1.3 C=CC1CC1 TS02996 [1,0,0,1,0,0|1,0,0]=3 1218 B5R1.3 CCC1CC1 TS03362 [1,0,0,1,0,0|1,0,1]=4 1219 B5R1.3 CNC1CC1 TS87062 [1,0,0,1,0,0|1,0,1]=4 1220 B5R1.3 [C-]#[N+]C1CC1 TS02923 [1,0,0,1,0,0|1,0,1]=4 1221 B5R1.4 C[C@@H]1C[C@@H]1C TS03365 [1,0,0,1,0,0|1,0,1]=4 1222 B5R1.4 C[C@@H]1C[C@H]1C TS03366 [1,0,0,1,0,0|1,0,1]=4 1223 B5R1.5 CC1(CN1)C TS71587 [1,0,0,1,0,0|1,0,1]=4 1224 B5R1.5 CC1(CS1)C TS71812 [1,0,0,1,0,0|0,1,1]=4 1225 B5R1.1 C1CC=CC1 TS70869 [1,0,0,1,0,0|2,0,0]=4 1226 B5R1.1 C1CCOC1 TS24765 [1,0,0,1,0,0|1,0,1]=4 1227 B5R1.1 C1CCOC1 TS39373 [1,0,0,1,0,0|1,0,1]=4 1228 B5R1.1 C1CCOC1 TS44432 [1,0,0,1,0,0|1,0,1]=4 1229 B5R1.1 C1CCOC1 TS48211 [1,0,0,1,0,0|1,0,1]=4 1230 B5R1.1 C1CCOC1 TS60631 [1,0,0,1,0,0|1,0,1]=4 1231 B5R1.1 C1CCOC1 TS63866 [1,0,0,1,0,0|1,0,1]=4 1232 B5R1.1 C1CCOC1 TS71600 [1,0,0,1,0,0|1,0,1]=4 1233 B5R1.1 C1CCOC1 TS80255 [1,0,0,1,0,0|1,0,1]=4 1234 B5R1.1 C1COC=C1 TS07898 [1,0,0,1,0,0|1,0,0]=3 1235 B5R1.1 C1COC=N1 TS03370 [1,0,0,1,0,0|1,0,0]=3 1236 B5R1.1 C1COCO1 TS03392 [1,0,0,1,0,0|0,0,2]=4 1237 B7R1.1 C1C(OCO1)CO TS31671 [0,1,0,1,0,0|0,0,2]=4 1238 B7R1.1 C1C=CCC1CI TS43382 [0,1,0,1,0,0|2,0,0]=4 1239 B7R1.1 C1C=CCC1CO TS03780 [0,1,0,1,0,0|2,0,0]=4 1240 B7R1.1 C1CC(OC1)CBr TS42845 [0,1,0,1,0,0|1,0,1]=4 1241 B7R1.1 C1CC(OC1)CCl TS32449 [0,1,0,1,0,0|1,0,1]=4 1242 B7R1.1 C1CC(OC1)CN TS39685 [0,1,0,1,0,0|1,0,1]=4 1243 B7R1.1 C1CC(OC1)CO TS59435 [0,1,0,1,0,0|1,0,1]=4 1244 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,1,0,1,0,0|1,0,1]=4 1245 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,1,0,1,0,0|1,0,1]=4 1246 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,1,0,1,0,0|1,0,1]=4 1247 B7R1.1 CCC1CCC=C1 TS03720 [0,1,0,1,0,0|2,0,0]=4 1248 B7R1.2 C1C(=O)OC(=O)N1 TS03898 [0,1,0,1,0,0|1,0,1]=4 1249 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,1,0,0|2,0,0]=4 1250 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,1,0,0|1,0,0]=3 1251 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [0,1,0,1,0,0|1,0,0]=3 1252 B7R1.2 C1C(OC(=O)O1)F TS31724 [0,1,0,1,0,0|1,0,0]=3 1253 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,1,0,0|1,0,1]=4 1254 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,1,0,0|2,0,0]=4 1255 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,1,0,0|2,0,0]=4 1256 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,1,0,0|1,0,0]=3 1257 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,1,0,0|1,0,0]=3 1258 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,1,0,1,0,0|2,0,0]=4 1259 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,1,0,0|2,0,0]=4 1260 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,1,0,0|2,0,0]=4 1261 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,1,0,0|1,0,0]=3 1262 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,1,0,0|0,0,2]=4 1263 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,1,0,0|1,0,1]=4 1264 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,1,0,0|0,0,2]=4 1265 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,1,0,0|0,0,1]=3 1266 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,1,0,1,0,0|1,0,1]=4 1267 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,1,0,1,0,0|0,0,1]=3 1268 B7R1.2 CC1CCC(O1)C TS47281 [0,1,0,1,0,0|1,0,1]=4 1269 B7R1.2 CC1CNC(=S)N1 TS04617 [0,1,0,1,0,0|1,1,0]=4 1270 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,1,0,0|0,0,0]=2 1271 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,1,0,0|0,0,0]=2 1272 B7R1.2 CC1COC(O1)C TS03942 [0,1,0,1,0,0|0,0,2]=4 1273 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,1,0,0|0,0,0]=2 1274 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,1,0,1,0,0|1,0,0]=3 1275 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,1,0,1,0,0|1,0,0]=3 1276 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,1,0,0|0,0,0]=2 1277 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [0,1,0,1,0,0|1,0,1]=4 1278 B7R1.3 CC1CC=CC=C1 TS03676 [0,1,0,1,0,0|2,0,0]=4 1279 B7R1.3 CC1CCCCO1 TS31512 [0,1,0,1,0,0|1,0,1]=4 1280 B7R1.3 CC1CCOCO1 TS03947 [0,1,0,1,0,0|0,0,2]=4 1281 B7R1.3 CC1CNCCO1 TS02170 [0,1,0,1,0,0|1,0,1]=4 1282 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,1,0,1,0,0|1,0,1]=4 1283 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,1,0,1,0,0|1,0,1]=4 1284 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,1,0,1,0,0|1,0,1]=4 1285 B7R1.4 CC1C(CCO1)S TS32361 [0,1,0,1,0,0|1,0,1]=4 1286 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,1,0,0|2,0,0]=4 1287 B7R1.4 Cc1c(ocn1)C TS31395 [0,1,0,1,0,0|1,0,1]=4 1288 B7R1.4 Cc1ccoc1C TS31373 [0,1,0,1,0,0|1,0,1]=4 1289 B7R1.6 C1C(CO1)CC=O TS86511 [0,1,0,1,0,0|1,0,0]=3 1290 B7R1.6 CCOC1CNC1 TS37143 [0,1,0,1,0,0|1,0,1]=4 1291 B7R1.10 C1C(CC1=O)C#N TS86059 [0,1,0,1,0,0|1,0,1]=4 1292 B7R1.10 C1C(CC1=O)CBr TS89769 [0,1,0,1,0,0|1,0,0]=3 1293 B7R1.10 C1C(CC1=O)CCl TS90066 [0,1,0,1,0,0|1,0,0]=3 1294 B7R1.10 C1C(CC1=O)CN TS88367 [0,1,0,1,0,0|1,0,0]=3 1295 B7R1.10 C1C(CC1=O)CO TS87456 [0,1,0,1,0,0|1,0,0]=3 1296 B7R1.21 CC=CC1(CC1)N TS31406 [0,1,0,1,0,0|2,0,0]=4 1297 B7R1.21 CCOC1(CC1)Br TS42848 [0,1,0,1,0,0|1,0,1]=4 1298 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,1,0,1,0,0|2,0,0]=4 1299 B7R1.12 C1[C@@H]([C@H]1F)C(=O)Cl TS04937 [0,1,0,1,0,0|2,0,0]=4 1300 B7R1.16 C1C(=O)CC1(F)F TS90172 [0,1,0,1,0,0|2,0,0]=4 1301 B7R1.20 C1CC1CC(=O)O TS55836 [0,1,0,1,0,0|1,0,0]=3 1302 B7R1.32 CC1(C(O1)(C)C)C TS31504 [0,1,0,1,0,0|1,0,1]=4 1303 B7R1.23 CC1(C(O1)OC)C TS03950 [0,1,0,1,0,0|0,0,2]=4 1304 B7R1.7 C1CC1OCCCl TS46506 [0,1,0,1,0,0|1,0,1]=4 1305 B7R1.14 CC1(COC=N1)C TS03824 [0,1,0,1,0,0|1,0,0]=3 1306 B7R1.14 CC1(COCN1)C TS31558 [0,1,0,1,0,0|1,0,1]=4 1307 B7R1.14 CC1(OCCO1)C TS03946 [0,1,0,1,0,0|0,0,2]=4