0 B7R0.6 C(#CC(=O)O)C(=O)O CHEBI:30781 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C(#CC(=O)[O-])C(=O)O CHEBI:30782 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C(=C/C(=O)O)/C(=O)N CHEBI:29045 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 C(=C/C(=O)O)/C(=O)O CHEBI:18300 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 C(=C/C(=O)[O-])/C(=O)N CHEBI:16146 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 C(=C/C(=O)[O-])/C(=O)O CHEBI:37156 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] CHEBI:30780 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] CHEBI:91263 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:18012 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:22958 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:91084 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:115087 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37154 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37155 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] CHEBI:115156 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] CHEBI:29806 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] CHEBI:36180 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 C(=C\[N+](=O)[O-])/C(=O)O CHEBI:17610 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 C(C(=O)O)NC(=N)N CHEBI:16344 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.6 C(C(=O)O)NC(=O)N CHEBI:133351 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.6 C(C(=O)O)NC(=O)O CHEBI:87757 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.6 C(C(=O)[O-])NC(=N)N CHEBI:131444 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.6 C(C(=O)[O-])NC(=[NH2+])N CHEBI:57742 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 C(C=[N+]([O-])[O-])C(=O)[O-] CHEBI:57892 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 C(CC(=O)O)C(=O)N CHEBI:50398 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.6 C(CC(=O)[O-])C(=O)O CHEBI:30779 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.6 C(CC(=O)[O-])C(=O)[O-] CHEBI:30031 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.6 C(CC(=O)[O-])C(=O)[O-] CHEBI:63675 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.6 C(CC(=O)[O-])C(=O)[O-] CHEBI:63686 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.6 C(CS(=O)O)C(=O)O CHEBI:79222 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.6 C(C[N+](=O)[O-])C(=O)O CHEBI:16348 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 C(\C=[N+](/O)\[O-])C(=O)O CHEBI:16775 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.6 CC(=O)CCC(=O)C CHEBI:85014 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [0,0,0,0,0,0|1,0,1]=2 35 B7R0.6 CC(=O)CCC(=O)[O-] CHEBI:39150 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.6 CC(=O)NCC(=O)O CHEBI:40410 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.6 CC(=O)NCC(=O)[O-] CHEBI:61887 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [0,0,0,0,0,0|1,0,1]=2 39 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [0,0,0,0,0,0|0,0,2]=2 40 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [0,0,0,0,0,0|0,0,3]=3 41 B7R0.6 CC(C)COC(=O)C CHEBI:50569 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.6 CC(C)OCC(=O)C CHEBI:87595 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [0,0,0,0,0,0|1,0,2]=3 46 B7R0.6 C[S+](C)CCC(=O)[O-] CHEBI:16457 [0,0,0,0,0,0|1,0,2]=3 47 B6R0.4 C(C(=O)O)NC=N CHEBI:18415 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 C(C(=O)O)NC=O CHEBI:21717 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 C(C(=O)[O-])NC=[NH2+] CHEBI:58479 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 C(CC(=O)[O-])C=O CHEBI:57706 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 C=CCCC(=O)O CHEBI:35936 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.4 C=CCCC(=O)[O-] CHEBI:35935 [1,0,0,0,0,0|0,0,3]=4 56 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.4 C=C\C=C\C(=O)[O-] CHEBI:37322 [1,0,0,0,0,0|0,0,3]=4 59 B6R0.4 CC(=CCCN)C CHEBI:87502 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.4 CC(=O)CCC=O CHEBI:87363 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.4 CC(=O)NCCO CHEBI:74687 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 CC(C)CCC=O CHEBI:17998 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.4 CC(C)CCCO CHEBI:63910 [1,0,0,0,0,0|0,0,3]=4 64 B6R0.4 CCCCC(=O)N CHEBI:16459 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [1,0,0,0,0,0|0,0,3]=4 67 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [1,0,0,0,0,0|0,0,2]=3 70 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [1,0,0,0,0,0|0,0,2]=3 71 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [1,0,0,0,0,0|0,0,2]=3 72 B6R0.4 CSCCC(=O)O CHEBI:1438 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.4 C[S+](C)CCC=O CHEBI:74027 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [1,0,0,0,0,0|0,0,0]=1 76 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [1,0,0,0,0,0|0,0,0]=1 77 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [1,0,0,0,0,0|0,0,0]=1 78 B8R0.9 C(C(=O)NCC(=O)O)N CHEBI:17201 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.9 C(C(=O)NCC(=O)[O-])[NH3+] CHEBI:356445 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.9 C(CC(=O)O)C(=O)C=O CHEBI:17204 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:132969 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:17549 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.9 C(CC(=O)O)C(=O)C[NH3+] CHEBI:132970 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.9 C(CC(=O)[O-])C(=O)CN CHEBI:12109 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.9 C(CC(=O)[O-])C(=O)C[NH3+] CHEBI:356416 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.9 CC(=O)NCC(=O)NC CHEBI:74101 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.9 CC(C)CCC(=NO)C CHEBI:131376 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.9 CCC(=O)NCC(=O)O CHEBI:89836 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.9 CCC(=O)NCC(=O)[O-] CHEBI:132936 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.9 COC(=O)CCC(=O)O CHEBI:75146 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.23 C(=C(\C(=O)O)/O)/C(=O)O CHEBI:28394 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.23 C(C(=N)C(=O)O)C(=O)O CHEBI:50616 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.23 C(C(=N)C(=O)[O-])C(=O)[O-] CHEBI:58831 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.23 C(C(=O)C(=O)O)C(=O)N CHEBI:16327 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.23 C(C(=O)C(=O)O)C(=O)O CHEBI:30744 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.23 C(C(=O)C(=O)O)P(=O)O CHEBI:18007 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.23 C(C(=O)C(=O)O)S(=O)O CHEBI:1665 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.23 C(C(=O)C(=O)[O-])C(=O)N CHEBI:57735 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.23 C(C(=O)C(=O)[O-])C(=O)[O-] CHEBI:16452 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.23 C(C(=O)O)(N)NC(=O)N CHEBI:16282 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.23 C(C(=O)O)(NC(=O)N)O CHEBI:49050 [0,1,0,0,0,0|3,0,0]=4 102 B8R0.23 C(C(=[NH2+])C(=O)[O-])C(=O)[O-] CHEBI:77875 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.23 C(C(C(=O)N)N)C(=O)O CHEBI:49010 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.23 C(C(C(=O)O)Br)C(=O)O CHEBI:73712 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.23 C(C(C(=O)O)Cl)C(=O)O CHEBI:90244 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.23 C(C(C(=O)O)N)C(=O)N CHEBI:22653 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.23 C(C(C(=O)O)N)C(=O)O CHEBI:22660 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.23 C(C(C(=O)O)O)C(=O)O CHEBI:6650 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.23 C(C(C(=O)O)S)C(=O)O CHEBI:38705 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.23 C(C(C(=O)O)S)C(=O)[O-] CHEBI:38707 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.23 C(C(C(=O)O)[NH3+])C(=O)N CHEBI:32661 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.23 C(C(C(=O)O)[S-])C(=O)O CHEBI:38709 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.23 C(C(C(=O)[O-])[S-])C(=O)O CHEBI:38714 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O CHEBI:21248 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CHEBI:17196 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CHEBI:17053 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O CHEBI:30797 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 C([C@@H](C(=O)O)S)C(=O)O CHEBI:38720 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.23 C([C@@H](C(=O)O)[NH3+])C(=O)N CHEBI:32651 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.23 C([C@H](C(=O)N)N)C(=O)O CHEBI:49011 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.23 C([C@H](C(=O)O)N)C(=O)N CHEBI:28159 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CHEBI:17364 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.23 C([C@H](C(=O)O)O)C(=O)O CHEBI:30796 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.23 C([C@H](C(=O)O)S)C(=O)O CHEBI:38719 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.23 C([C@H](C(=O)O)[NH3+])C(=O)N CHEBI:32657 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.23 C=C(CC(=O)O)C(=O)O CHEBI:30838 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.23 C=C(CC(=O)[O-])C(=O)[O-] CHEBI:17240 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.23 C=C(C[C@@H](C(=O)O)N)Cl CHEBI:15885 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.23 CC(=O)CC(=O)C(=O)O CHEBI:2424 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.23 CC(=O)CC(=O)C(=O)[O-] CHEBI:15360 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.23 CC(=O)CC(C(=O)O)N CHEBI:15914 [0,1,0,0,0,0|1,0,1]=3 132 B8R0.23 CC(=O)CC(C(=O)[O-])[NH3+] CHEBI:57563 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.23 CC(C)C(=O)CC(=O)O CHEBI:29024 [0,1,0,0,0,0|0,0,1]=2 134 B8R0.23 CC(C)C(=O)CC(=O)[O-] CHEBI:62222 [0,1,0,0,0,0|0,0,2]=3 135 B8R0.23 CC(C)C(CC(=O)O)N CHEBI:72772 [0,1,0,0,0,0|0,0,2]=3 136 B8R0.23 CC(C)CC(=O)C(=O)O CHEBI:48430 [0,1,0,0,0,0|0,0,3]=4 137 B8R0.23 CC(C)CC(C(=O)O)N CHEBI:25017 [0,1,0,0,0,0|0,0,2]=3 138 B8R0.23 CC(C)CC(C(=O)O)O CHEBI:59783 [0,1,0,0,0,0|0,0,2]=3 139 B8R0.23 CC(C)CC(C(=O)O)[NH3+] CHEBI:32628 [0,1,0,0,0,0|0,0,2]=3 140 B8R0.23 CC(C)CC(C(=O)[O-])N CHEBI:32627 [0,1,0,0,0,0|0,0,3]=4 141 B8R0.23 CC(C)CC(C(=O)[O-])O CHEBI:133577 [0,1,0,0,0,0|0,0,3]=4 142 B8R0.23 CC(C)C[C@@H](C(=O)N)N CHEBI:21349 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.23 CC(C)C[C@@H](C(=O)O)N CHEBI:15603 [0,1,0,0,0,0|0,0,2]=3 144 B8R0.23 CC(C)C[C@@H](C(=O)O)O CHEBI:44510 [0,1,0,0,0,0|0,0,2]=3 145 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH3+] CHEBI:32620 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.23 CC(C)C[C@@H](C(=O)[O-])N CHEBI:32619 [0,1,0,0,0,0|0,0,3]=4 147 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] CHEBI:57427 [0,1,0,0,0,0|0,0,3]=4 148 B8R0.23 CC(C)C[C@H](C(=O)O)N CHEBI:28225 [0,1,0,0,0,0|0,0,2]=3 149 B8R0.23 CC(C)C[C@H](C(=O)O)O CHEBI:55534 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.23 CC(C)C[C@H](C(=O)O)[NH3+] CHEBI:32624 [0,1,0,0,0,0|0,0,2]=3 151 B8R0.23 CC(C)C[C@H](C(=O)[O-])N CHEBI:32623 [0,1,0,0,0,0|0,0,3]=4 152 B8R0.23 CC(C)C[C@H](C(=O)[O-])O CHEBI:55535 [0,1,0,0,0,0|0,0,3]=4 153 B8R0.23 CC(C)[C@@H](CC(=O)O)N CHEBI:15604 [0,1,0,0,0,0|0,0,2]=3 154 B8R0.23 CC(C)[C@@H](CC(=O)[O-])[NH3+] CHEBI:57428 [0,1,0,0,0,0|0,0,3]=4 155 B8R0.23 CC(C)[C@H](CC(=O)O)N CHEBI:86261 [0,1,0,0,0,0|0,0,2]=3 156 B8R0.23 CC(CC(=O)O)C(=O)O CHEBI:91315 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.23 CC(CC(C(=O)O)N)N CHEBI:904 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.23 CN(C)CC(C(=O)O)N CHEBI:88163 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.23 CN(CC(=O)O)C(=N)N CHEBI:16919 [0,1,0,0,0,0|3,0,0]=4 160 B8R0.23 CN(CC(=O)O)C(=O)N CHEBI:15737 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.23 C[C@@H](C(=O)O)NC(=O)C CHEBI:40992 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.23 C[C@@H](C(=O)[O-])NC(=O)C CHEBI:133520 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CHEBI:91316 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.23 C[C@@H](C[C@H](C(=O)O)N)N CHEBI:4280 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.23 C[C@H](CC(=O)O)C(=O)O CHEBI:91317 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.23 C\C(=C/C(=O)O)\C(=O)O CHEBI:16600 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CHEBI:17626 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.23 [*][C@@H](C(=O)O)NC(=O)N CHEBI:51353 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.23 [*][C@H](C(=O)O)NC(=O)[*] CHEBI:15778 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.23 [C@@H](C(=O)O)(NC(=O)N)O CHEBI:28785 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N CHEBI:59945 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O CHEBI:15412 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.29 CN(C)CCP(=O)(O)O CHEBI:7265 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CHEBI:28825 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.29 C[Si](C)(C)CCC(=O)O CHEBI:85487 [0,1,0,0,0,0|0,1,1]=3 176 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85363 [0,1,0,0,0,0|0,1,2]=4 177 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85486 [0,1,0,0,0,0|0,1,2]=4 178 B8R1.3 C1C(=O)NCC(=O)N1 CHEBI:16535 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.3 C1CC(=O)CCC1=O CHEBI:28286 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [0,0,0,1,0,0|1,0,2]=4 181 B6R0.2 C(=O)(N)NC(=O)O CHEBI:9889 [0,0,0,0,1,0|3,0,0]=4 182 B6R0.2 C(=O)(O)OC(=O)O CHEBI:48501 [0,0,0,0,1,0|3,0,0]=4 183 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [0,0,0,0,1,0|2,0,0]=3 184 B6R0.2 C(C(=O)N)C(=O)[O-] CHEBI:49102 [0,0,0,0,1,0|2,0,1]=4 185 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [0,0,0,0,1,0|2,0,0]=3 186 B6R0.2 C(C(=O)O)C(=O)[O-] CHEBI:30795 [0,0,0,0,1,0|2,0,0]=3 187 B6R0.2 C(C(=O)[O-])C(=O)[O-] CHEBI:15792 [0,0,0,0,1,0|2,0,1]=4 188 B6R0.2 C(C(=O)[O-])C(=O)[O-] CHEBI:62983 [0,0,0,0,1,0|2,0,1]=4 189 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [0,0,0,0,1,0|1,0,1]=3 190 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [0,0,0,0,1,0|0,0,0]=1 191 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [0,0,0,0,1,0|2,0,0]=3 192 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [0,0,0,0,1,0|2,0,0]=3 193 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,0,0,0,1,0|1,0,0]=2 194 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [0,0,0,0,1,0|1,0,1]=3 195 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [0,0,0,0,1,0|3,0,0]=4 196 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [0,0,0,0,1,0|2,0,1]=4 197 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,0,0,0,1,0|0,0,1]=2 198 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,0,0,0,1,0|0,0,2]=3 199 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,0,0,0,1,0|1,0,1]=3 200 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,0,0,0,1,0|1,0,1]=3 201 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,0,0,0,1,0|1,0,2]=4 202 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,0,0,0,1,0|1,0,2]=4 203 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,0,0,0,1,0|1,0,2]=4 204 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,0,0,0,1,0|1,0,0]=2 205 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,0,0,0,1,0|1,0,1]=3 206 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,0,0,0,1,0|1,0,2]=4 207 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,0,0,0,1,0|1,0,1]=3 208 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,0,0,0,1,0|1,0,2]=4 209 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [0,0,0,0,1,0|1,0,1]=3 210 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,0,0,0,1,0|1,0,0]=2 211 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [0,0,0,0,1,0|1,0,1]=3 212 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [0,0,0,0,1,0|2,0,0]=3 213 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [0,0,0,0,1,0|2,0,0]=3 214 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [0,0,0,0,1,0|2,0,0]=3 215 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [0,0,0,0,1,0|2,0,0]=3 216 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,0,0,0,1,0|1,0,0]=2 217 B8R0.28 C(=C/NC(=O)N)/C(=O)O CHEBI:59890 [0,0,0,0,0,1|2,0,1]=4 218 B8R0.28 C(=C/SC(=N)N)/C(=O)O CHEBI:35050 [0,0,0,0,0,1|2,0,1]=4 219 B8R0.28 C(C(=O)O)NCC(=O)O CHEBI:24786 [0,0,0,0,0,1|2,0,1]=4 220 B8R0.28 C(C(=O)O)SCC(=O)O CHEBI:35012 [0,0,0,0,0,1|2,0,1]=4 221 B8R0.28 C(CC(=O)N)CC(=O)O CHEBI:24326 [0,0,0,0,0,1|2,0,1]=4 222 B8R0.28 C(CC(=O)O)CC(=O)O CHEBI:17859 [0,0,0,0,0,1|2,0,1]=4 223 B8R0.28 C(CC(=O)O)CC(=O)[O-] CHEBI:35907 [0,0,0,0,0,1|2,0,1]=4 224 B8R0.28 C(CNC(=N)N)C(=O)O CHEBI:15968 [0,0,0,0,0,1|2,0,1]=4 225 B8R0.28 C(CNC(=O)N)C(=O)O CHEBI:18261 [0,0,0,0,0,1|2,0,1]=4 226 B8R0.28 C(CNC(=O)O)C(=O)O CHEBI:21694 [0,0,0,0,0,1|2,0,1]=4 227 B8R0.28 C(NC(=O)N)NC(=O)O CHEBI:15569 [0,0,0,0,0,1|3,0,0]=4 228 B8R0.28 C(\C=C/C(=O)O)C(=O)O CHEBI:50429 [0,0,0,0,0,1|2,0,0]=3 229 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:15670 [0,0,0,0,0,1|2,0,0]=3 230 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:24309 [0,0,0,0,0,1|2,0,0]=3 231 B8R0.28 C(\C=C\C(=O)[O-])C(=O)[O-] CHEBI:36134 [0,0,0,0,0,1|2,0,1]=4 232 B8R0.28 C(\C=C\C(=O)[O-])C(=O)[O-] CHEBI:36460 [0,0,0,0,0,1|2,0,1]=4 233 B8R0.28 CC(=CCCC(=O)C)C CHEBI:16310 [0,0,0,0,0,1|1,0,0]=2 234 B8R0.28 CC(=O)CCCC(=O)O CHEBI:15888 [0,0,0,0,0,1|1,0,1]=3 235 B8R0.28 CC(=O)CCCC(=O)[O-] CHEBI:12154 [0,0,0,0,0,1|1,0,2]=4 236 B8R0.28 CC(=O)CCOC(=O)C CHEBI:87390 [0,0,0,0,0,1|2,0,1]=4 237 B8R0.28 CC(=O)NCCC(=O)O CHEBI:16682 [0,0,0,0,0,1|1,0,1]=3 238 B8R0.28 CC(=O)NCCC(=O)[O-] CHEBI:57857 [0,0,0,0,0,1|1,0,2]=4 239 B8R0.28 CC(C)CCOC(=O)C CHEBI:31725 [0,0,0,0,0,1|1,0,2]=4 240 B8R0.28 CC(CCC=C(C)C)O CHEBI:15833 [0,0,0,0,0,1|1,0,1]=3 241 B8R0.28 CC(CCCC(=O)O)O CHEBI:131434 [0,0,0,0,0,1|1,0,2]=4 242 B8R0.28 C[C@H](CCCC(=O)O)O CHEBI:78842 [0,0,0,0,0,1|1,0,2]=4 243 B5R0.1 C#CCC(=O)O CHEBI:1461 [2,0,0,0,0,0|0,0,2]=4 244 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.1 C(=C/N)/C(=O)[O-] CHEBI:59894 [2,0,0,0,0,0|1,0,1]=4 246 B5R0.1 C(=C\Cl)/C(=O)O CHEBI:19982 [2,0,0,0,0,0|1,0,0]=3 247 B5R0.1 C(=C\Cl)/C(=O)[O-] CHEBI:62074 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.1 C(C(=O)O)NO CHEBI:38049 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [2,0,0,0,0,0|1,0,0]=3 251 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.1 C(CN)C(=O)O CHEBI:16958 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.1 C(CO)C(=O)O CHEBI:33404 [2,0,0,0,0,0|1,0,1]=4 254 B5R0.1 C(CS)C(=O)O CHEBI:44111 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.1 C=CCC(=O)O CHEBI:35897 [2,0,0,0,0,0|0,0,0]=2 256 B5R0.1 C=CCC(=O)[O-] CHEBI:35900 [2,0,0,0,0,0|0,0,1]=3 257 B5R0.1 C=COC(=O)N CHEBI:27292 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.1 CC(=C)CCO CHEBI:62898 [2,0,0,0,0,0|0,0,2]=4 259 B5R0.1 CC(=CC=O)C CHEBI:15825 [2,0,0,0,0,0|0,0,0]=2 260 B5R0.1 CC(=CCO)C CHEBI:16019 [2,0,0,0,0,0|0,0,0]=2 261 B5R0.1 CC(=O)CC=C CHEBI:87508 [2,0,0,0,0,0|1,0,0]=3 262 B5R0.1 CC(=O)CCO CHEBI:41268 [2,0,0,0,0,0|1,0,1]=4 263 B5R0.1 CC(=O)OC=C CHEBI:46916 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.1 CC(C)CC=O CHEBI:16638 [2,0,0,0,0,0|0,0,1]=3 265 B5R0.1 CC(C)CCO CHEBI:15837 [2,0,0,0,0,0|0,0,2]=4 266 B5R0.1 CC(C)CNO CHEBI:131928 [2,0,0,0,0,0|1,0,1]=4 267 B5R0.1 CC(C)\C=C\O CHEBI:77922 [2,0,0,0,0,0|0,0,1]=3 268 B5R0.1 CC(C)\C=N/O CHEBI:61144 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.1 CC(C)\C=N\O CHEBI:17502 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.1 CC(C)\C=N\O CHEBI:61143 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.1 CC=CC(=O)C CHEBI:89540 [2,0,0,0,0,0|1,0,0]=3 272 B5R0.1 CCCC(=O)C CHEBI:16472 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.1 CCCC(=O)N CHEBI:50724 [2,0,0,0,0,0|1,0,1]=4 274 B5R0.1 CCCC(=O)O CHEBI:30772 [2,0,0,0,0,0|0,0,1]=3 275 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [2,0,0,0,0,0|0,0,2]=4 276 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [2,0,0,0,0,0|0,0,2]=4 277 B5R0.1 CCOC(=O)O CHEBI:50849 [2,0,0,0,0,0|1,0,1]=4 278 B5R0.1 CN(C)CCO CHEBI:271436 [2,0,0,0,0,0|1,0,1]=4 279 B5R0.1 CNCC(=O)O CHEBI:15611 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [2,0,0,0,0,0|1,0,1]=4 281 B5R0.1 COCC(=O)O CHEBI:132098 [2,0,0,0,0,0|1,0,0]=3 282 B5R0.1 COCC(=O)[O-] CHEBI:132096 [2,0,0,0,0,0|1,0,1]=4 283 B5R0.1 COCC(=O)[O-] CHEBI:132097 [2,0,0,0,0,0|1,0,1]=4 284 B5R0.1 CSCC(=O)O CHEBI:47870 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [2,0,0,0,0,0|1,0,0]=3 287 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 C[S+](C)CCO CHEBI:63035 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [2,0,0,0,0,0|0,0,0]=2 290 B5R0.1 C\C=C/C(=O)[O-] CHEBI:36254 [2,0,0,0,0,0|0,0,1]=3 291 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [2,0,0,0,0,0|0,0,0]=2 292 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [2,0,0,0,0,0|0,0,0]=2 293 B5R0.1 C\C=C\C(=O)[O-] CHEBI:35899 [2,0,0,0,0,0|0,0,1]=3 294 B5R0.1 C\C=C\C(=O)[O-] CHEBI:36258 [2,0,0,0,0,0|0,0,1]=3 295 B5R0.2 C(=C/C=O)/C=O CHEBI:38126 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.2 C(=C\C=O)/C=O CHEBI:38123 [2,0,0,0,0,0|1,0,1]=4 297 B5R0.2 C(=C\C=O)/C=O CHEBI:39827 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.2 CCCCC=O CHEBI:84069 [2,0,0,0,0,0|0,0,2]=4 299 B5R0.2 CC\C=C\C=O CHEBI:61722 [2,0,0,0,0,0|0,0,2]=4 300 B5R0.2 CSCCC=O CHEBI:49017 [2,0,0,0,0,0|1,0,1]=4 301 B7R0.2 C(C(=O)O)N(C=O)O CHEBI:43040 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.2 CC(C=O)OC(=O)C CHEBI:87544 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [1,1,0,0,0,0|0,0,1]=3 304 B7R0.2 CCC(=O)CC(=O)[O-] CHEBI:20177 [1,1,0,0,0,0|0,0,2]=4 305 B7R0.2 [*]SC(=O)CC(=O)O CHEBI:17330 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.3 CCC(=O)\C=C\C=O CHEBI:76721 [1,1,0,0,0,0|1,0,1]=4 307 B7R0.3 CCOCC(=O)CO CHEBI:37552 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.4 C(CC=O)CC(=O)O CHEBI:39153 [1,1,0,0,0,0|1,0,1]=4 309 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,1,0,0,0,0|0,0,2]=4 310 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,1,0,0,0,0|0,0,2]=4 312 B7R0.4 CC(=O)NCCC=O CHEBI:30322 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.4 CC(C)CCOC=O CHEBI:31726 [1,1,0,0,0,0|0,0,2]=4 314 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,1,0,0,0,0|0,0,2]=4 315 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,1,0,0,0,0|0,0,2]=4 316 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,1,0,0,0,0|0,0,2]=4 317 B7R0.4 CC\C=C/CC(=O)O CHEBI:49284 [1,1,0,0,0,0|0,0,0]=2 318 B7R0.4 CC\C=C\CC(=O)C CHEBI:87582 [1,1,0,0,0,0|1,0,0]=3 319 B7R0.4 CC\C=C\CC(=O)O CHEBI:49283 [1,1,0,0,0,0|0,0,0]=2 320 B7R0.4 CC\C=C\CC(=O)O CHEBI:49285 [1,1,0,0,0,0|0,0,0]=2 321 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,1,0,0,0,0|0,0,2]=4 322 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [1,1,0,0,0,0|0,0,1]=3 323 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,1,0,0,0,0|0,0,1]=3 324 B7R0.4 C\C=C/CCC(=O)O CHEBI:38357 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,1,0,0,0,0|0,0,1]=3 326 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,1,0,0,0,0|0,0,1]=3 327 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,1,0,0,0,0|0,0,1]=3 328 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:36550 [1,1,0,0,0,0|0,0,2]=4 329 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77868 [1,1,0,0,0,0|0,0,2]=4 330 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77869 [1,1,0,0,0,0|0,0,2]=4 331 B7R0.4 C\C=C\CCC(=O)O CHEBI:38355 [1,1,0,0,0,0|0,0,0]=2 332 B7R0.4 C\C=C\CCC(=O)O CHEBI:38356 [1,1,0,0,0,0|0,0,0]=2 333 B7R0.5 C(C=O)[C@@H](C(=O)O)N CHEBI:18051 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [1,1,0,0,0,0|0,0,2]=4 335 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [1,1,0,0,0,0|0,0,2]=4 336 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [1,1,0,0,0,0|0,0,2]=4 337 B7R0.5 CCCC(C(=O)O)N CHEBI:19475 [1,1,0,0,0,0|0,0,2]=4 338 B7R0.5 CCCC(C(=O)O)O CHEBI:60647 [1,1,0,0,0,0|0,0,2]=4 339 B7R0.5 CCC[C@@H](C(=O)O)N CHEBI:18314 [1,1,0,0,0,0|0,0,2]=4 340 B7R0.5 CCC[C@H](C(=O)O)N CHEBI:28804 [1,1,0,0,0,0|0,0,2]=4 341 B7R0.5 CNC[C@@H](C(=O)O)N CHEBI:73169 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.5 COC[C@@H](C(=O)O)N CHEBI:74798 [1,1,0,0,0,0|1,0,1]=4 343 B7R0.5 CSC[C@@H](C(=O)O)N CHEBI:45658 [1,1,0,0,0,0|1,0,1]=4 344 B7R0.5 C[Se]CC(C(=O)O)N CHEBI:9068 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.5 C[Se]CC(C(=O)O)[NH3+] CHEBI:53132 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.5 C[Se]C[C@@H](C(=O)O)N CHEBI:27812 [1,1,0,0,0,0|1,0,1]=4 347 B7R0.5 C[Se]C[C@@H](C(=O)O)[NH3+] CHEBI:53130 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.5 C[Se]C[C@H](C(=O)O)N CHEBI:53125 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.5 C[Se]C[C@H](C(=O)O)[NH3+] CHEBI:53131 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.5 C\C=C\C(C)C(=C)C CHEBI:87530 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.9 CC(=O)CC(C)(C)O CHEBI:55381 [0,1,0,0,1,0|1,0,1]=4 352 B7R0.9 CC(=O)CC(C)(C)S CHEBI:77856 [0,1,0,0,1,0|1,0,1]=4 353 B7R0.9 CC(C)(C)CC(=O)O CHEBI:38647 [0,1,0,0,1,0|0,0,1]=3 354 B7R0.9 CC(C)(CC(=O)O)O CHEBI:37084 [0,1,0,0,1,0|0,0,1]=3 355 B7R0.9 CC(C)(CC(=O)[O-])O CHEBI:82957 [0,1,0,0,1,0|0,0,2]=4 356 B7R0.9 C[N+](C)(C)CC(=O)O CHEBI:41139 [0,1,0,0,1,0|1,0,0]=3 357 B7R0.9 C[N+](C)(C)CC(=O)[O-] CHEBI:17750 [0,1,0,0,1,0|1,0,1]=4 358 B7R0.9 C[N+](C)(C)CC(=O)[O-] CHEBI:91242 [0,1,0,0,1,0|1,0,1]=4 359 B7R0.16 C(=O)(C(=O)O)C(=O)O CHEBI:30842 [0,1,0,0,1,0|2,0,0]=4 360 B7R0.16 C(=O)(C(=O)O)C(=O)[O-] CHEBI:30843 [0,1,0,0,1,0|2,0,0]=4 361 B7R0.16 C(C(=O)O)(C(=O)O)N CHEBI:17475 [0,1,0,0,1,0|2,0,0]=4 362 B7R0.16 C(C(=O)O)(C(=O)O)O CHEBI:16513 [0,1,0,0,1,0|2,0,0]=4 363 B7R0.16 C(C(=O)O)(C(=O)[O-])O CHEBI:30844 [0,1,0,0,1,0|2,0,0]=4 364 B7R0.16 CC(=C(C(=O)O)O)C CHEBI:132177 [0,1,0,0,1,0|0,0,0]=2 365 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [0,1,0,0,1,0|1,0,0]=3 366 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [0,1,0,0,1,0|1,0,0]=3 367 B7R0.16 CC(=O)[C@@H](C(=O)[O-])N CHEBI:16944 [0,1,0,0,1,0|1,0,1]=4 368 B7R0.16 CC(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:78948 [0,1,0,0,1,0|1,0,1]=4 369 B7R0.16 CC(C(=O)C)C(=O)O CHEBI:37079 [0,1,0,0,1,0|1,0,0]=3 370 B7R0.16 CC(C(=O)C)C(=O)[O-] CHEBI:19680 [0,1,0,0,1,0|1,0,1]=4 371 B7R0.16 CC(C(=O)O)C(=O)O CHEBI:30860 [0,1,0,0,1,0|2,0,0]=4 372 B7R0.16 CC(C(=O)O)C(=O)[O-] CHEBI:30861 [0,1,0,0,1,0|2,0,0]=4 373 B7R0.16 CC(C(C(=O)O)N)O CHEBI:38263 [0,1,0,0,1,0|1,0,1]=4 374 B7R0.16 CC(C(C(=O)O)O)O CHEBI:86347 [0,1,0,0,1,0|1,0,1]=4 375 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [0,1,0,0,1,0|1,0,1]=4 376 B7R0.16 CC(C)C(=O)C(=O)O CHEBI:16530 [0,1,0,0,1,0|0,0,1]=3 377 B7R0.16 CC(C)C(=O)C(=O)[O-] CHEBI:11851 [0,1,0,0,1,0|0,0,2]=4 378 B7R0.16 CC(C)C(C(=O)O)N CHEBI:27266 [0,1,0,0,1,0|0,0,1]=3 379 B7R0.16 CC(C)C(C(=O)O)O CHEBI:60645 [0,1,0,0,1,0|0,0,1]=3 380 B7R0.16 CC(C)C(C(=O)O)[NH3+] CHEBI:32860 [0,1,0,0,1,0|0,0,1]=3 381 B7R0.16 CC(C)C(C(=O)[O-])N CHEBI:32859 [0,1,0,0,1,0|0,0,2]=4 382 B7R0.16 CC(C)C(C(=O)[O-])O CHEBI:64669 [0,1,0,0,1,0|0,0,2]=4 383 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [0,1,0,0,1,0|0,0,1]=3 384 B7R0.16 CC(C)[C@@H](C(=O)O)N CHEBI:16414 [0,1,0,0,1,0|0,0,1]=3 385 B7R0.16 CC(C)[C@@H](C(=O)O)O CHEBI:60631 [0,1,0,0,1,0|0,0,1]=3 386 B7R0.16 CC(C)[C@@H](C(=O)O)[NH3+] CHEBI:32852 [0,1,0,0,1,0|0,0,1]=3 387 B7R0.16 CC(C)[C@@H](C(=O)[O-])N CHEBI:32851 [0,1,0,0,1,0|0,0,2]=4 388 B7R0.16 CC(C)[C@@H](C(=O)[O-])O CHEBI:744019 [0,1,0,0,1,0|0,0,2]=4 389 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] CHEBI:57762 [0,1,0,0,1,0|0,0,2]=4 390 B7R0.16 CC(C)[C@H](C(=O)O)N CHEBI:27477 [0,1,0,0,1,0|0,0,1]=3 391 B7R0.16 CC(C)[C@H](C(=O)O)O CHEBI:46415 [0,1,0,0,1,0|0,0,1]=3 392 B7R0.16 CC(C)[C@H](C(=O)O)[NH3+] CHEBI:32856 [0,1,0,0,1,0|0,0,1]=3 393 B7R0.16 CC(C)[C@H](C(=O)[O-])N CHEBI:32855 [0,1,0,0,1,0|0,0,2]=4 394 B7R0.16 CC(C)[C@H](C(=O)[O-])[NH3+] CHEBI:74338 [0,1,0,0,1,0|0,0,2]=4 395 B7R0.16 C[C@@H](C(=O)O)N(C)C CHEBI:77042 [0,1,0,0,1,0|1,0,0]=3 396 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [0,1,0,0,1,0|0,0,1]=3 397 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O CHEBI:28718 [0,1,0,0,1,0|1,0,1]=4 398 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O CHEBI:16398 [0,1,0,0,1,0|1,0,1]=4 399 B7R0.16 C[C@@H]([C@H](C(=O)O)[NH3+])O CHEBI:32828 [0,1,0,0,1,0|1,0,1]=4 400 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [0,1,0,0,1,0|1,0,1]=4 401 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [0,1,0,0,1,0|0,0,1]=3 402 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CHEBI:16857 [0,1,0,0,1,0|1,0,1]=4 403 B7R0.16 C[C@H]([C@@H](C(=O)O)O)O CHEBI:86391 [0,1,0,0,1,0|1,0,1]=4 404 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH3+])O CHEBI:32822 [0,1,0,0,1,0|1,0,1]=4 405 B7R0.16 C[C@H]([C@H](C(=O)O)N)O CHEBI:32826 [0,1,0,0,1,0|1,0,1]=4 406 B7R0.16 [13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2] CHEBI:87977 [0,1,0,0,1,0|0,0,1]=3 407 B9R0.1 CC(=CCCC(=C)C=C)C CHEBI:17221 [0,1,0,0,0,1|2,0,0]=4 408 B9R0.1 CC(=CC\C=C(/C)\C=C)C CHEBI:64280 [0,1,0,0,0,1|2,0,0]=4 409 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:10436 [0,1,0,0,0,1|2,0,0]=4 410 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:87574 [0,1,0,0,0,1|2,0,0]=4 411 B9R0.1 CC(CCC=C(C)C)CO CHEBI:87594 [0,1,0,0,0,1|1,0,1]=4 412 B9R0.1 COC(=O)CCCC(=O)O CHEBI:86396 [0,1,0,0,0,1|1,0,1]=4 413 B9R0.1 C\C(=C/C=C/C(=O)C)\CO CHEBI:53533 [0,1,0,0,0,1|1,0,1]=4 414 B9R0.7 C(C(=O)O)NC(=O)C(=O)O CHEBI:44482 [0,1,0,0,0,1|2,0,0]=4 415 B9R0.7 C(CC(=O)O)C(=O)C(=O)N CHEBI:30883 [0,1,0,0,0,1|2,0,0]=4 416 B9R0.7 C(CC(=O)O)C(=O)C(=O)O CHEBI:30915 [0,1,0,0,0,1|2,0,0]=4 417 B9R0.7 C(CC(=O)O)C(=O)C(=O)[O-] CHEBI:30916 [0,1,0,0,0,1|2,0,0]=4 418 B9R0.7 C=C(CCC(=O)O)C(=O)O CHEBI:17207 [0,1,0,0,0,1|2,0,0]=4 419 B9R0.7 CC(=O)CCC(C(=O)O)N CHEBI:19450 [0,1,0,0,0,1|1,0,1]=4 420 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N CHEBI:17981 [0,1,0,0,0,1|1,0,1]=4 421 B9R0.7 CC(C)C(=O)NCC(=O)O CHEBI:70979 [0,1,0,0,0,1|0,0,1]=3 422 B9R0.7 CC(C)C(=O)NCC(=O)[O-] CHEBI:133610 [0,1,0,0,0,1|0,0,2]=4 423 B9R0.7 C[C@@H](C(=O)NCC(=O)O)N CHEBI:73757 [0,1,0,0,0,1|1,0,1]=4 424 B9R0.7 C[C@H](C(=O)NCC(=O)O)N CHEBI:73836 [0,1,0,0,0,1|1,0,1]=4 425 B9R0.7 C[S+](C)CC[C@@H](C(=O)O)N CHEBI:17728 [0,1,0,0,0,1|1,0,1]=4 426 B9R0.53 C(C(=O)NC(=O)N)C(=O)O CHEBI:49049 [0,1,0,0,0,1|2,0,0]=4 427 B9R0.53 CC(=O)CC(=O)CC(=O)O CHEBI:16558 [0,1,0,0,0,1|1,0,0]=3 428 B9R0.53 CC(=O)CC(=O)CC(=O)[O-] CHEBI:57814 [0,1,0,0,0,1|1,0,1]=4 429 B9R0.53 CC(=O)CC(CC(=O)O)O CHEBI:37032 [0,1,0,0,0,1|1,0,1]=4 430 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N CHEBI:27713 [0,1,0,0,0,1|1,0,1]=4 431 B9R0.53 C\C(=C/C(=O)O)\CC(=O)O CHEBI:37245 [0,1,0,0,0,1|2,0,0]=4 432 B9R0.56 CC(=CCOP(=O)(O)O)C CHEBI:70739 [0,1,0,0,0,1|1,0,0]=3 433 B9R0.56 CC(=CCOP(=O)(O)O)C CHEBI:70742 [0,1,0,0,0,1|1,0,0]=3 434 B9R0.56 CC(=CCOP(=O)(O)O)C CHEBI:88245 [0,1,0,0,0,1|1,0,0]=3 435 B9R0.56 CC(=CCOP(=O)([O-])[O-])C CHEBI:68852 [0,1,0,0,0,1|1,0,1]=4 436 B9R0.56 CC(=CCOP(=O)([O-])[O-])C CHEBI:68854 [0,1,0,0,0,1|1,0,1]=4 437 B9R0.56 CC(=CCOP(=O)([O-])[O-])C CHEBI:88052 [0,1,0,0,0,1|1,0,1]=4 438 B9R0.56 C[N+](C)(C)CCCC(=O)O CHEBI:1941 [0,1,0,0,0,1|1,0,1]=4 439 B9R0.56 C[N+](C)(C)C\C=C\C(=O)O CHEBI:1774 [0,1,0,0,0,1|1,0,1]=4 440 B9R0.56 C[N+](C)(C)C\C=C\C(=O)O CHEBI:48867 [0,1,0,0,0,1|1,0,1]=4 441 B9R0.23 CC(C)C[C@@H](C(=O)OC)N CHEBI:44075 [0,2,0,0,0,0|0,0,2]=4 442 B9R0.24 COC(=O)CCC(=O)CN CHEBI:724125 [0,2,0,0,0,0|1,0,1]=4 443 B9R0.24 COC(=O)CCC(=O)C[NH3+] CHEBI:60641 [0,2,0,0,0,0|1,0,1]=4 444 B9R0.24 COC(=O)\C=C/C(=O)OC CHEBI:35460 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.24 COC(=O)\C=C\C(=O)OC CHEBI:76004 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.42 C(C(=O)CO)C(=O)C(=O)O CHEBI:28679 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.42 C(C(=O)CO)C(=O)C(=O)[O-] CHEBI:86001 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.42 CC(C(=O)O)OC(=O)CO CHEBI:53493 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.42 CNC(=O)C[C@@H](C(=O)O)N CHEBI:44079 [0,2,0,0,0,0|1,0,1]=4 450 B9R0.42 COC(=O)CC(=O)C(=O)O CHEBI:16859 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.42 COC(=O)CC(=O)C(=O)[O-] CHEBI:57927 [0,2,0,0,0,0|2,0,0]=4 452 B9R0.42 COC(=O)C[C@H](C(=O)O)N CHEBI:87437 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN CHEBI:73855 [0,2,0,0,0,0|2,0,0]=4 454 B9R0.42 C[C@H](C(=O)O)NC(=O)CN CHEBI:73891 [0,2,0,0,0,0|2,0,0]=4 455 B9R0.48 C(CN)C(=O)NCC(=O)O CHEBI:73834 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.48 C=CCC(=O)NCC(=O)O CHEBI:74435 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.48 CCCC(=O)NCC(=O)O CHEBI:89963 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CHEBI:45441 [0,2,0,0,0,0|2,0,0]=4 459 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CHEBI:28939 [0,2,0,0,0,0|2,0,0]=4 460 B9R0.39 CC(C)CC(C(=O)O)NC CHEBI:43983 [0,2,0,0,0,0|0,0,2]=4 461 B9R0.79 C(C(=O)C(=O)O)(C(=O)O)O CHEBI:17778 [0,2,0,0,0,0|2,0,0]=4 462 B9R0.79 CC(C(=C)C(=O)O)C(=O)O CHEBI:16093 [0,2,0,0,0,0|2,0,0]=4 463 B9R0.79 CC(C(=O)C(=O)O)C(=O)O CHEBI:50793 [0,2,0,0,0,0|2,0,0]=4 464 B9R0.79 C[C@@H](C(=O)C(=O)O)C(=O)O CHEBI:6885 [0,2,0,0,0,0|2,0,0]=4 465 B9R0.79 C[C@H](C(=O)C(=O)O)C(=O)O CHEBI:50794 [0,2,0,0,0,0|2,0,0]=4 466 B9R0.79 [C@@H](C(=O)C(=O)O)(C(=O)O)O CHEBI:49012 [0,2,0,0,0,0|2,0,0]=4 467 B9R0.79 [C@H](C(=O)C(=O)O)(C(=O)O)O CHEBI:49013 [0,2,0,0,0,0|2,0,0]=4 468 B7R1.2 C1=CC(=O)OC1=O CHEBI:474859 [1,0,0,1,0,0|1,0,1]=4 469 B7R1.2 C1CC(=O)CC1=O CHEBI:41456 [1,0,0,1,0,0|1,0,1]=4 470 B7R1.2 C1CC(=O)OC1=O CHEBI:36595 [1,0,0,1,0,0|1,0,1]=4 471 B7R1.2 C=C1C=CC(=O)O1 CHEBI:28906 [1,0,0,1,0,0|0,0,2]=4 472 B7R1.2 C=C1CCC(=O)O1 CHEBI:36439 [1,0,0,1,0,0|0,0,2]=4 473 B7R1.2 CC1=CCC(=O)O1 CHEBI:36433 [1,0,0,1,0,0|0,0,0]=2 474 B7R1.2 CC1C=CC(=O)O1 CHEBI:36436 [1,0,0,1,0,0|0,0,2]=4 475 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [1,0,0,1,0,0|0,0,2]=4 476 B7R1.2 C[C@@H]1C=CC(=O)O1 CHEBI:36443 [1,0,0,1,0,0|0,0,2]=4 477 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [1,0,0,1,0,0|0,0,2]=4 478 B7R1.2 C[C@H]1C=CC(=O)O1 CHEBI:36444 [1,0,0,1,0,0|0,0,2]=4 479 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.3 C1CC(=O)CC=C1 CHEBI:48952 [1,0,0,1,0,0|1,0,0]=3 481 B7R1.3 C1CCOC(=O)C1 CHEBI:16545 [1,0,0,1,0,0|0,0,2]=4 482 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [1,0,0,1,0,0|0,0,2]=4 483 B7R1.18 C1CNC1C(=O)O CHEBI:38108 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.18 C1CN[C@@H]1C(=O)O CHEBI:6198 [1,0,0,1,0,0|1,0,1]=4 485 B7R1.18 C1CN[C@H]1C(=O)O CHEBI:38109 [1,0,0,1,0,0|1,0,1]=4 486 B9R1.35 C1C(C=NC1C(=O)O)O CHEBI:27391 [0,0,0,1,0,1|1,0,1]=4 487 B9R1.35 C1C(NCC1=O)C(=O)O CHEBI:37011 [0,0,0,1,0,1|1,0,1]=4 488 B9R1.35 C1CC(=O)CC1C(=O)O CHEBI:71213 [0,0,0,1,0,1|1,0,1]=4 489 B9R1.35 C1[C@@H](C=N[C@H]1C(=O)O)O CHEBI:37005 [0,0,0,1,0,1|1,0,1]=4 490 B9R1.35 C1[C@H](C=N[C@@H]1C(=O)O)O CHEBI:6151 [0,0,0,1,0,1|1,0,1]=4 491 B9R1.35 C1[C@H](NCC1=O)C(=O)O CHEBI:16821 [0,0,0,1,0,1|1,0,1]=4 492 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [0,0,0,1,0,1|1,0,1]=4 493 B9R1.69 Cc1ccc(cc1C)O CHEBI:39839 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.45 C=C1CC1[C@@H](C(=O)O)N CHEBI:136301 [0,1,0,1,0,0|0,0,2]=4 495 B5R0.5 C(=O)(C(=O)O)N CHEBI:18058 [0,0,0,0,2,0|2,0,0]=4 496 B5R0.5 C(=O)(C(=O)O)O CHEBI:16995 [0,0,0,0,2,0|2,0,0]=4 497 B5R0.5 C(=O)(C(=O)[O-])O CHEBI:46904 [0,0,0,0,2,0|2,0,0]=4 498 B5R0.5 C=C(C(=O)O)Cl CHEBI:73963 [0,0,0,0,2,0|1,0,1]=4 499 B5R0.5 C=C(C(=O)O)N CHEBI:17123 [0,0,0,0,2,0|1,0,1]=4 500 B5R0.5 C=C(C(=O)O)O CHEBI:86354 [0,0,0,0,2,0|1,0,1]=4 501 B5R0.5 CC(=C)C(=O)N CHEBI:51759 [0,0,0,0,2,0|1,0,1]=4 502 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,0,0,0,2,0|0,0,1]=3 503 B5R0.5 CC(=C)C(=O)[O-] CHEBI:25218 [0,0,0,0,2,0|0,0,2]=4 504 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,0,0,0,2,0|1,0,0]=3 505 B5R0.5 CC(=N)C(=O)[O-] CHEBI:77456 [0,0,0,0,2,0|1,0,1]=4 506 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [0,0,0,0,2,0|2,0,0]=4 507 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,0,0,0,2,0|1,0,0]=3 508 B5R0.5 CC(=O)C(=O)[O-] CHEBI:15361 [0,0,0,0,2,0|1,0,1]=4 509 B5R0.5 CC(=O)C(=O)[O-] CHEBI:50144 [0,0,0,0,2,0|1,0,1]=4 510 B5R0.5 CC(=O)N(C)C CHEBI:84254 [0,0,0,0,2,0|2,0,0]=4 511 B5R0.5 CC(=[NH2+])C(=O)[O-] CHEBI:44400 [0,0,0,0,2,0|1,0,1]=4 512 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,0,0,0,2,0|1,0,1]=4 513 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,0,0,0,2,0|1,0,1]=4 514 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,0,0,0,2,0|1,0,1]=4 515 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,0,0,0,2,0|1,0,1]=4 516 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,0,0,0,2,0|0,0,1]=3 517 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [0,0,0,0,2,0|0,0,2]=4 518 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,0,0,0,2,0|1,0,0]=3 519 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,0,0,0,2,0|1,0,1]=4 520 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,0,0,0,2,0|1,0,1]=4 521 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,0,0,0,2,0|1,0,1]=4 522 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,0,0,0,2,0|1,0,1]=4 523 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,0,0,0,2,0|1,0,1]=4 524 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,0,0,0,2,0|1,0,1]=4 525 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,0,0,0,2,0|1,0,1]=4 526 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,0,0,0,2,0|1,0,1]=4 527 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,0,0,0,2,0|1,0,1]=4 528 B5R0.5 [*]C(=O)C(=O)O CHEBI:35910 [0,0,0,0,2,0|2,0,0]=4 529 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,0,0,0,2,0|1,0,1]=4 530 B9R0.55 C(CC(=O)O)\C=C\C(=O)O CHEBI:36192 [0,0,0,0,0,2|2,0,0]=4 531 B9R0.55 C(CC(=O)O)\C=C\C(=O)O CHEBI:49296 [0,0,0,0,0,2|2,0,0]=4 532 B9R0.55 C(\C=C\CC(=O)O)C(=O)O CHEBI:86952 [0,0,0,0,0,2|2,0,0]=4 533 B9R0.55 C(\C=C\CC(=O)O)C(=O)O CHEBI:87166 [0,0,0,0,0,2|2,0,0]=4 534 B9R0.55 CC(=O)NCCCC(=O)O CHEBI:17645 [0,0,0,0,0,2|1,0,1]=4