0 B4R0.1 C(=C(Cl)Cl)Cl CHEBI:16602 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C(=N)C(=O)O CHEBI:53647 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C(=N)C(=O)[O-] CHEBI:53664 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C(=O)C(=O)N CHEBI:59839 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C(=O)C(=O)O CHEBI:16891 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C(=O)C(=O)[O-] CHEBI:36655 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C(=O)C(=O)[O-] CHEBI:91251 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C(=[NH2+])C(=O)[O-] CHEBI:77846 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(C(Cl)Cl)Cl CHEBI:36018 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C=CC(=C)Cl CHEBI:39481 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C=CC(=O)N CHEBI:28619 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C=CC(=O)O CHEBI:18308 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C=CC(=O)[O-] CHEBI:37080 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C=C[N+](=O)[O-] CHEBI:51131 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 CC(=C)C=C CHEBI:35194 [0,0,0,0,0,0|1,0,2]=3 15 B4R0.1 CC(=NO)C CHEBI:15349 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 CC(=O)C#C CHEBI:48060 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 CC(=O)C=C CHEBI:48058 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC(=O)C=O CHEBI:17158 [0,0,0,0,0,0|1,0,1]=2 19 B4R0.1 CC(=O)CBr CHEBI:51845 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 CC(=O)CCl CHEBI:47220 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 CC(=O)CN CHEBI:17906 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 CC(=O)CO CHEBI:27957 [0,0,0,0,0,0|1,0,3]=4 23 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 CC(=O)NC CHEBI:87321 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 CC(=O)NN CHEBI:2422 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 CC(=O)NO CHEBI:27777 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 CC(=O)OC CHEBI:77700 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 CC(=O)SC CHEBI:51280 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 CC(=S)OC CHEBI:51281 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 CC(C#N)N CHEBI:27959 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 CC(C)C#C CHEBI:87379 [0,0,0,0,0,0|1,0,1]=2 33 B4R0.1 CC(C)C=C CHEBI:77914 [0,0,0,0,0,0|1,0,0]=1 34 B4R0.1 CC(C)C=O CHEBI:48943 [0,0,0,0,0,0|0,0,0]=0 35 B4R0.1 CC(C)CN CHEBI:15997 [0,0,0,0,0,0|1,0,1]=2 36 B4R0.1 CC(C)CO CHEBI:46645 [0,0,0,0,0,0|0,0,2]=2 37 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [0,0,0,0,0,0|1,0,1]=2 38 B4R0.1 CC(C)OC CHEBI:53505 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.1 CC(C=O)O CHEBI:18419 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 CC(CCl)O CHEBI:76260 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 CC(CN)N CHEBI:30630 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 CC(CN)O CHEBI:19030 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 CC(CO)O CHEBI:16997 [0,0,0,0,0,0|1,0,2]=3 44 B4R0.1 CC=C(C)C CHEBI:77916 [0,0,0,0,0,0|1,0,1]=2 45 B4R0.1 CC=[N+]([O-])[O-] CHEBI:55327 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 CCC(=C)C CHEBI:77915 [0,0,0,0,0,0|1,0,3]=4 47 B4R0.1 CCC(=O)C CHEBI:28398 [0,0,0,0,0,0|2,0,2]=4 48 B4R0.1 CCC(=S)C CHEBI:36581 [0,0,0,0,0,0|2,0,2]=4 49 B4R0.1 CCC(C)C CHEBI:30362 [0,0,0,0,0,0|1,0,1]=2 50 B4R0.1 CCC(C)N CHEBI:74526 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 CCC(C)O CHEBI:35687 [0,0,0,0,0,0|2,0,1]=3 52 B4R0.1 CC[C@@H](C)O CHEBI:35686 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 CC[C@H](C)O CHEBI:45475 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 CN(C)C=O CHEBI:17741 [0,0,0,0,0,0|1,0,0]=1 55 B4R0.1 CN(C)N=O CHEBI:35807 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [0,0,0,0,0,0|1,0,0]=1 58 B4R0.1 C[C@@H](CO)N CHEBI:78502 [0,0,0,0,0,0|1,0,2]=3 59 B4R0.1 C[C@@H](CO)O CHEBI:29002 [0,0,0,0,0,0|1,0,2]=3 60 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [0,0,0,0,0,0|1,0,2]=3 61 B4R0.1 C[C@H](C#N)N CHEBI:50618 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 C[C@H](C=O)O CHEBI:17167 [0,0,0,0,0,0|1,0,0]=1 63 B4R0.1 C[C@H](CN)O CHEBI:15675 [0,0,0,0,0,0|2,0,1]=3 64 B4R0.1 C[C@H](CO)O CHEBI:28972 [0,0,0,0,0,0|1,0,2]=3 65 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [0,0,0,0,0,0|2,0,1]=3 66 B4R0.1 C\C(=N/O)\O CHEBI:49029 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 C\C(=N\N)\O CHEBI:48978 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 C\C=[N+](\O)/[O-] CHEBI:77894 [0,0,0,0,0,0|4,0,0]=4 69 B4R0.1 N(=O)N([O-])[O-] CHEBI:29801 [0,0,0,0,0,0|4,0,0]=4 70 B4R0.1 N(=O)[N+](=O)[O-] CHEBI:29799 [0,0,0,0,0,0|4,0,0]=4 71 B4R0.1 [*]C(=C=O)[*] CHEBI:48002 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.1 [*]N([*])N=O CHEBI:35803 [0,0,0,0,0,0|4,0,0]=4 73 B4R0.1 [*]SC(=O)C CHEBI:17093 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 [*][C@H](CO)O CHEBI:27636 [0,0,0,0,0,0|2,0,2]=4 75 B3R0.1 C#CC=O CHEBI:27976 [1,0,0,0,0,0|0,0,2]=3 76 B3R0.1 C#CCO CHEBI:28905 [1,0,0,0,0,0|2,0,1]=4 77 B3R0.1 C(=C/Cl)/Cl CHEBI:28805 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.1 C(=C/O)/O CHEBI:131198 [1,0,0,0,0,0|1,0,2]=4 79 B3R0.1 C(=C\Cl)/Cl CHEBI:18882 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.1 C(=C\Cl)/Cl CHEBI:29027 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.1 C(=O)C=O CHEBI:34779 [1,0,0,0,0,0|1,0,1]=3 82 B3R0.1 C(C=O)Cl CHEBI:27871 [1,0,0,0,0,0|1,0,0]=2 83 B3R0.1 C(C=O)F CHEBI:14272 [1,0,0,0,0,0|1,0,0]=2 84 B3R0.1 C(C=O)N CHEBI:17628 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.1 C(C=O)O CHEBI:17071 [1,0,0,0,0,0|1,0,0]=2 86 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [1,0,0,0,0,0|1,0,0]=2 87 B3R0.1 C(CBr)Br CHEBI:28534 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 C(CBr)Cl CHEBI:19032 [1,0,0,0,0,0|2,0,1]=4 89 B3R0.1 C(CCl)Cl CHEBI:27789 [1,0,0,0,0,0|2,0,1]=4 90 B3R0.1 C(CCl)O CHEBI:28200 [1,0,0,0,0,0|1,0,2]=4 91 B3R0.1 C(CN)N CHEBI:30346 [1,0,0,0,0,0|2,0,1]=4 92 B3R0.1 C(CN)N CHEBI:30347 [1,0,0,0,0,0|2,0,1]=4 93 B3R0.1 C(CN)N CHEBI:53626 [1,0,0,0,0,0|2,0,1]=4 94 B3R0.1 C(CO)N CHEBI:16000 [1,0,0,0,0,0|1,0,2]=4 95 B3R0.1 C(CO)O CHEBI:30742 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.1 C(CO)[NH3+] CHEBI:57603 [1,0,0,0,0,0|1,0,2]=4 97 B3R0.1 C(CO)[NH3+] CHEBI:63878 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.1 C(CS)N CHEBI:17141 [1,0,0,0,0,0|1,1,1]=4 99 B3R0.1 C(CS)O CHEBI:41218 [1,0,0,0,0,0|1,0,2]=4 100 B3R0.1 C(CS)[NH3+] CHEBI:58029 [1,0,0,0,0,0|1,1,1]=4 101 B3R0.1 C=CC#C CHEBI:48088 [1,0,0,0,0,0|1,0,2]=4 102 B3R0.1 C=CC#N CHEBI:28217 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.1 C=CC=C CHEBI:39478 [1,0,0,0,0,0|1,0,2]=4 104 B3R0.1 C=CC=O CHEBI:15368 [1,0,0,0,0,0|0,0,2]=3 105 B3R0.1 C=CC=S CHEBI:59787 [1,0,0,0,0,0|0,1,2]=4 106 B3R0.1 C=CCO CHEBI:16605 [1,0,0,0,0,0|2,0,0]=3 107 B3R0.1 CC#N=S CHEBI:47842 [1,0,0,0,0,0|1,1,1]=4 108 B3R0.1 CC#[N+][O-] CHEBI:47841 [1,0,0,0,0,0|1,0,2]=4 109 B3R0.1 CC=C=C CHEBI:39480 [1,0,0,0,0,0|1,0,2]=4 110 B3R0.1 CC=[N+]=[N-] CHEBI:87492 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.1 CCC#C CHEBI:48087 [1,0,0,0,0,0|1,0,1]=3 112 B3R0.1 CCC#N CHEBI:26307 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.1 CCC=C CHEBI:48362 [1,0,0,0,0,0|1,0,0]=2 114 B3R0.1 CCC=O CHEBI:17153 [1,0,0,0,0,0|0,0,0]=1 115 B3R0.1 CCCBr CHEBI:47105 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.1 CCCC CHEBI:37808 [1,0,0,0,0,0|1,0,1]=3 117 B3R0.1 CCCN CHEBI:39870 [1,0,0,0,0,0|1,0,1]=3 118 B3R0.1 CCCO CHEBI:28831 [1,0,0,0,0,0|0,0,2]=3 119 B3R0.1 CCCP CHEBI:35891 [1,0,0,0,0,0|1,0,1]=3 120 B3R0.1 CCCS CHEBI:8473 [1,0,0,0,0,0|0,1,1]=3 121 B3R0.1 CCC[NH3+] CHEBI:566825 [1,0,0,0,0,0|1,0,1]=3 122 B3R0.1 CCN=O CHEBI:50722 [1,0,0,0,0,0|1,0,0]=2 123 B3R0.1 CCOC CHEBI:39832 [1,0,0,0,0,0|2,0,0]=3 124 B3R0.1 CC[Mg]Cl CHEBI:51239 [1,0,0,0,0,0|2,0,0]=3 125 B3R0.1 CN=C=O CHEBI:59059 [1,0,0,0,0,0|1,0,1]=3 126 B3R0.1 CN=C=S CHEBI:78337 [1,0,0,0,0,0|1,1,1]=4 127 B3R0.1 CNC=O CHEBI:7438 [1,0,0,0,0,0|1,0,0]=2 128 B3R0.1 CNNC CHEBI:73755 [1,0,0,0,0,0|3,0,0]=4 129 B3R0.1 CNNC CHEBI:73759 [1,0,0,0,0,0|3,0,0]=4 130 B3R0.1 COC#N CHEBI:38907 [1,0,0,0,0,0|2,0,1]=4 131 B3R0.1 COC=O CHEBI:77699 [1,0,0,0,0,0|1,0,0]=2 132 B3R0.1 COCO CHEBI:46791 [1,0,0,0,0,0|1,0,2]=4 133 B3R0.1 COOC CHEBI:35928 [1,0,0,0,0,0|3,0,0]=4 134 B3R0.1 CSC#N CHEBI:61112 [1,0,0,0,0,0|2,0,1]=4 135 B3R0.1 CSSC CHEBI:4608 [1,0,0,0,0,0|3,0,0]=4 136 B3R0.1 C[NH2+][NH2+]C CHEBI:73760 [1,0,0,0,0,0|3,0,0]=4 137 B3R0.1 C[Te][Te]C CHEBI:68648 [1,0,0,0,0,0|3,0,0]=4 138 B3R0.1 C\C=C/C CHEBI:48366 [1,0,0,0,0,0|1,0,1]=3 139 B3R0.1 C\C=C\C CHEBI:48363 [1,0,0,0,0,0|1,0,1]=3 140 B3R0.1 C\C=C\C CHEBI:48365 [1,0,0,0,0,0|1,0,1]=3 141 B3R0.1 C\C=C\S CHEBI:59723 [1,0,0,0,0,0|0,1,1]=3 142 B3R0.1 C\C=N/N CHEBI:38538 [1,0,0,0,0,0|2,0,1]=4 143 B3R0.1 C\C=N/O CHEBI:50719 [1,0,0,0,0,0|1,0,2]=4 144 B3R0.1 C\C=N\N CHEBI:38535 [1,0,0,0,0,0|2,0,1]=4 145 B3R0.1 C\C=N\N CHEBI:38536 [1,0,0,0,0,0|2,0,1]=4 146 B3R0.1 C\C=N\O CHEBI:28465 [1,0,0,0,0,0|1,0,2]=4 147 B3R0.1 C\C=N\O CHEBI:50718 [1,0,0,0,0,0|1,0,2]=4 148 B3R0.1 N(=O)N=O CHEBI:29797 [1,0,0,0,0,0|3,0,0]=4 149 B3R0.1 N(=O)OO CHEBI:25942 [1,0,0,0,0,0|3,0,0]=4 150 B3R0.1 N(=O)O[O-] CHEBI:25941 [1,0,0,0,0,0|3,0,0]=4 151 B3R0.1 N(=O)O[O] CHEBI:29330 [1,0,0,0,0,0|3,0,0]=4 152 B3R0.1 O=ClOCl CHEBI:52354 [1,0,0,0,0,0|3,0,0]=4 153 B3R0.1 [*]CN[*] CHEBI:50981 [1,0,0,0,0,0|3,0,0]=4 154 B3R0.1 [*]C[NH2+][*] CHEBI:58855 [1,0,0,0,0,0|3,0,0]=4 155 B3R0.1 [*]\C=N/O CHEBI:22307 [1,0,0,0,0,0|3,0,0]=4 156 B3R0.1 [*]\C=N\[*] CHEBI:33271 [1,0,0,0,0,0|3,0,0]=4 157 B3R0.1 [C](=O)OO CHEBI:29790 [1,0,0,0,0,0|2,0,1]=4 158 B3R0.1 [C](=O)O[O-] CHEBI:29788 [1,0,0,0,0,0|2,0,1]=4 159 B3R0.1 [Li]C#CC CHEBI:51473 [1,0,0,0,0,0|1,0,2]=4 160 B3R0.1 [N](N=O)[O-] CHEBI:29798 [1,0,0,0,0,0|3,0,0]=4 161 B3R0.2 B(C)(C)O CHEBI:38276 [1,0,0,0,0,0|1,0,1]=3 162 B3R0.2 C(=O)(Cl)Cl CHEBI:29365 [1,0,0,0,0,0|2,0,1]=4 163 B3R0.2 C(=O)(N)N CHEBI:16199 [1,0,0,0,0,0|2,0,1]=4 164 B3R0.2 C(=O)(N)N CHEBI:75178 [1,0,0,0,0,0|2,0,1]=4 165 B3R0.2 C(=O)(N)O CHEBI:28616 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.2 C(=O)(N)[O-] CHEBI:13941 [1,0,0,0,0,0|2,0,1]=4 167 B3R0.2 C(=O)(O)O CHEBI:28976 [1,0,0,0,0,0|2,0,1]=4 168 B3R0.2 C(=O)(O)S CHEBI:36959 [1,0,0,0,0,0|2,0,1]=4 169 B3R0.2 C(=O)(O)[O-] CHEBI:17544 [1,0,0,0,0,0|2,0,1]=4 170 B3R0.2 C(=O)(O)[O-] CHEBI:32139 [1,0,0,0,0,0|2,0,1]=4 171 B3R0.2 C(=O)(O)[O-] CHEBI:81862 [1,0,0,0,0,0|2,0,1]=4 172 B3R0.2 C(=O)(O)[O] CHEBI:29789 [1,0,0,0,0,0|2,0,1]=4 173 B3R0.2 C(=O)(S)S CHEBI:36966 [1,0,0,0,0,0|2,0,1]=4 174 B3R0.2 C(=O)([O-])[O-] CHEBI:131526 [1,0,0,0,0,0|2,0,1]=4 175 B3R0.2 C(=O)([O-])[O-] CHEBI:29377 [1,0,0,0,0,0|2,0,1]=4 176 B3R0.2 C(=O)([O-])[O-] CHEBI:31793 [1,0,0,0,0,0|2,0,1]=4 177 B3R0.2 C(=O)([O-])[O-] CHEBI:3311 [1,0,0,0,0,0|2,0,1]=4 178 B3R0.2 C(=O)([O-])[O-] CHEBI:41609 [1,0,0,0,0,0|2,0,1]=4 179 B3R0.2 C(=O)([O-])[O-] CHEBI:6504 [1,0,0,0,0,0|2,0,1]=4 180 B3R0.2 C(=O)([O-])[O-] CHEBI:86235 [1,0,0,0,0,0|2,0,1]=4 181 B3R0.2 C(=O)([O-])[O] CHEBI:29376 [1,0,0,0,0,0|2,0,1]=4 182 B3R0.2 C(Br)(Br)Br CHEBI:38682 [1,0,0,0,0,0|3,0,0]=4 183 B3R0.2 C(Cl)(Cl)Br CHEBI:34591 [1,0,0,0,0,0|3,0,0]=4 184 B3R0.2 C(Cl)(Cl)Cl CHEBI:35255 [1,0,0,0,0,0|3,0,0]=4 185 B3R0.2 C(F)(F)F CHEBI:41550 [1,0,0,0,0,0|3,0,0]=4 186 B3R0.2 C(I)(I)I CHEBI:37758 [1,0,0,0,0,0|3,0,0]=4 187 B3R0.2 C=C(Cl)Cl CHEBI:34031 [1,0,0,0,0,0|2,0,1]=4 188 B3R0.2 CC(=C)C CHEBI:43907 [1,0,0,0,0,0|0,0,1]=2 189 B3R0.2 CC(=N)N CHEBI:38478 [1,0,0,0,0,0|2,0,1]=4 190 B3R0.2 CC(=N)O CHEBI:49028 [1,0,0,0,0,0|1,0,2]=4 191 B3R0.2 CC(=O)C CHEBI:15347 [1,0,0,0,0,0|0,0,1]=2 192 B3R0.2 CC(=O)Cl CHEBI:37580 [1,0,0,0,0,0|1,0,1]=3 193 B3R0.2 CC(=O)N CHEBI:27856 [1,0,0,0,0,0|1,0,1]=3 194 B3R0.2 CC(=O)O CHEBI:132481 [1,0,0,0,0,0|1,0,1]=3 195 B3R0.2 CC(=O)O CHEBI:15366 [1,0,0,0,0,0|1,0,1]=3 196 B3R0.2 CC(=O)S CHEBI:16555 [1,0,0,0,0,0|1,0,1]=3 197 B3R0.2 CC(=O)[O-] CHEBI:30089 [1,0,0,0,0,0|1,0,1]=3 198 B3R0.2 CC(=O)[O-] CHEBI:32029 [1,0,0,0,0,0|1,0,1]=3 199 B3R0.2 CC(=O)[O-] CHEBI:32138 [1,0,0,0,0,0|1,0,1]=3 200 B3R0.2 CC(=O)[O-] CHEBI:32954 [1,0,0,0,0,0|1,0,1]=3 201 B3R0.2 CC(=O)[O-] CHEBI:3310 [1,0,0,0,0,0|1,0,1]=3 202 B3R0.2 CC(=O)[O-] CHEBI:59199 [1,0,0,0,0,0|1,0,1]=3 203 B3R0.2 CC(=O)[O-] CHEBI:62947 [1,0,0,0,0,0|1,0,1]=3 204 B3R0.2 CC(=O)[O-] CHEBI:62964 [1,0,0,0,0,0|1,0,1]=3 205 B3R0.2 CC(=O)[O-] CHEBI:62984 [1,0,0,0,0,0|1,0,1]=3 206 B3R0.2 CC(=O)[O-] CHEBI:63045 [1,0,0,0,0,0|1,0,1]=3 207 B3R0.2 CC(=O)[O-] CHEBI:63078 [1,0,0,0,0,0|1,0,1]=3 208 B3R0.2 CC(=O)[O-] CHEBI:63879 [1,0,0,0,0,0|1,0,1]=3 209 B3R0.2 CC(=O)[O-] CHEBI:75192 [1,0,0,0,0,0|1,0,1]=3 210 B3R0.2 CC(=O)[O-] CHEBI:85138 [1,0,0,0,0,0|1,0,1]=3 211 B3R0.2 CC(=O)[S-] CHEBI:30320 [1,0,0,0,0,0|1,0,1]=3 212 B3R0.2 CC(=S)C CHEBI:36580 [1,0,0,0,0,0|0,1,1]=3 213 B3R0.2 CC(=S)N CHEBI:32497 [1,0,0,0,0,0|1,1,1]=4 214 B3R0.2 CC(=S)O CHEBI:46800 [1,0,0,0,0,0|1,0,2]=4 215 B3R0.2 CC(C)C CHEBI:30363 [1,0,0,0,0,0|0,0,1]=2 216 B3R0.2 CC(C)N CHEBI:15739 [1,0,0,0,0,0|1,0,0]=2 217 B3R0.2 CC(C)O CHEBI:17824 [1,0,0,0,0,0|0,0,1]=2 218 B3R0.2 CC(C)S CHEBI:8474 [1,0,0,0,0,0|0,1,0]=2 219 B3R0.2 CC(C)[NH3+] CHEBI:57492 [1,0,0,0,0,0|1,0,0]=2 220 B3R0.2 CN(C)C CHEBI:18139 [1,0,0,0,0,0|1,0,1]=3 221 B3R0.2 CN(C)C CHEBI:64700 [1,0,0,0,0,0|1,0,1]=3 222 B3R0.2 CN(C)N CHEBI:18853 [1,0,0,0,0,0|2,0,0]=3 223 B3R0.2 CP(C)C CHEBI:35890 [1,0,0,0,0,0|1,0,1]=3 224 B3R0.2 CS(=O)C CHEBI:28262 [1,0,0,0,0,0|1,0,0]=2 225 B3R0.2 CS(=O)O CHEBI:133897 [1,0,0,0,0,0|2,0,0]=3 226 B3R0.2 CS(=O)[O-] CHEBI:133603 [1,0,0,0,0,0|2,0,0]=3 227 B3R0.2 C[As](C)C CHEBI:27130 [1,0,0,0,0,0|1,0,1]=3 228 B3R0.2 C[As](C)O CHEBI:23808 [1,0,0,0,0,0|1,0,1]=3 229 B3R0.2 C[As](O)O CHEBI:17826 [1,0,0,0,0,0|2,0,1]=4 230 B3R0.2 C[As]([O-])[O-] CHEBI:14597 [1,0,0,0,0,0|2,0,1]=4 231 B3R0.2 C[N+](=O)[O-] CHEBI:77701 [1,0,0,0,0,0|2,0,0]=3 232 B3R0.2 C[NH+](C)C CHEBI:58389 [1,0,0,0,0,0|1,0,1]=3 233 B3R0.2 C[S+](C)C CHEBI:17434 [1,0,0,0,0,0|1,0,1]=3 234 B3R0.2 C[Se+](C)C CHEBI:77058 [1,0,0,0,0,0|1,0,1]=3 235 B3R0.2 C[Se](=O)O CHEBI:77012 [1,0,0,0,0,0|2,0,0]=3 236 B3R0.2 C[SnH](C)C CHEBI:63948 [1,0,0,0,0,0|1,0,1]=3 237 B3R0.2 N(=O)(=O)[O-] CHEBI:32130 [1,0,0,0,0,0|3,0,0]=4 238 B3R0.2 N[N+](=O)[O-] CHEBI:29273 [1,0,0,0,0,0|3,0,0]=4 239 B3R0.2 O=Br(=O)[O] CHEBI:29887 [1,0,0,0,0,0|3,0,0]=4 240 B3R0.2 O=Cl(=O)[O] CHEBI:29416 [1,0,0,0,0,0|3,0,0]=4 241 B3R0.2 O=I(=O)[O] CHEBI:29906 [1,0,0,0,0,0|3,0,0]=4 242 B3R0.2 O=S(=O)=O CHEBI:29384 [1,0,0,0,0,0|3,0,0]=4 243 B3R0.2 O=S(Cl)Cl CHEBI:29290 [1,0,0,0,0,0|3,0,0]=4 244 B3R0.2 O=[Br+](=O)=O CHEBI:29886 [1,0,0,0,0,0|3,0,0]=4 245 B3R0.2 O=[Cl+](=O)=O CHEBI:29417 [1,0,0,0,0,0|3,0,0]=4 246 B3R0.2 O=[Cr](=O)=O CHEBI:48240 [1,0,0,0,0,0|3,0,0]=4 247 B3R0.2 O=[I+](=O)=O CHEBI:29907 [1,0,0,0,0,0|3,0,0]=4 248 B3R0.2 O=[Mo](=O)=O CHEBI:30627 [1,0,0,0,0,0|3,0,0]=4 249 B3R0.2 O=[Mo](=O)S CHEBI:47566 [1,0,0,0,0,0|3,0,0]=4 250 B3R0.2 O=[Zr](Cl)Cl CHEBI:53479 [1,0,0,0,0,0|3,0,0]=4 251 B3R0.2 OBr(=O)=O CHEBI:49382 [1,0,0,0,0,0|3,0,0]=4 252 B3R0.2 OCl(=O)=O CHEBI:17322 [1,0,0,0,0,0|3,0,0]=4 253 B3R0.2 OI(=O)=O CHEBI:24857 [1,0,0,0,0,0|3,0,0]=4 254 B3R0.2 OP(=O)O CHEBI:44976 [1,0,0,0,0,0|3,0,0]=4 255 B3R0.2 OP(=O)[O-] CHEBI:33462 [1,0,0,0,0,0|3,0,0]=4 256 B3R0.2 OS(=O)=O CHEBI:29214 [1,0,0,0,0,0|3,0,0]=4 257 B3R0.2 OS(=O)O CHEBI:48854 [1,0,0,0,0,0|3,0,0]=4 258 B3R0.2 OS(=O)S CHEBI:35926 [1,0,0,0,0,0|3,0,0]=4 259 B3R0.2 OS(=O)[O-] CHEBI:17137 [1,0,0,0,0,0|3,0,0]=4 260 B3R0.2 OS(=O)[O-] CHEBI:26709 [1,0,0,0,0,0|3,0,0]=4 261 B3R0.2 OS(=O)[S-] CHEBI:35945 [1,0,0,0,0,0|3,0,0]=4 262 B3R0.2 O[AsH](=O)O CHEBI:29850 [1,0,0,0,0,0|3,0,0]=4 263 B3R0.2 O[AsH](=O)[O-] CHEBI:64448 [1,0,0,0,0,0|3,0,0]=4 264 B3R0.2 O[SbH](=O)O CHEBI:30298 [1,0,0,0,0,0|3,0,0]=4 265 B3R0.2 O[SeH](=O)=O CHEBI:29217 [1,0,0,0,0,0|3,0,0]=4 266 B3R0.2 O[Se](=O)O CHEBI:26642 [1,0,0,0,0,0|3,0,0]=4 267 B3R0.2 O[Se](=O)[O-] CHEBI:29924 [1,0,0,0,0,0|3,0,0]=4 268 B3R0.2 O[TeH](=O)=O CHEBI:30466 [1,0,0,0,0,0|3,0,0]=4 269 B3R0.2 O[Te](=O)O CHEBI:30465 [1,0,0,0,0,0|3,0,0]=4 270 B3R0.2 O[Te](=O)[O-] CHEBI:33522 [1,0,0,0,0,0|3,0,0]=4 271 B3R0.2 [*]C(=O)O CHEBI:33575 [1,0,0,0,0,0|2,0,1]=4 272 B3R0.2 [*]C(=O)[*] CHEBI:17087 [1,0,0,0,0,0|2,0,1]=4 273 B3R0.2 [*]C(=O)[O-] CHEBI:78892 [1,0,0,0,0,0|2,0,1]=4 274 B3R0.2 [*]C(=O)[O-] CHEBI:78893 [1,0,0,0,0,0|2,0,1]=4 275 B3R0.2 [*]C(=O)[O-] CHEBI:90582 [1,0,0,0,0,0|2,0,1]=4 276 B3R0.2 [*]C(O)O CHEBI:63733 [1,0,0,0,0,0|2,0,1]=4 277 B3R0.2 [13C](=O)(N)N CHEBI:32285 [1,0,0,0,0,0|2,0,1]=4 278 B3R0.2 [Li]C(=C)C CHEBI:51485 [1,0,0,0,0,0|1,0,1]=3 279 B3R0.2 [Li]C(=C)F CHEBI:51483 [1,0,0,0,0,0|2,0,1]=4 280 B3R0.2 [N+](=O)(O)[O-] CHEBI:48107 [1,0,0,0,0,0|3,0,0]=4 281 B3R0.2 [N+](=O)([O-])[O-] CHEBI:17632 [1,0,0,0,0,0|3,0,0]=4 282 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63005 [1,0,0,0,0,0|3,0,0]=4 283 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63038 [1,0,0,0,0,0|3,0,0]=4 284 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63043 [1,0,0,0,0,0|3,0,0]=4 285 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63315 [1,0,0,0,0,0|3,0,0]=4 286 B3R0.2 [N+](=O)([O-])[O-] CHEBI:63882 [1,0,0,0,0,0|3,0,0]=4 287 B3R0.2 [N+](=O)([O-])[O-] CHEBI:64205 [1,0,0,0,0,0|3,0,0]=4 288 B3R0.2 [N+](=O)([O-])[O-] CHEBI:64736 [1,0,0,0,0,0|3,0,0]=4 289 B3R0.2 [N+](=O)([O-])[O-] CHEBI:77732 [1,0,0,0,0,0|3,0,0]=4 290 B3R0.2 [N+](=O)([O-])[O-] CHEBI:78036 [1,0,0,0,0,0|3,0,0]=4 291 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86156 [1,0,0,0,0,0|3,0,0]=4 292 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86159 [1,0,0,0,0,0|3,0,0]=4 293 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86204 [1,0,0,0,0,0|3,0,0]=4 294 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86206 [1,0,0,0,0,0|3,0,0]=4 295 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86209 [1,0,0,0,0,0|3,0,0]=4 296 B3R0.2 [N+](=O)([O-])[O-] CHEBI:86214 [1,0,0,0,0,0|3,0,0]=4 297 B3R0.2 [N+](=O)([O-])[O] CHEBI:29329 [1,0,0,0,0,0|3,0,0]=4 298 B3R0.2 [O-]Br(=O)=O CHEBI:29223 [1,0,0,0,0,0|3,0,0]=4 299 B3R0.2 [O-]Br(=O)=O CHEBI:38211 [1,0,0,0,0,0|3,0,0]=4 300 B3R0.2 [O-]Br(=O)=O CHEBI:75229 [1,0,0,0,0,0|3,0,0]=4 301 B3R0.2 [O-]Cl(=O)=O CHEBI:49709 [1,0,0,0,0,0|3,0,0]=4 302 B3R0.2 [O-]Cl(=O)=O CHEBI:65242 [1,0,0,0,0,0|3,0,0]=4 303 B3R0.2 [O-]F(=O)=O CHEBI:132769 [1,0,0,0,0,0|3,0,0]=4 304 B3R0.2 [O-]I(=O)=O CHEBI:29226 [1,0,0,0,0,0|3,0,0]=4 305 B3R0.2 [O-]P(=O)=O CHEBI:30932 [1,0,0,0,0,0|3,0,0]=4 306 B3R0.2 [O-]P(=O)[O-] CHEBI:16215 [1,0,0,0,0,0|3,0,0]=4 307 B3R0.2 [O-]S(=O)=O CHEBI:33543 [1,0,0,0,0,0|3,0,0]=4 308 B3R0.2 [O-]S(=O)S CHEBI:35943 [1,0,0,0,0,0|3,0,0]=4 309 B3R0.2 [O-]S(=O)[O-] CHEBI:17359 [1,0,0,0,0,0|3,0,0]=4 310 B3R0.2 [O-]S(=O)[O-] CHEBI:86477 [1,0,0,0,0,0|3,0,0]=4 311 B3R0.2 [O-]S(=O)[O] CHEBI:29405 [1,0,0,0,0,0|3,0,0]=4 312 B3R0.2 [O-]S(=O)[S-] CHEBI:29257 [1,0,0,0,0,0|3,0,0]=4 313 B3R0.2 [O-][AsH](=O)[O-] CHEBI:29754 [1,0,0,0,0,0|3,0,0]=4 314 B3R0.2 [O-][Se](=O)[O-] CHEBI:131361 [1,0,0,0,0,0|3,0,0]=4 315 B3R0.2 [O-][Se](=O)[O-] CHEBI:18212 [1,0,0,0,0,0|3,0,0]=4 316 B3R0.2 [O-][Se](=O)[O-] CHEBI:48843 [1,0,0,0,0,0|3,0,0]=4 317 B3R0.2 [O-][Si](=O)[O-] CHEBI:132108 [1,0,0,0,0,0|2,1,0]=4 318 B3R0.2 [O-][Si](=O)[O-] CHEBI:60720 [1,0,0,0,0,0|2,1,0]=4 319 B3R0.2 [O-][Si](=O)[O] CHEBI:30199 [1,0,0,0,0,0|2,1,0]=4 320 B3R0.2 [O-][Te](=O)[O-] CHEBI:30477 [1,0,0,0,0,0|3,0,0]=4 321 B3R0.2 [O-][Te](=O)[O-] CHEBI:75248 [1,0,0,0,0,0|3,0,0]=4 322 B3R0.2 [O-][Te](=O)[O] CHEBI:30478 [1,0,0,0,0,0|3,0,0]=4 323 B3R0.2 [O-][V](=O)=O CHEBI:132095 [1,0,0,0,0,0|3,0,0]=4 324 B3R0.2 [O-][V](=O)=O CHEBI:132765 [1,0,0,0,0,0|3,0,0]=4 325 B3R0.2 [O-][V](=O)=O CHEBI:75221 [1,0,0,0,0,0|3,0,0]=4 326 B3R0.2 [O-][V](=O)=O CHEBI:75224 [1,0,0,0,0,0|3,0,0]=4 327 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [0,1,0,0,0,0|2,0,1]=4 329 B5R0.1 CC#[N+][C-](C)C CHEBI:47847 [0,1,0,0,0,0|1,0,2]=4 330 B5R0.1 CC(=CC=O)C CHEBI:15825 [0,1,0,0,0,0|0,0,1]=2 331 B5R0.1 CC(=CCO)C CHEBI:16019 [0,1,0,0,0,0|0,0,2]=3 332 B5R0.1 CC(=O)CC=C CHEBI:87508 [0,1,0,0,0,0|2,0,1]=4 333 B5R0.1 CC(=O)OC=C CHEBI:46916 [0,1,0,0,0,0|2,0,1]=4 334 B5R0.1 CC(C)CC=O CHEBI:16638 [0,1,0,0,0,0|0,0,0]=1 335 B5R0.1 CC(C)CCN CHEBI:43689 [0,1,0,0,0,0|1,0,1]=3 336 B5R0.1 CC(C)CCO CHEBI:15837 [0,1,0,0,0,0|0,0,2]=3 337 B5R0.1 CC(C)CNO CHEBI:131928 [0,1,0,0,0,0|0,0,2]=3 338 B5R0.1 CC(C)\C=C\O CHEBI:77922 [0,1,0,0,0,0|0,0,1]=2 339 B5R0.1 CC(C)\C=N/O CHEBI:61144 [0,1,0,0,0,0|0,0,1]=2 340 B5R0.1 CC(C)\C=N\O CHEBI:17502 [0,1,0,0,0,0|0,0,1]=2 341 B5R0.1 CC(C)\C=N\O CHEBI:61143 [0,1,0,0,0,0|0,0,1]=2 342 B5R0.1 CC(CCO)O CHEBI:52683 [0,1,0,0,0,0|1,0,2]=4 343 B5R0.1 CC=CC(=O)C CHEBI:89540 [0,1,0,0,0,0|2,0,1]=4 344 B5R0.1 CCCC(C)O CHEBI:77518 [0,1,0,0,0,0|2,0,1]=4 345 B5R0.1 CN(C)CCCl CHEBI:78153 [0,1,0,0,0,0|2,0,1]=4 346 B5R0.1 CN(C)CCCl CHEBI:78155 [0,1,0,0,0,0|2,0,1]=4 347 B5R0.1 CN(C)CCO CHEBI:271436 [0,1,0,0,0,0|1,0,2]=4 348 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [0,1,0,0,0,0|1,0,2]=4 349 B5R0.1 C[C@H](CCO)O CHEBI:52687 [0,1,0,0,0,0|1,0,2]=4 350 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [0,1,0,0,0,0|2,0,1]=4 351 B5R0.1 C[S+](C)CCO CHEBI:63035 [0,1,0,0,0,0|1,0,2]=4 352 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [0,1,0,0,0,0|1,0,1]=3 353 B5R0.3 C(C(C=O)O)O CHEBI:15693 [0,1,0,0,0,0|1,0,0]=2 354 B5R0.3 C(C(C=O)O)O CHEBI:5445 [0,1,0,0,0,0|1,0,0]=2 355 B5R0.3 C(C(CBr)Br)Br CHEBI:18859 [0,1,0,0,0,0|2,0,1]=4 356 B5R0.3 C(C(CBr)O)O CHEBI:18719 [0,1,0,0,0,0|1,0,2]=4 357 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [0,1,0,0,0,0|2,0,1]=4 358 B5R0.3 C(C(CCl)O)O CHEBI:18721 [0,1,0,0,0,0|1,0,2]=4 359 B5R0.3 C(C(CO)O)O CHEBI:17522 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.3 C(C(CO)O)O CHEBI:17754 [0,1,0,0,0,0|1,0,2]=4 361 B5R0.3 C(C(CS)O)O CHEBI:74537 [0,1,0,0,0,0|1,0,2]=4 362 B5R0.3 C(C(CS)S)O CHEBI:64198 [0,1,0,0,0,0|1,0,2]=4 363 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [0,1,0,0,0,0|1,0,0]=2 364 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [0,1,0,0,0,0|1,0,0]=2 365 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [0,1,0,0,0,0|1,0,2]=4 366 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [0,1,0,0,0,0|1,0,2]=4 367 B5R0.3 CCC(C)C#N CHEBI:61669 [0,1,0,0,0,0|1,0,1]=3 368 B5R0.3 CCC(C)C=O CHEBI:16182 [0,1,0,0,0,0|0,0,0]=1 369 B5R0.3 CCC(C)CO CHEBI:48945 [0,1,0,0,0,0|0,0,2]=3 370 B5R0.3 CCC(C)NC CHEBI:84267 [0,1,0,0,0,0|1,0,1]=3 371 B5R0.3 CCC(CC)N CHEBI:84248 [0,1,0,0,0,0|2,0,1]=4 372 B5R0.3 CCC(CC)O CHEBI:77519 [0,1,0,0,0,0|2,0,1]=4 373 B5R0.3 CCC(CO)O CHEBI:52682 [0,1,0,0,0,0|1,0,2]=4 374 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,1,0,0,0,0|2,0,1]=4 375 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,1,0,0,0,0|0,0,2]=3 376 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,1,0,0,0,0|1,0,2]=4 377 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,1,0,0,0,0|0,0,2]=3 378 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,1,0,0,0,0|1,0,2]=4 379 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [0,1,0,0,0,0|1,0,2]=4 380 B5R0.4 C(=O)C(Cl)(Cl)Cl CHEBI:48814 [0,1,0,0,0,0|2,0,0]=3 381 B5R0.4 C(=O)[Si](O)(O)O CHEBI:24098 [0,1,0,0,0,0|2,1,0]=4 382 B5R0.4 CC(C)(C#N)O CHEBI:15348 [0,1,0,0,0,0|1,0,1]=3 383 B5R0.4 CC(C)(C)OC CHEBI:27642 [0,1,0,0,0,0|2,0,0]=3 384 B5R0.4 CC(C)(C)OO CHEBI:64090 [0,1,0,0,0,0|1,0,1]=3 385 B5R0.4 CC(C)(C=C)O CHEBI:132752 [0,1,0,0,0,0|1,0,0]=2 386 B5R0.4 CC(C)(C=O)O CHEBI:131846 [0,1,0,0,0,0|0,0,0]=1 387 B5R0.4 CC(C)(CO)O CHEBI:131845 [0,1,0,0,0,0|0,0,2]=3 388 B5R0.4 CCC(C)(C)N CHEBI:84236 [0,1,0,0,0,0|1,0,1]=3 389 B5R0.4 CCC(C)(C)O CHEBI:132750 [0,1,0,0,0,0|1,0,1]=3 390 B5R0.4 CC[N+](C)(C)C CHEBI:271685 [0,1,0,0,0,0|2,0,1]=4 391 B5R0.4 CC[N+](C)(C)C CHEBI:55320 [0,1,0,0,0,0|2,0,1]=4 392 B5R0.4 CC[Si](C)(C)C CHEBI:48788 [0,1,0,0,0,0|1,1,1]=4 393 B5R0.4 C[Si](C=O)(O)O CHEBI:24096 [0,1,0,0,0,0|1,1,0]=3 394 B5R0.4 [*]C([*])([*])C=O CHEBI:60379 [0,1,0,0,0,0|2,0,0]=3 395 B5R0.5 C(=O)(C(=O)N)N CHEBI:48248 [0,1,0,0,0,0|2,0,1]=4 396 B5R0.5 C(=O)(C(=O)O)N CHEBI:18058 [0,1,0,0,0,0|2,0,1]=4 397 B5R0.5 C(=O)(C(=O)O)O CHEBI:16995 [0,1,0,0,0,0|2,0,1]=4 398 B5R0.5 C(=O)(C(=O)[O-])N CHEBI:58363 [0,1,0,0,0,0|2,0,1]=4 399 B5R0.5 C(=O)(C(=O)[O-])O CHEBI:46904 [0,1,0,0,0,0|2,0,1]=4 400 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:132764 [0,1,0,0,0,0|2,0,1]=4 401 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:30623 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:60579 [0,1,0,0,0,0|2,0,1]=4 403 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:91241 [0,1,0,0,0,0|2,0,1]=4 404 B5R0.5 C(C(=O)Cl)(Cl)Cl CHEBI:34688 [0,1,0,0,0,0|2,0,0]=3 405 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [0,1,0,0,0,0|2,0,0]=3 406 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [0,1,0,0,0,0|2,0,0]=3 407 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [0,1,0,0,0,0|2,0,0]=3 408 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [0,1,0,0,0,0|2,0,0]=3 409 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [0,1,0,0,0,0|2,0,0]=3 410 B5R0.5 C(C(=O)[O-])(Cl)Cl CHEBI:28240 [0,1,0,0,0,0|2,0,0]=3 411 B5R0.5 C(C(=O)[O-])(F)F CHEBI:23715 [0,1,0,0,0,0|2,0,0]=3 412 B5R0.5 C=C(C(=O)O)Cl CHEBI:73963 [0,1,0,0,0,0|1,0,2]=4 413 B5R0.5 C=C(C(=O)O)N CHEBI:17123 [0,1,0,0,0,0|1,0,2]=4 414 B5R0.5 C=C(C(=O)O)O CHEBI:86354 [0,1,0,0,0,0|1,0,2]=4 415 B5R0.5 C=C(C(=O)[O-])Cl CHEBI:73935 [0,1,0,0,0,0|1,0,2]=4 416 B5R0.5 C=C(C(=O)[O-])N CHEBI:58020 [0,1,0,0,0,0|1,0,2]=4 417 B5R0.5 C=C(C(=O)[O-])[NH3+] CHEBI:76565 [0,1,0,0,0,0|1,0,2]=4 418 B5R0.5 CC(=C)C(=O)N CHEBI:51759 [0,1,0,0,0,0|0,0,2]=3 419 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,1,0,0,0,0|0,0,2]=3 420 B5R0.5 CC(=C)C(=O)[O-] CHEBI:25218 [0,1,0,0,0,0|0,0,2]=3 421 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,1,0,0,0,0|1,0,1]=3 422 B5R0.5 CC(=N)C(=O)[O-] CHEBI:77456 [0,1,0,0,0,0|1,0,1]=3 423 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [0,1,0,0,0,0|1,0,1]=3 424 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,1,0,0,0,0|1,0,1]=3 425 B5R0.5 CC(=O)C(=O)[O-] CHEBI:15361 [0,1,0,0,0,0|1,0,1]=3 426 B5R0.5 CC(=O)C(=O)[O-] CHEBI:50144 [0,1,0,0,0,0|1,0,1]=3 427 B5R0.5 CC(=O)N(C)C CHEBI:84254 [0,1,0,0,0,0|1,0,0]=2 428 B5R0.5 CC(=[NH2+])C(=O)[O-] CHEBI:44400 [0,1,0,0,0,0|1,0,1]=3 429 B5R0.5 CC(C(=O)C)O CHEBI:15688 [0,1,0,0,0,0|1,0,0]=2 430 B5R0.5 CC(C(=O)N)O CHEBI:75144 [0,1,0,0,0,0|1,0,0]=2 431 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,1,0,0,0,0|1,0,0]=2 432 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,1,0,0,0,0|1,0,0]=2 433 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,1,0,0,0,0|1,0,0]=2 434 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,1,0,0,0,0|1,0,0]=2 435 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [0,1,0,0,0,0|1,0,0]=2 436 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [0,1,0,0,0,0|1,0,0]=2 437 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [0,1,0,0,0,0|1,0,0]=2 438 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [0,1,0,0,0,0|1,0,0]=2 439 B5R0.5 CC(C(C)O)O CHEBI:62064 [0,1,0,0,0,0|1,0,2]=4 440 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,1,0,0,0,0|0,0,0]=1 441 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [0,1,0,0,0,0|0,0,0]=1 442 B5R0.5 CC(C)C(C)O CHEBI:77517 [0,1,0,0,0,0|0,0,2]=3 443 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [0,1,0,0,0,0|1,0,0]=2 444 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,1,0,0,0,0|1,0,0]=2 445 B5R0.5 CN(C)C(=S)S CHEBI:83061 [0,1,0,0,0,0|1,1,0]=3 446 B5R0.5 CN(C)C(=S)[S-] CHEBI:84293 [0,1,0,0,0,0|1,1,0]=3 447 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [0,1,0,0,0,0|1,0,0]=2 448 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [0,1,0,0,0,0|1,0,0]=2 449 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [0,1,0,0,0,0|1,0,0]=2 450 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,1,0,0,0,0|1,0,0]=2 451 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,1,0,0,0,0|1,0,0]=2 452 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,1,0,0,0,0|1,0,0]=2 453 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,1,0,0,0,0|1,0,0]=2 454 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,1,0,0,0,0|1,0,0]=2 455 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [0,1,0,0,0,0|1,0,0]=2 456 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [0,1,0,0,0,0|1,0,0]=2 457 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [0,1,0,0,0,0|1,0,0]=2 458 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [0,1,0,0,0,0|1,0,0]=2 459 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [0,1,0,0,0,0|1,0,2]=4 460 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [0,1,0,0,0,0|1,0,0]=2 461 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,1,0,0,0,0|1,0,0]=2 462 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,1,0,0,0,0|1,0,0]=2 463 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,1,0,0,0,0|1,0,0]=2 464 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,1,0,0,0,0|1,0,0]=2 465 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [0,1,0,0,0,0|1,0,0]=2 466 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [0,1,0,0,0,0|1,0,0]=2 467 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [0,1,0,0,0,0|1,0,0]=2 468 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [0,1,0,0,0,0|1,0,2]=4 469 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [0,1,0,0,0,0|1,0,2]=4 470 B5R0.5 [*]C(=O)C(=O)O CHEBI:35910 [0,1,0,0,0,0|2,0,1]=4 471 B5R0.5 [*]C(=O)C(=O)[O-] CHEBI:35179 [0,1,0,0,0,0|2,0,1]=4 472 B5R0.5 [*]C(=O)N([*])[*] CHEBI:37622 [0,1,0,0,0,0|3,0,0]=4 473 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,1,0,0,0,0|1,0,0]=2 474 B5R1.3 C1C(O1)CBr CHEBI:18718 [0,0,0,1,0,0|2,0,1]=4 475 B5R1.3 C1C(O1)CCl CHEBI:37144 [0,0,0,1,0,0|2,0,1]=4 476 B5R1.3 C1C(O1)CO CHEBI:30966 [0,0,0,1,0,0|1,0,2]=4 477 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [0,0,0,1,0,0|2,0,1]=4 478 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [0,0,0,1,0,0|1,0,2]=4 479 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [0,0,0,1,0,0|2,0,1]=4 480 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [0,0,0,1,0,0|1,0,2]=4 481 B5R1.3 C=CC1CN1 CHEBI:51318 [0,0,0,1,0,0|2,0,0]=3 482 B5R1.3 C=CN1CC1 CHEBI:51317 [0,0,0,1,0,0|2,0,0]=3 483 B5R1.5 C[N+]1(CC1)C CHEBI:50947 [0,0,0,1,0,0|2,0,1]=4 484 B2R0.1 B(=O)[O-] CHEBI:75227 [2,0,0,0,0,0|2,0,0]=4 485 B2R0.1 C(=N)=O CHEBI:29202 [2,0,0,0,0,0|1,0,1]=4 486 B2R0.1 C(=N)N CHEBI:38477 [2,0,0,0,0,0|2,0,0]=4 487 B2R0.1 C(=N)O CHEBI:48431 [2,0,0,0,0,0|1,0,1]=4 488 B2R0.1 C(=O)=O CHEBI:16526 [2,0,0,0,0,0|1,0,1]=4 489 B2R0.1 C(=O)=S CHEBI:16573 [2,0,0,0,0,0|1,0,1]=4 490 B2R0.1 C(=O)N CHEBI:16397 [2,0,0,0,0,0|1,0,0]=3 491 B2R0.1 C(=O)O CHEBI:30751 [2,0,0,0,0,0|1,0,0]=3 492 B2R0.1 C(=O)[O-] CHEBI:15740 [2,0,0,0,0,0|1,0,0]=3 493 B2R0.1 C(=O)[O-] CHEBI:62965 [2,0,0,0,0,0|1,0,0]=3 494 B2R0.1 C(=O)[O-] CHEBI:63006 [2,0,0,0,0,0|1,0,0]=3 495 B2R0.1 C(=O)[O-] CHEBI:63050 [2,0,0,0,0,0|1,0,0]=3 496 B2R0.1 C(=O)[O-] CHEBI:63316 [2,0,0,0,0,0|1,0,0]=3 497 B2R0.1 C(Br)Br CHEBI:47077 [2,0,0,0,0,0|2,0,0]=4 498 B2R0.1 C(Cl)Br CHEBI:17194 [2,0,0,0,0,0|2,0,0]=4 499 B2R0.1 C(Cl)Cl CHEBI:15767 [2,0,0,0,0,0|2,0,0]=4 500 B2R0.1 C(F)F CHEBI:47855 [2,0,0,0,0,0|2,0,0]=4 501 B2R0.1 C(N)N CHEBI:35413 [2,0,0,0,0,0|2,0,0]=4 502 B2R0.1 C(O)O CHEBI:48397 [2,0,0,0,0,0|1,0,1]=4 503 B2R0.1 C=C=C CHEBI:37601 [2,0,0,0,0,0|0,0,2]=4 504 B2R0.1 C=C=O CHEBI:48003 [2,0,0,0,0,0|0,0,2]=4 505 B2R0.1 C=CBr CHEBI:51311 [2,0,0,0,0,0|1,0,1]=4 506 B2R0.1 C=CCl CHEBI:28509 [2,0,0,0,0,0|1,0,1]=4 507 B2R0.1 C=CF CHEBI:51314 [2,0,0,0,0,0|1,0,1]=4 508 B2R0.1 C=CI CHEBI:51315 [2,0,0,0,0,0|1,0,1]=4 509 B2R0.1 C=[N+]=[N-] CHEBI:73716 [2,0,0,0,0,0|2,0,0]=4 510 B2R0.1 CC#C CHEBI:48086 [2,0,0,0,0,0|0,0,2]=4 511 B2R0.1 CC#N CHEBI:38472 [2,0,0,0,0,0|1,0,1]=4 512 B2R0.1 CC=C CHEBI:16052 [2,0,0,0,0,0|0,0,1]=3 513 B2R0.1 CC=O CHEBI:15343 [2,0,0,0,0,0|0,0,0]=2 514 B2R0.1 CC=O CHEBI:16571 [2,0,0,0,0,0|0,0,0]=2 515 B2R0.1 CCC CHEBI:32879 [2,0,0,0,0,0|0,0,0]=2 516 B2R0.1 CCCl CHEBI:47554 [2,0,0,0,0,0|1,0,0]=3 517 B2R0.1 CCI CHEBI:42487 [2,0,0,0,0,0|1,0,0]=3 518 B2R0.1 CCN CHEBI:15862 [2,0,0,0,0,0|1,0,0]=3 519 B2R0.1 CCO CHEBI:16236 [2,0,0,0,0,0|0,0,1]=3 520 B2R0.1 CCO CHEBI:17246 [2,0,0,0,0,0|0,0,1]=3 521 B2R0.1 CCP CHEBI:35889 [2,0,0,0,0,0|1,0,0]=3 522 B2R0.1 CC[Hg+] CHEBI:33204 [2,0,0,0,0,0|1,0,0]=3 523 B2R0.1 CC[NH3+] CHEBI:566789 [2,0,0,0,0,0|1,0,0]=3 524 B2R0.1 CC[NH3+] CHEBI:63880 [2,0,0,0,0,0|1,0,0]=3 525 B2R0.1 CC[O-] CHEBI:52092 [2,0,0,0,0,0|0,0,1]=3 526 B2R0.1 CC[O-] CHEBI:52096 [2,0,0,0,0,0|0,0,1]=3 527 B2R0.1 CNC CHEBI:17170 [2,0,0,0,0,0|1,0,0]=3 528 B2R0.1 COC CHEBI:28887 [2,0,0,0,0,0|1,0,0]=3 529 B2R0.1 CPC CHEBI:35888 [2,0,0,0,0,0|1,0,0]=3 530 B2R0.1 CSC CHEBI:17437 [2,0,0,0,0,0|1,0,0]=3 531 B2R0.1 CSO CHEBI:48272 [2,0,0,0,0,0|1,0,1]=4 532 B2R0.1 C[C]=O CHEBI:46887 [2,0,0,0,0,0|0,0,1]=3 533 B2R0.1 C[Hg]C CHEBI:30786 [2,0,0,0,0,0|1,0,0]=3 534 B2R0.1 C[Hg]Cl CHEBI:28216 [2,0,0,0,0,0|2,0,0]=4 535 B2R0.1 C[Mg]Cl CHEBI:51492 [2,0,0,0,0,0|2,0,0]=4 536 B2R0.1 C[N+]#[C-] CHEBI:44177 [2,0,0,0,0,0|1,0,1]=4 537 B2R0.1 C[NH2+]C CHEBI:58040 [2,0,0,0,0,0|1,0,0]=3 538 B2R0.1 C[Se]C CHEBI:4610 [2,0,0,0,0,0|1,0,0]=3 539 B2R0.1 C[Se]O CHEBI:77062 [2,0,0,0,0,0|1,0,1]=4 540 B2R0.1 C[SnH2]C CHEBI:30538 [2,0,0,0,0,0|1,0,0]=3 541 B2R0.1 C[Sn]C CHEBI:30539 [2,0,0,0,0,0|1,0,0]=3 542 B2R0.1 C[Te]C CHEBI:4613 [2,0,0,0,0,0|1,0,0]=3 543 B2R0.1 C[Zn]C CHEBI:51497 [2,0,0,0,0,0|1,0,0]=3 544 B2R0.1 N(=O)O CHEBI:25567 [2,0,0,0,0,0|2,0,0]=4 545 B2R0.1 N(=O)S CHEBI:65308 [2,0,0,0,0,0|2,0,0]=4 546 B2R0.1 N(=O)[O-] CHEBI:16301 [2,0,0,0,0,0|2,0,0]=4 547 B2R0.1 N(=O)[O-] CHEBI:78870 [2,0,0,0,0,0|2,0,0]=4 548 B2R0.1 N=S=O CHEBI:48872 [2,0,0,0,0,0|2,0,0]=4 549 B2R0.1 O=Br=O CHEBI:29874 [2,0,0,0,0,0|2,0,0]=4 550 B2R0.1 O=Cl=O CHEBI:29415 [2,0,0,0,0,0|2,0,0]=4 551 B2R0.1 O=ClF CHEBI:30127 [2,0,0,0,0,0|2,0,0]=4 552 B2R0.1 O=I=O CHEBI:29901 [2,0,0,0,0,0|2,0,0]=4 553 B2R0.1 O=S=O CHEBI:18422 [2,0,0,0,0,0|2,0,0]=4 554 B2R0.1 O=[Br+]=O CHEBI:29880 [2,0,0,0,0,0|2,0,0]=4 555 B2R0.1 O=[Ce]=O CHEBI:79089 [2,0,0,0,0,0|2,0,0]=4 556 B2R0.1 O=[Cl+]=O CHEBI:29418 [2,0,0,0,0,0|2,0,0]=4 557 B2R0.1 O=[Cr]=O CHEBI:48263 [2,0,0,0,0,0|2,0,0]=4 558 B2R0.1 O=[I+]=O CHEBI:29903 [2,0,0,0,0,0|2,0,0]=4 559 B2R0.1 O=[P]=O CHEBI:37370 [2,0,0,0,0,0|2,0,0]=4 560 B2R0.1 O=[Si]=O CHEBI:30563 [2,0,0,0,0,0|1,1,0]=4 561 B2R0.1 O=[Sn]=O CHEBI:52991 [2,0,0,0,0,0|2,0,0]=4 562 B2R0.1 O=[Tc]=O CHEBI:26864 [2,0,0,0,0,0|2,0,0]=4 563 B2R0.1 O=[Th]=O CHEBI:37339 [2,0,0,0,0,0|2,0,0]=4 564 B2R0.1 O=[Ti]=O CHEBI:32234 [2,0,0,0,0,0|2,0,0]=4 565 B2R0.1 O=[U+2]=O CHEBI:43515 [2,0,0,0,0,0|2,0,0]=4 566 B2R0.1 O=[U+]=O CHEBI:29124 [2,0,0,0,0,0|2,0,0]=4 567 B2R0.1 O=[V+]=O CHEBI:30048 [2,0,0,0,0,0|2,0,0]=4 568 B2R0.1 O=[V]=O CHEBI:30047 [2,0,0,0,0,0|2,0,0]=4 569 B2R0.1 OBr=O CHEBI:29247 [2,0,0,0,0,0|2,0,0]=4 570 B2R0.1 OCl=O CHEBI:29219 [2,0,0,0,0,0|2,0,0]=4 571 B2R0.1 OF=O CHEBI:47862 [2,0,0,0,0,0|2,0,0]=4 572 B2R0.1 OI=O CHEBI:29229 [2,0,0,0,0,0|2,0,0]=4 573 B2R0.1 OP=O CHEBI:36363 [2,0,0,0,0,0|2,0,0]=4 574 B2R0.1 OS=O CHEBI:29213 [2,0,0,0,0,0|2,0,0]=4 575 B2R0.1 O[Al]=O CHEBI:30188 [2,0,0,0,0,0|2,0,0]=4 576 B2R0.1 O[AsH2]=O CHEBI:29840 [2,0,0,0,0,0|2,0,0]=4 577 B2R0.1 O[PH2]=O CHEBI:29031 [2,0,0,0,0,0|2,0,0]=4 578 B2R0.1 O[SbH2]=O CHEBI:30300 [2,0,0,0,0,0|2,0,0]=4 579 B2R0.1 O[SeH]=O CHEBI:29218 [2,0,0,0,0,0|2,0,0]=4 580 B2R0.1 O[TeH]=O CHEBI:30467 [2,0,0,0,0,0|2,0,0]=4 581 B2R0.1 [*]C=O CHEBI:17478 [2,0,0,0,0,0|1,0,0]=3 582 B2R0.1 [*]CN CHEBI:17062 [2,0,0,0,0,0|2,0,0]=4 583 B2R0.1 [*]CO CHEBI:15734 [2,0,0,0,0,0|1,0,1]=4 584 B2R0.1 [CH2]C=O CHEBI:46886 [2,0,0,0,0,0|0,0,1]=3 585 B2R0.1 [C](=O)N CHEBI:33100 [2,0,0,0,0,0|1,0,1]=4 586 B2R0.1 [C](=O)O CHEBI:29326 [2,0,0,0,0,0|1,0,1]=4 587 B2R0.1 [C](=O)[O-] CHEBI:29325 [2,0,0,0,0,0|1,0,1]=4 588 B2R0.1 [Li]C=C CHEBI:51472 [2,0,0,0,0,0|1,0,1]=4 589 B2R0.1 [Li]CC CHEBI:51468 [2,0,0,0,0,0|1,0,0]=3 590 B2R0.1 [N+](=O)=O CHEBI:29424 [2,0,0,0,0,0|2,0,0]=4 591 B2R0.1 [N-]=[N]=O CHEBI:29796 [2,0,0,0,0,0|2,0,0]=4 592 B2R0.1 [N](=O)=O CHEBI:33101 [2,0,0,0,0,0|2,0,0]=4 593 B2R0.1 [O-]Br=O CHEBI:29248 [2,0,0,0,0,0|2,0,0]=4 594 B2R0.1 [O-]Cl=O CHEBI:17441 [2,0,0,0,0,0|2,0,0]=4 595 B2R0.1 [O-]Cl=O CHEBI:78667 [2,0,0,0,0,0|2,0,0]=4 596 B2R0.1 [O-]I=O CHEBI:29230 [2,0,0,0,0,0|2,0,0]=4 597 B2R0.1 [O-]P=O CHEBI:44951 [2,0,0,0,0,0|2,0,0]=4 598 B2R0.1 [O-]S=O CHEBI:9341 [2,0,0,0,0,0|2,0,0]=4 599 B2R0.1 [O-][AsH2]=O CHEBI:29846 [2,0,0,0,0,0|2,0,0]=4 600 B2R0.1 [O-][As]=O CHEBI:29678 [2,0,0,0,0,0|2,0,0]=4 601 B2R0.1 [O-][Fe]=O CHEBI:78619 [2,0,0,0,0,0|2,0,0]=4 602 B2R0.1 [O-][O+]=O CHEBI:25812 [2,0,0,0,0,0|2,0,0]=4 603 B2R0.1 [O-][PH2]=O CHEBI:29198 [2,0,0,0,0,0|2,0,0]=4 604 B4R0.2 C#CCC=O CHEBI:28180 [1,1,0,0,0,0|0,0,1]=3 605 B4R0.2 C#CCCO CHEBI:27444 [1,1,0,0,0,0|1,0,1]=4 606 B4R0.2 C(=O)OC=O CHEBI:36657 [1,1,0,0,0,0|1,0,1]=4 607 B4R0.2 C(C=O)C=O CHEBI:566274 [1,1,0,0,0,0|0,0,1]=3 608 B4R0.2 C(CN)C#N CHEBI:27413 [1,1,0,0,0,0|1,0,1]=4 609 B4R0.2 C(CN)C=O CHEBI:18090 [1,1,0,0,0,0|0,0,0]=2 610 B4R0.2 C(CN)C=O CHEBI:27390 [1,1,0,0,0,0|0,0,0]=2 611 B4R0.2 C(CN)CN CHEBI:15725 [1,1,0,0,0,0|1,0,1]=4 612 B4R0.2 C(CN)CN CHEBI:35411 [1,1,0,0,0,0|1,0,1]=4 613 B4R0.2 C(CN)CS CHEBI:38933 [1,1,0,0,0,0|0,1,1]=4 614 B4R0.2 C(CO)C=O CHEBI:17871 [1,1,0,0,0,0|0,0,0]=2 615 B4R0.2 C(CO)CO CHEBI:16109 [1,1,0,0,0,0|0,0,2]=4 616 B4R0.2 C(CO)NN CHEBI:50098 [1,1,0,0,0,0|2,0,0]=4 617 B4R0.2 C(CS)CS CHEBI:44864 [1,1,0,0,0,0|0,1,1]=4 618 B4R0.2 C(C[NH3+])C#N CHEBI:91086 [1,1,0,0,0,0|1,0,1]=4 619 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [1,1,0,0,0,0|0,0,0]=2 620 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:57484 [1,1,0,0,0,0|1,0,1]=4 621 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:70977 [1,1,0,0,0,0|1,0,1]=4 622 B4R0.2 C(\C=C/Cl)Cl CHEBI:18809 [1,1,0,0,0,0|1,0,1]=4 623 B4R0.2 C(\C=C/Cl)O CHEBI:28967 [1,1,0,0,0,0|1,0,1]=4 624 B4R0.2 C(\C=C\Cl)Cl CHEBI:18624 [1,1,0,0,0,0|1,0,1]=4 625 B4R0.2 C(\C=C\Cl)O CHEBI:23120 [1,1,0,0,0,0|1,0,1]=4 626 B4R0.2 C(\C=C\Cl)O CHEBI:28960 [1,1,0,0,0,0|1,0,1]=4 627 B4R0.2 CCCC#N CHEBI:51937 [1,1,0,0,0,0|1,0,1]=4 628 B4R0.2 CCCC=O CHEBI:15743 [1,1,0,0,0,0|0,0,0]=2 629 B4R0.2 CCCCC CHEBI:37830 [1,1,0,0,0,0|1,0,1]=4 630 B4R0.2 CCCCN CHEBI:43799 [1,1,0,0,0,0|1,0,1]=4 631 B4R0.2 CCCCO CHEBI:28885 [1,1,0,0,0,0|0,0,2]=4 632 B4R0.2 CCCC[SnH3] CHEBI:22966 [1,1,0,0,0,0|1,0,1]=4 633 B4R0.2 CCCSO CHEBI:91018 [1,1,0,0,0,0|0,0,2]=4 634 B4R0.2 CCN=C=O CHEBI:85107 [1,1,0,0,0,0|0,0,1]=3 635 B4R0.2 CCN=C=S CHEBI:85098 [1,1,0,0,0,0|0,1,1]=4 636 B4R0.2 CCNCC CHEBI:85259 [1,1,0,0,0,0|1,0,1]=4 637 B4R0.2 CCOC=O CHEBI:52342 [1,1,0,0,0,0|0,0,0]=2 638 B4R0.2 CCOCC CHEBI:35702 [1,1,0,0,0,0|1,0,1]=4 639 B4R0.2 CCSCC CHEBI:27710 [1,1,0,0,0,0|1,0,1]=4 640 B4R0.2 CCSCS CHEBI:38829 [1,1,0,0,0,0|0,1,1]=4 641 B4R0.2 CC[NH2+]CC CHEBI:132181 [1,1,0,0,0,0|1,0,1]=4 642 B4R0.2 CC[Zn]CC CHEBI:51496 [1,1,0,0,0,0|1,0,1]=4 643 B4R0.2 CNCCO CHEBI:21763 [1,1,0,0,0,0|0,0,2]=4 644 B4R0.2 COCCO CHEBI:46790 [1,1,0,0,0,0|0,0,2]=4 645 B4R0.2 COCOC CHEBI:48341 [1,1,0,0,0,0|2,0,0]=4 646 B4R0.2 CSCCO CHEBI:63861 [1,1,0,0,0,0|0,0,2]=4 647 B4R0.2 C\C=C\C=C CHEBI:74165 [1,1,0,0,0,0|1,0,1]=4 648 B4R0.2 C\C=C\C=O CHEBI:41607 [1,1,0,0,0,0|0,0,1]=3 649 B4R0.2 C\C=C\CO CHEBI:62891 [1,1,0,0,0,0|0,0,2]=4 650 B4R0.2 [*]C#CC=O CHEBI:51720 [1,1,0,0,0,0|0,0,2]=4 651 B4R0.2 [*]CCC=O CHEBI:84587 [1,1,0,0,0,0|0,0,0]=2 652 B4R0.2 [Li]CCCC CHEBI:51469 [1,1,0,0,0,0|1,0,1]=4 653 B4R0.3 CC(C)(C)C CHEBI:30358 [1,1,0,0,0,0|0,0,1]=3 654 B4R0.3 CC(C)(C)N CHEBI:44639 [1,1,0,0,0,0|0,0,1]=3 655 B4R0.3 CC(C)(C)O CHEBI:45895 [1,1,0,0,0,0|0,0,1]=3 656 B4R0.3 CC(C)(C)[NH3+] CHEBI:224366 [1,1,0,0,0,0|0,0,1]=3 657 B4R0.3 CC(Cl)(Cl)Cl CHEBI:36015 [1,1,0,0,0,0|2,0,0]=4 658 B4R0.3 CP(=O)(C)O CHEBI:23814 [1,1,0,0,0,0|1,0,0]=3 659 B4R0.3 CP(=O)(O)O CHEBI:45129 [1,1,0,0,0,0|2,0,0]=4 660 B4R0.3 CP(=O)(O)[O-] CHEBI:68684 [1,1,0,0,0,0|2,0,0]=4 661 B4R0.3 CP(=O)([O-])[O-] CHEBI:68822 [1,1,0,0,0,0|2,0,0]=4 662 B4R0.3 CS(=O)(=O)C CHEBI:9349 [1,1,0,0,0,0|1,0,0]=3 663 B4R0.3 CS(=O)(=O)O CHEBI:27376 [1,1,0,0,0,0|2,0,0]=4 664 B4R0.3 CS(=O)(=O)[O-] CHEBI:25224 [1,1,0,0,0,0|2,0,0]=4 665 B4R0.3 CS(=O)(=O)[O-] CHEBI:63881 [1,1,0,0,0,0|2,0,0]=4 666 B4R0.3 C[As](=O)(C)C CHEBI:27131 [1,1,0,0,0,0|1,0,0]=3 667 B4R0.3 C[As](=O)(C)O CHEBI:48765 [1,1,0,0,0,0|1,0,0]=3 668 B4R0.3 C[As](=O)(C)[O-] CHEBI:16223 [1,1,0,0,0,0|1,0,0]=3 669 B4R0.3 C[As](=O)(C)[O-] CHEBI:62956 [1,1,0,0,0,0|1,0,0]=3 670 B4R0.3 C[As](=O)(O)O CHEBI:29852 [1,1,0,0,0,0|2,0,0]=4 671 B4R0.3 C[As](=O)(O)[O-] CHEBI:33409 [1,1,0,0,0,0|2,0,0]=4 672 B4R0.3 C[As](=O)([O-])[O-] CHEBI:16005 [1,1,0,0,0,0|2,0,0]=4 673 B4R0.3 C[N+](C)(C)C CHEBI:46020 [1,1,0,0,0,0|1,0,1]=4 674 B4R0.3 C[N+](C)(C)C CHEBI:55317 [1,1,0,0,0,0|1,0,1]=4 675 B4R0.3 C[N+](C)(C)[O-] CHEBI:15724 [1,1,0,0,0,0|1,0,1]=4 676 B4R0.3 C[Pb](C)(C)C CHEBI:30183 [1,1,0,0,0,0|1,0,1]=4 677 B4R0.3 C[Si](C)(C)C CHEBI:85361 [1,1,0,0,0,0|0,1,1]=4 678 B4R0.3 C[Si](C)(C)Cl CHEBI:85069 [1,1,0,0,0,0|0,1,1]=4 679 B4R0.3 C[Si](C)(O)O CHEBI:23816 [1,1,0,0,0,0|0,1,1]=4 680 B4R0.3 C[Sn](C)(C)C CHEBI:30420 [1,1,0,0,0,0|1,0,1]=4 681 B4R0.3 C[Te](=O)(=O)O CHEBI:70755 [1,1,0,0,0,0|2,0,0]=4 682 B4R0.3 C[Te](=O)(=O)[O-] CHEBI:71624 [1,1,0,0,0,0|2,0,0]=4 683 B4R0.3 C[Te](C)(Cl)Cl CHEBI:30471 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.1 CCC(C)CCO CHEBI:87381 [0,2,0,0,0,0|0,0,2]=4 686 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [0,2,0,0,0,0|0,0,1]=3 687 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [0,2,0,0,0,0|0,0,1]=3 688 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [0,2,0,0,0,0|0,0,1]=3 689 B6R0.1 CCOC(=O)C=O CHEBI:53275 [0,2,0,0,0,0|1,0,1]=4 690 B6R0.1 C\C(=C\C=O)\CO CHEBI:133364 [0,2,0,0,0,0|0,0,1]=3 691 B6R0.1 C\C=N\N(C)C=O CHEBI:5583 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [0,2,0,0,0,0|0,0,1]=3 693 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [0,2,0,0,0,0|1,0,1]=4 694 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [0,2,0,0,0,0|1,0,1]=4 695 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,2,0,0,0,0|0,0,0]=2 700 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,2,0,0,0,0|0,0,0]=2 701 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,2,0,0,0,0|1,0,0]=3 704 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,2,0,0,0,0|1,0,0]=3 706 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,2,0,0,0,0|1,0,0]=3 707 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,2,0,0,0,0|1,0,0]=3 709 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [0,2,0,0,0,0|1,0,0]=3 712 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,2,0,0,0,0|1,0,0]=3 713 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [0,2,0,0,0,0|1,0,1]=4 715 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [0,2,0,0,0,0|1,0,1]=4 720 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [0,2,0,0,0,0|1,0,1]=4 721 B6R0.3 C(=O)C(C(=O)[O-])O CHEBI:57978 [0,2,0,0,0,0|1,0,1]=4 722 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [0,2,0,0,0,0|1,0,1]=4 723 B6R0.3 C(=O)[C@@H](C(=O)[O-])N CHEBI:58671 [0,2,0,0,0,0|1,0,1]=4 724 B6R0.3 C(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:77662 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.3 C(C(=O)C(=O)O)Br CHEBI:131461 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.3 C(C(=O)C(=O)O)F CHEBI:55521 [0,2,0,0,0,0|1,0,1]=4 727 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [0,2,0,0,0,0|1,0,1]=4 729 B6R0.3 C(C(=O)C(=O)[O-])Br CHEBI:131592 [0,2,0,0,0,0|1,0,1]=4 730 B6R0.3 C(C(=O)C(=O)[O-])F CHEBI:55522 [0,2,0,0,0,0|1,0,1]=4 731 B6R0.3 C(C(=O)C(=O)[O-])O CHEBI:17180 [0,2,0,0,0,0|1,0,1]=4 732 B6R0.3 C(C(=O)C(=O)[O-])S CHEBI:57678 [0,2,0,0,0,0|1,0,1]=4 733 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,2,0,0,0,0|1,0,0]=3 735 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,2,0,0,0,0|1,0,0]=3 741 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,2,0,0,0,0|1,0,0]=3 744 B6R0.3 C(C(C(=O)[O-])N)N CHEBI:49983 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,2,0,0,0,0|1,0,0]=3 746 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [0,2,0,0,0,0|1,0,0]=3 747 B6R0.3 C(C(C(=O)[O-])N)[NH3+] CHEBI:58468 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.3 C(C(C(=O)[O-])N)[S-] CHEBI:32457 [0,2,0,0,0,0|1,0,0]=3 749 B6R0.3 C(C(C(=O)[O-])N)[Se-] CHEBI:32753 [0,2,0,0,0,0|1,0,0]=3 750 B6R0.3 C(C(C(=O)[O-])N)[SeH] CHEBI:32752 [0,2,0,0,0,0|1,0,0]=3 751 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,2,0,0,0,0|1,0,0]=3 753 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,2,0,0,0,0|1,0,0]=3 758 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,2,0,0,0,0|1,0,0]=3 759 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,2,0,0,0,0|1,0,0]=3 760 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,2,0,0,0,0|1,0,0]=3 761 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,2,0,0,0,0|1,0,0]=3 762 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,2,0,0,0,0|1,0,0]=3 763 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,2,0,0,0,0|1,0,0]=3 764 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,2,0,0,0,0|1,0,0]=3 765 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,2,0,0,0,0|1,0,0]=3 766 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,2,0,0,0,0|1,0,0]=3 767 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,2,0,0,0,0|1,0,0]=3 768 B6R0.3 C([C@@H](C(=O)[O-])N)N CHEBI:13043 [0,2,0,0,0,0|1,0,0]=3 769 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [0,2,0,0,0,0|1,0,0]=3 771 B6R0.3 C([C@@H](C(=O)[O-])N)[NH3+] CHEBI:57721 [0,2,0,0,0,0|1,0,0]=3 772 B6R0.3 C([C@@H](C(=O)[O-])N)[S-] CHEBI:32443 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.3 C([C@@H](C(=O)[O-])N)[Se-] CHEBI:32743 [0,2,0,0,0,0|1,0,0]=3 774 B6R0.3 C([C@@H](C(=O)[O-])N)[SeH] CHEBI:32742 [0,2,0,0,0,0|1,0,0]=3 775 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])Cl CHEBI:58132 [0,2,0,0,0,0|1,0,0]=3 776 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [0,2,0,0,0,0|1,0,0]=3 778 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:84374 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[SeH] CHEBI:57843 [0,2,0,0,0,0|1,0,0]=3 780 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,2,0,0,0,0|1,0,0]=3 781 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,2,0,0,0,0|1,0,0]=3 782 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,2,0,0,0,0|1,0,0]=3 784 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,2,0,0,0,0|1,0,0]=3 785 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,2,0,0,0,0|1,0,0]=3 786 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,2,0,0,0,0|1,0,0]=3 788 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,2,0,0,0,0|1,0,0]=3 789 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,2,0,0,0,0|1,0,0]=3 791 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.3 C([C@H](C(=O)[O-])N)[S-] CHEBI:32450 [0,2,0,0,0,0|1,0,0]=3 793 B6R0.3 C([C@H](C(=O)[O-])N)[Se-] CHEBI:32750 [0,2,0,0,0,0|1,0,0]=3 794 B6R0.3 C([C@H](C(=O)[O-])N)[SeH] CHEBI:32747 [0,2,0,0,0,0|1,0,0]=3 795 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [0,2,0,0,0,0|1,0,0]=3 796 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,2,0,0,0,0|1,0,0]=3 797 B6R0.3 C([C@H](C(=O)[O-])[NH3+])Cl CHEBI:47291 [0,2,0,0,0,0|1,0,0]=3 798 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,2,0,0,0,0|1,0,0]=3 799 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.3 CC(=C)C(=O)OC CHEBI:34840 [0,2,0,0,0,0|0,0,2]=4 801 B6R0.3 CC(=O)C(=O)OC CHEBI:51850 [0,2,0,0,0,0|1,0,1]=4 802 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [0,2,0,0,0,0|0,0,1]=3 803 B6R0.3 CC(C(=O)OC)O CHEBI:83221 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.3 CC(C)C(=O)OC CHEBI:73689 [0,2,0,0,0,0|0,0,0]=2 805 B6R0.3 CC(C)C(CO)O CHEBI:65058 [0,2,0,0,0,0|0,0,2]=4 806 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,2,0,0,0,0|0,0,1]=3 807 B6R0.3 CC(C=O)C(=O)[O-] CHEBI:57700 [0,2,0,0,0,0|0,0,1]=3 808 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,2,0,0,0,0|0,0,0]=2 809 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [0,2,0,0,0,0|0,0,0]=2 810 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,2,0,0,0,0|0,0,0]=2 811 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,2,0,0,0,0|0,0,0]=2 812 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [0,2,0,0,0,0|0,0,2]=4 813 B6R0.3 CCC(=C)C(=O)[O-] CHEBI:84979 [0,2,0,0,0,0|0,0,2]=4 814 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [0,2,0,0,0,0|1,0,1]=4 815 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [0,2,0,0,0,0|1,0,1]=4 816 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [0,2,0,0,0,0|1,0,1]=4 817 B6R0.3 CCC(=O)C(=O)[O-] CHEBI:16763 [0,2,0,0,0,0|1,0,1]=4 818 B6R0.3 CCC(=[NH2+])C(=O)[O-] CHEBI:76545 [0,2,0,0,0,0|1,0,1]=4 819 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,2,0,0,0,0|1,0,0]=3 820 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,2,0,0,0,0|1,0,0]=3 821 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [0,2,0,0,0,0|1,0,0]=3 822 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,2,0,0,0,0|1,0,0]=3 823 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,2,0,0,0,0|0,0,0]=2 824 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,2,0,0,0,0|0,0,0]=2 825 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,2,0,0,0,0|0,0,0]=2 826 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,2,0,0,0,0|0,0,2]=4 827 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,2,0,0,0,0|1,0,0]=3 828 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,2,0,0,0,0|1,0,0]=3 829 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [0,2,0,0,0,0|1,0,0]=3 830 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,2,0,0,0,0|1,0,0]=3 831 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [0,2,0,0,0,0|1,0,0]=3 832 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,2,0,0,0,0|0,0,0]=2 833 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,2,0,0,0,0|1,0,0]=3 834 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,2,0,0,0,0|1,0,0]=3 835 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,2,0,0,0,0|0,0,0]=2 836 B6R0.3 CN(C(=O)N)N=O CHEBI:50102 [0,2,0,0,0,0|2,0,0]=4 837 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,2,0,0,0,0|0,0,0]=2 838 B6R0.3 C[C@@H](C(=O)OC)O CHEBI:83222 [0,2,0,0,0,0|1,0,0]=3 839 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [0,2,0,0,0,0|0,0,0]=2 840 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,2,0,0,0,0|0,0,1]=3 841 B6R0.3 C[C@@H](C=O)C(=O)[O-] CHEBI:62413 [0,2,0,0,0,0|0,0,1]=3 842 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,2,0,0,0,0|0,0,0]=2 843 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [0,2,0,0,0,0|0,0,0]=2 844 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,2,0,0,0,0|0,0,0]=2 845 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,2,0,0,0,0|0,0,0]=2 846 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [0,2,0,0,0,0|0,0,0]=2 847 B6R0.3 C[C@H](C(=O)OC)O CHEBI:74611 [0,2,0,0,0,0|1,0,0]=3 848 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,2,0,0,0,0|0,0,0]=2 849 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [0,2,0,0,0,0|0,0,0]=2 850 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [0,2,0,0,0,0|0,0,0]=2 851 B6R0.3 C\C(=N\O)\C(=O)O CHEBI:15730 [0,2,0,0,0,0|1,0,1]=4 852 B6R0.3 C\C(=N\O)\C(=O)[O-] CHEBI:57487 [0,2,0,0,0,0|1,0,1]=4 853 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [0,2,0,0,0,0|0,0,1]=3 854 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [0,2,0,0,0,0|0,0,1]=3 855 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [0,2,0,0,0,0|1,0,1]=4 856 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [0,2,0,0,0,0|1,0,1]=4 857 B6R0.3 C\C=C(\C(=O)[O-])/N CHEBI:58739 [0,2,0,0,0,0|1,0,1]=4 858 B6R0.3 C\C=C(\C(=O)[O-])/[NH3+] CHEBI:48306 [0,2,0,0,0,0|1,0,1]=4 859 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [0,2,0,0,0,0|0,0,1]=3 860 B6R0.3 [*]OC(=O)C([*])N CHEBI:46874 [0,2,0,0,0,0|2,0,0]=4 861 B6R0.4 CC(=CCCN)C CHEBI:87502 [0,2,0,0,0,0|1,0,1]=4 862 B6R0.4 CC(=O)CCC=O CHEBI:87363 [0,2,0,0,0,0|1,0,1]=4 863 B6R0.4 CC(C)CCC=O CHEBI:17998 [0,2,0,0,0,0|0,0,0]=2 864 B6R0.4 CC(C)CCCO CHEBI:63910 [0,2,0,0,0,0|0,0,2]=4 865 B6R0.4 CC(C)CON=O CHEBI:46643 [0,2,0,0,0,0|0,0,1]=3 866 B6R0.4 CC(C)NCCN CHEBI:84288 [0,2,0,0,0,0|1,0,1]=4 867 B6R0.4 CC(C)\C=N\OC CHEBI:16616 [0,2,0,0,0,0|0,0,1]=3 868 B6R0.4 CC(C)\C=N\OC CHEBI:35961 [0,2,0,0,0,0|0,0,1]=3 869 B6R0.4 C[S+](C)CCC=O CHEBI:74027 [0,2,0,0,0,0|1,0,0]=3 870 B6R0.5 C[N+](C)(C)CC=O CHEBI:15710 [0,2,0,0,0,0|1,0,0]=3 871 B6R0.8 CC(CO)(CO)N CHEBI:991 [0,2,0,0,0,0|0,0,2]=4 872 B6R0.8 CCC(C)(C#N)O CHEBI:60954 [0,2,0,0,0,0|1,0,1]=4 873 B6R0.8 CCC(C)(CO)O CHEBI:131357 [0,2,0,0,0,0|0,0,2]=4 874 B6R0.8 CC[C@](C)(C#N)O CHEBI:60908 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.9 B(C=C)(OC)OC CHEBI:50984 [0,2,0,0,0,0|2,0,0]=4 876 B6R0.9 CCN(CC)N=O CHEBI:34873 [0,2,0,0,0,0|2,0,0]=4 877 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O CHEBI:30956 [0,2,0,0,0,0|2,0,0]=4 878 B6R0.7 C(=O)(C(Cl)(Cl)Cl)[O-] CHEBI:27455 [0,2,0,0,0,0|2,0,0]=4 879 B6R0.7 C(=O)(C(F)(F)F)Cl CHEBI:29138 [0,2,0,0,0,0|2,0,0]=4 880 B6R0.7 C(=O)(C(F)(F)F)O CHEBI:45892 [0,2,0,0,0,0|2,0,0]=4 881 B6R0.7 C(=O)(C(F)(F)F)[O-] CHEBI:27110 [0,2,0,0,0,0|2,0,0]=4 882 B6R0.7 C(=O)(C(F)(F)F)[O-] CHEBI:63885 [0,2,0,0,0,0|2,0,0]=4 883 B6R0.7 CC(C)(C(=O)O)N CHEBI:27971 [0,2,0,0,0,0|0,0,0]=2 884 B6R0.7 CC(C)(C(=O)O)O CHEBI:50129 [0,2,0,0,0,0|0,0,0]=2 885 B6R0.7 CC(C)(C(=O)[O-])O CHEBI:19641 [0,2,0,0,0,0|0,0,0]=2 886 B6R0.7 CC(C)(C)C(=O)O CHEBI:45133 [0,2,0,0,0,0|0,0,0]=2 887 B6R0.7 CC(C)(C)C(=O)[O-] CHEBI:63883 [0,2,0,0,0,0|0,0,0]=2 888 B6R0.7 CC(C)(C)C(=O)[O-] CHEBI:63894 [0,2,0,0,0,0|0,0,0]=2 889 B6R0.7 CC(C)S(=O)(=O)O CHEBI:62079 [0,2,0,0,0,0|1,0,0]=3 890 B6R0.7 CC(C)S(=O)(=O)[O-] CHEBI:62080 [0,2,0,0,0,0|1,0,0]=3 891 B6R0.7 C[C@H](N)P(=O)(O)O CHEBI:4075 [0,2,0,0,0,0|2,0,0]=4 892 B4R1.1 C1C=CO1 CHEBI:51195 [1,0,0,1,0,0|0,0,2]=4 893 B4R1.1 C1CC=C1 CHEBI:51206 [1,0,0,1,0,0|1,0,0]=3 894 B4R1.1 C1CCC1 CHEBI:30377 [1,0,0,1,0,0|1,0,1]=4 895 B4R1.1 C1CNC1 CHEBI:30968 [1,0,0,1,0,0|1,0,1]=4 896 B4R1.1 C1COC1 CHEBI:30965 [1,0,0,1,0,0|0,0,2]=4 897 B4R1.1 C1CSC1 CHEBI:87565 [1,0,0,1,0,0|0,1,1]=4 898 B4R1.2 C1CC1N CHEBI:34660 [1,0,0,1,0,0|1,0,1]=4 899 B4R1.2 CC1=CC1 CHEBI:132592 [1,0,0,1,0,0|1,0,1]=4 900 B4R1.2 CC1CO1 CHEBI:38685 [1,0,0,1,0,0|0,0,2]=4 901 B4R1.2 C[C@@H]1CO1 CHEBI:28985 [1,0,0,1,0,0|0,0,2]=4 902 B4R1.2 C[C@H]1CO1 CHEBI:28982 [1,0,0,1,0,0|0,0,2]=4 903 B6R1.2 CC1=CCCO1 CHEBI:51677 [0,1,0,1,0,0|1,0,1]=4 904 B6R1.2 CC1=COCC1 CHEBI:51678 [0,1,0,1,0,0|0,0,2]=4 905 B6R1.2 CC1COC=C1 CHEBI:51679 [0,1,0,1,0,0|0,0,1]=3 906 B6R1.2 C[C@@H]1CCCN1 CHEBI:78858 [0,1,0,1,0,0|1,0,1]=4 907 B6R1.2 C[C@@H]1CCC[NH2+]1 CHEBI:78222 [0,1,0,1,0,0|1,0,1]=4 908 B6R1.2 C[C@@H]1COC=C1 CHEBI:51680 [0,1,0,1,0,0|0,0,1]=3 909 B6R1.2 C[N+]1=CCCC1 CHEBI:27435 [0,1,0,1,0,0|2,0,0]=4 910 B6R1.11 C1CC1C(=O)N CHEBI:51457 [0,1,0,1,0,0|0,0,0]=2 911 B6R1.11 C1CC1C(=O)O CHEBI:23500 [0,1,0,1,0,0|0,0,0]=2 912 B6R1.11 C1CC1C(=O)[O-] CHEBI:36128 [0,1,0,1,0,0|0,0,0]=2 913 B6R1.7 C[C@]1(CO1)C=C CHEBI:131720 [0,1,0,1,0,0|1,0,0]=3 914 B6R2.4 C1CC2C1C2 CHEBI:49287 [0,0,0,2,0,0|1,0,1]=4 915 B6R2.4 C1C[C@@H]2[C@H]1C2 CHEBI:49288 [0,0,0,2,0,0|1,0,1]=4