0 B3R0.2 CC(=O)O D00010 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)[O-] D00931 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.2 CC(=O)[O-] D01154 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(=O)[O-] D01779 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.2 CC(=O)[O-] D01945 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CC(=O)[O-] D02257 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(=O)[O-] D03611 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.2 CC(=O)[O-] D06408 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.2 CC(=O)[O-] D08134 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.2 CC(C)=O D02311 [0,0,0,0,0,0|2,0,1]=3 10 B3R0.2 CC(C)C D04623 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.2 CC(C)N D04609 [0,0,0,0,0,0|2,0,1]=3 12 B3R0.2 CC(C)O D00137 [0,0,0,0,0,0|2,0,1]=3 13 B3R0.2 CS(C)=O D01043 [0,0,0,0,0,0|3,0,1]=4 14 B3R0.2 C[11C](=O)[O-] D05850 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.2 Cl[51Cr](Cl)Cl D03480 [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 Cl[59Fe](Cl)Cl D04166 [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 Cl[AlH3](Cl)Cl D02845 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.2 Cl[Cr](Cl)Cl D03479 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 Cl[In](Cl)Cl D02107 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.2 IC(I)I D01910 [0,0,0,0,0,0|3,0,1]=4 21 B3R0.2 NC(=O)[O-] D02919 [0,0,0,0,0,0|1,0,1]=2 22 B3R0.2 NC(N)=O D00023 [0,0,0,0,0,0|0,0,2]=2 23 B3R0.2 NC(N)=O D03383 [0,0,0,0,0,0|0,0,2]=2 24 B3R0.2 N[13C](N)=O D01749 [0,0,0,0,0,0|0,0,2]=2 25 B3R0.2 N[14C](N)=O D10496 [0,0,0,0,0,0|0,0,2]=2 26 B3R0.2 O=C([O-])O D01203 [0,0,0,0,0,0|2,0,0]=2 27 B3R0.2 O=C([O-])O D02077 [0,0,0,0,0,0|2,0,0]=2 28 B3R0.2 O=C([O-])[O-] D00801 [0,0,0,0,0,0|2,0,1]=3 29 B3R0.2 O=C([O-])[O-] D00932 [0,0,0,0,0,0|2,0,1]=3 30 B3R0.2 O=C([O-])[O-] D01446 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.2 O=C([O-])[O-] D01780 [0,0,0,0,0,0|2,0,1]=3 32 B3R0.2 O=C([O-])[O-] D02038 [0,0,0,0,0,0|2,0,1]=3 33 B3R0.2 O=C([O-])[O-] D02821 [0,0,0,0,0,0|2,0,1]=3 34 B3R0.2 O=C([O-])[O-] D02844 [0,0,0,0,0,0|2,0,1]=3 35 B3R0.2 O=C([O-])[O-] D04667 [0,0,0,0,0,0|2,0,1]=3 36 B3R0.2 O=C([O-])[O-] D05283 [0,0,0,0,0,0|2,0,1]=3 37 B3R0.2 O=P(=O)[O-] D05582 [0,0,0,0,0,0|3,0,1]=4 38 B3R0.2 O=S([O-])O D02059 [0,0,0,0,0,0|3,0,0]=3 39 B3R0.2 O=S([O-])[O-] D09002 [0,0,0,0,0,0|3,0,1]=4 40 B3R0.2 O=[13C]([O-])[O-] D10802 [0,0,0,0,0,0|2,0,1]=3 41 B3R0.2 O=[N+]([O-])O D02313 [0,0,0,0,0,0|3,0,0]=3 42 B3R0.2 O=[N+]([O-])[O-] D00940 [0,0,0,0,0,0|3,0,1]=4 43 B3R0.2 O=[N+]([O-])[O-] D01730 [0,0,0,0,0,0|3,0,1]=4 44 B3R0.2 O=[N+]([O-])[O-] D02051 [0,0,0,0,0,0|3,0,1]=4 45 B3R0.2 O=[N+]([O-])[O-] D05840 [0,0,0,0,0,0|3,0,1]=4 46 B3R0.2 O=[N+]([O-])[O-] D05934 [0,0,0,0,0,0|3,0,1]=4 47 B3R0.2 O=[Se](O)O D05814 [0,0,0,0,0,0|3,0,0]=3 48 B3R0.2 O=[Se]([O-])[O-] D10530 [0,0,0,0,0,0|3,0,1]=4 49 B3R0.2 OB(O)O D01089 [0,0,0,0,0,0|3,0,0]=3 50 B3R0.2 O[AlH3](O)O D02416 [0,0,0,0,0,0|3,0,0]=3 51 B3R0.2 O[AlH3](O)O D02807 [0,0,0,0,0,0|3,0,0]=3 52 B3R0.2 [K][IH2](I)I D00860 [0,0,0,0,0,0|4,0,0]=4 53 B2R0.1 Br[Ca]Br D01723 [1,0,0,0,0,0|3,0,0]=4 54 B2R0.1 CCC D05625 [1,0,0,0,0,0|2,0,1]=4 55 B2R0.1 CCCl D04088 [1,0,0,0,0,0|2,0,1]=4 56 B2R0.1 CCO D00068 [1,0,0,0,0,0|1,0,1]=3 57 B2R0.1 ClCCl D02330 [1,0,0,0,0,0|2,0,1]=4 58 B2R0.1 Cl[223Ra]Cl D10398 [1,0,0,0,0,0|3,0,0]=4 59 B2R0.1 Cl[45Ca]Cl D03289 [1,0,0,0,0,0|3,0,0]=4 60 B2R0.1 Cl[47Ca]Cl D03291 [1,0,0,0,0,0|3,0,0]=4 61 B2R0.1 Cl[57Co]Cl D03574 [1,0,0,0,0,0|3,0,0]=4 62 B2R0.1 Cl[60Co]Cl D03575 [1,0,0,0,0,0|3,0,0]=4 63 B2R0.1 Cl[65Zn]Cl D06369 [1,0,0,0,0,0|3,0,0]=4 64 B2R0.1 Cl[85Sr]Cl D05933 [1,0,0,0,0,0|3,0,0]=4 65 B2R0.1 Cl[89Sr]Cl D02006 [1,0,0,0,0,0|3,0,0]=4 66 B2R0.1 Cl[Ca]Cl D02256 [1,0,0,0,0,0|3,0,0]=4 67 B2R0.1 Cl[Cu]Cl D03612 [1,0,0,0,0,0|3,0,0]=4 68 B2R0.1 Cl[Hg]Cl D01905 [1,0,0,0,0,0|3,0,0]=4 69 B2R0.1 Cl[Mg]Cl D04834 [1,0,0,0,0,0|3,0,0]=4 70 B2R0.1 Cl[Mn]Cl D04852 [1,0,0,0,0,0|3,0,0]=4 71 B2R0.1 Cl[Pt]Cl D00275 [1,0,0,0,0,0|3,0,0]=4 72 B2R0.1 Cl[SnH2]Cl D05918 [1,0,0,0,0,0|3,0,0]=4 73 B2R0.1 Cl[Zn]Cl D02058 [1,0,0,0,0,0|3,0,0]=4 74 B2R0.1 F[SnH2]F D05919 [1,0,0,0,0,0|3,0,0]=4 75 B2R0.1 I[Zn]I D04837 [1,0,0,0,0,0|3,0,0]=4 76 B2R0.1 N#CN D00123 [1,0,0,0,0,0|0,0,2]=3 77 B2R0.1 N#C[N-2] D03288 [1,0,0,0,0,0|0,0,3]=4 78 B2R0.1 N[Hg]Cl D04934 [1,0,0,0,0,0|2,0,0]=3 79 B2R0.1 O=C=O D00004 [1,0,0,0,0,0|1,0,2]=4 80 B2R0.1 O=N[O-] D05865 [1,0,0,0,0,0|2,0,1]=4 81 B2R0.1 O=S=O D05961 [1,0,0,0,0,0|2,0,1]=4 82 B2R0.1 O=[Si]=O D05839 [1,0,0,0,0,0|1,1,1]=4 83 B2R0.1 O=[Si]=O D06521 [1,0,0,0,0,0|1,1,1]=4 84 B2R0.1 O=[Si]=O D06522 [1,0,0,0,0,0|1,1,1]=4 85 B2R0.1 O=[Ti]=O D01931 [1,0,0,0,0,0|2,0,1]=4 86 B2R0.1 O[Ca]O D01083 [1,0,0,0,0,0|2,0,0]=3 87 B2R0.1 O[Mg]O D00731 [1,0,0,0,0,0|2,0,0]=3 88 B2R0.1 P(=O)O D02334 [1,0,0,0,0,0|2,0,0]=3 89 B2R0.1 S=[Se]=S D05815 [1,0,0,0,0,0|2,1,0]=4 90 B2R0.1 [2H]O[2H] D03703 [1,0,0,0,0,0|3,0,0]=4 91 B2R0.1 [N-]=[N+]=O D00102 [1,0,0,0,0,0|1,0,2]=4 92 B2R0.1 [Na]S[Na] D09001 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 C=CC(=O)O D03392 [0,1,0,0,0,0|2,0,0]=3 94 B4R0.1 C=CC(=O)O D03393 [0,1,0,0,0,0|2,0,0]=3 95 B4R0.1 C=CC(=O)O D03394 [0,1,0,0,0,0|2,0,0]=3 96 B4R0.1 C=CC(=O)O D03395 [0,1,0,0,0,0|2,0,0]=3 97 B4R0.1 C=CC(=O)O D03396 [0,1,0,0,0,0|2,0,0]=3 98 B4R0.1 C=CC(=O)O D03397 [0,1,0,0,0,0|2,0,0]=3 99 B4R0.1 CC(=O)NO D00220 [0,1,0,0,0,0|1,0,1]=3 100 B4R0.1 CC(=O)OO D03467 [0,1,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(O)CO D00078 [0,1,0,0,0,0|2,0,1]=4 102 B4R0.1 CCC(=O)O D02310 [0,1,0,0,0,0|2,0,0]=3 103 B4R0.1 CCC(=O)[O-] D05872 [0,1,0,0,0,0|2,0,1]=4 104 B4R0.1 CCC(=O)[O-] D08440 [0,1,0,0,0,0|2,0,1]=4 105 B4R0.1 N=C(N)NN D05479 [0,1,0,0,0,0|1,0,0]=2 106 B4R0.1 NC(=O)NO D00341 [0,1,0,0,0,0|1,0,0]=2 107 B4R0.1 NCC(=O)O D00011 [0,1,0,0,0,0|1,0,0]=2 108 B4R0.1 NCC(=O)[O-] D08016 [0,1,0,0,0,0|1,0,1]=3 109 B4R0.1 O=C(O)CCl D07677 [0,1,0,0,0,0|2,0,0]=3 110 B4R0.1 O=S(O)C[O-] D05861 [0,1,0,0,0,0|3,0,0]=4 111 B4R0.1 [*]CC([*])O D02320 [0,1,0,0,0,0|2,0,1]=4 112 B4R0.3 O=P(O)(O)O D05467 [0,1,0,0,0,0|3,0,0]=4 113 B4R0.3 O=P([O-])(O)O D02050 [0,1,0,0,0,0|3,0,0]=4 114 B4R0.3 O=P([O-])(O)O D04400 [0,1,0,0,0,0|3,0,0]=4 115 B4R0.3 O=P([O-])(O)O D06391 [0,1,0,0,0,0|3,0,0]=4 116 B4R0.3 O=P([O-])([O-])O D00937 [0,1,0,0,0,0|3,0,0]=4 117 B4R0.3 O=P([O-])([O-])O D02403 [0,1,0,0,0,0|3,0,0]=4 118 B4R0.3 O=P([O-])([O-])O D02921 [0,1,0,0,0,0|3,0,0]=4 119 B4R0.3 O=P([O-])([O-])O D03302 [0,1,0,0,0,0|3,0,0]=4 120 B4R0.3 O=P([O-])([O-])O D05869 [0,1,0,0,0,0|3,0,0]=4 121 B4R0.3 O=P([O-])([O-])O D06389 [0,1,0,0,0,0|3,0,0]=4 122 B4R0.3 O=S(=O)(O)O D05963 [0,1,0,0,0,0|3,0,0]=4 123 B4R0.3 O=[32P]([O-])([O-])O D05870 [0,1,0,0,0,0|3,0,0]=4 124 B4R0.3 O=[74As]([O-])(O)O D05852 [0,1,0,0,0,0|3,0,0]=4 125 B4R1.2 CC1CO1 D01941 [0,0,0,1,0,0|2,0,1]=4 126 B4R1.2 CC1CO1 D09803 [0,0,0,1,0,0|2,0,1]=4 127 B4R1.2 CC1CO1 D10680 [0,0,0,1,0,0|2,0,1]=4 128 B1R0.1 C=O D00017 [2,0,0,0,0,0|0,0,1]=3 129 B1R0.1 C=O D01494 [2,0,0,0,0,0|0,0,1]=3 130 B1R0.1 C=O D06525 [2,0,0,0,0,0|0,0,1]=3 131 B1R0.1 CO D02309 [2,0,0,0,0,0|0,0,1]=3 132 B1R0.1 Cl[82Rb] D05773 [2,0,0,0,0,0|2,0,0]=4 133 B1R0.1 Cl[86Rb] D05774 [2,0,0,0,0,0|2,0,0]=4 134 B1R0.1 II D00108 [2,0,0,0,0,0|2,0,0]=4 135 B1R0.1 N#N D00083 [2,0,0,0,0,0|0,0,2]=4 136 B1R0.1 O=O D00003 [2,0,0,0,0,0|1,0,1]=4 137 B1R0.1 O=[Ca] D01679 [2,0,0,0,0,0|1,0,1]=4 138 B1R0.1 O=[Mg] D01167 [2,0,0,0,0,0|1,0,1]=4 139 B1R0.1 O=[Zn] D01170 [2,0,0,0,0,0|1,0,1]=4 140 B1R0.1 OO D00008 [2,0,0,0,0,0|1,0,0]=3 141 B1R0.1 O[K] D01168 [2,0,0,0,0,0|1,0,0]=3 142 B1R0.1 S=[Zn] D09034 [2,0,0,0,0,0|1,1,0]=4 143 B1R0.1 [11C-]#[O+] D03398 [2,0,0,0,0,0|0,0,2]=4 144 B1R0.1 [C-]#N D05647 [2,0,0,0,0,0|0,0,2]=4 145 B1R0.1 [C-]#[O+] D09706 [2,0,0,0,0,0|0,0,2]=4 146 B1R0.1 [Li]Br D08135 [2,0,0,0,0,0|2,0,0]=4 147 B1R0.1 [Li]O D04750 [2,0,0,0,0,0|1,0,0]=3 148 B1R0.1 [N]=O D00074 [2,0,0,0,0,0|0,0,2]=4 149 B1R0.1 [Na]I D04874 [2,0,0,0,0,0|2,0,0]=4 150 B1R0.1 [Na][123I] D05328 [2,0,0,0,0,0|2,0,0]=4 151 B1R0.1 [Na][125I] D05863 [2,0,0,0,0,0|2,0,0]=4 152 B1R0.1 [Na][131I] D02259 [2,0,0,0,0,0|2,0,0]=4 153 B1R0.1 [O-]Cl D01711 [2,0,0,0,0,0|1,0,1]=4 154 B1R0.1 [O-]Cl D01727 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 NCCN D01114 [1,1,0,0,0,0|0,0,2]=4 156 B3R0.1 NCCO D05074 [1,1,0,0,0,0|0,0,1]=3 157 B3R0.1 NCCS D03634 [1,1,0,0,0,0|0,1,1]=4 158 B3R0.1 NCCS D03635 [1,1,0,0,0,0|0,1,1]=4 159 B3R0.1 O=BO[O-] D07066 [1,1,0,0,0,0|2,0,0]=4 160 B3R0.1 OCCO D03370 [1,1,0,0,0,0|1,0,1]=4 161 B3R0.1 OCCO D06418 [1,1,0,0,0,0|1,0,1]=4 162 B3R0.1 OCCO D06419 [1,1,0,0,0,0|1,0,1]=4 163 B3R0.1 OCCO D06420 [1,1,0,0,0,0|1,0,1]=4 164 B3R0.1 OCCO D06421 [1,1,0,0,0,0|1,0,1]=4 165 B3R0.1 OCCO D06422 [1,1,0,0,0,0|1,0,1]=4 166 B3R0.1 OCCO D06423 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 CCOC(C)=O D02319 [0,2,0,0,0,0|2,0,0]=4 168 B5R0.1 NCCC(=O)O D07561 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.3 O=C(CO)CO D07841 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.3 [*]CC(=O)O[*] D05557 [0,2,0,0,0,0|2,0,0]=4 171 B5R0.5 CC(O)C(=O)O D00111 [0,2,0,0,0,0|2,0,0]=4 172 B5R0.5 CC(O)C(=O)[O-] D00936 [0,2,0,0,0,0|2,0,0]=4 173 B5R0.5 CC(O)C(=O)[O-] D02183 [0,2,0,0,0,0|2,0,0]=4 174 B5R0.5 CC(O)C(=O)[O-] D02254 [0,2,0,0,0,0|2,0,0]=4 175 B5R0.5 CC(O)C(=O)[O-] D02920 [0,2,0,0,0,0|2,0,0]=4 176 B5R0.5 C[C@H](N)C(=O)O D00012 [0,2,0,0,0,0|1,0,0]=3 177 B3R1.1 C1CO1 D03474 [1,0,0,1,0,0|1,0,1]=4 178 B5R1.2 O=C1CCO1 D05630 [0,1,0,1,0,0|2,0,0]=4