0 B6R0.5 C(C=O)P(=O)(O)O CHEBI:18124 [0,0,0,0,0,0|1,1,2]=4 1 B6R0.5 C(C=O)P(=O)(O)[O-] CHEBI:58383 [0,0,0,0,0,0|1,1,2]=4 2 B6R0.5 C(C=O)S(=O)(=O)O CHEBI:17717 [0,0,0,0,0,0|0,1,1]=2 3 B6R0.5 C(C=O)S(=O)(=O)[O-] CHEBI:58246 [0,0,0,0,0,0|0,1,2]=3 4 B6R0.5 C(CCl)P(=O)(O)O CHEBI:52741 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.5 C(CP(=O)(O)O)N CHEBI:15573 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.5 C(CP(=O)(O)O)O CHEBI:1159 [0,0,0,0,0,0|1,1,1]=3 7 B6R0.5 C(CP(=O)(O)[O-])O CHEBI:60991 [0,0,0,0,0,0|1,1,1]=3 8 B6R0.5 C(CP(=O)(O)[O-])[NH3+] CHEBI:57418 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.5 C(CS(=O)(=O)O)N CHEBI:15891 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.5 C(CS(=O)(=O)O)O CHEBI:1157 [0,0,0,0,0,0|0,1,0]=1 11 B6R0.5 C(CS(=O)(=O)O)S CHEBI:17905 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.5 C(CS(=O)(=O)[O-])N CHEBI:32970 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.5 C(CS(=O)(=O)[O-])O CHEBI:61904 [0,0,0,0,0,0|0,1,1]=2 14 B6R0.5 C(CS(=O)(=O)[O-])S CHEBI:58319 [0,0,0,0,0,0|0,0,1]=1 15 B6R0.5 C(CS(=O)(=O)[O-])[NH3+] CHEBI:507393 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.5 CCOP(=O)(O)O CHEBI:42383 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.5 CCOP(=O)(O)[O-] CHEBI:59759 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.5 CCOS(=O)(=O)C CHEBI:23994 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.5 CS(=O)(=O)CC#N CHEBI:32444 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C#CCC(=O)O CHEBI:1461 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C(C(=O)O)NO CHEBI:38049 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [1,0,0,0,0,0|1,1,1]=4 24 B5R0.1 C(CN)C(=O)N CHEBI:55360 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 C(CN)C(=O)O CHEBI:16958 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C(CO)C(=O)O CHEBI:33404 [1,0,0,0,0,0|1,1,0]=3 28 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [1,0,0,0,0,0|1,1,1]=4 29 B5R0.1 C(CS(=O)O)N CHEBI:16668 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 C(CS(=O)[O-])[NH3+] CHEBI:57853 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 C(CS)C(=O)O CHEBI:44111 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C=CCC(=O)O CHEBI:35897 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(=O)CCO CHEBI:41268 [1,0,0,0,0,0|2,1,0]=4 37 B5R0.1 CC(CCO)O CHEBI:52683 [1,0,0,0,0,0|2,1,0]=4 38 B5R0.1 CCCC(=O)C CHEBI:16472 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CCCC(=O)N CHEBI:50724 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CCCC(=O)O CHEBI:30772 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CCCC(C)O CHEBI:77518 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CCOC(=O)O CHEBI:50849 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CCOP(=O)O CHEBI:40926 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 CNCC(=O)O CHEBI:15611 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 COCC(=O)O CHEBI:132098 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CSCC(=O)O CHEBI:47870 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [1,0,0,0,0,0|2,1,0]=4 51 B5R0.1 C[C@H](CCO)O CHEBI:52687 [1,0,0,0,0,0|2,1,0]=4 52 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.4 C(N)P(=O)(O)O CHEBI:28812 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.4 C(O)P(=O)(O)O CHEBI:5810 [1,0,0,0,0,0|1,1,1]=4 55 B5R0.4 C(O)P(=O)(O)[O-] CHEBI:71199 [1,0,0,0,0,0|1,1,1]=4 56 B5R0.4 CCC(C)(C)O CHEBI:132750 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.4 CCS(=O)(=O)O CHEBI:42465 [1,0,0,0,0,0|0,0,0]=1 58 B5R0.4 CCS(=O)(=O)[O-] CHEBI:61909 [1,0,0,0,0,0|0,0,1]=2 59 B5R0.4 COP(=O)(O)O CHEBI:340824 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.4 COS(=O)(=O)C CHEBI:25255 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.4 COS(=O)(=O)O CHEBI:17760 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.4 COS(=O)(=O)[O-] CHEBI:58261 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.4 CSS(=O)(=O)C CHEBI:74357 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.4 OOS(=O)(=O)O CHEBI:29286 [1,0,0,0,0,0|1,1,0]=3 65 B5R0.4 OOS(=O)(=O)[O-] CHEBI:33525 [1,0,0,0,0,0|1,1,1]=4 66 B5R0.4 OS(=O)(=O)O[O-] CHEBI:33524 [1,0,0,0,0,0|1,1,0]=3 67 B5R0.4 OS(=O)(=O)O[O] CHEBI:29929 [1,0,0,0,0,0|1,1,0]=3 68 B5R0.4 [*]CS(=O)(=O)[O-] CHEBI:62081 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.4 [*]S(=O)(=O)O[*] CHEBI:83347 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.4 [O-]OS(=O)(=O)[O-] CHEBI:29288 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.8 C(COP(=O)(O)O)N CHEBI:17553 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.8 C(COP(=O)(O)O)O CHEBI:111507 [0,1,0,0,0,0|1,1,1]=4 73 B7R0.8 C(CSP(=O)(O)O)N CHEBI:74951 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.8 CCCCP(=O)(O)O CHEBI:41384 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.8 CCCCS(=O)(=O)O CHEBI:61958 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.8 CCCCS(=O)(=O)[O-] CHEBI:61911 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.8 CNCCP(=O)(O)O CHEBI:7328 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.8 CSCCS(=O)(=O)O CHEBI:17827 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.8 CSCCS(=O)(=O)[O-] CHEBI:58286 [0,1,0,0,0,0|0,0,1]=2 80 B7R0.9 C(C(=O)O)S(=O)(=O)O CHEBI:50519 [0,1,0,0,0,0|0,1,1]=3 81 B7R0.9 C(C(=O)[O-])S(=O)(=O)[O-] CHEBI:58824 [0,1,0,0,0,0|0,1,2]=4 82 B7R0.9 CC(=O)OS(=O)(=O)O CHEBI:48979 [0,1,0,0,0,0|1,1,1]=4 83 B7R0.9 CC(CP(=O)(O)O)O CHEBI:1171 [0,1,0,0,0,0|1,1,1]=4 84 B7R0.9 C[C@@H](CP(=O)(O)O)O CHEBI:45410 [0,1,0,0,0,0|1,1,1]=4 85 B7R0.9 C[C@@H](CP(=O)(O)[O-])O CHEBI:62246 [0,1,0,0,0,0|1,1,1]=4 86 B7R0.14 C(C(O)P(=O)(O)O)N CHEBI:631 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.14 C(C(O)P(=O)(O)[O-])[NH3+] CHEBI:78245 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.14 C1CCS(=O)(=O)C1 CHEBI:74794 [0,0,0,1,0,0|2,0,0]=3 89 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 C(C(=O)O)F CHEBI:30775 [2,0,0,0,0,0|2,0,0]=4 91 B4R0.1 C(C(=O)O)I CHEBI:74571 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.1 C(C(=O)O)N CHEBI:15428 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 C(C(=O)O)O CHEBI:17497 [2,0,0,0,0,0|1,1,0]=4 94 B4R0.1 C(C(=O)O)S CHEBI:30065 [2,0,0,0,0,0|1,0,0]=3 95 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 CCC(=O)C CHEBI:28398 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 CCC(=O)N CHEBI:45422 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 CCC(=O)O CHEBI:30768 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.1 CCC(=O)[O-] CHEBI:132106 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.1 CCC(=O)[O-] CHEBI:17272 [2,0,0,0,0,0|1,0,1]=4 103 B4R0.1 CCC(=O)[O-] CHEBI:63884 [2,0,0,0,0,0|1,0,1]=4 104 B4R0.1 CCC(C)O CHEBI:35687 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 CC[C@@H](C)O CHEBI:35686 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CC[C@H](C)O CHEBI:45475 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [2,0,0,0,0,0|1,0,1]=4 108 B4R0.1 CNC(=O)O CHEBI:45379 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.2 C(CN)C=O CHEBI:18090 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.2 C(CN)C=O CHEBI:27390 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.2 C(CN)CS CHEBI:38933 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.2 C(CO)C=O CHEBI:17871 [2,0,0,0,0,0|1,1,0]=4 113 B4R0.2 C(CO)CO CHEBI:16109 [2,0,0,0,0,0|1,1,0]=4 114 B4R0.2 C(CS)CS CHEBI:44864 [2,0,0,0,0,0|1,1,0]=4 115 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.2 CCCC=O CHEBI:15743 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 CCCCO CHEBI:28885 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.2 CCCSO CHEBI:91018 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 [*]CCC=O CHEBI:84587 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.3 CP(=O)(C)O CHEBI:23814 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.3 CP(=O)(O)O CHEBI:45129 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.3 CP(=O)(O)[O-] CHEBI:68684 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.3 CS(=O)(=O)C CHEBI:9349 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.3 CS(=O)(=O)O CHEBI:27376 [2,0,0,0,0,0|0,0,0]=2 125 B4R0.3 CS(=O)(=O)[O-] CHEBI:25224 [2,0,0,0,0,0|0,0,1]=3 126 B4R0.3 CS(=O)(=O)[O-] CHEBI:63881 [2,0,0,0,0,0|0,0,1]=3 127 B4R0.3 C[As](=O)(C)O CHEBI:48765 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.3 C[As](=O)(O)O CHEBI:29852 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.3 C[As](=O)(O)[O-] CHEBI:33409 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.3 C[Te](=O)(=O)O CHEBI:70755 [2,0,0,0,0,0|0,1,0]=3 131 B4R0.3 C[Te](=O)(=O)[O-] CHEBI:71624 [2,0,0,0,0,0|0,1,1]=4 132 B4R0.3 NS(=O)(=O)N CHEBI:29368 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.3 NS(=O)(=O)O CHEBI:9330 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.3 O=S(=O)(Cl)Cl CHEBI:29291 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.3 O=S(=O)(F)Cl CHEBI:39445 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.3 O=S(=O)(F)F CHEBI:39287 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.3 O=S(=O)(S)S CHEBI:50495 [2,0,0,0,0,0|0,1,0]=3 138 B4R0.3 O=S(=O)([O])[S-] CHEBI:29394 [2,0,0,0,0,0|0,0,2]=4 139 B4R0.3 OBr(=O)(=O)=O CHEBI:29245 [2,0,0,0,0,0|1,1,0]=4 140 B4R0.3 OCl(=O)(=O)=O CHEBI:29221 [2,0,0,0,0,0|1,1,0]=4 141 B4R0.3 OI(=O)(=O)=O CHEBI:29149 [2,0,0,0,0,0|1,1,0]=4 142 B4R0.3 OP(=O)(O)S CHEBI:46613 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.3 OS(=O)(=O)O CHEBI:26836 [2,0,0,0,0,0|0,1,0]=3 144 B4R0.3 OS(=O)(=O)S CHEBI:5587 [2,0,0,0,0,0|0,0,0]=2 145 B4R0.3 OS(=O)(=O)[O-] CHEBI:45696 [2,0,0,0,0,0|0,1,0]=3 146 B4R0.3 OS(=O)(=O)[O] CHEBI:29407 [2,0,0,0,0,0|0,1,0]=3 147 B4R0.3 OS(=O)(=O)[S-] CHEBI:33539 [2,0,0,0,0,0|0,0,1]=3 148 B4R0.3 OS(=O)(=S)O CHEBI:29279 [2,0,0,0,0,0|0,0,2]=4 149 B4R0.3 O[Cr](=O)(=O)O CHEBI:33143 [2,0,0,0,0,0|1,1,0]=4 150 B4R0.3 O[Cr](=O)(=O)[O-] CHEBI:33144 [2,0,0,0,0,0|1,1,0]=4 151 B4R0.3 O[Mn](=O)(=O)=O CHEBI:35124 [2,0,0,0,0,0|1,1,0]=4 152 B4R0.3 O[Mn](=O)(=O)O CHEBI:35119 [2,0,0,0,0,0|1,1,0]=4 153 B4R0.3 O[Mn](=O)(=O)[O-] CHEBI:35123 [2,0,0,0,0,0|1,1,0]=4 154 B4R0.3 O[Mo](=O)(=O)O CHEBI:25371 [2,0,0,0,0,0|1,1,0]=4 155 B4R0.3 O[Mo](=O)(=O)[O-] CHEBI:36263 [2,0,0,0,0,0|1,1,0]=4 156 B4R0.3 O[Se](=O)(=O)O CHEBI:18170 [2,0,0,0,0,0|0,2,0]=4 157 B4R0.3 O[Se](=O)(=O)[O-] CHEBI:33490 [2,0,0,0,0,0|0,2,0]=4 158 B4R0.3 O[Te](=O)(=O)O CHEBI:30463 [2,0,0,0,0,0|0,2,0]=4 159 B4R0.3 O[Te](=O)(=O)[O-] CHEBI:36287 [2,0,0,0,0,0|0,2,0]=4 160 B4R0.3 O[W](=O)(=O)O CHEBI:36272 [2,0,0,0,0,0|1,1,0]=4 161 B4R0.3 O[W](=O)(=O)[O-] CHEBI:36271 [2,0,0,0,0,0|1,1,0]=4 162 B4R0.3 [O-]S(=O)(=O)S CHEBI:33542 [2,0,0,0,0,0|0,0,1]=3 163 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:131378 [2,0,0,0,0,0|0,1,1]=4 164 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:131387 [2,0,0,0,0,0|0,1,1]=4 165 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:131523 [2,0,0,0,0,0|0,1,1]=4 166 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:131524 [2,0,0,0,0,0|0,1,1]=4 167 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:132758 [2,0,0,0,0,0|0,1,1]=4 168 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:132762 [2,0,0,0,0,0|0,1,1]=4 169 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:133326 [2,0,0,0,0,0|0,1,1]=4 170 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:16189 [2,0,0,0,0,0|0,1,1]=4 171 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:23414 [2,0,0,0,0,0|0,1,1]=4 172 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:31346 [2,0,0,0,0,0|0,1,1]=4 173 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:31440 [2,0,0,0,0,0|0,1,1]=4 174 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:31795 [2,0,0,0,0,0|0,1,1]=4 175 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32036 [2,0,0,0,0,0|0,1,1]=4 176 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32149 [2,0,0,0,0,0|0,1,1]=4 177 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32312 [2,0,0,0,0,0|0,1,1]=4 178 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32583 [2,0,0,0,0,0|0,1,1]=4 179 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32584 [2,0,0,0,0,0|0,1,1]=4 180 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32586 [2,0,0,0,0,0|0,1,1]=4 181 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:32599 [2,0,0,0,0,0|0,1,1]=4 182 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:33146 [2,0,0,0,0,0|0,1,1]=4 183 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:35176 [2,0,0,0,0,0|0,1,1]=4 184 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:50292 [2,0,0,0,0,0|0,1,1]=4 185 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53001 [2,0,0,0,0,0|0,1,1]=4 186 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53437 [2,0,0,0,0,0|0,1,1]=4 187 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53438 [2,0,0,0,0,0|0,1,1]=4 188 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53470 [2,0,0,0,0,0|0,1,1]=4 189 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53471 [2,0,0,0,0,0|0,1,1]=4 190 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53473 [2,0,0,0,0,0|0,1,1]=4 191 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53474 [2,0,0,0,0,0|0,1,1]=4 192 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53502 [2,0,0,0,0,0|0,1,1]=4 193 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:53504 [2,0,0,0,0,0|0,1,1]=4 194 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:62946 [2,0,0,0,0,0|0,1,1]=4 195 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:74768 [2,0,0,0,0,0|0,1,1]=4 196 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:74779 [2,0,0,0,0,0|0,1,1]=4 197 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:74780 [2,0,0,0,0,0|0,1,1]=4 198 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:75832 [2,0,0,0,0,0|0,1,1]=4 199 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:75834 [2,0,0,0,0,0|0,1,1]=4 200 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:75836 [2,0,0,0,0,0|0,1,1]=4 201 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:76181 [2,0,0,0,0,0|0,1,1]=4 202 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:76243 [2,0,0,0,0,0|0,1,1]=4 203 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86149 [2,0,0,0,0,0|0,1,1]=4 204 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86151 [2,0,0,0,0,0|0,1,1]=4 205 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86157 [2,0,0,0,0,0|0,1,1]=4 206 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86356 [2,0,0,0,0,0|0,1,1]=4 207 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86358 [2,0,0,0,0,0|0,1,1]=4 208 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86360 [2,0,0,0,0,0|0,1,1]=4 209 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86364 [2,0,0,0,0,0|0,1,1]=4 210 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86463 [2,0,0,0,0,0|0,1,1]=4 211 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:86465 [2,0,0,0,0,0|0,1,1]=4 212 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:87009 [2,0,0,0,0,0|0,1,1]=4 213 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:87011 [2,0,0,0,0,0|0,1,1]=4 214 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:87014 [2,0,0,0,0,0|0,1,1]=4 215 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:87020 [2,0,0,0,0,0|0,1,1]=4 216 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:91240 [2,0,0,0,0,0|0,1,1]=4 217 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:91244 [2,0,0,0,0,0|0,1,1]=4 218 B4R0.3 [O-]S(=O)(=O)[O-] CHEBI:91246 [2,0,0,0,0,0|0,1,1]=4 219 B4R0.3 [O-]S(=O)(=O)[O] CHEBI:29406 [2,0,0,0,0,0|0,1,1]=4 220 B4R0.3 [O-]S(=O)(=O)[S-] CHEBI:132112 [2,0,0,0,0,0|0,0,2]=4 221 B4R0.3 [O-]S(=O)(=O)[S-] CHEBI:16094 [2,0,0,0,0,0|0,0,2]=4 222 B4R0.3 [O-]S(=O)(=O)[S-] CHEBI:32150 [2,0,0,0,0,0|0,0,2]=4 223 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [1,1,0,0,0,0|1,1,0]=4 226 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [1,1,0,0,0,0|1,1,0]=4 227 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [1,1,0,0,0,0|1,1,0]=4 228 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [1,1,0,0,0,0|1,1,0]=4 232 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [1,1,0,0,0,0|1,1,0]=4 235 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [1,1,0,0,0,0|1,1,0]=4 237 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [1,1,0,0,0,0|1,1,0]=4 238 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [1,1,0,0,0,0|1,1,0]=4 240 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [1,1,0,0,0,0|1,1,0]=4 245 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [1,1,0,0,0,0|1,0,0]=3 246 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [1,1,0,0,0,0|1,1,0]=4 250 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [1,1,0,0,0,0|1,1,0]=4 251 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [1,1,0,0,0,0|1,0,0]=3 252 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [1,1,0,0,0,0|1,1,0]=4 253 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [1,1,0,0,0,0|1,1,0]=4 255 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [1,1,0,0,0,0|1,1,0]=4 259 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [1,1,0,0,0,0|1,1,0]=4 262 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [1,1,0,0,0,0|1,1,0]=4 264 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [1,1,0,0,0,0|1,1,0]=4 265 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [1,1,0,0,0,0|1,0,0]=3 266 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [1,1,0,0,0,0|1,1,0]=4 267 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [1,1,0,0,0,0|1,1,0]=4 271 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [1,1,0,0,0,0|1,1,0]=4 282 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [1,1,0,0,0,0|1,1,0]=4 284 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,1,0,0,0,0|1,1,0]=4 286 B6R0.4 C(COS(=O)=O)O CHEBI:131362 [1,1,0,0,0,0|0,1,0]=3 287 B6R0.4 C=CCCC(=O)O CHEBI:35936 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.4 CC(=O)NCCS CHEBI:74410 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.4 CSCCC(=O)O CHEBI:1438 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.7 CC(C)S(=O)(=O)O CHEBI:62079 [1,1,0,0,0,0|0,0,0]=2 294 B6R0.7 CC(C)S(=O)(=O)[O-] CHEBI:62080 [1,1,0,0,0,0|0,0,1]=3 295 B6R0.7 C[C@H](N)P(=O)(O)O CHEBI:4075 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.7 OS(=O)S(=O)(=O)O CHEBI:29252 [1,1,0,0,0,0|1,1,0]=4 297 B6R0.8 CNS(=O)(=O)OC CHEBI:51873 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.8 COS(=O)(=O)OC CHEBI:59050 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.8 [*]OS(=O)(=O)O[*] CHEBI:26819 [1,1,0,0,0,0|2,0,0]=4 300 B8R0.24 C(C(C=O)O)S(=O)(=O)O CHEBI:77265 [0,2,0,0,0,0|0,1,0]=3 301 B8R0.24 C(C(C=O)O)S(=O)(=O)[O-] CHEBI:77135 [0,2,0,0,0,0|0,1,1]=4 302 B8R0.24 C(C(CS(=O)(=O)O)O)O CHEBI:77267 [0,2,0,0,0,0|0,1,0]=3 303 B8R0.24 C(C(CS(=O)(=O)O)S)S CHEBI:888 [0,2,0,0,0,0|0,0,0]=2 304 B8R0.24 C(C(CS(=O)(=O)[O-])O)O CHEBI:77138 [0,2,0,0,0,0|0,1,1]=4 305 B8R0.24 C([C@@H](C=O)O)S(=O)(=O)O CHEBI:90104 [0,2,0,0,0,0|0,1,0]=3 306 B8R0.24 C([C@@H](C=O)O)S(=O)(=O)[O-] CHEBI:88099 [0,2,0,0,0,0|0,1,1]=4 307 B8R0.24 C([C@H](C=O)O)S(=O)(=O)O CHEBI:90264 [0,2,0,0,0,0|0,1,0]=3 308 B8R0.24 C([C@H](C=O)O)S(=O)(=O)[O-] CHEBI:90109 [0,2,0,0,0,0|0,1,1]=4 309 B8R0.24 C([C@H](CS(=O)(=O)O)O)O CHEBI:60996 [0,2,0,0,0,0|0,1,0]=3 310 B8R0.24 C([C@H](CS(=O)(=O)[O-])O)O CHEBI:60997 [0,2,0,0,0,0|0,1,1]=4 311 B8R0.29 C(CS(=O)(=O)O)C(=O)O CHEBI:74031 [0,2,0,0,0,0|0,1,0]=3 312 B6R1.2 C1CC(=O)OC1 CHEBI:42639 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.11 C1CC1C(=O)O CHEBI:23500 [1,0,0,1,0,0|2,0,0]=4