0 B4R0.1 C#CC(=O)N CHEBI:51764 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(=O)O CHEBI:33199 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#CC(=O)[O-] CHEBI:15364 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C(=C(Cl)Cl)Cl CHEBI:16602 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C(=N)(N)NN CHEBI:40618 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 C(=N)(N)NO CHEBI:43089 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 C(=N)C(=O)O CHEBI:53647 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C(=N)C(=O)[O-] CHEBI:53664 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 C(=O)(N)NN CHEBI:28306 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 C(=O)(N)NO CHEBI:44423 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C(=O)(NN)O CHEBI:38662 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C(=O)C(=O)N CHEBI:59839 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C(=O)C(=O)O CHEBI:16891 [0,0,0,0,0,0|3,0,0]=3 13 B4R0.1 C(=O)C(=O)[O-] CHEBI:36655 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 C(=O)C(=O)[O-] CHEBI:91251 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 C(=[NH2+])C(=O)[O-] CHEBI:77846 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 C(C(=O)N)F CHEBI:53124 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 C(C(=O)N)N CHEBI:42843 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 C(C(=O)N)O CHEBI:30321 [0,0,0,0,0,0|3,0,0]=3 19 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 C(C(=O)O)F CHEBI:30775 [0,0,0,0,0,0|3,0,0]=3 21 B4R0.1 C(C(=O)O)I CHEBI:74571 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.1 C(C(=O)O)N CHEBI:15428 [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 C(C(=O)O)O CHEBI:17497 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 C(C(=O)O)S CHEBI:30065 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 C(C(=O)S)N CHEBI:46799 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [0,0,0,0,0,0|3,0,0]=3 28 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [0,0,0,0,0,0|3,0,0]=3 30 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [0,0,0,0,0,0|3,0,0]=3 36 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [0,0,0,0,0,0|3,0,0]=3 37 B4R0.1 C=C(CO)Br CHEBI:49514 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 C=CC(=C)Cl CHEBI:39481 [0,0,0,0,0,0|2,0,2]=4 39 B4R0.1 C=CC(=O)N CHEBI:28619 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 C=CC(=O)O CHEBI:18308 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 C=CC(=O)[O-] CHEBI:37080 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 C=C[N+](=O)[O-] CHEBI:51131 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 CC(=C)C=C CHEBI:35194 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 CC(=NO)C CHEBI:15349 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 CC(=O)C#C CHEBI:48060 [0,0,0,0,0,0|1,0,1]=2 46 B4R0.1 CC(=O)C=C CHEBI:48058 [0,0,0,0,0,0|1,0,1]=2 47 B4R0.1 CC(=O)C=O CHEBI:17158 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.1 CC(=O)CBr CHEBI:51845 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.1 CC(=O)CCl CHEBI:47220 [0,0,0,0,0,0|2,0,0]=2 50 B4R0.1 CC(=O)CN CHEBI:17906 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.1 CC(=O)CO CHEBI:27957 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 CC(=O)NC CHEBI:87321 [0,0,0,0,0,0|1,0,0]=1 54 B4R0.1 CC(=O)NN CHEBI:2422 [0,0,0,0,0,0|2,0,0]=2 55 B4R0.1 CC(=O)NO CHEBI:27777 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.1 CC(=O)OC CHEBI:77700 [0,0,0,0,0,0|0,0,0]=0 57 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [0,0,0,0,0,0|1,0,0]=1 58 B4R0.1 CC(=O)SC CHEBI:51280 [0,0,0,0,0,0|0,1,0]=1 59 B4R0.1 CC(=S)OC CHEBI:51281 [0,0,0,0,0,0|0,1,0]=1 60 B4R0.1 CC(C#N)N CHEBI:27959 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 CC(C)C#C CHEBI:87379 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 CC(C)C=C CHEBI:77914 [0,0,0,0,0,0|2,0,2]=4 63 B4R0.1 CC(C)C=O CHEBI:48943 [0,0,0,0,0,0|3,0,1]=4 64 B4R0.1 CC(C)CN CHEBI:15997 [0,0,0,0,0,0|3,0,1]=4 65 B4R0.1 CC(C)CO CHEBI:46645 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.1 CC(C)OC CHEBI:53505 [0,0,0,0,0,0|1,0,1]=2 68 B4R0.1 CC(C=O)O CHEBI:18419 [0,0,0,0,0,0|2,0,2]=4 69 B4R0.1 CC(CCl)O CHEBI:76260 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 CC(CN)N CHEBI:30630 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 CC(CN)O CHEBI:19030 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.1 CC(CO)O CHEBI:16997 [0,0,0,0,0,0|2,0,2]=4 73 B4R0.1 CC=C(C)C CHEBI:77916 [0,0,0,0,0,0|2,0,0]=2 74 B4R0.1 CC=[N+]([O-])[O-] CHEBI:55327 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 CCC(=C)C CHEBI:77915 [0,0,0,0,0,0|2,0,0]=2 76 B4R0.1 CCC(=O)C CHEBI:28398 [0,0,0,0,0,0|1,0,0]=1 77 B4R0.1 CCC(=O)N CHEBI:45422 [0,0,0,0,0,0|2,0,0]=2 78 B4R0.1 CCC(=O)O CHEBI:30768 [0,0,0,0,0,0|2,0,0]=2 79 B4R0.1 CCC(=O)[O-] CHEBI:132106 [0,0,0,0,0,0|2,0,0]=2 80 B4R0.1 CCC(=O)[O-] CHEBI:17272 [0,0,0,0,0,0|2,0,0]=2 81 B4R0.1 CCC(=O)[O-] CHEBI:63884 [0,0,0,0,0,0|2,0,0]=2 82 B4R0.1 CCC(=S)C CHEBI:36581 [0,0,0,0,0,0|1,1,0]=2 83 B4R0.1 CCC(C)C CHEBI:30362 [0,0,0,0,0,0|2,0,1]=3 84 B4R0.1 CCC(C)N CHEBI:74526 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 CCC(C)O CHEBI:35687 [0,0,0,0,0,0|1,0,2]=3 86 B4R0.1 CC[C@@H](C)O CHEBI:35686 [0,0,0,0,0,0|1,0,2]=3 87 B4R0.1 CC[C@H](C)O CHEBI:45475 [0,0,0,0,0,0|1,0,2]=3 88 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 CN(C)C=O CHEBI:17741 [0,0,0,0,0,0|4,0,0]=4 90 B4R0.1 CN(C)N=O CHEBI:35807 [0,0,0,0,0,0|4,0,0]=4 91 B4R0.1 CNC(=N)N CHEBI:16628 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 CNC(=O)N CHEBI:44383 [0,0,0,0,0,0|2,0,0]=2 93 B4R0.1 CNC(=O)O CHEBI:45379 [0,0,0,0,0,0|2,0,0]=2 94 B4R0.1 CNC(=[NH2+])N CHEBI:57840 [0,0,0,0,0,0|3,0,0]=3 95 B4R0.1 COC(=O)N CHEBI:76606 [0,0,0,0,0,0|1,0,0]=1 96 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [0,0,0,0,0,0|3,0,1]=4 97 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 C[C@@H](CO)N CHEBI:78502 [0,0,0,0,0,0|3,0,1]=4 99 B4R0.1 C[C@@H](CO)O CHEBI:29002 [0,0,0,0,0,0|2,0,2]=4 100 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [0,0,0,0,0,0|3,0,1]=4 101 B4R0.1 C[C@H](C#N)N CHEBI:50618 [0,0,0,0,0,0|3,0,1]=4 102 B4R0.1 C[C@H](C=O)O CHEBI:17167 [0,0,0,0,0,0|2,0,2]=4 103 B4R0.1 C[C@H](CN)O CHEBI:15675 [0,0,0,0,0,0|2,0,2]=4 104 B4R0.1 C[C@H](CO)O CHEBI:28972 [0,0,0,0,0,0|2,0,2]=4 105 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [0,0,0,0,0,0|2,0,2]=4 106 B4R0.1 C\C(=N/O)\O CHEBI:49029 [0,0,0,0,0,0|2,0,1]=3 107 B4R0.1 C\C(=N\N)\O CHEBI:48978 [0,0,0,0,0,0|2,0,1]=3 108 B4R0.1 C\C=[N+](\O)/[O-] CHEBI:77894 [0,0,0,0,0,0|3,0,1]=4 109 B4R0.1 N(=O)(=O)OO CHEBI:29271 [0,0,0,0,0,0|3,0,0]=3 110 B4R0.1 N(=O)(=O)O[O-] CHEBI:29270 [0,0,0,0,0,0|3,0,0]=3 111 B4R0.1 N(=O)[N+](=O)[O-] CHEBI:29799 [0,0,0,0,0,0|4,0,0]=4 112 B4R0.1 [*](C(=O)[O-])O CHEBI:131871 [0,0,0,0,0,0|3,0,0]=3 113 B4R0.1 [*]C(=C=O)[*] CHEBI:48002 [0,0,0,0,0,0|4,0,0]=4 114 B4R0.1 [*]C(=O)CO CHEBI:52501 [0,0,0,0,0,0|3,0,0]=3 115 B4R0.1 [*]C(=O)O[*] CHEBI:33308 [0,0,0,0,0,0|2,0,0]=2 116 B4R0.1 [*]C(=O)O[*] CHEBI:78553 [0,0,0,0,0,0|2,0,0]=2 117 B4R0.1 [*]C(=O)O[*] CHEBI:78555 [0,0,0,0,0,0|2,0,0]=2 118 B4R0.1 [*]C(=O)O[*] CHEBI:78557 [0,0,0,0,0,0|2,0,0]=2 119 B4R0.1 [*]C(=O)O[*] CHEBI:78558 [0,0,0,0,0,0|2,0,0]=2 120 B4R0.1 [*]C(=O)O[*] CHEBI:78560 [0,0,0,0,0,0|2,0,0]=2 121 B4R0.1 [*]C(=O)O[*] CHEBI:78561 [0,0,0,0,0,0|2,0,0]=2 122 B4R0.1 [*]C(=O)O[*] CHEBI:78562 [0,0,0,0,0,0|2,0,0]=2 123 B4R0.1 [*]C(=O)O[*] CHEBI:78563 [0,0,0,0,0,0|2,0,0]=2 124 B4R0.1 [*]C(=O)S[*] CHEBI:51277 [0,0,0,0,0,0|2,1,0]=3 125 B4R0.1 [*]C(=S)O[*] CHEBI:51278 [0,0,0,0,0,0|2,1,0]=3 126 B4R0.1 [*]C(=S)S[*] CHEBI:59785 [0,0,0,0,0,0|2,2,0]=4 127 B4R0.1 [*]SC(=O)C CHEBI:17093 [0,0,0,0,0,0|1,1,0]=2 128 B4R0.1 [*]\C(=N\O)\[*] CHEBI:24983 [0,0,0,0,0,0|4,0,0]=4 129 B4R0.1 [*]\C(=N\O)\[*] CHEBI:25750 [0,0,0,0,0,0|4,0,0]=4 130 B4R0.1 [*]\C(=N\[*])\[*] CHEBI:24783 [0,0,0,0,0,0|4,0,0]=4 131 B4R0.1 [CH](C(=O)O)N CHEBI:32721 [0,0,0,0,0,0|3,0,0]=3 132 B3R0.1 C#CC=O CHEBI:27976 [1,0,0,0,0,0|1,0,1]=3 133 B3R0.1 C(#N)O[K] CHEBI:38904 [1,0,0,0,0,0|2,0,1]=4 134 B3R0.1 C(#N)O[Na] CHEBI:38906 [1,0,0,0,0,0|2,0,1]=4 135 B3R0.1 C(=C/Cl)/Cl CHEBI:28805 [1,0,0,0,0,0|3,0,0]=4 136 B3R0.1 C(=C/O)/O CHEBI:131198 [1,0,0,0,0,0|2,0,1]=4 137 B3R0.1 C(=C\Cl)/Cl CHEBI:18882 [1,0,0,0,0,0|3,0,0]=4 138 B3R0.1 C(=C\Cl)/Cl CHEBI:29027 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.1 C(=O)C=O CHEBI:34779 [1,0,0,0,0,0|2,0,0]=3 140 B3R0.1 C(C=O)Cl CHEBI:27871 [1,0,0,0,0,0|2,0,0]=3 141 B3R0.1 C(C=O)F CHEBI:14272 [1,0,0,0,0,0|2,0,0]=3 142 B3R0.1 C(C=O)N CHEBI:17628 [1,0,0,0,0,0|2,0,0]=3 143 B3R0.1 C(C=O)O CHEBI:17071 [1,0,0,0,0,0|2,0,0]=3 144 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [1,0,0,0,0,0|2,0,0]=3 145 B3R0.1 C=CC#C CHEBI:48088 [1,0,0,0,0,0|1,0,2]=4 146 B3R0.1 C=CC#N CHEBI:28217 [1,0,0,0,0,0|2,0,1]=4 147 B3R0.1 C=CC=C CHEBI:39478 [1,0,0,0,0,0|1,0,2]=4 148 B3R0.1 C=CC=O CHEBI:15368 [1,0,0,0,0,0|1,0,1]=3 149 B3R0.1 C=CC=S CHEBI:59787 [1,0,0,0,0,0|1,1,1]=4 150 B3R0.1 C=CCO CHEBI:16605 [1,0,0,0,0,0|2,0,1]=4 151 B3R0.1 CC#N=S CHEBI:47842 [1,0,0,0,0,0|2,0,1]=4 152 B3R0.1 CC#[N+][O-] CHEBI:47841 [1,0,0,0,0,0|2,0,1]=4 153 B3R0.1 CC=C=C CHEBI:39480 [1,0,0,0,0,0|1,0,1]=3 154 B3R0.1 CC=[N+]=[N-] CHEBI:87492 [1,0,0,0,0,0|2,0,0]=3 155 B3R0.1 CCC#C CHEBI:48087 [1,0,0,0,0,0|1,0,2]=4 156 B3R0.1 CCC#N CHEBI:26307 [1,0,0,0,0,0|2,0,1]=4 157 B3R0.1 CCC=C CHEBI:48362 [1,0,0,0,0,0|1,0,1]=3 158 B3R0.1 CCC=O CHEBI:17153 [1,0,0,0,0,0|1,0,0]=2 159 B3R0.1 CCCBr CHEBI:47105 [1,0,0,0,0,0|2,0,1]=4 160 B3R0.1 CCCC CHEBI:37808 [1,0,0,0,0,0|1,0,1]=3 161 B3R0.1 CCCN CHEBI:39870 [1,0,0,0,0,0|2,0,1]=4 162 B3R0.1 CCCO CHEBI:28831 [1,0,0,0,0,0|1,0,2]=4 163 B3R0.1 CCCP CHEBI:35891 [1,0,0,0,0,0|2,0,1]=4 164 B3R0.1 CCCS CHEBI:8473 [1,0,0,0,0,0|1,1,1]=4 165 B3R0.1 CCC[NH3+] CHEBI:566825 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.1 CCN=O CHEBI:50722 [1,0,0,0,0,0|2,0,0]=3 167 B3R0.1 CCOC CHEBI:39832 [1,0,0,0,0,0|0,0,1]=2 168 B3R0.1 CC[Mg]Cl CHEBI:51239 [1,0,0,0,0,0|2,0,1]=4 169 B3R0.1 CN=C=O CHEBI:59059 [1,0,0,0,0,0|1,0,1]=3 170 B3R0.1 CN=C=S CHEBI:78337 [1,0,0,0,0,0|1,1,1]=4 171 B3R0.1 CNC=O CHEBI:7438 [1,0,0,0,0,0|1,0,0]=2 172 B3R0.1 CNNC CHEBI:73755 [1,0,0,0,0,0|2,0,0]=3 173 B3R0.1 CNNC CHEBI:73759 [1,0,0,0,0,0|2,0,0]=3 174 B3R0.1 COC#N CHEBI:38907 [1,0,0,0,0,0|1,0,1]=3 175 B3R0.1 COC=O CHEBI:77699 [1,0,0,0,0,0|0,0,0]=1 176 B3R0.1 COCO CHEBI:46791 [1,0,0,0,0,0|0,0,2]=3 177 B3R0.1 COOC CHEBI:35928 [1,0,0,0,0,0|1,0,0]=2 178 B3R0.1 CSC#N CHEBI:61112 [1,0,0,0,0,0|1,1,1]=4 179 B3R0.1 CSSC CHEBI:4608 [1,0,0,0,0,0|1,1,0]=3 180 B3R0.1 C[NH2+][NH2+]C CHEBI:73760 [1,0,0,0,0,0|2,0,0]=3 181 B3R0.1 C[Te][Te]C CHEBI:68648 [1,0,0,0,0,0|1,1,0]=3 182 B3R0.1 C\C=C/C CHEBI:48366 [1,0,0,0,0,0|1,0,0]=2 183 B3R0.1 C\C=C\C CHEBI:48363 [1,0,0,0,0,0|1,0,0]=2 184 B3R0.1 C\C=C\C CHEBI:48365 [1,0,0,0,0,0|1,0,0]=2 185 B3R0.1 C\C=C\S CHEBI:59723 [1,0,0,0,0,0|1,1,0]=3 186 B3R0.1 C\C=N/N CHEBI:38538 [1,0,0,0,0,0|2,0,0]=3 187 B3R0.1 C\C=N/O CHEBI:50719 [1,0,0,0,0,0|2,0,0]=3 188 B3R0.1 C\C=N\N CHEBI:38535 [1,0,0,0,0,0|2,0,0]=3 189 B3R0.1 C\C=N\N CHEBI:38536 [1,0,0,0,0,0|2,0,0]=3 190 B3R0.1 C\C=N\O CHEBI:28465 [1,0,0,0,0,0|2,0,0]=3 191 B3R0.1 C\C=N\O CHEBI:50718 [1,0,0,0,0,0|2,0,0]=3 192 B3R0.1 N(=O)N=O CHEBI:29797 [1,0,0,0,0,0|3,0,0]=4 193 B3R0.1 N(=O)OO CHEBI:25942 [1,0,0,0,0,0|2,0,0]=3 194 B3R0.1 N(=O)O[O-] CHEBI:25941 [1,0,0,0,0,0|2,0,0]=3 195 B3R0.1 N(=O)O[O] CHEBI:29330 [1,0,0,0,0,0|2,0,0]=3 196 B3R0.1 O(OCl)Cl CHEBI:35927 [1,0,0,0,0,0|3,0,0]=4 197 B3R0.1 O(OF)F CHEBI:47866 [1,0,0,0,0,0|3,0,0]=4 198 B3R0.1 O(O[S-])[S-] CHEBI:29391 [1,0,0,0,0,0|2,1,0]=4 199 B3R0.1 O=ClOCl CHEBI:52354 [1,0,0,0,0,0|2,0,0]=3 200 B3R0.1 [*]\C=N/O CHEBI:22307 [1,0,0,0,0,0|3,0,0]=4 201 B3R0.1 [*]\C=N\[*] CHEBI:33271 [1,0,0,0,0,0|3,0,0]=4 202 B3R0.1 [C](=O)OO CHEBI:29790 [1,0,0,0,0,0|1,0,1]=3 203 B3R0.1 [C](=O)O[O-] CHEBI:29788 [1,0,0,0,0,0|1,0,1]=3 204 B3R0.1 [Li]C#CC CHEBI:51473 [1,0,0,0,0,0|2,0,1]=4 205 B3R0.1 [N](N=O)[O-] CHEBI:29798 [1,0,0,0,0,0|3,0,0]=4 206 B3R0.2 B(C)(C)O CHEBI:38276 [1,0,0,0,0,0|1,0,1]=3 207 B3R0.2 B(O)(O)O CHEBI:33118 [1,0,0,0,0,0|2,0,1]=4 208 B3R0.2 B(O)(O)[O-] CHEBI:29254 [1,0,0,0,0,0|2,0,1]=4 209 B3R0.2 B(O)([O-])[O-] CHEBI:29255 [1,0,0,0,0,0|2,0,1]=4 210 B3R0.2 C(=N)(N)N CHEBI:42820 [1,0,0,0,0,0|3,0,0]=4 211 B3R0.2 C(=N)(N)O CHEBI:48376 [1,0,0,0,0,0|2,0,0]=3 212 B3R0.2 C(=O)(Cl)Cl CHEBI:29365 [1,0,0,0,0,0|2,0,0]=3 213 B3R0.2 C(=O)(N)N CHEBI:16199 [1,0,0,0,0,0|2,0,0]=3 214 B3R0.2 C(=O)(N)N CHEBI:75178 [1,0,0,0,0,0|2,0,0]=3 215 B3R0.2 C(=O)(N)O CHEBI:28616 [1,0,0,0,0,0|1,0,0]=2 216 B3R0.2 C(=O)(N)[O-] CHEBI:13941 [1,0,0,0,0,0|1,0,1]=3 217 B3R0.2 C(=O)(O)O CHEBI:28976 [1,0,0,0,0,0|1,0,0]=2 218 B3R0.2 C(=O)(O)S CHEBI:36959 [1,0,0,0,0,0|1,0,0]=2 219 B3R0.2 C(=O)(O)[O-] CHEBI:17544 [1,0,0,0,0,0|1,0,0]=2 220 B3R0.2 C(=O)(O)[O-] CHEBI:32139 [1,0,0,0,0,0|1,0,0]=2 221 B3R0.2 C(=O)(O)[O-] CHEBI:81862 [1,0,0,0,0,0|1,0,0]=2 222 B3R0.2 C(=O)(O)[O] CHEBI:29789 [1,0,0,0,0,0|1,0,0]=2 223 B3R0.2 C(=O)(S)S CHEBI:36966 [1,0,0,0,0,0|1,1,0]=3 224 B3R0.2 C(=O)([O-])[O-] CHEBI:131526 [1,0,0,0,0,0|1,0,1]=3 225 B3R0.2 C(=O)([O-])[O-] CHEBI:29377 [1,0,0,0,0,0|1,0,1]=3 226 B3R0.2 C(=O)([O-])[O-] CHEBI:31793 [1,0,0,0,0,0|1,0,1]=3 227 B3R0.2 C(=O)([O-])[O-] CHEBI:3311 [1,0,0,0,0,0|1,0,1]=3 228 B3R0.2 C(=O)([O-])[O-] CHEBI:41609 [1,0,0,0,0,0|1,0,1]=3 229 B3R0.2 C(=O)([O-])[O-] CHEBI:6504 [1,0,0,0,0,0|1,0,1]=3 230 B3R0.2 C(=O)([O-])[O-] CHEBI:86235 [1,0,0,0,0,0|1,0,1]=3 231 B3R0.2 C(=O)([O-])[O] CHEBI:29376 [1,0,0,0,0,0|1,0,1]=3 232 B3R0.2 C(=S)(Cl)Cl CHEBI:29366 [1,0,0,0,0,0|2,1,0]=4 233 B3R0.2 C(=S)(N)N CHEBI:36946 [1,0,0,0,0,0|2,1,0]=4 234 B3R0.2 C(=S)(O)O CHEBI:36958 [1,0,0,0,0,0|1,0,1]=3 235 B3R0.2 C(=S)(O)S CHEBI:36965 [1,0,0,0,0,0|1,1,0]=3 236 B3R0.2 C(=S)(S)S CHEBI:36967 [1,0,0,0,0,0|1,2,0]=4 237 B3R0.2 C(=S)(S)[S-] CHEBI:50556 [1,0,0,0,0,0|1,2,0]=4 238 B3R0.2 C(=S)([S-])[S-] CHEBI:30258 [1,0,0,0,0,0|1,2,0]=4 239 B3R0.2 C(=[NH2+])(N)N CHEBI:30087 [1,0,0,0,0,0|3,0,0]=4 240 B3R0.2 C(=[NH2+])(N)N CHEBI:32735 [1,0,0,0,0,0|3,0,0]=4 241 B3R0.2 C(=[Se])(N)N CHEBI:36957 [1,0,0,0,0,0|2,1,0]=4 242 B3R0.2 C(=[Se])([SeH])[SeH] CHEBI:36968 [1,0,0,0,0,0|1,2,0]=4 243 B3R0.2 C=C(Cl)Cl CHEBI:34031 [1,0,0,0,0,0|2,0,1]=4 244 B3R0.2 CC(=C)C CHEBI:43907 [1,0,0,0,0,0|1,0,0]=2 245 B3R0.2 CC(=N)N CHEBI:38478 [1,0,0,0,0,0|2,0,0]=3 246 B3R0.2 CC(=N)O CHEBI:49028 [1,0,0,0,0,0|1,0,0]=2 247 B3R0.2 CC(=O)C CHEBI:15347 [1,0,0,0,0,0|0,0,0]=1 248 B3R0.2 CC(=O)Cl CHEBI:37580 [1,0,0,0,0,0|1,0,0]=2 249 B3R0.2 CC(=O)N CHEBI:27856 [1,0,0,0,0,0|1,0,0]=2 250 B3R0.2 CC(=O)O CHEBI:132481 [1,0,0,0,0,0|0,0,0]=1 251 B3R0.2 CC(=O)O CHEBI:15366 [1,0,0,0,0,0|0,0,0]=1 252 B3R0.2 CC(=O)S CHEBI:16555 [1,0,0,0,0,0|0,1,0]=2 253 B3R0.2 CC(=O)[O-] CHEBI:30089 [1,0,0,0,0,0|0,0,1]=2 254 B3R0.2 CC(=O)[O-] CHEBI:32029 [1,0,0,0,0,0|0,0,1]=2 255 B3R0.2 CC(=O)[O-] CHEBI:32138 [1,0,0,0,0,0|0,0,1]=2 256 B3R0.2 CC(=O)[O-] CHEBI:32954 [1,0,0,0,0,0|0,0,1]=2 257 B3R0.2 CC(=O)[O-] CHEBI:3310 [1,0,0,0,0,0|0,0,1]=2 258 B3R0.2 CC(=O)[O-] CHEBI:59199 [1,0,0,0,0,0|0,0,1]=2 259 B3R0.2 CC(=O)[O-] CHEBI:62947 [1,0,0,0,0,0|0,0,1]=2 260 B3R0.2 CC(=O)[O-] CHEBI:62964 [1,0,0,0,0,0|0,0,1]=2 261 B3R0.2 CC(=O)[O-] CHEBI:62984 [1,0,0,0,0,0|0,0,1]=2 262 B3R0.2 CC(=O)[O-] CHEBI:63045 [1,0,0,0,0,0|0,0,1]=2 263 B3R0.2 CC(=O)[O-] CHEBI:63078 [1,0,0,0,0,0|0,0,1]=2 264 B3R0.2 CC(=O)[O-] CHEBI:63879 [1,0,0,0,0,0|0,0,1]=2 265 B3R0.2 CC(=O)[O-] CHEBI:75192 [1,0,0,0,0,0|0,0,1]=2 266 B3R0.2 CC(=O)[O-] CHEBI:85138 [1,0,0,0,0,0|0,0,1]=2 267 B3R0.2 CC(=O)[S-] CHEBI:30320 [1,0,0,0,0,0|0,1,0]=2 268 B3R0.2 CC(=S)C CHEBI:36580 [1,0,0,0,0,0|0,1,0]=2 269 B3R0.2 CC(=S)N CHEBI:32497 [1,0,0,0,0,0|1,1,0]=3 270 B3R0.2 CC(=S)O CHEBI:46800 [1,0,0,0,0,0|0,1,0]=2 271 B3R0.2 CC(C)C CHEBI:30363 [1,0,0,0,0,0|1,0,1]=3 272 B3R0.2 CC(C)N CHEBI:15739 [1,0,0,0,0,0|1,0,1]=3 273 B3R0.2 CC(C)O CHEBI:17824 [1,0,0,0,0,0|0,0,2]=3 274 B3R0.2 CC(C)S CHEBI:8474 [1,0,0,0,0,0|0,1,1]=3 275 B3R0.2 CC(C)[NH3+] CHEBI:57492 [1,0,0,0,0,0|1,0,1]=3 276 B3R0.2 CN(C)C CHEBI:18139 [1,0,0,0,0,0|2,0,0]=3 277 B3R0.2 CN(C)C CHEBI:64700 [1,0,0,0,0,0|2,0,0]=3 278 B3R0.2 CN(C)N CHEBI:18853 [1,0,0,0,0,0|2,0,0]=3 279 B3R0.2 CP(C)C CHEBI:35890 [1,0,0,0,0,0|2,0,0]=3 280 B3R0.2 CS(=O)C CHEBI:28262 [1,0,0,0,0,0|1,0,0]=2 281 B3R0.2 CS(=O)O CHEBI:133897 [1,0,0,0,0,0|1,0,0]=2 282 B3R0.2 CS(=O)[O-] CHEBI:133603 [1,0,0,0,0,0|1,0,1]=3 283 B3R0.2 C[As](C)C CHEBI:27130 [1,0,0,0,0,0|2,0,0]=3 284 B3R0.2 C[As](C)O CHEBI:23808 [1,0,0,0,0,0|1,0,1]=3 285 B3R0.2 C[As](O)O CHEBI:17826 [1,0,0,0,0,0|1,0,1]=3 286 B3R0.2 C[As]([O-])[O-] CHEBI:14597 [1,0,0,0,0,0|1,0,2]=4 287 B3R0.2 C[N+](=O)[O-] CHEBI:77701 [1,0,0,0,0,0|1,0,1]=3 288 B3R0.2 C[NH+](C)C CHEBI:58389 [1,0,0,0,0,0|2,0,0]=3 289 B3R0.2 C[S+](C)C CHEBI:17434 [1,0,0,0,0,0|2,0,0]=3 290 B3R0.2 C[Se+](C)C CHEBI:77058 [1,0,0,0,0,0|2,0,0]=3 291 B3R0.2 C[Se](=O)O CHEBI:77012 [1,0,0,0,0,0|1,0,0]=2 292 B3R0.2 C[SnH](C)C CHEBI:63948 [1,0,0,0,0,0|2,0,0]=3 293 B3R0.2 N(=O)(=O)[O-] CHEBI:32130 [1,0,0,0,0,0|2,0,1]=4 294 B3R0.2 NP(O)O CHEBI:59748 [1,0,0,0,0,0|2,0,1]=4 295 B3R0.2 NS(=N)O CHEBI:51964 [1,0,0,0,0,0|3,0,0]=4 296 B3R0.2 N[N+](=O)[O-] CHEBI:29273 [1,0,0,0,0,0|2,0,1]=4 297 B3R0.2 O=Br(=O)[O] CHEBI:29887 [1,0,0,0,0,0|2,0,1]=4 298 B3R0.2 O=Cl(=O)[O] CHEBI:29416 [1,0,0,0,0,0|2,0,1]=4 299 B3R0.2 O=I(=O)[O] CHEBI:29906 [1,0,0,0,0,0|2,0,1]=4 300 B3R0.2 O=S(=O)=O CHEBI:29384 [1,0,0,0,0,0|2,0,1]=4 301 B3R0.2 O=S(Cl)Cl CHEBI:29290 [1,0,0,0,0,0|3,0,0]=4 302 B3R0.2 O=[Br+](=O)=O CHEBI:29886 [1,0,0,0,0,0|2,0,1]=4 303 B3R0.2 O=[Cl+](=O)=O CHEBI:29417 [1,0,0,0,0,0|2,0,1]=4 304 B3R0.2 O=[Cr](=O)=O CHEBI:48240 [1,0,0,0,0,0|2,0,1]=4 305 B3R0.2 O=[I+](=O)=O CHEBI:29907 [1,0,0,0,0,0|2,0,1]=4 306 B3R0.2 O=[Mo](=O)=O CHEBI:30627 [1,0,0,0,0,0|2,0,1]=4 307 B3R0.2 O=[Mo](=O)S CHEBI:47566 [1,0,0,0,0,0|2,0,1]=4 308 B3R0.2 O=[Zr](Cl)Cl CHEBI:53479 [1,0,0,0,0,0|3,0,0]=4 309 B3R0.2 OBr(=O)=O CHEBI:49382 [1,0,0,0,0,0|2,0,0]=3 310 B3R0.2 OCl(=O)=O CHEBI:17322 [1,0,0,0,0,0|2,0,0]=3 311 B3R0.2 OI(=O)=O CHEBI:24857 [1,0,0,0,0,0|2,0,0]=3 312 B3R0.2 OP(=O)O CHEBI:44976 [1,0,0,0,0,0|2,0,0]=3 313 B3R0.2 OP(=O)[O-] CHEBI:33462 [1,0,0,0,0,0|2,0,0]=3 314 B3R0.2 OP(=S)O CHEBI:50151 [1,0,0,0,0,0|2,0,1]=4 315 B3R0.2 OP(O)O CHEBI:36361 [1,0,0,0,0,0|2,0,1]=4 316 B3R0.2 OP(O)[O-] CHEBI:29258 [1,0,0,0,0,0|2,0,1]=4 317 B3R0.2 OP([O-])[O-] CHEBI:29259 [1,0,0,0,0,0|2,0,1]=4 318 B3R0.2 OP([O-])[O] CHEBI:29927 [1,0,0,0,0,0|2,0,1]=4 319 B3R0.2 OS(=O)=O CHEBI:29214 [1,0,0,0,0,0|2,0,0]=3 320 B3R0.2 OS(=O)O CHEBI:48854 [1,0,0,0,0,0|2,0,0]=3 321 B3R0.2 OS(=O)S CHEBI:35926 [1,0,0,0,0,0|2,0,0]=3 322 B3R0.2 OS(=O)[O-] CHEBI:17137 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.2 OS(=O)[O-] CHEBI:26709 [1,0,0,0,0,0|2,0,0]=3 324 B3R0.2 OS(=O)[S-] CHEBI:35945 [1,0,0,0,0,0|2,0,0]=3 325 B3R0.2 OS(=S)O CHEBI:50152 [1,0,0,0,0,0|2,0,1]=4 326 B3R0.2 O[Al](O)O CHEBI:33130 [1,0,0,0,0,0|2,0,1]=4 327 B3R0.2 O[AsH](=O)O CHEBI:29850 [1,0,0,0,0,0|2,0,0]=3 328 B3R0.2 O[AsH](=O)[O-] CHEBI:64448 [1,0,0,0,0,0|2,0,0]=3 329 B3R0.2 O[As](O)O CHEBI:49900 [1,0,0,0,0,0|2,0,1]=4 330 B3R0.2 O[As](O)[O-] CHEBI:29242 [1,0,0,0,0,0|2,0,1]=4 331 B3R0.2 O[As]([O-])[O-] CHEBI:29243 [1,0,0,0,0,0|2,0,1]=4 332 B3R0.2 O[SbH](=O)O CHEBI:30298 [1,0,0,0,0,0|2,0,0]=3 333 B3R0.2 O[Sb](O)O CHEBI:49870 [1,0,0,0,0,0|2,0,1]=4 334 B3R0.2 O[SeH](=O)=O CHEBI:29217 [1,0,0,0,0,0|2,0,0]=3 335 B3R0.2 O[Se](=O)O CHEBI:26642 [1,0,0,0,0,0|2,0,0]=3 336 B3R0.2 O[Se](=O)[O-] CHEBI:29924 [1,0,0,0,0,0|2,0,0]=3 337 B3R0.2 O[TeH](=O)=O CHEBI:30466 [1,0,0,0,0,0|2,0,0]=3 338 B3R0.2 O[Te](=O)O CHEBI:30465 [1,0,0,0,0,0|2,0,0]=3 339 B3R0.2 O[Te](=O)[O-] CHEBI:33522 [1,0,0,0,0,0|2,0,0]=3 340 B3R0.2 [*]B(O)O CHEBI:38269 [1,0,0,0,0,0|2,0,1]=4 341 B3R0.2 [*]B([*])O CHEBI:38270 [1,0,0,0,0,0|3,0,0]=4 342 B3R0.2 [*]C(=O)O CHEBI:33575 [1,0,0,0,0,0|1,0,0]=2 343 B3R0.2 [*]C(=O)[*] CHEBI:17087 [1,0,0,0,0,0|2,0,0]=3 344 B3R0.2 [*]C(=O)[O-] CHEBI:78892 [1,0,0,0,0,0|1,0,1]=3 345 B3R0.2 [*]C(=O)[O-] CHEBI:78893 [1,0,0,0,0,0|1,0,1]=3 346 B3R0.2 [*]C(=O)[O-] CHEBI:90582 [1,0,0,0,0,0|1,0,1]=3 347 B3R0.2 [*]C(=S)[*] CHEBI:36579 [1,0,0,0,0,0|2,1,0]=4 348 B3R0.2 [*]C(O)O CHEBI:63733 [1,0,0,0,0,0|1,0,2]=4 349 B3R0.2 [13C](=O)(N)N CHEBI:32285 [1,0,0,0,0,0|2,0,0]=3 350 B3R0.2 [Li]C(=C)C CHEBI:51485 [1,0,0,0,0,0|1,0,1]=3 351 B3R0.2 [Li]C(=C)F CHEBI:51483 [1,0,0,0,0,0|2,0,1]=4 352 B3R0.2 [N+](=O)(O)[O-] CHEBI:48107 [1,0,0,0,0,0|2,0,0]=3 353 B3R0.2 [N+](=O)([O-])[O-] CHEBI:17632 [1,0,0,0,0,0|2,0,1]=4 354 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63005 [1,0,0,0,0,0|2,0,1]=4 355 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63038 [1,0,0,0,0,0|2,0,1]=4 356 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63043 [1,0,0,0,0,0|2,0,1]=4 357 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63315 [1,0,0,0,0,0|2,0,1]=4 358 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63882 [1,0,0,0,0,0|2,0,1]=4 359 B3R0.2 [N+](=O)([O-])[O-] CHEBI:64205 [1,0,0,0,0,0|2,0,1]=4 360 B3R0.2 [N+](=O)([O-])[O-] CHEBI:64736 [1,0,0,0,0,0|2,0,1]=4 361 B3R0.2 [N+](=O)([O-])[O-] CHEBI:77732 [1,0,0,0,0,0|2,0,1]=4 362 B3R0.2 [N+](=O)([O-])[O-] CHEBI:78036 [1,0,0,0,0,0|2,0,1]=4 363 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86156 [1,0,0,0,0,0|2,0,1]=4 364 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86159 [1,0,0,0,0,0|2,0,1]=4 365 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86204 [1,0,0,0,0,0|2,0,1]=4 366 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86206 [1,0,0,0,0,0|2,0,1]=4 367 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86209 [1,0,0,0,0,0|2,0,1]=4 368 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86214 [1,0,0,0,0,0|2,0,1]=4 369 B3R0.2 [N+](=O)([O-])[O] CHEBI:29329 [1,0,0,0,0,0|2,0,1]=4 370 B3R0.2 [NH+](O)(O)[O-] CHEBI:37769 [1,0,0,0,0,0|2,0,1]=4 371 B3R0.2 [O-]Br(=O)=O CHEBI:29223 [1,0,0,0,0,0|2,0,1]=4 372 B3R0.2 [O-]Br(=O)=O CHEBI:38211 [1,0,0,0,0,0|2,0,1]=4 373 B3R0.2 [O-]Br(=O)=O CHEBI:75229 [1,0,0,0,0,0|2,0,1]=4 374 B3R0.2 [O-]Cl(=O)=O CHEBI:49709 [1,0,0,0,0,0|2,0,1]=4 375 B3R0.2 [O-]Cl(=O)=O CHEBI:65242 [1,0,0,0,0,0|2,0,1]=4 376 B3R0.2 [O-]F(=O)=O CHEBI:132769 [1,0,0,0,0,0|2,0,1]=4 377 B3R0.2 [O-]I(=O)=O CHEBI:29226 [1,0,0,0,0,0|2,0,1]=4 378 B3R0.2 [O-]P(=O)=O CHEBI:30932 [1,0,0,0,0,0|2,0,1]=4 379 B3R0.2 [O-]P(=O)[O-] CHEBI:16215 [1,0,0,0,0,0|2,0,1]=4 380 B3R0.2 [O-]S(=O)=O CHEBI:33543 [1,0,0,0,0,0|2,0,1]=4 381 B3R0.2 [O-]S(=O)S CHEBI:35943 [1,0,0,0,0,0|2,0,1]=4 382 B3R0.2 [O-]S(=O)[O-] CHEBI:17359 [1,0,0,0,0,0|2,0,1]=4 383 B3R0.2 [O-]S(=O)[O-] CHEBI:86477 [1,0,0,0,0,0|2,0,1]=4 384 B3R0.2 [O-]S(=O)[O] CHEBI:29405 [1,0,0,0,0,0|2,0,1]=4 385 B3R0.2 [O-]S(=O)[S-] CHEBI:29257 [1,0,0,0,0,0|2,0,1]=4 386 B3R0.2 [O-][AsH](=O)[O-] CHEBI:29754 [1,0,0,0,0,0|2,0,1]=4 387 B3R0.2 [O-][Se](=O)[O-] CHEBI:131361 [1,0,0,0,0,0|2,0,1]=4 388 B3R0.2 [O-][Se](=O)[O-] CHEBI:18212 [1,0,0,0,0,0|2,0,1]=4 389 B3R0.2 [O-][Se](=O)[O-] CHEBI:48843 [1,0,0,0,0,0|2,0,1]=4 390 B3R0.2 [O-][Si](=O)[O-] CHEBI:132108 [1,0,0,0,0,0|1,1,1]=4 391 B3R0.2 [O-][Si](=O)[O-] CHEBI:60720 [1,0,0,0,0,0|1,1,1]=4 392 B3R0.2 [O-][Si](=O)[O] CHEBI:30199 [1,0,0,0,0,0|1,1,1]=4 393 B3R0.2 [O-][Te](=O)[O-] CHEBI:30477 [1,0,0,0,0,0|2,0,1]=4 394 B3R0.2 [O-][Te](=O)[O-] CHEBI:75248 [1,0,0,0,0,0|2,0,1]=4 395 B3R0.2 [O-][Te](=O)[O] CHEBI:30478 [1,0,0,0,0,0|2,0,1]=4 396 B3R0.2 [O-][V](=O)=O CHEBI:132095 [1,0,0,0,0,0|2,0,1]=4 397 B3R0.2 [O-][V](=O)=O CHEBI:132765 [1,0,0,0,0,0|2,0,1]=4 398 B3R0.2 [O-][V](=O)=O CHEBI:75221 [1,0,0,0,0,0|2,0,1]=4 399 B3R0.2 [O-][V](=O)=O CHEBI:75224 [1,0,0,0,0,0|2,0,1]=4 400 B5R0.1 C#CCC(=O)O CHEBI:1461 [0,1,0,0,0,0|2,0,1]=4 401 B5R0.1 C#CCC(=O)[O-] CHEBI:62211 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [0,1,0,0,0,0|2,0,1]=4 403 B5R0.1 C(=C/N)/C(=O)[O-] CHEBI:59894 [0,1,0,0,0,0|2,0,1]=4 404 B5R0.1 C(=C\Cl)/C(=O)O CHEBI:19982 [0,1,0,0,0,0|2,0,1]=4 405 B5R0.1 C(=C\Cl)/C(=O)[O-] CHEBI:62074 [0,1,0,0,0,0|2,0,1]=4 406 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [0,1,0,0,0,0|2,0,1]=4 407 B5R0.1 C(C(=O)O)NO CHEBI:38049 [0,1,0,0,0,0|3,0,0]=4 408 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [0,1,0,0,0,0|2,0,1]=4 410 B5R0.1 C(CN)C(=O)N CHEBI:55360 [0,1,0,0,0,0|2,0,0]=3 411 B5R0.1 C(CN)C(=O)O CHEBI:16958 [0,1,0,0,0,0|2,0,0]=3 412 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [0,1,0,0,0,0|2,0,0]=3 413 B5R0.1 C(CO)C(=O)O CHEBI:33404 [0,1,0,0,0,0|2,0,0]=3 414 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.1 C(CS(=O)O)N CHEBI:16668 [0,1,0,0,0,0|3,0,0]=4 416 B5R0.1 C(CS(=O)[O-])[NH3+] CHEBI:57853 [0,1,0,0,0,0|3,0,0]=4 417 B5R0.1 C(CS)C(=O)O CHEBI:44111 [0,1,0,0,0,0|2,0,0]=3 418 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [0,1,0,0,0,0|2,0,0]=3 419 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [0,1,0,0,0,0|2,0,0]=3 420 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [0,1,0,0,0,0|2,0,0]=3 421 B5R0.1 C(N)NC(=O)N CHEBI:15609 [0,1,0,0,0,0|2,0,0]=3 422 B5R0.1 C(NC(=O)N)O CHEBI:16481 [0,1,0,0,0,0|2,0,0]=3 423 B5R0.1 C(N[N+](=O)[O-])O CHEBI:24722 [0,1,0,0,0,0|3,0,0]=4 424 B5R0.1 C([NH3+])NC(=O)N CHEBI:57431 [0,1,0,0,0,0|2,0,0]=3 425 B5R0.1 C=CCC(=O)O CHEBI:35897 [0,1,0,0,0,0|2,0,1]=4 426 B5R0.1 C=CCC(=O)[O-] CHEBI:35900 [0,1,0,0,0,0|2,0,1]=4 427 B5R0.1 C=COC(=O)N CHEBI:27292 [0,1,0,0,0,0|1,0,1]=3 428 B5R0.1 CC#[N+][C-](C)C CHEBI:47847 [0,1,0,0,0,0|2,0,1]=4 429 B5R0.1 CC(=C)CCO CHEBI:62898 [0,1,0,0,0,0|2,0,0]=3 430 B5R0.1 CC(=CC=O)C CHEBI:15825 [0,1,0,0,0,0|2,0,1]=4 431 B5R0.1 CC(=CCO)C CHEBI:16019 [0,1,0,0,0,0|2,0,0]=3 432 B5R0.1 CC(=O)CC=C CHEBI:87508 [0,1,0,0,0,0|1,0,1]=3 433 B5R0.1 CC(=O)CCO CHEBI:41268 [0,1,0,0,0,0|1,0,0]=2 434 B5R0.1 CC(=O)OC=C CHEBI:46916 [0,1,0,0,0,0|0,0,1]=2 435 B5R0.1 CC(C)CCN CHEBI:43689 [0,1,0,0,0,0|2,0,1]=4 436 B5R0.1 CC(C)CCO CHEBI:15837 [0,1,0,0,0,0|2,0,1]=4 437 B5R0.1 CC(CCO)O CHEBI:52683 [0,1,0,0,0,0|1,0,2]=4 438 B5R0.1 CC=CC(=O)C CHEBI:89540 [0,1,0,0,0,0|1,0,0]=2 439 B5R0.1 CCCC(=O)C CHEBI:16472 [0,1,0,0,0,0|1,0,0]=2 440 B5R0.1 CCCC(=O)N CHEBI:50724 [0,1,0,0,0,0|2,0,0]=3 441 B5R0.1 CCCC(=O)O CHEBI:30772 [0,1,0,0,0,0|2,0,0]=3 442 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [0,1,0,0,0,0|2,0,0]=3 443 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [0,1,0,0,0,0|2,0,0]=3 444 B5R0.1 CCCC(C)O CHEBI:77518 [0,1,0,0,0,0|1,0,2]=4 445 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [0,1,0,0,0,0|3,0,0]=4 446 B5R0.1 CCNC(=O)C CHEBI:87370 [0,1,0,0,0,0|1,0,0]=2 447 B5R0.1 CCOC(=O)C CHEBI:27750 [0,1,0,0,0,0|0,0,0]=1 448 B5R0.1 CCOC(=O)N CHEBI:17967 [0,1,0,0,0,0|1,0,0]=2 449 B5R0.1 CCOC(=O)O CHEBI:50849 [0,1,0,0,0,0|1,0,0]=2 450 B5R0.1 CCOP(=O)O CHEBI:40926 [0,1,0,0,0,0|2,0,0]=3 451 B5R0.1 CCOP(=O)[O-] CHEBI:84033 [0,1,0,0,0,0|2,0,0]=3 452 B5R0.1 CN(C)CCCl CHEBI:78153 [0,1,0,0,0,0|3,0,0]=4 453 B5R0.1 CN(C)CCCl CHEBI:78155 [0,1,0,0,0,0|3,0,0]=4 454 B5R0.1 CN(C)CCO CHEBI:271436 [0,1,0,0,0,0|3,0,0]=4 455 B5R0.1 CNCC(=O)O CHEBI:15611 [0,1,0,0,0,0|2,0,0]=3 456 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [0,1,0,0,0,0|2,0,0]=3 457 B5R0.1 COCC(=O)O CHEBI:132098 [0,1,0,0,0,0|1,0,0]=2 458 B5R0.1 COCC(=O)[O-] CHEBI:132096 [0,1,0,0,0,0|1,0,0]=2 459 B5R0.1 COCC(=O)[O-] CHEBI:132097 [0,1,0,0,0,0|1,0,0]=2 460 B5R0.1 CSCC(=O)O CHEBI:47870 [0,1,0,0,0,0|1,1,0]=3 461 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [0,1,0,0,0,0|1,1,0]=3 462 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [0,1,0,0,0,0|1,0,2]=4 463 B5R0.1 C[C@H](CCO)O CHEBI:52687 [0,1,0,0,0,0|1,0,2]=4 464 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [0,1,0,0,0,0|3,0,0]=4 465 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [0,1,0,0,0,0|2,0,0]=3 466 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [0,1,0,0,0,0|2,0,0]=3 467 B5R0.1 C[S+](C)CCO CHEBI:63035 [0,1,0,0,0,0|3,0,0]=4 468 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [0,1,0,0,0,0|2,0,0]=3 469 B5R0.1 C\C=C/C(=O)[O-] CHEBI:36254 [0,1,0,0,0,0|2,0,0]=3 470 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [0,1,0,0,0,0|2,0,0]=3 471 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [0,1,0,0,0,0|2,0,0]=3 472 B5R0.1 C\C=C\C(=O)[O-] CHEBI:35899 [0,1,0,0,0,0|2,0,0]=3 473 B5R0.1 C\C=C\C(=O)[O-] CHEBI:36258 [0,1,0,0,0,0|2,0,0]=3 474 B5R0.1 C\[N+](=N\CO)\[O-] CHEBI:29323 [0,1,0,0,0,0|2,0,1]=4 475 B5R0.1 [*]C#CC(=O)[*] CHEBI:51723 [0,1,0,0,0,0|2,0,1]=4 476 B5R0.1 [*]C(=O)NO[*] CHEBI:75606 [0,1,0,0,0,0|2,0,0]=3 477 B5R0.1 [*]C(=O)OCC CHEBI:13209 [0,1,0,0,0,0|1,0,0]=2 478 B5R0.1 [*]O\N=C(/[*])\[*] CHEBI:36816 [0,1,0,0,0,0|3,0,0]=4 479 B5R0.1 [Li]C(=C)OCC CHEBI:59557 [0,1,0,0,0,0|1,0,1]=3 480 B5R0.3 C(#N)C(=O)C#N CHEBI:33187 [0,1,0,0,0,0|2,0,1]=4 481 B5R0.3 C(=O)(NN)NN CHEBI:61308 [0,1,0,0,0,0|3,0,0]=4 482 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [0,1,0,0,0,0|2,0,0]=3 483 B5R0.3 C(C(=O)CO)O CHEBI:16016 [0,1,0,0,0,0|2,0,0]=3 484 B5R0.3 C(C(=O)NO)N CHEBI:75426 [0,1,0,0,0,0|2,0,0]=3 485 B5R0.3 CCC(=O)CC CHEBI:87755 [0,1,0,0,0,0|1,0,0]=2 486 B5R0.3 CCC(C)C#N CHEBI:61669 [0,1,0,0,0,0|2,0,1]=4 487 B5R0.3 CCC(C)C=O CHEBI:16182 [0,1,0,0,0,0|1,0,1]=3 488 B5R0.3 CCC(C)CO CHEBI:48945 [0,1,0,0,0,0|1,0,2]=4 489 B5R0.3 CCC(C)NC CHEBI:84267 [0,1,0,0,0,0|2,0,1]=4 490 B5R0.3 CCC(CC)N CHEBI:84248 [0,1,0,0,0,0|2,0,1]=4 491 B5R0.3 CCC(CC)O CHEBI:77519 [0,1,0,0,0,0|1,0,2]=4 492 B5R0.3 CCC(CO)O CHEBI:52682 [0,1,0,0,0,0|1,0,2]=4 493 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,1,0,0,0,0|1,0,2]=4 494 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,1,0,0,0,0|1,0,2]=4 495 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,1,0,0,0,0|1,0,2]=4 496 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,1,0,0,0,0|1,0,2]=4 497 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,1,0,0,0,0|1,0,2]=4 498 B5R0.3 CNC(=O)CS CHEBI:38731 [0,1,0,0,0,0|1,0,0]=2 499 B5R0.3 CNC(=O)NC CHEBI:80472 [0,1,0,0,0,0|1,0,0]=2 500 B5R0.3 COC(=O)CN CHEBI:87375 [0,1,0,0,0,0|0,0,0]=1 501 B5R0.3 COC(=O)OC CHEBI:36596 [0,1,0,0,0,0|0,0,0]=1 502 B5R0.3 COS(=O)OC CHEBI:48858 [0,1,0,0,0,0|1,0,0]=2 503 B5R0.3 CO[Se](=O)OC CHEBI:48842 [0,1,0,0,0,0|1,0,0]=2 504 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [0,1,0,0,0,0|0,1,1]=3 505 B5R0.4 CC(C)(C)OC CHEBI:27642 [0,1,0,0,0,0|1,0,1]=3 506 B5R0.4 CC(C)(C)OO CHEBI:64090 [0,1,0,0,0,0|2,0,1]=4 507 B5R0.4 CCC(C)(C)N CHEBI:84236 [0,1,0,0,0,0|2,0,1]=4 508 B5R0.4 CCC(C)(C)O CHEBI:132750 [0,1,0,0,0,0|1,0,2]=4 509 B5R0.4 CCS(=O)(=O)O CHEBI:42465 [0,1,0,0,0,0|3,0,0]=4 510 B5R0.4 CCS(=O)(=O)[O-] CHEBI:61909 [0,1,0,0,0,0|3,0,0]=4 511 B5R0.4 CC[N+](C)(C)C CHEBI:271685 [0,1,0,0,0,0|3,0,0]=4 512 B5R0.4 CC[N+](C)(C)C CHEBI:55320 [0,1,0,0,0,0|3,0,0]=4 513 B5R0.4 CC[Si](C)(C)C CHEBI:48788 [0,1,0,0,0,0|2,1,0]=4 514 B5R0.4 COP(=O)(O)O CHEBI:340824 [0,1,0,0,0,0|2,0,0]=3 515 B5R0.4 COP(=O)([O-])[O-] CHEBI:59761 [0,1,0,0,0,0|2,0,0]=3 516 B5R0.4 COS(=O)(=O)C CHEBI:25255 [0,1,0,0,0,0|1,0,0]=2 517 B5R0.4 COS(=O)(=O)O CHEBI:17760 [0,1,0,0,0,0|2,0,0]=3 518 B5R0.4 COS(=O)(=O)[O-] CHEBI:58261 [0,1,0,0,0,0|2,0,0]=3 519 B5R0.4 CSS(=O)(=O)C CHEBI:74357 [0,1,0,0,0,0|1,1,0]=3 520 B5R0.4 NOP(=O)(O)O CHEBI:28048 [0,1,0,0,0,0|3,0,0]=4 521 B5R0.4 O=Cl(=O)(=O)OCl CHEBI:52353 [0,1,0,0,0,0|3,0,0]=4 522 B5R0.4 OOP(=O)(O)O CHEBI:29282 [0,1,0,0,0,0|3,0,0]=4 523 B5R0.4 OOS(=O)(=O)O CHEBI:29286 [0,1,0,0,0,0|3,0,0]=4 524 B5R0.4 OOS(=O)(=O)[O-] CHEBI:33525 [0,1,0,0,0,0|3,0,0]=4 525 B5R0.4 OP(=O)([O-])O[O] CHEBI:29928 [0,1,0,0,0,0|3,0,0]=4 526 B5R0.4 OS(=O)(=O)O[O-] CHEBI:33524 [0,1,0,0,0,0|3,0,0]=4 527 B5R0.4 OS(=O)(=O)O[O] CHEBI:29929 [0,1,0,0,0,0|3,0,0]=4 528 B5R0.4 [*]S(=O)(=O)O[*] CHEBI:83347 [0,1,0,0,0,0|3,0,0]=4 529 B5R0.4 [O-]OP(=O)([O-])[O-] CHEBI:29283 [0,1,0,0,0,0|3,0,0]=4 530 B5R0.4 [O-]OS(=O)(=O)[O-] CHEBI:29288 [0,1,0,0,0,0|3,0,0]=4 531 B5R0.4 [O-]P(=O)([O-])O[O] CHEBI:29933 [0,1,0,0,0,0|3,0,0]=4 532 B5R0.5 C(=O)(C(=O)N)N CHEBI:48248 [0,1,0,0,0,0|3,0,0]=4 533 B5R0.5 C(=O)(C(=O)O)N CHEBI:18058 [0,1,0,0,0,0|3,0,0]=4 534 B5R0.5 C(=O)(C(=O)O)O CHEBI:16995 [0,1,0,0,0,0|3,0,0]=4 535 B5R0.5 C(=O)(C(=O)[O-])N CHEBI:58363 [0,1,0,0,0,0|3,0,0]=4 536 B5R0.5 C(=O)(C(=O)[O-])O CHEBI:46904 [0,1,0,0,0,0|3,0,0]=4 537 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:132764 [0,1,0,0,0,0|3,0,0]=4 538 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:30623 [0,1,0,0,0,0|3,0,0]=4 539 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:60579 [0,1,0,0,0,0|3,0,0]=4 540 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:91241 [0,1,0,0,0,0|3,0,0]=4 541 B5R0.5 C(C(=O)Cl)(Cl)Cl CHEBI:34688 [0,1,0,0,0,0|3,0,0]=4 542 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [0,1,0,0,0,0|3,0,0]=4 543 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [0,1,0,0,0,0|3,0,0]=4 544 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [0,1,0,0,0,0|3,0,0]=4 545 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [0,1,0,0,0,0|3,0,0]=4 546 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [0,1,0,0,0,0|3,0,0]=4 547 B5R0.5 C(C(=O)[O-])(Cl)Cl CHEBI:28240 [0,1,0,0,0,0|3,0,0]=4 548 B5R0.5 C(C(=O)[O-])(F)F CHEBI:23715 [0,1,0,0,0,0|3,0,0]=4 549 B5R0.5 C=C(C(=O)O)Cl CHEBI:73963 [0,1,0,0,0,0|2,0,1]=4 550 B5R0.5 C=C(C(=O)O)N CHEBI:17123 [0,1,0,0,0,0|2,0,1]=4 551 B5R0.5 C=C(C(=O)O)O CHEBI:86354 [0,1,0,0,0,0|2,0,1]=4 552 B5R0.5 C=C(C(=O)[O-])Cl CHEBI:73935 [0,1,0,0,0,0|2,0,1]=4 553 B5R0.5 C=C(C(=O)[O-])N CHEBI:58020 [0,1,0,0,0,0|2,0,1]=4 554 B5R0.5 C=C(C(=O)[O-])[NH3+] CHEBI:76565 [0,1,0,0,0,0|2,0,1]=4 555 B5R0.5 CC(=C)C(=O)N CHEBI:51759 [0,1,0,0,0,0|2,0,0]=3 556 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,1,0,0,0,0|2,0,0]=3 557 B5R0.5 CC(=C)C(=O)[O-] CHEBI:25218 [0,1,0,0,0,0|2,0,0]=3 558 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,1,0,0,0,0|2,0,0]=3 559 B5R0.5 CC(=N)C(=O)[O-] CHEBI:77456 [0,1,0,0,0,0|2,0,0]=3 560 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [0,1,0,0,0,0|1,0,0]=2 561 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,1,0,0,0,0|2,0,0]=3 562 B5R0.5 CC(=O)C(=O)[O-] CHEBI:15361 [0,1,0,0,0,0|2,0,0]=3 563 B5R0.5 CC(=O)C(=O)[O-] CHEBI:50144 [0,1,0,0,0,0|2,0,0]=3 564 B5R0.5 CC(=O)N(C)C CHEBI:84254 [0,1,0,0,0,0|1,0,0]=2 565 B5R0.5 CC(=[NH2+])C(=O)[O-] CHEBI:44400 [0,1,0,0,0,0|2,0,0]=3 566 B5R0.5 CC(C(=O)C)O CHEBI:15688 [0,1,0,0,0,0|1,0,0]=2 567 B5R0.5 CC(C(=O)N)O CHEBI:75144 [0,1,0,0,0,0|2,0,0]=3 568 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,1,0,0,0,0|2,0,0]=3 569 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,1,0,0,0,0|2,0,0]=3 570 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,1,0,0,0,0|2,0,0]=3 571 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,1,0,0,0,0|2,0,0]=3 572 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [0,1,0,0,0,0|2,0,0]=3 573 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [0,1,0,0,0,0|2,0,0]=3 574 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [0,1,0,0,0,0|2,0,0]=3 575 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [0,1,0,0,0,0|2,0,0]=3 576 B5R0.5 CC(C(C)O)O CHEBI:62064 [0,1,0,0,0,0|1,0,2]=4 577 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,1,0,0,0,0|2,0,0]=3 578 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [0,1,0,0,0,0|2,0,0]=3 579 B5R0.5 CC(C)C(C)O CHEBI:77517 [0,1,0,0,0,0|1,0,2]=4 580 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [0,1,0,0,0,0|3,0,0]=4 581 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,1,0,0,0,0|2,0,0]=3 582 B5R0.5 CN(C)C(=S)S CHEBI:83061 [0,1,0,0,0,0|2,1,0]=4 583 B5R0.5 CN(C)C(=S)[S-] CHEBI:84293 [0,1,0,0,0,0|2,1,0]=4 584 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [0,1,0,0,0,0|1,0,0]=2 585 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [0,1,0,0,0,0|2,0,0]=3 586 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [0,1,0,0,0,0|2,0,0]=3 587 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,1,0,0,0,0|2,0,0]=3 588 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,1,0,0,0,0|2,0,0]=3 589 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,1,0,0,0,0|2,0,0]=3 590 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,1,0,0,0,0|2,0,0]=3 591 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,1,0,0,0,0|2,0,0]=3 592 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [0,1,0,0,0,0|2,0,0]=3 593 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [0,1,0,0,0,0|2,0,0]=3 594 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [0,1,0,0,0,0|2,0,0]=3 595 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [0,1,0,0,0,0|2,0,0]=3 596 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [0,1,0,0,0,0|1,0,2]=4 597 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [0,1,0,0,0,0|1,0,0]=2 598 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,1,0,0,0,0|2,0,0]=3 599 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,1,0,0,0,0|2,0,0]=3 600 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,1,0,0,0,0|2,0,0]=3 601 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,1,0,0,0,0|2,0,0]=3 602 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [0,1,0,0,0,0|2,0,0]=3 603 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [0,1,0,0,0,0|2,0,0]=3 604 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [0,1,0,0,0,0|2,0,0]=3 605 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [0,1,0,0,0,0|1,0,2]=4 606 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [0,1,0,0,0,0|1,0,2]=4 607 B5R0.5 [*]C(=O)C(=O)O CHEBI:35910 [0,1,0,0,0,0|3,0,0]=4 608 B5R0.5 [*]C(=O)C(=O)[O-] CHEBI:35179 [0,1,0,0,0,0|3,0,0]=4 609 B5R0.5 [*]C(=O)N([*])[*] CHEBI:37622 [0,1,0,0,0,0|3,0,0]=4 610 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,1,0,0,0,0|2,0,0]=3 611 B5R1.2 C1CNC1=O CHEBI:327119 [0,0,0,1,0,0|1,0,0]=2 612 B5R1.2 C1COC1=O CHEBI:49073 [0,0,0,1,0,0|0,0,0]=1 613 B5R1.5 C[N+]1(CC1)C CHEBI:50947 [0,0,0,1,0,0|3,0,0]=4 614 B2R0.1 B(=O)[O-] CHEBI:75227 [2,0,0,0,0,0|1,0,1]=4 615 B2R0.1 B(O)O CHEBI:38267 [2,0,0,0,0,0|1,0,1]=4 616 B2R0.1 C(#N)O CHEBI:28024 [2,0,0,0,0,0|1,0,1]=4 617 B2R0.1 C(=N)=O CHEBI:29202 [2,0,0,0,0,0|1,0,1]=4 618 B2R0.1 C(=N)N CHEBI:38477 [2,0,0,0,0,0|2,0,0]=4 619 B2R0.1 C(=N)O CHEBI:48431 [2,0,0,0,0,0|1,0,0]=3 620 B2R0.1 C(=O)=O CHEBI:16526 [2,0,0,0,0,0|0,0,2]=4 621 B2R0.1 C(=O)=S CHEBI:16573 [2,0,0,0,0,0|0,1,1]=4 622 B2R0.1 C(=O)N CHEBI:16397 [2,0,0,0,0,0|1,0,0]=3 623 B2R0.1 C(=O)O CHEBI:30751 [2,0,0,0,0,0|0,0,0]=2 624 B2R0.1 C(=O)[O-] CHEBI:15740 [2,0,0,0,0,0|0,0,1]=3 625 B2R0.1 C(=O)[O-] CHEBI:62965 [2,0,0,0,0,0|0,0,1]=3 626 B2R0.1 C(=O)[O-] CHEBI:63006 [2,0,0,0,0,0|0,0,1]=3 627 B2R0.1 C(=O)[O-] CHEBI:63050 [2,0,0,0,0,0|0,0,1]=3 628 B2R0.1 C(=O)[O-] CHEBI:63316 [2,0,0,0,0,0|0,0,1]=3 629 B2R0.1 C(O)O CHEBI:48397 [2,0,0,0,0,0|0,0,2]=4 630 B2R0.1 C=C=C CHEBI:37601 [2,0,0,0,0,0|1,0,1]=4 631 B2R0.1 C=C=O CHEBI:48003 [2,0,0,0,0,0|0,0,2]=4 632 B2R0.1 C=CBr CHEBI:51311 [2,0,0,0,0,0|1,0,1]=4 633 B2R0.1 C=CCl CHEBI:28509 [2,0,0,0,0,0|1,0,1]=4 634 B2R0.1 C=CF CHEBI:51314 [2,0,0,0,0,0|1,0,1]=4 635 B2R0.1 C=CI CHEBI:51315 [2,0,0,0,0,0|1,0,1]=4 636 B2R0.1 C=[N+]=[N-] CHEBI:73716 [2,0,0,0,0,0|2,0,0]=4 637 B2R0.1 CC#C CHEBI:48086 [2,0,0,0,0,0|0,0,2]=4 638 B2R0.1 CC#N CHEBI:38472 [2,0,0,0,0,0|1,0,1]=4 639 B2R0.1 CC=C CHEBI:16052 [2,0,0,0,0,0|0,0,1]=3 640 B2R0.1 CC=O CHEBI:15343 [2,0,0,0,0,0|0,0,0]=2 641 B2R0.1 CC=O CHEBI:16571 [2,0,0,0,0,0|0,0,0]=2 642 B2R0.1 CCC CHEBI:32879 [2,0,0,0,0,0|0,0,1]=3 643 B2R0.1 CCCl CHEBI:47554 [2,0,0,0,0,0|1,0,1]=4 644 B2R0.1 CCI CHEBI:42487 [2,0,0,0,0,0|1,0,1]=4 645 B2R0.1 CCN CHEBI:15862 [2,0,0,0,0,0|1,0,1]=4 646 B2R0.1 CCO CHEBI:16236 [2,0,0,0,0,0|0,0,1]=3 647 B2R0.1 CCO CHEBI:17246 [2,0,0,0,0,0|0,0,1]=3 648 B2R0.1 CCP CHEBI:35889 [2,0,0,0,0,0|1,0,1]=4 649 B2R0.1 CC[Hg+] CHEBI:33204 [2,0,0,0,0,0|1,0,1]=4 650 B2R0.1 CC[NH3+] CHEBI:566789 [2,0,0,0,0,0|1,0,1]=4 651 B2R0.1 CC[NH3+] CHEBI:63880 [2,0,0,0,0,0|1,0,1]=4 652 B2R0.1 CC[O-] CHEBI:52092 [2,0,0,0,0,0|0,0,2]=4 653 B2R0.1 CC[O-] CHEBI:52096 [2,0,0,0,0,0|0,0,2]=4 654 B2R0.1 CNC CHEBI:17170 [2,0,0,0,0,0|1,0,0]=3 655 B2R0.1 COC CHEBI:28887 [2,0,0,0,0,0|0,0,0]=2 656 B2R0.1 CPC CHEBI:35888 [2,0,0,0,0,0|1,0,0]=3 657 B2R0.1 CSC CHEBI:17437 [2,0,0,0,0,0|0,1,0]=3 658 B2R0.1 CSO CHEBI:48272 [2,0,0,0,0,0|1,0,0]=3 659 B2R0.1 C[C]=O CHEBI:46887 [2,0,0,0,0,0|0,0,1]=3 660 B2R0.1 C[Hg]C CHEBI:30786 [2,0,0,0,0,0|1,0,0]=3 661 B2R0.1 C[Hg]Cl CHEBI:28216 [2,0,0,0,0,0|2,0,0]=4 662 B2R0.1 C[Mg]Cl CHEBI:51492 [2,0,0,0,0,0|2,0,0]=4 663 B2R0.1 C[N+]#[C-] CHEBI:44177 [2,0,0,0,0,0|1,0,1]=4 664 B2R0.1 C[NH2+]C CHEBI:58040 [2,0,0,0,0,0|1,0,0]=3 665 B2R0.1 C[Se]C CHEBI:4610 [2,0,0,0,0,0|0,1,0]=3 666 B2R0.1 C[Se]O CHEBI:77062 [2,0,0,0,0,0|1,0,0]=3 667 B2R0.1 C[SnH2]C CHEBI:30538 [2,0,0,0,0,0|1,0,0]=3 668 B2R0.1 C[Sn]C CHEBI:30539 [2,0,0,0,0,0|1,0,0]=3 669 B2R0.1 C[Te]C CHEBI:4613 [2,0,0,0,0,0|0,1,0]=3 670 B2R0.1 C[Zn]C CHEBI:51497 [2,0,0,0,0,0|1,0,0]=3 671 B2R0.1 N(=O)O CHEBI:25567 [2,0,0,0,0,0|1,0,0]=3 672 B2R0.1 N(=O)S CHEBI:65308 [2,0,0,0,0,0|1,1,0]=4 673 B2R0.1 N(=O)[O-] CHEBI:16301 [2,0,0,0,0,0|1,0,1]=4 674 B2R0.1 N(=O)[O-] CHEBI:78870 [2,0,0,0,0,0|1,0,1]=4 675 B2R0.1 N=S=O CHEBI:48872 [2,0,0,0,0,0|1,1,0]=4 676 B2R0.1 O(Cl)Cl CHEBI:30198 [2,0,0,0,0,0|2,0,0]=4 677 B2R0.1 O(F)F CHEBI:30494 [2,0,0,0,0,0|2,0,0]=4 678 B2R0.1 O([Fe])[Fe] CHEBI:47411 [2,0,0,0,0,0|2,0,0]=4 679 B2R0.1 O([SiH3])[SiH3] CHEBI:48141 [2,0,0,0,0,0|0,2,0]=4 680 B2R0.1 O=Br=O CHEBI:29874 [2,0,0,0,0,0|1,0,1]=4 681 B2R0.1 O=Cl=O CHEBI:29415 [2,0,0,0,0,0|1,0,1]=4 682 B2R0.1 O=ClF CHEBI:30127 [2,0,0,0,0,0|2,0,0]=4 683 B2R0.1 O=I=O CHEBI:29901 [2,0,0,0,0,0|1,0,1]=4 684 B2R0.1 O=S=O CHEBI:18422 [2,0,0,0,0,0|1,0,1]=4 685 B2R0.1 O=[Br+]=O CHEBI:29880 [2,0,0,0,0,0|1,0,1]=4 686 B2R0.1 O=[Ce]=O CHEBI:79089 [2,0,0,0,0,0|1,0,1]=4 687 B2R0.1 O=[Cl+]=O CHEBI:29418 [2,0,0,0,0,0|1,0,1]=4 688 B2R0.1 O=[Cr]=O CHEBI:48263 [2,0,0,0,0,0|1,0,1]=4 689 B2R0.1 O=[I+]=O CHEBI:29903 [2,0,0,0,0,0|1,0,1]=4 690 B2R0.1 O=[P]=O CHEBI:37370 [2,0,0,0,0,0|1,0,1]=4 691 B2R0.1 O=[Si]=O CHEBI:30563 [2,0,0,0,0,0|0,1,1]=4 692 B2R0.1 O=[Sn]=O CHEBI:52991 [2,0,0,0,0,0|1,0,1]=4 693 B2R0.1 O=[Tc]=O CHEBI:26864 [2,0,0,0,0,0|1,0,1]=4 694 B2R0.1 O=[Th]=O CHEBI:37339 [2,0,0,0,0,0|1,0,1]=4 695 B2R0.1 O=[Ti]=O CHEBI:32234 [2,0,0,0,0,0|1,0,1]=4 696 B2R0.1 O=[U+2]=O CHEBI:43515 [2,0,0,0,0,0|1,0,1]=4 697 B2R0.1 O=[U+]=O CHEBI:29124 [2,0,0,0,0,0|1,0,1]=4 698 B2R0.1 O=[V+]=O CHEBI:30048 [2,0,0,0,0,0|1,0,1]=4 699 B2R0.1 O=[V]=O CHEBI:30047 [2,0,0,0,0,0|1,0,1]=4 700 B2R0.1 OBr=O CHEBI:29247 [2,0,0,0,0,0|1,0,0]=3 701 B2R0.1 OCl=O CHEBI:29219 [2,0,0,0,0,0|1,0,0]=3 702 B2R0.1 OF=O CHEBI:47862 [2,0,0,0,0,0|1,0,0]=3 703 B2R0.1 OI=O CHEBI:29229 [2,0,0,0,0,0|1,0,0]=3 704 B2R0.1 OOO CHEBI:46736 [2,0,0,0,0,0|1,0,1]=4 705 B2R0.1 OO[O] CHEBI:29411 [2,0,0,0,0,0|1,0,1]=4 706 B2R0.1 OO[S] CHEBI:29409 [2,0,0,0,0,0|1,0,1]=4 707 B2R0.1 OP=O CHEBI:36363 [2,0,0,0,0,0|1,0,0]=3 708 B2R0.1 OPO CHEBI:29261 [2,0,0,0,0,0|1,0,1]=4 709 B2R0.1 OS=O CHEBI:29213 [2,0,0,0,0,0|1,0,0]=3 710 B2R0.1 OSO CHEBI:33536 [2,0,0,0,0,0|1,0,1]=4 711 B2R0.1 OS[O-] CHEBI:33538 [2,0,0,0,0,0|1,0,1]=4 712 B2R0.1 OS[O] CHEBI:29408 [2,0,0,0,0,0|1,0,1]=4 713 B2R0.1 O[Al]=O CHEBI:30188 [2,0,0,0,0,0|1,0,0]=3 714 B2R0.1 O[AsH2]=O CHEBI:29840 [2,0,0,0,0,0|1,0,0]=3 715 B2R0.1 O[AsH]O CHEBI:29847 [2,0,0,0,0,0|1,0,1]=4 716 B2R0.1 O[AsH][O-] CHEBI:33410 [2,0,0,0,0,0|1,0,1]=4 717 B2R0.1 O[PH2]=O CHEBI:29031 [2,0,0,0,0,0|1,0,0]=3 718 B2R0.1 O[P][O-] CHEBI:29926 [2,0,0,0,0,0|1,0,1]=4 719 B2R0.1 O[SbH2]=O CHEBI:30300 [2,0,0,0,0,0|1,0,0]=3 720 B2R0.1 O[SbH]O CHEBI:30299 [2,0,0,0,0,0|1,0,1]=4 721 B2R0.1 O[SeH]=O CHEBI:29218 [2,0,0,0,0,0|1,0,0]=3 722 B2R0.1 O[SiH2]O CHEBI:46888 [2,0,0,0,0,0|0,1,1]=4 723 B2R0.1 O[SiH2][SiH3] CHEBI:37174 [2,0,0,0,0,0|0,2,0]=4 724 B2R0.1 O[TeH]=O CHEBI:30467 [2,0,0,0,0,0|1,0,0]=3 725 B2R0.1 [*]C=O CHEBI:17478 [2,0,0,0,0,0|1,0,0]=3 726 B2R0.1 [*]CO CHEBI:15734 [2,0,0,0,0,0|1,0,1]=4 727 B2R0.1 [*]O[*] CHEBI:25698 [2,0,0,0,0,0|2,0,0]=4 728 B2R0.1 [1H]O[1H] CHEBI:29375 [2,0,0,0,0,0|2,0,0]=4 729 B2R0.1 [2H]O[2H] CHEBI:41981 [2,0,0,0,0,0|2,0,0]=4 730 B2R0.1 [3H]O[3H] CHEBI:29374 [2,0,0,0,0,0|2,0,0]=4 731 B2R0.1 [C-]#[N+]O CHEBI:29814 [2,0,0,0,0,0|1,0,1]=4 732 B2R0.1 [CH2]C=O CHEBI:46886 [2,0,0,0,0,0|0,0,1]=3 733 B2R0.1 [C](=N)O CHEBI:33099 [2,0,0,0,0,0|1,0,1]=4 734 B2R0.1 [C](=O)N CHEBI:33100 [2,0,0,0,0,0|1,0,1]=4 735 B2R0.1 [C](=O)O CHEBI:29326 [2,0,0,0,0,0|0,0,1]=3 736 B2R0.1 [C](=O)[O-] CHEBI:29325 [2,0,0,0,0,0|0,0,2]=4 737 B2R0.1 [C](=[N-])O CHEBI:29818 [2,0,0,0,0,0|1,0,1]=4 738 B2R0.1 [Li]C=C CHEBI:51472 [2,0,0,0,0,0|1,0,1]=4 739 B2R0.1 [Li]CC CHEBI:51468 [2,0,0,0,0,0|1,0,1]=4 740 B2R0.1 [N+](=O)=O CHEBI:29424 [2,0,0,0,0,0|1,0,1]=4 741 B2R0.1 [N-]=[N]=O CHEBI:29796 [2,0,0,0,0,0|2,0,0]=4 742 B2R0.1 [NH2+](O)[O-] CHEBI:37766 [2,0,0,0,0,0|1,0,1]=4 743 B2R0.1 [N](=O)=O CHEBI:33101 [2,0,0,0,0,0|1,0,1]=4 744 B2R0.1 [O-]Br=O CHEBI:29248 [2,0,0,0,0,0|1,0,1]=4 745 B2R0.1 [O-]Cl=O CHEBI:17441 [2,0,0,0,0,0|1,0,1]=4 746 B2R0.1 [O-]Cl=O CHEBI:78667 [2,0,0,0,0,0|1,0,1]=4 747 B2R0.1 [O-]I=O CHEBI:29230 [2,0,0,0,0,0|1,0,1]=4 748 B2R0.1 [O-]O[O] CHEBI:29382 [2,0,0,0,0,0|1,0,1]=4 749 B2R0.1 [O-]P=O CHEBI:44951 [2,0,0,0,0,0|1,0,1]=4 750 B2R0.1 [O-]S=O CHEBI:9341 [2,0,0,0,0,0|1,0,1]=4 751 B2R0.1 [O-][AsH2]=O CHEBI:29846 [2,0,0,0,0,0|1,0,1]=4 752 B2R0.1 [O-][As]=O CHEBI:29678 [2,0,0,0,0,0|1,0,1]=4 753 B2R0.1 [O-][Fe]=O CHEBI:78619 [2,0,0,0,0,0|1,0,1]=4 754 B2R0.1 [O-][O+]=O CHEBI:25812 [2,0,0,0,0,0|1,0,1]=4 755 B2R0.1 [O-][PH2]=O CHEBI:29198 [2,0,0,0,0,0|1,0,1]=4 756 B2R0.1 [O]OBr CHEBI:29875 [2,0,0,0,0,0|1,0,1]=4 757 B2R0.1 [O]OCl CHEBI:29414 [2,0,0,0,0,0|1,0,1]=4 758 B2R0.1 [O]OI CHEBI:29902 [2,0,0,0,0,0|1,0,1]=4 759 B2R0.1 [O]OS CHEBI:29410 [2,0,0,0,0,0|1,0,1]=4 760 B4R0.2 B(=O)OB=O CHEBI:30163 [1,1,0,0,0,0|2,0,0]=4 761 B4R0.2 C#CCC=O CHEBI:28180 [1,1,0,0,0,0|1,0,1]=4 762 B4R0.2 C(=O)OC=O CHEBI:36657 [1,1,0,0,0,0|0,0,1]=3 763 B4R0.2 C(C=O)C=O CHEBI:566274 [1,1,0,0,0,0|1,0,1]=4 764 B4R0.2 C(CN)C=O CHEBI:18090 [1,1,0,0,0,0|1,0,0]=3 765 B4R0.2 C(CN)C=O CHEBI:27390 [1,1,0,0,0,0|1,0,0]=3 766 B4R0.2 C(CO)C=O CHEBI:17871 [1,1,0,0,0,0|1,0,0]=3 767 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [1,1,0,0,0,0|1,0,0]=3 768 B4R0.2 C(OCCl)Cl CHEBI:82270 [1,1,0,0,0,0|1,0,1]=4 769 B4R0.2 C(\C=C/Cl)Cl CHEBI:18809 [1,1,0,0,0,0|2,0,0]=4 770 B4R0.2 C(\C=C/Cl)O CHEBI:28967 [1,1,0,0,0,0|2,0,0]=4 771 B4R0.2 C(\C=C\Cl)Cl CHEBI:18624 [1,1,0,0,0,0|2,0,0]=4 772 B4R0.2 C(\C=C\Cl)O CHEBI:23120 [1,1,0,0,0,0|2,0,0]=4 773 B4R0.2 C(\C=C\Cl)O CHEBI:28960 [1,1,0,0,0,0|2,0,0]=4 774 B4R0.2 CCCC=O CHEBI:15743 [1,1,0,0,0,0|1,0,0]=3 775 B4R0.2 CCCCC CHEBI:37830 [1,1,0,0,0,0|1,0,1]=4 776 B4R0.2 CCCCN CHEBI:43799 [1,1,0,0,0,0|1,0,1]=4 777 B4R0.2 CCCCO CHEBI:28885 [1,1,0,0,0,0|1,0,1]=4 778 B4R0.2 CCCC[SnH3] CHEBI:22966 [1,1,0,0,0,0|1,0,1]=4 779 B4R0.2 CCN=C=O CHEBI:85107 [1,1,0,0,0,0|1,0,1]=4 780 B4R0.2 CCNCC CHEBI:85259 [1,1,0,0,0,0|1,0,1]=4 781 B4R0.2 CCOC=O CHEBI:52342 [1,1,0,0,0,0|0,0,0]=2 782 B4R0.2 CCOCC CHEBI:35702 [1,1,0,0,0,0|0,0,1]=3 783 B4R0.2 CCSCC CHEBI:27710 [1,1,0,0,0,0|0,1,1]=4 784 B4R0.2 CCSCS CHEBI:38829 [1,1,0,0,0,0|0,1,1]=4 785 B4R0.2 CC[NH2+]CC CHEBI:132181 [1,1,0,0,0,0|1,0,1]=4 786 B4R0.2 CC[Zn]CC CHEBI:51496 [1,1,0,0,0,0|1,0,1]=4 787 B4R0.2 CNCCO CHEBI:21763 [1,1,0,0,0,0|1,0,1]=4 788 B4R0.2 COCCO CHEBI:46790 [1,1,0,0,0,0|0,0,1]=3 789 B4R0.2 COCOC CHEBI:48341 [1,1,0,0,0,0|0,0,1]=3 790 B4R0.2 CSCCO CHEBI:63861 [1,1,0,0,0,0|0,1,1]=4 791 B4R0.2 C\C=C\C=C CHEBI:74165 [1,1,0,0,0,0|1,0,1]=4 792 B4R0.2 C\C=C\C=O CHEBI:41607 [1,1,0,0,0,0|1,0,0]=3 793 B4R0.2 C\C=C\CO CHEBI:62891 [1,1,0,0,0,0|1,0,0]=3 794 B4R0.2 N(=O)ON=O CHEBI:29800 [1,1,0,0,0,0|2,0,0]=4 795 B4R0.2 O=[Cr]O[Cr]=O CHEBI:48242 [1,1,0,0,0,0|2,0,0]=4 796 B4R0.2 O=[Fe]O[Fe]=O CHEBI:50819 [1,1,0,0,0,0|2,0,0]=4 797 B4R0.2 O=[Ti]O[Ti]=O CHEBI:134436 [1,1,0,0,0,0|2,0,0]=4 798 B4R0.2 O=[Ti]O[Ti]=O CHEBI:134440 [1,1,0,0,0,0|2,0,0]=4 799 B4R0.2 [*]C#CC=O CHEBI:51720 [1,1,0,0,0,0|1,0,1]=4 800 B4R0.2 [*]CCC=O CHEBI:84587 [1,1,0,0,0,0|1,0,0]=3 801 B4R0.2 [Li]CCCC CHEBI:51469 [1,1,0,0,0,0|1,0,1]=4 802 B4R0.3 CC(C)(C)C CHEBI:30358 [1,1,0,0,0,0|1,0,1]=4 803 B4R0.3 CC(C)(C)N CHEBI:44639 [1,1,0,0,0,0|1,0,1]=4 804 B4R0.3 CC(C)(C)O CHEBI:45895 [1,1,0,0,0,0|0,0,2]=4 805 B4R0.3 CC(C)(C)[NH3+] CHEBI:224366 [1,1,0,0,0,0|1,0,1]=4 806 B4R0.3 CP(=O)(C)O CHEBI:23814 [1,1,0,0,0,0|1,0,0]=3 807 B4R0.3 CP(=O)(O)O CHEBI:45129 [1,1,0,0,0,0|1,0,0]=3 808 B4R0.3 CP(=O)(O)[O-] CHEBI:68684 [1,1,0,0,0,0|1,0,0]=3 809 B4R0.3 CP(=O)([O-])[O-] CHEBI:68822 [1,1,0,0,0,0|1,0,1]=4 810 B4R0.3 CS(=O)(=O)C CHEBI:9349 [1,1,0,0,0,0|1,0,0]=3 811 B4R0.3 CS(=O)(=O)O CHEBI:27376 [1,1,0,0,0,0|1,0,0]=3 812 B4R0.3 CS(=O)(=O)[O-] CHEBI:25224 [1,1,0,0,0,0|1,0,1]=4 813 B4R0.3 CS(=O)(=O)[O-] CHEBI:63881 [1,1,0,0,0,0|1,0,1]=4 814 B4R0.3 C[As](=O)(C)C CHEBI:27131 [1,1,0,0,0,0|1,0,0]=3 815 B4R0.3 C[As](=O)(C)O CHEBI:48765 [1,1,0,0,0,0|1,0,0]=3 816 B4R0.3 C[As](=O)(C)[O-] CHEBI:16223 [1,1,0,0,0,0|1,0,0]=3 817 B4R0.3 C[As](=O)(C)[O-] CHEBI:62956 [1,1,0,0,0,0|1,0,0]=3 818 B4R0.3 C[As](=O)(O)O CHEBI:29852 [1,1,0,0,0,0|1,0,0]=3 819 B4R0.3 C[As](=O)(O)[O-] CHEBI:33409 [1,1,0,0,0,0|1,0,0]=3 820 B4R0.3 C[As](=O)([O-])[O-] CHEBI:16005 [1,1,0,0,0,0|1,0,1]=4 821 B4R0.3 C[N+](C)(C)C CHEBI:46020 [1,1,0,0,0,0|2,0,0]=4 822 B4R0.3 C[N+](C)(C)C CHEBI:55317 [1,1,0,0,0,0|2,0,0]=4 823 B4R0.3 C[N+](C)(C)[O-] CHEBI:15724 [1,1,0,0,0,0|1,0,1]=4 824 B4R0.3 C[Pb](C)(C)C CHEBI:30183 [1,1,0,0,0,0|2,0,0]=4 825 B4R0.3 C[Si](C)(C)C CHEBI:85361 [1,1,0,0,0,0|1,1,0]=4 826 B4R0.3 C[Si](C)(C)Cl CHEBI:85069 [1,1,0,0,0,0|1,1,0]=4 827 B4R0.3 C[Si](C)(O)O CHEBI:23816 [1,1,0,0,0,0|0,1,1]=4 828 B4R0.3 C[Si](O)(O)O CHEBI:25342 [1,1,0,0,0,0|0,1,1]=4 829 B4R0.3 C[Sn](C)(C)C CHEBI:30420 [1,1,0,0,0,0|2,0,0]=4 830 B4R0.3 C[Te](=O)(=O)O CHEBI:70755 [1,1,0,0,0,0|1,0,0]=3 831 B4R0.3 C[Te](=O)(=O)[O-] CHEBI:71624 [1,1,0,0,0,0|1,0,1]=4 832 B4R0.3 C[Te](C)(Cl)Cl CHEBI:30471 [1,1,0,0,0,0|2,0,0]=4 833 B4R0.3 NP(=O)(O)O CHEBI:15907 [1,1,0,0,0,0|2,0,0]=4 834 B4R0.3 NS(=O)(=O)O CHEBI:9330 [1,1,0,0,0,0|2,0,0]=4 835 B4R0.3 OBr(=O)(=O)=O CHEBI:29245 [1,1,0,0,0,0|2,0,0]=4 836 B4R0.3 OCl(=O)(=O)=O CHEBI:29221 [1,1,0,0,0,0|2,0,0]=4 837 B4R0.3 OI(=O)(=O)=O CHEBI:29149 [1,1,0,0,0,0|2,0,0]=4 838 B4R0.3 OP(=O)(O)F CHEBI:30210 [1,1,0,0,0,0|2,0,0]=4 839 B4R0.3 OP(=O)(O)O CHEBI:26078 [1,1,0,0,0,0|2,0,0]=4 840 B4R0.3 OP(=O)(O)O CHEBI:52641 [1,1,0,0,0,0|2,0,0]=4 841 B4R0.3 OP(=O)(O)S CHEBI:46613 [1,1,0,0,0,0|2,0,0]=4 842 B4R0.3 OP(=O)(O)[O-] CHEBI:114249 [1,1,0,0,0,0|2,0,0]=4 843 B4R0.3 OP(=O)(O)[O-] CHEBI:35433 [1,1,0,0,0,0|2,0,0]=4 844 B4R0.3 OP(=O)(O)[O-] CHEBI:37585 [1,1,0,0,0,0|2,0,0]=4 845 B4R0.3 OP(=O)(O)[O-] CHEBI:39745 [1,1,0,0,0,0|2,0,0]=4 846 B4R0.3 OP(=O)(O)[O-] CHEBI:62982 [1,1,0,0,0,0|2,0,0]=4 847 B4R0.3 OP(=O)(O)[O-] CHEBI:63036 [1,1,0,0,0,0|2,0,0]=4 848 B4R0.3 OP(=O)(O)[O] CHEBI:29931 [1,1,0,0,0,0|2,0,0]=4 849 B4R0.3 OP(=O)(O)[SeH] CHEBI:64331 [1,1,0,0,0,0|2,0,0]=4 850 B4R0.3 OP(=O)([O-])[O-] CHEBI:131527 [1,1,0,0,0,0|2,0,0]=4 851 B4R0.3 OP(=O)([O-])[O-] CHEBI:16838 [1,1,0,0,0,0|2,0,0]=4 852 B4R0.3 OP(=O)([O-])[O-] CHEBI:32596 [1,1,0,0,0,0|2,0,0]=4 853 B4R0.3 OP(=O)([O-])[O-] CHEBI:34683 [1,1,0,0,0,0|2,0,0]=4 854 B4R0.3 OP(=O)([O-])[O-] CHEBI:43474 [1,1,0,0,0,0|2,0,0]=4 855 B4R0.3 OP(=O)([O-])[O-] CHEBI:4496 [1,1,0,0,0,0|2,0,0]=4 856 B4R0.3 OP(=O)([O-])[O-] CHEBI:63051 [1,1,0,0,0,0|2,0,0]=4 857 B4R0.3 OP(=O)([O-])[O-] CHEBI:91258 [1,1,0,0,0,0|2,0,0]=4 858 B4R0.3 OP(=O)([O-])[O-] CHEBI:91259 [1,1,0,0,0,0|2,0,0]=4 859 B4R0.3 OP(=O)([O-])[O] CHEBI:29925 [1,1,0,0,0,0|2,0,0]=4 860 B4R0.3 OS(=O)(=O)O CHEBI:26836 [1,1,0,0,0,0|2,0,0]=4 861 B4R0.3 OS(=O)(=O)S CHEBI:5587 [1,1,0,0,0,0|2,0,0]=4 862 B4R0.3 OS(=O)(=O)[O-] CHEBI:45696 [1,1,0,0,0,0|2,0,0]=4 863 B4R0.3 OS(=O)(=O)[O] CHEBI:29407 [1,1,0,0,0,0|2,0,0]=4 864 B4R0.3 OS(=O)(=O)[S-] CHEBI:33539 [1,1,0,0,0,0|2,0,0]=4 865 B4R0.3 OS(=O)(=S)O CHEBI:29279 [1,1,0,0,0,0|2,0,0]=4 866 B4R0.3 O[As](=O)(O)O CHEBI:18231 [1,1,0,0,0,0|2,0,0]=4 867 B4R0.3 O[As](=O)(O)[O-] CHEBI:48600 [1,1,0,0,0,0|2,0,0]=4 868 B4R0.3 O[As](=O)(O)[O-] CHEBI:77719 [1,1,0,0,0,0|2,0,0]=4 869 B4R0.3 O[As](=O)([O-])[O-] CHEBI:48597 [1,1,0,0,0,0|2,0,0]=4 870 B4R0.3 O[As](=O)([O-])[O-] CHEBI:91256 [1,1,0,0,0,0|2,0,0]=4 871 B4R0.3 O[As](=O)([O-])[O-] CHEBI:91257 [1,1,0,0,0,0|2,0,0]=4 872 B4R0.3 O[Cr](=O)(=O)O CHEBI:33143 [1,1,0,0,0,0|2,0,0]=4 873 B4R0.3 O[Cr](=O)(=O)[O-] CHEBI:33144 [1,1,0,0,0,0|2,0,0]=4 874 B4R0.3 O[Mn](=O)(=O)=O CHEBI:35124 [1,1,0,0,0,0|2,0,0]=4 875 B4R0.3 O[Mn](=O)(=O)O CHEBI:35119 [1,1,0,0,0,0|2,0,0]=4 876 B4R0.3 O[Mn](=O)(=O)[O-] CHEBI:35123 [1,1,0,0,0,0|2,0,0]=4 877 B4R0.3 O[Mn](=O)(O)O CHEBI:35125 [1,1,0,0,0,0|2,0,0]=4 878 B4R0.3 O[Mn](=O)(O)[O-] CHEBI:35126 [1,1,0,0,0,0|2,0,0]=4 879 B4R0.3 O[Mn](=O)([O-])[O-] CHEBI:35127 [1,1,0,0,0,0|2,0,0]=4 880 B4R0.3 O[Mo](=O)(=O)O CHEBI:25371 [1,1,0,0,0,0|2,0,0]=4 881 B4R0.3 O[Mo](=O)(=O)[O-] CHEBI:36263 [1,1,0,0,0,0|2,0,0]=4 882 B4R0.3 O[Sb](=O)(O)O CHEBI:30294 [1,1,0,0,0,0|2,0,0]=4 883 B4R0.3 O[Sb](=O)(O)[O-] CHEBI:36923 [1,1,0,0,0,0|2,0,0]=4 884 B4R0.3 O[Sb](=O)([O-])[O-] CHEBI:36924 [1,1,0,0,0,0|2,0,0]=4 885 B4R0.3 O[Se](=O)(=O)O CHEBI:18170 [1,1,0,0,0,0|2,0,0]=4 886 B4R0.3 O[Se](=O)(=O)[O-] CHEBI:33490 [1,1,0,0,0,0|2,0,0]=4 887 B4R0.3 O[Te](=O)(=O)O CHEBI:30463 [1,1,0,0,0,0|2,0,0]=4 888 B4R0.3 O[Te](=O)(=O)[O-] CHEBI:36287 [1,1,0,0,0,0|2,0,0]=4 889 B4R0.3 O[V](=O)(O)O CHEBI:27273 [1,1,0,0,0,0|2,0,0]=4 890 B4R0.3 O[V](=O)(O)[O-] CHEBI:35169 [1,1,0,0,0,0|2,0,0]=4 891 B4R0.3 O[V](=O)([O-])[O-] CHEBI:35168 [1,1,0,0,0,0|2,0,0]=4 892 B4R0.3 O[W](=O)(=O)O CHEBI:36272 [1,1,0,0,0,0|2,0,0]=4 893 B4R0.3 O[W](=O)(=O)[O-] CHEBI:36271 [1,1,0,0,0,0|2,0,0]=4 894 B6R0.1 C(=C/N)/C(=O)OO CHEBI:59892 [0,2,0,0,0,0|1,0,1]=4 895 B6R0.1 C=C(CCO)CO CHEBI:131368 [0,2,0,0,0,0|2,0,0]=4 896 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,2,0,0,0,0|1,0,1]=4 897 B6R0.1 CCC(=O)OCC CHEBI:41330 [0,2,0,0,0,0|0,0,0]=2 898 B6R0.1 CCOC(=O)C#C CHEBI:51740 [0,2,0,0,0,0|0,0,1]=3 899 B6R0.1 CCOC(=O)C=O CHEBI:53275 [0,2,0,0,0,0|0,0,1]=3 900 B6R0.1 CCS(=O)CCO CHEBI:38736 [0,2,0,0,0,0|2,0,0]=4 901 B6R0.1 COC(=O)CC#N CHEBI:51928 [0,2,0,0,0,0|0,0,0]=2 902 B6R0.1 COCC(=O)CO CHEBI:37551 [0,2,0,0,0,0|0,0,0]=2 903 B6R0.1 C\C(=C\C=O)\CO CHEBI:133364 [0,2,0,0,0,0|2,0,0]=4 904 B6R0.1 C\C=N\N(C)C=O CHEBI:5583 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.1 [*]C#CC(=O)O[*] CHEBI:51743 [0,2,0,0,0,0|1,0,1]=4 906 B6R0.2 C(=O)(O)OC(=O)O CHEBI:48501 [0,2,0,0,0,0|1,0,1]=4 907 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [0,2,0,0,0,0|2,0,0]=4 908 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [0,2,0,0,0,0|1,0,0]=3 909 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [0,2,0,0,0,0|1,0,1]=4 910 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,2,0,0,0,0|1,0,1]=4 911 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [0,2,0,0,0,0|1,0,1]=4 912 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [0,2,0,0,0,0|0,0,0]=2 913 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [0,2,0,0,0,0|1,0,0]=3 914 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,2,0,0,0,0|2,0,0]=4 915 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,2,0,0,0,0|2,0,0]=4 916 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,2,0,0,0,0|2,0,0]=4 917 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,2,0,0,0,0|2,0,0]=4 918 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,2,0,0,0,0|2,0,0]=4 919 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,2,0,0,0,0|2,0,0]=4 920 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,2,0,0,0,0|2,0,0]=4 921 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,2,0,0,0,0|2,0,0]=4 922 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,2,0,0,0,0|2,0,0]=4 923 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,2,0,0,0,0|2,0,0]=4 924 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,2,0,0,0,0|2,0,0]=4 925 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,2,0,0,0,0|2,0,0]=4 926 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [0,2,0,0,0,0|2,0,0]=4 927 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,2,0,0,0,0|1,1,0]=4 928 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [0,2,0,0,0,0|1,1,0]=4 929 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [0,2,0,0,0,0|1,0,0]=3 930 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [0,2,0,0,0,0|1,0,0]=3 931 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [0,2,0,0,0,0|1,0,0]=3 932 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [0,2,0,0,0,0|1,0,0]=3 933 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,2,0,0,0,0|2,0,0]=4 934 B6R0.3 C(C(=O)C(=O)O)Br CHEBI:131461 [0,2,0,0,0,0|2,0,0]=4 935 B6R0.3 C(C(=O)C(=O)O)F CHEBI:55521 [0,2,0,0,0,0|2,0,0]=4 936 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [0,2,0,0,0,0|2,0,0]=4 937 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [0,2,0,0,0,0|2,0,0]=4 938 B6R0.3 C(C(=O)C(=O)[O-])Br CHEBI:131592 [0,2,0,0,0,0|2,0,0]=4 939 B6R0.3 C(C(=O)C(=O)[O-])F CHEBI:55522 [0,2,0,0,0,0|2,0,0]=4 940 B6R0.3 C(C(=O)C(=O)[O-])O CHEBI:17180 [0,2,0,0,0,0|2,0,0]=4 941 B6R0.3 C(C(=O)C(=O)[O-])S CHEBI:57678 [0,2,0,0,0,0|2,0,0]=4 942 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,2,0,0,0,0|2,0,0]=4 943 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,2,0,0,0,0|2,0,0]=4 944 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,2,0,0,0,0|2,0,0]=4 945 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,2,0,0,0,0|2,0,0]=4 946 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,2,0,0,0,0|2,0,0]=4 947 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,2,0,0,0,0|2,0,0]=4 948 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,2,0,0,0,0|2,0,0]=4 949 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,2,0,0,0,0|2,0,0]=4 950 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,2,0,0,0,0|2,0,0]=4 951 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,2,0,0,0,0|2,0,0]=4 952 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,2,0,0,0,0|2,0,0]=4 953 B6R0.3 C(C(C(=O)[O-])N)N CHEBI:49983 [0,2,0,0,0,0|2,0,0]=4 954 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,2,0,0,0,0|2,0,0]=4 955 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [0,2,0,0,0,0|2,0,0]=4 956 B6R0.3 C(C(C(=O)[O-])N)[NH3+] CHEBI:58468 [0,2,0,0,0,0|2,0,0]=4 957 B6R0.3 C(C(C(=O)[O-])N)[S-] CHEBI:32457 [0,2,0,0,0,0|2,0,0]=4 958 B6R0.3 C(C(C(=O)[O-])N)[Se-] CHEBI:32753 [0,2,0,0,0,0|2,0,0]=4 959 B6R0.3 C(C(C(=O)[O-])N)[SeH] CHEBI:32752 [0,2,0,0,0,0|2,0,0]=4 960 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,2,0,0,0,0|2,0,0]=4 961 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,2,0,0,0,0|2,0,0]=4 962 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,2,0,0,0,0|2,0,0]=4 963 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [0,2,0,0,0,0|2,0,0]=4 964 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,2,0,0,0,0|2,0,0]=4 965 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,2,0,0,0,0|2,0,0]=4 966 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,2,0,0,0,0|2,0,0]=4 967 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,2,0,0,0,0|2,0,0]=4 968 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,2,0,0,0,0|2,0,0]=4 969 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,2,0,0,0,0|2,0,0]=4 970 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,2,0,0,0,0|2,0,0]=4 971 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,2,0,0,0,0|2,0,0]=4 972 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,2,0,0,0,0|2,0,0]=4 973 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,2,0,0,0,0|2,0,0]=4 974 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,2,0,0,0,0|2,0,0]=4 975 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,2,0,0,0,0|2,0,0]=4 976 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,2,0,0,0,0|2,0,0]=4 977 B6R0.3 C([C@@H](C(=O)[O-])N)N CHEBI:13043 [0,2,0,0,0,0|2,0,0]=4 978 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,2,0,0,0,0|2,0,0]=4 979 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [0,2,0,0,0,0|2,0,0]=4 980 B6R0.3 C([C@@H](C(=O)[O-])N)[NH3+] CHEBI:57721 [0,2,0,0,0,0|2,0,0]=4 981 B6R0.3 C([C@@H](C(=O)[O-])N)[S-] CHEBI:32443 [0,2,0,0,0,0|2,0,0]=4 982 B6R0.3 C([C@@H](C(=O)[O-])N)[Se-] CHEBI:32743 [0,2,0,0,0,0|2,0,0]=4 983 B6R0.3 C([C@@H](C(=O)[O-])N)[SeH] CHEBI:32742 [0,2,0,0,0,0|2,0,0]=4 984 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])Cl CHEBI:58132 [0,2,0,0,0,0|2,0,0]=4 985 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,2,0,0,0,0|2,0,0]=4 986 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [0,2,0,0,0,0|2,0,0]=4 987 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:84374 [0,2,0,0,0,0|2,0,0]=4 988 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[SeH] CHEBI:57843 [0,2,0,0,0,0|2,0,0]=4 989 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,2,0,0,0,0|2,0,0]=4 990 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,2,0,0,0,0|2,0,0]=4 991 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,2,0,0,0,0|2,0,0]=4 992 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,2,0,0,0,0|2,0,0]=4 993 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,2,0,0,0,0|2,0,0]=4 994 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,2,0,0,0,0|2,0,0]=4 995 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,2,0,0,0,0|2,0,0]=4 996 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,2,0,0,0,0|2,0,0]=4 997 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,2,0,0,0,0|2,0,0]=4 998 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,2,0,0,0,0|2,0,0]=4 999 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,2,0,0,0,0|2,0,0]=4 1000 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [0,2,0,0,0,0|2,0,0]=4 1001 B6R0.3 C([C@H](C(=O)[O-])N)[S-] CHEBI:32450 [0,2,0,0,0,0|2,0,0]=4 1002 B6R0.3 C([C@H](C(=O)[O-])N)[Se-] CHEBI:32750 [0,2,0,0,0,0|2,0,0]=4 1003 B6R0.3 C([C@H](C(=O)[O-])N)[SeH] CHEBI:32747 [0,2,0,0,0,0|2,0,0]=4 1004 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [0,2,0,0,0,0|2,0,0]=4 1005 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,2,0,0,0,0|2,0,0]=4 1006 B6R0.3 C([C@H](C(=O)[O-])[NH3+])Cl CHEBI:47291 [0,2,0,0,0,0|2,0,0]=4 1007 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,2,0,0,0,0|2,0,0]=4 1008 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [0,2,0,0,0,0|2,0,0]=4 1009 B6R0.3 CC(=C)C(=O)OC CHEBI:34840 [0,2,0,0,0,0|0,0,0]=2 1010 B6R0.3 CC(=O)C(=O)OC CHEBI:51850 [0,2,0,0,0,0|0,0,0]=2 1011 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [0,2,0,0,0,0|1,0,0]=3 1012 B6R0.3 CC(C(=O)OC)O CHEBI:83221 [0,2,0,0,0,0|0,0,0]=2 1013 B6R0.3 CC(C)C(=O)OC CHEBI:73689 [0,2,0,0,0,0|0,0,0]=2 1014 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,2,0,0,0,0|2,0,0]=4 1015 B6R0.3 CC(C=O)C(=O)[O-] CHEBI:57700 [0,2,0,0,0,0|2,0,0]=4 1016 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,2,0,0,0,0|2,0,0]=4 1017 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [0,2,0,0,0,0|2,0,0]=4 1018 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,2,0,0,0,0|2,0,0]=4 1019 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,2,0,0,0,0|2,0,0]=4 1020 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [0,2,0,0,0,0|1,0,1]=4 1021 B6R0.3 CCC(=C)C(=O)[O-] CHEBI:84979 [0,2,0,0,0,0|1,0,1]=4 1022 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [0,2,0,0,0,0|2,0,0]=4 1023 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [0,2,0,0,0,0|1,0,0]=3 1024 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [0,2,0,0,0,0|1,0,1]=4 1025 B6R0.3 CCC(=O)C(=O)[O-] CHEBI:16763 [0,2,0,0,0,0|1,0,1]=4 1026 B6R0.3 CCC(=[NH2+])C(=O)[O-] CHEBI:76545 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,2,0,0,0,0|2,0,0]=4 1028 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,2,0,0,0,0|2,0,0]=4 1029 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [0,2,0,0,0,0|2,0,0]=4 1030 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,2,0,0,0,0|2,0,0]=4 1031 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,2,0,0,0,0|1,0,1]=4 1032 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,2,0,0,0,0|1,0,1]=4 1033 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,2,0,0,0,0|1,0,1]=4 1034 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,2,0,0,0,0|2,0,0]=4 1035 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,2,0,0,0,0|2,0,0]=4 1036 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [0,2,0,0,0,0|2,0,0]=4 1037 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,2,0,0,0,0|2,0,0]=4 1038 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [0,2,0,0,0,0|2,0,0]=4 1039 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,2,0,0,0,0|1,0,1]=4 1040 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,2,0,0,0,0|2,0,0]=4 1041 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,2,0,0,0,0|2,0,0]=4 1042 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,2,0,0,0,0|1,0,1]=4 1043 B6R0.3 CN(C(=O)N)N=O CHEBI:50102 [0,2,0,0,0,0|2,0,0]=4 1044 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,2,0,0,0,0|1,0,1]=4 1045 B6R0.3 C[C@@H](C(=O)OC)O CHEBI:83222 [0,2,0,0,0,0|0,0,0]=2 1046 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [0,2,0,0,0,0|1,0,1]=4 1047 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,2,0,0,0,0|2,0,0]=4 1048 B6R0.3 C[C@@H](C=O)C(=O)[O-] CHEBI:62413 [0,2,0,0,0,0|2,0,0]=4 1049 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,2,0,0,0,0|2,0,0]=4 1050 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [0,2,0,0,0,0|2,0,0]=4 1051 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,2,0,0,0,0|2,0,0]=4 1052 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,2,0,0,0,0|2,0,0]=4 1053 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [0,2,0,0,0,0|2,0,0]=4 1054 B6R0.3 C[C@H](C(=O)OC)O CHEBI:74611 [0,2,0,0,0,0|0,0,0]=2 1055 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,2,0,0,0,0|2,0,0]=4 1056 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [0,2,0,0,0,0|2,0,0]=4 1057 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [0,2,0,0,0,0|2,0,0]=4 1058 B6R0.3 C\C(=N\O)\C(=O)O CHEBI:15730 [0,2,0,0,0,0|2,0,0]=4 1059 B6R0.3 C\C(=N\O)\C(=O)[O-] CHEBI:57487 [0,2,0,0,0,0|2,0,0]=4 1060 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [0,2,0,0,0,0|1,0,0]=3 1061 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [0,2,0,0,0,0|1,0,0]=3 1062 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [0,2,0,0,0,0|2,0,0]=4 1063 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [0,2,0,0,0,0|2,0,0]=4 1064 B6R0.3 C\C=C(\C(=O)[O-])/N CHEBI:58739 [0,2,0,0,0,0|2,0,0]=4 1065 B6R0.3 C\C=C(\C(=O)[O-])/[NH3+] CHEBI:48306 [0,2,0,0,0,0|2,0,0]=4 1066 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [0,2,0,0,0,0|1,0,0]=3 1067 B6R0.3 [*]OC(=O)C([*])N CHEBI:46874 [0,2,0,0,0,0|1,0,0]=3 1068 B6R0.4 C(=O)(O)OON=O CHEBI:62750 [0,2,0,0,0,0|2,0,0]=4 1069 B6R0.4 C(=O)([O-])OON=O CHEBI:62726 [0,2,0,0,0,0|2,0,0]=4 1070 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [0,2,0,0,0,0|2,0,0]=4 1071 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [0,2,0,0,0,0|2,0,0]=4 1072 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [0,2,0,0,0,0|2,0,0]=4 1073 B6R0.4 C(CC(=O)[O-])C=O CHEBI:57706 [0,2,0,0,0,0|2,0,0]=4 1074 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [0,2,0,0,0,0|2,0,0]=4 1075 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [0,2,0,0,0,0|2,0,0]=4 1076 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [0,2,0,0,0,0|2,0,0]=4 1077 B6R0.4 C(COS(=O)=O)O CHEBI:131362 [0,2,0,0,0,0|2,0,0]=4 1078 B6R0.4 C=CCCC(=O)O CHEBI:35936 [0,2,0,0,0,0|2,0,0]=4 1079 B6R0.4 C=CCCC(=O)[O-] CHEBI:35935 [0,2,0,0,0,0|2,0,0]=4 1080 B6R0.4 CC(=CCCN)C CHEBI:87502 [0,2,0,0,0,0|2,0,0]=4 1081 B6R0.4 CC(=O)CCC=O CHEBI:87363 [0,2,0,0,0,0|1,0,0]=3 1082 B6R0.4 CC(=O)NCCO CHEBI:74687 [0,2,0,0,0,0|1,0,0]=3 1083 B6R0.4 CC(=O)NCCS CHEBI:74410 [0,2,0,0,0,0|1,0,0]=3 1084 B6R0.4 CC(=O)SCCN CHEBI:17853 [0,2,0,0,0,0|0,1,0]=3 1085 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [0,2,0,0,0,0|0,1,0]=3 1086 B6R0.4 CC(C)\C=N\OC CHEBI:16616 [0,2,0,0,0,0|1,0,1]=4 1087 B6R0.4 CC(C)\C=N\OC CHEBI:35961 [0,2,0,0,0,0|1,0,1]=4 1088 B6R0.4 CCCCC(=O)N CHEBI:16459 [0,2,0,0,0,0|2,0,0]=4 1089 B6R0.4 CCCCC(=O)O CHEBI:17418 [0,2,0,0,0,0|2,0,0]=4 1090 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [0,2,0,0,0,0|2,0,0]=4 1091 B6R0.4 CCCOC(=O)C CHEBI:40116 [0,2,0,0,0,0|0,0,0]=2 1092 B6R0.4 CCNCC(=O)O CHEBI:15620 [0,2,0,0,0,0|2,0,0]=4 1093 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [0,2,0,0,0,0|2,0,0]=4 1094 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [0,2,0,0,0,0|2,0,0]=4 1095 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [0,2,0,0,0,0|2,0,0]=4 1096 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [0,2,0,0,0,0|2,0,0]=4 1097 B6R0.4 CSCCC(=O)O CHEBI:1438 [0,2,0,0,0,0|1,1,0]=4 1098 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [0,2,0,0,0,0|1,1,0]=4 1099 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [0,2,0,0,0,0|2,0,0]=4 1100 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [0,2,0,0,0,0|2,0,0]=4 1101 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [0,2,0,0,0,0|2,0,0]=4 1102 B6R0.4 [*]C(=O)NCCO CHEBI:85281 [0,2,0,0,0,0|2,0,0]=4 1103 B6R0.5 CCOP(=O)(O)O CHEBI:42383 [0,2,0,0,0,0|2,0,0]=4 1104 B6R0.5 CCOP(=O)(O)[O-] CHEBI:59759 [0,2,0,0,0,0|2,0,0]=4 1105 B6R0.5 CCOP(=O)([O-])[O-] CHEBI:59760 [0,2,0,0,0,0|2,0,0]=4 1106 B6R0.5 CCOS(=O)(=O)C CHEBI:23994 [0,2,0,0,0,0|1,0,0]=3 1107 B6R0.8 CNS(=O)(=O)OC CHEBI:51873 [0,2,0,0,0,0|1,0,0]=3 1108 B6R0.8 COP(=O)(N)SC CHEBI:38721 [0,2,0,0,0,0|1,0,0]=3 1109 B6R0.8 COS(=O)(=O)OC CHEBI:59050 [0,2,0,0,0,0|1,0,0]=3 1110 B6R0.9 B(C#C)(OC)OC CHEBI:50983 [0,2,0,0,0,0|2,0,0]=4 1111 B6R0.9 B(C=C)(OC)OC CHEBI:50984 [0,2,0,0,0,0|2,0,0]=4 1112 B6R0.9 B(OC)(OC)OC CHEBI:38913 [0,2,0,0,0,0|1,0,1]=4 1113 B6R0.9 CCN(CC)N=O CHEBI:34873 [0,2,0,0,0,0|2,0,0]=4 1114 B6R0.7 CC(C)(C(=O)O)N CHEBI:27971 [0,2,0,0,0,0|2,0,0]=4 1115 B6R0.7 CC(C)(C(=O)O)O CHEBI:50129 [0,2,0,0,0,0|2,0,0]=4 1116 B6R0.7 CC(C)(C(=O)[O-])O CHEBI:19641 [0,2,0,0,0,0|2,0,0]=4 1117 B6R0.7 CC(C)(C)C(=O)O CHEBI:45133 [0,2,0,0,0,0|2,0,0]=4 1118 B6R0.7 CC(C)(C)C(=O)[O-] CHEBI:63883 [0,2,0,0,0,0|2,0,0]=4 1119 B6R0.7 CC(C)(C)C(=O)[O-] CHEBI:63894 [0,2,0,0,0,0|2,0,0]=4 1120 B4R1.1 C1C=CO1 CHEBI:51195 [1,0,0,1,0,0|0,0,1]=3 1121 B4R1.1 C1CC=C1 CHEBI:51206 [1,0,0,1,0,0|1,0,0]=3 1122 B4R1.1 C1CCC1 CHEBI:30377 [1,0,0,1,0,0|1,0,1]=4 1123 B4R1.1 C1CNC1 CHEBI:30968 [1,0,0,1,0,0|1,0,1]=4 1124 B4R1.1 C1COC1 CHEBI:30965 [1,0,0,1,0,0|0,0,1]=3 1125 B4R1.1 C1CSC1 CHEBI:87565 [1,0,0,1,0,0|0,1,1]=4 1126 B4R1.2 C1C(O1)Cl CHEBI:29129 [1,0,0,1,0,0|1,0,1]=4 1127 B4R1.2 CC1=CC1 CHEBI:132592 [1,0,0,1,0,0|1,0,0]=3 1128 B4R1.2 CC1CO1 CHEBI:38685 [1,0,0,1,0,0|0,0,1]=3 1129 B4R1.2 C[C@@H]1CO1 CHEBI:28985 [1,0,0,1,0,0|0,0,1]=3 1130 B4R1.2 C[C@H]1CO1 CHEBI:28982 [1,0,0,1,0,0|0,0,1]=3 1131 B6R1.2 C1C(=O)N=CN1 CHEBI:51023 [0,1,0,1,0,0|1,0,1]=4 1132 B6R1.2 C1C(=O)NC=N1 CHEBI:28470 [0,1,0,1,0,0|1,0,1]=4 1133 B6R1.2 C1C=CC(=O)O1 CHEBI:38118 [0,1,0,1,0,0|0,0,1]=3 1134 B6R1.2 C1C=COC1=O CHEBI:38120 [0,1,0,1,0,0|0,0,1]=3 1135 B6R1.2 C1CC(=O)NC1 CHEBI:36592 [0,1,0,1,0,0|1,0,0]=3 1136 B6R1.2 C1CC(=O)OC1 CHEBI:42639 [0,1,0,1,0,0|0,0,0]=2 1137 B6R1.2 C1CC(OC1)O CHEBI:19662 [0,1,0,1,0,0|0,0,2]=4 1138 B6R1.2 C1CCC(=O)C1 CHEBI:16486 [0,1,0,1,0,0|1,0,0]=3 1139 B6R1.2 C1CNC(=O)N1 CHEBI:37001 [0,1,0,1,0,0|1,0,0]=3 1140 B6R1.2 C1COC(=O)N1 CHEBI:1237 [0,1,0,1,0,0|0,0,0]=2 1141 B6R1.2 C1CSC(=N1)N CHEBI:40889 [0,1,0,1,0,0|1,1,0]=4 1142 B6R1.2 CC1=CCCO1 CHEBI:51677 [0,1,0,1,0,0|1,0,0]=3 1143 B6R1.2 CC1=COCC1 CHEBI:51678 [0,1,0,1,0,0|1,0,0]=3 1144 B6R1.2 CC1=NCCC1 CHEBI:78856 [0,1,0,1,0,0|2,0,0]=4 1145 B6R1.2 CC1=NCCO1 CHEBI:53614 [0,1,0,1,0,0|1,0,0]=3 1146 B6R1.2 CC1=[NH+]CCC1 CHEBI:78220 [0,1,0,1,0,0|2,0,0]=4 1147 B6R1.2 c1c[nH]oc1=O CHEBI:76851 [0,1,0,1,0,0|0,0,2]=4 1148 B6R1.11 C1CC1C(=O)N CHEBI:51457 [0,1,0,1,0,0|2,0,0]=4 1149 B6R1.11 C1CC1C(=O)O CHEBI:23500 [0,1,0,1,0,0|2,0,0]=4 1150 B6R1.11 C1CC1C(=O)[O-] CHEBI:36128 [0,1,0,1,0,0|2,0,0]=4 1151 B6R1.7 C[C@]1(CO1)C=C CHEBI:131720 [0,1,0,1,0,0|1,0,1]=4