0 B4R0.1 B(CC)(O)O TS56140 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 BC(=O)OC TS05627 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 C#CC(=O)N TS00217 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#CC(=O)O TS59821 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 C(=C(Br)Br)Br TS68889 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(=C(Cl)Cl)Cl TS36633 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(=C(F)Cl)Cl TS32135 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(=C(F)Cl)F TS31457 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(=C(F)F)Br TS06811 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C(=C(F)F)Cl TS31458 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C(=C(F)F)F TS03455 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C(=N)(N)NN TS03398 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C(=N)(N)NN TS31864 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C(=N)(N)NN TS37080 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 C(=N)(N)NO TS62538 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 C(=NO)(Br)Br TS46755 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 C(=O)(N)NN TS00261 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 C(=O)(N)NN TS71629 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 C(=O)(N)NO TS71637 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 C(=O)(SCl)Cl TS05628 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 C(=O)C(=O)O TS39873 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 C(=S)(N)NN TS03644 [0,0,0,0,0,0|2,1,0]=3 22 B4R0.1 C(=S)(N)NN TS05292 [0,0,0,0,0,0|2,1,0]=3 23 B4R0.1 C(=[Se])(N)NN TS37152 [0,0,0,0,0,0|2,1,0]=3 24 B4R0.1 C(C(=N)N)Cl TS36385 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C(C(=N)N)N TS56589 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 C(C(=O)Br)Br TS65193 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 C(C(=O)Cl)Br TS41828 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C(C(=O)Cl)Cl TS31992 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 C(C(=O)Cl)F TS64901 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 C(C(=O)Cl)I TS38699 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 C(C(=O)F)Cl TS03738 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 C(C(=O)F)F TS71660 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 C(C(=O)N)Br TS55147 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 C(C(=O)N)Cl TS71884 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 C(C(=O)N)F TS03417 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 C(C(=O)N)I TS39674 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.1 C(C(=O)N)N TS36806 [0,0,0,0,0,0|1,0,0]=1 38 B4R0.1 C(C(=O)N)N TS39640 [0,0,0,0,0,0|1,0,0]=1 39 B4R0.1 C(C(=O)N)O TS71626 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.1 C(C(=O)N)S TS03643 [0,0,0,0,0,0|2,0,0]=2 41 B4R0.1 C(C(=O)O)Br TS06335 [0,0,0,0,0,0|1,0,0]=1 42 B4R0.1 C(C(=O)O)Br TS37324 [0,0,0,0,0,0|1,0,0]=1 43 B4R0.1 C(C(=O)O)Br TS37325 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 C(C(=O)O)Br TS37462 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 C(C(=O)O)Cl TS03683 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 C(C(=O)O)F TS03424 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.1 C(C(=O)O)I TS48817 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C(C(=O)O)N TS31897 [0,0,0,0,0,0|0,0,0]=0 49 B4R0.1 C(C(=O)O)N TS62535 [0,0,0,0,0,0|0,0,0]=0 50 B4R0.1 C(C(=O)O)O TS71635 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 C(C(=O)O)S TS03656 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.1 C(C(=O)[O-])Cl TS04648 [0,0,0,0,0,0|1,0,1]=2 53 B4R0.1 C(C(=O)[O-])F TS03691 [0,0,0,0,0,0|1,0,1]=2 54 B4R0.1 C(C(=O)[O-])F TS15406 [0,0,0,0,0,0|1,0,1]=2 55 B4R0.1 C(C(=O)[O-])F TS31484 [0,0,0,0,0,0|1,0,1]=2 56 B4R0.1 C(C(=O)[O-])I TS01955 [0,0,0,0,0,0|1,0,1]=2 57 B4R0.1 C(C(=O)[O-])I TS17396 [0,0,0,0,0,0|1,0,1]=2 58 B4R0.1 C(C(=O)[O-])N TS03744 [0,0,0,0,0,0|0,0,1]=1 59 B4R0.1 C(C(=O)[O-])N TS05962 [0,0,0,0,0,0|0,0,1]=1 60 B4R0.1 C(C(=O)[O-])N TS13250 [0,0,0,0,0,0|0,0,1]=1 61 B4R0.1 C(C(=O)[O-])N TS21558 [0,0,0,0,0,0|0,0,1]=1 62 B4R0.1 C(C(=O)[O-])N TS38376 [0,0,0,0,0,0|0,0,1]=1 63 B4R0.1 C(C(=O)[O-])N TS50709 [0,0,0,0,0,0|0,0,1]=1 64 B4R0.1 C(C(=O)[O-])N TS93263 [0,0,0,0,0,0|0,0,1]=1 65 B4R0.1 C(C(=O)[O-])N TS93300 [0,0,0,0,0,0|0,0,1]=1 66 B4R0.1 C(C(=O)[O-])O TS03750 [0,0,0,0,0,0|1,0,1]=2 67 B4R0.1 C(C(=O)[O-])S TS31805 [0,0,0,0,0,0|1,0,1]=2 68 B4R0.1 C(C(=O)[O-])S TS32044 [0,0,0,0,0,0|1,0,1]=2 69 B4R0.1 C(C(=O)[O-])S TS36493 [0,0,0,0,0,0|1,0,1]=2 70 B4R0.1 C(C(Br)Br)Br TS73580 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 C(C(Cl)Cl)Cl TS36793 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 C(C(Cl)Cl)O TS32138 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 C(C(F)Br)Br TS38905 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C(C(F)Br)O TS06812 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 C(C(F)Cl)Cl TS32265 [0,0,0,0,0,0|3,0,1]=4 76 B4R0.1 C(C(F)Cl)F TS03893 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.1 C(C(F)F)Br TS59947 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 C(C(F)F)Cl TS03892 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.1 C(C(F)F)F TS03474 [0,0,0,0,0,0|3,0,1]=4 80 B4R0.1 C(C(F)F)I TS17398 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 C(C(F)F)N TS32308 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.1 C(C(F)F)N TS71678 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 C(C(F)F)O TS34629 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 C([N+](=O)[O-])Br TS37323 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 C=C(C#N)Br TS05686 [0,0,0,0,0,0|2,0,2]=4 86 B4R0.1 C=C(C#N)Cl TS00072 [0,0,0,0,0,0|2,0,2]=4 87 B4R0.1 C=C(C=O)Br TS36903 [0,0,0,0,0,0|3,0,1]=4 88 B4R0.1 C=C(CBr)Br TS37831 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 C=C(CCl)Br TS41550 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 C=C(CCl)Cl TS04228 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 C=C(CCl)F TS03685 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 C=C(CO)Br TS06156 [0,0,0,0,0,0|3,0,0]=3 93 B4R0.1 C=C(CO)Cl TS00065 [0,0,0,0,0,0|3,0,0]=3 94 B4R0.1 C=CC(=C)Cl TS71819 [0,0,0,0,0,0|3,0,1]=4 95 B4R0.1 C=CC(=O)Cl TS33217 [0,0,0,0,0,0|2,0,1]=3 96 B4R0.1 C=CC(=O)N TS45022 [0,0,0,0,0,0|2,0,1]=3 97 B4R0.1 C=CC(=O)O TS71594 [0,0,0,0,0,0|1,0,1]=2 98 B4R0.1 C=CC(=O)[O-] TS03423 [0,0,0,0,0,0|1,0,2]=3 99 B4R0.1 C=CC(=O)[O-] TS10783 [0,0,0,0,0,0|1,0,2]=3 100 B4R0.1 C=CC(=O)[O-] TS14324 [0,0,0,0,0,0|1,0,2]=3 101 B4R0.1 C=CC(=O)[O-] TS38896 [0,0,0,0,0,0|1,0,2]=3 102 B4R0.1 C=CC(=O)[O-] TS43153 [0,0,0,0,0,0|1,0,2]=3 103 B4R0.1 C=CC(=O)[O-] TS43339 [0,0,0,0,0,0|1,0,2]=3 104 B4R0.1 C=CC(=O)[O-] TS57334 [0,0,0,0,0,0|1,0,2]=3 105 B4R0.1 C=CC(=O)[O-] TS71822 [0,0,0,0,0,0|1,0,2]=3 106 B4R0.1 C=CC(=O)[O-] TS80195 [0,0,0,0,0,0|1,0,2]=3 107 B4R0.1 C=C[N+](=O)[O-] TS03377 [0,0,0,0,0,0|2,0,2]=4 108 B4R0.1 CC(=C)C=C TS00101 [0,0,0,0,0,0|3,0,1]=4 109 B4R0.1 CC(=C)C=O TS71445 [0,0,0,0,0,0|3,0,1]=4 110 B4R0.1 CC(=C)CBr TS65907 [0,0,0,0,0,0|3,0,0]=3 111 B4R0.1 CC(=C)CCl TS00138 [0,0,0,0,0,0|3,0,0]=3 112 B4R0.1 CC(=C)CN TS02169 [0,0,0,0,0,0|2,0,0]=2 113 B4R0.1 CC(=C)CN TS04121 [0,0,0,0,0,0|2,0,0]=2 114 B4R0.1 CC(=C)CO TS00103 [0,0,0,0,0,0|3,0,0]=3 115 B4R0.1 CC(=C)CS TS71814 [0,0,0,0,0,0|3,0,0]=3 116 B4R0.1 CC(=C)OC TS00091 [0,0,0,0,0,0|4,0,0]=4 117 B4R0.1 CC(=C)[Mg]Br TS07128 [0,0,0,0,0,0|4,0,0]=4 118 B4R0.1 CC(=C=O)C TS16967 [0,0,0,0,0,0|3,0,1]=4 119 B4R0.1 CC(=CBr)Br TS37830 [0,0,0,0,0,0|3,0,1]=4 120 B4R0.1 CC(=CBr)C TS36907 [0,0,0,0,0,0|3,0,1]=4 121 B4R0.1 CC(=CCl)Cl TS31870 [0,0,0,0,0,0|3,0,1]=4 122 B4R0.1 CC(=N)OC TS31813 [0,0,0,0,0,0|4,0,0]=4 123 B4R0.1 CC(=NN)C TS71612 [0,0,0,0,0,0|3,0,0]=3 124 B4R0.1 CC(=NO)C TS03378 [0,0,0,0,0,0|4,0,0]=4 125 B4R0.1 CC(=O)C#C TS00427 [0,0,0,0,0,0|2,0,1]=3 126 B4R0.1 CC(=O)C=C TS71414 [0,0,0,0,0,0|2,0,1]=3 127 B4R0.1 CC(=O)C=O TS71593 [0,0,0,0,0,0|2,0,1]=3 128 B4R0.1 CC(=O)CBr TS64992 [0,0,0,0,0,0|2,0,0]=2 129 B4R0.1 CC(=O)CCl TS71869 [0,0,0,0,0,0|2,0,0]=2 130 B4R0.1 CC(=O)CF TS71639 [0,0,0,0,0,0|2,0,0]=2 131 B4R0.1 CC(=O)CO TS39607 [0,0,0,0,0,0|2,0,0]=2 132 B4R0.1 CC(=O)NBr TS37149 [0,0,0,0,0,0|3,0,0]=3 133 B4R0.1 CC(=O)NC TS16313 [0,0,0,0,0,0|3,0,0]=3 134 B4R0.1 CC(=O)NN TS01339 [0,0,0,0,0,0|2,0,0]=2 135 B4R0.1 CC(=O)OC TS03390 [0,0,0,0,0,0|3,0,0]=3 136 B4R0.1 CC(=O)OO TS71636 [0,0,0,0,0,0|3,0,0]=3 137 B4R0.1 CC(=O)SC TS71852 [0,0,0,0,0,0|3,0,0]=3 138 B4R0.1 CC(=[N+]=[N-])C TS03273 [0,0,0,0,0,0|3,0,1]=4 139 B4R0.1 CC(C#C)O TS09825 [0,0,0,0,0,0|2,0,2]=4 140 B4R0.1 CC(C#N)O TS03374 [0,0,0,0,0,0|1,0,3]=4 141 B4R0.1 CC(C)CBr TS59896 [0,0,0,0,0,0|3,0,1]=4 142 B4R0.1 CC(C)CCl TS00045 [0,0,0,0,0,0|3,0,1]=4 143 B4R0.1 CC(C)CI TS48514 [0,0,0,0,0,0|3,0,1]=4 144 B4R0.1 CC(C)CN TS01504 [0,0,0,0,0,0|2,0,1]=3 145 B4R0.1 CC(C)CN TS04173 [0,0,0,0,0,0|2,0,1]=3 146 B4R0.1 CC(C)CO TS03402 [0,0,0,0,0,0|3,0,1]=4 147 B4R0.1 CC(C)CS TS02444 [0,0,0,0,0,0|3,0,1]=4 148 B4R0.1 CC(C)C[Al+2] TS10535 [0,0,0,0,0,0|3,0,1]=4 149 B4R0.1 CC(C)C[Zn+] TS19475 [0,0,0,0,0,0|3,0,1]=4 150 B4R0.1 CC(C)NN TS01925 [0,0,0,0,0,0|3,0,1]=4 151 B4R0.1 CC(C)ON TS93804 [0,0,0,0,0,0|3,0,1]=4 152 B4R0.1 CC(C=C)O TS71610 [0,0,0,0,0,0|2,0,2]=4 153 B4R0.1 CC(CBr)Cl TS41830 [0,0,0,0,0,0|3,0,1]=4 154 B4R0.1 CC(CBr)O TS06336 [0,0,0,0,0,0|2,0,1]=3 155 B4R0.1 CC(CCl)Cl TS31995 [0,0,0,0,0,0|3,0,1]=4 156 B4R0.1 CC(CCl)O TS03686 [0,0,0,0,0,0|2,0,1]=3 157 B4R0.1 CC(CF)O TS03431 [0,0,0,0,0,0|2,0,1]=3 158 B4R0.1 CC(CN)N TS16685 [0,0,0,0,0,0|2,0,1]=3 159 B4R0.1 CC(CN)O TS71630 [0,0,0,0,0,0|1,0,1]=2 160 B4R0.1 CC(CO)F TS03432 [0,0,0,0,0,0|3,0,1]=4 161 B4R0.1 CC(CO)N TS04255 [0,0,0,0,0,0|3,0,1]=4 162 B4R0.1 CC(CO)O TS22730 [0,0,0,0,0,0|2,0,1]=3 163 B4R0.1 CC(CS)O TS71863 [0,0,0,0,0,0|2,0,1]=3 164 B4R0.1 CC(CS)S TS04156 [0,0,0,0,0,0|2,1,1]=4 165 B4R0.1 CC(C[NH3+])O TS45584 [0,0,0,0,0,0|1,0,2]=3 166 B4R0.1 CC=C(Br)Br TS37832 [0,0,0,0,0,0|3,0,1]=4 167 B4R0.1 CC=C(C)Br TS36906 [0,0,0,0,0,0|3,0,1]=4 168 B4R0.1 CC=C(C)C TS03364 [0,0,0,0,0,0|3,0,1]=4 169 B4R0.1 CC=C(Cl)Br TS41551 [0,0,0,0,0,0|3,0,1]=4 170 B4R0.1 CCC(=C)Br TS36908 [0,0,0,0,0,0|3,0,0]=3 171 B4R0.1 CCC(=C)C TS03363 [0,0,0,0,0,0|3,0,0]=3 172 B4R0.1 CCC(=C)Cl TS03633 [0,0,0,0,0,0|3,0,0]=3 173 B4R0.1 CCC(=N)N TS01647 [0,0,0,0,0,0|3,0,0]=3 174 B4R0.1 CCC(=O)Br TS06155 [0,0,0,0,0,0|2,0,0]=2 175 B4R0.1 CCC(=O)C TS71608 [0,0,0,0,0,0|2,0,0]=2 176 B4R0.1 CCC(=O)Cl TS71868 [0,0,0,0,0,0|2,0,0]=2 177 B4R0.1 CCC(=O)F TS71638 [0,0,0,0,0,0|2,0,0]=2 178 B4R0.1 CCC(=O)N TS59820 [0,0,0,0,0,0|2,0,0]=2 179 B4R0.1 CCC(=O)O TS03391 [0,0,0,0,0,0|1,0,0]=1 180 B4R0.1 CCC(=O)[O-] TS03709 [0,0,0,0,0,0|1,0,1]=2 181 B4R0.1 CCC(=O)[O-] TS04307 [0,0,0,0,0,0|1,0,1]=2 182 B4R0.1 CCC(=O)[O-] TS21191 [0,0,0,0,0,0|1,0,1]=2 183 B4R0.1 CCC(=O)[O-] TS28396 [0,0,0,0,0,0|1,0,1]=2 184 B4R0.1 CCC(=O)[O-] TS29272 [0,0,0,0,0,0|1,0,1]=2 185 B4R0.1 CCC(=O)[O-] TS38909 [0,0,0,0,0,0|1,0,1]=2 186 B4R0.1 CCC(=O)[O-] TS48904 [0,0,0,0,0,0|1,0,1]=2 187 B4R0.1 CCC(=O)[O-] TS53540 [0,0,0,0,0,0|1,0,1]=2 188 B4R0.1 CCC(=S)N TS03610 [0,0,0,0,0,0|2,1,0]=3 189 B4R0.1 CCC(=S)O TS71850 [0,0,0,0,0,0|1,1,0]=2 190 B4R0.1 CCC(C)Br TS39654 [0,0,0,0,0,0|3,0,1]=4 191 B4R0.1 CCC(C)Cl TS71870 [0,0,0,0,0,0|3,0,1]=4 192 B4R0.1 CCC(C)I TS93849 [0,0,0,0,0,0|3,0,1]=4 193 B4R0.1 CCC(C)N TS03382 [0,0,0,0,0,0|3,0,1]=4 194 B4R0.1 CCC(C)O TS03403 [0,0,0,0,0,0|2,0,1]=3 195 B4R0.1 CCC(C)S TS71856 [0,0,0,0,0,0|2,1,1]=4 196 B4R0.1 CCC(C)[Zn+] TS19473 [0,0,0,0,0,0|3,0,1]=4 197 B4R0.1 CCN(C)C TS03385 [0,0,0,0,0,0|4,0,0]=4 198 B4R0.1 CCP(Cl)Cl TS36582 [0,0,0,0,0,0|4,0,0]=4 199 B4R0.1 CCS(=O)[O-] TS93504 [0,0,0,0,0,0|2,0,1]=3 200 B4R0.1 CC[C@@H](C)N TS04171 [0,0,0,0,0,0|3,0,1]=4 201 B4R0.1 CC[C@@H](C)O TS03406 [0,0,0,0,0,0|2,0,1]=3 202 B4R0.1 CC[C@H](C)O TS03405 [0,0,0,0,0,0|2,0,1]=3 203 B4R0.1 CC[N+](=O)[O-] TS56409 [0,0,0,0,0,0|2,0,1]=3 204 B4R0.1 CC[SiH](C)C TS71815 [0,0,0,0,0,0|3,1,0]=4 205 B4R0.1 CC[SiH](Cl)Cl TS36387 [0,0,0,0,0,0|3,1,0]=4 206 B4R0.1 CNC(=N)N TS04168 [0,0,0,0,0,0|4,0,0]=4 207 B4R0.1 CNC(=N)N TS27169 [0,0,0,0,0,0|4,0,0]=4 208 B4R0.1 CNC(=O)Cl TS71883 [0,0,0,0,0,0|3,0,0]=3 209 B4R0.1 CNC(=O)N TS03394 [0,0,0,0,0,0|3,0,0]=3 210 B4R0.1 CNC(=S)N TS01609 [0,0,0,0,0,0|3,1,0]=4 211 B4R0.1 CNC(=S)[S-] TS07130 [0,0,0,0,0,0|2,2,0]=4 212 B4R0.1 COC(=N)N TS01617 [0,0,0,0,0,0|4,0,0]=4 213 B4R0.1 COC(=N)N TS03396 [0,0,0,0,0,0|4,0,0]=4 214 B4R0.1 COC(=N)N TS13125 [0,0,0,0,0,0|4,0,0]=4 215 B4R0.1 COC(=N)N TS31863 [0,0,0,0,0,0|4,0,0]=4 216 B4R0.1 COC(=O)Cl TS03684 [0,0,0,0,0,0|3,0,0]=3 217 B4R0.1 COC(=O)N TS71628 [0,0,0,0,0,0|3,0,0]=3 218 B4R0.1 COC(=O)[O-] TS36560 [0,0,0,0,0,0|2,0,1]=3 219 B4R0.1 CO[N+](=O)[O-] TS03416 [0,0,0,0,0,0|3,0,1]=4 220 B4R0.1 CSC(=N)N TS01109 [0,0,0,0,0,0|4,0,0]=4 221 B4R0.1 CSC(=N)N TS49354 [0,0,0,0,0,0|4,0,0]=4 222 B4R0.1 CSC(=O)Cl TS31865 [0,0,0,0,0,0|3,0,0]=3 223 B4R0.1 C[C@@H](C#C)O TS09824 [0,0,0,0,0,0|2,0,2]=4 224 B4R0.1 C[C@@H](CCl)O TS08924 [0,0,0,0,0,0|2,0,1]=3 225 B4R0.1 C[C@@H](CN)N TS45459 [0,0,0,0,0,0|2,0,1]=3 226 B4R0.1 C[C@@H](CN)N TS59565 [0,0,0,0,0,0|2,0,1]=3 227 B4R0.1 C[C@@H](CN)O TS71634 [0,0,0,0,0,0|1,0,1]=2 228 B4R0.1 C[C@@H](CO)Cl TS31359 [0,0,0,0,0,0|3,0,1]=4 229 B4R0.1 C[C@@H](CO)N TS55878 [0,0,0,0,0,0|3,0,1]=4 230 B4R0.1 C[C@@H](CO)O TS46640 [0,0,0,0,0,0|2,0,1]=3 231 B4R0.1 C[C@H](C#C)O TS01975 [0,0,0,0,0,0|2,0,2]=4 232 B4R0.1 C[C@H](CCl)O TS46601 [0,0,0,0,0,0|2,0,1]=3 233 B4R0.1 C[C@H](CN)N TS31866 [0,0,0,0,0,0|2,0,1]=3 234 B4R0.1 C[C@H](CN)N TS45458 [0,0,0,0,0,0|2,0,1]=3 235 B4R0.1 C[C@H](CN)O TS71631 [0,0,0,0,0,0|1,0,1]=2 236 B4R0.1 C[C@H](CO)Cl TS03688 [0,0,0,0,0,0|3,0,1]=4 237 B4R0.1 C[C@H](CO)N TS01415 [0,0,0,0,0,0|3,0,1]=4 238 B4R0.1 C[C@H](CO)O TS59482 [0,0,0,0,0,0|2,0,1]=3 239 B4R0.1 C[SiH](C)CCl TS04166 [0,0,0,0,0,0|3,1,0]=4 240 B4R0.1 [2H]C(=O)O[2H] TS65557 [0,0,0,0,0,0|3,0,0]=3 241 B3R0.1 C#CC=O TS65569 [1,0,0,0,0,0|1,0,1]=3 242 B3R0.1 C#CCBr TS01645 [1,0,0,0,0,0|2,0,1]=4 243 B3R0.1 C#CCCl TS71622 [1,0,0,0,0,0|2,0,1]=4 244 B3R0.1 C#CCN TS03647 [1,0,0,0,0,0|1,0,1]=3 245 B3R0.1 C#CCN TS07975 [1,0,0,0,0,0|1,0,1]=3 246 B3R0.1 C#CCO TS02404 [1,0,0,0,0,0|1,0,2]=4 247 B3R0.1 C(=CBr)Br TS48814 [1,0,0,0,0,0|2,0,1]=4 248 B3R0.1 C(=CBr)F TS36038 [1,0,0,0,0,0|2,0,1]=4 249 B3R0.1 C(=CCl)Cl TS03742 [1,0,0,0,0,0|2,0,1]=4 250 B3R0.1 C(=CCl)F TS71673 [1,0,0,0,0,0|2,0,1]=4 251 B3R0.1 C(=CF)F TS65848 [1,0,0,0,0,0|2,0,1]=4 252 B3R0.1 C(=CI)Br TS25313 [1,0,0,0,0,0|2,0,1]=4 253 B3R0.1 C(=NO)N TS65580 [1,0,0,0,0,0|1,0,1]=3 254 B3R0.1 C(=O)C=O TS02414 [1,0,0,0,0,0|1,0,1]=3 255 B3R0.1 C(=O)C=O TS73473 [1,0,0,0,0,0|1,0,1]=3 256 B3R0.1 C(=O)NN TS02435 [1,0,0,0,0,0|1,0,0]=2 257 B3R0.1 C(=O)OO TS65600 [1,0,0,0,0,0|2,0,0]=3 258 B3R0.1 C(C#N)Br TS16529 [1,0,0,0,0,0|2,0,1]=4 259 B3R0.1 C(C#N)Cl TS39828 [1,0,0,0,0,0|2,0,1]=4 260 B3R0.1 C(C#N)F TS65222 [1,0,0,0,0,0|2,0,1]=4 261 B3R0.1 C(C#N)N TS01341 [1,0,0,0,0,0|1,0,1]=3 262 B3R0.1 C(C#N)N TS01342 [1,0,0,0,0,0|1,0,1]=3 263 B3R0.1 C(C#N)O TS02412 [1,0,0,0,0,0|0,0,3]=4 264 B3R0.1 C(C=O)Cl TS15061 [1,0,0,0,0,0|1,0,0]=2 265 B3R0.1 C(C=O)Cl TS71651 [1,0,0,0,0,0|1,0,0]=2 266 B3R0.1 C(C=O)O TS02433 [1,0,0,0,0,0|1,0,0]=2 267 B3R0.1 C(CBr)Br TS59882 [1,0,0,0,0,0|2,0,1]=4 268 B3R0.1 C(CBr)Cl TS00022 [1,0,0,0,0,0|2,0,1]=4 269 B3R0.1 C(CBr)F TS46917 [1,0,0,0,0,0|2,0,1]=4 270 B3R0.1 C(CBr)N TS11328 [1,0,0,0,0,0|1,0,1]=3 271 B3R0.1 C(CBr)N TS55165 [1,0,0,0,0,0|1,0,1]=3 272 B3R0.1 C(CBr)O TS55163 [1,0,0,0,0,0|1,0,1]=3 273 B3R0.1 C(CCl)Cl TS31460 [1,0,0,0,0,0|2,0,1]=4 274 B3R0.1 C(CCl)F TS71692 [1,0,0,0,0,0|2,0,1]=4 275 B3R0.1 C(CCl)N TS55277 [1,0,0,0,0,0|1,0,1]=3 276 B3R0.1 C(CCl)O TS00074 [1,0,0,0,0,0|1,0,1]=3 277 B3R0.1 C(CCl)[SiH3] TS31360 [1,0,0,0,0,0|2,0,1]=4 278 B3R0.1 C(CF)F TS02711 [1,0,0,0,0,0|2,0,1]=4 279 B3R0.1 C(CF)N TS31476 [1,0,0,0,0,0|1,0,1]=3 280 B3R0.1 C(CF)O TS01026 [1,0,0,0,0,0|1,0,1]=3 281 B3R0.1 C(CI)Cl TS51200 [1,0,0,0,0,0|2,0,1]=4 282 B3R0.1 C(CI)F TS45712 [1,0,0,0,0,0|2,0,1]=4 283 B3R0.1 C(CI)I TS93956 [1,0,0,0,0,0|2,0,1]=4 284 B3R0.1 C(CI)O TS13090 [1,0,0,0,0,0|1,0,1]=3 285 B3R0.1 C(CN)N TS03440 [1,0,0,0,0,0|1,0,1]=3 286 B3R0.1 C(CN)N TS03650 [1,0,0,0,0,0|1,0,1]=3 287 B3R0.1 C(CN)N TS05804 [1,0,0,0,0,0|1,0,1]=3 288 B3R0.1 C(CN)N TS22305 [1,0,0,0,0,0|1,0,1]=3 289 B3R0.1 C(CN)N TS26096 [1,0,0,0,0,0|1,0,1]=3 290 B3R0.1 C(CN)N TS65589 [1,0,0,0,0,0|1,0,1]=3 291 B3R0.1 C(CN)N TS70395 [1,0,0,0,0,0|1,0,1]=3 292 B3R0.1 C(CN)N TS76811 [1,0,0,0,0,0|1,0,1]=3 293 B3R0.1 C(CN)N TS79362 [1,0,0,0,0,0|1,0,1]=3 294 B3R0.1 C(CN)[NH3+] TS03740 [1,0,0,0,0,0|1,0,1]=3 295 B3R0.1 C(CO)N TS08649 [1,0,0,0,0,0|0,0,1]=2 296 B3R0.1 C(CO)N TS31412 [1,0,0,0,0,0|0,0,1]=2 297 B3R0.1 C(CO)N TS31567 [1,0,0,0,0,0|0,0,1]=2 298 B3R0.1 C(CO)N TS93285 [1,0,0,0,0,0|0,0,1]=2 299 B3R0.1 C(CO)O TS02439 [1,0,0,0,0,0|1,0,1]=3 300 B3R0.1 C(CP)O TS03426 [1,0,0,0,0,0|0,1,1]=3 301 B3R0.1 C(CP)P TS03658 [1,0,0,0,0,0|1,1,1]=4 302 B3R0.1 C(CS)N TS03420 [1,0,0,0,0,0|0,1,1]=3 303 B3R0.1 C(CS)N TS39644 [1,0,0,0,0,0|0,1,1]=3 304 B3R0.1 C(CS)O TS71649 [1,0,0,0,0,0|1,0,1]=3 305 B3R0.1 C(CS)S TS74490 [1,0,0,0,0,0|1,1,1]=4 306 B3R0.1 C(C[O-])O TS70846 [1,0,0,0,0,0|1,0,1]=3 307 B3R0.1 C(C[SiH3])[SiH3] TS03631 [1,0,0,0,0,0|2,0,1]=4 308 B3R0.1 C=CC#C TS65565 [1,0,0,0,0,0|2,0,1]=4 309 B3R0.1 C=CC#N TS85293 [1,0,0,0,0,0|1,0,2]=4 310 B3R0.1 C=CC=C TS51732 [1,0,0,0,0,0|2,0,1]=4 311 B3R0.1 C=CC=C TS65573 [1,0,0,0,0,0|2,0,1]=4 312 B3R0.1 C=CC=O TS33215 [1,0,0,0,0,0|1,0,1]=3 313 B3R0.1 C=CCBr TS39710 [1,0,0,0,0,0|2,0,0]=3 314 B3R0.1 C=CCCl TS03413 [1,0,0,0,0,0|2,0,0]=3 315 B3R0.1 C=CCF TS65583 [1,0,0,0,0,0|2,0,0]=3 316 B3R0.1 C=CCI TS93895 [1,0,0,0,0,0|2,0,0]=3 317 B3R0.1 C=CCN TS01644 [1,0,0,0,0,0|1,0,0]=2 318 B3R0.1 C=CCO TS02418 [1,0,0,0,0,0|2,0,0]=3 319 B3R0.1 C=CCS TS71619 [1,0,0,0,0,0|2,0,0]=3 320 B3R0.1 C=C[Mg]Br TS39970 [1,0,0,0,0,0|3,0,0]=4 321 B3R0.1 C=C[Mg]Cl TS03549 [1,0,0,0,0,0|3,0,0]=4 322 B3R0.1 CC=C=C TS65572 [1,0,0,0,0,0|2,0,1]=4 323 B3R0.1 CC=CBr TS00041 [1,0,0,0,0,0|2,0,1]=4 324 B3R0.1 CC=CCl TS03412 [1,0,0,0,0,0|2,0,1]=4 325 B3R0.1 CC=CCl TS03414 [1,0,0,0,0,0|2,0,1]=4 326 B3R0.1 CC=NO TS02427 [1,0,0,0,0,0|2,0,1]=4 327 B3R0.1 CCC#C TS65570 [1,0,0,0,0,0|2,0,1]=4 328 B3R0.1 CCC#N TS65577 [1,0,0,0,0,0|2,0,1]=4 329 B3R0.1 CCC=C TS02407 [1,0,0,0,0,0|2,0,0]=3 330 B3R0.1 CCC=O TS02416 [1,0,0,0,0,0|1,0,0]=2 331 B3R0.1 CCC=S TS71851 [1,0,0,0,0,0|1,1,0]=3 332 B3R0.1 CCCBr TS00040 [1,0,0,0,0,0|2,0,1]=4 333 B3R0.1 CCCCl TS71653 [1,0,0,0,0,0|2,0,1]=4 334 B3R0.1 CCCF TS65692 [1,0,0,0,0,0|2,0,1]=4 335 B3R0.1 CCCI TS45076 [1,0,0,0,0,0|2,0,1]=4 336 B3R0.1 CCCN TS02429 [1,0,0,0,0,0|1,0,1]=3 337 B3R0.1 CCCN TS03705 [1,0,0,0,0,0|1,0,1]=3 338 B3R0.1 CCCS TS03410 [1,0,0,0,0,0|1,1,1]=4 339 B3R0.1 CCC[O-] TS03458 [1,0,0,0,0,0|1,0,2]=4 340 B3R0.1 CCC[O-] TS37676 [1,0,0,0,0,0|1,0,2]=4 341 B3R0.1 CCC[O-] TS56091 [1,0,0,0,0,0|1,0,2]=4 342 B3R0.1 CCC[S-] TS03782 [1,0,0,0,0,0|1,1,1]=4 343 B3R0.1 CCNC TS03706 [1,0,0,0,0,0|3,0,0]=4 344 B3R0.1 CCNC TS16623 [1,0,0,0,0,0|3,0,0]=4 345 B3R0.1 CCNO TS64941 [1,0,0,0,0,0|2,0,0]=3 346 B3R0.1 CCOC TS65588 [1,0,0,0,0,0|3,0,0]=4 347 B3R0.1 CCON TS31411 [1,0,0,0,0,0|2,0,1]=4 348 B3R0.1 CCSC TS71648 [1,0,0,0,0,0|3,0,0]=4 349 B3R0.1 CC[Hg]Cl TS30124 [1,0,0,0,0,0|3,0,0]=4 350 B3R0.1 CC[Mg]Br TS36790 [1,0,0,0,0,0|3,0,0]=4 351 B3R0.1 CC[Mg]I TS93021 [1,0,0,0,0,0|3,0,0]=4 352 B3R0.1 CNC=O TS39915 [1,0,0,0,0,0|2,0,0]=3 353 B3R0.1 COC=C TS02419 [1,0,0,0,0,0|3,0,0]=4 354 B3R0.1 COC=O TS02434 [1,0,0,0,0,0|2,0,0]=3 355 B3R0.1 COCBr TS36040 [1,0,0,0,0,0|3,0,0]=4 356 B3R0.1 COCCl TS56228 [1,0,0,0,0,0|3,0,0]=4 357 B3R0.1 COCI TS13091 [1,0,0,0,0,0|3,0,0]=4 358 B3R0.1 C[SiH2]C[SiH3] TS03630 [1,0,0,0,0,0|2,1,0]=4 359 B3R0.2 B(C)(C)C TS02403 [1,0,0,0,0,0|3,0,0]=4 360 B3R0.2 B(C)(O)O TS56314 [1,0,0,0,0,0|1,0,1]=3 361 B3R0.2 B(O)(O)O TS65597 [1,0,0,0,0,0|2,0,1]=4 362 B3R0.2 BC(=O)O TS31626 [1,0,0,0,0,0|1,0,0]=2 363 B3R0.2 BC(=O)O TS71624 [1,0,0,0,0,0|1,0,0]=2 364 B3R0.2 C(=N)(N)Cl TS59752 [1,0,0,0,0,0|2,0,0]=3 365 B3R0.2 C(=N)(N)N TS03704 [1,0,0,0,0,0|2,0,0]=3 366 B3R0.2 C(=N)(N)N TS04734 [1,0,0,0,0,0|2,0,0]=3 367 B3R0.2 C(=N)(N)N TS04887 [1,0,0,0,0,0|2,0,0]=3 368 B3R0.2 C(=N)(N)N TS09179 [1,0,0,0,0,0|2,0,0]=3 369 B3R0.2 C(=O)(Cl)Cl TS31459 [1,0,0,0,0,0|2,0,0]=3 370 B3R0.2 C(=O)(Cl)[Au+] TS68420 [1,0,0,0,0,0|2,0,0]=3 371 B3R0.2 C(=O)(F)Cl TS71691 [1,0,0,0,0,0|2,0,0]=3 372 B3R0.2 C(=O)(F)F TS02705 [1,0,0,0,0,0|2,0,0]=3 373 B3R0.2 C(=O)(N)N TS03623 [1,0,0,0,0,0|1,0,0]=2 374 B3R0.2 C(=O)(N)N TS07204 [1,0,0,0,0,0|1,0,0]=2 375 B3R0.2 C(=O)(N)N TS32547 [1,0,0,0,0,0|1,0,0]=2 376 B3R0.2 C(=O)(N)N TS39967 [1,0,0,0,0,0|1,0,0]=2 377 B3R0.2 C(=O)(N)N TS65581 [1,0,0,0,0,0|1,0,0]=2 378 B3R0.2 C(=O)(N)O TS66709 [1,0,0,0,0,0|0,0,0]=1 379 B3R0.2 C(=O)(N)[O-] TS03427 [1,0,0,0,0,0|0,0,1]=2 380 B3R0.2 C(=O)(O)[O-] TS03472 [1,0,0,0,0,0|1,0,0]=2 381 B3R0.2 C(=O)(O)[O-] TS31493 [1,0,0,0,0,0|1,0,0]=2 382 B3R0.2 C(=O)(O)[O-] TS64311 [1,0,0,0,0,0|1,0,0]=2 383 B3R0.2 C(=O)(O)[O-] TS71655 [1,0,0,0,0,0|1,0,0]=2 384 B3R0.2 C(=O)(O)[O-] TS73178 [1,0,0,0,0,0|1,0,0]=2 385 B3R0.2 C(=O)(O)[O-] TS93155 [1,0,0,0,0,0|1,0,0]=2 386 B3R0.2 C(=O)(O)[O-] TS93188 [1,0,0,0,0,0|1,0,0]=2 387 B3R0.2 C(=O)([O-])[O-] TS03387 [1,0,0,0,0,0|1,0,1]=3 388 B3R0.2 C(=O)([O-])[O-] TS03713 [1,0,0,0,0,0|1,0,1]=3 389 B3R0.2 C(=O)([O-])[O-] TS04776 [1,0,0,0,0,0|1,0,1]=3 390 B3R0.2 C(=O)([O-])[O-] TS04890 [1,0,0,0,0,0|1,0,1]=3 391 B3R0.2 C(=O)([O-])[O-] TS04999 [1,0,0,0,0,0|1,0,1]=3 392 B3R0.2 C(=O)([O-])[O-] TS06152 [1,0,0,0,0,0|1,0,1]=3 393 B3R0.2 C(=O)([O-])[O-] TS07394 [1,0,0,0,0,0|1,0,1]=3 394 B3R0.2 C(=O)([O-])[O-] TS10713 [1,0,0,0,0,0|1,0,1]=3 395 B3R0.2 C(=O)([O-])[O-] TS13249 [1,0,0,0,0,0|1,0,1]=3 396 B3R0.2 C(=O)([O-])[O-] TS31492 [1,0,0,0,0,0|1,0,1]=3 397 B3R0.2 C(=O)([O-])[O-] TS31721 [1,0,0,0,0,0|1,0,1]=3 398 B3R0.2 C(=O)([O-])[O-] TS32136 [1,0,0,0,0,0|1,0,1]=3 399 B3R0.2 C(=O)([O-])[O-] TS34910 [1,0,0,0,0,0|1,0,1]=3 400 B3R0.2 C(=O)([O-])[O-] TS36076 [1,0,0,0,0,0|1,0,1]=3 401 B3R0.2 C(=O)([O-])[O-] TS37206 [1,0,0,0,0,0|1,0,1]=3 402 B3R0.2 C(=O)([O-])[O-] TS39946 [1,0,0,0,0,0|1,0,1]=3 403 B3R0.2 C(=O)([O-])[O-] TS40137 [1,0,0,0,0,0|1,0,1]=3 404 B3R0.2 C(=O)([O-])[O-] TS59750 [1,0,0,0,0,0|1,0,1]=3 405 B3R0.2 C(=O)([O-])[O-] TS66263 [1,0,0,0,0,0|1,0,1]=3 406 B3R0.2 C(=O)([O-])[O-] TS71725 [1,0,0,0,0,0|1,0,1]=3 407 B3R0.2 C(=O)([O-])[O-] TS72053 [1,0,0,0,0,0|1,0,1]=3 408 B3R0.2 C(=O)([O-])[O-] TS72210 [1,0,0,0,0,0|1,0,1]=3 409 B3R0.2 C(=O)([O-])[O-] TS72393 [1,0,0,0,0,0|1,0,1]=3 410 B3R0.2 C(=O)([O-])[O-] TS72461 [1,0,0,0,0,0|1,0,1]=3 411 B3R0.2 C(=O)([O-])[O-] TS72660 [1,0,0,0,0,0|1,0,1]=3 412 B3R0.2 C(=O)([O-])[O-] TS73030 [1,0,0,0,0,0|1,0,1]=3 413 B3R0.2 C(=O)([O-])[O-] TS73353 [1,0,0,0,0,0|1,0,1]=3 414 B3R0.2 C(=O)([O-])[O-] TS75534 [1,0,0,0,0,0|1,0,1]=3 415 B3R0.2 C(=O)([O-])[O-] TS83041 [1,0,0,0,0,0|1,0,1]=3 416 B3R0.2 C(=O)([O-])[O-] TS83243 [1,0,0,0,0,0|1,0,1]=3 417 B3R0.2 C(=O)([O-])[O-] TS83378 [1,0,0,0,0,0|1,0,1]=3 418 B3R0.2 C(=O)([O-])[O-] TS83401 [1,0,0,0,0,0|1,0,1]=3 419 B3R0.2 C(=O)([O-])[O-] TS83551 [1,0,0,0,0,0|1,0,1]=3 420 B3R0.2 C(=O)([O-])[O-] TS83636 [1,0,0,0,0,0|1,0,1]=3 421 B3R0.2 C(=O)([O-])[O-] TS84117 [1,0,0,0,0,0|1,0,1]=3 422 B3R0.2 C(=O)([O-])[O-] TS93144 [1,0,0,0,0,0|1,0,1]=3 423 B3R0.2 C(=O)([O-])[O-] TS93580 [1,0,0,0,0,0|1,0,1]=3 424 B3R0.2 C(=O)([O-])[O-] TS94687 [1,0,0,0,0,0|1,0,1]=3 425 B3R0.2 C(=O)([O-])[O-] TS94697 [1,0,0,0,0,0|1,0,1]=3 426 B3R0.2 C(=O)([O-])[O-] TS94719 [1,0,0,0,0,0|1,0,1]=3 427 B3R0.2 C(=O)([O-])[O-] TS94721 [1,0,0,0,0,0|1,0,1]=3 428 B3R0.2 C(=O)([O-])[O-] TS94747 [1,0,0,0,0,0|1,0,1]=3 429 B3R0.2 C(=S)(Cl)Cl TS00283 [1,0,0,0,0,0|2,1,0]=4 430 B3R0.2 C(=S)(N)N TS71645 [1,0,0,0,0,0|1,1,0]=3 431 B3R0.2 C(=S)(N)[O-] TS03674 [1,0,0,0,0,0|0,1,1]=3 432 B3R0.2 C(=[Se])(N)N TS32546 [1,0,0,0,0,0|1,1,0]=3 433 B3R0.2 C=C(Br)Br TS48813 [1,0,0,0,0,0|2,0,1]=4 434 B3R0.2 C=C(Cl)Cl TS03743 [1,0,0,0,0,0|2,0,1]=4 435 B3R0.2 C=C(F)Br TS36039 [1,0,0,0,0,0|2,0,1]=4 436 B3R0.2 C=C(F)Cl TS71674 [1,0,0,0,0,0|2,0,1]=4 437 B3R0.2 C=C(F)F TS02633 [1,0,0,0,0,0|2,0,1]=4 438 B3R0.2 CC(=C)Br TS04851 [1,0,0,0,0,0|2,0,0]=3 439 B3R0.2 CC(=C)C TS02408 [1,0,0,0,0,0|2,0,0]=3 440 B3R0.2 CC(=C)C TS12599 [1,0,0,0,0,0|2,0,0]=3 441 B3R0.2 CC(=C)F TS65582 [1,0,0,0,0,0|2,0,0]=3 442 B3R0.2 CC(=C)I TS43297 [1,0,0,0,0,0|2,0,0]=3 443 B3R0.2 CC(=N)N TS01338 [1,0,0,0,0,0|2,0,0]=3 444 B3R0.2 CC(=N)N TS32338 [1,0,0,0,0,0|2,0,0]=3 445 B3R0.2 CC(=O)Br TS32543 [1,0,0,0,0,0|1,0,0]=2 446 B3R0.2 CC(=O)C TS02420 [1,0,0,0,0,0|1,0,0]=2 447 B3R0.2 CC(=O)C TS42396 [1,0,0,0,0,0|1,0,0]=2 448 B3R0.2 CC(=O)Cl TS71652 [1,0,0,0,0,0|1,0,0]=2 449 B3R0.2 CC(=O)F TS65601 [1,0,0,0,0,0|1,0,0]=2 450 B3R0.2 CC(=O)I TS45073 [1,0,0,0,0,0|1,0,0]=2 451 B3R0.2 CC(=O)N TS02426 [1,0,0,0,0,0|1,0,0]=2 452 B3R0.2 CC(=O)O TS02283 [1,0,0,0,0,0|0,0,0]=1 453 B3R0.2 CC(=O)O TS02432 [1,0,0,0,0,0|0,0,0]=1 454 B3R0.2 CC(=O)O TS06643 [1,0,0,0,0,0|0,0,0]=1 455 B3R0.2 CC(=O)O TS08541 [1,0,0,0,0,0|0,0,0]=1 456 B3R0.2 CC(=O)O TS32397 [1,0,0,0,0,0|0,0,0]=1 457 B3R0.2 CC(=O)O TS65594 [1,0,0,0,0,0|0,0,0]=1 458 B3R0.2 CC(=O)[O-] TS00235 [1,0,0,0,0,0|0,0,1]=2 459 B3R0.2 CC(=O)[O-] TS01392 [1,0,0,0,0,0|0,0,1]=2 460 B3R0.2 CC(=O)[O-] TS03418 [1,0,0,0,0,0|0,0,1]=2 461 B3R0.2 CC(=O)[O-] TS03456 [1,0,0,0,0,0|0,0,1]=2 462 B3R0.2 CC(=O)[O-] TS04787 [1,0,0,0,0,0|0,0,1]=2 463 B3R0.2 CC(=O)[O-] TS04947 [1,0,0,0,0,0|0,0,1]=2 464 B3R0.2 CC(=O)[O-] TS06035 [1,0,0,0,0,0|0,0,1]=2 465 B3R0.2 CC(=O)[O-] TS13953 [1,0,0,0,0,0|0,0,1]=2 466 B3R0.2 CC(=O)[O-] TS18902 [1,0,0,0,0,0|0,0,1]=2 467 B3R0.2 CC(=O)[O-] TS26452 [1,0,0,0,0,0|0,0,1]=2 468 B3R0.2 CC(=O)[O-] TS27546 [1,0,0,0,0,0|0,0,1]=2 469 B3R0.2 CC(=O)[O-] TS29951 [1,0,0,0,0,0|0,0,1]=2 470 B3R0.2 CC(=O)[O-] TS38928 [1,0,0,0,0,0|0,0,1]=2 471 B3R0.2 CC(=O)[O-] TS41886 [1,0,0,0,0,0|0,0,1]=2 472 B3R0.2 CC(=O)[O-] TS43176 [1,0,0,0,0,0|0,0,1]=2 473 B3R0.2 CC(=O)[O-] TS45710 [1,0,0,0,0,0|0,0,1]=2 474 B3R0.2 CC(=O)[O-] TS49663 [1,0,0,0,0,0|0,0,1]=2 475 B3R0.2 CC(=O)[O-] TS55806 [1,0,0,0,0,0|0,0,1]=2 476 B3R0.2 CC(=O)[O-] TS58868 [1,0,0,0,0,0|0,0,1]=2 477 B3R0.2 CC(=O)[O-] TS59815 [1,0,0,0,0,0|0,0,1]=2 478 B3R0.2 CC(=O)[O-] TS62641 [1,0,0,0,0,0|0,0,1]=2 479 B3R0.2 CC(=O)[O-] TS62666 [1,0,0,0,0,0|0,0,1]=2 480 B3R0.2 CC(=O)[O-] TS63478 [1,0,0,0,0,0|0,0,1]=2 481 B3R0.2 CC(=O)[O-] TS64101 [1,0,0,0,0,0|0,0,1]=2 482 B3R0.2 CC(=O)[O-] TS65998 [1,0,0,0,0,0|0,0,1]=2 483 B3R0.2 CC(=O)[O-] TS69697 [1,0,0,0,0,0|0,0,1]=2 484 B3R0.2 CC(=O)[O-] TS69754 [1,0,0,0,0,0|0,0,1]=2 485 B3R0.2 CC(=O)[O-] TS69943 [1,0,0,0,0,0|0,0,1]=2 486 B3R0.2 CC(=O)[O-] TS72196 [1,0,0,0,0,0|0,0,1]=2 487 B3R0.2 CC(=O)[O-] TS73462 [1,0,0,0,0,0|0,0,1]=2 488 B3R0.2 CC(=O)[O-] TS73694 [1,0,0,0,0,0|0,0,1]=2 489 B3R0.2 CC(=O)[O-] TS76815 [1,0,0,0,0,0|0,0,1]=2 490 B3R0.2 CC(=O)[O-] TS77303 [1,0,0,0,0,0|0,0,1]=2 491 B3R0.2 CC(=O)[O-] TS78087 [1,0,0,0,0,0|0,0,1]=2 492 B3R0.2 CC(=O)[O-] TS78184 [1,0,0,0,0,0|0,0,1]=2 493 B3R0.2 CC(=O)[O-] TS78238 [1,0,0,0,0,0|0,0,1]=2 494 B3R0.2 CC(=O)[O-] TS78451 [1,0,0,0,0,0|0,0,1]=2 495 B3R0.2 CC(=O)[O-] TS78756 [1,0,0,0,0,0|0,0,1]=2 496 B3R0.2 CC(=O)[O-] TS78836 [1,0,0,0,0,0|0,0,1]=2 497 B3R0.2 CC(=O)[O-] TS79224 [1,0,0,0,0,0|0,0,1]=2 498 B3R0.2 CC(=O)[O-] TS79279 [1,0,0,0,0,0|0,0,1]=2 499 B3R0.2 CC(=O)[O-] TS79965 [1,0,0,0,0,0|0,0,1]=2 500 B3R0.2 CC(=O)[O-] TS80560 [1,0,0,0,0,0|0,0,1]=2 501 B3R0.2 CC(=O)[O-] TS81725 [1,0,0,0,0,0|0,0,1]=2 502 B3R0.2 CC(=O)[O-] TS82231 [1,0,0,0,0,0|0,0,1]=2 503 B3R0.2 CC(=O)[O-] TS93749 [1,0,0,0,0,0|0,0,1]=2 504 B3R0.2 CC(=O)[O-] TS94725 [1,0,0,0,0,0|0,0,1]=2 505 B3R0.2 CC(=O)[O-] TS94733 [1,0,0,0,0,0|0,0,1]=2 506 B3R0.2 CC(=S)N TS01726 [1,0,0,0,0,0|1,1,0]=3 507 B3R0.2 CC(=S)O TS71644 [1,0,0,0,0,0|0,1,0]=2 508 B3R0.2 CC(=S)[O-] TS00248 [1,0,0,0,0,0|0,1,1]=3 509 B3R0.2 CC(Br)Br TS15883 [1,0,0,0,0,0|2,0,1]=4 510 B3R0.2 CC(C)Br TS00860 [1,0,0,0,0,0|2,0,1]=4 511 B3R0.2 CC(C)C TS02421 [1,0,0,0,0,0|2,0,1]=4 512 B3R0.2 CC(C)Cl TS00076 [1,0,0,0,0,0|2,0,1]=4 513 B3R0.2 CC(C)F TS02440 [1,0,0,0,0,0|2,0,1]=4 514 B3R0.2 CC(C)N TS01924 [1,0,0,0,0,0|2,0,1]=4 515 B3R0.2 CC(C)O TS65587 [1,0,0,0,0,0|1,0,1]=3 516 B3R0.2 CC(C)S TS03409 [1,0,0,0,0,0|1,1,1]=4 517 B3R0.2 CC(C)[O-] TS00285 [1,0,0,0,0,0|1,0,2]=4 518 B3R0.2 CC(C)[O-] TS01956 [1,0,0,0,0,0|1,0,2]=4 519 B3R0.2 CC(C)[O-] TS03787 [1,0,0,0,0,0|1,0,2]=4 520 B3R0.2 CC(C)[O-] TS11045 [1,0,0,0,0,0|1,0,2]=4 521 B3R0.2 CC(C)[O-] TS24723 [1,0,0,0,0,0|1,0,2]=4 522 B3R0.2 CC(C)[O-] TS25988 [1,0,0,0,0,0|1,0,2]=4 523 B3R0.2 CC(C)[O-] TS29590 [1,0,0,0,0,0|1,0,2]=4 524 B3R0.2 CC(C)[O-] TS50088 [1,0,0,0,0,0|1,0,2]=4 525 B3R0.2 CC(C)[O-] TS56090 [1,0,0,0,0,0|1,0,2]=4 526 B3R0.2 CC(C)[O-] TS57337 [1,0,0,0,0,0|1,0,2]=4 527 B3R0.2 CC(C)[O-] TS60765 [1,0,0,0,0,0|1,0,2]=4 528 B3R0.2 CC(C)[O-] TS61265 [1,0,0,0,0,0|1,0,2]=4 529 B3R0.2 CC(C)[O-] TS61382 [1,0,0,0,0,0|1,0,2]=4 530 B3R0.2 CC(C)[O-] TS62375 [1,0,0,0,0,0|1,0,2]=4 531 B3R0.2 CC(C)[O-] TS63485 [1,0,0,0,0,0|1,0,2]=4 532 B3R0.2 CC(C)[O-] TS63487 [1,0,0,0,0,0|1,0,2]=4 533 B3R0.2 CC(C)[O-] TS63938 [1,0,0,0,0,0|1,0,2]=4 534 B3R0.2 CC(C)[O-] TS66142 [1,0,0,0,0,0|1,0,2]=4 535 B3R0.2 CC(C)[O-] TS67052 [1,0,0,0,0,0|1,0,2]=4 536 B3R0.2 CC(C)[O-] TS72330 [1,0,0,0,0,0|1,0,2]=4 537 B3R0.2 CC(C)[O-] TS77323 [1,0,0,0,0,0|1,0,2]=4 538 B3R0.2 CC(C)[O-] TS78714 [1,0,0,0,0,0|1,0,2]=4 539 B3R0.2 CC(C)[O-] TS79015 [1,0,0,0,0,0|1,0,2]=4 540 B3R0.2 CC(C)[O-] TS79109 [1,0,0,0,0,0|1,0,2]=4 541 B3R0.2 CC(C)[S-] TS03781 [1,0,0,0,0,0|1,1,1]=4 542 B3R0.2 CC(Cl)Br TS06900 [1,0,0,0,0,0|2,0,1]=4 543 B3R0.2 CC(Cl)Cl TS31461 [1,0,0,0,0,0|2,0,1]=4 544 B3R0.2 CC(F)Cl TS71693 [1,0,0,0,0,0|2,0,1]=4 545 B3R0.2 CC(F)F TS02706 [1,0,0,0,0,0|2,0,1]=4 546 B3R0.2 CN(C)C TS02428 [1,0,0,0,0,0|3,0,0]=4 547 B3R0.2 CN(C)C TS03598 [1,0,0,0,0,0|3,0,0]=4 548 B3R0.2 CN(C)C TS04077 [1,0,0,0,0,0|3,0,0]=4 549 B3R0.2 CN(C)C TS37301 [1,0,0,0,0,0|3,0,0]=4 550 B3R0.2 CN(C)N TS03741 [1,0,0,0,0,0|3,0,0]=4 551 B3R0.2 CN(C)N TS34594 [1,0,0,0,0,0|3,0,0]=4 552 B3R0.2 CN(C)O TS31413 [1,0,0,0,0,0|2,0,0]=3 553 B3R0.2 CP(C)C TS71641 [1,0,0,0,0,0|3,0,0]=4 554 B3R0.2 CP(C)C TS76280 [1,0,0,0,0,0|3,0,0]=4 555 B3R0.2 CP(C)Cl TS03739 [1,0,0,0,0,0|3,0,0]=4 556 B3R0.2 CP(Cl)Cl TS32263 [1,0,0,0,0,0|3,0,0]=4 557 B3R0.2 CS(=O)[O-] TS93511 [1,0,0,0,0,0|1,0,1]=3 558 B3R0.2 C[Al](C)C TS71595 [1,0,0,0,0,0|3,0,0]=4 559 B3R0.2 C[Al](Cl)Cl TS31991 [1,0,0,0,0,0|3,0,0]=4 560 B3R0.2 C[As](C)C TS32403 [1,0,0,0,0,0|3,0,0]=4 561 B3R0.2 C[As](C)I TS25149 [1,0,0,0,0,0|3,0,0]=4 562 B3R0.2 C[Bi](C)C TS28559 [1,0,0,0,0,0|3,0,0]=4 563 B3R0.2 C[Ga](C)C TS32132 [1,0,0,0,0,0|3,0,0]=4 564 B3R0.2 C[GeH](C)C TS04775 [1,0,0,0,0,0|2,1,0]=4 565 B3R0.2 C[In](C)C TS11202 [1,0,0,0,0,0|3,0,0]=4 566 B3R0.2 C[N+](=C)C TS15411 [1,0,0,0,0,0|3,0,0]=4 567 B3R0.2 C[N+](=O)[O-] TS65593 [1,0,0,0,0,0|1,0,1]=3 568 B3R0.2 C[S+](C)C TS10818 [1,0,0,0,0,0|3,0,0]=4 569 B3R0.2 C[S+](C)C TS59468 [1,0,0,0,0,0|3,0,0]=4 570 B3R0.2 C[Sb](C)C TS43174 [1,0,0,0,0,0|3,0,0]=4 571 B3R0.2 C[SiH](C)C TS71620 [1,0,0,0,0,0|2,1,0]=4 572 B3R0.2 C[SiH](C)Cl TS31361 [1,0,0,0,0,0|2,1,0]=4 573 B3R0.2 C[SiH](C)F TS71650 [1,0,0,0,0,0|2,1,0]=4 574 B3R0.2 C[SiH](F)F TS03465 [1,0,0,0,0,0|2,1,0]=4 575 B3R0.2 C[Sn+](C)C TS59840 [1,0,0,0,0,0|3,0,0]=4 576 B3R0.2 C[Sn](=O)C TS42834 [1,0,0,0,0,0|2,0,0]=3 577 B3R0.2 C[Sn](=S)C TS14707 [1,0,0,0,0,0|2,1,0]=4 578 B3R0.2 N(=O)(=O)O TS83741 [1,0,0,0,0,0|2,0,0]=3 579 B3R0.2 N(=O)(=O)[O-] TS25050 [1,0,0,0,0,0|2,0,1]=4 580 B3R0.2 N(=O)(=O)[O-] TS57626 [1,0,0,0,0,0|2,0,1]=4 581 B3R0.2 N(=O)(=O)[O-] TS62708 [1,0,0,0,0,0|2,0,1]=4 582 B3R0.2 N(=O)(=O)[O-] TS78838 [1,0,0,0,0,0|2,0,1]=4 583 B3R0.2 NP([O-])[O-] TS93149 [1,0,0,0,0,0|1,0,2]=4 584 B3R0.2 O=S(=O)=O TS71662 [1,0,0,0,0,0|2,0,1]=4 585 B3R0.2 O=S(Br)Br TS20466 [1,0,0,0,0,0|3,0,0]=4 586 B3R0.2 O=S(F)F TS03519 [1,0,0,0,0,0|3,0,0]=4 587 B3R0.2 O=[Cr](I)I TS75866 [1,0,0,0,0,0|3,0,0]=4 588 B3R0.2 O=[Hf](Cl)Cl TS81385 [1,0,0,0,0,0|3,0,0]=4 589 B3R0.2 O=[Mo](=O)=O TS40134 [1,0,0,0,0,0|2,0,1]=4 590 B3R0.2 O=[Re](=O)=O TS25525 [1,0,0,0,0,0|2,0,1]=4 591 B3R0.2 O=[W](=O)=O TS25144 [1,0,0,0,0,0|2,0,1]=4 592 B3R0.2 O=[W](=O)=O TS94759 [1,0,0,0,0,0|2,0,1]=4 593 B3R0.2 O=[Zr](Cl)Cl TS53606 [1,0,0,0,0,0|3,0,0]=4 594 B3R0.2 OI(=O)=O TS46027 [1,0,0,0,0,0|2,0,0]=3 595 B3R0.2 OI(=O)=O TS67492 [1,0,0,0,0,0|2,0,0]=3 596 B3R0.2 OP(O)O TS03454 [1,0,0,0,0,0|2,0,1]=4 597 B3R0.2 OP(O)[O-] TS85499 [1,0,0,0,0,0|2,0,1]=4 598 B3R0.2 OP([O-])[O-] TS44780 [1,0,0,0,0,0|2,0,1]=4 599 B3R0.2 OP([O-])[O-] TS84606 [1,0,0,0,0,0|2,0,1]=4 600 B3R0.2 OS(=O)O TS03459 [1,0,0,0,0,0|2,0,0]=3 601 B3R0.2 OS(=O)[O-] TS03814 [1,0,0,0,0,0|2,0,0]=3 602 B3R0.2 OS(=O)[O-] TS05867 [1,0,0,0,0,0|2,0,0]=3 603 B3R0.2 OS(=O)[O-] TS31655 [1,0,0,0,0,0|2,0,0]=3 604 B3R0.2 O[Se](=O)O TS36382 [1,0,0,0,0,0|2,0,0]=3 605 B3R0.2 O[V](=O)=O TS32266 [1,0,0,0,0,0|2,0,0]=3 606 B3R0.2 [2H]C(=O)[O-] TS03081 [1,0,0,0,0,0|1,0,1]=3 607 B3R0.2 [N+](=O)(O)[O-] TS03690 [1,0,0,0,0,0|2,0,0]=3 608 B3R0.2 [N+](=O)([O-])[O-] TS05802 [1,0,0,0,0,0|2,0,1]=4 609 B3R0.2 [N+](=O)([O-])[O-] TS17981 [1,0,0,0,0,0|2,0,1]=4 610 B3R0.2 [N+](=O)([O-])[O-] TS25850 [1,0,0,0,0,0|2,0,1]=4 611 B3R0.2 [N+](=O)([O-])[O-] TS27115 [1,0,0,0,0,0|2,0,1]=4 612 B3R0.2 [N+](=O)([O-])[O-] TS27850 [1,0,0,0,0,0|2,0,1]=4 613 B3R0.2 [N+](=O)([O-])[O-] TS28131 [1,0,0,0,0,0|2,0,1]=4 614 B3R0.2 [N+](=O)([O-])[O-] TS28966 [1,0,0,0,0,0|2,0,1]=4 615 B3R0.2 [N+](=O)([O-])[O-] TS30334 [1,0,0,0,0,0|2,0,1]=4 616 B3R0.2 [N+](=O)([O-])[O-] TS33654 [1,0,0,0,0,0|2,0,1]=4 617 B3R0.2 [N+](=O)([O-])[O-] TS35357 [1,0,0,0,0,0|2,0,1]=4 618 B3R0.2 [N+](=O)([O-])[O-] TS42675 [1,0,0,0,0,0|2,0,1]=4 619 B3R0.2 [N+](=O)([O-])[O-] TS44068 [1,0,0,0,0,0|2,0,1]=4 620 B3R0.2 [N+](=O)([O-])[O-] TS45068 [1,0,0,0,0,0|2,0,1]=4 621 B3R0.2 [N+](=O)([O-])[O-] TS55974 [1,0,0,0,0,0|2,0,1]=4 622 B3R0.2 [N+](=O)([O-])[O-] TS56869 [1,0,0,0,0,0|2,0,1]=4 623 B3R0.2 [N+](=O)([O-])[O-] TS63713 [1,0,0,0,0,0|2,0,1]=4 624 B3R0.2 [N+](=O)([O-])[O-] TS64467 [1,0,0,0,0,0|2,0,1]=4 625 B3R0.2 [N+](=O)([O-])[O-] TS64614 [1,0,0,0,0,0|2,0,1]=4 626 B3R0.2 [N+](=O)([O-])[O-] TS67796 [1,0,0,0,0,0|2,0,1]=4 627 B3R0.2 [N+](=O)([O-])[O-] TS69430 [1,0,0,0,0,0|2,0,1]=4 628 B3R0.2 [N+](=O)([O-])[O-] TS70285 [1,0,0,0,0,0|2,0,1]=4 629 B3R0.2 [N+](=O)([O-])[O-] TS71661 [1,0,0,0,0,0|2,0,1]=4 630 B3R0.2 [N+](=O)([O-])[O-] TS71727 [1,0,0,0,0,0|2,0,1]=4 631 B3R0.2 [N+](=O)([O-])[O-] TS71887 [1,0,0,0,0,0|2,0,1]=4 632 B3R0.2 [N+](=O)([O-])[O-] TS73543 [1,0,0,0,0,0|2,0,1]=4 633 B3R0.2 [N+](=O)([O-])[O-] TS74656 [1,0,0,0,0,0|2,0,1]=4 634 B3R0.2 [N+](=O)([O-])[O-] TS76278 [1,0,0,0,0,0|2,0,1]=4 635 B3R0.2 [N+](=O)([O-])[O-] TS81036 [1,0,0,0,0,0|2,0,1]=4 636 B3R0.2 [N+](=O)([O-])[O-] TS82020 [1,0,0,0,0,0|2,0,1]=4 637 B3R0.2 [N+](=O)([O-])[O-] TS82068 [1,0,0,0,0,0|2,0,1]=4 638 B3R0.2 [N+](=O)([O-])[O-] TS82255 [1,0,0,0,0,0|2,0,1]=4 639 B3R0.2 [N+](=O)([O-])[O-] TS82262 [1,0,0,0,0,0|2,0,1]=4 640 B3R0.2 [N+](=O)([O-])[O-] TS92976 [1,0,0,0,0,0|2,0,1]=4 641 B3R0.2 [N+](=O)([O-])[O-] TS93249 [1,0,0,0,0,0|2,0,1]=4 642 B3R0.2 [N+](=O)([O-])[O-] TS94095 [1,0,0,0,0,0|2,0,1]=4 643 B3R0.2 [N+](=O)([O-])[O-] TS94699 [1,0,0,0,0,0|2,0,1]=4 644 B3R0.2 [N+](=O)([O-])[O-] TS94720 [1,0,0,0,0,0|2,0,1]=4 645 B3R0.2 [N+](=O)([O-])[O-] TS94723 [1,0,0,0,0,0|2,0,1]=4 646 B3R0.2 [N+](=O)([O-])[O-] TS94728 [1,0,0,0,0,0|2,0,1]=4 647 B3R0.2 [O-]Br(=O)=O TS12328 [1,0,0,0,0,0|2,0,1]=4 648 B3R0.2 [O-]Br(=O)=O TS25807 [1,0,0,0,0,0|2,0,1]=4 649 B3R0.2 [O-]Br(=O)=O TS34168 [1,0,0,0,0,0|2,0,1]=4 650 B3R0.2 [O-]Br(=O)=O TS35841 [1,0,0,0,0,0|2,0,1]=4 651 B3R0.2 [O-]Br(=O)=O TS36896 [1,0,0,0,0,0|2,0,1]=4 652 B3R0.2 [O-]Br(=O)=O TS40956 [1,0,0,0,0,0|2,0,1]=4 653 B3R0.2 [O-]Cl(=O)=O TS04109 [1,0,0,0,0,0|2,0,1]=4 654 B3R0.2 [O-]Cl(=O)=O TS04938 [1,0,0,0,0,0|2,0,1]=4 655 B3R0.2 [O-]Cl(=O)=O TS17360 [1,0,0,0,0,0|2,0,1]=4 656 B3R0.2 [O-]Cl(=O)=O TS51291 [1,0,0,0,0,0|2,0,1]=4 657 B3R0.2 [O-]Cl(=O)=O TS53348 [1,0,0,0,0,0|2,0,1]=4 658 B3R0.2 [O-]I(=O)=O TS14859 [1,0,0,0,0,0|2,0,1]=4 659 B3R0.2 [O-]I(=O)=O TS17585 [1,0,0,0,0,0|2,0,1]=4 660 B3R0.2 [O-]I(=O)=O TS53932 [1,0,0,0,0,0|2,0,1]=4 661 B3R0.2 [O-]I(=O)=O TS54582 [1,0,0,0,0,0|2,0,1]=4 662 B3R0.2 [O-]I(=O)=O TS67490 [1,0,0,0,0,0|2,0,1]=4 663 B3R0.2 [O-]I(=O)=O TS70439 [1,0,0,0,0,0|2,0,1]=4 664 B3R0.2 [O-]I(=O)=O TS73235 [1,0,0,0,0,0|2,0,1]=4 665 B3R0.2 [O-]I(=O)=O TS75637 [1,0,0,0,0,0|2,0,1]=4 666 B3R0.2 [O-]I(=O)=O TS76222 [1,0,0,0,0,0|2,0,1]=4 667 B3R0.2 [O-]I(=O)=O TS82623 [1,0,0,0,0,0|2,0,1]=4 668 B3R0.2 [O-]I(=O)=O TS84607 [1,0,0,0,0,0|2,0,1]=4 669 B3R0.2 [O-]P(=O)=O TS04691 [1,0,0,0,0,0|2,0,1]=4 670 B3R0.2 [O-]P(=O)=O TS15749 [1,0,0,0,0,0|2,0,1]=4 671 B3R0.2 [O-]P(=O)=O TS18535 [1,0,0,0,0,0|2,0,1]=4 672 B3R0.2 [O-]P(=O)=O TS32399 [1,0,0,0,0,0|2,0,1]=4 673 B3R0.2 [O-]P(=O)=O TS84151 [1,0,0,0,0,0|2,0,1]=4 674 B3R0.2 [O-]P(=O)=O TS94731 [1,0,0,0,0,0|2,0,1]=4 675 B3R0.2 [O-]P(=O)=O TS94735 [1,0,0,0,0,0|2,0,1]=4 676 B3R0.2 [O-]S(=O)F TS32507 [1,0,0,0,0,0|2,0,1]=4 677 B3R0.2 [O-]S(=O)[O-] TS04049 [1,0,0,0,0,0|2,0,1]=4 678 B3R0.2 [O-]S(=O)[O-] TS04575 [1,0,0,0,0,0|2,0,1]=4 679 B3R0.2 [O-]S(=O)[O-] TS11046 [1,0,0,0,0,0|2,0,1]=4 680 B3R0.2 [O-]S(=O)[O-] TS28294 [1,0,0,0,0,0|2,0,1]=4 681 B3R0.2 [O-]S(=O)[O-] TS32421 [1,0,0,0,0,0|2,0,1]=4 682 B3R0.2 [O-]S(=O)[O-] TS36097 [1,0,0,0,0,0|2,0,1]=4 683 B3R0.2 [O-]S(=O)[O-] TS36905 [1,0,0,0,0,0|2,0,1]=4 684 B3R0.2 [O-]S(=O)[O-] TS43290 [1,0,0,0,0,0|2,0,1]=4 685 B3R0.2 [O-]S(=O)[O-] TS55019 [1,0,0,0,0,0|2,0,1]=4 686 B3R0.2 [O-][Mn](=O)[O-] TS04657 [1,0,0,0,0,0|2,0,1]=4 687 B3R0.2 [O-][Nb](=O)=O TS47816 [1,0,0,0,0,0|2,0,1]=4 688 B3R0.2 [O-][Se](=O)[O-] TS12336 [1,0,0,0,0,0|2,0,1]=4 689 B3R0.2 [O-][Se](=O)[O-] TS17561 [1,0,0,0,0,0|2,0,1]=4 690 B3R0.2 [O-][Se](=O)[O-] TS19931 [1,0,0,0,0,0|2,0,1]=4 691 B3R0.2 [O-][Se](=O)[O-] TS57275 [1,0,0,0,0,0|2,0,1]=4 692 B3R0.2 [O-][Se](=O)[O-] TS78106 [1,0,0,0,0,0|2,0,1]=4 693 B3R0.2 [O-][Si](=O)[O-] TS03612 [1,0,0,0,0,0|1,1,1]=4 694 B3R0.2 [O-][Si](=O)[O-] TS11780 [1,0,0,0,0,0|1,1,1]=4 695 B3R0.2 [O-][Si](=O)[O-] TS21260 [1,0,0,0,0,0|1,1,1]=4 696 B3R0.2 [O-][Si](=O)[O-] TS36911 [1,0,0,0,0,0|1,1,1]=4 697 B3R0.2 [O-][Si](=O)[O-] TS37526 [1,0,0,0,0,0|1,1,1]=4 698 B3R0.2 [O-][Si](=O)[O-] TS93244 [1,0,0,0,0,0|1,1,1]=4 699 B3R0.2 [O-][Sn](=O)[O-] TS17210 [1,0,0,0,0,0|2,0,1]=4 700 B3R0.2 [O-][Sn](=O)[O-] TS20298 [1,0,0,0,0,0|2,0,1]=4 701 B3R0.2 [O-][Sn](=O)[O-] TS21432 [1,0,0,0,0,0|2,0,1]=4 702 B3R0.2 [O-][Sn](=O)[O-] TS27252 [1,0,0,0,0,0|2,0,1]=4 703 B3R0.2 [O-][Sn](=O)[O-] TS67600 [1,0,0,0,0,0|2,0,1]=4 704 B3R0.2 [O-][Sn](=O)[O-] TS73574 [1,0,0,0,0,0|2,0,1]=4 705 B3R0.2 [O-][Ta](=O)=O TS25814 [1,0,0,0,0,0|2,0,1]=4 706 B3R0.2 [O-][Ta](=O)=O TS30483 [1,0,0,0,0,0|2,0,1]=4 707 B3R0.2 [O-][Ta](=O)=O TS63067 [1,0,0,0,0,0|2,0,1]=4 708 B3R0.2 [O-][Te](=O)[O-] TS21209 [1,0,0,0,0,0|2,0,1]=4 709 B3R0.2 [O-][Te](=O)[O-] TS35101 [1,0,0,0,0,0|2,0,1]=4 710 B3R0.2 [O-][Te](=O)[O-] TS50013 [1,0,0,0,0,0|2,0,1]=4 711 B3R0.2 [O-][Te](=O)[O-] TS74179 [1,0,0,0,0,0|2,0,1]=4 712 B3R0.2 [O-][Ti](=O)[O-] TS04174 [1,0,0,0,0,0|2,0,1]=4 713 B3R0.2 [O-][Ti](=O)[O-] TS06029 [1,0,0,0,0,0|2,0,1]=4 714 B3R0.2 [O-][Ti](=O)[O-] TS41475 [1,0,0,0,0,0|2,0,1]=4 715 B3R0.2 [O-][Ti](=O)[O-] TS45720 [1,0,0,0,0,0|2,0,1]=4 716 B3R0.2 [O-][Ti](=O)[O-] TS72150 [1,0,0,0,0,0|2,0,1]=4 717 B3R0.2 [O-][V](=O)=O TS20300 [1,0,0,0,0,0|2,0,1]=4 718 B3R0.2 [O-][V](=O)=O TS31719 [1,0,0,0,0,0|2,0,1]=4 719 B3R0.2 [O-][V](=O)=O TS37326 [1,0,0,0,0,0|2,0,1]=4 720 B3R0.2 [O-][V](=O)=O TS57016 [1,0,0,0,0,0|2,0,1]=4 721 B3R0.2 [O-][Zr](=O)[O-] TS10281 [1,0,0,0,0,0|2,0,1]=4 722 B3R0.2 [O-][Zr](=O)[O-] TS38712 [1,0,0,0,0,0|2,0,1]=4 723 B3R0.2 [O-][Zr](=O)[O-] TS42648 [1,0,0,0,0,0|2,0,1]=4 724 B3R0.2 [O-][Zr](=O)[O-] TS47780 [1,0,0,0,0,0|2,0,1]=4 725 B3R0.2 [O-][Zr](=O)[O-] TS52449 [1,0,0,0,0,0|2,0,1]=4 726 B3R0.2 [O-][Zr](=O)[O-] TS63041 [1,0,0,0,0,0|2,0,1]=4 727 B5R0.1 B(CCC)(O)O TS59317 [0,1,0,0,0,0|2,0,1]=4 728 B5R0.1 C#CCC(=O)O TS03477 [0,1,0,0,0,0|1,0,0]=2 729 B5R0.1 C(#N)NC(=O)N TS31749 [0,1,0,0,0,0|1,0,2]=4 730 B5R0.1 C(=CCl)C(=O)O TS31733 [0,1,0,0,0,0|1,0,1]=3 731 B5R0.1 C(=CCl)C(=O)O TS59459 [0,1,0,0,0,0|1,0,1]=3 732 B5R0.1 C(=CI)C(=O)O TS53940 [0,1,0,0,0,0|1,0,1]=3 733 B5R0.1 C(=O)NC(=O)N TS71797 [0,1,0,0,0,0|2,0,1]=4 734 B5R0.1 C(C#N)C(=O)N TS00078 [0,1,0,0,0,0|1,0,1]=3 735 B5R0.1 C(C#N)C(=O)O TS71730 [0,1,0,0,0,0|0,0,1]=2 736 B5R0.1 C(C#N)C(=S)N TS00976 [0,1,0,0,0,0|1,1,1]=4 737 B5R0.1 C(C=C(Cl)Cl)Cl TS07133 [0,1,0,0,0,0|3,0,0]=4 738 B5R0.1 C(C=C(F)F)Br TS10807 [0,1,0,0,0,0|3,0,0]=4 739 B5R0.1 C(CBr)C(=N)N TS40973 [0,1,0,0,0,0|3,0,0]=4 740 B5R0.1 C(CBr)C(=O)N TS10109 [0,1,0,0,0,0|2,0,0]=3 741 B5R0.1 C(CBr)C(=O)O TS09493 [0,1,0,0,0,0|1,0,0]=2 742 B5R0.1 C(CCl)C(=O)Cl TS00146 [0,1,0,0,0,0|2,0,0]=3 743 B5R0.1 C(CCl)C(=O)N TS04118 [0,1,0,0,0,0|2,0,0]=3 744 B5R0.1 C(CCl)C(=O)O TS04159 [0,1,0,0,0,0|1,0,0]=2 745 B5R0.1 C(CI)C(=O)O TS18918 [0,1,0,0,0,0|1,0,0]=2 746 B5R0.1 C(CN)C(=O)N TS36032 [0,1,0,0,0,0|1,0,0]=2 747 B5R0.1 C(CN)C(=O)O TS02667 [0,1,0,0,0,0|0,0,0]=1 748 B5R0.1 C(CO)C(=O)O TS16373 [0,1,0,0,0,0|1,0,0]=2 749 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [0,1,0,0,0,0|2,0,1]=4 750 B5R0.1 C(CP(=O)O)N TS94065 [0,1,0,0,0,0|1,0,0]=2 751 B5R0.1 C(CS(=O)O)N TS31804 [0,1,0,0,0,0|1,0,0]=2 752 B5R0.1 C(CS)C(=O)O TS04091 [0,1,0,0,0,0|1,0,0]=2 753 B5R0.1 C(OC(=O)Cl)Cl TS36381 [0,1,0,0,0,0|2,0,0]=3 754 B5R0.1 C(SC(=O)N)Cl TS36084 [0,1,0,0,0,0|2,0,0]=3 755 B5R0.1 C=C(CCO)Br TS40970 [0,1,0,0,0,0|3,0,0]=4 756 B5R0.1 C=CCC(=O)O TS03525 [0,1,0,0,0,0|1,0,0]=2 757 B5R0.1 C=CCP(=O)O TS31725 [0,1,0,0,0,0|2,0,0]=3 758 B5R0.1 C=CNC(=O)N TS71741 [0,1,0,0,0,0|2,0,1]=4 759 B5R0.1 C=COC(=O)Cl TS31731 [0,1,0,0,0,0|2,0,1]=4 760 B5R0.1 C=COC(=O)N TS03553 [0,1,0,0,0,0|2,0,1]=4 761 B5R0.1 CC#CC(=O)O TS55183 [0,1,0,0,0,0|1,0,1]=3 762 B5R0.1 CC(=C)CC#N TS03447 [0,1,0,0,0,0|2,0,1]=4 763 B5R0.1 CC(=C)CCO TS71766 [0,1,0,0,0,0|3,0,0]=4 764 B5R0.1 CC(=CCBr)C TS00408 [0,1,0,0,0,0|3,0,0]=4 765 B5R0.1 CC(=CCCl)C TS00047 [0,1,0,0,0,0|3,0,0]=4 766 B5R0.1 CC(=CCN)C TS04881 [0,1,0,0,0,0|2,0,0]=3 767 B5R0.1 CC(=CCN)C TS63606 [0,1,0,0,0,0|2,0,0]=3 768 B5R0.1 CC(=CCN)C TS70656 [0,1,0,0,0,0|2,0,0]=3 769 B5R0.1 CC(=CCO)C TS71763 [0,1,0,0,0,0|3,0,0]=4 770 B5R0.1 CC(=CCO)Cl TS31734 [0,1,0,0,0,0|3,0,0]=4 771 B5R0.1 CC(=CCS)C TS03985 [0,1,0,0,0,0|3,0,0]=4 772 B5R0.1 CC(=O)C=NO TS03554 [0,1,0,0,0,0|1,0,2]=4 773 B5R0.1 CC(=O)CC#N TS04063 [0,1,0,0,0,0|1,0,1]=3 774 B5R0.1 CC(=O)CCO TS39752 [0,1,0,0,0,0|2,0,0]=3 775 B5R0.1 CC(=O)CCS TS31678 [0,1,0,0,0,0|2,0,0]=3 776 B5R0.1 CC(=O)COC TS03573 [0,1,0,0,0,0|2,0,0]=3 777 B5R0.1 CC(=O)CSC TS31685 [0,1,0,0,0,0|2,0,0]=3 778 B5R0.1 CC(=O)NCO TS08902 [0,1,0,0,0,0|2,0,0]=3 779 B5R0.1 CC(=O)NSC TS31708 [0,1,0,0,0,0|3,0,0]=4 780 B5R0.1 CC(=O)OC=C TS03528 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.1 CC(=O)OC=O TS71794 [0,1,0,0,0,0|2,0,1]=4 782 B5R0.1 CC(=O)OCBr TS16534 [0,1,0,0,0,0|2,0,0]=3 783 B5R0.1 CC(=O)OCCl TS55809 [0,1,0,0,0,0|2,0,0]=3 784 B5R0.1 CC(=O)O[Hg]C TS30965 [0,1,0,0,0,0|3,0,0]=4 785 B5R0.1 CC(C)CCN TS71773 [0,1,0,0,0,0|2,0,1]=4 786 B5R0.1 CC(C)CNC TS01600 [0,1,0,0,0,0|2,0,1]=4 787 B5R0.1 CC(C)CNN TS04103 [0,1,0,0,0,0|2,0,1]=4 788 B5R0.1 CC(C)CON TS36090 [0,1,0,0,0,0|2,0,1]=4 789 B5R0.1 CC(CC#C)O TS03487 [0,1,0,0,0,0|2,0,1]=4 790 B5R0.1 CC(CC=C)O TS71743 [0,1,0,0,0,0|2,0,1]=4 791 B5R0.1 CC(CC=O)O TS03574 [0,1,0,0,0,0|2,0,1]=4 792 B5R0.1 CC(CCN)O TS02231 [0,1,0,0,0,0|1,0,1]=3 793 B5R0.1 CC(CCO)O TS71832 [0,1,0,0,0,0|2,0,1]=4 794 B5R0.1 CC(COC)O TS71841 [0,1,0,0,0,0|2,0,1]=4 795 B5R0.1 CC=CC(=O)C TS03499 [0,1,0,0,0,0|2,0,1]=4 796 B5R0.1 CC=CC(=O)Cl TS04051 [0,1,0,0,0,0|2,0,1]=4 797 B5R0.1 CC=CC(=O)N TS03508 [0,1,0,0,0,0|2,0,1]=4 798 B5R0.1 CC=CC(=O)O TS03526 [0,1,0,0,0,0|1,0,1]=3 799 B5R0.1 CC=CC(=O)[O-] TS05036 [0,1,0,0,0,0|1,0,2]=4 800 B5R0.1 CCC=C(C)C TS71718 [0,1,0,0,0,0|3,0,0]=4 801 B5R0.1 CCC=C(F)F TS03652 [0,1,0,0,0,0|3,0,0]=4 802 B5R0.1 CCCC(=C)C TS71722 [0,1,0,0,0,0|3,0,0]=4 803 B5R0.1 CCCC(=N)N TS03542 [0,1,0,0,0,0|3,0,0]=4 804 B5R0.1 CCCC(=N)N TS04952 [0,1,0,0,0,0|3,0,0]=4 805 B5R0.1 CCCC(=O)Br TS40964 [0,1,0,0,0,0|2,0,0]=3 806 B5R0.1 CCCC(=O)C TS71754 [0,1,0,0,0,0|2,0,0]=3 807 B5R0.1 CCCC(=O)Cl TS16539 [0,1,0,0,0,0|2,0,0]=3 808 B5R0.1 CCCC(=O)N TS03561 [0,1,0,0,0,0|2,0,0]=3 809 B5R0.1 CCCC(=O)O TS03572 [0,1,0,0,0,0|1,0,0]=2 810 B5R0.1 CCCC(=O)O TS63934 [0,1,0,0,0,0|1,0,0]=2 811 B5R0.1 CCCC(=O)[O-] TS04184 [0,1,0,0,0,0|1,0,1]=3 812 B5R0.1 CCCC(=O)[O-] TS04232 [0,1,0,0,0,0|1,0,1]=3 813 B5R0.1 CCCC(=O)[O-] TS44539 [0,1,0,0,0,0|1,0,1]=3 814 B5R0.1 CCCC(=S)Cl TS37257 [0,1,0,0,0,0|2,1,0]=4 815 B5R0.1 CCCC(=S)O TS04825 [0,1,0,0,0,0|1,1,0]=3 816 B5R0.1 CCCC(C)O TS03596 [0,1,0,0,0,0|2,0,1]=4 817 B5R0.1 CCC[C@@H](C)O TS71801 [0,1,0,0,0,0|2,0,1]=4 818 B5R0.1 CCC[C@H](C)O TS71800 [0,1,0,0,0,0|2,0,1]=4 819 B5R0.1 CCC[N+](=O)[O-] TS71821 [0,1,0,0,0,0|2,0,1]=4 820 B5R0.1 CCNC(=N)N TS04994 [0,1,0,0,0,0|3,0,0]=4 821 B5R0.1 CCNC(=O)C TS03563 [0,1,0,0,0,0|2,0,0]=3 822 B5R0.1 CCNC(=O)N TS03591 [0,1,0,0,0,0|2,0,0]=3 823 B5R0.1 CCNC(=S)N TS31687 [0,1,0,0,0,0|2,1,0]=4 824 B5R0.1 CCNC(=[NH2+])N TS56393 [0,1,0,0,0,0|3,0,0]=4 825 B5R0.1 CCOC(=C)C TS71753 [0,1,0,0,0,0|3,0,0]=4 826 B5R0.1 CCOC(=O)C TS03585 [0,1,0,0,0,0|2,0,0]=3 827 B5R0.1 CCOC(=O)C TS03625 [0,1,0,0,0,0|2,0,0]=3 828 B5R0.1 CCOC(=O)C TS71827 [0,1,0,0,0,0|2,0,0]=3 829 B5R0.1 CCOC(=O)Cl TS56143 [0,1,0,0,0,0|2,0,0]=3 830 B5R0.1 CCOC(=O)N TS59479 [0,1,0,0,0,0|2,0,0]=3 831 B5R0.1 CCOC(=S)C TS31684 [0,1,0,0,0,0|2,1,0]=4 832 B5R0.1 CCOC(=S)Cl TS36034 [0,1,0,0,0,0|2,1,0]=4 833 B5R0.1 CCSC(=S)C TS32440 [0,1,0,0,0,0|2,1,0]=4 834 B5R0.1 CN(C)CCN TS00990 [0,1,0,0,0,0|3,0,0]=4 835 B5R0.1 CNCC(=O)N TS36031 [0,1,0,0,0,0|1,0,0]=2 836 B5R0.1 CNCC(=O)O TS34582 [0,1,0,0,0,0|0,0,0]=1 837 B5R0.1 CNCC(=O)O TS36080 [0,1,0,0,0,0|0,0,0]=1 838 B5R0.1 CNCC(=O)[O-] TS04231 [0,1,0,0,0,0|0,0,1]=2 839 B5R0.1 COCC(=N)N TS36030 [0,1,0,0,0,0|3,0,0]=4 840 B5R0.1 COCC(=O)O TS03620 [0,1,0,0,0,0|1,0,0]=2 841 B5R0.1 CSCC(=N)N TS31686 [0,1,0,0,0,0|3,0,0]=4 842 B5R0.1 CSCC(=O)N TS93570 [0,1,0,0,0,0|2,0,0]=3 843 B5R0.1 CSCS(=O)C TS05065 [0,1,0,0,0,0|3,0,0]=4 844 B5R0.1 C[C@@H](CC#N)O TS71734 [0,1,0,0,0,0|1,0,2]=4 845 B5R0.1 C[C@@H](CCO)O TS71843 [0,1,0,0,0,0|2,0,1]=4 846 B5R0.1 C[C@@H](COC)O TS71834 [0,1,0,0,0,0|2,0,1]=4 847 B5R0.1 C[C@H](CC#N)O TS03507 [0,1,0,0,0,0|1,0,2]=4 848 B5R0.1 C[C@H](CC=C)O TS03535 [0,1,0,0,0,0|2,0,1]=4 849 B5R0.1 C[C@H](CCO)O TS71835 [0,1,0,0,0,0|2,0,1]=4 850 B5R0.1 C[C@H](COC)O TS00301 [0,1,0,0,0,0|2,0,1]=4 851 B5R0.3 C(=N)(NN)NN TS36082 [0,1,0,0,0,0|3,0,0]=4 852 B5R0.3 C(=O)(NN)NN TS03626 [0,1,0,0,0,0|2,0,0]=3 853 B5R0.3 C(=O)(NN)NO TS03641 [0,1,0,0,0,0|1,0,0]=2 854 B5R0.3 C(=S)(NN)NN TS04094 [0,1,0,0,0,0|2,1,0]=4 855 B5R0.3 C(C(=CBr)Br)O TS21960 [0,1,0,0,0,0|2,0,1]=4 856 B5R0.3 C(C(=CCl)Cl)Cl TS07134 [0,1,0,0,0,0|3,0,0]=4 857 B5R0.3 C(C(=O)CBr)Br TS21961 [0,1,0,0,0,0|2,0,0]=3 858 B5R0.3 C(C(=O)CCl)Cl TS36200 [0,1,0,0,0,0|2,0,0]=3 859 B5R0.3 C(C(=O)CF)F TS03661 [0,1,0,0,0,0|2,0,0]=3 860 B5R0.3 C(C(=O)CI)I TS60842 [0,1,0,0,0,0|2,0,0]=3 861 B5R0.3 C(C(=O)CN)N TS11357 [0,1,0,0,0,0|1,0,0]=2 862 B5R0.3 C(C(=O)CO)O TS46803 [0,1,0,0,0,0|1,0,0]=2 863 B5R0.3 C(C(C=O)O)O TS47844 [0,1,0,0,0,0|1,0,1]=3 864 B5R0.3 C(C(CBr)Br)O TS22312 [0,1,0,0,0,0|2,0,1]=4 865 B5R0.3 C(C(CBr)O)Br TS22311 [0,1,0,0,0,0|2,0,1]=4 866 B5R0.3 C(C(CBr)O)F TS10809 [0,1,0,0,0,0|2,0,1]=4 867 B5R0.3 C(C(CBr)O)O TS10534 [0,1,0,0,0,0|1,0,2]=4 868 B5R0.3 C(C(CCl)Cl)O TS36383 [0,1,0,0,0,0|2,0,1]=4 869 B5R0.3 C(C(CCl)O)Cl TS07880 [0,1,0,0,0,0|2,0,1]=4 870 B5R0.3 C(C(CCl)O)F TS31988 [0,1,0,0,0,0|2,0,1]=4 871 B5R0.3 C(C(CCl)O)O TS08669 [0,1,0,0,0,0|1,0,2]=4 872 B5R0.3 C(C(CF)O)F TS03710 [0,1,0,0,0,0|2,0,1]=4 873 B5R0.3 C(C(CN)O)N TS46792 [0,1,0,0,0,0|1,0,1]=3 874 B5R0.3 C(C(CO)N)O TS65262 [0,1,0,0,0,0|2,0,1]=4 875 B5R0.3 C(C(CO)N)O TS65263 [0,1,0,0,0,0|2,0,1]=4 876 B5R0.3 C(C(CO)N)O TS74211 [0,1,0,0,0,0|2,0,1]=4 877 B5R0.3 C(C(CO)O)N TS39698 [0,1,0,0,0,0|0,0,2]=3 878 B5R0.3 C(C(CO)O)O TS03653 [0,1,0,0,0,0|1,0,2]=4 879 B5R0.3 C(C(CO)O)O TS64624 [0,1,0,0,0,0|1,0,2]=4 880 B5R0.3 C(C(CO)O)O TS93602 [0,1,0,0,0,0|1,0,2]=4 881 B5R0.3 C(C(CS)O)O TS31781 [0,1,0,0,0,0|1,0,2]=4 882 B5R0.3 C(C(CS)S)O TS47162 [0,1,0,0,0,0|1,1,1]=4 883 B5R0.3 C([C@@H](C=O)O)O TS03618 [0,1,0,0,0,0|1,0,1]=3 884 B5R0.3 C([C@@H](C=O)O)O TS08118 [0,1,0,0,0,0|1,0,1]=3 885 B5R0.3 C([C@@H](CBr)O)O TS10532 [0,1,0,0,0,0|1,0,2]=4 886 B5R0.3 C([C@@H](CCl)O)N TS93716 [0,1,0,0,0,0|1,0,1]=3 887 B5R0.3 C([C@@H](CCl)O)O TS59492 [0,1,0,0,0,0|1,0,2]=4 888 B5R0.3 C([C@@H](CO)O)N TS05290 [0,1,0,0,0,0|0,0,2]=3 889 B5R0.3 C([C@@H](CO)O)N TS08134 [0,1,0,0,0,0|0,0,2]=3 890 B5R0.3 C([C@H](C=O)O)O TS07853 [0,1,0,0,0,0|1,0,1]=3 891 B5R0.3 C([C@H](CBr)O)O TS10533 [0,1,0,0,0,0|1,0,2]=4 892 B5R0.3 C([C@H](CO)O)N TS08079 [0,1,0,0,0,0|0,0,2]=3 893 B5R0.3 C=C(CCl)CCl TS39712 [0,1,0,0,0,0|3,0,0]=4 894 B5R0.3 C=C(CO)CO TS65602 [0,1,0,0,0,0|2,0,0]=3 895 B5R0.3 C=CC(=O)CBr TS00417 [0,1,0,0,0,0|2,0,0]=3 896 B5R0.3 C=CC(CBr)O TS40965 [0,1,0,0,0,0|2,0,1]=4 897 B5R0.3 C=CC(CO)O TS03577 [0,1,0,0,0,0|2,0,1]=4 898 B5R0.3 C=C[C@@H](CO)O TS03582 [0,1,0,0,0,0|2,0,1]=4 899 B5R0.3 C=C[C@H](CO)O TS03583 [0,1,0,0,0,0|2,0,1]=4 900 B5R0.3 CC(=CN)C=O TS07741 [0,1,0,0,0,0|1,0,1]=3 901 B5R0.3 CC(CO)CO TS71833 [0,1,0,0,0,0|2,0,1]=4 902 B5R0.3 CC=C(C)C=O TS03488 [0,1,0,0,0,0|2,0,1]=4 903 B5R0.3 CC=C(C=O)Cl TS04052 [0,1,0,0,0,0|2,0,1]=4 904 B5R0.3 CC=C(CO)Br TS40966 [0,1,0,0,0,0|2,0,1]=4 905 B5R0.3 CCC(=C)C=C TS71686 [0,1,0,0,0,0|3,0,0]=4 906 B5R0.3 CCC(=C)CC TS71714 [0,1,0,0,0,0|3,0,0]=4 907 B5R0.3 CCC(=NO)C TS03558 [0,1,0,0,0,0|2,0,0]=3 908 B5R0.3 CCC(=O)C=C TS03496 [0,1,0,0,0,0|2,0,0]=3 909 B5R0.3 CCC(=O)C=O TS03524 [0,1,0,0,0,0|1,0,1]=3 910 B5R0.3 CCC(=O)CBr TS00020 [0,1,0,0,0,0|2,0,0]=3 911 B5R0.3 CCC(=O)CC TS00240 [0,1,0,0,0,0|2,0,0]=3 912 B5R0.3 CCC(=O)CCl TS31736 [0,1,0,0,0,0|2,0,0]=3 913 B5R0.3 CCC(=O)CO TS05538 [0,1,0,0,0,0|1,0,0]=2 914 B5R0.3 CCC(=O)NC TS03562 [0,1,0,0,0,0|2,0,0]=3 915 B5R0.3 CCC(=O)NN TS03589 [0,1,0,0,0,0|2,0,0]=3 916 B5R0.3 CCC(=O)OC TS03587 [0,1,0,0,0,0|1,0,0]=2 917 B5R0.3 CCC(=S)OC TS31680 [0,1,0,0,0,0|1,1,0]=3 918 B5R0.3 CCC(C#C)O TS03494 [0,1,0,0,0,0|2,0,1]=4 919 B5R0.3 CCC(C#N)O TS03503 [0,1,0,0,0,0|2,0,1]=4 920 B5R0.3 CCC(C)C=O TS03536 [0,1,0,0,0,0|2,0,1]=4 921 B5R0.3 CCC(C)CN TS71788 [0,1,0,0,0,0|2,0,1]=4 922 B5R0.3 CCC(C)CO TS03593 [0,1,0,0,0,0|2,0,1]=4 923 B5R0.3 CCC(C)OC TS71803 [0,1,0,0,0,0|2,0,1]=4 924 B5R0.3 CCC(C)ON TS36089 [0,1,0,0,0,0|2,0,1]=4 925 B5R0.3 CCC(C=C)O TS71760 [0,1,0,0,0,0|2,0,1]=4 926 B5R0.3 CCC(CBr)O TS10270 [0,1,0,0,0,0|2,0,1]=4 927 B5R0.3 CCC(CC)O TS00239 [0,1,0,0,0,0|2,0,1]=4 928 B5R0.3 CCC(CN)N TS71807 [0,1,0,0,0,0|2,0,1]=4 929 B5R0.3 CCC(CN)O TS03604 [0,1,0,0,0,0|1,0,1]=3 930 B5R0.3 CCC(CO)N TS03601 [0,1,0,0,0,0|2,0,1]=4 931 B5R0.3 CCN(C)N=O TS03588 [0,1,0,0,0,0|3,0,0]=4 932 B5R0.3 CCN(CC)O TS03599 [0,1,0,0,0,0|3,0,0]=4 933 B5R0.3 CCS(=O)CC TS04104 [0,1,0,0,0,0|3,0,0]=4 934 B5R0.3 CC[C@@H](CO)O TS71836 [0,1,0,0,0,0|1,0,2]=4 935 B5R0.3 CC[C@H](CO)N TS03605 [0,1,0,0,0,0|2,0,1]=4 936 B5R0.3 CC[C@H](CO)O TS71838 [0,1,0,0,0,0|1,0,2]=4 937 B5R0.3 CC[Sn](=O)CC TS17584 [0,1,0,0,0,0|3,0,0]=4 938 B5R0.3 CNC(=O)CCl TS04119 [0,1,0,0,0,0|2,0,0]=3 939 B5R0.3 CNC(=O)CN TS36033 [0,1,0,0,0,0|1,0,0]=2 940 B5R0.3 CNC(=O)NC TS08682 [0,1,0,0,0,0|3,0,0]=4 941 B5R0.3 CNC(=S)NN TS31709 [0,1,0,0,0,0|2,1,0]=4 942 B5R0.3 COC(=O)C#C TS01555 [0,1,0,0,0,0|1,0,1]=3 943 B5R0.3 COC(=O)C#N TS71728 [0,1,0,0,0,0|0,0,2]=3 944 B5R0.3 COC(=O)C=C TS03529 [0,1,0,0,0,0|1,0,1]=3 945 B5R0.3 COC(=O)C=O TS65230 [0,1,0,0,0,0|1,0,1]=3 946 B5R0.3 COC(=O)CBr TS08895 [0,1,0,0,0,0|1,0,0]=2 947 B5R0.3 COC(=O)CCl TS39826 [0,1,0,0,0,0|1,0,0]=2 948 B5R0.3 COC(=O)CF TS65235 [0,1,0,0,0,0|1,0,0]=2 949 B5R0.3 COC(=O)CN TS36079 [0,1,0,0,0,0|0,0,0]=1 950 B5R0.3 COC(=O)CN TS93910 [0,1,0,0,0,0|0,0,0]=1 951 B5R0.3 COC(=O)CO TS03617 [0,1,0,0,0,0|1,0,0]=2 952 B5R0.3 COC(=O)CS TS39888 [0,1,0,0,0,0|1,0,0]=2 953 B5R0.3 COC(=O)NN TS65196 [0,1,0,0,0,0|1,0,0]=2 954 B5R0.3 COC(=O)OC TS33240 [0,1,0,0,0,0|2,0,0]=3 955 B5R0.3 COC(=O)SCl TS36190 [0,1,0,0,0,0|2,0,0]=3 956 B5R0.3 COS(=O)OC TS31831 [0,1,0,0,0,0|3,0,0]=4 957 B5R0.3 CSC(=O)SC TS04928 [0,1,0,0,0,0|2,1,0]=4 958 B5R0.3 C[C@@H](CO)CBr TS10268 [0,1,0,0,0,0|2,0,1]=4 959 B5R0.3 C[C@H](CO)CBr TS10271 [0,1,0,0,0,0|2,0,1]=4 960 B5R0.4 C(C(F)(F)F)N TS85425 [0,1,0,0,0,0|2,0,1]=4 961 B5R0.4 C(C(F)(F)F)N TS85426 [0,1,0,0,0,0|2,0,1]=4 962 B5R0.4 C(N)P(=O)(O)O TS04230 [0,1,0,0,0,0|1,0,0]=2 963 B5R0.4 C(N)P(=O)(O)O TS07385 [0,1,0,0,0,0|1,0,0]=2 964 B5R0.4 C(N)S(=O)(=O)O TS04248 [0,1,0,0,0,0|1,0,0]=2 965 B5R0.4 C(P(=O)(O)O)Cl TS36562 [0,1,0,0,0,0|2,0,0]=3 966 B5R0.4 C(S(=O)(=O)Cl)Cl TS07530 [0,1,0,0,0,0|2,0,1]=4 967 B5R0.4 C(S(=O)(=O)[O-])I TS61929 [0,1,0,0,0,0|2,0,1]=4 968 B5R0.4 C=CP(=O)(O)O TS04128 [0,1,0,0,0,0|2,0,1]=4 969 B5R0.4 C=CS(=O)(=O)O TS31764 [0,1,0,0,0,0|2,0,1]=4 970 B5R0.4 CC(C)(C)CN TS48743 [0,1,0,0,0,0|2,0,1]=4 971 B5R0.4 CC(C)(C)CN TS71779 [0,1,0,0,0,0|2,0,1]=4 972 B5R0.4 CC(C)(CCl)O TS04161 [0,1,0,0,0,0|2,0,1]=4 973 B5R0.4 CC(C)(CN)N TS94127 [0,1,0,0,0,0|2,0,1]=4 974 B5R0.4 CC(C)(CO)O TS71839 [0,1,0,0,0,0|2,0,1]=4 975 B5R0.4 CC(CN)(F)F TS36635 [0,1,0,0,0,0|2,0,1]=4 976 B5R0.4 CCC(C)(C)O TS02090 [0,1,0,0,0,0|2,0,1]=4 977 B5R0.4 CCP(=O)(O)O TS04177 [0,1,0,0,0,0|2,0,0]=3 978 B5R0.4 CCS(=O)(=O)C TS31782 [0,1,0,0,0,0|2,0,1]=4 979 B5R0.4 CCS(=O)(=O)Cl TS36380 [0,1,0,0,0,0|2,0,1]=4 980 B5R0.4 CCS(=O)(=O)N TS01909 [0,1,0,0,0,0|2,0,1]=4 981 B5R0.4 CCS(=O)(=O)O TS31833 [0,1,0,0,0,0|2,0,0]=3 982 B5R0.4 CCS(=O)(=O)[O-] TS93866 [0,1,0,0,0,0|2,0,1]=4 983 B5R0.4 CNS(=O)(=O)O TS04249 [0,1,0,0,0,0|3,0,0]=4 984 B5R0.4 COP(=O)(C)O TS04178 [0,1,0,0,0,0|3,0,0]=4 985 B5R0.4 CP(=O)(CCl)Cl TS40484 [0,1,0,0,0,0|3,0,0]=4 986 B5R0.4 CS(=O)(=O)NN TS59792 [0,1,0,0,0,0|2,0,1]=4 987 B5R0.4 C[Si](C)(C)CN TS31648 [0,1,0,0,0,0|2,1,0]=4 988 B5R0.4 NOS(=O)(=O)O TS01919 [0,1,0,0,0,0|2,0,0]=3 989 B5R0.5 B(C(C)C)(O)O TS56191 [0,1,0,0,0,0|2,0,1]=4 990 B5R0.5 C(=N)(N)S(=O)O TS31766 [0,1,0,0,0,0|1,0,1]=3 991 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [0,1,0,0,0,0|2,0,1]=4 992 B5R0.5 C(=O)(C(=O)F)F TS71886 [0,1,0,0,0,0|2,0,1]=4 993 B5R0.5 C(=O)(C(=O)N)N TS03568 [0,1,0,0,0,0|1,0,1]=3 994 B5R0.5 C(=O)(C(=O)O)N TS01624 [0,1,0,0,0,0|0,0,1]=2 995 B5R0.5 C(=O)(C(=O)O)O TS03614 [0,1,0,0,0,0|1,0,1]=3 996 B5R0.5 C(=O)(C(=O)O)O TS07631 [0,1,0,0,0,0|1,0,1]=3 997 B5R0.5 C(=O)(C(=O)O)O TS11826 [0,1,0,0,0,0|1,0,1]=3 998 B5R0.5 C(=O)(C(=O)O)O TS40816 [0,1,0,0,0,0|1,0,1]=3 999 B5R0.5 C(=O)(C(=O)O)O TS63351 [0,1,0,0,0,0|1,0,1]=3 1000 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [0,1,0,0,0,0|0,0,2]=3 1001 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [0,1,0,0,0,0|0,0,2]=3 1002 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [0,1,0,0,0,0|1,0,1]=3 1003 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [0,1,0,0,0,0|1,0,1]=3 1004 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [0,1,0,0,0,0|1,0,2]=4 1005 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [0,1,0,0,0,0|1,0,2]=4 1006 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [0,1,0,0,0,0|1,0,2]=4 1007 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [0,1,0,0,0,0|1,0,2]=4 1008 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [0,1,0,0,0,0|1,0,2]=4 1009 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [0,1,0,0,0,0|1,0,2]=4 1010 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [0,1,0,0,0,0|1,0,2]=4 1011 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [0,1,0,0,0,0|1,0,2]=4 1012 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [0,1,0,0,0,0|1,0,2]=4 1013 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [0,1,0,0,0,0|1,0,2]=4 1014 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [0,1,0,0,0,0|1,0,2]=4 1015 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [0,1,0,0,0,0|1,0,2]=4 1016 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [0,1,0,0,0,0|1,0,2]=4 1017 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [0,1,0,0,0,0|1,0,2]=4 1018 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [0,1,0,0,0,0|1,0,2]=4 1019 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [0,1,0,0,0,0|1,0,2]=4 1020 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [0,1,0,0,0,0|1,0,2]=4 1021 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [0,1,0,0,0,0|1,0,2]=4 1022 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [0,1,0,0,0,0|1,0,2]=4 1023 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [0,1,0,0,0,0|1,0,2]=4 1024 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [0,1,0,0,0,0|1,0,2]=4 1025 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [0,1,0,0,0,0|1,0,2]=4 1026 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [0,1,0,0,0,0|1,0,2]=4 1027 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [0,1,0,0,0,0|1,0,2]=4 1028 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [0,1,0,0,0,0|1,0,2]=4 1029 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [0,1,0,0,0,0|1,0,2]=4 1030 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [0,1,0,0,0,0|1,0,2]=4 1031 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [0,1,0,0,0,0|1,0,2]=4 1032 B5R0.5 C(=S)(C(=S)N)N TS32428 [0,1,0,0,0,0|1,1,1]=4 1033 B5R0.5 C(=S)(N)[NH2+](=O)[O-] TS31765 [0,1,0,0,0,0|1,0,2]=4 1034 B5R0.5 C(C(=N)N)(Cl)Cl TS36201 [0,1,0,0,0,0|3,0,0]=4 1035 B5R0.5 C(C(=O)Cl)(Cl)Cl TS07381 [0,1,0,0,0,0|2,0,0]=3 1036 B5R0.5 C(C(=O)Cl)(F)Cl TS36580 [0,1,0,0,0,0|2,0,0]=3 1037 B5R0.5 C(C(=O)Cl)(F)F TS32127 [0,1,0,0,0,0|2,0,0]=3 1038 B5R0.5 C(C(=O)F)(Cl)Cl TS36581 [0,1,0,0,0,0|2,0,0]=3 1039 B5R0.5 C(C(=O)F)(F)Cl TS32128 [0,1,0,0,0,0|2,0,0]=3 1040 B5R0.5 C(C(=O)F)(F)F TS31418 [0,1,0,0,0,0|2,0,0]=3 1041 B5R0.5 C(C(=O)N)(Cl)Cl TS05298 [0,1,0,0,0,0|2,0,0]=3 1042 B5R0.5 C(C(=O)N)(F)Br TS41564 [0,1,0,0,0,0|2,0,0]=3 1043 B5R0.5 C(C(=O)N)(F)Cl TS31896 [0,1,0,0,0,0|2,0,0]=3 1044 B5R0.5 C(C(=O)N)(F)F TS03689 [0,1,0,0,0,0|2,0,0]=3 1045 B5R0.5 C(C(=O)N)(F)I TS38361 [0,1,0,0,0,0|2,0,0]=3 1046 B5R0.5 C(C(=O)O)(Br)Br TS22308 [0,1,0,0,0,0|1,0,0]=2 1047 B5R0.5 C(C(=O)O)(Cl)Br TS45685 [0,1,0,0,0,0|1,0,0]=2 1048 B5R0.5 C(C(=O)O)(F)Cl TS31986 [0,1,0,0,0,0|1,0,0]=2 1049 B5R0.5 C(C(=O)O)(F)F TS01438 [0,1,0,0,0,0|1,0,0]=2 1050 B5R0.5 C(C(=O)[O-])(Cl)Cl TS55848 [0,1,0,0,0,0|1,0,1]=3 1051 B5R0.5 C(C(=O)[O-])(F)Br TS14323 [0,1,0,0,0,0|1,0,1]=3 1052 B5R0.5 C(C(=O)[O-])(F)Cl TS05935 [0,1,0,0,0,0|1,0,1]=3 1053 B5R0.5 C(C(=O)[O-])(F)F TS31570 [0,1,0,0,0,0|1,0,1]=3 1054 B5R0.5 C=C(C(=O)Cl)F TS04157 [0,1,0,0,0,0|2,0,1]=4 1055 B5R0.5 C=C(C(=O)O)Br TS40957 [0,1,0,0,0,0|1,0,1]=3 1056 B5R0.5 C=C(C(=O)O)Cl TS31732 [0,1,0,0,0,0|1,0,1]=3 1057 B5R0.5 C=C(C(=O)O)F TS03616 [0,1,0,0,0,0|1,0,1]=3 1058 B5R0.5 C=C(C(=O)[O-])Cl TS36375 [0,1,0,0,0,0|1,0,2]=4 1059 B5R0.5 CC(=C)C(=O)C TS03485 [0,1,0,0,0,0|2,0,1]=4 1060 B5R0.5 CC(=C)C(=O)Cl TS56226 [0,1,0,0,0,0|2,0,1]=4 1061 B5R0.5 CC(=C)C(=O)F TS03570 [0,1,0,0,0,0|2,0,1]=4 1062 B5R0.5 CC(=C)C(=O)N TS71737 [0,1,0,0,0,0|2,0,1]=4 1063 B5R0.5 CC(=C)C(=O)O TS56224 [0,1,0,0,0,0|1,0,1]=3 1064 B5R0.5 CC(=C)C(=O)[O-] TS03649 [0,1,0,0,0,0|1,0,2]=4 1065 B5R0.5 CC(=C)C(=O)[O-] TS04134 [0,1,0,0,0,0|1,0,2]=4 1066 B5R0.5 CC(=C)C(=O)[O-] TS17588 [0,1,0,0,0,0|1,0,2]=4 1067 B5R0.5 CC(=C)C(=O)[O-] TS17954 [0,1,0,0,0,0|1,0,2]=4 1068 B5R0.5 CC(=C)C(=O)[O-] TS20934 [0,1,0,0,0,0|1,0,2]=4 1069 B5R0.5 CC(=C)C(=O)[O-] TS25799 [0,1,0,0,0,0|1,0,2]=4 1070 B5R0.5 CC(=C)C(=O)[O-] TS35997 [0,1,0,0,0,0|1,0,2]=4 1071 B5R0.5 CC(=C)C(=O)[O-] TS45223 [0,1,0,0,0,0|1,0,2]=4 1072 B5R0.5 CC(=C)C(=O)[O-] TS60851 [0,1,0,0,0,0|1,0,2]=4 1073 B5R0.5 CC(=C)C(=O)[O-] TS67081 [0,1,0,0,0,0|1,0,2]=4 1074 B5R0.5 CC(=C)C(=O)[O-] TS68528 [0,1,0,0,0,0|1,0,2]=4 1075 B5R0.5 CC(=C)C(=O)[O-] TS70135 [0,1,0,0,0,0|1,0,2]=4 1076 B5R0.5 CC(=C)C(=O)[O-] TS78671 [0,1,0,0,0,0|1,0,2]=4 1077 B5R0.5 CC(=O)C(=O)C TS03530 [0,1,0,0,0,0|2,0,1]=4 1078 B5R0.5 CC(=O)C(=O)O TS71795 [0,1,0,0,0,0|1,0,1]=3 1079 B5R0.5 CC(=O)C(=O)[O-] TS04176 [0,1,0,0,0,0|1,0,2]=4 1080 B5R0.5 CC(=O)C(=O)[O-] TS36114 [0,1,0,0,0,0|1,0,2]=4 1081 B5R0.5 CC(=O)C(=O)[O-] TS44476 [0,1,0,0,0,0|1,0,2]=4 1082 B5R0.5 CC(=O)C(=O)[O-] TS71885 [0,1,0,0,0,0|1,0,2]=4 1083 B5R0.5 CC(=O)C(Cl)Cl TS36198 [0,1,0,0,0,0|2,0,0]=3 1084 B5R0.5 CC(=O)C(F)F TS03662 [0,1,0,0,0,0|2,0,0]=3 1085 B5R0.5 CC(=O)C(O)O TS46028 [0,1,0,0,0,0|2,0,0]=3 1086 B5R0.5 CC(=O)N(C)C TS03557 [0,1,0,0,0,0|3,0,0]=4 1087 B5R0.5 CC(C(=C)C)O TS71758 [0,1,0,0,0,0|3,0,0]=4 1088 B5R0.5 CC(C(=O)Br)Br TS93904 [0,1,0,0,0,0|2,0,0]=3 1089 B5R0.5 CC(C(=O)C)Br TS40972 [0,1,0,0,0,0|2,0,0]=3 1090 B5R0.5 CC(C(=O)C)Cl TS31738 [0,1,0,0,0,0|2,0,0]=3 1091 B5R0.5 CC(C(=O)C)F TS71828 [0,1,0,0,0,0|2,0,0]=3 1092 B5R0.5 CC(C(=O)C)O TS03581 [0,1,0,0,0,0|2,0,0]=3 1093 B5R0.5 CC(C(=O)C)S TS60015 [0,1,0,0,0,0|2,0,0]=3 1094 B5R0.5 CC(C(=O)Cl)Br TS45375 [0,1,0,0,0,0|2,0,0]=3 1095 B5R0.5 CC(C(=O)Cl)Cl TS36199 [0,1,0,0,0,0|2,0,0]=3 1096 B5R0.5 CC(C(=O)N)Br TS10108 [0,1,0,0,0,0|2,0,0]=3 1097 B5R0.5 CC(C(=O)N)Cl TS04116 [0,1,0,0,0,0|2,0,0]=3 1098 B5R0.5 CC(C(=O)N)O TS71825 [0,1,0,0,0,0|2,0,0]=3 1099 B5R0.5 CC(C(=O)O)Br TS10263 [0,1,0,0,0,0|1,0,0]=2 1100 B5R0.5 CC(C(=O)O)Br TS41327 [0,1,0,0,0,0|1,0,0]=2 1101 B5R0.5 CC(C(=O)O)Cl TS04158 [0,1,0,0,0,0|1,0,0]=2 1102 B5R0.5 CC(C(=O)O)F TS02005 [0,1,0,0,0,0|1,0,0]=2 1103 B5R0.5 CC(C(=O)O)N TS71826 [0,1,0,0,0,0|0,0,0]=1 1104 B5R0.5 CC(C(=O)O)O TS03619 [0,1,0,0,0,0|1,0,0]=2 1105 B5R0.5 CC(C(=O)O)O TS69796 [0,1,0,0,0,0|1,0,0]=2 1106 B5R0.5 CC(C(=O)O)S TS04090 [0,1,0,0,0,0|1,0,0]=2 1107 B5R0.5 CC(C(=O)[O-])O TS04267 [0,1,0,0,0,0|1,0,1]=3 1108 B5R0.5 CC(C(=O)[O-])O TS21805 [0,1,0,0,0,0|1,0,1]=3 1109 B5R0.5 CC(C(=O)[O-])O TS25875 [0,1,0,0,0,0|1,0,1]=3 1110 B5R0.5 CC(C(=O)[O-])O TS49421 [0,1,0,0,0,0|1,0,1]=3 1111 B5R0.5 CC(C(=O)[O-])O TS53785 [0,1,0,0,0,0|1,0,1]=3 1112 B5R0.5 CC(C(=O)[O-])O TS60724 [0,1,0,0,0,0|1,0,1]=3 1113 B5R0.5 CC(C(=O)[O-])O TS67922 [0,1,0,0,0,0|1,0,1]=3 1114 B5R0.5 CC(C(=O)[O-])O TS82339 [0,1,0,0,0,0|1,0,1]=3 1115 B5R0.5 CC(C(=O)[O-])O TS93633 [0,1,0,0,0,0|1,0,1]=3 1116 B5R0.5 CC(C(=O)[O-])O TS94684 [0,1,0,0,0,0|1,0,1]=3 1117 B5R0.5 CC(C(=O)[O-])O TS94690 [0,1,0,0,0,0|1,0,1]=3 1118 B5R0.5 CC(C(C)O)O TS71844 [0,1,0,0,0,0|2,0,1]=4 1119 B5R0.5 CC(C(C)S)O TS04106 [0,1,0,0,0,0|2,0,1]=4 1120 B5R0.5 CC(C)C(=C)C TS71720 [0,1,0,0,0,0|3,0,0]=4 1121 B5R0.5 CC(C)C(=N)N TS03540 [0,1,0,0,0,0|3,0,0]=4 1122 B5R0.5 CC(C)C(=N)N TS32540 [0,1,0,0,0,0|3,0,0]=4 1123 B5R0.5 CC(C)C(=O)Br TS40967 [0,1,0,0,0,0|2,0,0]=3 1124 B5R0.5 CC(C)C(=O)C TS39716 [0,1,0,0,0,0|2,0,0]=3 1125 B5R0.5 CC(C)C(=O)Cl TS31739 [0,1,0,0,0,0|2,0,0]=3 1126 B5R0.5 CC(C)C(=O)F TS71829 [0,1,0,0,0,0|2,0,0]=3 1127 B5R0.5 CC(C)C(=O)N TS01506 [0,1,0,0,0,0|2,0,0]=3 1128 B5R0.5 CC(C)C(=O)O TS85221 [0,1,0,0,0,0|1,0,0]=2 1129 B5R0.5 CC(C)C(=O)[O-] TS03660 [0,1,0,0,0,0|1,0,1]=3 1130 B5R0.5 CC(C)C(=O)[O-] TS04185 [0,1,0,0,0,0|1,0,1]=3 1131 B5R0.5 CC(C)C(=O)[O-] TS36146 [0,1,0,0,0,0|1,0,1]=3 1132 B5R0.5 CC(C)C(=O)[O-] TS44540 [0,1,0,0,0,0|1,0,1]=3 1133 B5R0.5 CC(C)C(C)N TS71776 [0,1,0,0,0,0|2,0,1]=4 1134 B5R0.5 CC(C)C(C)O TS03594 [0,1,0,0,0,0|2,0,1]=4 1135 B5R0.5 CC(C)[N+](=O)[O-] TS00110 [0,1,0,0,0,0|2,0,1]=4 1136 B5R0.5 CN(C(=S)N)N TS31710 [0,1,0,0,0,0|2,1,0]=4 1137 B5R0.5 CN(C)C(=O)Cl TS04117 [0,1,0,0,0,0|3,0,0]=4 1138 B5R0.5 CN(C)C(=O)N TS03592 [0,1,0,0,0,0|3,0,0]=4 1139 B5R0.5 CN(C)C(=O)O TS05907 [0,1,0,0,0,0|2,0,0]=3 1140 B5R0.5 C[C@@H](C(=O)N)N TS01517 [0,1,0,0,0,0|1,0,0]=2 1141 B5R0.5 C[C@@H](C(=O)N)N TS03590 [0,1,0,0,0,0|1,0,0]=2 1142 B5R0.5 C[C@@H](C(=O)N)O TS59860 [0,1,0,0,0,0|2,0,0]=3 1143 B5R0.5 C[C@@H](C(=O)O)Br TS10265 [0,1,0,0,0,0|1,0,0]=2 1144 B5R0.5 C[C@@H](C(=O)O)Cl TS47157 [0,1,0,0,0,0|1,0,0]=2 1145 B5R0.5 C[C@@H](C(=O)O)N TS01516 [0,1,0,0,0,0|0,0,0]=1 1146 B5R0.5 C[C@@H](C(=O)O)N TS03624 [0,1,0,0,0,0|0,0,0]=1 1147 B5R0.5 C[C@@H](C(=O)O)O TS39672 [0,1,0,0,0,0|1,0,0]=2 1148 B5R0.5 C[C@@H](C(=O)[O-])O TS04266 [0,1,0,0,0,0|1,0,1]=3 1149 B5R0.5 C[C@@H](C(=O)[O-])O TS05332 [0,1,0,0,0,0|1,0,1]=3 1150 B5R0.5 C[C@@H](C(=O)[O-])O TS28972 [0,1,0,0,0,0|1,0,1]=3 1151 B5R0.5 C[C@@H](C(C)C)N TS71787 [0,1,0,0,0,0|2,0,1]=4 1152 B5R0.5 C[C@@H]([C@H](C)O)O TS85107 [0,1,0,0,0,0|2,0,1]=4 1153 B5R0.5 C[C@H](C(=O)Cl)Cl TS94778 [0,1,0,0,0,0|2,0,0]=3 1154 B5R0.5 C[C@H](C(=O)N)N TS46606 [0,1,0,0,0,0|1,0,0]=2 1155 B5R0.5 C[C@H](C(=O)N)N TS60179 [0,1,0,0,0,0|1,0,0]=2 1156 B5R0.5 C[C@H](C(=O)N)O TS71820 [0,1,0,0,0,0|2,0,0]=3 1157 B5R0.5 C[C@H](C(=O)O)Br TS10264 [0,1,0,0,0,0|1,0,0]=2 1158 B5R0.5 C[C@H](C(=O)O)O TS03621 [0,1,0,0,0,0|1,0,0]=2 1159 B5R0.5 C[C@H](C(=O)[O-])O TS03708 [0,1,0,0,0,0|1,0,1]=3 1160 B5R0.5 C[C@H](C(C)C)N TS71786 [0,1,0,0,0,0|2,0,1]=4 1161 B5R0.5 C[C@H]([C@@H](C)O)O TS85106 [0,1,0,0,0,0|2,0,1]=4 1162 B5R0.5 C[C@H]([C@H](C)O)O TS71842 [0,1,0,0,0,0|2,0,1]=4 1163 B5R1.2 C1C(=O)CN1 TS03373 [0,0,0,1,0,0|1,0,0]=2 1164 B5R1.2 C1C(=O)CN1 TS46446 [0,0,0,1,0,0|1,0,0]=2 1165 B5R1.2 C1C(=O)CO1 TS70694 [0,0,0,1,0,0|2,0,0]=3 1166 B5R1.2 C1C(=O)CS1 TS90454 [0,0,0,1,0,0|2,0,0]=3 1167 B5R1.2 C1C(CN1)N TS88575 [0,0,0,1,0,0|2,0,1]=4 1168 B5R1.2 C1C(CN1)N TS92985 [0,0,0,1,0,0|2,0,1]=4 1169 B5R1.2 C1C(CN1)O TS00225 [0,0,0,1,0,0|1,0,1]=3 1170 B5R1.2 C1C(CN1)O TS65705 [0,0,0,1,0,0|1,0,1]=3 1171 B5R1.2 C1C(CN1)S TS87598 [0,0,0,1,0,0|1,1,1]=4 1172 B5R1.2 C1C(CO1)O TS02791 [0,0,0,1,0,0|2,0,1]=4 1173 B5R1.2 C1CC(=O)C1 TS01399 [0,0,0,1,0,0|2,0,0]=3 1174 B5R1.2 C1CC(C1)O TS59758 [0,0,0,1,0,0|2,0,1]=4 1175 B5R1.2 C1CNC1=O TS55052 [0,0,0,1,0,0|2,0,0]=3 1176 B5R1.2 C1COC1=O TS71591 [0,0,0,1,0,0|1,0,0]=2 1177 B5R1.3 C1C(O1)CBr TS06154 [0,0,0,1,0,0|2,0,1]=4 1178 B5R1.3 C1C(O1)CCl TS08941 [0,0,0,1,0,0|2,0,1]=4 1179 B5R1.3 C1C(O1)CCl TS94501 [0,0,0,1,0,0|2,0,1]=4 1180 B5R1.3 C1C(O1)CCl TS94502 [0,0,0,1,0,0|2,0,1]=4 1181 B5R1.3 C1C(O1)CF TS71640 [0,0,0,1,0,0|2,0,1]=4 1182 B5R1.3 C1C(O1)CO TS03389 [0,0,0,1,0,0|2,0,1]=4 1183 B5R1.3 C1CC1CN TS03376 [0,0,0,1,0,0|2,0,1]=4 1184 B5R1.3 C1CC1CN TS04123 [0,0,0,1,0,0|2,0,1]=4 1185 B5R1.3 C1[C@@H](O1)CCl TS00305 [0,0,0,1,0,0|2,0,1]=4 1186 B5R1.3 C1[C@@H](O1)CO TS00321 [0,0,0,1,0,0|2,0,1]=4 1187 B5R1.3 C1[C@H](O1)CCl TS46636 [0,0,0,1,0,0|2,0,1]=4 1188 B5R1.3 C1[C@H](O1)CO TS01969 [0,0,0,1,0,0|2,0,1]=4 1189 B5R1.3 CCC1CO1 TS71603 [0,0,0,1,0,0|2,0,1]=4 1190 B5R1.3 CC[C@@H]1CO1 TS71607 [0,0,0,1,0,0|2,0,1]=4 1191 B5R1.3 CC[C@H]1CO1 TS71606 [0,0,0,1,0,0|2,0,1]=4 1192 B5R1.4 CC1C(O1)C TS71602 [0,0,0,1,0,0|2,0,1]=4 1193 B5R1.4 C[C@@H]1[C@@H](O1)C TS71599 [0,0,0,1,0,0|2,0,1]=4 1194 B5R1.4 C[C@H]1[C@@H](O1)C TS71605 [0,0,0,1,0,0|2,0,1]=4 1195 B5R1.5 CC1(CN1)C TS71587 [0,0,0,1,0,0|2,0,1]=4 1196 B2R0.1 B(=O)[O-] TS36092 [2,0,0,0,0,0|1,0,1]=4 1197 B2R0.1 C(#N)N TS39838 [2,0,0,0,0,0|1,0,1]=4 1198 B2R0.1 C(#N)N TS71667 [2,0,0,0,0,0|1,0,1]=4 1199 B2R0.1 C(=N)N TS71676 [2,0,0,0,0,0|1,0,0]=3 1200 B2R0.1 C(=O)=O TS02398 [2,0,0,0,0,0|0,0,2]=4 1201 B2R0.1 C(=O)=S TS65585 [2,0,0,0,0,0|0,1,1]=4 1202 B2R0.1 C(=O)N TS02400 [2,0,0,0,0,0|0,0,0]=2 1203 B2R0.1 C(=O)O TS39869 [2,0,0,0,0,0|0,0,0]=2 1204 B2R0.1 C(=O)[O-] TS03484 [2,0,0,0,0,0|0,0,1]=3 1205 B2R0.1 C(=O)[O-] TS06636 [2,0,0,0,0,0|0,0,1]=3 1206 B2R0.1 C(=O)[O-] TS11483 [2,0,0,0,0,0|0,0,1]=3 1207 B2R0.1 C(=O)[O-] TS14123 [2,0,0,0,0,0|0,0,1]=3 1208 B2R0.1 C(=O)[O-] TS17364 [2,0,0,0,0,0|0,0,1]=3 1209 B2R0.1 C(=O)[O-] TS27938 [2,0,0,0,0,0|0,0,1]=3 1210 B2R0.1 C(=O)[O-] TS36462 [2,0,0,0,0,0|0,0,1]=3 1211 B2R0.1 C(=O)[O-] TS36467 [2,0,0,0,0,0|0,0,1]=3 1212 B2R0.1 C(=O)[O-] TS40943 [2,0,0,0,0,0|0,0,1]=3 1213 B2R0.1 C(=O)[O-] TS65786 [2,0,0,0,0,0|0,0,1]=3 1214 B2R0.1 C(=O)[O-] TS66360 [2,0,0,0,0,0|0,0,1]=3 1215 B2R0.1 C(=O)[O-] TS70847 [2,0,0,0,0,0|0,0,1]=3 1216 B2R0.1 C(=O)[O-] TS93976 [2,0,0,0,0,0|0,0,1]=3 1217 B2R0.1 C(Br)Br TS55845 [2,0,0,0,0,0|2,0,0]=4 1218 B2R0.1 C(Cl)Br TS16530 [2,0,0,0,0,0|2,0,0]=4 1219 B2R0.1 C(Cl)Cl TS71726 [2,0,0,0,0,0|2,0,0]=4 1220 B2R0.1 C(Cl)I TS13925 [2,0,0,0,0,0|2,0,0]=4 1221 B2R0.1 C(F)Br TS16532 [2,0,0,0,0,0|2,0,0]=4 1222 B2R0.1 C(F)Cl TS09624 [2,0,0,0,0,0|2,0,0]=4 1223 B2R0.1 C(F)F TS65564 [2,0,0,0,0,0|2,0,0]=4 1224 B2R0.1 C(I)I TS73691 [2,0,0,0,0,0|2,0,0]=4 1225 B2R0.1 C(N)N TS32370 [2,0,0,0,0,0|1,0,0]=3 1226 B2R0.1 C([SiH3])[SiH3] TS03411 [2,0,0,0,0,0|1,1,0]=4 1227 B2R0.1 C=C=O TS02390 [2,0,0,0,0,0|0,0,2]=4 1228 B2R0.1 C=CBr TS31748 [2,0,0,0,0,0|1,0,1]=4 1229 B2R0.1 C=CCl TS02531 [2,0,0,0,0,0|1,0,1]=4 1230 B2R0.1 C=CF TS65549 [2,0,0,0,0,0|1,0,1]=4 1231 B2R0.1 C=CI TS41326 [2,0,0,0,0,0|1,0,1]=4 1232 B2R0.1 C=NO TS02399 [2,0,0,0,0,0|1,0,1]=4 1233 B2R0.1 C=NO TS03451 [2,0,0,0,0,0|1,0,1]=4 1234 B2R0.1 C=[N+]=[N-] TS02391 [2,0,0,0,0,0|1,0,1]=4 1235 B2R0.1 CC#C TS02382 [2,0,0,0,0,0|1,0,1]=4 1236 B2R0.1 CC#N TS02387 [2,0,0,0,0,0|1,0,1]=4 1237 B2R0.1 CC#N TS60112 [2,0,0,0,0,0|1,0,1]=4 1238 B2R0.1 CC#N TS64602 [2,0,0,0,0,0|1,0,1]=4 1239 B2R0.1 CC=O TS02395 [2,0,0,0,0,0|0,0,0]=2 1240 B2R0.1 CC=O TS36438 [2,0,0,0,0,0|0,0,0]=2 1241 B2R0.1 CCBr TS04167 [2,0,0,0,0,0|1,0,1]=4 1242 B2R0.1 CCCl TS09480 [2,0,0,0,0,0|1,0,1]=4 1243 B2R0.1 CCF TS65558 [2,0,0,0,0,0|1,0,1]=4 1244 B2R0.1 CCI TS41565 [2,0,0,0,0,0|1,0,1]=4 1245 B2R0.1 CCN TS02401 [2,0,0,0,0,0|0,0,1]=3 1246 B2R0.1 CCN TS03452 [2,0,0,0,0,0|0,0,1]=3 1247 B2R0.1 CCN TS36096 [2,0,0,0,0,0|0,0,1]=3 1248 B2R0.1 CCO TS21133 [2,0,0,0,0,0|0,0,1]=3 1249 B2R0.1 CCO TS65550 [2,0,0,0,0,0|0,0,1]=3 1250 B2R0.1 CCS TS65693 [2,0,0,0,0,0|0,1,1]=4 1251 B2R0.1 CC[Al+2] TS36197 [2,0,0,0,0,0|1,0,1]=4 1252 B2R0.1 CC[O-] TS00270 [2,0,0,0,0,0|0,0,2]=4 1253 B2R0.1 CC[O-] TS05576 [2,0,0,0,0,0|0,0,2]=4 1254 B2R0.1 CC[O-] TS27940 [2,0,0,0,0,0|0,0,2]=4 1255 B2R0.1 CC[O-] TS32126 [2,0,0,0,0,0|0,0,2]=4 1256 B2R0.1 CC[O-] TS38732 [2,0,0,0,0,0|0,0,2]=4 1257 B2R0.1 CC[O-] TS41552 [2,0,0,0,0,0|0,0,2]=4 1258 B2R0.1 CC[O-] TS43571 [2,0,0,0,0,0|0,0,2]=4 1259 B2R0.1 CC[O-] TS43730 [2,0,0,0,0,0|0,0,2]=4 1260 B2R0.1 CC[O-] TS52593 [2,0,0,0,0,0|0,0,2]=4 1261 B2R0.1 CC[O-] TS60686 [2,0,0,0,0,0|0,0,2]=4 1262 B2R0.1 CC[O-] TS66325 [2,0,0,0,0,0|0,0,2]=4 1263 B2R0.1 CC[O-] TS67943 [2,0,0,0,0,0|0,0,2]=4 1264 B2R0.1 CC[O-] TS69560 [2,0,0,0,0,0|0,0,2]=4 1265 B2R0.1 CC[O-] TS71710 [2,0,0,0,0,0|0,0,2]=4 1266 B2R0.1 CC[O-] TS71935 [2,0,0,0,0,0|0,0,2]=4 1267 B2R0.1 CC[O-] TS74164 [2,0,0,0,0,0|0,0,2]=4 1268 B2R0.1 CC[O-] TS75274 [2,0,0,0,0,0|0,0,2]=4 1269 B2R0.1 CC[SiH3] TS65592 [2,0,0,0,0,0|1,0,1]=4 1270 B2R0.1 CNC TS03517 [2,0,0,0,0,0|2,0,0]=4 1271 B2R0.1 CNC TS32687 [2,0,0,0,0,0|2,0,0]=4 1272 B2R0.1 CNC TS39850 [2,0,0,0,0,0|2,0,0]=4 1273 B2R0.1 CNC TS39851 [2,0,0,0,0,0|2,0,0]=4 1274 B2R0.1 CNN TS34585 [2,0,0,0,0,0|1,0,1]=4 1275 B2R0.1 CNO TS71706 [2,0,0,0,0,0|1,0,0]=3 1276 B2R0.1 CON TS01812 [2,0,0,0,0,0|1,0,1]=4 1277 B2R0.1 CSC TS34589 [2,0,0,0,0,0|2,0,0]=4 1278 B2R0.1 CSC TS39372 [2,0,0,0,0,0|2,0,0]=4 1279 B2R0.1 C[Al+]C TS71866 [2,0,0,0,0,0|2,0,0]=4 1280 B2R0.1 C[Cd]C TS37675 [2,0,0,0,0,0|2,0,0]=4 1281 B2R0.1 C[Hg]Br TS35825 [2,0,0,0,0,0|2,0,0]=4 1282 B2R0.1 C[Hg]C TS53101 [2,0,0,0,0,0|2,0,0]=4 1283 B2R0.1 C[Hg]Cl TS28143 [2,0,0,0,0,0|2,0,0]=4 1284 B2R0.1 C[Hg]I TS78611 [2,0,0,0,0,0|2,0,0]=4 1285 B2R0.1 C[Mg]I TS94239 [2,0,0,0,0,0|2,0,0]=4 1286 B2R0.1 C[N+]#[C-] TS02386 [2,0,0,0,0,0|2,0,0]=4 1287 B2R0.1 C[N-]C TS61417 [2,0,0,0,0,0|2,0,0]=4 1288 B2R0.1 C[N-]C TS65562 [2,0,0,0,0,0|2,0,0]=4 1289 B2R0.1 C[Se]C TS31788 [2,0,0,0,0,0|2,0,0]=4 1290 B2R0.1 C[SiH2]C TS65591 [2,0,0,0,0,0|1,1,0]=4 1291 B2R0.1 C[Zn]C TS03703 [2,0,0,0,0,0|2,0,0]=4 1292 B2R0.1 N(=O)O TS65553 [2,0,0,0,0,0|1,0,0]=3 1293 B2R0.1 N(=O)[O-] TS05701 [2,0,0,0,0,0|1,0,1]=4 1294 B2R0.1 N(=O)[O-] TS09673 [2,0,0,0,0,0|1,0,1]=4 1295 B2R0.1 N(=O)[O-] TS53385 [2,0,0,0,0,0|1,0,1]=4 1296 B2R0.1 N(=O)[O-] TS71732 [2,0,0,0,0,0|1,0,1]=4 1297 B2R0.1 N[Hg]Cl TS28279 [2,0,0,0,0,0|2,0,0]=4 1298 B2R0.1 O=S=O TS65849 [2,0,0,0,0,0|1,0,1]=4 1299 B2R0.1 O=[Al-]=O TS03453 [2,0,0,0,0,0|1,0,1]=4 1300 B2R0.1 O=[Bi]Cl TS68419 [2,0,0,0,0,0|2,0,0]=4 1301 B2R0.1 O=[ClH]=O TS02924 [2,0,0,0,0,0|1,0,1]=4 1302 B2R0.1 O=[Er]F TS38310 [2,0,0,0,0,0|2,0,0]=4 1303 B2R0.1 O=[Mo]=O TS05297 [2,0,0,0,0,0|1,0,1]=4 1304 B2R0.1 O=[Os]=O TS23426 [2,0,0,0,0,0|1,0,1]=4 1305 B2R0.1 O=[Pb]=O TS26330 [2,0,0,0,0,0|1,0,1]=4 1306 B2R0.1 O=[Pt]=O TS00247 [2,0,0,0,0,0|1,0,1]=4 1307 B2R0.1 O=[Re]=O TS22387 [2,0,0,0,0,0|1,0,1]=4 1308 B2R0.1 O=[Se]=O TS31869 [2,0,0,0,0,0|1,0,1]=4 1309 B2R0.1 O=[Si]=O TS65586 [2,0,0,0,0,0|0,1,1]=4 1310 B2R0.1 O=[Si]=O TS78645 [2,0,0,0,0,0|0,1,1]=4 1311 B2R0.1 O=[Sn]=O TS09981 [2,0,0,0,0,0|1,0,1]=4 1312 B2R0.1 O=[Tb]F TS51730 [2,0,0,0,0,0|2,0,0]=4 1313 B2R0.1 O=[Te]=O TS11189 [2,0,0,0,0,0|1,0,1]=4 1314 B2R0.1 O=[W]=O TS21957 [2,0,0,0,0,0|1,0,1]=4 1315 B2R0.1 O=[Yb]F TS43381 [2,0,0,0,0,0|2,0,0]=4 1316 B2R0.1 O[Al]=O TS02431 [2,0,0,0,0,0|1,0,0]=3 1317 B2R0.1 O[Cu]O TS31414 [2,0,0,0,0,0|1,0,1]=4 1318 B2R0.1 O[PH2]=O TS00245 [2,0,0,0,0,0|1,0,0]=3 1319 B2R0.1 [Li]C=C TS65547 [2,0,0,0,0,0|1,0,1]=4 1320 B2R0.1 [O-]Cl=O TS00268 [2,0,0,0,0,0|1,0,1]=4 1321 B2R0.1 [O-]P=O TS27247 [2,0,0,0,0,0|1,0,1]=4 1322 B2R0.1 [O-][Al]=O TS02679 [2,0,0,0,0,0|1,0,1]=4 1323 B2R0.1 [O-][Al]=O TS06773 [2,0,0,0,0,0|1,0,1]=4 1324 B2R0.1 [O-][PH2]=O TS15407 [2,0,0,0,0,0|1,0,1]=4 1325 B2R0.1 [O-][PH2]=O TS31722 [2,0,0,0,0,0|1,0,1]=4 1326 B2R0.1 [O-][PH2]=O TS40923 [2,0,0,0,0,0|1,0,1]=4 1327 B2R0.1 [O-][PH2]=O TS43304 [2,0,0,0,0,0|1,0,1]=4 1328 B2R0.1 [O-][PH2]=O TS71694 [2,0,0,0,0,0|1,0,1]=4 1329 B2R0.1 [O-][PH2]=O TS79557 [2,0,0,0,0,0|1,0,1]=4 1330 B2R0.1 [O-][PH2]=O TS94100 [2,0,0,0,0,0|1,0,1]=4 1331 B4R0.2 C#CCCN TS31717 [1,1,0,0,0,0|1,0,1]=4 1332 B4R0.2 C#CCCO TS09504 [1,1,0,0,0,0|1,0,1]=4 1333 B4R0.2 C(C=CBr)Br TS37833 [1,1,0,0,0,0|2,0,0]=4 1334 B4R0.2 C(C=CCl)Cl TS04226 [1,1,0,0,0,0|2,0,0]=4 1335 B4R0.2 C(C=CCl)Cl TS04227 [1,1,0,0,0,0|2,0,0]=4 1336 B4R0.2 C(C=CCl)Cl TS92961 [1,1,0,0,0,0|2,0,0]=4 1337 B4R0.2 C(C=O)C=O TS71592 [1,1,0,0,0,0|1,0,0]=3 1338 B4R0.2 C(CCl)C=O TS71867 [1,1,0,0,0,0|1,0,0]=3 1339 B4R0.2 C(CN)C#N TS03335 [1,1,0,0,0,0|1,0,1]=4 1340 B4R0.2 C(CN)CBr TS09494 [1,1,0,0,0,0|1,0,1]=4 1341 B4R0.2 C(CN)CCl TS00183 [1,1,0,0,0,0|1,0,1]=4 1342 B4R0.2 C(CN)CF TS04405 [1,1,0,0,0,0|1,0,1]=4 1343 B4R0.2 C(CN)CN TS07879 [1,1,0,0,0,0|1,0,1]=4 1344 B4R0.2 C(CN)CN TS34480 [1,1,0,0,0,0|1,0,1]=4 1345 B4R0.2 C(CN)CN TS40489 [1,1,0,0,0,0|1,0,1]=4 1346 B4R0.2 C(CN)CO TS04258 [1,1,0,0,0,0|0,0,1]=3 1347 B4R0.2 C(CN)CO TS08858 [1,1,0,0,0,0|0,0,1]=3 1348 B4R0.2 C(CO)C#N TS02797 [1,1,0,0,0,0|0,0,2]=4 1349 B4R0.2 C(CO)CBr TS59604 [1,1,0,0,0,0|1,0,1]=4 1350 B4R0.2 C(CO)CCl TS02021 [1,1,0,0,0,0|1,0,1]=4 1351 B4R0.2 C(CO)CF TS00151 [1,1,0,0,0,0|1,0,1]=4 1352 B4R0.2 C(CO)CI TS70633 [1,1,0,0,0,0|1,0,1]=4 1353 B4R0.2 C(CO)CO TS00379 [1,1,0,0,0,0|1,0,1]=4 1354 B4R0.2 C(CO)NN TS55378 [1,1,0,0,0,0|0,0,1]=3 1355 B4R0.2 C=CCC#C TS66005 [1,1,0,0,0,0|2,0,0]=4 1356 B4R0.2 C=CCC#N TS70615 [1,1,0,0,0,0|1,0,1]=4 1357 B4R0.2 C=CCC=C TS70907 [1,1,0,0,0,0|2,0,0]=4 1358 B4R0.2 C=CCCBr TS03033 [1,1,0,0,0,0|2,0,0]=4 1359 B4R0.2 C=CCCCl TS03638 [1,1,0,0,0,0|2,0,0]=4 1360 B4R0.2 C=CCCN TS01596 [1,1,0,0,0,0|1,0,0]=3 1361 B4R0.2 C=CCCN TS04120 [1,1,0,0,0,0|1,0,0]=3 1362 B4R0.2 C=CCCO TS71598 [1,1,0,0,0,0|1,0,1]=4 1363 B4R0.2 C=CCNN TS55729 [1,1,0,0,0,0|1,0,0]=3 1364 B4R0.2 C=CCON TS31812 [1,1,0,0,0,0|1,0,0]=3 1365 B4R0.2 C=CC[Mg]Br TS07129 [1,1,0,0,0,0|2,0,0]=4 1366 B4R0.2 C=CC[Pd]Cl TS79784 [1,1,0,0,0,0|2,0,0]=4 1367 B4R0.2 C=CNC=O TS03372 [1,1,0,0,0,0|1,0,1]=4 1368 B4R0.2 C=COC=O TS71590 [1,1,0,0,0,0|1,0,1]=4 1369 B4R0.2 CC=CC=O TS16977 [1,1,0,0,0,0|1,0,1]=4 1370 B4R0.2 CC=CCCl TS03634 [1,1,0,0,0,0|2,0,0]=4 1371 B4R0.2 CC=CCN TS01395 [1,1,0,0,0,0|1,0,0]=3 1372 B4R0.2 CC=CCO TS71604 [1,1,0,0,0,0|1,0,1]=4 1373 B4R0.2 CC=COC TS71611 [1,1,0,0,0,0|1,0,1]=4 1374 B4R0.2 CCC=C=C TS70908 [1,1,0,0,0,0|2,0,0]=4 1375 B4R0.2 CCC=CBr TS33033 [1,1,0,0,0,0|2,0,0]=4 1376 B4R0.2 CCC=CC TS03361 [1,1,0,0,0,0|2,0,0]=4 1377 B4R0.2 CCC=CCl TS03636 [1,1,0,0,0,0|2,0,0]=4 1378 B4R0.2 CCC=CCl TS03637 [1,1,0,0,0,0|2,0,0]=4 1379 B4R0.2 CCC=NS TS31707 [1,1,0,0,0,0|1,1,0]=4 1380 B4R0.2 CCCC=O TS71609 [1,1,0,0,0,0|1,0,0]=3 1381 B4R0.2 CCCCN TS03383 [1,1,0,0,0,0|1,0,1]=4 1382 B4R0.2 CCCCN TS04172 [1,1,0,0,0,0|1,0,1]=4 1383 B4R0.2 CCCCO TS03407 [1,1,0,0,0,0|1,0,1]=4 1384 B4R0.2 CCCNC TS03381 [1,1,0,0,0,0|1,0,1]=4 1385 B4R0.2 CCCOC TS03404 [1,1,0,0,0,0|1,0,1]=4 1386 B4R0.2 CCCO[NH3+] TS04256 [1,1,0,0,0,0|1,0,1]=4 1387 B4R0.2 CCN=C=O TS01458 [1,1,0,0,0,0|1,0,1]=4 1388 B4R0.2 CCNC=O TS03379 [1,1,0,0,0,0|1,0,0]=3 1389 B4R0.2 CCOC=C TS71601 [1,1,0,0,0,0|2,0,0]=4 1390 B4R0.2 CCOC=O TS03393 [1,1,0,0,0,0|1,0,0]=3 1391 B4R0.2 CCON=O TS71627 [1,1,0,0,0,0|2,0,0]=4 1392 B4R0.2 CCSC=C TS71813 [1,1,0,0,0,0|2,0,0]=4 1393 B4R0.2 CNCC#N TS03334 [1,1,0,0,0,0|1,0,1]=4 1394 B4R0.2 CNCC#N TS12514 [1,1,0,0,0,0|1,0,1]=4 1395 B4R0.2 CNCC#N TS56312 [1,1,0,0,0,0|1,0,1]=4 1396 B4R0.2 CNCCN TS03408 [1,1,0,0,0,0|1,0,1]=4 1397 B4R0.2 CNCCO TS00099 [1,1,0,0,0,0|0,0,1]=3 1398 B4R0.2 COCC=C TS94286 [1,1,0,0,0,0|2,0,0]=4 1399 B4R0.2 COCC=O TS03388 [1,1,0,0,0,0|1,0,0]=3 1400 B4R0.2 COCCBr TS65036 [1,1,0,0,0,0|1,0,1]=4 1401 B4R0.2 COCCBr TS93982 [1,1,0,0,0,0|1,0,1]=4 1402 B4R0.2 COCCCl TS03687 [1,1,0,0,0,0|1,0,1]=4 1403 B4R0.2 COCCN TS71632 [1,1,0,0,0,0|0,0,1]=3 1404 B4R0.2 COCCO TS71642 [1,1,0,0,0,0|1,0,1]=4 1405 B4R0.2 COCC[O-] TS03754 [1,1,0,0,0,0|1,0,1]=4 1406 B4R0.2 COCC[O-] TS44727 [1,1,0,0,0,0|1,0,1]=4 1407 B4R0.2 COCC[O-] TS45853 [1,1,0,0,0,0|1,0,1]=4 1408 B4R0.2 CSCC=C TS71811 [1,1,0,0,0,0|2,0,0]=4 1409 B4R0.2 CSCCN TS03646 [1,1,0,0,0,0|0,1,1]=4 1410 B4R0.2 CSCCO TS71862 [1,1,0,0,0,0|1,0,1]=4 1411 B4R0.2 [2H]OCCC TS65595 [1,1,0,0,0,0|1,0,1]=4 1412 B4R0.3 CC(C)(C)O TS00104 [1,1,0,0,0,0|1,0,1]=4 1413 B4R0.3 CP(=O)(C)C TS03651 [1,1,0,0,0,0|2,0,0]=4 1414 B4R0.3 CP(=O)(C)Cl TS31987 [1,1,0,0,0,0|2,0,0]=4 1415 B4R0.3 CP(=O)(Cl)Cl TS05796 [1,1,0,0,0,0|2,0,0]=4 1416 B4R0.3 CS(=O)(=O)C TS03673 [1,1,0,0,0,0|1,0,1]=4 1417 B4R0.3 CS(=O)(=O)Cl TS39891 [1,1,0,0,0,0|1,0,1]=4 1418 B4R0.3 CS(=O)(=O)F TS03755 [1,1,0,0,0,0|1,0,1]=4 1419 B4R0.3 CS(=O)(=O)N TS03695 [1,1,0,0,0,0|1,0,1]=4 1420 B4R0.3 CS(=O)(=O)O TS39890 [1,1,0,0,0,0|1,0,0]=3 1421 B4R0.3 CS(=O)(=O)[O-] TS04699 [1,1,0,0,0,0|1,0,1]=4 1422 B4R0.3 CS(=O)(=O)[O-] TS05916 [1,1,0,0,0,0|1,0,1]=4 1423 B4R0.3 CS(=O)(=O)[O-] TS38362 [1,1,0,0,0,0|1,0,1]=4 1424 B4R0.3 CS(=O)(=O)[O-] TS44594 [1,1,0,0,0,0|1,0,1]=4 1425 B4R0.3 CS(=O)(=O)[O-] TS53027 [1,1,0,0,0,0|1,0,1]=4 1426 B4R0.3 CS(=O)(=O)[O-] TS60760 [1,1,0,0,0,0|1,0,1]=4 1427 B4R0.3 CS(=O)(=O)[O-] TS63314 [1,1,0,0,0,0|1,0,1]=4 1428 B4R0.3 CS(=O)(=O)[O-] TS72593 [1,1,0,0,0,0|1,0,1]=4 1429 B4R0.3 CS(=O)(=O)[O-] TS80945 [1,1,0,0,0,0|1,0,1]=4 1430 B4R0.3 C[As](=O)(C)C TS06032 [1,1,0,0,0,0|2,0,0]=4 1431 B4R0.3 C[As](=O)(C)[O-] TS13770 [1,1,0,0,0,0|1,0,1]=4 1432 B4R0.3 C[As](=O)(C)[O-] TS44435 [1,1,0,0,0,0|1,0,1]=4 1433 B4R0.3 C[As](=O)([O-])[O-] TS42374 [1,1,0,0,0,0|1,0,1]=4 1434 B4R0.3 C[Re](=O)(=O)=O TS62705 [1,1,0,0,0,0|1,0,1]=4 1435 B4R0.3 C[S+](=O)(C)C TS22689 [1,1,0,0,0,0|2,0,0]=4 1436 B4R0.3 C[S+](=O)(C)C TS59469 [1,1,0,0,0,0|2,0,0]=4 1437 B4R0.3 NS(=O)(=O)N TS01694 [1,1,0,0,0,0|1,0,1]=4 1438 B4R0.3 NS(=O)(=O)O TS03747 [1,1,0,0,0,0|1,0,0]=3 1439 B4R0.3 NS(=O)(=O)O TS10667 [1,1,0,0,0,0|1,0,0]=3 1440 B4R0.3 NS(=O)(=O)[O-] TS05993 [1,1,0,0,0,0|1,0,1]=4 1441 B4R0.3 NS(=O)(=O)[O-] TS32057 [1,1,0,0,0,0|1,0,1]=4 1442 B4R0.3 NS(=O)(=O)[O-] TS32373 [1,1,0,0,0,0|1,0,1]=4 1443 B4R0.3 NS(=O)(=O)[O-] TS68049 [1,1,0,0,0,0|1,0,1]=4 1444 B4R0.3 NS(=O)(=O)[O-] TS81179 [1,1,0,0,0,0|1,0,1]=4 1445 B4R0.3 NS(=O)(=O)[O-] TS93280 [1,1,0,0,0,0|1,0,1]=4 1446 B4R0.3 OCl(=O)(=O)=O TS03891 [1,1,0,0,0,0|2,0,0]=4 1447 B4R0.3 OI(=O)(=O)=O TS52570 [1,1,0,0,0,0|2,0,0]=4 1448 B4R0.3 OP(=O)(F)F TS31571 [1,1,0,0,0,0|2,0,0]=4 1449 B4R0.3 OP(=O)(O)F TS31481 [1,1,0,0,0,0|2,0,0]=4 1450 B4R0.3 OP(=O)(O)O TS21991 [1,1,0,0,0,0|2,0,0]=4 1451 B4R0.3 OP(=O)(O)O TS31416 [1,1,0,0,0,0|2,0,0]=4 1452 B4R0.3 OP(=O)(O)O TS41839 [1,1,0,0,0,0|2,0,0]=4 1453 B4R0.3 OP(=O)(O)[O-] TS06036 [1,1,0,0,0,0|2,0,0]=4 1454 B4R0.3 OP(=O)(O)[O-] TS10817 [1,1,0,0,0,0|2,0,0]=4 1455 B4R0.3 OP(=O)(O)[O-] TS28273 [1,1,0,0,0,0|2,0,0]=4 1456 B4R0.3 OP(=O)(O)[O-] TS31652 [1,1,0,0,0,0|2,0,0]=4 1457 B4R0.3 OP(=O)(O)[O-] TS32141 [1,1,0,0,0,0|2,0,0]=4 1458 B4R0.3 OP(=O)(O)[O-] TS32400 [1,1,0,0,0,0|2,0,0]=4 1459 B4R0.3 OP(=O)(O)[O-] TS41567 [1,1,0,0,0,0|2,0,0]=4 1460 B4R0.3 OP(=O)(O)[O-] TS53554 [1,1,0,0,0,0|2,0,0]=4 1461 B4R0.3 OP(=O)(O)[O-] TS68298 [1,1,0,0,0,0|2,0,0]=4 1462 B4R0.3 OP(=O)(O)[O-] TS79964 [1,1,0,0,0,0|2,0,0]=4 1463 B4R0.3 OP(=O)(O)[O-] TS92959 [1,1,0,0,0,0|2,0,0]=4 1464 B4R0.3 OP(=O)(O)[O-] TS94734 [1,1,0,0,0,0|2,0,0]=4 1465 B4R0.3 OP(=O)(O)[O-] TS94738 [1,1,0,0,0,0|2,0,0]=4 1466 B4R0.3 OP(=O)([O-])[O-] TS06033 [1,1,0,0,0,0|2,0,0]=4 1467 B4R0.3 OP(=O)([O-])[O-] TS06157 [1,1,0,0,0,0|2,0,0]=4 1468 B4R0.3 OP(=O)([O-])[O-] TS06628 [1,1,0,0,0,0|2,0,0]=4 1469 B4R0.3 OP(=O)([O-])[O-] TS13108 [1,1,0,0,0,0|2,0,0]=4 1470 B4R0.3 OP(=O)([O-])[O-] TS13460 [1,1,0,0,0,0|2,0,0]=4 1471 B4R0.3 OP(=O)([O-])[O-] TS48475 [1,1,0,0,0,0|2,0,0]=4 1472 B4R0.3 OP(=O)([O-])[O-] TS52625 [1,1,0,0,0,0|2,0,0]=4 1473 B4R0.3 OP(=O)([O-])[O-] TS54601 [1,1,0,0,0,0|2,0,0]=4 1474 B4R0.3 OP(=O)([O-])[O-] TS92958 [1,1,0,0,0,0|2,0,0]=4 1475 B4R0.3 OS(=O)(=O)Cl TS04649 [1,1,0,0,0,0|2,0,0]=4 1476 B4R0.3 OS(=O)(=O)F TS31487 [1,1,0,0,0,0|2,0,0]=4 1477 B4R0.3 OS(=O)(=O)O TS10398 [1,1,0,0,0,0|2,0,0]=4 1478 B4R0.3 OS(=O)(=O)O TS11257 [1,1,0,0,0,0|2,0,0]=4 1479 B4R0.3 OS(=O)(=O)O TS11362 [1,1,0,0,0,0|2,0,0]=4 1480 B4R0.3 OS(=O)(=O)O TS11811 [1,1,0,0,0,0|2,0,0]=4 1481 B4R0.3 OS(=O)(=O)O TS22357 [1,1,0,0,0,0|2,0,0]=4 1482 B4R0.3 OS(=O)(=O)O TS33761 [1,1,0,0,0,0|2,0,0]=4 1483 B4R0.3 OS(=O)(=O)O TS36465 [1,1,0,0,0,0|2,0,0]=4 1484 B4R0.3 OS(=O)(=O)O TS40160 [1,1,0,0,0,0|2,0,0]=4 1485 B4R0.3 OS(=O)(=O)O TS43786 [1,1,0,0,0,0|2,0,0]=4 1486 B4R0.3 OS(=O)(=O)O TS49079 [1,1,0,0,0,0|2,0,0]=4 1487 B4R0.3 OS(=O)(=O)O TS94083 [1,1,0,0,0,0|2,0,0]=4 1488 B4R0.3 OS(=O)(=O)[O-] TS06213 [1,1,0,0,0,0|2,0,0]=4 1489 B4R0.3 OS(=O)(=O)[O-] TS61505 [1,1,0,0,0,0|2,0,0]=4 1490 B4R0.3 OS(=O)(=O)[O-] TS73458 [1,1,0,0,0,0|2,0,0]=4 1491 B4R0.3 OS(=O)(=O)[O-] TS76383 [1,1,0,0,0,0|2,0,0]=4 1492 B4R0.3 OS(=O)(=O)[O-] TS94081 [1,1,0,0,0,0|2,0,0]=4 1493 B4R0.3 O[As](=O)(O)[O-] TS33543 [1,1,0,0,0,0|2,0,0]=4 1494 B4R0.3 O[As](=O)([O-])[O-] TS28578 [1,1,0,0,0,0|2,0,0]=4 1495 B4R0.3 O[Cr](=O)(=O)O TS32313 [1,1,0,0,0,0|2,0,0]=4 1496 B4R0.3 O[Mo](=O)(=O)O TS84984 [1,1,0,0,0,0|2,0,0]=4 1497 B4R0.3 O[Re](=O)(=O)=O TS62963 [1,1,0,0,0,0|2,0,0]=4 1498 B4R0.3 O[Se](=O)(=O)O TS07062 [1,1,0,0,0,0|2,0,0]=4 1499 B4R0.3 O[Te](=O)(=O)O TS24778 [1,1,0,0,0,0|2,0,0]=4 1500 B4R0.3 O[W](=O)(=O)O TS27974 [1,1,0,0,0,0|2,0,0]=4 1501 B4R0.3 [16OH]P(=[16O])([16OH])[16O-] TS94074 [1,1,0,0,0,0|2,0,0]=4 1502 B6R0.1 C(C#N)C(=O)NN TS01397 [0,2,0,0,0,0|1,0,1]=4 1503 B6R0.1 C(C(=O)NCO)Cl TS64943 [0,2,0,0,0,0|1,0,0]=3 1504 B6R0.1 C(C(=O)OCO)N TS05233 [0,2,0,0,0,0|0,0,0]=2 1505 B6R0.1 C(CN)C(=O)CN TS13627 [0,2,0,0,0,0|1,0,0]=3 1506 B6R0.1 C(CO)C(=O)CN TS37313 [0,2,0,0,0,0|0,0,0]=2 1507 B6R0.1 C=CC(=O)NCO TS31539 [0,2,0,0,0,0|1,0,1]=4 1508 B6R0.1 C=CC(=O)OC=C TS03768 [0,2,0,0,0,0|1,0,1]=4 1509 B6R0.1 C=COC(=O)CBr TS42840 [0,2,0,0,0,0|1,0,0]=3 1510 B6R0.1 C=COC(=O)CCl TS32444 [0,2,0,0,0,0|1,0,0]=3 1511 B6R0.1 C=COC(=O)CI TS44096 [0,2,0,0,0,0|1,0,0]=3 1512 B6R0.1 CC#CC(=O)OC TS03761 [0,2,0,0,0,0|1,0,1]=4 1513 B6R0.1 CC(=CCCl)C=O TS04765 [0,2,0,0,0,0|2,0,0]=4 1514 B6R0.1 CC=CC(=O)OC TS56315 [0,2,0,0,0,0|1,0,1]=4 1515 B6R0.1 CCC(=O)C=CC TS31436 [0,2,0,0,0,0|2,0,0]=4 1516 B6R0.1 CCC(=O)CC#N TS31393 [0,2,0,0,0,0|1,0,1]=4 1517 B6R0.1 CCC(=O)CSC TS32357 [0,2,0,0,0,0|1,1,0]=4 1518 B6R0.1 CCC(=O)NCC TS03904 [0,2,0,0,0,0|2,0,0]=4 1519 B6R0.1 CCC(=O)OC=C TS31498 [0,2,0,0,0,0|1,0,0]=3 1520 B6R0.1 CCC(=O)OCC TS03938 [0,2,0,0,0,0|1,0,0]=3 1521 B6R0.1 CCC(=O)SCC TS32362 [0,2,0,0,0,0|1,1,0]=4 1522 B6R0.1 CCC=C(C)C=O TS03779 [0,2,0,0,0,0|2,0,0]=4 1523 B6R0.1 CCCC(=C)C=O TS31425 [0,2,0,0,0,0|2,0,0]=4 1524 B6R0.1 CCCC(=O)CC TS31522 [0,2,0,0,0,0|2,0,0]=4 1525 B6R0.1 CCCC(=O)NN TS31598 [0,2,0,0,0,0|2,0,0]=4 1526 B6R0.1 CCCC(=O)OC TS03955 [0,2,0,0,0,0|1,0,0]=3 1527 B6R0.1 CCCC(=S)OC TS32358 [0,2,0,0,0,0|1,1,0]=4 1528 B6R0.1 CCNC(=O)C=C TS03826 [0,2,0,0,0,0|2,0,0]=4 1529 B6R0.1 CCNC(=O)CCl TS04876 [0,2,0,0,0,0|2,0,0]=4 1530 B6R0.1 CCNC(=O)OC TS31636 [0,2,0,0,0,0|1,0,0]=3 1531 B6R0.1 CCOC(=O)C#C TS03762 [0,2,0,0,0,0|1,0,1]=4 1532 B6R0.1 CCOC(=O)C#N TS31469 [0,2,0,0,0,0|0,0,2]=4 1533 B6R0.1 CCOC(=O)C=C TS33216 [0,2,0,0,0,0|1,0,1]=4 1534 B6R0.1 CCOC(=O)C=O TS56148 [0,2,0,0,0,0|1,0,1]=4 1535 B6R0.1 CCOC(=O)CBr TS56141 [0,2,0,0,0,0|1,0,0]=3 1536 B6R0.1 CCOC(=O)CCl TS39825 [0,2,0,0,0,0|1,0,0]=3 1537 B6R0.1 CCOC(=O)CF TS65215 [0,2,0,0,0,0|1,0,0]=3 1538 B6R0.1 CCOC(=O)CN TS31646 [0,2,0,0,0,0|0,0,0]=2 1539 B6R0.1 CCOC(=O)CN TS33221 [0,2,0,0,0,0|0,0,0]=2 1540 B6R0.1 CCOC(=O)CO TS56147 [0,2,0,0,0,0|1,0,0]=3 1541 B6R0.1 CCOC(=O)CS TS01466 [0,2,0,0,0,0|1,0,0]=3 1542 B6R0.1 CCOC(=O)NC TS31637 [0,2,0,0,0,0|2,0,0]=4 1543 B6R0.1 CCOC(=O)NN TS59780 [0,2,0,0,0,0|1,0,0]=3 1544 B6R0.1 CCOC(=O)NO TS04067 [0,2,0,0,0,0|1,0,0]=3 1545 B6R0.1 CCOC(=O)OC TS31662 [0,2,0,0,0,0|1,0,0]=3 1546 B6R0.1 CNC(=O)CC#N TS55304 [0,2,0,0,0,0|1,0,1]=4 1547 B6R0.1 CNCC(=O)OC TS01682 [0,2,0,0,0,0|0,0,0]=2 1548 B6R0.1 CNCC(CO)O TS04078 [0,2,0,0,0,0|0,0,2]=4 1549 B6R0.1 COC(=O)C=CN TS31544 [0,2,0,0,0,0|0,0,1]=3 1550 B6R0.1 COC(=O)CC#N TS31466 [0,2,0,0,0,0|0,0,1]=3 1551 B6R0.1 COC(=O)CC=C TS31502 [0,2,0,0,0,0|1,0,0]=3 1552 B6R0.1 COC(=O)CCBr TS56269 [0,2,0,0,0,0|1,0,0]=3 1553 B6R0.1 COC(=O)CCCl TS04939 [0,2,0,0,0,0|1,0,0]=3 1554 B6R0.1 COC(=O)CCN TS08577 [0,2,0,0,0,0|0,0,0]=2 1555 B6R0.1 COC(=O)CCO TS65233 [0,2,0,0,0,0|1,0,0]=3 1556 B6R0.1 COC(=O)CCS TS04824 [0,2,0,0,0,0|1,0,0]=3 1557 B6R0.1 COC(=O)CSC TS39398 [0,2,0,0,0,0|1,0,0]=3 1558 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [0,2,0,0,0,0|0,0,1]=3 1559 B6R0.1 COC(=O)N=C=O TS03897 [0,2,0,0,0,0|1,0,1]=4 1560 B6R0.1 COCC(=O)OC TS39892 [0,2,0,0,0,0|1,0,0]=3 1561 B6R0.2 C(=N)(N)NC(=O)N TS37857 [0,2,0,0,0,0|1,0,1]=4 1562 B6R0.2 C(=O)(N)NC(=O)N TS31632 [0,2,0,0,0,0|1,0,1]=4 1563 B6R0.2 C(C(=N)N)C(=O)N TS37135 [0,2,0,0,0,0|1,0,0]=3 1564 B6R0.2 C(C(=N)N)C(=O)O TS31589 [0,2,0,0,0,0|0,0,0]=2 1565 B6R0.2 C(C(=O)Cl)C(=O)Cl TS37463 [0,2,0,0,0,0|2,0,0]=4 1566 B6R0.2 C(C(=O)N)C(=O)N TS31588 [0,2,0,0,0,0|1,0,0]=3 1567 B6R0.2 C(C(=O)O)C(=O)O TS01463 [0,2,0,0,0,0|1,0,0]=3 1568 B6R0.2 C(C(=O)O)C(=O)O TS04061 [0,2,0,0,0,0|1,0,0]=3 1569 B6R0.2 C(C(=O)O)C(=O)O TS08896 [0,2,0,0,0,0|1,0,0]=3 1570 B6R0.2 C(C(=O)O)C(=O)O TS74524 [0,2,0,0,0,0|1,0,0]=3 1571 B6R0.2 C(C(=O)O)C(=O)[O-] TS37554 [0,2,0,0,0,0|1,0,0]=3 1572 B6R0.2 C(C(=O)[O-])C(=O)[O-] TS37547 [0,2,0,0,0,0|1,0,1]=4 1573 B6R0.2 C(C(F)F)C(=S)O TS37548 [0,2,0,0,0,0|1,1,0]=4 1574 B6R0.2 CC(=CC(=O)C)N TS03815 [0,2,0,0,0,0|1,0,1]=4 1575 B6R0.2 CC(=CC(=O)O)C TS03839 [0,2,0,0,0,0|1,0,1]=4 1576 B6R0.2 CC(=O)CC(=O)C TS03846 [0,2,0,0,0,0|2,0,0]=4 1577 B6R0.2 CC(=O)CC(=O)N TS31549 [0,2,0,0,0,0|1,0,0]=3 1578 B6R0.2 CC(=O)CC(=O)O TS31585 [0,2,0,0,0,0|1,0,0]=3 1579 B6R0.2 CC(=O)CC(=O)[O-] TS04127 [0,2,0,0,0,0|1,0,1]=4 1580 B6R0.2 CC(=O)CN(C)C TS31555 [0,2,0,0,0,0|1,0,0]=3 1581 B6R0.2 CC(=O)NC(=N)N TS77165 [0,2,0,0,0,0|1,0,1]=4 1582 B6R0.2 CC(=O)NC(=O)N TS03933 [0,2,0,0,0,0|1,0,1]=4 1583 B6R0.2 CC(=O)NC(=S)N TS04730 [0,2,0,0,0,0|1,0,1]=4 1584 B6R0.2 CC(C)CC(=O)C TS31526 [0,2,0,0,0,0|2,0,0]=4 1585 B6R0.2 CC(C)CC(=O)Cl TS32446 [0,2,0,0,0,0|2,0,0]=4 1586 B6R0.2 CC(C)CC(=O)N TS31557 [0,2,0,0,0,0|2,0,0]=4 1587 B6R0.2 CC(C)CC(=O)O TS03936 [0,2,0,0,0,0|1,0,0]=3 1588 B6R0.2 CC(C)CC(=O)[O-] TS32589 [0,2,0,0,0,0|1,0,1]=4 1589 B6R0.2 CC(C)NC(=O)N TS31602 [0,2,0,0,0,0|2,0,0]=4 1590 B6R0.2 CC(C)OC(=O)C TS01509 [0,2,0,0,0,0|2,0,0]=4 1591 B6R0.2 CC(C)OC(=O)Cl TS59649 [0,2,0,0,0,0|2,0,0]=4 1592 B6R0.2 CC(C)OC(=O)N TS03993 [0,2,0,0,0,0|2,0,0]=4 1593 B6R0.2 CC(CC(=O)O)Cl TS04943 [0,2,0,0,0,0|1,0,0]=3 1594 B6R0.2 CC(CC(=O)O)O TS31666 [0,2,0,0,0,0|1,0,0]=3 1595 B6R0.2 CC(CC(=O)[O-])O TS94900 [0,2,0,0,0,0|1,0,1]=4 1596 B6R0.2 CC(CN(C)C)O TS04008 [0,2,0,0,0,0|1,0,1]=4 1597 B6R0.2 CC(OC(=O)Cl)Cl TS46935 [0,2,0,0,0,0|2,0,0]=4 1598 B6R0.2 CN(C)CC(=O)O TS08905 [0,2,0,0,0,0|0,0,0]=2 1599 B6R0.2 CN(C)CC(=O)O TS37315 [0,2,0,0,0,0|0,0,0]=2 1600 B6R0.2 CN(C)CC(=O)[O-] TS36048 [0,2,0,0,0,0|0,0,1]=3 1601 B6R0.2 CN(C)CC(=O)[O-] TS37510 [0,2,0,0,0,0|0,0,1]=3 1602 B6R0.2 CN(C)CC(=S)N TS09051 [0,2,0,0,0,0|1,1,0]=4 1603 B6R0.2 C[C@@H](CC(=O)O)N TS33131 [0,2,0,0,0,0|0,0,0]=2 1604 B6R0.2 C[C@@H](CC(=O)O)N TS37311 [0,2,0,0,0,0|0,0,0]=2 1605 B6R0.2 C[C@@H](CC(=O)O)O TS31673 [0,2,0,0,0,0|1,0,0]=3 1606 B6R0.2 C[C@@H](CC(=O)[O-])O TS05129 [0,2,0,0,0,0|1,0,1]=4 1607 B6R0.2 C[C@@H](CN(C)C)O TS04004 [0,2,0,0,0,0|1,0,1]=4 1608 B6R0.2 C[C@H](CC(=O)O)N TS00214 [0,2,0,0,0,0|0,0,0]=2 1609 B6R0.2 C[C@H](CC(=O)[O-])O TS05130 [0,2,0,0,0,0|1,0,1]=4 1610 B6R0.3 C#CC(C(=O)O)O TS31488 [0,2,0,0,0,0|1,0,0]=3 1611 B6R0.3 C(#N)C(C(=O)N)N TS32775 [0,2,0,0,0,0|1,0,0]=3 1612 B6R0.3 C(=O)(C(=O)NN)N TS31631 [0,2,0,0,0,0|1,0,1]=4 1613 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [0,2,0,0,0,0|1,0,0]=3 1614 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [0,2,0,0,0,0|1,0,0]=3 1615 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [0,2,0,0,0,0|1,0,1]=4 1616 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [0,2,0,0,0,0|1,0,1]=4 1617 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [0,2,0,0,0,0|1,0,1]=4 1618 B6R0.3 C(C(=O)C(Br)Br)Br TS35743 [0,2,0,0,0,0|2,0,0]=4 1619 B6R0.3 C(C(=O)C(Cl)Cl)Cl TS11459 [0,2,0,0,0,0|2,0,0]=4 1620 B6R0.3 C(C(C(=O)Cl)Br)Br TS62878 [0,2,0,0,0,0|2,0,0]=4 1621 B6R0.3 C(C(C(=O)Cl)Cl)Cl TS11458 [0,2,0,0,0,0|2,0,0]=4 1622 B6R0.3 C(C(C(=O)N)Br)Br TS24999 [0,2,0,0,0,0|2,0,0]=4 1623 B6R0.3 C(C(C(=O)N)Cl)Cl TS06630 [0,2,0,0,0,0|2,0,0]=4 1624 B6R0.3 C(C(C(=O)O)Br)Br TS47141 [0,2,0,0,0,0|1,0,0]=3 1625 B6R0.3 C(C(C(=O)O)Cl)Cl TS06814 [0,2,0,0,0,0|1,0,0]=3 1626 B6R0.3 C(C(C(=O)O)N)Cl TS04985 [0,2,0,0,0,0|0,0,0]=2 1627 B6R0.3 C(C(C(=O)O)N)F TS31750 [0,2,0,0,0,0|0,0,0]=2 1628 B6R0.3 C(C(C(=O)O)N)N TS15412 [0,2,0,0,0,0|0,0,0]=2 1629 B6R0.3 C(C(C(=O)O)N)N TS55876 [0,2,0,0,0,0|0,0,0]=2 1630 B6R0.3 C(C(C(=O)O)N)O TS04070 [0,2,0,0,0,0|0,0,0]=2 1631 B6R0.3 C(C(C(=O)O)N)O TS93662 [0,2,0,0,0,0|0,0,0]=2 1632 B6R0.3 C(C(C(=O)O)O)Cl TS36024 [0,2,0,0,0,0|1,0,0]=3 1633 B6R0.3 C(C(C(=O)O)O)N TS55880 [0,2,0,0,0,0|0,0,0]=2 1634 B6R0.3 C(C(C(=O)O)O)O TS31726 [0,2,0,0,0,0|1,0,0]=3 1635 B6R0.3 C([C@@H](C(=O)N)N)O TS37447 [0,2,0,0,0,0|1,0,0]=3 1636 B6R0.3 C([C@@H](C(=O)O)Br)O TS12635 [0,2,0,0,0,0|1,0,0]=3 1637 B6R0.3 C([C@@H](C(=O)O)N)Cl TS04984 [0,2,0,0,0,0|0,0,0]=2 1638 B6R0.3 C([C@@H](C(=O)O)N)Cl TS42100 [0,2,0,0,0,0|0,0,0]=2 1639 B6R0.3 C([C@@H](C(=O)O)N)N TS01513 [0,2,0,0,0,0|0,0,0]=2 1640 B6R0.3 C([C@@H](C(=O)O)N)O TS04071 [0,2,0,0,0,0|0,0,0]=2 1641 B6R0.3 C([C@@H](C(=O)O)N)S TS85225 [0,2,0,0,0,0|0,0,0]=2 1642 B6R0.3 C([C@@H](C(=O)O)O)Cl TS05066 [0,2,0,0,0,0|1,0,0]=3 1643 B6R0.3 C([C@@H](C(=O)O)O)N TS04069 [0,2,0,0,0,0|0,0,0]=2 1644 B6R0.3 C([C@H](C(=O)O)N)Cl TS42101 [0,2,0,0,0,0|0,0,0]=2 1645 B6R0.3 C([C@H](C(=O)O)N)N TS01408 [0,2,0,0,0,0|0,0,0]=2 1646 B6R0.3 C([C@H](C(=O)O)N)N TS04022 [0,2,0,0,0,0|0,0,0]=2 1647 B6R0.3 C([C@H](C(=O)O)N)O TS07918 [0,2,0,0,0,0|0,0,0]=2 1648 B6R0.3 C([C@H](C(=O)O)N)S TS32459 [0,2,0,0,0,0|0,0,0]=2 1649 B6R0.3 C([C@H](C(=O)O)O)N TS04068 [0,2,0,0,0,0|0,0,0]=2 1650 B6R0.3 C=C(CBr)C(=O)O TS42841 [0,2,0,0,0,0|1,0,0]=3 1651 B6R0.3 C=CC(C(=O)O)N TS07917 [0,2,0,0,0,0|0,0,0]=2 1652 B6R0.3 C=C[C@@H](C(=O)O)N TS31547 [0,2,0,0,0,0|0,0,0]=2 1653 B6R0.3 C=C[C@H](C(=O)O)N TS31536 [0,2,0,0,0,0|0,0,0]=2 1654 B6R0.3 CC(=C)C(=O)OC TS31500 [0,2,0,0,0,0|1,0,1]=4 1655 B6R0.3 CC(=O)C(=O)OC TS31579 [0,2,0,0,0,0|1,0,1]=4 1656 B6R0.3 CC(C(=O)C)SC TS32356 [0,2,0,0,0,0|2,0,0]=4 1657 B6R0.3 CC(C(=O)NN)O TS04020 [0,2,0,0,0,0|1,0,0]=3 1658 B6R0.3 CC(C(=O)O)NC TS31640 [0,2,0,0,0,0|0,0,0]=2 1659 B6R0.3 CC(C(=O)OC)Br TS12330 [0,2,0,0,0,0|1,0,0]=3 1660 B6R0.3 CC(C(=O)OC)Br TS93879 [0,2,0,0,0,0|1,0,0]=3 1661 B6R0.3 CC(C(=O)OC)Cl TS04944 [0,2,0,0,0,0|1,0,0]=3 1662 B6R0.3 CC(C(=O)OC)N TS55725 [0,2,0,0,0,0|0,0,0]=2 1663 B6R0.3 CC(C(=O)OC)O TS31661 [0,2,0,0,0,0|1,0,0]=3 1664 B6R0.3 CC(C)C(=N)OC TS37144 [0,2,0,0,0,0|2,0,0]=4 1665 B6R0.3 CC(C)C(=NO)N TS31597 [0,2,0,0,0,0|2,0,0]=4 1666 B6R0.3 CC(C)C(=O)CBr TS00029 [0,2,0,0,0,0|2,0,0]=4 1667 B6R0.3 CC(C)C(=O)NN TS31595 [0,2,0,0,0,0|2,0,0]=4 1668 B6R0.3 CC(C)C(=O)NN TS66305 [0,2,0,0,0,0|2,0,0]=4 1669 B6R0.3 CC(C)C(=O)NO TS03991 [0,2,0,0,0,0|1,0,0]=3 1670 B6R0.3 CC(C)C(=O)OC TS03944 [0,2,0,0,0,0|1,0,0]=3 1671 B6R0.3 CC(C)C(=O)O[SiH3] TS32367 [0,2,0,0,0,0|1,0,0]=3 1672 B6R0.3 CC(C=C)C(=O)O TS03843 [0,2,0,0,0,0|1,0,0]=3 1673 B6R0.3 CC(CN)C(=O)O TS04859 [0,2,0,0,0,0|0,0,0]=2 1674 B6R0.3 CC(CN)C(=O)O TS31641 [0,2,0,0,0,0|0,0,0]=2 1675 B6R0.3 CC(CO)C(=O)C TS03953 [0,2,0,0,0,0|2,0,0]=4 1676 B6R0.3 CC(CS)C(=O)O TS04823 [0,2,0,0,0,0|1,0,0]=3 1677 B6R0.3 CC=C(C)C(=O)O TS03838 [0,2,0,0,0,0|1,0,1]=4 1678 B6R0.3 CC=C(C)C(=O)O TS03840 [0,2,0,0,0,0|1,0,1]=4 1679 B6R0.3 CCC(=O)C(=O)C TS03844 [0,2,0,0,0,0|1,0,1]=4 1680 B6R0.3 CCC(=O)C(=O)O TS31578 [0,2,0,0,0,0|1,0,0]=3 1681 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [0,2,0,0,0,0|1,0,1]=4 1682 B6R0.3 CCC(=O)C(C)C TS31520 [0,2,0,0,0,0|2,0,0]=4 1683 B6R0.3 CCC(=O)N(C)C TS31553 [0,2,0,0,0,0|2,0,0]=4 1684 B6R0.3 CCC(C(=O)Br)Br TS52915 [0,2,0,0,0,0|2,0,0]=4 1685 B6R0.3 CCC(C(=O)C)S TS32355 [0,2,0,0,0,0|2,0,0]=4 1686 B6R0.3 CCC(C(=O)Cl)Br TS48787 [0,2,0,0,0,0|2,0,0]=4 1687 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [0,2,0,0,0,0|2,0,0]=4 1688 B6R0.3 CCC(C(=O)N)Cl TS04875 [0,2,0,0,0,0|2,0,0]=4 1689 B6R0.3 CCC(C(=O)N)N TS93870 [0,2,0,0,0,0|1,0,0]=3 1690 B6R0.3 CCC(C(=O)N)N TS94086 [0,2,0,0,0,0|1,0,0]=3 1691 B6R0.3 CCC(C(=O)O)Br TS12329 [0,2,0,0,0,0|1,0,0]=3 1692 B6R0.3 CCC(C(=O)O)Cl TS04940 [0,2,0,0,0,0|1,0,0]=3 1693 B6R0.3 CCC(C(=O)O)N TS45781 [0,2,0,0,0,0|0,0,0]=2 1694 B6R0.3 CCC(C(=O)O)N TS47470 [0,2,0,0,0,0|0,0,0]=2 1695 B6R0.3 CCC(C(=O)O)O TS31670 [0,2,0,0,0,0|1,0,0]=3 1696 B6R0.3 CCC(C(=O)[O-])O TS05131 [0,2,0,0,0,0|1,0,1]=4 1697 B6R0.3 CCC(C)C(=O)C TS31518 [0,2,0,0,0,0|2,0,0]=4 1698 B6R0.3 CCC(C)C(=O)Cl TS04836 [0,2,0,0,0,0|2,0,0]=4 1699 B6R0.3 CCC(C)C(=O)O TS03945 [0,2,0,0,0,0|1,0,0]=3 1700 B6R0.3 CCN(C)C(=O)Cl TS56394 [0,2,0,0,0,0|2,0,0]=4 1701 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [0,2,0,0,0,0|1,0,0]=3 1702 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [0,2,0,0,0,0|0,0,0]=2 1703 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [0,2,0,0,0,0|1,0,0]=3 1704 B6R0.3 CC[C@H](C(=O)N)N TS93011 [0,2,0,0,0,0|1,0,0]=3 1705 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [0,2,0,0,0,0|1,0,0]=3 1706 B6R0.3 CC[C@H](C(=O)O)N TS64880 [0,2,0,0,0,0|0,0,0]=2 1707 B6R0.3 CN(C)C(=O)CCl TS55283 [0,2,0,0,0,0|2,0,0]=4 1708 B6R0.3 CN(C)C(=O)CN TS00812 [0,2,0,0,0,0|1,0,0]=3 1709 B6R0.3 CN(C)C(=O)CN TS40036 [0,2,0,0,0,0|1,0,0]=3 1710 B6R0.3 CNC(=O)C(Cl)Cl TS06629 [0,2,0,0,0,0|2,0,0]=4 1711 B6R0.3 CNC(=O)C(F)Br TS45075 [0,2,0,0,0,0|2,0,0]=4 1712 B6R0.3 CNC(=O)C(F)Cl TS36077 [0,2,0,0,0,0|2,0,0]=4 1713 B6R0.3 COC(=O)C(=C)F TS31658 [0,2,0,0,0,0|1,0,1]=4 1714 B6R0.3 COC(=O)C(=O)Cl TS34587 [0,2,0,0,0,0|1,0,1]=4 1715 B6R0.3 COC(=O)C(=O)N TS31629 [0,2,0,0,0,0|0,0,1]=3 1716 B6R0.3 COC(=O)C(Br)Br TS25148 [0,2,0,0,0,0|1,0,0]=3 1717 B6R0.3 COC(=O)C(Cl)Br TS50602 [0,2,0,0,0,0|1,0,0]=3 1718 B6R0.3 COC(=O)C(Cl)Cl TS06813 [0,2,0,0,0,0|1,0,0]=3 1719 B6R0.3 COC(=O)C(F)F TS56318 [0,2,0,0,0,0|1,0,0]=3 1720 B6R0.3 C[C@@H](C(=O)O)NC TS31642 [0,2,0,0,0,0|0,0,0]=2 1721 B6R0.3 C[C@@H](C(=O)O)NC TS37312 [0,2,0,0,0,0|0,0,0]=2 1722 B6R0.3 C[C@@H](C(=O)O)OC TS31663 [0,2,0,0,0,0|1,0,0]=3 1723 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [0,2,0,0,0,0|0,0,0]=2 1724 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [0,2,0,0,0,0|1,0,0]=3 1725 B6R0.3 C[C@@H](CO)C(=O)O TS04019 [0,2,0,0,0,0|1,0,0]=3 1726 B6R0.3 C[C@@H]([C@H](CO)N)O TS33038 [0,2,0,0,0,0|1,0,1]=4 1727 B6R0.3 C[C@H](C(=O)N)OC TS31644 [0,2,0,0,0,0|2,0,0]=4 1728 B6R0.3 C[C@H](C(=O)OC)F TS31728 [0,2,0,0,0,0|1,0,0]=3 1729 B6R0.3 C[C@H](C(=O)OC)N TS01765 [0,2,0,0,0,0|0,0,0]=2 1730 B6R0.3 C[C@H](C(=O)OC)O TS04018 [0,2,0,0,0,0|1,0,0]=3 1731 B6R0.3 C[C@H](CCl)C(=O)Cl TS06547 [0,2,0,0,0,0|2,0,0]=4 1732 B6R0.3 C[C@H](CO)C(=O)O TS31672 [0,2,0,0,0,0|1,0,0]=3 1733 B6R0.3 C[C@H]([C@@H](CO)N)O TS07680 [0,2,0,0,0,0|1,0,1]=4 1734 B6R0.4 C#CCCC(=O)O TS03769 [0,2,0,0,0,0|1,0,0]=3 1735 B6R0.4 C#CCOC(=O)Cl TS04763 [0,2,0,0,0,0|2,0,0]=4 1736 B6R0.4 C(C#CC(=O)O)O TS31490 [0,2,0,0,0,0|1,0,0]=3 1737 B6R0.4 C(C(=O)O)NC=O TS31630 [0,2,0,0,0,0|0,0,0]=2 1738 B6R0.4 C(C(=O)O)[Se]C#N TS42657 [0,2,0,0,0,0|0,0,1]=3 1739 B6R0.4 C(C=CC(=O)O)Br TS42842 [0,2,0,0,0,0|1,0,0]=3 1740 B6R0.4 C(C=CC(=O)O)O TS31577 [0,2,0,0,0,0|1,0,0]=3 1741 B6R0.4 C(CBr)OC(=O)Cl TS50601 [0,2,0,0,0,0|2,0,0]=4 1742 B6R0.4 C(CC(=O)Cl)CBr TS94813 [0,2,0,0,0,0|2,0,0]=4 1743 B6R0.4 C(CC(=O)Cl)CCl TS33157 [0,2,0,0,0,0|2,0,0]=4 1744 B6R0.4 C(CC(=O)N)CN TS37256 [0,2,0,0,0,0|1,0,0]=3 1745 B6R0.4 C(CC(=O)O)C#N TS02729 [0,2,0,0,0,0|0,0,1]=3 1746 B6R0.4 C(CC(=O)O)C=O TS31586 [0,2,0,0,0,0|1,0,0]=3 1747 B6R0.4 C(CC(=O)O)CBr TS39744 [0,2,0,0,0,0|1,0,0]=3 1748 B6R0.4 C(CC(=O)O)CI TS44433 [0,2,0,0,0,0|1,0,0]=3 1749 B6R0.4 C(CC(=O)O)CN TS31643 [0,2,0,0,0,0|0,0,0]=2 1750 B6R0.4 C(CC(=O)[O-])CO TS01692 [0,2,0,0,0,0|1,0,1]=4 1751 B6R0.4 C(CCl)NC(=O)N TS04945 [0,2,0,0,0,0|2,0,0]=4 1752 B6R0.4 C(CCl)OC(=O)Cl TS06815 [0,2,0,0,0,0|2,0,0]=4 1753 B6R0.4 C(CCl)OC(=O)N TS04987 [0,2,0,0,0,0|2,0,0]=4 1754 B6R0.4 C(CNC(=S)S)N TS37061 [0,2,0,0,0,0|0,2,0]=4 1755 B6R0.4 C(CO)NC(=O)N TS04021 [0,2,0,0,0,0|2,0,0]=4 1756 B6R0.4 C(CO[N+](=O)[O-])N TS31727 [0,2,0,0,0,0|1,0,1]=4 1757 B6R0.4 C=CC=CC(=O)O TS03760 [0,2,0,0,0,0|1,0,1]=4 1758 B6R0.4 C=CCCC(=O)Cl TS71274 [0,2,0,0,0,0|2,0,0]=4 1759 B6R0.4 C=CCCC(=O)O TS31497 [0,2,0,0,0,0|1,0,0]=3 1760 B6R0.4 C=CCNC(=O)N TS03854 [0,2,0,0,0,0|2,0,0]=4 1761 B6R0.4 C=CCOC(=O)Cl TS33219 [0,2,0,0,0,0|2,0,0]=4 1762 B6R0.4 C=CCOC(=O)N TS31538 [0,2,0,0,0,0|2,0,0]=4 1763 B6R0.4 C=CCSC(=O)Cl TS06139 [0,2,0,0,0,0|2,0,0]=4 1764 B6R0.4 CC(=O)CCC=C TS31440 [0,2,0,0,0,0|2,0,0]=4 1765 B6R0.4 CC(=O)CCCCl TS03260 [0,2,0,0,0,0|2,0,0]=4 1766 B6R0.4 CC(=O)CCCO TS39779 [0,2,0,0,0,0|2,0,0]=4 1767 B6R0.4 CC(=O)CCSC TS32359 [0,2,0,0,0,0|2,0,0]=4 1768 B6R0.4 CC(=O)NCCN TS31596 [0,2,0,0,0,0|1,0,0]=3 1769 B6R0.4 CC(=O)NCCO TS03989 [0,2,0,0,0,0|2,0,0]=4 1770 B6R0.4 CC(=O)NCCS TS04795 [0,2,0,0,0,0|2,0,0]=4 1771 B6R0.4 CC(=O)OCC#C TS03765 [0,2,0,0,0,0|2,0,0]=4 1772 B6R0.4 CC(=O)OCC=C TS03845 [0,2,0,0,0,0|2,0,0]=4 1773 B6R0.4 CC(=O)OCC=O TS31580 [0,2,0,0,0,0|2,0,0]=4 1774 B6R0.4 CC(=O)OCCBr TS55164 [0,2,0,0,0,0|2,0,0]=4 1775 B6R0.4 CC(=O)OCCCl TS04941 [0,2,0,0,0,0|2,0,0]=4 1776 B6R0.4 CC(=O)OCCO TS31665 [0,2,0,0,0,0|2,0,0]=4 1777 B6R0.4 CCC#CC(=O)C TS31369 [0,2,0,0,0,0|2,0,0]=4 1778 B6R0.4 CCC#CC(=O)O TS03759 [0,2,0,0,0,0|1,0,0]=3 1779 B6R0.4 CCC=CC(=O)C TS31424 [0,2,0,0,0,0|2,0,0]=4 1780 B6R0.4 CCC=CC(=O)O TS03448 [0,2,0,0,0,0|1,0,0]=3 1781 B6R0.4 CCC=CC(=O)O TS31503 [0,2,0,0,0,0|1,0,0]=3 1782 B6R0.4 CCCCC(=O)Br TS42846 [0,2,0,0,0,0|2,0,0]=4 1783 B6R0.4 CCCCC(=O)C TS31529 [0,2,0,0,0,0|2,0,0]=4 1784 B6R0.4 CCCCC(=O)Cl TS32451 [0,2,0,0,0,0|2,0,0]=4 1785 B6R0.4 CCCCC(=O)N TS31554 [0,2,0,0,0,0|2,0,0]=4 1786 B6R0.4 CCCCC(=O)O TS03958 [0,2,0,0,0,0|1,0,0]=3 1787 B6R0.4 CCCCC(=O)[O-] TS04789 [0,2,0,0,0,0|1,0,1]=4 1788 B6R0.4 CCCCC(=O)[O-] TS30457 [0,2,0,0,0,0|1,0,1]=4 1789 B6R0.4 CCCC[Sn](=O)O TS43570 [0,2,0,0,0,0|2,0,0]=4 1790 B6R0.4 CCCNC(=O)N TS31594 [0,2,0,0,0,0|2,0,0]=4 1791 B6R0.4 CCCNC(=O)[O-] TS31634 [0,2,0,0,0,0|1,0,1]=4 1792 B6R0.4 CCCOC(=O)C TS03949 [0,2,0,0,0,0|2,0,0]=4 1793 B6R0.4 CCCOC(=O)Cl TS55808 [0,2,0,0,0,0|2,0,0]=4 1794 B6R0.4 CCCSC(=O)C TS32364 [0,2,0,0,0,0|2,0,0]=4 1795 B6R0.4 CCCSC(=O)Cl TS06329 [0,2,0,0,0,0|2,0,0]=4 1796 B6R0.4 CCNCC(=C)C TS03829 [0,2,0,0,0,0|2,0,0]=4 1797 B6R0.4 CCNCC(=O)O TS01936 [0,2,0,0,0,0|0,0,0]=2 1798 B6R0.4 CCOCC(=O)O TS16814 [0,2,0,0,0,0|1,0,0]=3 1799 B6R0.4 CCSCC(=O)C TS32360 [0,2,0,0,0,0|2,0,0]=4 1800 B6R0.4 CCSCC(=O)O TS04822 [0,2,0,0,0,0|1,0,0]=3 1801 B6R0.4 CNCCC(=O)O TS03990 [0,2,0,0,0,0|0,0,0]=2 1802 B6R0.4 COCCC(=O)O TS31660 [0,2,0,0,0,0|1,0,0]=3 1803 B6R0.5 C(CBr)P(=O)(O)O TS16107 [0,2,0,0,0,0|2,0,0]=4 1804 B6R0.5 C(CCl)P(=O)(O)O TS40255 [0,2,0,0,0,0|2,0,0]=4 1805 B6R0.5 C(CP(=O)(O)O)N TS36042 [0,2,0,0,0,0|1,0,0]=3 1806 B6R0.5 C(CP(=O)(O)O)O TS36098 [0,2,0,0,0,0|2,0,0]=4 1807 B6R0.5 C(CS(=O)(=O)N)N TS11336 [0,2,0,0,0,0|1,0,1]=4 1808 B6R0.5 C(CS(=O)(=O)O)N TS36057 [0,2,0,0,0,0|1,0,0]=3 1809 B6R0.5 C(CS(=O)(=O)O)O TS01831 [0,2,0,0,0,0|2,0,0]=4 1810 B6R0.5 C=CC[As](=O)(O)O TS42983 [0,2,0,0,0,0|2,0,0]=4 1811 B6R0.5 CCCP(=O)(O)O TS05003 [0,2,0,0,0,0|2,0,0]=4 1812 B6R0.5 CCCS(=O)(=O)O TS47023 [0,2,0,0,0,0|2,0,0]=4 1813 B6R0.5 CNCP(=O)(O)O TS36043 [0,2,0,0,0,0|1,0,0]=3 1814 B6R0.5 CS(=O)(=O)CCN TS32778 [0,2,0,0,0,0|1,0,1]=4 1815 B6R0.8 C(O)P(=O)(CO)O TS36099 [0,2,0,0,0,0|2,0,0]=4 1816 B6R0.8 CC(C)(CN)CO TS04011 [0,2,0,0,0,0|1,0,1]=4 1817 B6R0.9 C(C(=NO)CO)O TS04072 [0,2,0,0,0,0|1,0,1]=4 1818 B6R0.9 CCC(=CC)C=O TS31448 [0,2,0,0,0,0|2,0,0]=4 1819 B6R0.9 COC(CN)OC TS34632 [0,2,0,0,0,0|0,0,2]=4 1820 B6R0.7 C(=O)(C(Br)(Br)Br)Cl TS61202 [0,2,0,0,0,0|2,0,0]=4 1821 B6R0.7 C(=O)(C(Br)(Br)Br)O TS35941 [0,2,0,0,0,0|1,0,0]=3 1822 B6R0.7 C(=O)(C(Cl)(Br)Br)O TS63142 [0,2,0,0,0,0|1,0,0]=3 1823 B6R0.7 C(=O)(C(Cl)(Cl)Br)O TS20464 [0,2,0,0,0,0|1,0,0]=3 1824 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl TS14858 [0,2,0,0,0,0|2,0,0]=4 1825 B6R0.7 C(=O)(C(Cl)(Cl)Cl)N TS42519 [0,2,0,0,0,0|2,0,0]=4 1826 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O TS42644 [0,2,0,0,0,0|1,0,0]=3 1827 B6R0.7 C(=O)(C(Cl)(Cl)Cl)[O-] TS48784 [0,2,0,0,0,0|1,0,1]=4 1828 B6R0.7 C(=O)(C(F)(Br)Br)O TS25810 [0,2,0,0,0,0|1,0,0]=3 1829 B6R0.7 C(=O)(C(F)(F)Br)Br TS57010 [0,2,0,0,0,0|2,0,0]=4 1830 B6R0.7 C(=O)(C(F)(F)Br)Cl TS17722 [0,2,0,0,0,0|2,0,0]=4 1831 B6R0.7 C(=O)(C(F)(F)Br)F TS46213 [0,2,0,0,0,0|2,0,0]=4 1832 B6R0.7 C(=O)(C(F)(F)Br)N TS45711 [0,2,0,0,0,0|2,0,0]=4 1833 B6R0.7 C(=O)(C(F)(F)Br)O TS45887 [0,2,0,0,0,0|1,0,0]=3 1834 B6R0.7 C(=O)(C(F)(F)Cl)Br TS17721 [0,2,0,0,0,0|2,0,0]=4 1835 B6R0.7 C(=O)(C(F)(F)Cl)Cl TS07527 [0,2,0,0,0,0|2,0,0]=4 1836 B6R0.7 C(=O)(C(F)(F)Cl)F TS36726 [0,2,0,0,0,0|2,0,0]=4 1837 B6R0.7 C(=O)(C(F)(F)Cl)N TS05501 [0,2,0,0,0,0|2,0,0]=4 1838 B6R0.7 C(=O)(C(F)(F)Cl)O TS55807 [0,2,0,0,0,0|1,0,0]=3 1839 B6R0.7 C(=O)(C(F)(F)Cl)[O-] TS01690 [0,2,0,0,0,0|1,0,1]=4 1840 B6R0.7 C(=O)(C(F)(F)F)Cl TS36725 [0,2,0,0,0,0|2,0,0]=4 1841 B6R0.7 C(=O)(C(F)(F)F)F TS04566 [0,2,0,0,0,0|2,0,0]=4 1842 B6R0.7 C(=O)(C(F)(F)F)N TS31996 [0,2,0,0,0,0|2,0,0]=4 1843 B6R0.7 C(=O)(C(F)(F)F)O TS04409 [0,2,0,0,0,0|1,0,0]=3 1844 B6R0.7 C(=O)(C(F)(F)F)O TS51600 [0,2,0,0,0,0|1,0,0]=3 1845 B6R0.7 C(=O)(C(F)(F)F)[O-] TS04805 [0,2,0,0,0,0|1,0,1]=4 1846 B6R0.7 C(=O)(C(F)(F)F)[O-] TS05630 [0,2,0,0,0,0|1,0,1]=4 1847 B6R0.7 C(=O)(C(F)(F)F)[O-] TS23207 [0,2,0,0,0,0|1,0,1]=4 1848 B6R0.7 C(=O)(C(F)(F)F)[O-] TS35421 [0,2,0,0,0,0|1,0,1]=4 1849 B6R0.7 C(=O)(C(F)(F)F)[O-] TS39947 [0,2,0,0,0,0|1,0,1]=4 1850 B6R0.7 C(=O)(C(F)(F)F)[O-] TS41081 [0,2,0,0,0,0|1,0,1]=4 1851 B6R0.7 C(=O)(C(F)(F)F)[O-] TS55772 [0,2,0,0,0,0|1,0,1]=4 1852 B6R0.7 C(=O)(C(F)(F)F)[O-] TS62230 [0,2,0,0,0,0|1,0,1]=4 1853 B6R0.7 C(=O)(C(F)(F)F)[O-] TS70168 [0,2,0,0,0,0|1,0,1]=4 1854 B6R0.7 C(=O)(C(F)(F)F)[O-] TS80745 [0,2,0,0,0,0|1,0,1]=4 1855 B6R0.7 C(=O)(C(F)(F)F)[O-] TS82291 [0,2,0,0,0,0|1,0,1]=4 1856 B6R0.7 C(=O)(C(F)(F)F)[O-] TS83701 [0,2,0,0,0,0|1,0,1]=4 1857 B6R0.7 CC(=O)C(C)(C)C TS00117 [0,2,0,0,0,0|2,0,0]=4 1858 B6R0.7 CC(=O)C(C)(C)Cl TS32448 [0,2,0,0,0,0|2,0,0]=4 1859 B6R0.7 CC(=O)C(C)(C)O TS31591 [0,2,0,0,0,0|2,0,0]=4 1860 B6R0.7 CC(=O)C(Cl)(Cl)Cl TS11457 [0,2,0,0,0,0|2,0,0]=4 1861 B6R0.7 CC(=O)C(F)(F)F TS04264 [0,2,0,0,0,0|2,0,0]=4 1862 B6R0.7 CC(C(=O)N)(F)F TS31789 [0,2,0,0,0,0|2,0,0]=4 1863 B6R0.7 CC(C(=O)O)(Cl)Cl TS06816 [0,2,0,0,0,0|1,0,0]=3 1864 B6R0.7 CC(C(=O)O)(F)F TS04179 [0,2,0,0,0,0|1,0,0]=3 1865 B6R0.7 CC(C(=O)[O-])(Cl)Cl TS42839 [0,2,0,0,0,0|1,0,1]=4 1866 B6R0.7 CC(C)(C(=O)Br)Br TS55080 [0,2,0,0,0,0|2,0,0]=4 1867 B6R0.7 CC(C)(C(=O)Cl)Cl TS06549 [0,2,0,0,0,0|2,0,0]=4 1868 B6R0.7 CC(C)(C(=O)N)Br TS42985 [0,2,0,0,0,0|2,0,0]=4 1869 B6R0.7 CC(C)(C(=O)N)O TS03994 [0,2,0,0,0,0|2,0,0]=4 1870 B6R0.7 CC(C)(C(=O)O)Br TS12333 [0,2,0,0,0,0|1,0,0]=3 1871 B6R0.7 CC(C)(C(=O)O)F TS31729 [0,2,0,0,0,0|1,0,0]=3 1872 B6R0.7 CC(C)(C(=O)O)N TS59938 [0,2,0,0,0,0|0,0,0]=2 1873 B6R0.7 CC(C)(C(=O)O)O TS39665 [0,2,0,0,0,0|1,0,0]=3 1874 B6R0.7 CC(C)(C(=O)O)S TS16701 [0,2,0,0,0,0|1,0,0]=3 1875 B6R0.7 CC(C)(C)C(=O)Cl TS39623 [0,2,0,0,0,0|2,0,0]=4 1876 B6R0.7 CC(C)(C)C(=O)N TS03907 [0,2,0,0,0,0|2,0,0]=4 1877 B6R0.7 CC(C)(C)C(=O)O TS59813 [0,2,0,0,0,0|1,0,0]=3 1878 B6R0.7 CC(C)(C)C(=O)[O-] TS37551 [0,2,0,0,0,0|1,0,1]=4 1879 B6R0.7 CC(C)(C)C(=O)[O-] TS93485 [0,2,0,0,0,0|1,0,1]=4 1880 B6R0.7 CC(C)(C)C(=S)O TS32363 [0,2,0,0,0,0|1,1,0]=4 1881 B6R0.7 CC(C)P(=O)(O)O TS05004 [0,2,0,0,0,0|2,0,0]=4 1882 B6R0.7 CC(N)P(=O)(O)O TS36041 [0,2,0,0,0,0|1,0,0]=3 1883 B4R1.1 C1CC=C1 TS65575 [1,0,0,1,0,0|2,0,0]=4 1884 B4R1.1 C1CNC1 TS55736 [1,0,0,1,0,0|1,0,1]=4 1885 B4R1.1 C1CNC1 TS55738 [1,0,0,1,0,0|1,0,1]=4 1886 B4R1.1 C1CNC1 TS91474 [1,0,0,1,0,0|1,0,1]=4 1887 B4R1.1 C1COC1 TS02415 [1,0,0,1,0,0|1,0,1]=4 1888 B4R1.2 C1CC1N TS55837 [1,0,0,1,0,0|1,0,1]=4 1889 B4R1.2 C=C1CC1 TS65571 [1,0,0,1,0,0|2,0,0]=4 1890 B4R1.2 CC1CN1 TS00100 [1,0,0,1,0,0|1,0,1]=4 1891 B4R1.2 CC1CO1 TS02417 [1,0,0,1,0,0|1,0,1]=4 1892 B4R1.2 C[C@@H]1CN1 TS02413 [1,0,0,1,0,0|1,0,1]=4 1893 B4R1.2 C[C@@H]1CO1 TS46587 [1,0,0,1,0,0|1,0,1]=4 1894 B4R1.2 C[C@H]1CN1 TS08126 [1,0,0,1,0,0|1,0,1]=4 1895 B4R1.2 C[C@H]1CO1 TS59490 [1,0,0,1,0,0|1,0,1]=4 1896 B4R1.2 c1cc1=O TS65568 [1,0,0,1,0,0|1,0,1]=4 1897 B6R1.2 C1C(=O)NCN1 TS32972 [0,1,0,1,0,0|1,0,0]=3 1898 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,1,0,1,0,0|1,0,0]=3 1899 B6R1.2 C1C=CC(=O)N1 TS71697 [0,1,0,1,0,0|2,0,0]=4 1900 B6R1.2 C1C=CC(=O)O1 TS03476 [0,1,0,1,0,0|1,0,1]=4 1901 B6R1.2 C1C=CCC1=O TS03462 [0,1,0,1,0,0|2,0,0]=4 1902 B6R1.2 C1CC(=O)C=C1 TS00977 [0,1,0,1,0,0|2,0,0]=4 1903 B6R1.2 C1CC(=O)NC1 TS39938 [0,1,0,1,0,0|2,0,0]=4 1904 B6R1.2 C1CC(=O)NC1 TS63365 [0,1,0,1,0,0|2,0,0]=4 1905 B6R1.2 C1CC(=O)SC1 TS31607 [0,1,0,1,0,0|1,1,0]=4 1906 B6R1.2 C1CCC(=O)C1 TS03493 [0,1,0,1,0,0|2,0,0]=4 1907 B6R1.2 C1CNC(=O)N1 TS93146 [0,1,0,1,0,0|2,0,0]=4 1908 B6R1.2 C1CNCC1=O TS88446 [0,1,0,1,0,0|1,0,0]=3 1909 B6R1.2 C1CNCC1O TS02802 [0,1,0,1,0,0|1,0,1]=4 1910 B6R1.2 C1CNC[C@@H]1O TS87275 [0,1,0,1,0,0|1,0,1]=4 1911 B6R1.2 C1CNC[C@@H]1O TS87623 [0,1,0,1,0,0|1,0,1]=4 1912 B6R1.2 C1CNC[C@H]1O TS46618 [0,1,0,1,0,0|1,0,1]=4 1913 B6R1.2 C1CNC[C@H]1O TS46665 [0,1,0,1,0,0|1,0,1]=4 1914 B6R1.2 C1CNC[C@H]1O TS91049 [0,1,0,1,0,0|1,0,1]=4 1915 B6R1.2 C1CNC[C@H]1O TS94423 [0,1,0,1,0,0|1,0,1]=4 1916 B6R1.2 C1CNNC1=O TS04946 [0,1,0,1,0,0|1,0,0]=3 1917 B6R1.2 C1COC(=O)N1 TS03552 [0,1,0,1,0,0|1,0,0]=3 1918 B6R1.2 C1COC(=O)O1 TS71793 [0,1,0,1,0,0|1,0,0]=3 1919 B6R1.2 C1COC(=S)N1 TS03998 [0,1,0,1,0,0|1,1,0]=4 1920 B6R1.2 C1COCC1=O TS01440 [0,1,0,1,0,0|1,0,0]=3 1921 B6R1.2 C1COS(=O)O1 TS08730 [0,1,0,1,0,0|2,0,0]=4 1922 B6R1.2 C1CSC(=O)N1 TS03996 [0,1,0,1,0,0|1,1,0]=4 1923 B6R1.2 C1CSCC1=O TS81072 [0,1,0,1,0,0|1,1,0]=4 1924 B6R1.2 CC1=CCCO1 TS03492 [0,1,0,1,0,0|2,0,0]=4 1925 B6R1.2 CC1=NCCO1 TS71733 [0,1,0,1,0,0|2,0,0]=4 1926 B6R1.2 c1coc(=O)o1 TS16828 [0,1,0,1,0,0|1,0,1]=4 1927 B6R1.5 C1C(CC1=O)Br TS90589 [0,1,0,1,0,0|2,0,0]=4 1928 B6R1.5 C1C(CC1=O)F TS92277 [0,1,0,1,0,0|2,0,0]=4 1929 B6R1.5 C1C(CC1=O)N TS88191 [0,1,0,1,0,0|1,0,0]=3 1930 B6R1.5 C1C(CC1O)N TS87393 [0,1,0,1,0,0|1,0,1]=4 1931 B6R1.5 C1[C@@H](C[C@@H]1N)O TS01386 [0,1,0,1,0,0|1,0,1]=4 1932 B6R1.5 C1[C@@H](C[C@@H]1N)O TS85827 [0,1,0,1,0,0|1,0,1]=4 1933 B6R1.5 C1[C@@H](C[C@H]1N)O TS59458 [0,1,0,1,0,0|1,0,1]=4 1934 B6R1.5 C1[C@@H](C[C@H]1N)O TS86662 [0,1,0,1,0,0|1,0,1]=4 1935 B6R1.5 C1[C@@H](C[C@H]1N)O TS87898 [0,1,0,1,0,0|1,0,1]=4 1936 B6R1.5 C=C1CC(=O)O1 TS55716 [0,1,0,1,0,0|1,0,0]=3 1937 B6R1.5 CC1CC(=O)N1 TS71735 [0,1,0,1,0,0|2,0,0]=4 1938 B6R1.5 CN1CC(C1)O TS90519 [0,1,0,1,0,0|1,0,1]=4 1939 B6R1.10 CC1(CNC1)O TS89652 [0,1,0,1,0,0|1,0,1]=4 1940 B6R1.11 C1C(O1)C(=O)N TS03556 [0,1,0,1,0,0|2,0,0]=4 1941 B6R1.11 C1C(O1)C(=O)O TS71796 [0,1,0,1,0,0|1,0,0]=3 1942 B6R1.11 C1CC1C(=O)Cl TS22948 [0,1,0,1,0,0|2,0,0]=4 1943 B6R1.11 C1CC1C(=O)N TS55831 [0,1,0,1,0,0|2,0,0]=4 1944 B6R1.11 C1CC1C(=O)O TS55832 [0,1,0,1,0,0|1,0,0]=3 1945 B6R1.11 C1[C@H](N1)C(=O)[O-] TS71873 [0,1,0,1,0,0|0,0,1]=3 1946 B6R1.11 CC(=O)C1CC1 TS39597 [0,1,0,1,0,0|2,0,0]=4 1947 B6R1.11 CC(=O)C1CO1 TS03532 [0,1,0,1,0,0|2,0,0]=4 1948 B6R1.11 CC(=O)N1CC1 TS03506 [0,1,0,1,0,0|2,0,0]=4 1949 B6R1.4 CC1C(CN1)O TS92907 [0,1,0,1,0,0|1,0,1]=4 1950 B6R1.6 C1C(CN1)CO TS91597 [0,1,0,1,0,0|1,0,1]=4 1951 B6R1.6 C1C(CO1)CN TS89704 [0,1,0,1,0,0|1,0,1]=4 1952 B6R1.6 C1COC1CN TS86216 [0,1,0,1,0,0|1,0,1]=4 1953 B6R1.6 COC1CNC1 TS02818 [0,1,0,1,0,0|1,0,1]=4 1954 B6R1.7 C1CC1(CN)O TS71768 [0,1,0,1,0,0|1,0,1]=4