0 B3R0.2 CC(=O)[O-] M21175 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)[O-] M23441 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)[S-] M27572 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(N)=O M20887 [0,0,0,0,0,0|1,0,0]=1 4 B3R0.2 CC(N)=S M28034 [0,0,0,0,0,0|1,1,0]=2 5 B3R0.2 CN(C)C M19642 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.2 CS(C)=O M15586 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 Cl[Gd](Cl)Cl M23222 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 Cl[La](Cl)Cl M27559 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 Cl[La](Cl)Cl M28738 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 N=C(N)N M14674 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.2 NC(N)=O M15084 [0,0,0,0,0,0|0,0,0]=0 12 B3R0.2 NC(N)=S M19716 [0,0,0,0,0,0|0,1,0]=1 13 B3R0.2 O=C([O-])[O-] M18580 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 O=C([O-])[O-] M21193 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 O=[N+]([O-])[O-] M19468 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.2 O[AlH3](O)O M23979 [0,0,0,0,0,0|3,0,1]=4 17 B2R0.1 CNC M20016 [1,0,0,0,0,0|3,0,0]=4 18 B2R0.1 CON M22875 [1,0,0,0,0,0|2,0,0]=3 19 B2R0.1 Cl[Co]Cl M19444 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 N#C[S-] M21391 [1,0,0,0,0,0|0,1,2]=4 21 B2R0.1 NC=O M19662 [1,0,0,0,0,0|0,0,0]=1 22 B2R0.1 O=CO M20283 [1,0,0,0,0,0|1,0,0]=2 23 B2R0.1 O=C[O-] M19984 [1,0,0,0,0,0|1,0,0]=2 24 B2R0.1 O=N[O-] M19521 [1,0,0,0,0,0|2,0,0]=3 25 B2R0.1 O=[Si]=O M11290 [1,0,0,0,0,0|1,1,0]=3 26 B2R0.1 O=[Si]=O M18046 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.1 C=CC(=O)O M19691 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 C=CC(N)=O M20290 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 CC(=O)NO M14966 [0,1,0,0,0,0|1,0,0]=2 30 B4R0.1 CCC(=O)O M19664 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 CNC(=N)N M19576 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.1 COC(N)=O M15223 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 NC(=O)CI M23607 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.1 NC(=O)NO M11135 [0,1,0,0,0,0|0,0,0]=1 35 B4R0.1 NCC(=O)O M18816 [0,1,0,0,0,0|1,0,0]=2 36 B4R0.1 NCC(=O)[O-] M18043 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.1 NCC(=O)[O-] M18204 [0,1,0,0,0,0|1,0,0]=2 38 B4R0.1 NCC(N)=O M12544 [0,1,0,0,0,0|0,0,0]=1 39 B4R0.1 NN=C(N)N M13039 [0,1,0,0,0,0|1,0,0]=2 40 B4R0.1 NNC(N)=O M15050 [0,1,0,0,0,0|0,0,0]=1 41 B4R0.1 O=C(O)CO M20606 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.1 O=C([O-])CO M16838 [0,1,0,0,0,0|2,0,0]=3 43 B4R0.1 O=C([O-])CS M22100 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 O=CC(=O)O M19632 [0,1,0,0,0,0|2,0,0]=3 45 B4R0.3 CS(C)(=O)=O M24689 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.3 O=P([O-])(O)O M27688 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.3 O=P([O-])([O-])F M10085 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.3 O=P([O-])([O-])O M21197 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.3 O=S(=O)(O)O M25051 [0,1,0,0,0,0|3,0,0]=4 50 B4R0.3 O=S(=O)([O-])[O-] M24754 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.3 O=[Mo](=O)([O-])[O-] M20054 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.3 O=[V-3](=O)(=O)=O M11533 [0,1,0,0,0,0|3,0,0]=4 53 B1R0.1 C#N M11868 [2,0,0,0,0,0|0,0,2]=4 54 B1R0.1 CN M20015 [2,0,0,0,0,0|0,0,1]=3 55 B1R0.1 NO M24781 [2,0,0,0,0,0|0,0,1]=3 56 B1R0.1 [*]N M13985 [2,0,0,0,0,0|1,0,0]=3 57 B1R0.1 [*]N M16014 [2,0,0,0,0,0|1,0,0]=3 58 B1R0.1 [*]N M16467 [2,0,0,0,0,0|1,0,0]=3 59 B1R0.1 [*]N M21596 [2,0,0,0,0,0|1,0,0]=3 60 B1R0.1 [*]N M21614 [2,0,0,0,0,0|1,0,0]=3 61 B1R0.1 [*]N M21618 [2,0,0,0,0,0|1,0,0]=3 62 B1R0.1 [*]N M22683 [2,0,0,0,0,0|1,0,0]=3 63 B1R0.1 [*]N M22701 [2,0,0,0,0,0|1,0,0]=3 64 B1R0.1 [*]N M25046 [2,0,0,0,0,0|1,0,0]=3 65 B1R0.1 [*]N M28038 [2,0,0,0,0,0|1,0,0]=3 66 B1R0.1 [*]N M28041 [2,0,0,0,0,0|1,0,0]=3 67 B1R0.1 [*]N M28042 [2,0,0,0,0,0|1,0,0]=3 68 B1R0.1 [*]N M28045 [2,0,0,0,0,0|1,0,0]=3 69 B1R0.1 [*]N M28050 [2,0,0,0,0,0|1,0,0]=3 70 B1R0.1 [*]N M28057 [2,0,0,0,0,0|1,0,0]=3 71 B1R0.1 [*]N M28061 [2,0,0,0,0,0|1,0,0]=3 72 B1R0.1 [*]N M28062 [2,0,0,0,0,0|1,0,0]=3 73 B1R0.1 [*]N M28064 [2,0,0,0,0,0|1,0,0]=3 74 B1R0.1 [*]N M28068 [2,0,0,0,0,0|1,0,0]=3 75 B1R0.1 [*]N M28072 [2,0,0,0,0,0|1,0,0]=3 76 B1R0.1 [*]N M28074 [2,0,0,0,0,0|1,0,0]=3 77 B1R0.1 [*]N M28077 [2,0,0,0,0,0|1,0,0]=3 78 B1R0.1 [*]N M28079 [2,0,0,0,0,0|1,0,0]=3 79 B1R0.1 [*]N M28082 [2,0,0,0,0,0|1,0,0]=3 80 B1R0.1 [*]N M28083 [2,0,0,0,0,0|1,0,0]=3 81 B1R0.1 [*]N M28096 [2,0,0,0,0,0|1,0,0]=3 82 B1R0.1 [*]N M28105 [2,0,0,0,0,0|1,0,0]=3 83 B1R0.1 [*]N M28108 [2,0,0,0,0,0|1,0,0]=3 84 B1R0.1 [*]N M28114 [2,0,0,0,0,0|1,0,0]=3 85 B1R0.1 [*]N M28136 [2,0,0,0,0,0|1,0,0]=3 86 B1R0.1 [*]N M28138 [2,0,0,0,0,0|1,0,0]=3 87 B1R0.1 [*]N M28143 [2,0,0,0,0,0|1,0,0]=3 88 B1R0.1 [*]N M28156 [2,0,0,0,0,0|1,0,0]=3 89 B1R0.1 [*]N M28157 [2,0,0,0,0,0|1,0,0]=3 90 B1R0.1 [*]N M28173 [2,0,0,0,0,0|1,0,0]=3 91 B1R0.1 [*]N M28176 [2,0,0,0,0,0|1,0,0]=3 92 B1R0.1 [C-]#N M17986 [2,0,0,0,0,0|0,0,2]=4 93 B1R0.1 [C-]#N M21846 [2,0,0,0,0,0|0,0,2]=4 94 B3R0.1 NCCO M19560 [1,1,0,0,0,0|0,0,2]=4 95 B3R0.1 NCCO M27552 [1,1,0,0,0,0|0,0,2]=4 96 B3R0.1 NCCS M12233 [1,1,0,0,0,0|0,1,1]=4 97 B3R0.1 NCCS M15246 [1,1,0,0,0,0|0,1,1]=4 98 B5R0.1 CCCC(=O)O M19749 [0,2,0,0,0,0|2,0,0]=4 99 B5R0.1 CCCC(=O)[O-] M12232 [0,2,0,0,0,0|2,0,0]=4 100 B5R0.1 CCOC(N)=O M14805 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.1 CCSC(=N)N M27627 [0,2,0,0,0,0|0,1,1]=4 102 B5R0.1 CNCC(=O)O M17800 [0,2,0,0,0,0|1,0,0]=3 103 B5R0.1 CONC(C)=S M11551 [0,2,0,0,0,0|1,1,0]=4 104 B5R0.1 C\C=C\C(=O)O M19987 [0,2,0,0,0,0|2,0,0]=4 105 B5R0.1 NCCC(=O)O M10320 [0,2,0,0,0,0|1,0,0]=3 106 B5R0.1 NCCS(=O)O M20061 [0,2,0,0,0,0|2,0,0]=4 107 B5R0.1 NOCC(=O)O M20571 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.3 CNC(=S)NC M28317 [0,2,0,0,0,0|0,1,0]=3 109 B5R0.3 O=C(O[Na])O[Na] M27578 [0,2,0,0,0,0|2,0,0]=4 110 B5R0.5 C=C(C)C(N)=O M29491 [0,2,0,0,0,0|1,0,0]=3 111 B5R0.5 CC(=O)C(=O)O M19559 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.5 CC(=O)C(=O)[O-] M14821 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.5 CC(=O)C(=O)[O-] M20910 [0,2,0,0,0,0|2,0,0]=4 114 B5R0.5 CC(=O)C(C)=O M19605 [0,2,0,0,0,0|2,0,0]=4 115 B5R0.5 CC(C)C(=O)O M19754 [0,2,0,0,0,0|2,0,0]=4 116 B5R0.5 CC(N)C(=O)O M18817 [0,2,0,0,0,0|1,0,0]=3 117 B5R0.5 CC(O)C(=O)[O-] M28339 [0,2,0,0,0,0|2,0,0]=4 118 B5R0.5 C[C@@H](N)C(=O)O M19597 [0,2,0,0,0,0|1,0,0]=3 119 B5R0.5 C[C@@H](O)C(=O)O M23238 [0,2,0,0,0,0|2,0,0]=4 120 B5R0.5 C[C@@H](O)C(=O)[O-] M20065 [0,2,0,0,0,0|2,0,0]=4 121 B5R0.5 C[C@H](O)C(=O)O M19665 [0,2,0,0,0,0|2,0,0]=4 122 B5R0.5 C[C@H](O)C(=O)[O-] M19197 [0,2,0,0,0,0|2,0,0]=4 123 B5R0.5 NC(=O)C(=O)[O-] M22595 [0,2,0,0,0,0|1,0,0]=3 124 B5R0.5 O=C(O)C(=O)O M18023 [0,2,0,0,0,0|2,0,0]=4 125 B5R0.5 O=C(O)C(=O)O M19862 [0,2,0,0,0,0|2,0,0]=4 126 B5R0.5 O=C([O-])C(Cl)Cl M18240 [0,2,0,0,0,0|2,0,0]=4