0 B6R0.1 C(=C/N)/C(=O)OO CHEBI:59892 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC(=O)OCC CHEBI:41330 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCOC(=O)C#C CHEBI:51740 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)C=O CHEBI:53275 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCS(=O)CCO CHEBI:38736 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 COC(=O)CC#N CHEBI:51928 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 COCC(=O)CO CHEBI:37551 [0,0,0,0,0,0|2,1,0]=3 8 B6R0.1 [*]C#CC(=O)O[*] CHEBI:51743 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C#CCC(=O)O CHEBI:1461 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 C#CCC(=O)[O-] CHEBI:62211 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C(=C\Cl)/C(=O)O CHEBI:19982 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 C(C(=O)O)NO CHEBI:38049 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C(CN)C(=O)N CHEBI:55360 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 C(CN)C(=O)O CHEBI:16958 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C(CO)C(=O)O CHEBI:33404 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C(CS(=O)O)N CHEBI:16668 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C(CS)C(=O)O CHEBI:44111 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C=CCC(=O)O CHEBI:35897 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 C=CCC(=O)[O-] CHEBI:35900 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC(=C)CCO CHEBI:62898 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CC(=O)CC=C CHEBI:87508 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 CC(=O)CCO CHEBI:41268 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(=O)OC=C CHEBI:46916 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC=CC(=O)C CHEBI:89540 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CCCC(=O)C CHEBI:16472 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CCCC(=O)N CHEBI:50724 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CCCC(=O)O CHEBI:30772 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 CCCC(C)O CHEBI:77518 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CCNC(=O)C CHEBI:87370 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CCOC(=O)C CHEBI:27750 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CCOC(=O)N CHEBI:17967 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CCOC(=O)O CHEBI:50849 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CCOP(=O)O CHEBI:40926 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.1 CNCC(=O)O CHEBI:15611 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 COCC(=O)O CHEBI:132098 [1,0,0,0,0,0|0,1,0]=2 49 B5R0.1 COCC(=O)[O-] CHEBI:132096 [1,0,0,0,0,0|0,1,1]=3 50 B5R0.1 COCC(=O)[O-] CHEBI:132097 [1,0,0,0,0,0|0,1,1]=3 51 B5R0.1 CSCC(=O)O CHEBI:47870 [1,0,0,0,0,0|0,0,0]=1 52 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [1,0,0,0,0,0|0,0,1]=2 53 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.1 C\C=C/C(=O)[O-] CHEBI:36254 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 C\C=C\C(=O)[O-] CHEBI:35899 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.1 C\C=C\C(=O)[O-] CHEBI:36258 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.1 [*]C(=O)OCC CHEBI:13209 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 CCCCCC CHEBI:29021 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 CCCCNC CHEBI:59019 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CCC\C=N\O CHEBI:59012 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 COCCOC CHEBI:42263 [1,0,0,0,0,0|0,1,1]=3 66 B5R0.2 CSCCC=O CHEBI:49017 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 CSCCCN CHEBI:16696 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CSCCCO CHEBI:49019 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 CSCCC[NH3+] CHEBI:57866 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 CSC\C=N\O CHEBI:50716 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [1,0,0,0,0,0|2,1,0]=4 72 B5R0.3 C(C(=O)CO)O CHEBI:16016 [1,0,0,0,0,0|2,1,0]=4 73 B5R0.3 C(C(=O)NO)N CHEBI:75426 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.3 CCC(=O)CC CHEBI:87755 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.3 CCC(C)NC CHEBI:84267 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 CCC(CC)N CHEBI:84248 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 CCC(CC)O CHEBI:77519 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.3 CNC(=O)CS CHEBI:38731 [1,0,0,0,0,0|1,0,0]=2 79 B5R0.3 CNC(=O)NC CHEBI:80472 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 COC(=O)CN CHEBI:87375 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.3 COC(=O)OC CHEBI:36596 [1,0,0,0,0,0|0,1,0]=2 82 B5R0.3 COS(=O)OC CHEBI:48858 [1,0,0,0,0,0|1,1,0]=3 83 B5R0.3 CO[Se](=O)OC CHEBI:48842 [1,0,0,0,0,0|1,1,0]=3 84 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.2 CCC(=O)CC(=O)[O-] CHEBI:20177 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.2 COC(=O)NC(=O)N CHEBI:2600 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.2 C\C(=C/C(=O)OC)\O CHEBI:38726 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.2 [*]SC(=O)CC(=O)C CHEBI:2393 [0,1,0,0,0,0|2,1,0]=4 90 B7R0.3 CCCCC(=O)C=C CHEBI:87567 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.3 CCCCC(=O)CC CHEBI:50139 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.3 CCOCC(=O)CO CHEBI:37552 [0,1,0,0,0,0|2,1,0]=4 93 B7R0.3 COC(=O)CCCN CHEBI:42955 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.5 CCCC(=O)C(=O)C CHEBI:87583 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 CCCC(=O)C(=O)O CHEBI:33033 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.5 CCCC(=O)C(=O)[O-] CHEBI:28644 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.5 CCOC(=O)C(C)C CHEBI:87303 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.5 CCOC(=O)C(C)O CHEBI:78321 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.5 CCOC(=O)[C@@H](C)O CHEBI:78323 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.5 CCOC(=O)[C@H](C)O CHEBI:78322 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.7 CCOC(=O)\C=C/C CHEBI:87334 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.7 CCOP(=O)OCC CHEBI:41962 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.10 CC(\C(=N/O)\C)SC CHEBI:38469 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.10 CCC(C(=O)CC)O CHEBI:18351 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)[C@H](CS)N CHEBI:41531 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.10 CSC(=O)[C@@H](CO)O CHEBI:17163 [0,1,0,0,0,0|2,1,0]=4 107 B7R0.10 [*]OC(=O)[C@H](CS)N CHEBI:61894 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.2 C1CC(=O)CC1=O CHEBI:41456 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.3 C1CC(=O)CC=C1 CHEBI:48952 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 C1CC=CC(=O)C1 CHEBI:15977 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.3 C1CCC(=O)CC1 CHEBI:17854 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.3 C1CCNC(=O)C1 CHEBI:77761 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.3 C1CCOC(=O)C1 CHEBI:16545 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.4 C1C(C(=O)NS1)N CHEBI:64599 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.4 CC1C(=O)CCS1 CHEBI:87506 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.4 CN1CCCC1=O CHEBI:7307 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.22 COC(=O)C1CC1 CHEBI:131412 [0,0,0,1,0,0|1,0,0]=2 121 B4R0.1 C#CC(=O)O CHEBI:33199 [2,0,0,0,0,0|0,0,2]=4 122 B4R0.1 C(=N)C(=O)O CHEBI:53647 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.1 C(=O)(NN)O CHEBI:38662 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 C(=O)C(=O)O CHEBI:16891 [2,0,0,0,0,0|0,1,1]=4 125 B4R0.1 C(C(=O)N)F CHEBI:53124 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 C(C(=O)N)N CHEBI:42843 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 C(C(=O)N)O CHEBI:30321 [2,0,0,0,0,0|1,1,0]=4 128 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.1 C(C(=O)O)F CHEBI:30775 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.1 C(C(=O)O)I CHEBI:74571 [2,0,0,0,0,0|1,0,0]=3 131 B4R0.1 C(C(=O)O)N CHEBI:15428 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 C(C(=O)O)O CHEBI:17497 [2,0,0,0,0,0|0,1,0]=3 133 B4R0.1 C(C(=O)O)S CHEBI:30065 [2,0,0,0,0,0|0,0,0]=2 134 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.1 C(C(=O)S)N CHEBI:46799 [2,0,0,0,0,0|1,1,0]=4 136 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [2,0,0,0,0,0|1,0,1]=4 137 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [2,0,0,0,0,0|0,1,1]=4 141 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [2,0,0,0,0,0|0,1,1]=4 142 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [2,0,0,0,0,0|0,0,1]=3 143 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [2,0,0,0,0,0|0,0,1]=3 144 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [2,0,0,0,0,0|0,0,2]=4 146 B4R0.1 C=CC(=O)O CHEBI:18308 [2,0,0,0,0,0|0,0,2]=4 147 B4R0.1 CC(=O)C#C CHEBI:48060 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.1 CC(=O)C=C CHEBI:48058 [2,0,0,0,0,0|0,0,2]=4 149 B4R0.1 CC(=O)C=O CHEBI:17158 [2,0,0,0,0,0|0,1,1]=4 150 B4R0.1 CC(=O)CBr CHEBI:51845 [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CC(=O)CCl CHEBI:47220 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 CC(=O)CN CHEBI:17906 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CC(=O)CO CHEBI:27957 [2,0,0,0,0,0|0,1,0]=3 154 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CC(=O)NC CHEBI:87321 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 CC(=O)NN CHEBI:2422 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 CC(=O)NO CHEBI:27777 [2,0,0,0,0,0|1,1,0]=4 158 B4R0.1 CC(=O)OC CHEBI:77700 [2,0,0,0,0,0|0,0,0]=2 159 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 CC(=O)SC CHEBI:51280 [2,0,0,0,0,0|0,0,0]=2 161 B4R0.1 CC(=S)OC CHEBI:51281 [2,0,0,0,0,0|0,1,0]=3 162 B4R0.1 CC(C)OC CHEBI:53505 [2,0,0,0,0,0|1,0,1]=4 163 B4R0.1 CC=C(C)C CHEBI:77916 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 CCC(=C)C CHEBI:77915 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.1 CCC(=O)C CHEBI:28398 [2,0,0,0,0,0|0,0,0]=2 166 B4R0.1 CCC(=O)N CHEBI:45422 [2,0,0,0,0,0|1,0,0]=3 167 B4R0.1 CCC(=O)O CHEBI:30768 [2,0,0,0,0,0|0,0,0]=2 168 B4R0.1 CCC(=O)[O-] CHEBI:132106 [2,0,0,0,0,0|0,0,1]=3 169 B4R0.1 CCC(=O)[O-] CHEBI:17272 [2,0,0,0,0,0|0,0,1]=3 170 B4R0.1 CCC(=O)[O-] CHEBI:63884 [2,0,0,0,0,0|0,0,1]=3 171 B4R0.1 CCC(=S)C CHEBI:36581 [2,0,0,0,0,0|0,1,0]=3 172 B4R0.1 CCC(C)C CHEBI:30362 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.1 CCC(C)N CHEBI:74526 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 CCC(C)O CHEBI:35687 [2,0,0,0,0,0|0,0,2]=4 175 B4R0.1 CC[C@@H](C)O CHEBI:35686 [2,0,0,0,0,0|0,0,2]=4 176 B4R0.1 CC[C@H](C)O CHEBI:45475 [2,0,0,0,0,0|0,0,2]=4 177 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [2,0,0,0,0,0|1,0,1]=4 178 B4R0.1 CNC(=O)N CHEBI:44383 [2,0,0,0,0,0|2,0,0]=4 179 B4R0.1 CNC(=O)O CHEBI:45379 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.1 COC(=O)N CHEBI:76606 [2,0,0,0,0,0|1,0,0]=3 181 B4R0.1 [*]C(=O)CO CHEBI:52501 [2,0,0,0,0,0|1,1,0]=4 182 B4R0.1 [*]C(=O)O[*] CHEBI:33308 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 [*]C(=O)O[*] CHEBI:78553 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 [*]C(=O)O[*] CHEBI:78555 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 [*]C(=O)O[*] CHEBI:78557 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 [*]C(=O)O[*] CHEBI:78558 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.1 [*]C(=O)O[*] CHEBI:78560 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 [*]C(=O)O[*] CHEBI:78561 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.1 [*]C(=O)O[*] CHEBI:78562 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 [*]C(=O)O[*] CHEBI:78563 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 [*]C(=O)S[*] CHEBI:51277 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.1 [*]SC(=O)C CHEBI:17093 [2,0,0,0,0,0|1,0,0]=3 193 B4R0.1 [CH](C(=O)O)N CHEBI:32721 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 C#CCC=O CHEBI:28180 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.2 C(C=O)C=O CHEBI:566274 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.2 C(CN)C=O CHEBI:18090 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.2 C(CN)C=O CHEBI:27390 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.2 C(CO)C=O CHEBI:17871 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.2 CCCC=O CHEBI:15743 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.2 CCCCC CHEBI:37830 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.2 CCCCO CHEBI:28885 [2,0,0,0,0,0|1,0,1]=4 203 B4R0.2 CCCSO CHEBI:91018 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.2 CCNCC CHEBI:85259 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 CCOC=O CHEBI:52342 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.2 CCOCC CHEBI:35702 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.2 CCSCC CHEBI:27710 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.2 CCSCS CHEBI:38829 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.2 CC[NH2+]CC CHEBI:132181 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.2 CC[Zn]CC CHEBI:51496 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.2 CNCCO CHEBI:21763 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.2 COCCO CHEBI:46790 [2,0,0,0,0,0|0,1,1]=4 213 B4R0.2 COCOC CHEBI:48341 [2,0,0,0,0,0|0,1,0]=3 214 B4R0.2 CSCCO CHEBI:63861 [2,0,0,0,0,0|0,0,1]=3 215 B4R0.2 C\C=C\C=O CHEBI:41607 [2,0,0,0,0,0|1,0,1]=4 216 B4R0.2 C\C=C\CO CHEBI:62891 [2,0,0,0,0,0|1,1,0]=4 217 B4R0.2 [*]CCC=O CHEBI:84587 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.2 C(C(=O)O)C(=O)[O-] CHEBI:30795 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [1,1,0,0,0,0|1,0,0]=3 230 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [1,1,0,0,0,0|1,0,1]=4 235 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [1,1,0,0,0,0|1,0,1]=4 236 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [1,1,0,0,0,0|0,0,1]=3 243 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [1,1,0,0,0,0|0,0,2]=4 244 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [1,1,0,0,0,0|2,0,0]=4 259 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [1,1,0,0,0,0|2,0,0]=4 274 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [1,1,0,0,0,0|2,0,0]=4 277 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.3 CC(=O)C(=O)OC CHEBI:51850 [1,1,0,0,0,0|0,1,1]=4 287 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [1,1,0,0,0,0|1,0,1]=4 292 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [1,1,0,0,0,0|1,0,1]=4 294 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [1,1,0,0,0,0|1,0,0]=3 297 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.4 C(C(=O)O)NC=N CHEBI:18415 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.4 C(C(=O)O)NC=O CHEBI:21717 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.4 C=CCCC(=O)O CHEBI:35936 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.4 CC(=O)CCC=O CHEBI:87363 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.4 CC(=O)NCCO CHEBI:74687 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.4 CC(=O)NCCS CHEBI:74410 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.4 CC(=O)SCCN CHEBI:17853 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 CCCCC(=O)N CHEBI:16459 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.4 CCCOC(=O)C CHEBI:40116 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.4 CSCCC(=O)O CHEBI:1438 [1,1,0,0,0,0|0,0,0]=2 346 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [1,1,0,0,0,0|0,0,1]=3 347 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [1,1,0,0,0,0|1,0,0]=3 349 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.6 CSCC\C=N\O CHEBI:50706 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.8 CNS(=O)(=O)OC CHEBI:51873 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.8 COP(=O)(N)SC CHEBI:38721 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.8 COS(=O)(=O)OC CHEBI:59050 [1,1,0,0,0,0|1,1,0]=4 354 B6R0.9 CCN(CC)N=O CHEBI:34873 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.5 CCOC(=O)CC(C)C CHEBI:31571 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.5 CCOC(=O)CC(C)O CHEBI:87685 [0,2,0,0,0,0|1,0,0]=3 357 B8R0.5 CCOC(=O)C[C@@H](C)O CHEBI:28707 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.1 CCCC(=O)NCCO CHEBI:85304 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.1 CCOC(=O)CCC=O CHEBI:87282 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.1 CCOC(=O)CCSC CHEBI:87503 [0,2,0,0,0,0|0,0,0]=2 361 B8R0.3 CCOC(=O)C(C)C#N CHEBI:51925 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.6 CCCCCC(=O)NC CHEBI:15860 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.6 CCCCCC(=O)OC CHEBI:77322 [0,2,0,0,0,0|1,0,0]=3 364 B8R0.8 CSCCC(=O)C(=O)O CHEBI:33574 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.8 CSCCC(=O)C(=O)[O-] CHEBI:133493 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.8 CSCCC(=O)C(=O)[O-] CHEBI:16723 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.9 CC(=O)NCC(=O)NC CHEBI:74101 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.9 COC(=O)CCC(=O)O CHEBI:75146 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.14 CC(C)(C)C(=O)CSC CHEBI:38563 [0,2,0,0,0,0|1,0,0]=3 370 B6R1.2 C1C=CC(=O)O1 CHEBI:38118 [1,0,0,1,0,0|1,0,1]=4 371 B6R1.2 C1C=COC1=O CHEBI:38120 [1,0,0,1,0,0|1,0,1]=4 372 B6R1.2 C1CC(=O)NC1 CHEBI:36592 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.2 C1CC(=O)OC1 CHEBI:42639 [1,0,0,1,0,0|1,0,0]=3 374 B6R1.2 C1CCC(=O)C1 CHEBI:16486 [1,0,0,1,0,0|1,0,0]=3 375 B6R1.2 C1COC(=O)N1 CHEBI:1237 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.2 CC1=NCCC1 CHEBI:78856 [1,0,0,1,0,0|2,0,0]=4 377 B6R1.2 CC1=[NH+]CCC1 CHEBI:78220 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.11 C1CC1C(=O)N CHEBI:51457 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.11 C1CC1C(=O)O CHEBI:23500 [1,0,0,1,0,0|1,0,0]=3 380 B6R1.11 C1CC1C(=O)[O-] CHEBI:36128 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.1 C1CCC=CC1 CHEBI:36404 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.1 C1CCN=CC1 CHEBI:47858 [1,0,0,1,0,0|2,0,0]=4 383 B6R1.1 C1CCOCC1 CHEBI:46941 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.1 C1CCOOC1 CHEBI:48426 [1,0,0,1,0,0|2,0,0]=4 385 B6R1.1 C1CNCC=C1 CHEBI:47860 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.1 C1COCCN1 CHEBI:34856 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.1 C1COCCO1 CHEBI:47032 [1,0,0,1,0,0|0,1,1]=4 388 B6R1.1 C1COCSC1 CHEBI:87341 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.1 C1CSCCN1 CHEBI:36392 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.1 C1CSCCS1 CHEBI:540 [1,0,0,1,0,0|0,1,1]=4 391 B6R1.1 C1CSCSC1 CHEBI:47845 [1,0,0,1,0,0|2,0,0]=4 392 B6R1.1 C1CSSCS1 CHEBI:39197 [1,0,0,1,0,0|1,1,0]=4 393 B8R1.1 CCC1CCC(=O)O1 CHEBI:85235 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.4 C1CC(=O)CC(=O)C1 CHEBI:17766 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.4 C1CC(CC(=O)C1)O CHEBI:17611 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.18 CC1CC(=O)OC1=O CHEBI:87587 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.5 C1CC(C(=O)NC1)N CHEBI:76341 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.5 C1CCC(=O)C(=O)C1 CHEBI:41674 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.5 C1CCC(=O)C(C1)O CHEBI:17878 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.22 C1CCC(=O)NCC1 CHEBI:28579 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.22 C1CCC(=O)OCC1 CHEBI:17915 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.50 C1[C@@H]([C@H](C(=O)O1)O)O CHEBI:71176 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.50 C1[C@H]([C@@H](C(=O)O1)O)O CHEBI:87770 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O CHEBI:87625 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.54 CN(C)C(=O)C1CC1 CHEBI:51459 [0,1,0,1,0,0|2,0,0]=4