0 B3R0.2 CC(=O)[O-] M21175 [0,0,0,0,0,0|0,0,1]=1 1 B3R0.2 CC(=O)[O-] M23441 [0,0,0,0,0,0|0,0,1]=1 2 B3R0.2 CC(=O)[S-] M27572 [0,0,0,0,0,0|0,1,0]=1 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|3,0,0]=3 6 B3R0.2 CS(C)=O M15586 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 11 B3R0.2 NC(N)=O M15084 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 NC(N)=S M19716 [0,0,0,0,0,0|2,1,0]=3 13 B3R0.2 O=C([O-])[O-] M18580 [0,0,0,0,0,0|1,0,1]=2 14 B3R0.2 O=C([O-])[O-] M21193 [0,0,0,0,0,0|1,0,1]=2 15 B3R0.2 O=[N+]([O-])[O-] M19468 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.2 O[AlH3](O)O M23979 [0,0,0,0,0,0|2,0,1]=3 17 B2R0.1 CNC M20016 [1,0,0,0,0,0|2,0,0]=3 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|1,1,1]=4 21 B2R0.1 NC=O M19662 [1,0,0,0,0,0|1,0,0]=2 22 B2R0.1 O=CO M20283 [1,0,0,0,0,0|0,0,0]=1 23 B2R0.1 O=C[O-] M19984 [1,0,0,0,0,0|0,0,1]=2 24 B2R0.1 O=N[O-] M19521 [1,0,0,0,0,0|1,0,1]=3 25 B2R0.1 O=[Si]=O M11290 [1,0,0,0,0,0|0,1,1]=3 26 B2R0.1 O=[Si]=O M18046 [1,0,0,0,0,0|0,1,1]=3 27 B4R0.1 C=CC(=O)O M19691 [0,1,0,0,0,0|0,0,1]=2 28 B4R0.1 C=CC(N)=O M20290 [0,1,0,0,0,0|1,0,1]=3 29 B4R0.1 CC(=O)NO M14966 [0,1,0,0,0,0|0,0,0]=1 30 B4R0.1 CC(C)CO M20289 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.1 CC(O)CO M20276 [0,1,0,0,0,0|0,0,2]=3 32 B4R0.1 CCC(=O)O M19664 [0,1,0,0,0,0|0,0,0]=1 33 B4R0.1 CNC(=N)N M19576 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 COC(N)=O M15223 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 NC(=O)CI M23607 [0,1,0,0,0,0|1,0,0]=2 36 B4R0.1 NC(=O)NO M11135 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.1 NCC(=O)O M18816 [0,1,0,0,0,0|0,0,0]=1 38 B4R0.1 NCC(=O)[O-] M18043 [0,1,0,0,0,0|0,0,1]=2 39 B4R0.1 NCC(=O)[O-] M18204 [0,1,0,0,0,0|0,0,1]=2 40 B4R0.1 NCC(N)=O M12544 [0,1,0,0,0,0|1,0,0]=2 41 B4R0.1 NN=C(N)N M13039 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 NNC(N)=O M15050 [0,1,0,0,0,0|2,0,0]=3 43 B4R0.1 O=C(O)CO M20606 [0,1,0,0,0,0|0,0,0]=1 44 B4R0.1 O=C([O-])CO M16838 [0,1,0,0,0,0|0,0,1]=2 45 B4R0.1 O=C([O-])CS M22100 [0,1,0,0,0,0|0,0,1]=2 46 B4R0.1 O=CC(=O)O M19632 [0,1,0,0,0,0|0,0,1]=2 47 B4R0.3 CS(C)(=O)=O M24689 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.3 C[N+](C)(C)[O-] M20029 [0,1,0,0,0,0|2,0,1]=4 49 B4R0.3 O=P([O-])(O)O M27688 [0,1,0,0,0,0|2,0,0]=3 50 B4R0.3 O=P([O-])([O-])F M10085 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.3 O=P([O-])([O-])O M21197 [0,1,0,0,0,0|2,0,0]=3 52 B4R0.3 O=S(=O)(O)O M25051 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.3 O=S(=O)([O-])[O-] M24754 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.3 O=[Mo](=O)([O-])[O-] M20054 [0,1,0,0,0,0|2,0,1]=4 55 B4R0.3 O=[V-3](=O)(=O)=O M11533 [0,1,0,0,0,0|2,0,1]=4 56 B4R1.2 CC1CO1 M24927 [0,0,0,1,0,0|1,0,1]=3 57 B1R0.1 C#N M11868 [2,0,0,0,0,0|1,0,1]=4 58 B1R0.1 CN M20015 [2,0,0,0,0,0|1,0,0]=3 59 B1R0.1 NO M24781 [2,0,0,0,0,0|1,0,0]=3 60 B1R0.1 [*]N M13985 [2,0,0,0,0,0|2,0,0]=4 61 B1R0.1 [*]N M16014 [2,0,0,0,0,0|2,0,0]=4 62 B1R0.1 [*]N M16467 [2,0,0,0,0,0|2,0,0]=4 63 B1R0.1 [*]N M21596 [2,0,0,0,0,0|2,0,0]=4 64 B1R0.1 [*]N M21614 [2,0,0,0,0,0|2,0,0]=4 65 B1R0.1 [*]N M21618 [2,0,0,0,0,0|2,0,0]=4 66 B1R0.1 [*]N M22683 [2,0,0,0,0,0|2,0,0]=4 67 B1R0.1 [*]N M22701 [2,0,0,0,0,0|2,0,0]=4 68 B1R0.1 [*]N M25046 [2,0,0,0,0,0|2,0,0]=4 69 B1R0.1 [*]N M28038 [2,0,0,0,0,0|2,0,0]=4 70 B1R0.1 [*]N M28041 [2,0,0,0,0,0|2,0,0]=4 71 B1R0.1 [*]N M28042 [2,0,0,0,0,0|2,0,0]=4 72 B1R0.1 [*]N M28045 [2,0,0,0,0,0|2,0,0]=4 73 B1R0.1 [*]N M28050 [2,0,0,0,0,0|2,0,0]=4 74 B1R0.1 [*]N M28057 [2,0,0,0,0,0|2,0,0]=4 75 B1R0.1 [*]N M28061 [2,0,0,0,0,0|2,0,0]=4 76 B1R0.1 [*]N M28062 [2,0,0,0,0,0|2,0,0]=4 77 B1R0.1 [*]N M28064 [2,0,0,0,0,0|2,0,0]=4 78 B1R0.1 [*]N M28068 [2,0,0,0,0,0|2,0,0]=4 79 B1R0.1 [*]N M28072 [2,0,0,0,0,0|2,0,0]=4 80 B1R0.1 [*]N M28074 [2,0,0,0,0,0|2,0,0]=4 81 B1R0.1 [*]N M28077 [2,0,0,0,0,0|2,0,0]=4 82 B1R0.1 [*]N M28079 [2,0,0,0,0,0|2,0,0]=4 83 B1R0.1 [*]N M28082 [2,0,0,0,0,0|2,0,0]=4 84 B1R0.1 [*]N M28083 [2,0,0,0,0,0|2,0,0]=4 85 B1R0.1 [*]N M28096 [2,0,0,0,0,0|2,0,0]=4 86 B1R0.1 [*]N M28105 [2,0,0,0,0,0|2,0,0]=4 87 B1R0.1 [*]N M28108 [2,0,0,0,0,0|2,0,0]=4 88 B1R0.1 [*]N M28114 [2,0,0,0,0,0|2,0,0]=4 89 B1R0.1 [*]N M28136 [2,0,0,0,0,0|2,0,0]=4 90 B1R0.1 [*]N M28138 [2,0,0,0,0,0|2,0,0]=4 91 B1R0.1 [*]N M28143 [2,0,0,0,0,0|2,0,0]=4 92 B1R0.1 [*]N M28156 [2,0,0,0,0,0|2,0,0]=4 93 B1R0.1 [*]N M28157 [2,0,0,0,0,0|2,0,0]=4 94 B1R0.1 [*]N M28173 [2,0,0,0,0,0|2,0,0]=4 95 B1R0.1 [*]N M28176 [2,0,0,0,0,0|2,0,0]=4 96 B1R0.1 [C-]#N M17986 [2,0,0,0,0,0|1,0,1]=4 97 B1R0.1 [C-]#N M21846 [2,0,0,0,0,0|1,0,1]=4 98 B3R0.1 NCCO M19560 [1,1,0,0,0,0|0,0,1]=3 99 B3R0.1 NCCO M27552 [1,1,0,0,0,0|0,0,1]=3 100 B3R0.1 NCCS M12233 [1,1,0,0,0,0|0,1,1]=4 101 B3R0.1 NCCS M15246 [1,1,0,0,0,0|0,1,1]=4 102 B5R0.1 CC(C)=CCO M19629 [0,2,0,0,0,0|1,0,0]=3 103 B5R0.1 CC(C)\C=N\O M19919 [0,2,0,0,0,0|1,0,1]=4 104 B5R0.1 CCCC(=O)O M19749 [0,2,0,0,0,0|0,0,0]=2 105 B5R0.1 CCCC(=O)[O-] M12232 [0,2,0,0,0,0|0,0,1]=3 106 B5R0.1 CCOC(N)=O M14805 [0,2,0,0,0,0|1,0,0]=3 107 B5R0.1 CCSC(=N)N M27627 [0,2,0,0,0,0|2,0,0]=4 108 B5R0.1 CNCC(=O)O M17800 [0,2,0,0,0,0|0,0,0]=2 109 B5R0.1 CONC(C)=S M11551 [0,2,0,0,0,0|0,1,0]=3 110 B5R0.1 C[C@H](O)CCO M23286 [0,2,0,0,0,0|0,0,2]=4 111 B5R0.1 C\C=C\C(=O)O M19987 [0,2,0,0,0,0|0,0,0]=2 112 B5R0.1 NCCC(=O)O M10320 [0,2,0,0,0,0|0,0,0]=2 113 B5R0.1 NCCS(=O)O M20061 [0,2,0,0,0,0|1,0,0]=3 114 B5R0.1 NOCC(=O)O M20571 [0,2,0,0,0,0|0,0,0]=2 115 B5R0.3 CCC(C)C=O M19674 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.3 CNC(=S)NC M28317 [0,2,0,0,0,0|1,1,0]=4 117 B5R0.3 O=C(O[Na])O[Na] M27578 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.3 O=CC(O)CO M19681 [0,2,0,0,0,0|0,0,1]=3 119 B5R0.3 OCC(O)CO M19631 [0,2,0,0,0,0|0,0,2]=4 120 B5R0.3 OCC(S)CS M15209 [0,2,0,0,0,0|0,1,1]=4 121 B5R0.4 CCC(C)(C)O M19505 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.4 COS(=O)(=O)O M15380 [0,2,0,0,0,0|1,0,0]=3 123 B5R0.4 COS(C)(=O)=O M29006 [0,2,0,0,0,0|1,0,0]=3 124 B5R0.5 C=C(C)C(N)=O M29491 [0,2,0,0,0,0|1,0,0]=3 125 B5R0.5 CC(=O)C(=O)O M19559 [0,2,0,0,0,0|0,0,0]=2 126 B5R0.5 CC(=O)C(=O)[O-] M14821 [0,2,0,0,0,0|0,0,1]=3 127 B5R0.5 CC(=O)C(=O)[O-] M20910 [0,2,0,0,0,0|0,0,1]=3 128 B5R0.5 CC(=O)C(C)=O M19605 [0,2,0,0,0,0|0,0,1]=3 129 B5R0.5 CC(C)C(=O)O M19754 [0,2,0,0,0,0|0,0,0]=2 130 B5R0.5 CC(N)C(=O)O M18817 [0,2,0,0,0,0|0,0,0]=2 131 B5R0.5 CC(O)C(=O)[O-] M28339 [0,2,0,0,0,0|0,0,1]=3 132 B5R0.5 CC(O)C(C)O M27050 [0,2,0,0,0,0|0,0,2]=4 133 B5R0.5 C[C@@H](N)C(=O)O M19597 [0,2,0,0,0,0|0,0,0]=2 134 B5R0.5 C[C@@H](O)C(=O)O M23238 [0,2,0,0,0,0|0,0,0]=2 135 B5R0.5 C[C@@H](O)C(=O)[O-] M20065 [0,2,0,0,0,0|0,0,1]=3 136 B5R0.5 C[C@@H](O)[C@@H](C)O M19583 [0,2,0,0,0,0|0,0,2]=4 137 B5R0.5 C[C@H](O)C(=O)O M19665 [0,2,0,0,0,0|0,0,0]=2 138 B5R0.5 C[C@H](O)C(=O)[O-] M19197 [0,2,0,0,0,0|0,0,1]=3 139 B5R0.5 NC(=O)C(=O)[O-] M22595 [0,2,0,0,0,0|0,0,2]=4 140 B5R0.5 O=C(O)C(=O)O M18023 [0,2,0,0,0,0|0,0,1]=3 141 B5R0.5 O=C(O)C(=O)O M19862 [0,2,0,0,0,0|0,0,1]=3 142 B5R0.5 O=C([O-])C(Cl)Cl M18240 [0,2,0,0,0,0|0,0,1]=3 143 B5R1.3 ClCC1CO1 M12141 [0,1,0,1,0,0|1,0,1]=4 144 B5R1.3 ClCC1CO1 M19169 [0,1,0,1,0,0|1,0,1]=4