0 B6R0.1 C(=C/N)/C(=O)OO CHEBI:59892 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C=C(CCO)CO CHEBI:131368 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CC(C[197Hg]Cl)OC CHEBI:59455 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCC(=O)OCC CHEBI:41330 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCC(C)CCO CHEBI:87381 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCCC(C#N)N CHEBI:77400 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CCOC(=O)C#C CHEBI:51740 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCOC(=O)C=O CHEBI:53275 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCS(=O)CCO CHEBI:38736 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 COC(=O)CC#N CHEBI:51928 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.1 COCC(=O)CO CHEBI:37551 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 [*]C#CC(=O)O[*] CHEBI:51743 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C#CCC(=O)O CHEBI:1461 [1,0,0,0,0,0|0,0,2]=3 13 B5R0.1 C#CCC(=O)[O-] CHEBI:62211 [1,0,0,0,0,0|0,0,3]=4 14 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 C(=C\Cl)/C(=O)O CHEBI:19982 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.1 C(C(=O)O)NO CHEBI:38049 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 C(CN)C(=O)N CHEBI:55360 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 C(CN)C(=O)O CHEBI:16958 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.1 C(CO)C(=O)O CHEBI:33404 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 C(CS(=O)O)N CHEBI:16668 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 C(CS(=O)[O-])[NH3+] CHEBI:57853 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 C(CS)C(=O)O CHEBI:44111 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 C(N)NC(=O)N CHEBI:15609 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C(NC(=O)N)O CHEBI:16481 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C([NH3+])NC(=O)N CHEBI:57431 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 C=CCC(=O)O CHEBI:35897 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 C=CCC(=O)[O-] CHEBI:35900 [1,0,0,0,0,0|0,0,3]=4 36 B5R0.1 CC(=C)CCO CHEBI:62898 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 CC(=CCO)C CHEBI:16019 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(=O)CC=C CHEBI:87508 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.1 CC(=O)CCO CHEBI:41268 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CC(=O)OC=C CHEBI:46916 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 CC(C)CCN CHEBI:43689 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(C)CCO CHEBI:15837 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(CCO)O CHEBI:52683 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 CC=CC(=O)C CHEBI:89540 [1,0,0,0,0,0|0,0,2]=3 45 B5R0.1 CCCC(=O)C CHEBI:16472 [1,0,0,0,0,0|0,0,0]=1 46 B5R0.1 CCCC(=O)N CHEBI:50724 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 CCCC(=O)O CHEBI:30772 [1,0,0,0,0,0|0,0,0]=1 48 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [1,0,0,0,0,0|0,0,1]=2 49 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [1,0,0,0,0,0|0,0,1]=2 50 B5R0.1 CCCC(C)O CHEBI:77518 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.1 CCNC(=O)C CHEBI:87370 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.1 CCOC(=O)C CHEBI:27750 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.1 CCOC(=O)N CHEBI:17967 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 CCOC(=O)O CHEBI:50849 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.1 CCOP(=O)O CHEBI:40926 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.1 CCOP(=O)[O-] CHEBI:84033 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CN(C)CCCl CHEBI:78153 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.1 CN(C)CCCl CHEBI:78155 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CN(C)CCO CHEBI:271436 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CNCC(=O)O CHEBI:15611 [1,0,0,0,0,0|1,0,0]=2 62 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.1 COCC(=O)O CHEBI:132098 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 COCC(=O)[O-] CHEBI:132096 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 COCC(=O)[O-] CHEBI:132097 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 CSCC(=O)O CHEBI:47870 [1,0,0,0,0,0|1,0,0]=2 67 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 C[C@H](CCO)O CHEBI:52687 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 C[NH+](C)CCCl CHEBI:78154 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.1 C[S+](C)CCO CHEBI:63035 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.1 C\C=C/C(=O)[O-] CHEBI:36254 [1,0,0,0,0,0|0,0,3]=4 76 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [1,0,0,0,0,0|0,0,2]=3 77 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [1,0,0,0,0,0|0,0,2]=3 78 B5R0.1 C\C=C\C(=O)[O-] CHEBI:35899 [1,0,0,0,0,0|0,0,3]=4 79 B5R0.1 C\C=C\C(=O)[O-] CHEBI:36258 [1,0,0,0,0,0|0,0,3]=4 80 B5R0.1 [*]C(=O)OCC CHEBI:13209 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.1 [Li]C(=C)OCC CHEBI:59557 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.2 CCCCC=C CHEBI:24579 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.2 CCCCC=O CHEBI:84069 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CCCCCC CHEBI:29021 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.2 CCCCCN CHEBI:74848 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CCCCCO CHEBI:44884 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CCCCNC CHEBI:59019 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.2 CCC\C=N\O CHEBI:59012 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 CCOCCO CHEBI:46788 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.2 CCOOCC CHEBI:35929 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.2 CCSCCS CHEBI:38625 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.2 CC\C=C\C=O CHEBI:61722 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 COCCOC CHEBI:42263 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.2 CSCCCN CHEBI:16696 [1,0,0,0,0,0|1,1,1]=4 95 B5R0.2 CSCCCO CHEBI:49019 [1,0,0,0,0,0|1,1,1]=4 96 B5R0.2 CSCCC[NH3+] CHEBI:57866 [1,0,0,0,0,0|1,1,1]=4 97 B5R0.2 CSC\C=N\O CHEBI:50716 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.3 C(C(=O)CO)O CHEBI:16016 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.3 C(C(=O)NO)N CHEBI:75426 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.3 CCC(=O)CC CHEBI:87755 [1,0,0,0,0,0|1,0,0]=2 102 B5R0.3 CCC(C)NC CHEBI:84267 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 CCC(CC)N CHEBI:84248 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.3 CCC(CC)O CHEBI:77519 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.3 CNC(=O)CS CHEBI:38731 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.3 CNC(=O)NC CHEBI:80472 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.3 COC(=O)CN CHEBI:87375 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.3 COC(=O)OC CHEBI:36596 [1,0,0,0,0,0|1,0,0]=2 109 B5R0.3 COS(=O)OC CHEBI:48858 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.3 CO[Se](=O)OC CHEBI:48842 [1,0,0,0,0,0|2,0,0]=3 111 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.2 CCC(=O)CC(=O)[O-] CHEBI:20177 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.2 COC(=O)NC(=O)N CHEBI:2600 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.2 C\C(=C/C(=O)OC)\O CHEBI:38726 [0,1,0,0,0,0|0,0,2]=3 115 B7R0.2 [*]SC(=O)CC(=O)C CHEBI:2393 [0,1,0,0,0,0|1,1,1]=4 116 B7R0.3 CCCCC(=O)C=C CHEBI:87567 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.3 CCCCC(=O)CC CHEBI:50139 [0,1,0,0,0,0|1,0,0]=2 118 B7R0.3 CCOCC(=O)CO CHEBI:37552 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.3 COC(=O)CCCN CHEBI:42955 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.5 CCCC(=O)C(=O)C CHEBI:87583 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 CCCC(=O)C(=O)O CHEBI:33033 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.5 CCCC(=O)C(=O)[O-] CHEBI:28644 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.5 CCOC(=O)C(C)C CHEBI:87303 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.5 CCOC(=O)C(C)O CHEBI:78321 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.5 CCOC(=O)[C@@H](C)O CHEBI:78323 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 CCOC(=O)[C@H](C)O CHEBI:78322 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.7 CCCC(C)CCC CHEBI:67193 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.7 CCCC(CCO)S CHEBI:77690 [0,1,0,0,0,0|1,1,1]=4 129 B7R0.7 CCOC(=O)\C=C/C CHEBI:87334 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.7 CCOP(=O)OCC CHEBI:41962 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.10 C(C(C(=O)CO)O)O CHEBI:23958 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.10 C(C(C(=O)NO)N)O CHEBI:75494 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.10 C([C@@H](C(=O)C=O)O)O CHEBI:46669 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.10 C([C@@H](C(=O)CO)O)O CHEBI:27913 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.10 C([C@H](C(=O)CO)O)O CHEBI:16023 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.10 CCC(C(=O)CC)O CHEBI:18351 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.10 COC(=O)[C@H](CS)N CHEBI:41531 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.10 CSC(=O)[C@@H](CO)O CHEBI:17163 [0,1,0,0,0,0|1,1,0]=3 139 B7R0.10 [*]OC(=O)[C@H](CS)N CHEBI:61894 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.11 CCCC(C)(C)CC CHEBI:132182 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.12 CCCN(CC)CC CHEBI:88180 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.2 C1CC(=O)CC1=O CHEBI:41456 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.2 CC1C=CC(=O)O1 CHEBI:36436 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.2 CC1CCC(=C1)O CHEBI:111510 [0,0,0,1,0,0|1,0,2]=4 145 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.2 C[C@@H]1C=CC(=O)O1 CHEBI:36443 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.2 C[C@H]1C=CC(=O)O1 CHEBI:36444 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 C1CC(=O)CC=C1 CHEBI:48952 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.3 C1CC=CC(=O)C1 CHEBI:15977 [0,0,0,1,0,0|1,0,1]=3 152 B7R1.3 C1CCC(=O)CC1 CHEBI:17854 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.3 C1CCC(CC1)Cl CHEBI:39156 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 C1CCC(CC1)N CHEBI:15773 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 C1CCC(CC1)O CHEBI:18099 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.3 C1CCC(CC1)[NH3+] CHEBI:42939 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 C1CCNC(=O)C1 CHEBI:77761 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.3 C1CCOC(=O)C1 CHEBI:16545 [0,0,0,1,0,0|0,0,0]=1 159 B7R1.4 C1COC(=O)C1N CHEBI:17289 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.4 C1COC(=O)C1[NH3+] CHEBI:58093 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.4 C1COC(=O)[C@@H]1N CHEBI:30657 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.4 C1COC(=O)[C@H]1N CHEBI:30655 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.4 C1COC(=O)[C@H]1[NH3+] CHEBI:58633 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.4 C1CSC(=O)[C@H]1N CHEBI:60315 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.4 C=C1CCOC1=O CHEBI:104120 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 CC1C(=O)CCS1 CHEBI:87506 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.4 CN1CCCC1=O CHEBI:7307 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.5 CCC[C@H]1[C@H](O1)C CHEBI:84216 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.22 COC(=O)C1CC1 CHEBI:131412 [0,0,0,1,0,0|0,0,0]=1 170 B4R0.1 C#CC(=O)O CHEBI:33199 [2,0,0,0,0,0|0,0,2]=4 171 B4R0.1 C(=N)C(=O)O CHEBI:53647 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.1 C(=O)(NN)O CHEBI:38662 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 C(=O)C(=O)O CHEBI:16891 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 C(C(=O)N)F CHEBI:53124 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 C(C(=O)N)N CHEBI:42843 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 C(C(=O)N)O CHEBI:30321 [2,0,0,0,0,0|2,0,0]=4 177 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [2,0,0,0,0,0|1,0,0]=3 178 B4R0.1 C(C(=O)O)F CHEBI:30775 [2,0,0,0,0,0|1,0,0]=3 179 B4R0.1 C(C(=O)O)I CHEBI:74571 [2,0,0,0,0,0|1,0,0]=3 180 B4R0.1 C(C(=O)O)N CHEBI:15428 [2,0,0,0,0,0|1,0,0]=3 181 B4R0.1 C(C(=O)O)O CHEBI:17497 [2,0,0,0,0,0|1,0,0]=3 182 B4R0.1 C(C(=O)O)S CHEBI:30065 [2,0,0,0,0,0|1,0,0]=3 183 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [2,0,0,0,0,0|1,0,0]=3 184 B4R0.1 C(C(=O)S)N CHEBI:46799 [2,0,0,0,0,0|1,1,0]=4 185 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [2,0,0,0,0,0|1,0,1]=4 191 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.1 C=CC(=O)O CHEBI:18308 [2,0,0,0,0,0|0,0,2]=4 196 B4R0.1 CC(=O)C#C CHEBI:48060 [2,0,0,0,0,0|0,0,2]=4 197 B4R0.1 CC(=O)C=C CHEBI:48058 [2,0,0,0,0,0|0,0,2]=4 198 B4R0.1 CC(=O)C=O CHEBI:17158 [2,0,0,0,0,0|1,0,1]=4 199 B4R0.1 CC(=O)CBr CHEBI:51845 [2,0,0,0,0,0|1,0,0]=3 200 B4R0.1 CC(=O)CCl CHEBI:47220 [2,0,0,0,0,0|1,0,0]=3 201 B4R0.1 CC(=O)CN CHEBI:17906 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.1 CC(=O)CO CHEBI:27957 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [2,0,0,0,0,0|1,0,0]=3 204 B4R0.1 CC(=O)NC CHEBI:87321 [2,0,0,0,0,0|1,0,0]=3 205 B4R0.1 CC(=O)NN CHEBI:2422 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 CC(=O)NO CHEBI:27777 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 CC(=O)OC CHEBI:77700 [2,0,0,0,0,0|0,0,0]=2 208 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [2,0,0,0,0,0|1,0,0]=3 209 B4R0.1 CC(=O)SC CHEBI:51280 [2,0,0,0,0,0|0,1,0]=3 210 B4R0.1 CC(=S)OC CHEBI:51281 [2,0,0,0,0,0|0,1,0]=3 211 B4R0.1 CC(C)OC CHEBI:53505 [2,0,0,0,0,0|1,0,1]=4 212 B4R0.1 CC=C(C)C CHEBI:77916 [2,0,0,0,0,0|1,0,1]=4 213 B4R0.1 CCC(=C)C CHEBI:77915 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.1 CCC(=O)C CHEBI:28398 [2,0,0,0,0,0|0,0,0]=2 215 B4R0.1 CCC(=O)N CHEBI:45422 [2,0,0,0,0,0|1,0,0]=3 216 B4R0.1 CCC(=O)O CHEBI:30768 [2,0,0,0,0,0|0,0,0]=2 217 B4R0.1 CCC(=O)[O-] CHEBI:132106 [2,0,0,0,0,0|0,0,1]=3 218 B4R0.1 CCC(=O)[O-] CHEBI:17272 [2,0,0,0,0,0|0,0,1]=3 219 B4R0.1 CCC(=O)[O-] CHEBI:63884 [2,0,0,0,0,0|0,0,1]=3 220 B4R0.1 CCC(=S)C CHEBI:36581 [2,0,0,0,0,0|0,1,0]=3 221 B4R0.1 CCC(C)C CHEBI:30362 [2,0,0,0,0,0|1,0,1]=4 222 B4R0.1 CCC(C)N CHEBI:74526 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.1 CCC(C)O CHEBI:35687 [2,0,0,0,0,0|0,0,2]=4 224 B4R0.1 CC[C@@H](C)O CHEBI:35686 [2,0,0,0,0,0|0,0,2]=4 225 B4R0.1 CC[C@H](C)O CHEBI:45475 [2,0,0,0,0,0|0,0,2]=4 226 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [2,0,0,0,0,0|1,0,1]=4 227 B4R0.1 CNC(=O)N CHEBI:44383 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.1 CNC(=O)O CHEBI:45379 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.1 COC(=O)N CHEBI:76606 [2,0,0,0,0,0|1,0,0]=3 230 B4R0.1 [*]C(=O)CO CHEBI:52501 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.1 [*]C(=O)O[*] CHEBI:33308 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.1 [*]C(=O)O[*] CHEBI:78553 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.1 [*]C(=O)O[*] CHEBI:78555 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.1 [*]C(=O)O[*] CHEBI:78557 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.1 [*]C(=O)O[*] CHEBI:78558 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.1 [*]C(=O)O[*] CHEBI:78560 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.1 [*]C(=O)O[*] CHEBI:78561 [2,0,0,0,0,0|2,0,0]=4 238 B4R0.1 [*]C(=O)O[*] CHEBI:78562 [2,0,0,0,0,0|2,0,0]=4 239 B4R0.1 [*]C(=O)O[*] CHEBI:78563 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.1 [*]SC(=O)C CHEBI:17093 [2,0,0,0,0,0|1,1,0]=4 241 B4R0.1 [CH](C(=O)O)N CHEBI:32721 [2,0,0,0,0,0|1,0,1]=4 242 B4R0.2 C#CCC=O CHEBI:28180 [2,0,0,0,0,0|0,0,2]=4 243 B4R0.2 C(C=O)C=O CHEBI:566274 [2,0,0,0,0,0|1,0,1]=4 244 B4R0.2 C(CN)C=O CHEBI:18090 [2,0,0,0,0,0|1,0,0]=3 245 B4R0.2 C(CN)C=O CHEBI:27390 [2,0,0,0,0,0|1,0,0]=3 246 B4R0.2 C(CO)C=O CHEBI:17871 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.2 C(CO)CO CHEBI:16109 [2,0,0,0,0,0|1,0,1]=4 248 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [2,0,0,0,0,0|1,0,0]=3 249 B4R0.2 CCCC#N CHEBI:51937 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.2 CCCC=O CHEBI:15743 [2,0,0,0,0,0|0,0,0]=2 251 B4R0.2 CCCCC CHEBI:37830 [2,0,0,0,0,0|0,0,1]=3 252 B4R0.2 CCCCN CHEBI:43799 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.2 CCCCO CHEBI:28885 [2,0,0,0,0,0|0,0,1]=3 254 B4R0.2 CCCC[SnH3] CHEBI:22966 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.2 CCCSO CHEBI:91018 [2,0,0,0,0,0|1,0,0]=3 256 B4R0.2 CCN=C=O CHEBI:85107 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.2 CCNCC CHEBI:85259 [2,0,0,0,0,0|1,0,1]=4 258 B4R0.2 CCOC=O CHEBI:52342 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.2 CCOCC CHEBI:35702 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.2 CCSCC CHEBI:27710 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.2 CC[NH2+]CC CHEBI:132181 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.2 CC[Zn]CC CHEBI:51496 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.2 CNCCO CHEBI:21763 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.2 COCCO CHEBI:46790 [2,0,0,0,0,0|1,0,0]=3 265 B4R0.2 COCOC CHEBI:48341 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.2 CSCCO CHEBI:63861 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.2 C\C=C\C=O CHEBI:41607 [2,0,0,0,0,0|0,0,2]=4 268 B4R0.2 C\C=C\CO CHEBI:62891 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.2 [*]CCC=O CHEBI:84587 [2,0,0,0,0,0|1,0,0]=3 270 B4R0.2 [Li]CCCC CHEBI:51469 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [1,1,0,0,0,0|1,0,1]=4 272 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [1,1,0,0,0,0|1,0,1]=4 273 B6R0.2 C(C(=O)O)C(=O)[O-] CHEBI:30795 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [1,1,0,0,0,0|0,0,2]=4 275 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [1,1,0,0,0,0|0,0,2]=4 276 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [1,1,0,0,0,0|0,0,1]=3 277 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [1,1,0,0,0,0|0,0,1]=3 279 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [1,1,0,0,0,0|0,0,2]=4 280 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [1,1,0,0,0,0|0,0,2]=4 282 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [1,1,0,0,0,0|0,0,0]=2 283 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [1,1,0,0,0,0|0,0,1]=3 284 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [1,1,0,0,0,0|0,0,0]=2 285 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [1,1,0,0,0,0|0,0,0]=2 286 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [1,1,0,0,0,0|0,0,1]=3 287 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [1,1,0,0,0,0|0,0,1]=3 288 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [1,1,0,0,0,0|0,0,1]=3 289 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [1,1,0,0,0,0|1,0,0]=3 290 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [1,1,0,0,0,0|0,0,0]=2 291 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [1,1,0,0,0,0|0,0,1]=3 292 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [1,1,0,0,0,0|0,0,1]=3 294 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [1,1,0,0,0,0|1,0,1]=4 295 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [1,1,0,0,0,0|1,0,0]=3 296 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [1,1,0,0,0,0|0,0,2]=4 298 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [1,1,0,0,0,0|0,0,2]=4 299 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [1,1,0,0,0,0|0,0,2]=4 300 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [1,1,0,0,0,0|0,0,2]=4 302 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.3 C(C(=O)C(=O)O)Br CHEBI:131461 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.3 C(C(=O)C(=O)O)F CHEBI:55521 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.3 C(C(C(=O)[O-])N)N CHEBI:49983 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.3 C(C(C(=O)[O-])N)[NH3+] CHEBI:58468 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.3 C(C(C(=O)[O-])N)[S-] CHEBI:32457 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.3 C(C(C(=O)[O-])N)[Se-] CHEBI:32753 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.3 C(C(C(=O)[O-])N)[SeH] CHEBI:32752 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [1,1,0,0,0,0|1,0,1]=4 331 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [1,1,0,0,0,0|1,0,0]=3 338 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [1,1,0,0,0,0|1,0,0]=3 342 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [1,1,0,0,0,0|1,0,0]=3 343 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.3 C([C@@H](C(=O)[O-])N)N CHEBI:13043 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.3 C([C@@H](C(=O)[O-])N)[NH3+] CHEBI:57721 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.3 C([C@@H](C(=O)[O-])N)[S-] CHEBI:32443 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.3 C([C@@H](C(=O)[O-])N)[Se-] CHEBI:32743 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.3 C([C@@H](C(=O)[O-])N)[SeH] CHEBI:32742 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])Cl CHEBI:58132 [1,1,0,0,0,0|1,0,1]=4 352 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:84374 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[SeH] CHEBI:57843 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [1,1,0,0,0,0|1,0,0]=3 357 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [1,1,0,0,0,0|1,0,0]=3 359 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [1,1,0,0,0,0|1,0,0]=3 361 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.3 C([C@H](C(=O)[O-])N)[S-] CHEBI:32450 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.3 C([C@H](C(=O)[O-])N)[Se-] CHEBI:32750 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.3 C([C@H](C(=O)[O-])N)[SeH] CHEBI:32747 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.3 C([C@H](C(=O)[O-])[NH3+])Cl CHEBI:47291 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.3 CC(=O)C(=O)OC CHEBI:51850 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [1,1,0,0,0,0|1,0,0]=3 380 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [1,1,0,0,0,0|0,0,1]=3 384 B6R0.3 CCC(=C)C(=O)[O-] CHEBI:84979 [1,1,0,0,0,0|0,0,2]=4 385 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [1,1,0,0,0,0|0,0,1]=3 386 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [1,1,0,0,0,0|0,0,1]=3 387 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [1,1,0,0,0,0|0,0,1]=3 388 B6R0.3 CCC(=O)C(=O)[O-] CHEBI:16763 [1,1,0,0,0,0|0,0,2]=4 389 B6R0.3 CCC(=[NH2+])C(=O)[O-] CHEBI:76545 [1,1,0,0,0,0|0,0,2]=4 390 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [1,1,0,0,0,0|0,0,0]=2 391 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [1,1,0,0,0,0|0,0,0]=2 392 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [1,1,0,0,0,0|0,0,1]=3 393 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [1,1,0,0,0,0|0,0,1]=3 394 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [1,1,0,0,0,0|0,0,0]=2 395 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [1,1,0,0,0,0|0,0,1]=3 396 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [1,1,0,0,0,0|0,0,1]=3 397 B6R0.3 CCC(C)C(C)O CHEBI:77520 [1,1,0,0,0,0|0,0,2]=4 398 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [1,1,0,0,0,0|0,0,0]=2 399 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [1,1,0,0,0,0|0,0,0]=2 400 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [1,1,0,0,0,0|0,0,1]=3 401 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [1,1,0,0,0,0|0,0,1]=3 402 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [1,1,0,0,0,0|0,0,1]=3 403 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [1,1,0,0,0,0|0,0,0]=2 404 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [1,1,0,0,0,0|0,0,0]=2 405 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [1,1,0,0,0,0|0,0,0]=2 406 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [1,1,0,0,0,0|0,0,0]=2 407 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [1,1,0,0,0,0|1,0,1]=4 410 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [1,1,0,0,0,0|1,0,0]=3 411 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [1,1,0,0,0,0|1,0,0]=3 413 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [1,1,0,0,0,0|1,0,0]=3 416 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [1,1,0,0,0,0|1,0,1]=4 418 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [1,1,0,0,0,0|0,0,2]=4 419 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [1,1,0,0,0,0|0,0,2]=4 420 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [1,1,0,0,0,0|0,0,2]=4 421 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [1,1,0,0,0,0|0,0,2]=4 422 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [1,1,0,0,0,0|0,0,2]=4 423 B6R0.4 C(C(=O)O)NC=N CHEBI:18415 [1,1,0,0,0,0|1,0,1]=4 424 B6R0.4 C(C(=O)O)NC=O CHEBI:21717 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [1,1,0,0,0,0|0,0,1]=3 426 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,1,0,0,0,0|0,0,0]=2 427 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,1,0,0,0,0|0,0,0]=2 428 B6R0.4 C(CC(=O)[O-])C=O CHEBI:57706 [1,1,0,0,0,0|0,0,2]=4 429 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [1,1,0,0,0,0|0,0,1]=3 430 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [1,1,0,0,0,0|0,0,1]=3 431 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [1,1,0,0,0,0|0,0,1]=3 432 B6R0.4 C(C[N+](=O)[O-])CO CHEBI:49042 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.4 C=CCCC(=O)O CHEBI:35936 [1,1,0,0,0,0|0,0,1]=3 434 B6R0.4 C=CCCC(=O)[O-] CHEBI:35935 [1,1,0,0,0,0|0,0,2]=4 435 B6R0.4 CC(=CCCN)C CHEBI:87502 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.4 CC(=O)CCC=O CHEBI:87363 [1,1,0,0,0,0|0,0,1]=3 437 B6R0.4 CC(=O)NCCO CHEBI:74687 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.4 CC(=O)NCCS CHEBI:74410 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.4 CC(=O)SCCN CHEBI:17853 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [1,1,0,0,0,0|1,0,0]=3 441 B6R0.4 CC(C)CCCO CHEBI:63910 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.4 CCCCC(=O)N CHEBI:16459 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,1,0,0,0,0|0,0,0]=2 444 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [1,1,0,0,0,0|0,0,1]=3 445 B6R0.4 CCCCN(C)C CHEBI:59023 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.4 CCCOC(=O)C CHEBI:40116 [1,1,0,0,0,0|0,0,0]=2 447 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,1,0,0,0,0|0,0,0]=2 448 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [1,1,0,0,0,0|0,0,1]=3 449 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [1,1,0,0,0,0|0,0,1]=3 450 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [1,1,0,0,0,0|0,0,1]=3 451 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [1,1,0,0,0,0|0,0,1]=3 452 B6R0.4 CSCCC(=O)O CHEBI:1438 [1,1,0,0,0,0|0,0,0]=2 453 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [1,1,0,0,0,0|0,0,1]=3 454 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [1,1,0,0,0,0|0,0,1]=3 455 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [1,1,0,0,0,0|0,0,1]=3 456 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [1,1,0,0,0,0|0,0,1]=3 457 B6R0.4 [*]C(=O)NCCO CHEBI:85281 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.5 C(CCl)P(=O)(O)O CHEBI:52741 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.5 C(CP(=O)(O)O)N CHEBI:15573 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.5 C(CP(=O)(O)O)O CHEBI:1159 [1,1,0,0,0,0|2,0,0]=4 461 B6R0.5 C(CP(=O)(O)[O-])O CHEBI:60991 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.5 C(CP(=O)(O)[O-])[NH3+] CHEBI:57418 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.5 C(CS(=O)(=O)O)N CHEBI:15891 [1,1,0,0,0,0|2,0,0]=4 464 B6R0.5 C(CS(=O)(=O)O)O CHEBI:1157 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.5 C(CS(=O)(=O)O)S CHEBI:17905 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.5 CCOP(=O)(O)O CHEBI:42383 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.5 CCOP(=O)(O)[O-] CHEBI:59759 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.5 CCOS(=O)(=O)C CHEBI:23994 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.6 CCCCCCC CHEBI:43098 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.6 CCCCCCN CHEBI:5712 [1,1,0,0,0,0|1,0,1]=4 471 B6R0.6 CCCCCCO CHEBI:87393 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.6 CCC\C=C/C=O CHEBI:18554 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.6 CCC\C=C\C=O CHEBI:19591 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.6 CCC\C=C\C=O CHEBI:28913 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.6 CCOCCCO CHEBI:87489 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.6 CC\C=C/CCO CHEBI:28857 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.6 CNCCCCN CHEBI:17166 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.6 CSCC\C=N\O CHEBI:50706 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.6 C[NH2+]CCCC[NH3+] CHEBI:58039 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.8 CNS(=O)(=O)OC CHEBI:51873 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.8 COP(=O)(N)SC CHEBI:38721 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.8 COS(=O)(=O)OC CHEBI:59050 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.9 CCN(CC)N=O CHEBI:34873 [1,1,0,0,0,0|2,0,0]=4 484 B8R0.2 CC(=O)C(=O)[C@H](CO)O CHEBI:29484 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.2 CCC(C)C(=O)C(=O)O CHEBI:35932 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.2 CCC(C)C(=O)C(=O)[O-] CHEBI:28654 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CHEBI:28379 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.2 CC[C@H](C)C(=O)C(=O)O CHEBI:15614 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] CHEBI:35146 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.5 CCCC(=O)CC(=O)O CHEBI:28422 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.5 CCCC(=O)CC(=O)[O-] CHEBI:37030 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.5 CCOC(=O)CC(C)C CHEBI:31571 [0,2,0,0,0,0|0,0,0]=2 493 B8R0.5 CCOC(=O)CC(C)O CHEBI:87685 [0,2,0,0,0,0|0,0,0]=2 494 B8R0.5 CCOC(=O)C[C@@H](C)O CHEBI:28707 [0,2,0,0,0,0|0,0,0]=2 495 B8R0.23 CC(C)CC(=O)C(=O)O CHEBI:48430 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.23 CC(C)CC(=O)C(=O)[O-] CHEBI:17865 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.23 CC(CC(=O)C(=O)O)O CHEBI:17655 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.23 CC(CC(=O)C(=O)[O-])O CHEBI:58222 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.23 C[C@@H](CC(=O)C(=O)O)O CHEBI:73148 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.23 C[C@@H](CC(=O)C(=O)[O-])O CHEBI:73143 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.1 CCCC(=O)NCCO CHEBI:85304 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.1 CCCSS(=O)CCC CHEBI:91021 [0,2,0,0,0,0|1,1,0]=4 503 B8R0.1 CCOC(=O)CCC=O CHEBI:87282 [0,2,0,0,0,0|0,0,1]=3 504 B8R0.1 CCOC(=O)CCSC CHEBI:87503 [0,2,0,0,0,0|0,0,0]=2 505 B8R0.3 CCOC(=O)C(C)C#N CHEBI:51925 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.6 CCCCCC(=O)NC CHEBI:15860 [0,2,0,0,0,0|1,0,0]=3 507 B8R0.6 CCCCCC(=O)OC CHEBI:77322 [0,2,0,0,0,0|0,0,0]=2 508 B8R0.6 CCCCOC(=O)C=C CHEBI:3245 [0,2,0,0,0,0|1,0,1]=4 509 B8R0.6 CCCOCC(=O)CO CHEBI:37553 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.8 C(CC(=O)C(=O)O)CN CHEBI:49268 [0,2,0,0,0,0|2,0,0]=4 511 B8R0.8 C(CC(=O)C(=O)[O-])CN CHEBI:17572 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.8 C(CC(=O)C(=O)[O-])C[NH3+] CHEBI:58802 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.8 CC(=C)C(=O)OCCO CHEBI:34288 [0,2,0,0,0,0|2,0,0]=4 514 B8R0.8 CC(=C)C(=O)OCCO CHEBI:53709 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.8 CCCCC(=O)C(=O)O CHEBI:17308 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.8 CCCCC(=O)C(=O)[O-] CHEBI:35177 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.8 CSCCC(=O)C(=O)O CHEBI:33574 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.8 CSCCC(=O)C(=O)[O-] CHEBI:133493 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.8 CSCCC(=O)C(=O)[O-] CHEBI:16723 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.9 CC(=O)NCC(=O)NC CHEBI:74101 [0,2,0,0,0,0|1,0,1]=4 521 B8R0.9 COC(=O)CCC(=O)O CHEBI:75146 [0,2,0,0,0,0|0,0,1]=3 522 B8R0.11 CCCCC(CC)C=O CHEBI:87809 [0,2,0,0,0,0|1,0,1]=4 523 B8R0.14 CC(C)(C)C(=O)CSC CHEBI:38563 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.22 CCCN(CCC)C=O CHEBI:88185 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.30 CCOP(=O)(O)OCC CHEBI:27708 [0,2,0,0,0,0|2,0,0]=4 526 B8R0.31 CCCC(C)(CC)OC CHEBI:84286 [0,2,0,0,0,0|1,0,1]=4 527 B6R1.2 C1C=CC(=O)O1 CHEBI:38118 [1,0,0,1,0,0|0,0,2]=4 528 B6R1.2 C1C=COC1=O CHEBI:38120 [1,0,0,1,0,0|0,0,2]=4 529 B6R1.2 C1CC(=O)NC1 CHEBI:36592 [1,0,0,1,0,0|1,0,0]=3 530 B6R1.2 C1CC(=O)OC1 CHEBI:42639 [1,0,0,1,0,0|0,0,0]=2 531 B6R1.2 C1CC(OC1)O CHEBI:19662 [1,0,0,1,0,0|0,0,2]=4 532 B6R1.2 C1CCC(=O)C1 CHEBI:16486 [1,0,0,1,0,0|0,0,0]=2 533 B6R1.2 C1CCC(C1)O CHEBI:16133 [1,0,0,1,0,0|0,0,2]=4 534 B6R1.2 C1CNC(=O)N1 CHEBI:37001 [1,0,0,1,0,0|2,0,0]=4 535 B6R1.2 C1COC(=O)N1 CHEBI:1237 [1,0,0,1,0,0|1,0,0]=3 536 B6R1.2 CC1=CCCO1 CHEBI:51677 [1,0,0,1,0,0|0,0,2]=4 537 B6R1.2 CC1=COCC1 CHEBI:51678 [1,0,0,1,0,0|2,0,0]=4 538 B6R1.2 CC1=NCCC1 CHEBI:78856 [1,0,0,1,0,0|1,0,0]=3 539 B6R1.2 CC1=NCCO1 CHEBI:53614 [1,0,0,1,0,0|1,0,1]=4 540 B6R1.2 CC1=[NH+]CCC1 CHEBI:78220 [1,0,0,1,0,0|1,0,0]=3 541 B6R1.2 C[C@@H]1CCCN1 CHEBI:78858 [1,0,0,1,0,0|1,0,1]=4 542 B6R1.2 C[C@@H]1CCC[NH2+]1 CHEBI:78222 [1,0,0,1,0,0|1,0,1]=4 543 B6R1.2 C[N+]1=CCCC1 CHEBI:27435 [1,0,0,1,0,0|2,0,0]=4 544 B6R1.11 C1CC1C(=O)N CHEBI:51457 [1,0,0,1,0,0|1,0,0]=3 545 B6R1.11 C1CC1C(=O)O CHEBI:23500 [1,0,0,1,0,0|0,0,0]=2 546 B6R1.11 C1CC1C(=O)[O-] CHEBI:36128 [1,0,0,1,0,0|0,0,1]=3 547 B6R1.1 C1CC=C=CC1 CHEBI:37612 [1,0,0,1,0,0|1,0,1]=4 548 B6R1.1 C1CC=CNC1 CHEBI:47859 [1,0,0,1,0,0|1,0,1]=4 549 B6R1.1 C1CCC=CC1 CHEBI:36404 [1,0,0,1,0,0|1,0,0]=3 550 B6R1.1 C1CCCCC1 CHEBI:29005 [1,0,0,1,0,0|1,0,1]=4 551 B6R1.1 C1CCN=CC1 CHEBI:47858 [1,0,0,1,0,0|1,0,0]=3 552 B6R1.1 C1CCNCC1 CHEBI:18049 [1,0,0,1,0,0|1,0,1]=4 553 B6R1.1 C1CCOCC1 CHEBI:46941 [1,0,0,1,0,0|0,0,1]=3 554 B6R1.1 C1CCOOC1 CHEBI:48426 [1,0,0,1,0,0|1,0,0]=3 555 B6R1.1 C1CCSSC1 CHEBI:47844 [1,0,0,1,0,0|1,1,0]=4 556 B6R1.1 C1CC[NH2+]CC1 CHEBI:589779 [1,0,0,1,0,0|1,0,1]=4 557 B6R1.1 C1CNCC=C1 CHEBI:47860 [1,0,0,1,0,0|2,0,0]=4 558 B6R1.1 C1COCCN1 CHEBI:34856 [1,0,0,1,0,0|1,0,1]=4 559 B6R1.1 C1COCCO1 CHEBI:47032 [1,0,0,1,0,0|1,0,1]=4 560 B6R1.1 C1COCOC1 CHEBI:46924 [1,0,0,1,0,0|1,0,1]=4 561 B6R1.1 C1COCSC1 CHEBI:87341 [1,0,0,1,0,0|1,0,1]=4 562 B8R1.1 C1CC(=O)CC1C#N CHEBI:71188 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.1 CCC1CCC(=O)O1 CHEBI:85235 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.4 C1CC(=O)CC(=O)C1 CHEBI:17766 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.4 C1CC(=O)NC(=O)C1 CHEBI:5435 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.4 C1CC(CC(=O)C1)O CHEBI:17611 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.18 CC1CC(=O)OC1=O CHEBI:87587 [0,1,0,1,0,0|0,0,1]=3 568 B8R1.2 C1CCN(CC1)N=O CHEBI:76324 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.3 C1CC(=O)CCC1=O CHEBI:28286 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.5 C1CC(C(=O)NC1)N CHEBI:76341 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.5 C1CCC(=O)C(=O)C1 CHEBI:41674 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.5 C1CCC(=O)C(C1)O CHEBI:17878 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.22 C1CCC(=O)NCC1 CHEBI:28579 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.22 C1CCC(=O)OCC1 CHEBI:17915 [0,1,0,1,0,0|0,0,0]=2 575 B8R1.50 C1[C@@H]([C@H](C(=O)O1)O)O CHEBI:71176 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.50 C1[C@H]([C@@H](C(=O)O1)O)O CHEBI:87770 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O CHEBI:87625 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.50 C=C1[C@H](COC1=O)O CHEBI:87123 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.7 CC(=O)C1=NCCC1 CHEBI:67125 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.54 CN(C)C(=O)C1CC1 CHEBI:51459 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.54 [*]N([*])C(=O)C1CC1 CHEBI:51456 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.8 COC[C@@H]1CCCN1 CHEBI:131426 [0,1,0,1,0,0|1,0,1]=4