0 B7R0.6 C(#CC(=O)N)C(=O)N CHEBI:51763 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C(#CC(=O)O)C(=O)O CHEBI:30781 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 C(#CC(=O)[O-])C(=O)O CHEBI:30782 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 C(#CC(=O)[O-])C(=O)[O-] CHEBI:15357 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 C(=C/C(=O)O)/C(=O)N CHEBI:29045 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 C(=C/C(=O)O)/C(=O)O CHEBI:18300 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 C(=C/C(=O)[O-])/C(=O)N CHEBI:16146 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.6 C(=C/C(=O)[O-])/C(=O)O CHEBI:37156 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] CHEBI:30780 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.6 C(=C/C(=O)[O-])/C(=O)[O-] CHEBI:91263 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:18012 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:22958 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:91084 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:115087 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37154 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37155 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] CHEBI:115156 [0,0,0,0,0,0|1,0,3]=4 17 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] CHEBI:29806 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] CHEBI:36180 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.6 C(=C\[N+](=O)[O-])/C(=O)O CHEBI:17610 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.6 C(C(=O)O)NC(=N)N CHEBI:16344 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.6 C(C(=O)O)NC(=O)N CHEBI:133351 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 C(C(=O)O)NC(=O)O CHEBI:87757 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.6 C(C(=O)[O-])NC(=N)N CHEBI:131444 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 C(C(=O)[O-])NC(=[NH2+])N CHEBI:57742 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.6 C(CC(=O)O)C(=O)N CHEBI:50398 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.6 C(CC(=O)[O-])C(=O)O CHEBI:30779 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.6 C(CC(=O)[O-])C(=O)[O-] CHEBI:30031 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.6 C(CC(=O)[O-])C(=O)[O-] CHEBI:63675 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.6 C(CC(=O)[O-])C(=O)[O-] CHEBI:63686 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.6 C(CS(=O)O)C(=O)O CHEBI:79222 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 C(C[N+](=O)[O-])C(=O)O CHEBI:16348 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.6 C(C[N+](=O)[O-])C(=O)[O-] CHEBI:59899 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.6 C(\C=[N+](/O)\[O-])C(=O)O CHEBI:16775 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.6 CC(=O)CCC(=O)C CHEBI:85014 [0,0,0,0,0,0|1,0,0]=1 36 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [0,0,0,0,0,0|0,0,0]=0 37 B7R0.6 CC(=O)CCC(=O)[O-] CHEBI:39150 [0,0,0,0,0,0|0,0,1]=1 38 B7R0.6 CC(=O)NCC(=O)O CHEBI:40410 [0,0,0,0,0,0|1,0,0]=1 39 B7R0.6 CC(=O)NCC(=O)[O-] CHEBI:61887 [0,0,0,0,0,0|1,0,1]=2 40 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [0,0,0,0,0,0|0,0,2]=2 41 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [0,0,0,0,0,0|1,0,1]=2 42 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [0,0,0,0,0,0|1,0,2]=3 43 B7R0.6 CC(C)COC(=O)C CHEBI:50569 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.6 CC(C)OCC(=O)C CHEBI:87595 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [0,0,0,0,0,0|1,0,1]=2 46 B7R0.6 CC(CCC(C)O)O CHEBI:84894 [0,0,0,0,0,0|1,0,3]=4 47 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [0,0,0,0,0,0|1,0,1]=2 48 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [0,0,0,0,0,0|0,0,2]=2 49 B7R0.6 C[S+](C)CCC(=O)[O-] CHEBI:16457 [0,0,0,0,0,0|2,0,1]=3 50 B6R0.4 C(=O)(O)OON=O CHEBI:62750 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 C(C(=O)O)NC=N CHEBI:18415 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.4 C(C(=O)O)NC=O CHEBI:21717 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.4 C(C(=O)[O-])NC=[NH2+] CHEBI:58479 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.4 C(CC(=O)O)C=O CHEBI:16265 [1,0,0,0,0,0|0,0,0]=1 55 B6R0.4 C(CC(=O)O)CN CHEBI:16865 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.4 C(CC(=O)O)CO CHEBI:30830 [1,0,0,0,0,0|0,0,2]=3 57 B6R0.4 C(CC(=O)[O-])C=O CHEBI:57706 [1,0,0,0,0,0|0,0,1]=2 58 B6R0.4 C(CC(=O)[O-])CN CHEBI:30566 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 C(CC(=O)[O-])CO CHEBI:16724 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.4 C(CC(=O)[O-])C[NH3+] CHEBI:59888 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.4 C(C[N+](=O)[O-])CO CHEBI:49042 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 C=CCCC(=O)O CHEBI:35936 [1,0,0,0,0,0|0,0,1]=2 63 B6R0.4 C=CCCC(=O)[O-] CHEBI:35935 [1,0,0,0,0,0|0,0,2]=3 64 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [1,0,0,0,0,0|0,0,3]=4 65 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [1,0,0,0,0,0|0,0,3]=4 66 B6R0.4 CC(=O)CCC=O CHEBI:87363 [1,0,0,0,0,0|0,0,0]=1 67 B6R0.4 CC(=O)NCCO CHEBI:74687 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.4 CC(=O)NCCS CHEBI:74410 [1,0,0,0,0,0|1,1,1]=4 69 B6R0.4 CC(=O)SCCN CHEBI:17853 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CC(=O)SCC[NH3+] CHEBI:58295 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.4 CC(C)CCC=O CHEBI:17998 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 CC(C)CCCO CHEBI:63910 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 CCCCC(=O)N CHEBI:16459 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.4 CCCCC(=O)O CHEBI:17418 [1,0,0,0,0,0|0,0,1]=2 75 B6R0.4 CCCCC(=O)[O-] CHEBI:31011 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.4 CCCOC(=O)C CHEBI:40116 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 CCNCC(=O)O CHEBI:15620 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.4 CC[NH2+]CC(=O)[O-] CHEBI:57440 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.4 CC\C=C/C(=O)O CHEBI:38367 [1,0,0,0,0,0|0,0,3]=4 80 B6R0.4 CC\C=C\C(=O)O CHEBI:35939 [1,0,0,0,0,0|0,0,3]=4 81 B6R0.4 CC\C=C\C(=O)O CHEBI:38366 [1,0,0,0,0,0|0,0,3]=4 82 B6R0.4 CSCCC(=O)O CHEBI:1438 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.4 CSCCC(=O)[O-] CHEBI:49016 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.4 C[S+](C)CCC=O CHEBI:74027 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.4 C\C=C/CC(=O)O CHEBI:38369 [1,0,0,0,0,0|0,0,1]=2 86 B6R0.4 C\C=C\CC(=O)O CHEBI:38368 [1,0,0,0,0,0|0,0,1]=2 87 B6R0.4 C\C=C\CC(=O)O CHEBI:38370 [1,0,0,0,0,0|0,0,1]=2 88 B6R0.4 [*]C(=O)NCCO CHEBI:85281 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.9 C(C(=O)NCC(=O)O)N CHEBI:17201 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.9 C(C(=O)NCC(=O)[O-])[NH3+] CHEBI:356445 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.9 C(CC(=O)O)C(=O)C=O CHEBI:17204 [0,1,0,0,0,0|0,0,1]=2 92 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:132969 [0,1,0,0,0,0|0,0,0]=1 93 B8R0.9 C(CC(=O)O)C(=O)CN CHEBI:17549 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.9 C(CC(=O)O)C(=O)C[NH3+] CHEBI:132970 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.9 C(CC(=O)O)C(C#N)N CHEBI:28474 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.9 C(CC(=O)O)[C@@H](C#N)N CHEBI:50614 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.9 C(CC(=O)O)[C@@H](C=O)N CHEBI:15757 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.9 C(CC(=O)O)[C@H](C#N)N CHEBI:50615 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.9 C(CC(=O)[O-])C(=O)C=O CHEBI:58055 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.9 C(CC(=O)[O-])C(=O)CN CHEBI:12109 [0,1,0,0,0,0|0,0,1]=2 101 B8R0.9 C(CC(=O)[O-])C(=O)C[NH3+] CHEBI:356416 [0,1,0,0,0,0|0,0,1]=2 102 B8R0.9 C(CC(=O)[O-])[C@@H](C=O)N CHEBI:11022 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.9 C(CC(=O)[O-])[C@@H](C=O)[NH3+] CHEBI:57501 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.9 C=CC(CCC(=O)O)N CHEBI:63638 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.9 CC(=O)NCC(=O)NC CHEBI:74101 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.9 CC(C)CCC(=NO)C CHEBI:131376 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.9 CCC(=O)NCC(=O)O CHEBI:89836 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.9 CCC(=O)NCC(=O)[O-] CHEBI:132936 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.9 COC(=O)CCC(=O)O CHEBI:75146 [0,1,0,0,0,0|0,0,0]=1 110 B8R0.23 C(=C(\C(=O)O)/O)/C(=O)O CHEBI:28394 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.23 C(=O)(C(=O)O)NC(=O)N CHEBI:16582 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.23 C(C(=N)C(=O)O)C(=O)O CHEBI:50616 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.23 C(C(=N)C(=O)[O-])C(=O)[O-] CHEBI:58831 [0,1,0,0,0,0|1,0,2]=4 114 B8R0.23 C(C(=O)C(=O)O)C(=O)N CHEBI:16327 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.23 C(C(=O)C(=O)O)C(=O)O CHEBI:30744 [0,1,0,0,0,0|1,0,1]=3 116 B8R0.23 C(C(=O)C(=O)O)P(=O)O CHEBI:18007 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 C(C(=O)C(=O)O)S(=O)O CHEBI:1665 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 C(C(=O)C(=O)[O-])C(=O)N CHEBI:57735 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.23 C(C(=O)C(=O)[O-])C(=O)[O-] CHEBI:16452 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.23 C(C(=O)O)(N)NC(=O)N CHEBI:16282 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.23 C(C(=O)O)(NC(=O)N)O CHEBI:49050 [0,1,0,0,0,0|2,0,0]=3 122 B8R0.23 C(C(=O)[O-])([NH3+])NC(=O)N CHEBI:57714 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.23 C(C(=[NH2+])C(=O)[O-])C(=O)[O-] CHEBI:77875 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.23 C(C(C(=O)N)N)C(=O)O CHEBI:49010 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.23 C(C(C(=O)O)Br)C(=O)O CHEBI:73712 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.23 C(C(C(=O)O)Cl)C(=O)O CHEBI:90244 [0,1,0,0,0,0|1,0,0]=2 127 B8R0.23 C(C(C(=O)O)N)C(=O)N CHEBI:22653 [0,1,0,0,0,0|1,0,0]=2 128 B8R0.23 C(C(C(=O)O)N)C(=O)O CHEBI:22660 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.23 C(C(C(=O)O)O)C(=O)O CHEBI:6650 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.23 C(C(C(=O)O)S)C(=O)O CHEBI:38705 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.23 C(C(C(=O)O)S)C(=O)[O-] CHEBI:38707 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.23 C(C(C(=O)O)[NH3+])C(=O)N CHEBI:32661 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.23 C(C(C(=O)O)[S-])C(=O)O CHEBI:38709 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.23 C(C(C(=O)[O-])Br)C(=O)[O-] CHEBI:73706 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.23 C(C(C(=O)[O-])N)C(=O)N CHEBI:32660 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] CHEBI:29995 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] CHEBI:15595 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.23 C(C(C(=O)[O-])S)C(=O)[O-] CHEBI:38712 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.23 C(C(C(=O)[O-])[NH3+])C(=O)[O-] CHEBI:35391 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.23 C(C(C(=O)[O-])[S-])C(=O)O CHEBI:38714 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.23 C(C(C(=O)[O-])[S-])C(=O)[O-] CHEBI:38715 [0,1,0,0,0,0|1,0,1]=3 142 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O CHEBI:21248 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CHEBI:17196 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CHEBI:17053 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.23 C([C@@H](C(=O)O)N)S(=O)=O CHEBI:41721 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O CHEBI:16345 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.23 C([C@@H](C(=O)O)N)[Se](=O)O CHEBI:28454 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O CHEBI:30797 [0,1,0,0,0,0|1,0,0]=2 149 B8R0.23 C([C@@H](C(=O)O)S)C(=O)O CHEBI:38720 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.23 C([C@@H](C(=O)O)[NH3+])C(=O)N CHEBI:32651 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)N CHEBI:32650 [0,1,0,0,0,0|1,0,1]=3 152 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)[O-] CHEBI:29993 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.23 C([C@@H](C(=O)[O-])N)S(=O)[O-] CHEBI:224037 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.23 C([C@@H](C(=O)[O-])O)C(=O)[O-] CHEBI:15589 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.23 C([C@@H](C(=O)[O-])O)C(=O)[O-] CHEBI:91261 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)N CHEBI:58048 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] CHEBI:29991 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])S(=O)[O-] CHEBI:61085 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.23 C([C@H](C(=O)N)N)C(=O)O CHEBI:49011 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.23 C([C@H](C(=O)O)N)C(=O)N CHEBI:28159 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CHEBI:17364 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.23 C([C@H](C(=O)O)O)C(=O)O CHEBI:30796 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.23 C([C@H](C(=O)O)S)C(=O)O CHEBI:38719 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.23 C([C@H](C(=O)O)[NH3+])C(=O)N CHEBI:32657 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.23 C([C@H](C(=O)[O-])N)C(=O)N CHEBI:32656 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.23 C([C@H](C(=O)[O-])N)C(=O)[O-] CHEBI:29994 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.23 C([C@H](C(=O)[O-])O)C(=O)[O-] CHEBI:15588 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.23 C([C@H](C(=O)[O-])O)C(=O)[O-] CHEBI:91262 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.23 C([C@H](C(=O)[O-])[NH3+])C(=O)N CHEBI:74337 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.23 C([C@H](C(=O)[O-])[NH3+])C(=O)[O-] CHEBI:29990 [0,1,0,0,0,0|1,0,1]=3 171 B8R0.23 C=C(CC(=O)O)C(=O)O CHEBI:30838 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.23 C=C(CC(=O)[O-])C(=O)[O-] CHEBI:17240 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.23 C=C(C[C@@H](C(=O)O)N)Cl CHEBI:15885 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.23 C=C(C[C@@H](C(=O)[O-])N)Cl CHEBI:32819 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.23 C=C(C[C@@H](C(=O)[O-])[NH3+])Cl CHEBI:57555 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.23 CC(=O)CC(=O)C(=O)O CHEBI:2424 [0,1,0,0,0,0|0,0,1]=2 177 B8R0.23 CC(=O)CC(=O)C(=O)[O-] CHEBI:15360 [0,1,0,0,0,0|0,0,2]=3 178 B8R0.23 CC(=O)CC(C(=O)O)N CHEBI:15914 [0,1,0,0,0,0|0,0,0]=1 179 B8R0.23 CC(=O)CC(C(=O)[O-])[NH3+] CHEBI:57563 [0,1,0,0,0,0|0,0,1]=2 180 B8R0.23 CC(C)C(=O)CC(=O)O CHEBI:29024 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.23 CC(C)C(CC(=O)O)N CHEBI:72772 [0,1,0,0,0,0|1,0,1]=3 182 B8R0.23 CC(C)CC(=O)C(=O)O CHEBI:48430 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.23 CC(C)CC(C(=O)O)N CHEBI:25017 [0,1,0,0,0,0|1,0,1]=3 184 B8R0.23 CC(C)CC(C(=O)O)O CHEBI:59783 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.23 CC(C)CC(C(=O)O)[NH3+] CHEBI:32628 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.23 CC(C)CC(C(=O)[O-])N CHEBI:32627 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.23 CC(C)CC(C(=O)[O-])O CHEBI:133577 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.23 CC(C)C[C@@H](C(=O)N)N CHEBI:21349 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.23 CC(C)C[C@@H](C(=O)O)N CHEBI:15603 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.23 CC(C)C[C@@H](C(=O)O)O CHEBI:44510 [0,1,0,0,0,0|1,0,1]=3 191 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH3+] CHEBI:32620 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.23 CC(C)C[C@@H](C(=O)[O-])N CHEBI:32619 [0,1,0,0,0,0|1,0,2]=4 193 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] CHEBI:57427 [0,1,0,0,0,0|1,0,2]=4 194 B8R0.23 CC(C)C[C@H](C(=O)O)N CHEBI:28225 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.23 CC(C)C[C@H](C(=O)O)O CHEBI:55534 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.23 CC(C)C[C@H](C(=O)O)[NH3+] CHEBI:32624 [0,1,0,0,0,0|1,0,1]=3 197 B8R0.23 CC(C)C[C@H](C(=O)[O-])N CHEBI:32623 [0,1,0,0,0,0|1,0,2]=4 198 B8R0.23 CC(C)C[C@H](C(=O)[O-])O CHEBI:55535 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.23 CC(C)[C@@H](CC(=O)O)N CHEBI:15604 [0,1,0,0,0,0|1,0,1]=3 200 B8R0.23 CC(C)[C@@H](CC(=O)[O-])[NH3+] CHEBI:57428 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.23 CC(C)[C@H](CC(=O)O)N CHEBI:86261 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.23 CC(CC(=O)C(=O)O)O CHEBI:17655 [0,1,0,0,0,0|0,0,3]=4 203 B8R0.23 CC(CC(=O)O)C(=O)O CHEBI:91315 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.23 CC(CC(C(=O)O)N)N CHEBI:904 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.23 CC(CC(C(=O)[O-])N)N CHEBI:16594 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.23 CC(CC(C(=O)[O-])[NH3+])[NH3+] CHEBI:58935 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.23 CN(C)CC(C(=O)O)N CHEBI:88163 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.23 CN(CC(=O)O)C(=N)N CHEBI:16919 [0,1,0,0,0,0|3,0,0]=4 209 B8R0.23 CN(CC(=O)O)C(=O)N CHEBI:15737 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.23 CN(CC(=O)[O-])C(=O)N CHEBI:57490 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.23 C[C@@H](C(=O)O)NC(=O)C CHEBI:40992 [0,1,0,0,0,0|1,0,0]=2 212 B8R0.23 C[C@@H](C(=O)[O-])NC(=O)C CHEBI:133520 [0,1,0,0,0,0|1,0,1]=3 213 B8R0.23 C[C@@H](CC(=O)C(=O)O)O CHEBI:73148 [0,1,0,0,0,0|0,0,3]=4 214 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CHEBI:91316 [0,1,0,0,0,0|1,0,0]=2 215 B8R0.23 C[C@@H](C[C@H](C(=O)O)N)N CHEBI:4280 [0,1,0,0,0,0|1,0,1]=3 216 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])N)N CHEBI:15601 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.23 C[C@@H](C[C@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:58697 [0,1,0,0,0,0|1,0,2]=4 218 B8R0.23 C[C@H](CC(=O)O)C(=O)O CHEBI:91317 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.23 C\C(=C/C(=O)O)\C(=O)O CHEBI:16600 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CHEBI:17626 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.23 [*][C@@H](C(=O)O)NC(=O)N CHEBI:51353 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.23 [*][C@@H](C(=O)[O-])NC(=O)[*] CHEBI:59874 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.23 [*][C@H](C(=O)O)NC(=O)[*] CHEBI:15778 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.23 [*][C@H](C(=O)[O-])NC(=O)[*] CHEBI:59876 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.23 [C@@H](C(=O)O)(NC(=O)N)O CHEBI:28785 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N CHEBI:59945 [0,1,0,0,0,0|2,0,0]=3 227 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O CHEBI:15412 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.23 [C@H](C(=O)[O-])(NC(=O)N)O CHEBI:57296 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.23 [C@H](C(=O)[O-])([NH3+])NC(=O)N CHEBI:59947 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.29 C(C(=O)O)OP(=O)(O)O CHEBI:17150 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.29 C(CS(=O)(=O)O)C(=O)O CHEBI:74031 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.29 CC(=O)COP(=O)(O)O CHEBI:15362 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.29 CC(=O)COP(=O)([O-])[O-] CHEBI:57290 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.29 CN(C)CCP(=O)(O)O CHEBI:7265 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CHEBI:28825 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.29 C[Si](C)(C)CCC(=O)O CHEBI:85487 [0,1,0,0,0,0|1,1,0]=3 237 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85363 [0,1,0,0,0,0|1,1,1]=4 238 B8R0.29 C[Si](C)(C)CCC(=O)[O-] CHEBI:85486 [0,1,0,0,0,0|1,1,1]=4 239 B8R1.3 C1C(=O)NCC(=O)N1 CHEBI:16535 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.3 C1CC(=O)CCC1=O CHEBI:28286 [0,0,0,1,0,0|1,0,0]=2 241 B6R0.2 C(=O)(N)NC(=O)N CHEBI:18138 [0,0,0,0,1,0|3,0,0]=4 242 B6R0.2 C(=O)(N)NC(=O)O CHEBI:9889 [0,0,0,0,1,0|2,0,0]=3 243 B6R0.2 C(=O)(N)NC(=O)[O-] CHEBI:15832 [0,0,0,0,1,0|2,0,1]=4 244 B6R0.2 C(=O)(O)OC(=O)O CHEBI:48501 [0,0,0,0,1,0|2,0,0]=3 245 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [0,0,0,0,1,0|1,0,0]=2 246 B6R0.2 C(C(=O)N)C(=O)[O-] CHEBI:49102 [0,0,0,0,1,0|1,0,1]=3 247 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [0,0,0,0,1,0|1,0,0]=2 248 B6R0.2 C(C(=O)O)C(=O)[O-] CHEBI:30795 [0,0,0,0,1,0|1,0,0]=2 249 B6R0.2 C(C(=O)[O-])C(=O)[O-] CHEBI:15792 [0,0,0,0,1,0|1,0,1]=3 250 B6R0.2 C(C(=O)[O-])C(=O)[O-] CHEBI:62983 [0,0,0,0,1,0|1,0,1]=3 251 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [0,0,0,0,1,0|0,0,2]=3 252 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [0,0,0,0,1,0|1,0,1]=3 253 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [0,0,0,0,1,0|1,0,0]=2 254 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [0,0,0,0,1,0|1,0,0]=2 255 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,0,0,0,1,0|0,0,0]=1 256 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [0,0,0,0,1,0|0,0,1]=2 257 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [0,0,0,0,1,0|2,0,0]=3 258 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [0,0,0,0,1,0|1,0,1]=3 259 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,0,0,0,1,0|1,0,1]=3 260 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,0,0,0,1,0|1,0,2]=4 261 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,0,0,0,1,0|1,0,1]=3 262 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,0,0,0,1,0|0,0,2]=3 263 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,0,0,0,1,0|1,0,2]=4 264 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,0,0,0,1,0|0,0,3]=4 265 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,0,0,0,1,0|0,0,3]=4 266 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,0,0,0,1,0|2,0,0]=3 267 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,0,0,0,1,0|0,0,2]=3 268 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,0,0,0,1,0|0,0,3]=4 269 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,0,0,0,1,0|0,0,2]=3 270 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,0,0,0,1,0|0,0,3]=4 271 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [0,0,0,0,1,0|2,0,1]=4 272 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,0,0,0,1,0|2,0,0]=3 273 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [0,0,0,0,1,0|2,0,1]=4 274 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [0,0,0,0,1,0|2,0,1]=4 275 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [0,0,0,0,1,0|2,0,1]=4 276 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [0,0,0,0,1,0|2,0,1]=4 277 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [0,0,0,0,1,0|1,0,1]=3 278 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,0,0,0,1,0|0,0,2]=3 279 B8R0.28 C(=C/NC(=O)N)/C(=O)O CHEBI:59890 [0,0,0,0,0,1|1,0,2]=4 280 B8R0.28 C(C(=O)O)NCC(=O)O CHEBI:24786 [0,0,0,0,0,1|1,0,0]=2 281 B8R0.28 C(C(=O)O)SCC(=O)O CHEBI:35012 [0,0,0,0,0,1|1,0,0]=2 282 B8R0.28 C(C(=O)[O-])NCC(=O)[O-] CHEBI:24785 [0,0,0,0,0,1|1,0,1]=3 283 B8R0.28 C(C(=O)[O-])[NH2+]CC(=O)[O-] CHEBI:62745 [0,0,0,0,0,1|1,0,1]=3 284 B8R0.28 C(CC(=O)N)CC(=O)O CHEBI:24326 [0,0,0,0,0,1|1,0,0]=2 285 B8R0.28 C(CC(=O)N)CC(=O)[O-] CHEBI:35908 [0,0,0,0,0,1|1,0,1]=3 286 B8R0.28 C(CC(=O)O)CC(=O)O CHEBI:17859 [0,0,0,0,0,1|1,0,0]=2 287 B8R0.28 C(CC(=O)O)CC(=O)[O-] CHEBI:35907 [0,0,0,0,0,1|1,0,0]=2 288 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] CHEBI:30921 [0,0,0,0,0,1|1,0,1]=3 289 B8R0.28 C(CNC(=N)N)C(=O)O CHEBI:15968 [0,0,0,0,0,1|2,0,0]=3 290 B8R0.28 C(CNC(=O)N)C(=O)O CHEBI:18261 [0,0,0,0,0,1|1,0,0]=2 291 B8R0.28 C(CNC(=O)N)C(=O)[O-] CHEBI:11892 [0,0,0,0,0,1|1,0,1]=3 292 B8R0.28 C(CNC(=O)O)C(=O)O CHEBI:21694 [0,0,0,0,0,1|1,0,0]=2 293 B8R0.28 C(CNC(=[NH2+])N)C(=O)[O-] CHEBI:57593 [0,0,0,0,0,1|2,0,1]=4 294 B8R0.28 C(CS(=O)O)NC(=N)N CHEBI:16209 [0,0,0,0,0,1|3,0,0]=4 295 B8R0.28 C(NC(=O)N)NC(=O)N CHEBI:10790 [0,0,0,0,0,1|3,0,0]=4 296 B8R0.28 C(NC(=O)N)NC(=O)O CHEBI:15569 [0,0,0,0,0,1|2,0,0]=3 297 B8R0.28 C(NC(=O)N)NC(=O)[O-] CHEBI:57415 [0,0,0,0,0,1|2,0,1]=4 298 B8R0.28 C(\C=C/C(=O)O)C(=O)O CHEBI:50429 [0,0,0,0,0,1|1,0,1]=3 299 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:15670 [0,0,0,0,0,1|1,0,1]=3 300 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:24309 [0,0,0,0,0,1|1,0,1]=3 301 B8R0.28 C(\C=C\C(=O)[O-])C(=O)[O-] CHEBI:36134 [0,0,0,0,0,1|1,0,2]=4 302 B8R0.28 C(\C=C\C(=O)[O-])C(=O)[O-] CHEBI:36460 [0,0,0,0,0,1|1,0,2]=4 303 B8R0.28 CC(=CCCC(=O)C)C CHEBI:16310 [0,0,0,0,0,1|2,0,0]=3 304 B8R0.28 CC(=O)CCCC(=O)O CHEBI:15888 [0,0,0,0,0,1|0,0,0]=1 305 B8R0.28 CC(=O)CCCC(=O)[O-] CHEBI:12154 [0,0,0,0,0,1|0,0,1]=2 306 B8R0.28 CC(=O)CCOC(=O)C CHEBI:87390 [0,0,0,0,0,1|1,0,0]=2 307 B8R0.28 CC(=O)NCCC(=O)O CHEBI:16682 [0,0,0,0,0,1|0,0,0]=1 308 B8R0.28 CC(=O)NCCC(=O)[O-] CHEBI:57857 [0,0,0,0,0,1|0,0,1]=2 309 B8R0.28 CC(=O)O[Hg]OC(=O)C CHEBI:33211 [0,0,0,0,0,1|3,0,0]=4 310 B8R0.28 CC(C)CCOC(=O)C CHEBI:31725 [0,0,0,0,0,1|2,0,1]=4 311 B8R0.28 CC(CCC=C(C)C)O CHEBI:15833 [0,0,0,0,0,1|2,0,1]=4 312 B8R0.28 CC(CCCC(=O)O)O CHEBI:131434 [0,0,0,0,0,1|0,0,2]=3 313 B8R0.28 CC(CCCC(=O)[O-])O CHEBI:132985 [0,0,0,0,0,1|0,0,3]=4 314 B8R0.28 C[C@H](CCCC(=O)O)O CHEBI:78842 [0,0,0,0,0,1|0,0,2]=3 315 B5R0.1 C#CCC(=O)O CHEBI:1461 [2,0,0,0,0,0|0,0,2]=4 316 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.1 C(=C\Cl)/C(=O)O CHEBI:19982 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [2,0,0,0,0,0|1,0,1]=4 319 B5R0.1 C(C(=O)O)NO CHEBI:38049 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [2,0,0,0,0,0|0,0,0]=2 321 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [2,0,0,0,0,0|0,0,1]=3 322 B5R0.1 C(CN)C(=O)N CHEBI:55360 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 C(CN)C(=O)O CHEBI:16958 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.1 C(CO)C(=O)O CHEBI:33404 [2,0,0,0,0,0|0,0,1]=3 326 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [2,0,0,0,0,0|1,0,0]=3 327 B5R0.1 C(CS(=O)O)N CHEBI:16668 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 C(CS)C(=O)O CHEBI:44111 [2,0,0,0,0,0|0,1,0]=3 329 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [2,0,0,0,0,0|0,1,1]=4 330 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.1 C(NC(=O)N)O CHEBI:16481 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 C=CCC(=O)O CHEBI:35897 [2,0,0,0,0,0|0,0,1]=3 334 B5R0.1 C=CCC(=O)[O-] CHEBI:35900 [2,0,0,0,0,0|0,0,2]=4 335 B5R0.1 CC(=C)CCO CHEBI:62898 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.1 CC(=CC=O)C CHEBI:15825 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.1 CC(=CCO)C CHEBI:16019 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CC(=O)CC=C CHEBI:87508 [2,0,0,0,0,0|0,0,1]=3 339 B5R0.1 CC(=O)CCO CHEBI:41268 [2,0,0,0,0,0|0,0,0]=2 340 B5R0.1 CC(=O)OC=C CHEBI:46916 [2,0,0,0,0,0|1,0,1]=4 341 B5R0.1 CC(C)CC=O CHEBI:16638 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.1 CC(C)CCO CHEBI:15837 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.1 CC(CCO)O CHEBI:52683 [2,0,0,0,0,0|0,0,2]=4 344 B5R0.1 CC=CC(=O)C CHEBI:89540 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.1 CCCC(=O)C CHEBI:16472 [2,0,0,0,0,0|0,0,1]=3 346 B5R0.1 CCCC(=O)N CHEBI:50724 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.1 CCCC(=O)O CHEBI:30772 [2,0,0,0,0,0|0,0,0]=2 348 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [2,0,0,0,0,0|0,0,1]=3 349 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [2,0,0,0,0,0|0,0,1]=3 350 B5R0.1 CCCC(C)O CHEBI:77518 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.1 CCNC(=O)C CHEBI:87370 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.1 CCOC(=O)C CHEBI:27750 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.1 CCOC(=O)N CHEBI:17967 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CCOC(=O)O CHEBI:50849 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.1 CCOP(=O)O CHEBI:40926 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 CN(C)CCO CHEBI:271436 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.1 CNCC(=O)O CHEBI:15611 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.1 COCC(=O)O CHEBI:132098 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.1 COCC(=O)[O-] CHEBI:132096 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.1 COCC(=O)[O-] CHEBI:132097 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.1 CSCC(=O)O CHEBI:47870 [2,0,0,0,0,0|1,0,0]=3 364 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [2,0,0,0,0,0|0,0,2]=4 366 B5R0.1 C[C@H](CCO)O CHEBI:52687 [2,0,0,0,0,0|0,0,2]=4 367 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.1 C[S+](C)CCO CHEBI:63035 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [2,0,0,0,0,0|0,0,1]=3 371 B5R0.1 C\C=C/C(=O)[O-] CHEBI:36254 [2,0,0,0,0,0|0,0,2]=4 372 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [2,0,0,0,0,0|0,0,1]=3 373 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [2,0,0,0,0,0|0,0,1]=3 374 B5R0.1 C\C=C\C(=O)[O-] CHEBI:35899 [2,0,0,0,0,0|0,0,2]=4 375 B5R0.1 C\C=C\C(=O)[O-] CHEBI:36258 [2,0,0,0,0,0|0,0,2]=4 376 B5R0.1 [*]C(=O)OCC CHEBI:13209 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.2 C(=C/C=O)/C=O CHEBI:38126 [2,0,0,0,0,0|0,0,2]=4 378 B5R0.2 C(=C\C=O)/C=O CHEBI:38123 [2,0,0,0,0,0|0,0,2]=4 379 B5R0.2 C(=C\C=O)/C=O CHEBI:39827 [2,0,0,0,0,0|0,0,2]=4 380 B5R0.2 C(CC=O)CN CHEBI:17769 [2,0,0,0,0,0|1,0,1]=4 381 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.2 CCCCC=C CHEBI:24579 [2,0,0,0,0,0|1,0,1]=4 383 B5R0.2 CCCCC=O CHEBI:84069 [2,0,0,0,0,0|0,0,1]=3 384 B5R0.2 CCCCCO CHEBI:44884 [2,0,0,0,0,0|0,0,2]=4 385 B5R0.2 CSCCC=O CHEBI:49017 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.2 CSCCCO CHEBI:49019 [2,0,0,0,0,0|1,0,1]=4 387 B7R0.2 C(C(=O)O)N(C=O)O CHEBI:43040 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.2 C(C(CN)O)C(=O)O CHEBI:16080 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.2 C(C(CO)O)C(=O)O CHEBI:86371 [1,1,0,0,0,0|0,0,2]=4 390 B7R0.2 C([C@H](CO)N)C(=O)O CHEBI:41011 [1,1,0,0,0,0|0,0,2]=4 391 B7R0.2 CC(C=O)OC(=O)C CHEBI:87544 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [1,1,0,0,0,0|0,0,2]=4 393 B7R0.2 CN(CC(=O)O)N=O CHEBI:82363 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.3 CCC(=O)\C=C\C=O CHEBI:76721 [1,1,0,0,0,0|0,0,2]=4 395 B7R0.3 CCCCC(=O)C=C CHEBI:87567 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.3 CCCCC(=O)CC CHEBI:50139 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.3 CCOCC(=O)CO CHEBI:37552 [1,1,0,0,0,0|1,0,1]=4 398 B7R0.3 COC(=O)CCCN CHEBI:42955 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.4 C#CCCCC(=O)O CHEBI:73511 [1,1,0,0,0,0|0,0,2]=4 400 B7R0.4 C(C#N)NCC(=O)O CHEBI:71209 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.4 C(CC=O)CC(=O)O CHEBI:39153 [1,1,0,0,0,0|0,0,0]=2 402 B7R0.4 C(CC=O)CC(=O)[O-] CHEBI:16120 [1,1,0,0,0,0|0,0,1]=3 403 B7R0.4 C(CCCl)CC(=O)O CHEBI:60701 [1,1,0,0,0,0|0,0,1]=3 404 B7R0.4 C(CCN)CC(=O)N CHEBI:18120 [1,1,0,0,0,0|1,0,1]=4 405 B7R0.4 C(CCN)CC(=O)O CHEBI:15887 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.4 C(CCN)CC(=O)[O-] CHEBI:86394 [1,1,0,0,0,0|0,0,2]=4 407 B7R0.4 C(CCO)CC(=O)O CHEBI:45564 [1,1,0,0,0,0|0,0,1]=3 408 B7R0.4 C(CCO)CC(=O)[O-] CHEBI:16230 [1,1,0,0,0,0|0,0,2]=4 409 B7R0.4 C(CC[NH3+])CC(=O)N CHEBI:58382 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.4 C(CC[NH3+])CC(=O)[O-] CHEBI:356010 [1,1,0,0,0,0|0,0,2]=4 411 B7R0.4 CC(=O)NCCC=O CHEBI:30322 [1,1,0,0,0,0|0,0,0]=2 412 B7R0.4 CC(=O)NCCCN CHEBI:35414 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.4 CC(=O)NCCC[NH3+] CHEBI:70988 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.4 CC(C)CCOC=O CHEBI:31726 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.4 CCCCCC(=O)C CHEBI:5672 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.4 CCCCCC(=O)O CHEBI:30776 [1,1,0,0,0,0|0,0,1]=3 417 B7R0.4 CCCCCC(=O)[O-] CHEBI:114126 [1,1,0,0,0,0|0,0,2]=4 418 B7R0.4 CCCCCC(=O)[O-] CHEBI:17120 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.4 CCCCOC(=O)C CHEBI:31328 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,1,0,0,0,0|0,0,2]=4 421 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,1,0,0,0,0|0,0,2]=4 422 B7R0.4 CC\C=C/CC(=O)O CHEBI:49284 [1,1,0,0,0,0|0,0,1]=3 423 B7R0.4 CC\C=C\CC(=O)C CHEBI:87582 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.4 CC\C=C\CC(=O)O CHEBI:49283 [1,1,0,0,0,0|0,0,1]=3 425 B7R0.4 CC\C=C\CC(=O)O CHEBI:49285 [1,1,0,0,0,0|0,0,1]=3 426 B7R0.4 CNCCCC(=O)O CHEBI:37755 [1,1,0,0,0,0|0,0,1]=3 427 B7R0.4 CNCCCC(=O)[O-] CHEBI:20441 [1,1,0,0,0,0|0,0,2]=4 428 B7R0.4 C[NH2+]CCCC(=O)[O-] CHEBI:66882 [1,1,0,0,0,0|0,0,2]=4 429 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [1,1,0,0,0,0|0,0,2]=4 430 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,1,0,0,0,0|0,0,2]=4 431 B7R0.4 C\C=C/CCC(=O)O CHEBI:38357 [1,1,0,0,0,0|0,0,0]=2 432 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,1,0,0,0,0|0,0,2]=4 433 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,1,0,0,0,0|0,0,2]=4 434 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,1,0,0,0,0|0,0,2]=4 435 B7R0.4 C\C=C\CCC(=O)O CHEBI:38355 [1,1,0,0,0,0|0,0,0]=2 436 B7R0.4 C\C=C\CCC(=O)O CHEBI:38356 [1,1,0,0,0,0|0,0,0]=2 437 B7R0.5 C(C#N)C(C(=O)O)N CHEBI:132546 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.5 C(C#N)[C@@H](C(=O)O)N CHEBI:16934 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.5 C(C=O)[C@@H](C(=O)O)N CHEBI:18051 [1,1,0,0,0,0|0,0,0]=2 440 B7R0.5 C(C=O)[C@@H](C(=O)[O-])N CHEBI:13086 [1,1,0,0,0,0|0,0,1]=3 441 B7R0.5 C(C=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:537519 [1,1,0,0,0,0|0,0,1]=3 442 B7R0.5 C(CN)C(C(=O)O)N CHEBI:64307 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.5 C(CN)[C@@H](C(=O)O)N CHEBI:48950 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.5 C(CO)C(C(=O)O)N CHEBI:30653 [1,1,0,0,0,0|0,0,2]=4 445 B7R0.5 C(CO)C(C(=O)O)O CHEBI:86348 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.5 C(CO)C(C(=O)[O-])N CHEBI:62980 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.5 C(CO)[C@@H](C(=O)O)N CHEBI:15699 [1,1,0,0,0,0|0,0,2]=4 448 B7R0.5 C(CO)[C@@H](C(=O)[O-])[NH3+] CHEBI:57476 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.5 C(CO)[C@H](C(=O)O)N CHEBI:30654 [1,1,0,0,0,0|0,0,2]=4 450 B7R0.5 C(CS)C(C(=O)O)N CHEBI:17230 [1,1,0,0,0,0|0,1,1]=4 451 B7R0.5 C(CS)[C@@H](C(=O)O)N CHEBI:17588 [1,1,0,0,0,0|0,1,1]=4 452 B7R0.5 C(C[SeH])[C@@H](C(=O)O)N CHEBI:9096 [1,1,0,0,0,0|0,1,1]=4 453 B7R0.5 C([C@@H](C(=O)O)N)S=O CHEBI:41630 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.5 C([C@@H](C(=O)O)N)SO CHEBI:41710 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.5 C([C@@H](C(=O)O)N)SS CHEBI:28839 [1,1,0,0,0,0|1,1,0]=4 456 B7R0.5 C=CCC(=O)C(=O)O CHEBI:37318 [1,1,0,0,0,0|0,0,2]=4 457 B7R0.5 CCCC(=O)C(=O)O CHEBI:33033 [1,1,0,0,0,0|0,0,2]=4 458 B7R0.5 CCCC(C(=O)O)N CHEBI:19475 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.5 CCCC(C(=O)O)O CHEBI:60647 [1,1,0,0,0,0|0,0,1]=3 460 B7R0.5 CCCC(C(=O)[O-])O CHEBI:60630 [1,1,0,0,0,0|0,0,2]=4 461 B7R0.5 CCC[C@@H](C(=O)O)N CHEBI:18314 [1,1,0,0,0,0|0,0,1]=3 462 B7R0.5 CCC[C@@H](C(=O)[O-])[NH3+] CHEBI:58441 [1,1,0,0,0,0|0,0,2]=4 463 B7R0.5 CCC[C@H](C(=O)O)N CHEBI:28804 [1,1,0,0,0,0|0,0,1]=3 464 B7R0.5 CNC[C@@H](C(=O)O)N CHEBI:73169 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.5 COC[C@@H](C(=O)O)N CHEBI:74798 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.5 CSC[C@@H](C(=O)O)N CHEBI:45658 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.5 CSC[C@@H](C(=O)[O-])[NH3+] CHEBI:133545 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.5 C[Se]CC(C(=O)O)N CHEBI:9068 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.5 C[Se]CC(C(=O)O)[NH3+] CHEBI:53132 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.5 C[Se]CC(C(=O)[O-])N CHEBI:53128 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.5 C[Se]C[C@@H](C(=O)O)N CHEBI:27812 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.5 C[Se]C[C@@H](C(=O)O)[NH3+] CHEBI:53130 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.5 C[Se]C[C@@H](C(=O)[O-])N CHEBI:53126 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.5 C[Se]C[C@@H](C(=O)[O-])[NH3+] CHEBI:58531 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.5 C[Se]C[C@H](C(=O)O)N CHEBI:53125 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.5 C[Se]C[C@H](C(=O)O)[NH3+] CHEBI:53131 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.5 C[Se]C[C@H](C(=O)[O-])N CHEBI:53129 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.8 CCCCP(=O)(O)O CHEBI:41384 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.8 CCCCS(=O)(=O)O CHEBI:61958 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.8 CNCCP(=O)(O)O CHEBI:7328 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.8 CSCCS(=O)(=O)O CHEBI:17827 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.9 C(C(=O)O)P(=O)(O)O CHEBI:15732 [0,1,0,0,1,0|2,0,0]=4 483 B7R0.9 C(C(=O)O)S(=O)(=O)O CHEBI:50519 [0,1,0,0,1,0|2,0,0]=4 484 B7R0.9 C(C(=O)O)[As](=O)(O)O CHEBI:28506 [0,1,0,0,1,0|2,0,0]=4 485 B7R0.9 C(C(=O)[O-])P(=O)(O)[O-] CHEBI:57488 [0,1,0,0,1,0|2,0,0]=4 486 B7R0.9 C(C(=O)[O-])[As](=O)(O)O CHEBI:63474 [0,1,0,0,1,0|2,0,0]=4 487 B7R0.9 CC(=O)CC(C)(C)O CHEBI:55381 [0,1,0,0,1,0|1,0,1]=4 488 B7R0.9 CC(=O)OP(=O)(O)O CHEBI:15350 [0,1,0,0,1,0|2,0,0]=4 489 B7R0.9 CC(=O)OP(=O)(O)[O-] CHEBI:13711 [0,1,0,0,1,0|2,0,0]=4 490 B7R0.9 CC(=O)OS(=O)(=O)O CHEBI:48979 [0,1,0,0,1,0|2,0,0]=4 491 B7R0.9 CC(C)(C)CC(=O)O CHEBI:38647 [0,1,0,0,1,0|1,0,1]=4 492 B7R0.9 CC(C)(CC(=O)O)O CHEBI:37084 [0,1,0,0,1,0|0,0,2]=4 493 B7R0.9 C[N+](C)(C)CC(=O)O CHEBI:41139 [0,1,0,0,1,0|2,0,0]=4 494 B7R0.16 C(=O)(C(=O)O)C(=O)O CHEBI:30842 [0,1,0,0,1,0|1,0,1]=4 495 B7R0.16 C(=O)(C(=O)O)C(=O)[O-] CHEBI:30843 [0,1,0,0,1,0|1,0,1]=4 496 B7R0.16 C(C(=O)O)(C(=O)O)N CHEBI:17475 [0,1,0,0,1,0|1,0,0]=3 497 B7R0.16 C(C(=O)O)(C(=O)O)O CHEBI:16513 [0,1,0,0,1,0|1,0,0]=3 498 B7R0.16 C(C(=O)O)(C(=O)[O-])O CHEBI:30844 [0,1,0,0,1,0|1,0,0]=3 499 B7R0.16 C(C(=O)[O-])(C(=O)[O-])O CHEBI:17649 [0,1,0,0,1,0|1,0,1]=4 500 B7R0.16 C(C(=O)[O-])(C(=O)[O-])[NH3+] CHEBI:58158 [0,1,0,0,1,0|1,0,1]=4 501 B7R0.16 CC(=C(C(=O)O)O)C CHEBI:132177 [0,1,0,0,1,0|1,0,1]=4 502 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [0,1,0,0,1,0|0,0,0]=2 503 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [0,1,0,0,1,0|0,0,0]=2 504 B7R0.16 CC(=O)[C@@H](C(=O)[O-])N CHEBI:16944 [0,1,0,0,1,0|0,0,1]=3 505 B7R0.16 CC(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:78948 [0,1,0,0,1,0|0,0,1]=3 506 B7R0.16 CC(C(=O)C)C(=O)O CHEBI:37079 [0,1,0,0,1,0|0,0,0]=2 507 B7R0.16 CC(C(=O)C)C(=O)[O-] CHEBI:19680 [0,1,0,0,1,0|0,0,1]=3 508 B7R0.16 CC(C(=O)O)C(=O)O CHEBI:30860 [0,1,0,0,1,0|1,0,0]=3 509 B7R0.16 CC(C(=O)O)C(=O)[O-] CHEBI:30861 [0,1,0,0,1,0|1,0,0]=3 510 B7R0.16 CC(C(=O)[O-])C(=O)[O-] CHEBI:17453 [0,1,0,0,1,0|1,0,1]=4 511 B7R0.16 CC(C(C(=O)O)N)O CHEBI:38263 [0,1,0,0,1,0|0,0,2]=4 512 B7R0.16 CC(C(C(=O)O)O)O CHEBI:86347 [0,1,0,0,1,0|0,0,2]=4 513 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [0,1,0,0,1,0|0,0,2]=4 514 B7R0.16 CC(C)C(C(=O)O)N CHEBI:27266 [0,1,0,0,1,0|1,0,1]=4 515 B7R0.16 CC(C)C(C(=O)O)O CHEBI:60645 [0,1,0,0,1,0|1,0,1]=4 516 B7R0.16 CC(C)C(C(=O)O)[NH3+] CHEBI:32860 [0,1,0,0,1,0|1,0,1]=4 517 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [0,1,0,0,1,0|1,0,1]=4 518 B7R0.16 CC(C)[C@@H](C(=O)O)N CHEBI:16414 [0,1,0,0,1,0|1,0,1]=4 519 B7R0.16 CC(C)[C@@H](C(=O)O)O CHEBI:60631 [0,1,0,0,1,0|1,0,1]=4 520 B7R0.16 CC(C)[C@@H](C(=O)O)[NH3+] CHEBI:32852 [0,1,0,0,1,0|1,0,1]=4 521 B7R0.16 CC(C)[C@H](C(=O)O)N CHEBI:27477 [0,1,0,0,1,0|1,0,1]=4 522 B7R0.16 CC(C)[C@H](C(=O)O)O CHEBI:46415 [0,1,0,0,1,0|1,0,1]=4 523 B7R0.16 CC(C)[C@H](C(=O)O)[NH3+] CHEBI:32856 [0,1,0,0,1,0|1,0,1]=4 524 B7R0.16 C[C@@H](C(=O)O)N(C)C CHEBI:77042 [0,1,0,0,1,0|2,0,0]=4 525 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [0,1,0,0,1,0|1,0,1]=4 526 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O CHEBI:28718 [0,1,0,0,1,0|0,0,2]=4 527 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O CHEBI:16398 [0,1,0,0,1,0|0,0,2]=4 528 B7R0.16 C[C@@H]([C@H](C(=O)O)[NH3+])O CHEBI:32828 [0,1,0,0,1,0|0,0,2]=4 529 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [0,1,0,0,1,0|0,0,2]=4 530 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [0,1,0,0,1,0|1,0,1]=4 531 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CHEBI:16857 [0,1,0,0,1,0|0,0,2]=4 532 B7R0.16 C[C@H]([C@@H](C(=O)O)O)O CHEBI:86391 [0,1,0,0,1,0|0,0,2]=4 533 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH3+])O CHEBI:32822 [0,1,0,0,1,0|0,0,2]=4 534 B7R0.16 C[C@H]([C@H](C(=O)O)N)O CHEBI:32826 [0,1,0,0,1,0|0,0,2]=4 535 B7R0.16 [13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2] CHEBI:87977 [0,1,0,0,1,0|1,0,1]=4 536 B9R0.1 COC(=O)CCCC(=O)O CHEBI:86396 [0,1,0,0,0,1|0,0,0]=2 537 B9R0.7 C(C(=O)O)NC(=O)C(=O)O CHEBI:44482 [0,1,0,0,0,1|1,0,1]=4 538 B9R0.7 C(CC(=O)N)C(=O)C(=O)O CHEBI:30882 [0,1,0,0,0,1|1,0,0]=3 539 B9R0.7 C(CC(=O)N)C(=O)C(=O)[O-] CHEBI:16769 [0,1,0,0,0,1|1,0,1]=4 540 B9R0.7 C(CC(=O)N)C(C(=O)O)N CHEBI:28300 [0,1,0,0,0,1|1,0,0]=3 541 B9R0.7 C(CC(=O)N)C(C(=O)O)[NH3+] CHEBI:32679 [0,1,0,0,0,1|1,0,0]=3 542 B9R0.7 C(CC(=O)N)C(C(=O)[O-])N CHEBI:32678 [0,1,0,0,0,1|1,0,1]=4 543 B9R0.7 C(CC(=O)N)[C@@H](C(=O)N)N CHEBI:21309 [0,1,0,0,0,1|2,0,0]=4 544 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CHEBI:18050 [0,1,0,0,0,1|1,0,0]=3 545 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)[NH3+] CHEBI:32666 [0,1,0,0,0,1|1,0,0]=3 546 B9R0.7 C(CC(=O)N)[C@@H](C(=O)[O-])N CHEBI:32665 [0,1,0,0,0,1|1,0,1]=4 547 B9R0.7 C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] CHEBI:58359 [0,1,0,0,0,1|1,0,1]=4 548 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N CHEBI:17061 [0,1,0,0,0,1|1,0,0]=3 549 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)[NH3+] CHEBI:32673 [0,1,0,0,0,1|1,0,0]=3 550 B9R0.7 C(CC(=O)N)[C@H](C(=O)[O-])N CHEBI:32672 [0,1,0,0,0,1|1,0,1]=4 551 B9R0.7 C(CC(=O)N)[C@H](C(=O)[O-])[NH3+] CHEBI:58000 [0,1,0,0,0,1|1,0,1]=4 552 B9R0.7 C(CC(=O)O)C(=O)C(=O)N CHEBI:30883 [0,1,0,0,0,1|1,0,0]=3 553 B9R0.7 C(CC(=O)O)C(=O)C(=O)O CHEBI:30915 [0,1,0,0,0,1|1,0,0]=3 554 B9R0.7 C(CC(=O)O)C(=O)C(=O)[O-] CHEBI:30916 [0,1,0,0,0,1|1,0,0]=3 555 B9R0.7 C(CC(=O)O)C(C(=O)O)N CHEBI:18237 [0,1,0,0,0,1|1,0,0]=3 556 B9R0.7 C(CC(=O)O)C(C(=O)O)N CHEBI:53373 [0,1,0,0,0,1|1,0,0]=3 557 B9R0.7 C(CC(=O)O)C(C(=O)O)O CHEBI:17084 [0,1,0,0,0,1|1,0,0]=3 558 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CHEBI:16015 [0,1,0,0,0,1|1,0,0]=3 559 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CHEBI:53374 [0,1,0,0,0,1|1,0,0]=3 560 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)O CHEBI:32797 [0,1,0,0,0,1|1,0,0]=3 561 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N CHEBI:15966 [0,1,0,0,0,1|1,0,0]=3 562 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N CHEBI:53375 [0,1,0,0,0,1|1,0,0]=3 563 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)O CHEBI:32796 [0,1,0,0,0,1|1,0,0]=3 564 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)N CHEBI:27467 [0,1,0,0,0,1|1,0,1]=4 565 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] CHEBI:16810 [0,1,0,0,0,1|1,0,1]=4 566 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N CHEBI:29987 [0,1,0,0,0,1|1,0,1]=4 567 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O CHEBI:11596 [0,1,0,0,0,1|1,0,1]=4 568 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O CHEBI:36149 [0,1,0,0,0,1|1,0,1]=4 569 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])[NH3+] CHEBI:14321 [0,1,0,0,0,1|1,0,1]=4 570 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])[NH3+] CHEBI:64220 [0,1,0,0,0,1|1,0,1]=4 571 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])N CHEBI:29988 [0,1,0,0,0,1|1,0,1]=4 572 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])N CHEBI:91250 [0,1,0,0,0,1|1,0,1]=4 573 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])O CHEBI:16782 [0,1,0,0,0,1|1,0,1]=4 574 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CHEBI:29985 [0,1,0,0,0,1|1,0,1]=4 575 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CHEBI:64243 [0,1,0,0,0,1|1,0,1]=4 576 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])N CHEBI:29989 [0,1,0,0,0,1|1,0,1]=4 577 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])O CHEBI:15801 [0,1,0,0,0,1|1,0,1]=4 578 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])[NH3+] CHEBI:29986 [0,1,0,0,0,1|1,0,1]=4 579 B9R0.7 C(CC(=O)[O-])[C@H](C(=O)[O-])[NH3+] CHEBI:64244 [0,1,0,0,0,1|1,0,1]=4 580 B9R0.7 C([C@@H](C(=O)O)N)OC(=O)N CHEBI:15970 [0,1,0,0,0,1|1,0,0]=3 581 B9R0.7 C([C@@H](C(=O)[O-])[NH3+])OC(=O)N CHEBI:57594 [0,1,0,0,0,1|1,0,1]=4 582 B9R0.7 C=C(CCC(=O)O)C(=O)O CHEBI:17207 [0,1,0,0,0,1|1,0,0]=3 583 B9R0.7 C=C(CCC(=O)[O-])C(=O)[O-] CHEBI:58056 [0,1,0,0,0,1|1,0,1]=4 584 B9R0.7 CC(=O)CCC(C(=O)O)N CHEBI:19450 [0,1,0,0,0,1|0,0,0]=2 585 B9R0.7 CC(=O)CCC(C(=O)[O-])N CHEBI:1010 [0,1,0,0,0,1|0,0,1]=3 586 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N CHEBI:17981 [0,1,0,0,0,1|0,0,0]=2 587 B9R0.7 CC(=O)OC[C@@H](C(=O)[O-])[NH3+] CHEBI:58340 [0,1,0,0,0,1|0,0,1]=3 588 B9R0.7 CC(CCC(=O)O)C(=O)O CHEBI:68567 [0,1,0,0,0,1|1,0,0]=3 589 B9R0.7 CC(CCC(=O)[O-])C(=O)[O-] CHEBI:84980 [0,1,0,0,0,1|1,0,1]=4 590 B9R0.7 CC(CCC(C(=O)O)N)N CHEBI:16926 [0,1,0,0,0,1|1,0,1]=4 591 B9R0.7 CC(CNC(=O)N)C(=O)O CHEBI:1670 [0,1,0,0,0,1|1,0,0]=3 592 B9R0.7 CC(CNC(=O)N)C(=O)[O-] CHEBI:74414 [0,1,0,0,0,1|1,0,1]=4 593 B9R0.7 CS(=O)CCC(C(=O)O)N CHEBI:49033 [0,1,0,0,0,1|1,0,0]=3 594 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N CHEBI:17016 [0,1,0,0,0,1|1,0,0]=3 595 B9R0.7 CS(=O)CC[C@H](C(=O)O)N CHEBI:49034 [0,1,0,0,0,1|1,0,0]=3 596 B9R0.7 C[C@H](C(=O)O)NCC(=O)O CHEBI:16439 [0,1,0,0,0,1|1,0,0]=3 597 B9R0.7 C[C@H](C(=O)[O-])[NH2+]CC(=O)[O-] CHEBI:57773 [0,1,0,0,0,1|1,0,1]=4 598 B9R0.7 C[S+](C)CC[C@@H](C(=O)O)N CHEBI:17728 [0,1,0,0,0,1|2,0,0]=4 599 B9R0.7 C[S@@](=O)CC[C@@H](C(=O)O)N CHEBI:49032 [0,1,0,0,0,1|1,0,0]=3 600 B9R0.7 C[S@@](=O)CC[C@@H](C(=O)[O-])[NH3+] CHEBI:58773 [0,1,0,0,0,1|1,0,1]=4 601 B9R0.7 C[S@@](=O)CC[C@H](C(=O)O)N CHEBI:49035 [0,1,0,0,0,1|1,0,0]=3 602 B9R0.7 C[S@](=O)CC[C@@H](C(=O)O)N CHEBI:49031 [0,1,0,0,0,1|1,0,0]=3 603 B9R0.7 C[S@](=O)CC[C@@H](C(=O)[O-])[NH3+] CHEBI:58772 [0,1,0,0,0,1|1,0,1]=4 604 B9R0.7 C[S@](=O)CC[C@H](C(=O)O)N CHEBI:49036 [0,1,0,0,0,1|1,0,0]=3 605 B9R0.53 C(C(=O)NC(=O)N)C(=O)O CHEBI:49049 [0,1,0,0,0,1|1,0,1]=4 606 B9R0.53 C(C(CC(=O)O)N)C(=O)O CHEBI:28791 [0,1,0,0,0,1|1,0,0]=3 607 B9R0.53 C(C(CC(=O)[O-])[NH3+])C(=O)[O-] CHEBI:66948 [0,1,0,0,0,1|1,0,1]=4 608 B9R0.53 CC(=O)CC(=O)CC(=O)O CHEBI:16558 [0,1,0,0,0,1|0,0,0]=2 609 B9R0.53 CC(=O)CC(=O)CC(=O)[O-] CHEBI:57814 [0,1,0,0,0,1|0,0,1]=3 610 B9R0.53 CC(=O)CC(CC(=O)O)O CHEBI:37032 [0,1,0,0,0,1|0,0,0]=2 611 B9R0.53 CC(=O)CC(CC(=O)[O-])O CHEBI:20051 [0,1,0,0,0,1|0,0,1]=3 612 B9R0.53 CC(CC(=O)O)CC(=O)O CHEBI:68566 [0,1,0,0,0,1|1,0,0]=3 613 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N CHEBI:27713 [0,1,0,0,0,1|1,0,1]=4 614 B9R0.53 C[C@@H](C[C@@H](CC(=O)O)N)N CHEBI:15616 [0,1,0,0,0,1|1,0,1]=4 615 B9R0.53 C\C(=C/C(=O)O)\CC(=O)O CHEBI:37245 [0,1,0,0,0,1|1,0,1]=4 616 B9R0.56 C(C(=O)O)NCP(=O)(O)O CHEBI:27744 [0,1,0,0,0,1|2,0,0]=4 617 B9R0.56 C(C(=O)[O-])NCP(=O)(O)[O-] CHEBI:67052 [0,1,0,0,0,1|2,0,0]=4 618 B9R0.56 C(C(=O)[O-])[NH2+]CP(=O)(O)[O-] CHEBI:133673 [0,1,0,0,0,1|2,0,0]=4 619 B9R0.56 CC(=C)CCOP(=O)(O)O CHEBI:65121 [0,1,0,0,0,1|2,0,0]=4 620 B9R0.56 CC(=O)NCCS(=O)(=O)O CHEBI:84415 [0,1,0,0,0,1|1,0,0]=3 621 B9R0.56 CC(=O)NCCS(=O)(=O)[O-] CHEBI:133737 [0,1,0,0,0,1|1,0,1]=4 622 B9R0.56 C[N+](C)(C)CCCC(=O)O CHEBI:1941 [0,1,0,0,0,1|2,0,0]=4 623 B9R0.21 C(C(=O)COP(=O)(O)O)N CHEBI:1449 [0,2,0,0,0,0|2,0,0]=4 624 B9R0.21 C(C(=O)COP(=O)(O)O)O CHEBI:16108 [0,2,0,0,0,0|2,0,0]=4 625 B9R0.21 C(C(=O)COS(=O)(=O)O)O CHEBI:27894 [0,2,0,0,0,0|2,0,0]=4 626 B9R0.23 C([C@@H](C(=O)NO)N)C(=O)O CHEBI:16316 [0,2,0,0,0,0|1,0,0]=3 627 B9R0.23 C([C@@H]([C@@H](CO)O)O)C(=O)O CHEBI:86350 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.23 CC(C)C[C@@H](C(=O)OC)N CHEBI:44075 [0,2,0,0,0,0|1,0,1]=4 629 B9R0.24 COC(=O)CCC(=O)CN CHEBI:724125 [0,2,0,0,0,0|0,0,0]=2 630 B9R0.24 COC(=O)CCC(=O)C[NH3+] CHEBI:60641 [0,2,0,0,0,0|0,0,0]=2 631 B9R0.24 COC(=O)\C=C/C(=O)OC CHEBI:35460 [0,2,0,0,0,0|0,0,2]=4 632 B9R0.24 COC(=O)\C=C\C(=O)OC CHEBI:76004 [0,2,0,0,0,0|0,0,2]=4 633 B9R0.42 C(C(=O)CO)C(=O)C(=O)O CHEBI:28679 [0,2,0,0,0,0|0,0,1]=3 634 B9R0.42 C(C(=O)CO)C(=O)C(=O)[O-] CHEBI:86001 [0,2,0,0,0,0|0,0,2]=4 635 B9R0.42 C([C@@H](C(=O)O)N)C(=O)NO CHEBI:52794 [0,2,0,0,0,0|1,0,0]=3 636 B9R0.42 C([C@@H](C(=O)[O-])[NH3+])C(=O)NO CHEBI:58902 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.42 C([C@H](C=O)O)[C@@H](C(=O)O)N CHEBI:27809 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.42 C([C@H](C=O)O)[C@@H](C(=O)[O-])[NH3+] CHEBI:62637 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.42 CC(C(=O)O)OC(=O)CO CHEBI:53493 [0,2,0,0,0,0|1,0,0]=3 640 B9R0.42 CC(C=O)OC(C)C(=O)O CHEBI:87268 [0,2,0,0,0,0|1,0,1]=4 641 B9R0.42 CNC(=O)C[C@@H](C(=O)O)N CHEBI:44079 [0,2,0,0,0,0|0,0,0]=2 642 B9R0.42 COC(=O)CC(=O)C(=O)O CHEBI:16859 [0,2,0,0,0,0|0,0,1]=3 643 B9R0.42 COC(=O)CC(=O)C(=O)[O-] CHEBI:57927 [0,2,0,0,0,0|0,0,2]=4 644 B9R0.42 COC(=O)C[C@H](C(=O)O)N CHEBI:87437 [0,2,0,0,0,0|0,0,0]=2 645 B9R0.42 C[C@@H](C(=O)O)NC(=O)CN CHEBI:73855 [0,2,0,0,0,0|1,0,0]=3 646 B9R0.42 C[C@H](C(=O)O)NC(=O)CN CHEBI:73891 [0,2,0,0,0,0|1,0,0]=3 647 B9R0.42 C[C@H](C[C@@H](C(=O)O)N)C=O CHEBI:43739 [0,2,0,0,0,0|0,0,1]=3 648 B9R0.48 C(CN)C(=O)NCC(=O)O CHEBI:73834 [0,2,0,0,0,0|1,0,0]=3 649 B9R0.48 C=CCC(=O)NCC(=O)O CHEBI:74435 [0,2,0,0,0,0|1,0,0]=3 650 B9R0.48 CCCC(=O)NCC(=O)O CHEBI:89963 [0,2,0,0,0,0|1,0,0]=3 651 B9R0.48 CCCC(=O)NCC(=O)[O-] CHEBI:132937 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.11 CC(C)(CC(=O)O)C(=O)O CHEBI:86537 [0,2,0,0,0,0|1,0,0]=3 653 B9R0.11 CC(CC(=O)O)(C(=O)O)O CHEBI:15584 [0,2,0,0,0,0|1,0,0]=3 654 B9R0.11 CC(CC(=O)[O-])(C(=O)[O-])O CHEBI:13997 [0,2,0,0,0,0|1,0,1]=4 655 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)O CHEBI:15586 [0,2,0,0,0,0|1,0,0]=3 656 B9R0.11 C[C@@](CC(=O)[O-])(C(=O)[O-])O CHEBI:30934 [0,2,0,0,0,0|1,0,1]=4 657 B9R0.11 C[C@](CC(=O)O)(C(=O)O)O CHEBI:29003 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.11 C[C@](CC(=O)[O-])(C(=O)[O-])O CHEBI:30936 [0,2,0,0,0,0|1,0,1]=4 659 B9R0.39 C(C(C(=O)O)S[Au])C(=O)O CHEBI:38722 [0,2,0,0,0,0|1,0,0]=3 660 B9R0.39 C(C(C(=O)[O-])S[Au])C(=O)O CHEBI:35863 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.39 C(C(C(=O)[O-])S[Au])C(=O)[O-] CHEBI:35864 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.39 C(C(C(=O)[O-])S[Au])C(=O)[O-] CHEBI:68613 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.39 C([C@@H](C(=O)O)NC(=O)N)S CHEBI:64855 [0,2,0,0,0,0|2,0,0]=4 664 B9R0.39 C([C@@H](C(=O)O)S[Au])C(=O)O CHEBI:38727 [0,2,0,0,0,0|1,0,0]=3 665 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CHEBI:45441 [0,2,0,0,0,0|1,0,0]=3 666 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CHEBI:28939 [0,2,0,0,0,0|1,0,0]=3 667 B9R0.39 CC(=O)N[C@@H](CS)C(=O)[O-] CHEBI:78236 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.39 CC(C)CC(C(=O)O)NC CHEBI:43983 [0,2,0,0,0,0|1,0,1]=4 669 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CHEBI:31882 [0,2,0,0,0,0|1,0,0]=3 670 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O CHEBI:21260 [0,2,0,0,0,0|2,0,0]=4 671 B9R0.57 C(C(C(=O)O)O)S(=O)(=O)O CHEBI:38023 [0,2,0,0,0,0|2,0,0]=4 672 B9R0.57 C([C@@H](C(=O)O)N)S(=O)(=O)O CHEBI:17285 [0,2,0,0,0,0|2,0,0]=4 673 B9R0.57 C([C@@H](C(=O)O)O)S(=O)(=O)O CHEBI:48291 [0,2,0,0,0,0|2,0,0]=4 674 B9R0.57 C([C@H](C(=O)O)O)S(=O)(=O)O CHEBI:16712 [0,2,0,0,0,0|2,0,0]=4 675 B9R0.79 C(C(=O)C(=O)O)(C(=O)O)O CHEBI:17778 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N CHEBI:83981 [0,2,0,0,0,0|1,0,0]=3 677 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O CHEBI:15674 [0,2,0,0,0,0|1,0,0]=3 678 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O CHEBI:48929 [0,2,0,0,0,0|1,0,0]=3 679 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O CHEBI:30929 [0,2,0,0,0,0|1,0,1]=4 680 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O CHEBI:50386 [0,2,0,0,0,0|1,0,1]=4 681 B9R0.79 CC(C(=C)C(=O)O)C(=O)O CHEBI:16093 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.79 CC(C(=O)C(=O)O)C(=O)O CHEBI:50793 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.79 CC(C(C(=O)O)O)C(=O)O CHEBI:25312 [0,2,0,0,0,0|1,0,0]=3 684 B9R0.79 CC(C(C(=O)[O-])O)C(=O)[O-] CHEBI:87810 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.79 CC(C(C(C(=O)O)O)O)O CHEBI:131364 [0,2,0,0,0,0|0,0,2]=4 686 B9R0.79 C[C@@H](C(=O)C(=O)O)C(=O)O CHEBI:6885 [0,2,0,0,0,0|1,0,1]=4 687 B9R0.79 C[C@@H]([C@@H](C(=O)O)N)C(=O)O CHEBI:47980 [0,2,0,0,0,0|1,0,0]=3 688 B9R0.79 C[C@@H]([C@@H](C(=O)O)O)C(=O)O CHEBI:28456 [0,2,0,0,0,0|1,0,0]=3 689 B9R0.79 C[C@@H]([C@@H](C(=O)[O-])N)C(=O)[O-] CHEBI:16378 [0,2,0,0,0,0|1,0,1]=4 690 B9R0.79 C[C@@H]([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] CHEBI:58724 [0,2,0,0,0,0|1,0,1]=4 691 B9R0.79 C[C@@H]([C@H](C(=O)O)O)C(=O)O CHEBI:27394 [0,2,0,0,0,0|1,0,0]=3 692 B9R0.79 C[C@@H]([C@H](C(=O)[O-])O)C(=O)[O-] CHEBI:58511 [0,2,0,0,0,0|1,0,1]=4 693 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](C(=O)O)N CHEBI:79079 [0,2,0,0,0,0|0,0,2]=4 694 B9R0.79 C[C@H](C(=O)C(=O)O)C(=O)O CHEBI:50794 [0,2,0,0,0,0|1,0,1]=4 695 B9R0.79 C[C@H]([C@@H](C(=O)O)O)C(=O)O CHEBI:50787 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.79 C[C@H]([C@H](C(=O)O)O)C(=O)O CHEBI:27736 [0,2,0,0,0,0|1,0,0]=3 697 B9R0.79 [C@@H](C(=O)C(=O)O)(C(=O)O)O CHEBI:49012 [0,2,0,0,0,0|1,0,1]=4 698 B9R0.79 [C@@H](C(C(=O)O)O)(C(=O)O)N CHEBI:60887 [0,2,0,0,0,0|1,0,0]=3 699 B9R0.79 [C@@H]([C@@H](C(=O)O)O)(C(=O)O)N CHEBI:60893 [0,2,0,0,0,0|1,0,0]=3 700 B9R0.79 [C@@H]([C@@H](C(=O)O)O)(C(=O)O)O CHEBI:15673 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.79 [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S CHEBI:63623 [0,2,0,0,0,0|1,0,0]=3 702 B9R0.79 [C@@H]([C@@H](C(=O)[O-])O)(C(=O)O)O CHEBI:48931 [0,2,0,0,0,0|1,0,0]=3 703 B9R0.79 [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:30928 [0,2,0,0,0,0|1,0,1]=4 704 B9R0.79 [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:35400 [0,2,0,0,0,0|1,0,1]=4 705 B9R0.79 [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CHEBI:60894 [0,2,0,0,0,0|1,0,1]=4 706 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)N CHEBI:60897 [0,2,0,0,0,0|1,0,0]=3 707 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O CHEBI:15671 [0,2,0,0,0,0|1,0,0]=3 708 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O CHEBI:35398 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:30924 [0,2,0,0,0,0|1,0,1]=4 710 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:63017 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:63018 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:63019 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:63075 [0,2,0,0,0,0|1,0,1]=4 714 B9R0.79 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CHEBI:60898 [0,2,0,0,0,0|1,0,1]=4 715 B9R0.79 [C@H](C(=O)C(=O)O)(C(=O)O)O CHEBI:49013 [0,2,0,0,0,0|1,0,1]=4 716 B9R0.79 [C@H](C(C(=O)O)O)(C(=O)O)N CHEBI:48423 [0,2,0,0,0,0|1,0,0]=3 717 B9R0.79 [C@H](C(C(=O)O)S)(C(=O)O)N CHEBI:74653 [0,2,0,0,0,0|1,0,0]=3 718 B9R0.79 [C@H]([C@@H](C(=O)N)O)(C(=O)O)N CHEBI:50789 [0,2,0,0,0,0|1,0,0]=3 719 B9R0.79 [C@H]([C@@H](C(=O)N)O)(C(=O)[O-])[NH3+] CHEBI:58850 [0,2,0,0,0,0|1,0,1]=4 720 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)N CHEBI:10696 [0,2,0,0,0,0|1,0,0]=3 721 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O CHEBI:15672 [0,2,0,0,0,0|1,0,0]=3 722 B9R0.79 [C@H]([C@@H](C(=O)[O-])O)(C(=O)O)O CHEBI:35399 [0,2,0,0,0,0|1,0,0]=3 723 B9R0.79 [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])N CHEBI:17838 [0,2,0,0,0,0|1,0,1]=4 724 B9R0.79 [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O CHEBI:30927 [0,2,0,0,0,0|1,0,1]=4 725 B9R0.79 [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CHEBI:57251 [0,2,0,0,0,0|1,0,1]=4 726 B9R0.79 [C@H]([C@H](C(=O)O)O)(C(=O)O)N CHEBI:17576 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.79 [C@H]([C@H](C(=O)[O-])O)(C(=O)O)O CHEBI:48930 [0,2,0,0,0,0|1,0,0]=3 728 B9R0.79 [C@H]([C@H](C(=O)[O-])O)(C(=O)[O-])N CHEBI:33196 [0,2,0,0,0,0|1,0,1]=4 729 B9R0.79 [C@H]([C@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CHEBI:58196 [0,2,0,0,0,0|1,0,1]=4 730 B7R1.2 C1=CC(=O)OC1=O CHEBI:474859 [1,0,0,1,0,0|0,0,2]=4 731 B7R1.2 C1C(=O)NC(=O)N1 CHEBI:27612 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.2 C1C(=O)NC(=O)S1 CHEBI:50992 [1,0,0,1,0,0|2,0,0]=4 733 B7R1.2 C1C(=O)SC(=O)N1 CHEBI:50993 [1,0,0,1,0,0|1,1,0]=4 734 B7R1.2 C1CC(=O)CC1=O CHEBI:41456 [1,0,0,1,0,0|0,0,0]=2 735 B7R1.2 C1CC(=O)NC1=O CHEBI:9307 [1,0,0,1,0,0|1,0,0]=3 736 B7R1.2 C1CC(=O)OC1=O CHEBI:36595 [1,0,0,1,0,0|0,0,0]=2 737 B7R1.2 C=C1CCC(=O)O1 CHEBI:36439 [1,0,0,1,0,0|0,0,1]=3 738 B7R1.2 CC1=CCC(=O)O1 CHEBI:36433 [1,0,0,1,0,0|0,0,1]=3 739 B7R1.2 CC1CCC(=C1)O CHEBI:111510 [1,0,0,1,0,0|1,0,1]=4 740 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [1,0,0,1,0,0|0,0,1]=3 741 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [1,0,0,1,0,0|0,0,1]=3 742 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [1,0,0,1,0,0|0,0,1]=3 743 B7R1.3 C1CC(=O)CC=C1 CHEBI:48952 [1,0,0,1,0,0|1,0,0]=3 744 B7R1.3 C1CCC(=O)CC1 CHEBI:17854 [1,0,0,1,0,0|1,0,1]=4 745 B7R1.3 C1CCNC(=O)C1 CHEBI:77761 [1,0,0,1,0,0|1,0,1]=4 746 B7R1.3 C1CCOC(=O)C1 CHEBI:16545 [1,0,0,1,0,0|0,0,1]=3 747 B7R1.12 CC(=O)C1CC1=C CHEBI:131398 [1,0,0,1,0,0|1,0,0]=3 748 B7R1.18 C1CNC1C(=O)O CHEBI:38108 [1,0,0,1,0,0|1,0,1]=4 749 B7R1.18 C1CN[C@@H]1C(=O)O CHEBI:6198 [1,0,0,1,0,0|1,0,1]=4 750 B7R1.18 C1CN[C@H]1C(=O)O CHEBI:38109 [1,0,0,1,0,0|1,0,1]=4 751 B9R1.35 C1C(CNC1C(=O)O)O CHEBI:20392 [0,0,0,1,0,1|0,0,2]=4 752 B9R1.35 C1C(N=C(S1)N)C(=O)O CHEBI:64777 [0,0,0,1,0,1|2,0,0]=4 753 B9R1.35 C1C(NCC1=O)C(=O)O CHEBI:37011 [0,0,0,1,0,1|0,0,0]=2 754 B9R1.35 C1C(NCC1=O)C(=O)[O-] CHEBI:58670 [0,0,0,1,0,1|0,0,1]=3 755 B9R1.35 C1C([NH2+]CC1=O)C(=O)[O-] CHEBI:77656 [0,0,0,1,0,1|0,0,1]=3 756 B9R1.35 C1CC(=O)CC1C(=O)O CHEBI:71213 [0,0,0,1,0,1|0,0,0]=2 757 B9R1.35 C1CC(=O)CC1C(=O)[O-] CHEBI:71191 [0,0,0,1,0,1|0,0,1]=3 758 B9R1.35 C1CC(=O)NC1C(=O)O CHEBI:16010 [0,0,0,1,0,1|1,0,0]=3 759 B9R1.35 C1CC(=O)NC1C(=O)[O-] CHEBI:57606 [0,0,0,1,0,1|1,0,1]=4 760 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O CHEBI:18183 [0,0,0,1,0,1|1,0,0]=3 761 B9R1.35 C1CC(=O)N[C@@H]1C(=O)[O-] CHEBI:58402 [0,0,0,1,0,1|1,0,1]=4 762 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CHEBI:16924 [0,0,0,1,0,1|1,0,0]=3 763 B9R1.35 C1CC(=O)N[C@H]1C(=O)[O-] CHEBI:57948 [0,0,0,1,0,1|1,0,1]=4 764 B9R1.35 C1CC(=O)OC1C(=O)O CHEBI:74524 [0,0,0,1,0,1|1,0,0]=3 765 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O CHEBI:73677 [0,0,0,1,0,1|1,0,0]=3 766 B9R1.35 C1CC(=O)O[C@@H]1C(=O)[O-] CHEBI:73673 [0,0,0,1,0,1|1,0,0]=3 767 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CHEBI:28397 [0,0,0,1,0,1|0,0,2]=4 768 B9R1.35 C1[C@@H](N=C(S1)N)C(=O)O CHEBI:64774 [0,0,0,1,0,1|2,0,0]=4 769 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CHEBI:18095 [0,0,0,1,0,1|0,0,2]=4 770 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O CHEBI:16231 [0,0,0,1,0,1|0,0,2]=4 771 B9R1.35 C1[C@H](N=C(S1)N)C(=O)O CHEBI:64773 [0,0,0,1,0,1|2,0,0]=4 772 B9R1.35 C1[C@H](NCC1=O)C(=O)O CHEBI:16821 [0,0,0,1,0,1|0,0,0]=2 773 B9R1.35 C1[C@H](NCC1O)C(=O)O CHEBI:18240 [0,0,0,1,0,1|0,0,2]=4 774 B9R1.35 C1[C@H]([NH2+]CC1=O)C(=O)[O-] CHEBI:84813 [0,0,0,1,0,1|0,0,1]=3 775 B9R1.35 CC(C1CC(=O)OC1)O CHEBI:87296 [0,0,0,1,0,1|1,0,1]=4 776 B9R1.161 [C@@H]1([C@@H](O1)C(=O)O)C(=O)O CHEBI:15900 [0,0,0,1,0,1|1,0,0]=3 777 B9R1.161 [C@@H]1([C@@H](O1)C(=O)[O-])C(=O)[O-] CHEBI:57558 [0,0,0,1,0,1|1,0,1]=4 778 B9R1.45 C=C1CC1[C@@H](C(=O)O)N CHEBI:136301 [0,1,0,1,0,0|1,0,0]=3 779 B5R0.5 C(=O)(C(=O)N)N CHEBI:48248 [0,0,0,0,2,0|2,0,0]=4 780 B5R0.5 C(=O)(C(=O)O)N CHEBI:18058 [0,0,0,0,2,0|1,0,0]=3 781 B5R0.5 C(=O)(C(=O)O)O CHEBI:16995 [0,0,0,0,2,0|1,0,0]=3 782 B5R0.5 C(=O)(C(=O)[O-])N CHEBI:58363 [0,0,0,0,2,0|1,0,1]=4 783 B5R0.5 C(=O)(C(=O)[O-])O CHEBI:46904 [0,0,0,0,2,0|1,0,0]=3 784 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:132764 [0,0,0,0,2,0|1,0,1]=4 785 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:30623 [0,0,0,0,2,0|1,0,1]=4 786 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:60579 [0,0,0,0,2,0|1,0,1]=4 787 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:91241 [0,0,0,0,2,0|1,0,1]=4 788 B5R0.5 C=C(C(=O)O)Cl CHEBI:73963 [0,0,0,0,2,0|1,0,1]=4 789 B5R0.5 C=C(C(=O)O)N CHEBI:17123 [0,0,0,0,2,0|1,0,1]=4 790 B5R0.5 C=C(C(=O)O)O CHEBI:86354 [0,0,0,0,2,0|0,0,2]=4 791 B5R0.5 CC(=C)C(=O)N CHEBI:51759 [0,0,0,0,2,0|2,0,0]=4 792 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,0,0,0,2,0|1,0,0]=3 793 B5R0.5 CC(=C)C(=O)[O-] CHEBI:25218 [0,0,0,0,2,0|1,0,1]=4 794 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,0,0,0,2,0|1,0,0]=3 795 B5R0.5 CC(=N)C(=O)[O-] CHEBI:77456 [0,0,0,0,2,0|1,0,1]=4 796 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [0,0,0,0,2,0|1,0,0]=3 797 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,0,0,0,2,0|0,0,0]=2 798 B5R0.5 CC(=O)C(=O)[O-] CHEBI:15361 [0,0,0,0,2,0|0,0,1]=3 799 B5R0.5 CC(=O)C(=O)[O-] CHEBI:50144 [0,0,0,0,2,0|0,0,1]=3 800 B5R0.5 CC(=[NH2+])C(=O)[O-] CHEBI:44400 [0,0,0,0,2,0|1,0,1]=4 801 B5R0.5 CC(C(=O)C)O CHEBI:15688 [0,0,0,0,2,0|1,0,1]=4 802 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,0,0,0,2,0|1,0,1]=4 803 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,0,0,0,2,0|0,0,2]=4 804 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,0,0,0,2,0|0,1,1]=4 805 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,0,0,0,2,0|1,0,1]=4 806 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,0,0,0,2,0|1,0,1]=4 807 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,0,0,0,2,0|2,0,0]=4 808 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [0,0,0,0,2,0|1,0,1]=4 809 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,0,0,0,2,0|1,0,1]=4 810 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,0,0,0,2,0|1,0,1]=4 811 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,0,0,0,2,0|0,0,2]=4 812 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,0,0,0,2,0|0,1,1]=4 813 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,0,0,0,2,0|1,0,1]=4 814 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [0,0,0,0,2,0|1,0,1]=4 815 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,0,0,0,2,0|1,0,1]=4 816 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,0,0,0,2,0|0,0,2]=4 817 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,0,0,0,2,0|0,1,1]=4 818 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,0,0,0,2,0|1,0,1]=4 819 B5R0.5 [*]C(=O)C(=O)O CHEBI:35910 [0,0,0,0,2,0|1,0,0]=3 820 B5R0.5 [*]C(=O)C(=O)[O-] CHEBI:35179 [0,0,0,0,2,0|1,0,1]=4 821 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,0,0,0,2,0|1,0,1]=4 822 B9R0.55 C(C(=O)O)\[As]=[As]\CC(=O)O CHEBI:22634 [0,0,0,0,0,2|1,0,0]=3 823 B9R0.55 C(CC(=O)O)CN=C(N)N CHEBI:86564 [0,0,0,0,0,2|2,0,0]=4 824 B9R0.55 C(CC(=O)O)CNC(=N)N CHEBI:15728 [0,0,0,0,0,2|2,0,0]=4 825 B9R0.55 C(CC(=O)O)\C=C\C(=O)O CHEBI:36192 [0,0,0,0,0,2|1,0,0]=3 826 B9R0.55 C(CC(=O)O)\C=C\C(=O)O CHEBI:49296 [0,0,0,0,0,2|1,0,0]=3 827 B9R0.55 C(CCC(=O)O)CC(=O)N CHEBI:59042 [0,0,0,0,0,2|1,0,0]=3 828 B9R0.55 C(CCC(=O)O)CC(=O)O CHEBI:30832 [0,0,0,0,0,2|1,0,0]=3 829 B9R0.55 C(CCC(=O)[O-])CC(=O)O CHEBI:30833 [0,0,0,0,0,2|1,0,0]=3 830 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] CHEBI:17128 [0,0,0,0,0,2|1,0,1]=4 831 B9R0.55 C(\C=C\CC(=O)O)C(=O)O CHEBI:86952 [0,0,0,0,0,2|1,0,0]=3 832 B9R0.55 C(\C=C\CC(=O)O)C(=O)O CHEBI:87166 [0,0,0,0,0,2|1,0,0]=3 833 B9R0.55 CC(=O)NCCCC(=O)O CHEBI:17645 [0,0,0,0,0,2|0,0,0]=2 834 B9R0.55 CC(=O)NCCCC(=O)[O-] CHEBI:11951 [0,0,0,0,0,2|0,0,1]=3 835 B9R0.55 CC(CCCCC(=O)O)O CHEBI:78774 [0,0,0,0,0,2|0,0,2]=4 836 B9R0.55 C[C@@H](CCCCC(=O)O)O CHEBI:78781 [0,0,0,0,0,2|0,0,2]=4 837 B9R0.55 C[C@H](CCCCC(=O)O)O CHEBI:78775 [0,0,0,0,0,2|0,0,2]=4 838 B9R0.55 C[C@H](CC\C=C\C(=O)O)O CHEBI:78831 [0,0,0,0,0,2|0,0,2]=4 839 B9R0.55 [*]C(=O)NCCCC(=O)O CHEBI:134018 [0,0,0,0,0,2|1,0,0]=3 840 B9R0.55 [*]C(=O)NCCCC(=O)[O-] CHEBI:133575 [0,0,0,0,0,2|1,0,1]=4 841 B9R0.55 [*]C(=O)NCCOC(=O)[*] CHEBI:84481 [0,0,0,0,0,2|2,0,0]=4