0 B5R0.5 B(B(O)O)(O)O CHEBI:38289 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.5 C(=O)(C(=O)N)N CHEBI:48248 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.5 C(=O)(C(=O)O)N CHEBI:18058 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 C(=O)(C(=O)O)O CHEBI:16995 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 C(=O)(C(=O)[O-])N CHEBI:58363 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.5 C(=O)(C(=O)[O-])O CHEBI:46904 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:132764 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:30623 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:60579 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.5 C(=O)(C(=O)[O-])[O-] CHEBI:91241 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.5 C(C(=O)Cl)(Cl)Cl CHEBI:34688 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.5 C(C(=O)O)(Br)Br CHEBI:90124 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 C(C(=O)O)(Cl)Br CHEBI:64206 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 C(C(=O)O)(Cl)Cl CHEBI:36386 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 C(C(=O)O)(F)F CHEBI:23716 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 C(C(=O)O)(N)O CHEBI:38048 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 C(C(=O)[O-])(Cl)Cl CHEBI:28240 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 C(C(=O)[O-])(F)F CHEBI:23715 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 C=C(C(=O)O)Cl CHEBI:73963 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.5 C=C(C(=O)O)N CHEBI:17123 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.5 C=C(C(=O)O)O CHEBI:86354 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.5 C=C(C(=O)[O-])Cl CHEBI:73935 [0,0,0,0,0,0|1,0,3]=4 22 B5R0.5 C=C(C(=O)[O-])N CHEBI:58020 [0,0,0,0,0,0|1,0,3]=4 23 B5R0.5 C=C(C(=O)[O-])[NH3+] CHEBI:76565 [0,0,0,0,0,0|1,0,3]=4 24 B5R0.5 CC(=C)C(=O)N CHEBI:51759 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.5 CC(=C)C(=O)O CHEBI:25219 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.5 CC(=C)C(=O)[O-] CHEBI:25218 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.5 CC(=N)C(=O)O CHEBI:76608 [0,0,0,0,0,0|1,0,1]=2 28 B5R0.5 CC(=N)C(=O)[O-] CHEBI:77456 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.5 CC(=O)C(=O)C CHEBI:16583 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.5 CC(=O)C(=O)O CHEBI:32816 [0,0,0,0,0,0|0,0,2]=2 31 B5R0.5 CC(=O)C(=O)[O-] CHEBI:15361 [0,0,0,0,0,0|0,0,3]=3 32 B5R0.5 CC(=O)C(=O)[O-] CHEBI:50144 [0,0,0,0,0,0|0,0,3]=3 33 B5R0.5 CC(=O)N(C)C CHEBI:84254 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.5 CC(=[NH2+])C(=O)[O-] CHEBI:44400 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.5 CC(C(=O)C)O CHEBI:15688 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.5 CC(C(=O)N)O CHEBI:75144 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.5 CC(C(=O)O)N CHEBI:16449 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.5 CC(C(=O)O)O CHEBI:78320 [0,0,0,0,0,0|0,0,0]=0 39 B5R0.5 CC(C(=O)O)S CHEBI:47872 [0,0,0,0,0,0|0,1,0]=1 40 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.5 CC(C(=O)[O-])N CHEBI:32439 [0,0,0,0,0,0|1,0,1]=2 42 B5R0.5 CC(C(=O)[O-])O CHEBI:24996 [0,0,0,0,0,0|0,0,1]=1 43 B5R0.5 CC(C(=O)[O-])O CHEBI:75228 [0,0,0,0,0,0|0,0,1]=1 44 B5R0.5 CC(C(=O)[O-])[NH3+] CHEBI:66916 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.5 CC(C(C)O)O CHEBI:62064 [0,0,0,0,0,0|1,0,1]=2 46 B5R0.5 CC(C)C(=O)O CHEBI:16135 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.5 CC(C)C(=O)[O-] CHEBI:48944 [0,0,0,0,0,0|1,0,1]=2 48 B5R0.5 CC(C)C(C)O CHEBI:77517 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.5 CC(C)[N+](=O)[O-] CHEBI:16037 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.5 CN(C)C(=O)O CHEBI:38544 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.5 CN(C)C(=S)S CHEBI:83061 [0,0,0,0,0,0|2,2,0]=4 52 B5R0.5 CN(C)C(=S)[S-] CHEBI:84293 [0,0,0,0,0,0|2,2,0]=4 53 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [0,0,0,0,0,0|1,0,0]=1 54 B5R0.5 C[C@@H](C(=O)N)N CHEBI:21217 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.5 C[C@@H](C(=O)N)[NH3+] CHEBI:74169 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [0,0,0,0,0,0|1,0,0]=1 57 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [0,0,0,0,0,0|1,0,0]=1 58 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [0,0,0,0,0,0|0,0,0]=0 59 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [0,0,0,0,0,0|0,1,0]=1 60 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [0,0,0,0,0,0|1,0,0]=1 61 B5R0.5 C[C@@H](C(=O)[O-])Cl CHEBI:73934 [0,0,0,0,0,0|1,0,1]=2 62 B5R0.5 C[C@@H](C(=O)[O-])N CHEBI:32431 [0,0,0,0,0,0|1,0,1]=2 63 B5R0.5 C[C@@H](C(=O)[O-])O CHEBI:16651 [0,0,0,0,0,0|0,0,1]=1 64 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] CHEBI:57972 [0,0,0,0,0,0|1,0,1]=2 65 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [0,0,0,0,0,0|1,0,1]=2 66 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [0,0,0,0,0,0|1,0,0]=1 67 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [0,0,0,0,0,0|1,0,0]=1 68 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [0,0,0,0,0,0|0,0,0]=0 69 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [0,0,0,0,0,0|0,1,0]=1 70 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [0,0,0,0,0,0|1,0,0]=1 71 B5R0.5 C[C@H](C(=O)[O-])N CHEBI:32435 [0,0,0,0,0,0|1,0,1]=2 72 B5R0.5 C[C@H](C(=O)[O-])O CHEBI:16004 [0,0,0,0,0,0|0,0,1]=1 73 B5R0.5 C[C@H](C(=O)[O-])[NH3+] CHEBI:57416 [0,0,0,0,0,0|1,0,1]=2 74 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [0,0,0,0,0,0|1,0,1]=2 76 B5R0.5 OS(=O)S(=O)O CHEBI:29253 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.5 OS(=O)S(=O)[O-] CHEBI:33487 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.5 [*]C(=O)C(=O)O CHEBI:35910 [0,0,0,0,0,0|1,0,2]=3 79 B5R0.5 [*]C(=O)C(=O)[O-] CHEBI:35179 [0,0,0,0,0,0|1,0,3]=4 80 B5R0.5 [*]C(=O)N([*])[*] CHEBI:37622 [0,0,0,0,0,0|4,0,0]=4 81 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [0,0,0,0,0,0|1,0,0]=1 82 B5R0.5 [*]\C(=C(\[*])/O)\[*] CHEBI:33823 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.1 C#CC(=O)N CHEBI:51764 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 C#CC(=O)O CHEBI:33199 [1,0,0,0,0,0|0,0,2]=3 85 B4R0.1 C#CC(=O)[O-] CHEBI:15364 [1,0,0,0,0,0|0,0,3]=4 86 B4R0.1 C(=N)(N)NO CHEBI:43089 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.1 C(=N)C(=O)O CHEBI:53647 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.1 C(=N)C(=O)[O-] CHEBI:53664 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 C(=O)(N)NN CHEBI:28306 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 C(=O)(N)NO CHEBI:44423 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 C(=O)(NN)O CHEBI:38662 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 C(=O)C(=O)N CHEBI:59839 [1,0,0,0,0,0|1,0,2]=4 93 B4R0.1 C(=O)C(=O)O CHEBI:16891 [1,0,0,0,0,0|0,0,2]=3 94 B4R0.1 C(=O)C(=O)[O-] CHEBI:36655 [1,0,0,0,0,0|0,0,3]=4 95 B4R0.1 C(=O)C(=O)[O-] CHEBI:91251 [1,0,0,0,0,0|0,0,3]=4 96 B4R0.1 C(=[NH2+])C(=O)[O-] CHEBI:77846 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 C(C(=O)N)F CHEBI:53124 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 C(C(=O)N)N CHEBI:42843 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 C(C(=O)N)O CHEBI:30321 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 C(C(=O)O)F CHEBI:30775 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 C(C(=O)O)I CHEBI:74571 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 C(C(=O)O)N CHEBI:15428 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.1 C(C(=O)O)O CHEBI:17497 [1,0,0,0,0,0|0,0,0]=1 105 B4R0.1 C(C(=O)O)S CHEBI:30065 [1,0,0,0,0,0|0,1,0]=2 106 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 C(C(=O)S)N CHEBI:46799 [1,0,0,0,0,0|1,1,0]=3 108 B4R0.1 C(C(=O)[O-])Cl CHEBI:23123 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 C(C(=O)[O-])F CHEBI:18172 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 C(C(=O)[O-])F CHEBI:38699 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 C(C(=O)[O-])N CHEBI:32508 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [1,0,0,0,0,0|0,0,1]=2 113 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [1,0,0,0,0,0|0,0,1]=2 114 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [1,0,0,0,0,0|0,1,1]=3 115 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [1,0,0,0,0,0|0,1,1]=3 116 B4R0.1 C(C(=O)[O-])[NH3+] CHEBI:57305 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 C(C(=O)[O-])[S-] CHEBI:47869 [1,0,0,0,0,0|0,1,1]=3 118 B4R0.1 C=C(CO)Br CHEBI:49514 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 C=CC(=O)N CHEBI:28619 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 C=CC(=O)O CHEBI:18308 [1,0,0,0,0,0|0,0,2]=3 121 B4R0.1 C=CC(=O)[O-] CHEBI:37080 [1,0,0,0,0,0|0,0,3]=4 122 B4R0.1 CC(=C)C=C CHEBI:35194 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 CC(=NO)C CHEBI:15349 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.1 CC(=O)C#C CHEBI:48060 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 CC(=O)C=C CHEBI:48058 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.1 CC(=O)C=O CHEBI:17158 [1,0,0,0,0,0|0,0,2]=3 127 B4R0.1 CC(=O)CBr CHEBI:51845 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 CC(=O)CCl CHEBI:47220 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 CC(=O)CN CHEBI:17906 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 CC(=O)CO CHEBI:27957 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 CC(=O)NC CHEBI:87321 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.1 CC(=O)NN CHEBI:2422 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 CC(=O)NO CHEBI:27777 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CC(=O)OC CHEBI:77700 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.1 CC(=O)O[Hg+] CHEBI:49727 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 CC(=O)SC CHEBI:51280 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 CC(=S)OC CHEBI:51281 [1,0,0,0,0,0|2,1,0]=4 139 B4R0.1 CC(C#N)N CHEBI:27959 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 CC(C)C#C CHEBI:87379 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 CC(C)C=C CHEBI:77914 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 CC(C)C=O CHEBI:48943 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.1 CC(C)CN CHEBI:15997 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 CC(C)CO CHEBI:46645 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 CC(C)OC CHEBI:53505 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.1 CC(C=O)O CHEBI:18419 [1,0,0,0,0,0|0,0,0]=1 148 B4R0.1 CC(CCl)O CHEBI:76260 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.1 CC(CN)N CHEBI:30630 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 CC(CN)O CHEBI:19030 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.1 CC(CO)O CHEBI:16997 [1,0,0,0,0,0|0,0,1]=2 152 B4R0.1 CC=C(C)C CHEBI:77916 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 CCC(=C)C CHEBI:77915 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.1 CCC(=O)C CHEBI:28398 [1,0,0,0,0,0|1,0,0]=2 155 B4R0.1 CCC(=O)N CHEBI:45422 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.1 CCC(=O)O CHEBI:30768 [1,0,0,0,0,0|0,0,0]=1 157 B4R0.1 CCC(=O)[O-] CHEBI:132106 [1,0,0,0,0,0|0,0,1]=2 158 B4R0.1 CCC(=O)[O-] CHEBI:17272 [1,0,0,0,0,0|0,0,1]=2 159 B4R0.1 CCC(=O)[O-] CHEBI:63884 [1,0,0,0,0,0|0,0,1]=2 160 B4R0.1 CCC(=S)C CHEBI:36581 [1,0,0,0,0,0|1,1,0]=3 161 B4R0.1 CCC(C)C CHEBI:30362 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 CCC(C)N CHEBI:74526 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 CCC(C)O CHEBI:35687 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.1 CC[C@@H](C)O CHEBI:35686 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.1 CC[C@H](C)O CHEBI:45475 [1,0,0,0,0,0|1,0,1]=3 166 B4R0.1 CC[N+](=O)[O-] CHEBI:16268 [1,0,0,0,0,0|1,0,1]=3 167 B4R0.1 CN(C)C=O CHEBI:17741 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 CN(C)N=O CHEBI:35807 [1,0,0,0,0,0|3,0,0]=4 169 B4R0.1 CNC(=N)N CHEBI:16628 [1,0,0,0,0,0|3,0,0]=4 170 B4R0.1 CNC(=O)N CHEBI:44383 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.1 CNC(=O)O CHEBI:45379 [1,0,0,0,0,0|1,0,0]=2 172 B4R0.1 CNC(=[NH2+])N CHEBI:57840 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.1 COC(=O)N CHEBI:76606 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [1,0,0,0,0,0|0,0,0]=1 176 B4R0.1 C[C@@H](CO)N CHEBI:78502 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.1 C[C@@H](CO)O CHEBI:29002 [1,0,0,0,0,0|0,0,1]=2 178 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [1,0,0,0,0,0|1,0,1]=3 179 B4R0.1 C[C@H](C#N)N CHEBI:50618 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 C[C@H](C=O)O CHEBI:17167 [1,0,0,0,0,0|0,0,0]=1 181 B4R0.1 C[C@H](CN)O CHEBI:15675 [1,0,0,0,0,0|1,0,1]=3 182 B4R0.1 C[C@H](CO)O CHEBI:28972 [1,0,0,0,0,0|0,0,1]=2 183 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [1,0,0,0,0,0|1,0,1]=3 184 B4R0.1 C\C(=N/O)\O CHEBI:49029 [1,0,0,0,0,0|1,0,1]=3 185 B4R0.1 C\C(=N\N)\O CHEBI:48978 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 C\C=[N+](\O)/[O-] CHEBI:77894 [1,0,0,0,0,0|1,0,2]=4 187 B4R0.1 N(=O)(=O)OO CHEBI:29271 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.1 [*](C(=O)[O-])O CHEBI:131871 [1,0,0,0,0,0|1,0,1]=3 189 B4R0.1 [*]C(=O)CO CHEBI:52501 [1,0,0,0,0,0|1,0,0]=2 190 B4R0.1 [*]C(=O)O[*] CHEBI:33308 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.1 [*]C(=O)O[*] CHEBI:78553 [1,0,0,0,0,0|3,0,0]=4 192 B4R0.1 [*]C(=O)O[*] CHEBI:78555 [1,0,0,0,0,0|3,0,0]=4 193 B4R0.1 [*]C(=O)O[*] CHEBI:78557 [1,0,0,0,0,0|3,0,0]=4 194 B4R0.1 [*]C(=O)O[*] CHEBI:78558 [1,0,0,0,0,0|3,0,0]=4 195 B4R0.1 [*]C(=O)O[*] CHEBI:78560 [1,0,0,0,0,0|3,0,0]=4 196 B4R0.1 [*]C(=O)O[*] CHEBI:78561 [1,0,0,0,0,0|3,0,0]=4 197 B4R0.1 [*]C(=O)O[*] CHEBI:78562 [1,0,0,0,0,0|3,0,0]=4 198 B4R0.1 [*]C(=O)O[*] CHEBI:78563 [1,0,0,0,0,0|3,0,0]=4 199 B4R0.1 [*]C(=O)S[*] CHEBI:51277 [1,0,0,0,0,0|3,0,0]=4 200 B4R0.1 [*]SC(=O)C CHEBI:17093 [1,0,0,0,0,0|3,0,0]=4 201 B4R0.1 [*][C@H](CO)O CHEBI:27636 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.1 [*]\C(=N\O)\[*] CHEBI:24983 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.1 [*]\C(=N\O)\[*] CHEBI:25750 [1,0,0,0,0,0|3,0,0]=4 204 B4R0.1 [CH](C(=O)O)N CHEBI:32721 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.3 C(=O)C(C(=O)O)N CHEBI:17740 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.3 C(=O)C(C(=O)O)O CHEBI:16992 [0,1,0,0,0,0|0,0,1]=2 207 B6R0.3 C(=O)C(C(=O)[O-])O CHEBI:57978 [0,1,0,0,0,0|0,0,2]=3 208 B6R0.3 C(=O)[C@@H](C(=O)O)N CHEBI:37012 [0,1,0,0,0,0|1,0,1]=3 209 B6R0.3 C(=O)[C@@H](C(=O)[O-])N CHEBI:58671 [0,1,0,0,0,0|1,0,2]=4 210 B6R0.3 C(=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:77662 [0,1,0,0,0,0|1,0,2]=4 211 B6R0.3 C(C(=O)C(=O)O)Br CHEBI:131461 [0,1,0,0,0,0|0,0,2]=3 212 B6R0.3 C(C(=O)C(=O)O)F CHEBI:55521 [0,1,0,0,0,0|0,0,2]=3 213 B6R0.3 C(C(=O)C(=O)O)O CHEBI:30841 [0,1,0,0,0,0|0,0,2]=3 214 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [0,1,0,0,0,0|0,0,2]=3 215 B6R0.3 C(C(=O)C(=O)[O-])Br CHEBI:131592 [0,1,0,0,0,0|0,0,3]=4 216 B6R0.3 C(C(=O)C(=O)[O-])F CHEBI:55522 [0,1,0,0,0,0|0,0,3]=4 217 B6R0.3 C(C(=O)C(=O)[O-])O CHEBI:17180 [0,1,0,0,0,0|0,0,3]=4 218 B6R0.3 C(C(=O)C(=O)[O-])S CHEBI:57678 [0,1,0,0,0,0|0,0,3]=4 219 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,1,0,0,0,0|1,0,0]=2 224 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,1,0,0,0,0|0,0,0]=1 226 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,1,0,0,0,0|0,0,0]=1 227 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.3 C(C(C(=O)[O-])N)N CHEBI:49983 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.3 C(C(C(=O)[O-])N)[NH3+] CHEBI:58468 [0,1,0,0,0,0|1,0,1]=3 234 B6R0.3 C(C(C(=O)[O-])N)[S-] CHEBI:32457 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.3 C(C(C(=O)[O-])N)[Se-] CHEBI:32753 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.3 C(C(C(=O)[O-])N)[SeH] CHEBI:32752 [0,1,0,0,0,0|1,0,1]=3 237 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,1,0,0,0,0|0,0,1]=2 238 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,1,0,0,0,0|0,0,1]=2 239 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,1,0,0,0,0|1,0,1]=3 240 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [0,1,0,0,0,0|1,0,1]=3 241 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,1,0,0,0,0|1,0,0]=2 246 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,1,0,0,0,0|1,0,0]=2 247 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,1,0,0,0,0|1,0,0]=2 248 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,1,0,0,0,0|0,0,0]=1 250 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,1,0,0,0,0|0,0,0]=1 251 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,1,0,0,0,0|1,0,0]=2 254 B6R0.3 C([C@@H](C(=O)[O-])N)N CHEBI:13043 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [0,1,0,0,0,0|1,0,1]=3 257 B6R0.3 C([C@@H](C(=O)[O-])N)[NH3+] CHEBI:57721 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.3 C([C@@H](C(=O)[O-])N)[S-] CHEBI:32443 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.3 C([C@@H](C(=O)[O-])N)[Se-] CHEBI:32743 [0,1,0,0,0,0|1,0,1]=3 260 B6R0.3 C([C@@H](C(=O)[O-])N)[SeH] CHEBI:32742 [0,1,0,0,0,0|1,0,1]=3 261 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])Cl CHEBI:58132 [0,1,0,0,0,0|1,0,1]=3 262 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,1,0,0,0,0|1,0,1]=3 263 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[NH3+] CHEBI:84374 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[SeH] CHEBI:57843 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,1,0,0,0,0|1,0,0]=2 267 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,1,0,0,0,0|0,0,0]=1 272 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,1,0,0,0,0|0,0,0]=1 273 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,1,0,0,0,0|1,0,0]=2 274 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,1,0,0,0,0|1,0,0]=2 275 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,1,0,0,0,0|1,0,0]=2 276 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,1,0,0,0,0|1,0,1]=3 277 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.3 C([C@H](C(=O)[O-])N)[S-] CHEBI:32450 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.3 C([C@H](C(=O)[O-])N)[Se-] CHEBI:32750 [0,1,0,0,0,0|1,0,1]=3 280 B6R0.3 C([C@H](C(=O)[O-])N)[SeH] CHEBI:32747 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.3 C([C@H](C(=O)[O-])O)F CHEBI:55533 [0,1,0,0,0,0|0,0,1]=2 282 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,1,0,0,0,0|0,0,1]=2 283 B6R0.3 C([C@H](C(=O)[O-])[NH3+])Cl CHEBI:47291 [0,1,0,0,0,0|1,0,1]=3 284 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.3 C=CC(=O)C(=O)O CHEBI:74021 [0,1,0,0,0,0|0,0,3]=4 287 B6R0.3 CC(=C)C(=O)OC CHEBI:34840 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.3 CC(=O)C(=O)OC CHEBI:51850 [0,1,0,0,0,0|0,0,2]=3 289 B6R0.3 CC(C#N)C(=O)C CHEBI:87599 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.3 CC(C(=O)OC)O CHEBI:83221 [0,1,0,0,0,0|0,0,0]=1 291 B6R0.3 CC(C(CO)O)O CHEBI:131388 [0,1,0,0,0,0|0,0,2]=3 292 B6R0.3 CC(C)C(=O)OC CHEBI:73689 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.3 CC(C)C(CO)O CHEBI:65058 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.3 CC(C=O)C(=O)O CHEBI:16256 [0,1,0,0,0,0|0,0,1]=2 295 B6R0.3 CC(C=O)C(=O)[O-] CHEBI:57700 [0,1,0,0,0,0|0,0,2]=3 296 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,1,0,0,0,0|1,0,0]=2 297 B6R0.3 CC(CN)C(=O)[O-] CHEBI:49096 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,1,0,0,0,0|0,0,0]=1 299 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,1,0,0,0,0|0,0,1]=2 300 B6R0.3 CCC(=C)C(=O)O CHEBI:84978 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.3 CCC(=C)C(=O)[O-] CHEBI:84979 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.3 CCC(=N)C(=O)O CHEBI:76872 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 CCC(=O)C(=O)C CHEBI:52774 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.3 CCC(=O)C(=O)O CHEBI:30831 [0,1,0,0,0,0|0,0,2]=3 305 B6R0.3 CCC(=O)C(=O)[O-] CHEBI:16763 [0,1,0,0,0,0|0,0,3]=4 306 B6R0.3 CCC(=[NH2+])C(=O)[O-] CHEBI:76545 [0,1,0,0,0,0|1,0,2]=4 307 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,1,0,0,0,0|1,0,0]=2 308 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,1,0,0,0,0|0,0,0]=1 309 B6R0.3 CCC(C(=O)[O-])N CHEBI:86508 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 CCC(C(=O)[O-])O CHEBI:64552 [0,1,0,0,0,0|0,0,1]=2 311 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.3 CCC(C)C(=O)[O-] CHEBI:48946 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.3 CCC(C)C(=O)[O-] CHEBI:68632 [0,1,0,0,0,0|1,0,1]=3 314 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,1,0,0,0,0|1,0,0]=2 316 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,1,0,0,0,0|0,0,0]=1 317 B6R0.3 CC[C@@H](C(=O)[O-])N CHEBI:28340 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.3 CC[C@@H](C(=O)[O-])O CHEBI:73709 [0,1,0,0,0,0|0,0,1]=2 319 B6R0.3 CC[C@@H](C(=O)[O-])[NH3+] CHEBI:74359 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,1,0,0,0,0|1,0,0]=2 321 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,1,0,0,0,0|0,0,0]=1 323 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.3 CN(C(=O)N)N=O CHEBI:50102 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.3 C[C@@H](C(=O)O)NC CHEBI:17519 [0,1,0,0,0,0|1,0,0]=2 326 B6R0.3 C[C@@H](C(=O)OC)O CHEBI:83222 [0,1,0,0,0,0|0,0,0]=1 327 B6R0.3 C[C@@H](C(=O)[O-])[NH2+]C CHEBI:58175 [0,1,0,0,0,0|1,0,1]=3 328 B6R0.3 C[C@@H](C=O)C(=O)O CHEBI:27821 [0,1,0,0,0,0|0,0,1]=2 329 B6R0.3 C[C@@H](C=O)C(=O)[O-] CHEBI:62413 [0,1,0,0,0,0|0,0,2]=3 330 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,1,0,0,0,0|1,0,0]=2 331 B6R0.3 C[C@@H](CN)C(=O)[O-] CHEBI:18188 [0,1,0,0,0,0|1,0,1]=3 332 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,1,0,0,0,0|0,0,0]=1 333 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,1,0,0,0,0|0,0,1]=2 334 B6R0.3 C[C@@H](C[NH3+])C(=O)[O-] CHEBI:58655 [0,1,0,0,0,0|1,0,1]=3 335 B6R0.3 C[C@H](C(=O)OC)O CHEBI:74611 [0,1,0,0,0,0|0,0,0]=1 336 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.3 C[C@H](CN)C(=O)[O-] CHEBI:49097 [0,1,0,0,0,0|1,0,1]=3 338 B6R0.3 C[C@H](C[NH3+])C(=O)[O-] CHEBI:57731 [0,1,0,0,0,0|1,0,1]=3 339 B6R0.3 C\C(=N\O)\C(=O)O CHEBI:15730 [0,1,0,0,0,0|0,0,1]=2 340 B6R0.3 C\C(=N\O)\C(=O)[O-] CHEBI:57487 [0,1,0,0,0,0|0,0,2]=3 341 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:36432 [0,1,0,0,0,0|1,0,1]=3 342 B6R0.3 C\C=C(/C)\C(=O)O CHEBI:9592 [0,1,0,0,0,0|1,0,1]=3 343 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [0,1,0,0,0,0|1,0,1]=3 344 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [0,1,0,0,0,0|1,0,1]=3 345 B6R0.3 C\C=C(\C(=O)[O-])/N CHEBI:58739 [0,1,0,0,0,0|1,0,2]=4 346 B6R0.3 C\C=C(\C(=O)[O-])/[NH3+] CHEBI:48306 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.3 C\C=C(\C)/C(=O)O CHEBI:36431 [0,1,0,0,0,0|1,0,1]=3 348 B6R0.3 [*]OC(=O)C([*])N CHEBI:46874 [0,1,0,0,0,0|2,0,0]=3 349 B6R0.7 C(=O)(C(Cl)(Cl)Cl)O CHEBI:30956 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.7 C(=O)(C(Cl)(Cl)Cl)[O-] CHEBI:27455 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.7 C(=O)(C(F)(F)F)Cl CHEBI:29138 [0,1,0,0,0,0|3,0,0]=4 352 B6R0.7 C(=O)(C(F)(F)F)O CHEBI:45892 [0,1,0,0,0,0|2,0,0]=3 353 B6R0.7 C(=O)(C(F)(F)F)[O-] CHEBI:27110 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.7 C(=O)(C(F)(F)F)[O-] CHEBI:63885 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.7 C(=O)(O)P(=O)(O)O CHEBI:127780 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.7 C(=O)([O-])P(=O)(O)[O-] CHEBI:91254 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.7 CC(C)(C(=O)O)N CHEBI:27971 [0,1,0,0,0,0|1,0,0]=2 358 B6R0.7 CC(C)(C(=O)O)O CHEBI:50129 [0,1,0,0,0,0|0,0,0]=1 359 B6R0.7 CC(C)(C(=O)[O-])O CHEBI:19641 [0,1,0,0,0,0|0,0,1]=2 360 B6R0.7 CC(C)(C)C(=O)O CHEBI:45133 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.7 CC(C)(C)C(=O)[O-] CHEBI:63883 [0,1,0,0,0,0|1,0,1]=3 362 B6R0.7 CC(C)(C)C(=O)[O-] CHEBI:63894 [0,1,0,0,0,0|1,0,1]=3 363 B6R0.7 CC(C)S(=O)(=O)O CHEBI:62079 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.7 CC(C)S(=O)(=O)[O-] CHEBI:62080 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.7 C[C@H](N)P(=O)(O)O CHEBI:4075 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.7 OS(=O)S(=O)(=O)O CHEBI:29252 [0,1,0,0,0,0|3,0,0]=4 367 B6R1.11 C1CC1C(=O)N CHEBI:51457 [0,0,0,1,0,0|2,0,0]=3 368 B6R1.11 C1CC1C(=O)O CHEBI:23500 [0,0,0,1,0,0|1,0,0]=2 369 B6R1.11 C1CC1C(=O)[O-] CHEBI:36128 [0,0,0,1,0,0|1,0,1]=3 370 B6R0.2 C(=O)(N)NC(=O)O CHEBI:9889 [0,0,0,0,0,1|1,0,2]=4 371 B6R0.2 C(=O)(O)OC(=O)O CHEBI:48501 [0,0,0,0,0,1|1,0,1]=3 372 B6R0.2 C(C(=O)N)C(=O)O CHEBI:43991 [0,0,0,0,0,1|1,0,2]=4 373 B6R0.2 C(C(=O)O)C(=O)O CHEBI:30794 [0,0,0,0,0,1|1,0,1]=3 374 B6R0.2 C(C(=O)O)C(=O)[O-] CHEBI:30795 [0,0,0,0,0,1|1,0,2]=4 375 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [0,0,0,0,0,1|0,0,2]=3 376 B6R0.2 CC(=CC(=O)O)C CHEBI:37127 [0,0,0,0,0,1|1,0,1]=3 377 B6R0.2 CC(=O)CC(=O)C CHEBI:14750 [0,0,0,0,0,1|1,0,2]=4 378 B6R0.2 CC(=O)CC(=O)N CHEBI:28515 [0,0,0,0,0,1|1,0,2]=4 379 B6R0.2 CC(=O)CC(=O)O CHEBI:15344 [0,0,0,0,0,1|0,0,2]=3 380 B6R0.2 CC(=O)CC(=O)[O-] CHEBI:13705 [0,0,0,0,0,1|0,0,3]=4 381 B6R0.2 CC(=O)OC(=O)C CHEBI:36610 [0,0,0,0,0,1|1,0,2]=4 382 B6R0.2 CC(=O)[CH-]C(=O)C CHEBI:30395 [0,0,0,0,0,1|1,0,2]=4 383 B6R0.2 CC(C)CC(=O)O CHEBI:28484 [0,0,0,0,0,1|1,0,0]=2 384 B6R0.2 CC(C)CC(=O)[O-] CHEBI:48942 [0,0,0,0,0,1|1,0,1]=3 385 B6R0.2 CC(CC(=O)O)N CHEBI:37081 [0,0,0,0,0,1|1,0,0]=2 386 B6R0.2 CC(CC(=O)O)O CHEBI:20067 [0,0,0,0,0,1|0,0,0]=1 387 B6R0.2 CC(CC(=O)[O-])N CHEBI:87997 [0,0,0,0,0,1|1,0,1]=3 388 B6R0.2 CC(CC(=O)[O-])O CHEBI:113373 [0,0,0,0,0,1|0,0,1]=2 389 B6R0.2 CC(CC(=O)[O-])O CHEBI:37054 [0,0,0,0,0,1|0,0,1]=2 390 B6R0.2 CN(C)CC(=O)O CHEBI:17724 [0,0,0,0,0,1|2,0,0]=3 391 B6R0.2 C[C@@H](CC(=O)O)O CHEBI:17290 [0,0,0,0,0,1|0,0,0]=1 392 B6R0.2 C[C@@H](CC(=O)[O-])O CHEBI:11047 [0,0,0,0,0,1|0,0,1]=2 393 B6R0.2 C[C@H](CC(=O)O)O CHEBI:17066 [0,0,0,0,0,1|0,0,0]=1 394 B6R0.2 C[C@H](CC(=O)[O-])O CHEBI:10983 [0,0,0,0,0,1|0,0,1]=2 395 B6R0.2 C[NH+](C)CC(=O)[O-] CHEBI:58251 [0,0,0,0,0,1|2,0,1]=4 396 B6R0.2 C[S+](C)CC(=O)O CHEBI:4623 [0,0,0,0,0,1|2,0,0]=3 397 B6R0.2 C[S+](C)CC(=O)[O-] CHEBI:16471 [0,0,0,0,0,1|2,0,1]=4 398 B6R0.2 C\C(=C/C(=O)C)\N CHEBI:51695 [0,0,0,0,0,1|2,0,1]=4 399 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51692 [0,0,0,0,0,1|2,0,1]=4 400 B6R0.2 C\C(=C\C(=O)C)\N CHEBI:51693 [0,0,0,0,0,1|2,0,1]=4 401 B6R0.2 C\C(=C\C(=O)C)\O CHEBI:131370 [0,0,0,0,0,1|1,0,1]=3 402 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,0,0,0,0,1|0,0,1]=2 403 B6R0.2 OP(=O)OP(=O)O CHEBI:29205 [0,0,0,0,0,1|3,0,0]=4 404 B3R0.1 B(BO)O CHEBI:38274 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.1 C#CC=O CHEBI:27976 [2,0,0,0,0,0|0,0,2]=4 406 B3R0.1 C#CCO CHEBI:28905 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 C(=C/O)/O CHEBI:131198 [2,0,0,0,0,0|0,0,1]=3 408 B3R0.1 C(=O)C=O CHEBI:34779 [2,0,0,0,0,0|0,0,2]=4 409 B3R0.1 C(C=O)Cl CHEBI:27871 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.1 C(C=O)F CHEBI:14272 [2,0,0,0,0,0|1,0,0]=3 411 B3R0.1 C(C=O)N CHEBI:17628 [2,0,0,0,0,0|1,0,0]=3 412 B3R0.1 C(C=O)O CHEBI:17071 [2,0,0,0,0,0|0,0,0]=2 413 B3R0.1 C(C=O)[NH3+] CHEBI:58213 [2,0,0,0,0,0|1,0,0]=3 414 B3R0.1 C(CCl)O CHEBI:28200 [2,0,0,0,0,0|1,0,1]=4 415 B3R0.1 C(CO)N CHEBI:16000 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.1 C(CO)O CHEBI:30742 [2,0,0,0,0,0|0,0,1]=3 417 B3R0.1 C(CO)[NH3+] CHEBI:57603 [2,0,0,0,0,0|1,0,1]=4 418 B3R0.1 C(CO)[NH3+] CHEBI:63878 [2,0,0,0,0,0|1,0,1]=4 419 B3R0.1 C(CS)O CHEBI:41218 [2,0,0,0,0,0|0,1,1]=4 420 B3R0.1 C=CC=O CHEBI:15368 [2,0,0,0,0,0|0,0,2]=4 421 B3R0.1 C=CCO CHEBI:16605 [2,0,0,0,0,0|1,0,0]=3 422 B3R0.1 CCC#C CHEBI:48087 [2,0,0,0,0,0|1,0,1]=4 423 B3R0.1 CCC#N CHEBI:26307 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.1 CCC=C CHEBI:48362 [2,0,0,0,0,0|1,0,0]=3 425 B3R0.1 CCC=O CHEBI:17153 [2,0,0,0,0,0|0,0,0]=2 426 B3R0.1 CCCBr CHEBI:47105 [2,0,0,0,0,0|1,0,1]=4 427 B3R0.1 CCCC CHEBI:37808 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.1 CCCN CHEBI:39870 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.1 CCCO CHEBI:28831 [2,0,0,0,0,0|0,0,1]=3 430 B3R0.1 CCCP CHEBI:35891 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.1 CCCS CHEBI:8473 [2,0,0,0,0,0|0,1,1]=4 432 B3R0.1 CCC[NH3+] CHEBI:566825 [2,0,0,0,0,0|1,0,1]=4 433 B3R0.1 CCN=O CHEBI:50722 [2,0,0,0,0,0|1,0,0]=3 434 B3R0.1 CCOC CHEBI:39832 [2,0,0,0,0,0|2,0,0]=4 435 B3R0.1 CC[Mg]Cl CHEBI:51239 [2,0,0,0,0,0|2,0,0]=4 436 B3R0.1 CN=C=O CHEBI:59059 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.1 CNC=O CHEBI:7438 [2,0,0,0,0,0|1,0,0]=3 438 B3R0.1 COC=O CHEBI:77699 [2,0,0,0,0,0|1,0,0]=3 439 B3R0.1 COCO CHEBI:46791 [2,0,0,0,0,0|1,0,1]=4 440 B3R0.1 C\C=C/C CHEBI:48366 [2,0,0,0,0,0|1,0,1]=4 441 B3R0.1 C\C=C\C CHEBI:48363 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.1 C\C=C\C CHEBI:48365 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.1 C\C=C\S CHEBI:59723 [2,0,0,0,0,0|0,1,1]=4 444 B3R0.1 C\C=N/O CHEBI:50719 [2,0,0,0,0,0|1,0,1]=4 445 B3R0.1 C\C=N\O CHEBI:28465 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.1 C\C=N\O CHEBI:50718 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.1 N(=NO)O CHEBI:14428 [2,0,0,0,0,0|2,0,0]=4 448 B3R0.1 N(=O)OO CHEBI:25942 [2,0,0,0,0,0|2,0,0]=4 449 B3R0.1 OSSO CHEBI:35921 [2,0,0,0,0,0|2,0,0]=4 450 B3R0.1 [*]\C=N/O CHEBI:22307 [2,0,0,0,0,0|2,0,0]=4 451 B3R0.1 [C](=O)OO CHEBI:29790 [2,0,0,0,0,0|1,0,1]=4 452 B3R0.2 B(C)(C)O CHEBI:38276 [2,0,0,0,0,0|1,0,1]=4 453 B3R0.2 B(O)(O)O CHEBI:33118 [2,0,0,0,0,0|1,0,1]=4 454 B3R0.2 B(O)(O)[O-] CHEBI:29254 [2,0,0,0,0,0|1,0,1]=4 455 B3R0.2 C(=N)(N)O CHEBI:48376 [2,0,0,0,0,0|2,0,0]=4 456 B3R0.2 C(=O)(Cl)Cl CHEBI:29365 [2,0,0,0,0,0|2,0,0]=4 457 B3R0.2 C(=O)(N)N CHEBI:16199 [2,0,0,0,0,0|2,0,0]=4 458 B3R0.2 C(=O)(N)N CHEBI:75178 [2,0,0,0,0,0|2,0,0]=4 459 B3R0.2 C(=O)(N)O CHEBI:28616 [2,0,0,0,0,0|1,0,0]=3 460 B3R0.2 C(=O)(N)[O-] CHEBI:13941 [2,0,0,0,0,0|1,0,1]=4 461 B3R0.2 C(=O)(O)O CHEBI:28976 [2,0,0,0,0,0|0,0,0]=2 462 B3R0.2 C(=O)(O)S CHEBI:36959 [2,0,0,0,0,0|0,1,0]=3 463 B3R0.2 C(=O)(O)[O-] CHEBI:17544 [2,0,0,0,0,0|0,0,1]=3 464 B3R0.2 C(=O)(O)[O-] CHEBI:32139 [2,0,0,0,0,0|0,0,1]=3 465 B3R0.2 C(=O)(O)[O-] CHEBI:81862 [2,0,0,0,0,0|0,0,1]=3 466 B3R0.2 C(=O)(O)[O] CHEBI:29789 [2,0,0,0,0,0|0,0,1]=3 467 B3R0.2 C(=O)(S)S CHEBI:36966 [2,0,0,0,0,0|0,2,0]=4 468 B3R0.2 C(=O)([O-])[O-] CHEBI:131526 [2,0,0,0,0,0|0,0,2]=4 469 B3R0.2 C(=O)([O-])[O-] CHEBI:29377 [2,0,0,0,0,0|0,0,2]=4 470 B3R0.2 C(=O)([O-])[O-] CHEBI:31793 [2,0,0,0,0,0|0,0,2]=4 471 B3R0.2 C(=O)([O-])[O-] CHEBI:3311 [2,0,0,0,0,0|0,0,2]=4 472 B3R0.2 C(=O)([O-])[O-] CHEBI:41609 [2,0,0,0,0,0|0,0,2]=4 473 B3R0.2 C(=O)([O-])[O-] CHEBI:6504 [2,0,0,0,0,0|0,0,2]=4 474 B3R0.2 C(=O)([O-])[O-] CHEBI:86235 [2,0,0,0,0,0|0,0,2]=4 475 B3R0.2 C(=O)([O-])[O] CHEBI:29376 [2,0,0,0,0,0|0,0,2]=4 476 B3R0.2 C(=S)(O)O CHEBI:36958 [2,0,0,0,0,0|0,1,0]=3 477 B3R0.2 C(=S)(O)S CHEBI:36965 [2,0,0,0,0,0|0,2,0]=4 478 B3R0.2 CC(=C)C CHEBI:43907 [2,0,0,0,0,0|1,0,1]=4 479 B3R0.2 CC(=N)N CHEBI:38478 [2,0,0,0,0,0|2,0,0]=4 480 B3R0.2 CC(=N)O CHEBI:49028 [2,0,0,0,0,0|1,0,0]=3 481 B3R0.2 CC(=O)C CHEBI:15347 [2,0,0,0,0,0|1,0,0]=3 482 B3R0.2 CC(=O)Cl CHEBI:37580 [2,0,0,0,0,0|1,0,0]=3 483 B3R0.2 CC(=O)N CHEBI:27856 [2,0,0,0,0,0|1,0,0]=3 484 B3R0.2 CC(=O)O CHEBI:132481 [2,0,0,0,0,0|0,0,0]=2 485 B3R0.2 CC(=O)O CHEBI:15366 [2,0,0,0,0,0|0,0,0]=2 486 B3R0.2 CC(=O)S CHEBI:16555 [2,0,0,0,0,0|0,1,0]=3 487 B3R0.2 CC(=O)[O-] CHEBI:30089 [2,0,0,0,0,0|0,0,1]=3 488 B3R0.2 CC(=O)[O-] CHEBI:32029 [2,0,0,0,0,0|0,0,1]=3 489 B3R0.2 CC(=O)[O-] CHEBI:32138 [2,0,0,0,0,0|0,0,1]=3 490 B3R0.2 CC(=O)[O-] CHEBI:32954 [2,0,0,0,0,0|0,0,1]=3 491 B3R0.2 CC(=O)[O-] CHEBI:3310 [2,0,0,0,0,0|0,0,1]=3 492 B3R0.2 CC(=O)[O-] CHEBI:59199 [2,0,0,0,0,0|0,0,1]=3 493 B3R0.2 CC(=O)[O-] CHEBI:62947 [2,0,0,0,0,0|0,0,1]=3 494 B3R0.2 CC(=O)[O-] CHEBI:62964 [2,0,0,0,0,0|0,0,1]=3 495 B3R0.2 CC(=O)[O-] CHEBI:62984 [2,0,0,0,0,0|0,0,1]=3 496 B3R0.2 CC(=O)[O-] CHEBI:63045 [2,0,0,0,0,0|0,0,1]=3 497 B3R0.2 CC(=O)[O-] CHEBI:63078 [2,0,0,0,0,0|0,0,1]=3 498 B3R0.2 CC(=O)[O-] CHEBI:63879 [2,0,0,0,0,0|0,0,1]=3 499 B3R0.2 CC(=O)[O-] CHEBI:75192 [2,0,0,0,0,0|0,0,1]=3 500 B3R0.2 CC(=O)[O-] CHEBI:85138 [2,0,0,0,0,0|0,0,1]=3 501 B3R0.2 CC(=O)[S-] CHEBI:30320 [2,0,0,0,0,0|0,1,0]=3 502 B3R0.2 CC(=S)C CHEBI:36580 [2,0,0,0,0,0|1,1,0]=4 503 B3R0.2 CC(=S)N CHEBI:32497 [2,0,0,0,0,0|1,1,0]=4 504 B3R0.2 CC(=S)O CHEBI:46800 [2,0,0,0,0,0|0,1,0]=3 505 B3R0.2 CC(C)C CHEBI:30363 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.2 CC(C)N CHEBI:15739 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.2 CC(C)O CHEBI:17824 [2,0,0,0,0,0|0,0,1]=3 508 B3R0.2 CC(C)S CHEBI:8474 [2,0,0,0,0,0|0,1,1]=4 509 B3R0.2 CC(C)[NH3+] CHEBI:57492 [2,0,0,0,0,0|1,0,1]=4 510 B3R0.2 CS(=O)C CHEBI:28262 [2,0,0,0,0,0|2,0,0]=4 511 B3R0.2 CS(=O)O CHEBI:133897 [2,0,0,0,0,0|1,0,0]=3 512 B3R0.2 CS(=O)[O-] CHEBI:133603 [2,0,0,0,0,0|1,0,1]=4 513 B3R0.2 C[As](C)O CHEBI:23808 [2,0,0,0,0,0|1,0,1]=4 514 B3R0.2 C[As](O)O CHEBI:17826 [2,0,0,0,0,0|1,0,0]=3 515 B3R0.2 C[N+](=O)[O-] CHEBI:77701 [2,0,0,0,0,0|1,0,1]=4 516 B3R0.2 C[Se](=O)O CHEBI:77012 [2,0,0,0,0,0|1,0,0]=3 517 B3R0.2 NP(O)O CHEBI:59748 [2,0,0,0,0,0|2,0,0]=4 518 B3R0.2 OBr(=O)=O CHEBI:49382 [2,0,0,0,0,0|1,0,1]=4 519 B3R0.2 OCl(=O)=O CHEBI:17322 [2,0,0,0,0,0|1,0,1]=4 520 B3R0.2 OI(=O)=O CHEBI:24857 [2,0,0,0,0,0|1,0,1]=4 521 B3R0.2 OP(=O)O CHEBI:44976 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.2 OP(=O)[O-] CHEBI:33462 [2,0,0,0,0,0|1,0,1]=4 523 B3R0.2 OP(=S)O CHEBI:50151 [2,0,0,0,0,0|1,1,0]=4 524 B3R0.2 OP(O)O CHEBI:36361 [2,0,0,0,0,0|1,0,1]=4 525 B3R0.2 OP(O)[O-] CHEBI:29258 [2,0,0,0,0,0|1,0,1]=4 526 B3R0.2 OS(=O)=O CHEBI:29214 [2,0,0,0,0,0|1,0,1]=4 527 B3R0.2 OS(=O)O CHEBI:48854 [2,0,0,0,0,0|1,0,0]=3 528 B3R0.2 OS(=O)S CHEBI:35926 [2,0,0,0,0,0|1,1,0]=4 529 B3R0.2 OS(=O)[O-] CHEBI:17137 [2,0,0,0,0,0|1,0,1]=4 530 B3R0.2 OS(=O)[O-] CHEBI:26709 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.2 OS(=O)[S-] CHEBI:35945 [2,0,0,0,0,0|1,1,0]=4 532 B3R0.2 OS(=S)O CHEBI:50152 [2,0,0,0,0,0|1,1,0]=4 533 B3R0.2 O[Al](O)O CHEBI:33130 [2,0,0,0,0,0|1,0,1]=4 534 B3R0.2 O[AsH](=O)O CHEBI:29850 [2,0,0,0,0,0|1,0,0]=3 535 B3R0.2 O[AsH](=O)[O-] CHEBI:64448 [2,0,0,0,0,0|1,0,1]=4 536 B3R0.2 O[As](O)O CHEBI:49900 [2,0,0,0,0,0|1,0,1]=4 537 B3R0.2 O[As](O)[O-] CHEBI:29242 [2,0,0,0,0,0|1,0,1]=4 538 B3R0.2 O[SbH](=O)O CHEBI:30298 [2,0,0,0,0,0|1,0,0]=3 539 B3R0.2 O[Sb](O)O CHEBI:49870 [2,0,0,0,0,0|1,0,1]=4 540 B3R0.2 O[SeH](=O)=O CHEBI:29217 [2,0,0,0,0,0|1,0,1]=4 541 B3R0.2 O[Se](=O)O CHEBI:26642 [2,0,0,0,0,0|1,0,0]=3 542 B3R0.2 O[Se](=O)[O-] CHEBI:29924 [2,0,0,0,0,0|1,0,1]=4 543 B3R0.2 O[TeH](=O)=O CHEBI:30466 [2,0,0,0,0,0|1,0,1]=4 544 B3R0.2 O[Te](=O)O CHEBI:30465 [2,0,0,0,0,0|1,0,0]=3 545 B3R0.2 O[Te](=O)[O-] CHEBI:33522 [2,0,0,0,0,0|1,0,1]=4 546 B3R0.2 [*]B(O)O CHEBI:38269 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.2 [*]C(=O)O CHEBI:33575 [2,0,0,0,0,0|1,0,0]=3 548 B3R0.2 [*]C(=O)[*] CHEBI:17087 [2,0,0,0,0,0|2,0,0]=4 549 B3R0.2 [*]C(=O)[O-] CHEBI:78892 [2,0,0,0,0,0|1,0,1]=4 550 B3R0.2 [*]C(=O)[O-] CHEBI:78893 [2,0,0,0,0,0|1,0,1]=4 551 B3R0.2 [*]C(=O)[O-] CHEBI:90582 [2,0,0,0,0,0|1,0,1]=4 552 B3R0.2 [*]C(O)O CHEBI:63733 [2,0,0,0,0,0|1,0,0]=3 553 B3R0.2 [13C](=O)(N)N CHEBI:32285 [2,0,0,0,0,0|2,0,0]=4 554 B3R0.2 [Li]C(=C)C CHEBI:51485 [2,0,0,0,0,0|1,0,1]=4 555 B3R0.2 [N+](=O)(O)[O-] CHEBI:48107 [2,0,0,0,0,0|1,0,1]=4 556 B3R0.2 [NH+](O)(O)[O-] CHEBI:37769 [2,0,0,0,0,0|1,0,1]=4 557 B5R0.1 C#CCC(=O)O CHEBI:1461 [1,1,0,0,0,0|0,0,1]=3 558 B5R0.1 C#CCC(=O)[O-] CHEBI:62211 [1,1,0,0,0,0|0,0,2]=4 559 B5R0.1 C(=C/N)/C(=O)O CHEBI:59893 [1,1,0,0,0,0|0,0,2]=4 560 B5R0.1 C(=C\Cl)/C(=O)O CHEBI:19982 [1,1,0,0,0,0|0,0,2]=4 561 B5R0.1 C(C#N)C(=O)O CHEBI:51889 [1,1,0,0,0,0|0,0,1]=3 562 B5R0.1 C(C(=O)O)NO CHEBI:38049 [1,1,0,0,0,0|0,0,0]=2 563 B5R0.1 C(C=O)C(=O)O CHEBI:17960 [1,1,0,0,0,0|0,0,1]=3 564 B5R0.1 C(C=O)C(=O)[O-] CHEBI:33190 [1,1,0,0,0,0|0,0,2]=4 565 B5R0.1 C(CN)C(=O)N CHEBI:55360 [1,1,0,0,0,0|1,0,0]=3 566 B5R0.1 C(CN)C(=O)O CHEBI:16958 [1,1,0,0,0,0|0,0,0]=2 567 B5R0.1 C(CN)C(=O)[O-] CHEBI:63070 [1,1,0,0,0,0|0,0,1]=3 568 B5R0.1 C(CO)C(=O)O CHEBI:33404 [1,1,0,0,0,0|0,0,0]=2 569 B5R0.1 C(CO)C(=O)[O-] CHEBI:16510 [1,1,0,0,0,0|0,0,1]=3 570 B5R0.1 C(CS(=O)O)N CHEBI:16668 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.1 C(CS(=O)[O-])[NH3+] CHEBI:57853 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.1 C(CS)C(=O)O CHEBI:44111 [1,1,0,0,0,0|0,0,0]=2 573 B5R0.1 C(CS)C(=O)[O-] CHEBI:86386 [1,1,0,0,0,0|0,0,1]=3 574 B5R0.1 C(C[NH3+])C(=O)N CHEBI:58918 [1,1,0,0,0,0|1,0,0]=3 575 B5R0.1 C(C[NH3+])C(=O)[O-] CHEBI:57966 [1,1,0,0,0,0|0,0,1]=3 576 B5R0.1 C(N)NC(=O)N CHEBI:15609 [1,1,0,0,0,0|2,0,0]=4 577 B5R0.1 C(NC(=O)N)O CHEBI:16481 [1,1,0,0,0,0|1,0,0]=3 578 B5R0.1 C(N[N+](=O)[O-])O CHEBI:24722 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.1 C([NH3+])NC(=O)N CHEBI:57431 [1,1,0,0,0,0|2,0,0]=4 580 B5R0.1 C=CCC(=O)O CHEBI:35897 [1,1,0,0,0,0|0,0,1]=3 581 B5R0.1 C=CCC(=O)[O-] CHEBI:35900 [1,1,0,0,0,0|0,0,2]=4 582 B5R0.1 CC(=C)CCO CHEBI:62898 [1,1,0,0,0,0|2,0,0]=4 583 B5R0.1 CC(=CC=O)C CHEBI:15825 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.1 CC(=CCO)C CHEBI:16019 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.1 CC(=O)CC=C CHEBI:87508 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.1 CC(=O)CCO CHEBI:41268 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.1 CC(C)CC=O CHEBI:16638 [1,1,0,0,0,0|1,0,0]=3 588 B5R0.1 CC(C)CCO CHEBI:15837 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.1 CC(C)CNO CHEBI:131928 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.1 CC(C)\C=C\O CHEBI:77922 [1,1,0,0,0,0|1,0,0]=3 591 B5R0.1 CC(C)\C=N/O CHEBI:61144 [1,1,0,0,0,0|1,0,0]=3 592 B5R0.1 CC(C)\C=N\O CHEBI:17502 [1,1,0,0,0,0|1,0,0]=3 593 B5R0.1 CC(C)\C=N\O CHEBI:61143 [1,1,0,0,0,0|1,0,0]=3 594 B5R0.1 CC(CCO)O CHEBI:52683 [1,1,0,0,0,0|0,0,1]=3 595 B5R0.1 CC=CC(=O)C CHEBI:89540 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.1 CCCC(=O)C CHEBI:16472 [1,1,0,0,0,0|1,0,0]=3 597 B5R0.1 CCCC(=O)N CHEBI:50724 [1,1,0,0,0,0|1,0,0]=3 598 B5R0.1 CCCC(=O)O CHEBI:30772 [1,1,0,0,0,0|0,0,0]=2 599 B5R0.1 CCCC(=O)[O-] CHEBI:17968 [1,1,0,0,0,0|0,0,1]=3 600 B5R0.1 CCCC(=O)[O-] CHEBI:64103 [1,1,0,0,0,0|0,0,1]=3 601 B5R0.1 CCCC(C)O CHEBI:77518 [1,1,0,0,0,0|1,0,1]=4 602 B5R0.1 CCC[N+](=O)[O-] CHEBI:76261 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.1 CCNC(=O)C CHEBI:87370 [1,1,0,0,0,0|1,0,0]=3 604 B5R0.1 CCOC(=O)C CHEBI:27750 [1,1,0,0,0,0|1,0,0]=3 605 B5R0.1 CCOC(=O)N CHEBI:17967 [1,1,0,0,0,0|1,0,0]=3 606 B5R0.1 CCOC(=O)O CHEBI:50849 [1,1,0,0,0,0|0,0,0]=2 607 B5R0.1 CCOP(=O)O CHEBI:40926 [1,1,0,0,0,0|1,0,0]=3 608 B5R0.1 CCOP(=O)[O-] CHEBI:84033 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.1 CNCC(=O)O CHEBI:15611 [1,1,0,0,0,0|0,0,0]=2 610 B5R0.1 CNCC(=O)[O-] CHEBI:46915 [1,1,0,0,0,0|0,0,1]=3 611 B5R0.1 COCC(=O)O CHEBI:132098 [1,1,0,0,0,0|0,0,0]=2 612 B5R0.1 COCC(=O)[O-] CHEBI:132096 [1,1,0,0,0,0|0,0,1]=3 613 B5R0.1 COCC(=O)[O-] CHEBI:132097 [1,1,0,0,0,0|0,0,1]=3 614 B5R0.1 CSCC(=O)O CHEBI:47870 [1,1,0,0,0,0|0,0,0]=2 615 B5R0.1 CSCC(=O)[O-] CHEBI:18071 [1,1,0,0,0,0|0,0,1]=3 616 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [1,1,0,0,0,0|0,0,1]=3 617 B5R0.1 C[C@H](CCO)O CHEBI:52687 [1,1,0,0,0,0|0,0,1]=3 618 B5R0.1 C[NH2+]CC(=O)O CHEBI:46842 [1,1,0,0,0,0|0,0,0]=2 619 B5R0.1 C[NH2+]CC(=O)[O-] CHEBI:57433 [1,1,0,0,0,0|0,0,1]=3 620 B5R0.1 C\C=C/C(=O)O CHEBI:36253 [1,1,0,0,0,0|0,0,1]=3 621 B5R0.1 C\C=C/C(=O)[O-] CHEBI:36254 [1,1,0,0,0,0|0,0,2]=4 622 B5R0.1 C\C=C\C(=O)O CHEBI:17217 [1,1,0,0,0,0|0,0,1]=3 623 B5R0.1 C\C=C\C(=O)O CHEBI:41131 [1,1,0,0,0,0|0,0,1]=3 624 B5R0.1 C\C=C\C(=O)[O-] CHEBI:35899 [1,1,0,0,0,0|0,0,2]=4 625 B5R0.1 C\C=C\C(=O)[O-] CHEBI:36258 [1,1,0,0,0,0|0,0,2]=4 626 B5R0.1 [*]C(=O)NO[*] CHEBI:75606 [1,1,0,0,0,0|2,0,0]=4 627 B5R0.1 [*]C(=O)OCC CHEBI:13209 [1,1,0,0,0,0|1,0,0]=3 628 B5R0.1 [Li]C(=C)OCC CHEBI:59557 [1,1,0,0,0,0|2,0,0]=4 629 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [1,1,0,0,0,0|0,0,1]=3 630 B5R0.3 C(C(=O)CO)O CHEBI:16016 [1,1,0,0,0,0|0,0,0]=2 631 B5R0.3 C(C(=O)NO)N CHEBI:75426 [1,1,0,0,0,0|1,0,0]=3 632 B5R0.3 C(C(C=O)O)O CHEBI:15693 [1,1,0,0,0,0|0,0,0]=2 633 B5R0.3 C(C(C=O)O)O CHEBI:5445 [1,1,0,0,0,0|0,0,0]=2 634 B5R0.3 C(C(CBr)O)O CHEBI:18719 [1,1,0,0,0,0|0,0,1]=3 635 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [1,1,0,0,0,0|1,0,1]=4 636 B5R0.3 C(C(CCl)O)O CHEBI:18721 [1,1,0,0,0,0|0,0,1]=3 637 B5R0.3 C(C(CO)O)O CHEBI:17522 [1,1,0,0,0,0|0,0,1]=3 638 B5R0.3 C(C(CO)O)O CHEBI:17754 [1,1,0,0,0,0|0,0,1]=3 639 B5R0.3 C(C(CS)O)O CHEBI:74537 [1,1,0,0,0,0|0,0,1]=3 640 B5R0.3 C(C(CS)S)O CHEBI:64198 [1,1,0,0,0,0|0,1,1]=4 641 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [1,1,0,0,0,0|0,0,0]=2 642 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [1,1,0,0,0,0|0,0,0]=2 643 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [1,1,0,0,0,0|0,0,1]=3 644 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [1,1,0,0,0,0|0,0,1]=3 645 B5R0.3 CCC(=O)CC CHEBI:87755 [1,1,0,0,0,0|1,0,0]=3 646 B5R0.3 CCC(C)C=O CHEBI:16182 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.3 CCC(C)CO CHEBI:48945 [1,1,0,0,0,0|1,0,1]=4 648 B5R0.3 CCC(CC)O CHEBI:77519 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.3 CCC(CO)O CHEBI:52682 [1,1,0,0,0,0|0,0,1]=3 650 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [1,1,0,0,0,0|1,0,1]=4 651 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [1,1,0,0,0,0|1,0,1]=4 652 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [1,1,0,0,0,0|0,0,1]=3 653 B5R0.3 CC[C@H](C)CO CHEBI:50625 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.3 CC[C@H](CO)O CHEBI:52685 [1,1,0,0,0,0|0,0,1]=3 655 B5R0.3 CNC(=O)CS CHEBI:38731 [1,1,0,0,0,0|1,1,0]=4 656 B5R0.3 CNC(=O)NC CHEBI:80472 [1,1,0,0,0,0|2,0,0]=4 657 B5R0.3 COC(=O)CN CHEBI:87375 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.3 COC(=O)OC CHEBI:36596 [1,1,0,0,0,0|1,0,0]=3 659 B5R0.3 COS(=O)OC CHEBI:48858 [1,1,0,0,0,0|2,0,0]=4 660 B5R0.3 CO[Se](=O)OC CHEBI:48842 [1,1,0,0,0,0|2,0,0]=4 661 B5R0.3 C\C(=N\O)\SC CHEBI:38534 [1,1,0,0,0,0|2,0,0]=4 662 B5R0.4 C(=O)C(Cl)(Cl)Cl CHEBI:48814 [1,1,0,0,0,0|2,0,0]=4 663 B5R0.4 C(=O)[Si](O)(O)O CHEBI:24098 [1,1,0,0,0,0|1,1,0]=4 664 B5R0.4 C(N)P(=O)(O)O CHEBI:28812 [1,1,0,0,0,0|2,0,0]=4 665 B5R0.4 C(O)P(=O)(O)O CHEBI:5810 [1,1,0,0,0,0|1,0,0]=3 666 B5R0.4 C(O)P(=O)(O)[O-] CHEBI:71199 [1,1,0,0,0,0|1,0,0]=3 667 B5R0.4 C(O)[Si](O)(O)O CHEBI:24725 [1,1,0,0,0,0|0,1,1]=4 668 B5R0.4 CC(C)(C#N)O CHEBI:15348 [1,1,0,0,0,0|1,0,1]=4 669 B5R0.4 CC(C)(C)OO CHEBI:64090 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.4 CC(C)(C=C)O CHEBI:132752 [1,1,0,0,0,0|1,0,0]=3 671 B5R0.4 CC(C)(C=O)O CHEBI:131846 [1,1,0,0,0,0|0,0,0]=2 672 B5R0.4 CC(C)(CO)O CHEBI:131845 [1,1,0,0,0,0|0,0,1]=3 673 B5R0.4 CCC(C)(C)O CHEBI:132750 [1,1,0,0,0,0|1,0,1]=4 674 B5R0.4 CCS(=O)(=O)O CHEBI:42465 [1,1,0,0,0,0|1,0,0]=3 675 B5R0.4 CCS(=O)(=O)[O-] CHEBI:61909 [1,1,0,0,0,0|1,0,1]=4 676 B5R0.4 COP(=O)(O)O CHEBI:340824 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.4 COS(=O)(=O)O CHEBI:17760 [1,1,0,0,0,0|2,0,0]=4 678 B5R0.4 C[Si](C=O)(O)O CHEBI:24096 [1,1,0,0,0,0|0,1,0]=3 679 B5R0.4 C[Si](CO)(O)O CHEBI:24720 [1,1,0,0,0,0|0,1,1]=4 680 B5R0.4 OOP(=O)(O)O CHEBI:29282 [1,1,0,0,0,0|2,0,0]=4 681 B5R0.4 OOS(=O)(=O)O CHEBI:29286 [1,1,0,0,0,0|2,0,0]=4 682 B5R0.4 [*]C([*])([*])C=O CHEBI:60379 [1,1,0,0,0,0|2,0,0]=4 683 B7R0.2 C(C(=O)O)N(C=O)O CHEBI:43040 [0,1,0,0,0,1|1,0,1]=4 684 B7R0.2 C(C(CN)O)C(=O)O CHEBI:16080 [0,1,0,0,0,1|0,0,0]=2 685 B7R0.2 C(C(CN)O)C(=O)[O-] CHEBI:11955 [0,1,0,0,0,1|0,0,1]=3 686 B7R0.2 C(C(CO)O)C(=O)O CHEBI:86371 [0,1,0,0,0,1|0,0,0]=2 687 B7R0.2 C(C(C[NH3+])O)C(=O)[O-] CHEBI:57630 [0,1,0,0,0,1|0,0,1]=3 688 B7R0.2 C([C@H](CO)N)C(=O)O CHEBI:41011 [0,1,0,0,0,1|1,0,0]=3 689 B7R0.2 CC(C=O)OC(=O)C CHEBI:87544 [0,1,0,0,0,1|1,0,1]=4 690 B7R0.2 CCC(=O)CC(=O)O CHEBI:27401 [0,1,0,0,0,1|0,0,2]=4 691 B7R0.2 CN(CC(=O)O)N=O CHEBI:82363 [0,1,0,0,0,1|1,0,1]=4 692 B7R0.2 C\C(=C/C(=O)OC)\O CHEBI:38726 [0,1,0,0,0,1|0,0,1]=3 693 B7R0.9 C(=O)(O)OP(=O)(O)O CHEBI:90099 [0,1,0,0,0,1|2,0,0]=4 694 B7R0.9 C(C(=O)O)P(=O)(O)O CHEBI:15732 [0,1,0,0,0,1|2,0,0]=4 695 B7R0.9 C(C(=O)O)S(=O)(=O)O CHEBI:50519 [0,1,0,0,0,1|2,0,0]=4 696 B7R0.9 C(C(=O)O)[As](=O)(O)O CHEBI:28506 [0,1,0,0,0,1|2,0,0]=4 697 B7R0.9 CC(=O)CC(C)(C)O CHEBI:55381 [0,1,0,0,0,1|1,0,0]=3 698 B7R0.9 CC(=O)CC(C)(C)S CHEBI:77856 [0,1,0,0,0,1|1,1,0]=4 699 B7R0.9 CC(C)(C)CC(=O)O CHEBI:38647 [0,1,0,0,0,1|1,0,0]=3 700 B7R0.9 CC(C)(CC(=O)O)O CHEBI:37084 [0,1,0,0,0,1|0,0,0]=2 701 B7R0.9 CC(C)(CC(=O)[O-])O CHEBI:82957 [0,1,0,0,0,1|0,0,1]=3 702 B7R0.9 CC(C)OP(=O)(O)O CHEBI:44052 [0,1,0,0,0,1|2,0,0]=4 703 B7R0.9 CC(CC(C)(C)O)O CHEBI:62995 [0,1,0,0,0,1|1,0,1]=4 704 B7R0.9 CC(CP(=O)(O)O)O CHEBI:1171 [0,1,0,0,0,1|1,0,0]=3 705 B7R0.9 C[C@@H](CC(C)(C)O)O CHEBI:44224 [0,1,0,0,0,1|1,0,1]=4 706 B7R0.9 C[C@@H](CP(=O)(O)O)O CHEBI:45410 [0,1,0,0,0,1|1,0,0]=3 707 B7R0.9 C[C@@H](CP(=O)(O)[O-])O CHEBI:62246 [0,1,0,0,0,1|1,0,0]=3 708 B7R0.9 C[N+](C)(C)CC(=O)O CHEBI:41139 [0,1,0,0,0,1|2,0,0]=4 709 B7R0.16 C(=O)(C(=O)O)C(=O)O CHEBI:30842 [0,1,0,0,0,1|1,0,1]=4 710 B7R0.16 C(C(=O)O)(C(=O)O)N CHEBI:17475 [0,1,0,0,0,1|1,0,1]=4 711 B7R0.16 C(C(=O)O)(C(=O)O)O CHEBI:16513 [0,1,0,0,0,1|1,0,1]=4 712 B7R0.16 CC(=C(C(=O)O)O)C CHEBI:132177 [0,1,0,0,0,1|1,0,1]=4 713 B7R0.16 CC(=O)C(C(=O)O)N CHEBI:17844 [0,1,0,0,0,1|0,0,2]=4 714 B7R0.16 CC(=O)[C@@H](C(=O)O)N CHEBI:40673 [0,1,0,0,0,1|0,0,2]=4 715 B7R0.16 CC(C(=O)C)C(=O)O CHEBI:37079 [0,1,0,0,0,1|0,0,2]=4 716 B7R0.16 CC(C(=O)O)C(=O)O CHEBI:30860 [0,1,0,0,0,1|1,0,1]=4 717 B7R0.16 CC(C(C(=O)O)N)O CHEBI:38263 [0,1,0,0,0,1|0,0,0]=2 718 B7R0.16 CC(C(C(=O)O)O)O CHEBI:86347 [0,1,0,0,0,1|0,0,0]=2 719 B7R0.16 CC(C(C)O)C(=O)O CHEBI:37051 [0,1,0,0,0,1|0,0,0]=2 720 B7R0.16 CC(C(C)O)C(=O)[O-] CHEBI:78554 [0,1,0,0,0,1|0,0,1]=3 721 B7R0.16 CC(C)C(=O)C(=O)O CHEBI:16530 [0,1,0,0,0,1|1,0,0]=3 722 B7R0.16 CC(C)C(=O)C(=O)[O-] CHEBI:11851 [0,1,0,0,0,1|1,0,1]=4 723 B7R0.16 CC(C)C(C(=O)O)N CHEBI:27266 [0,1,0,0,0,1|1,0,0]=3 724 B7R0.16 CC(C)C(C(=O)O)O CHEBI:60645 [0,1,0,0,0,1|1,0,0]=3 725 B7R0.16 CC(C)C(C(=O)O)[NH3+] CHEBI:32860 [0,1,0,0,0,1|1,0,0]=3 726 B7R0.16 CC(C)C(C(=O)[O-])N CHEBI:32859 [0,1,0,0,0,1|1,0,1]=4 727 B7R0.16 CC(C)C(C(=O)[O-])O CHEBI:64669 [0,1,0,0,0,1|1,0,1]=4 728 B7R0.16 CC(C)C(C)C(=O)O CHEBI:38650 [0,1,0,0,0,1|1,0,0]=3 729 B7R0.16 CC(C)[C@@H](C(=O)O)N CHEBI:16414 [0,1,0,0,0,1|1,0,0]=3 730 B7R0.16 CC(C)[C@@H](C(=O)O)O CHEBI:60631 [0,1,0,0,0,1|1,0,0]=3 731 B7R0.16 CC(C)[C@@H](C(=O)O)[NH3+] CHEBI:32852 [0,1,0,0,0,1|1,0,0]=3 732 B7R0.16 CC(C)[C@@H](C(=O)[O-])N CHEBI:32851 [0,1,0,0,0,1|1,0,1]=4 733 B7R0.16 CC(C)[C@@H](C(=O)[O-])O CHEBI:744019 [0,1,0,0,0,1|1,0,1]=4 734 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] CHEBI:57762 [0,1,0,0,0,1|1,0,1]=4 735 B7R0.16 CC(C)[C@H](C(=O)O)N CHEBI:27477 [0,1,0,0,0,1|1,0,0]=3 736 B7R0.16 CC(C)[C@H](C(=O)O)O CHEBI:46415 [0,1,0,0,0,1|1,0,0]=3 737 B7R0.16 CC(C)[C@H](C(=O)O)[NH3+] CHEBI:32856 [0,1,0,0,0,1|1,0,0]=3 738 B7R0.16 CC(C)[C@H](C(=O)[O-])N CHEBI:32855 [0,1,0,0,0,1|1,0,1]=4 739 B7R0.16 CC(C)[C@H](C(=O)[O-])[NH3+] CHEBI:74338 [0,1,0,0,0,1|1,0,1]=4 740 B7R0.16 C[C@@H](C(=O)O)N(C)C CHEBI:77042 [0,1,0,0,0,1|2,0,0]=4 741 B7R0.16 C[C@@H](C(C)C)C(=O)O CHEBI:38652 [0,1,0,0,0,1|1,0,0]=3 742 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O CHEBI:28718 [0,1,0,0,0,1|0,0,0]=2 743 B7R0.16 C[C@@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:58585 [0,1,0,0,0,1|0,0,1]=3 744 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O CHEBI:16398 [0,1,0,0,0,1|0,0,0]=2 745 B7R0.16 C[C@@H]([C@H](C(=O)O)[NH3+])O CHEBI:32828 [0,1,0,0,0,1|0,0,0]=2 746 B7R0.16 C[C@@H]([C@H](C(=O)[O-])N)O CHEBI:32827 [0,1,0,0,0,1|0,0,1]=3 747 B7R0.16 C[C@@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:57757 [0,1,0,0,0,1|0,0,1]=3 748 B7R0.16 C[C@@H]([C@H](C)O)C(=O)O CHEBI:37052 [0,1,0,0,0,1|0,0,0]=2 749 B7R0.16 C[C@@H]([C@H](C)O)C(=O)[O-] CHEBI:78559 [0,1,0,0,0,1|0,0,1]=3 750 B7R0.16 C[C@H](C(C)C)C(=O)O CHEBI:38651 [0,1,0,0,0,1|1,0,0]=3 751 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O CHEBI:16857 [0,1,0,0,0,1|0,0,0]=2 752 B7R0.16 C[C@H]([C@@H](C(=O)O)O)O CHEBI:86391 [0,1,0,0,0,1|0,0,0]=2 753 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH3+])O CHEBI:32822 [0,1,0,0,0,1|0,0,0]=2 754 B7R0.16 C[C@H]([C@@H](C(=O)[O-])N)O CHEBI:32820 [0,1,0,0,0,1|0,0,1]=3 755 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O CHEBI:57926 [0,1,0,0,0,1|0,0,1]=3 756 B7R0.16 C[C@H]([C@H](C(=O)N)O)O CHEBI:28598 [0,1,0,0,0,1|1,0,0]=3 757 B7R0.16 C[C@H]([C@H](C(=O)O)N)O CHEBI:32826 [0,1,0,0,0,1|0,0,0]=2 758 B7R0.16 C[C@H]([C@H](C(=O)[O-])[NH3+])O CHEBI:58645 [0,1,0,0,0,1|0,0,1]=3 759 B7R0.16 [13CH3][13CH]([13CH3])[13C@@H]([13C](=O)O)[15NH2] CHEBI:87977 [0,1,0,0,0,1|1,0,0]=3 760 B7R0.5 C(C#N)C(C(=O)O)N CHEBI:132546 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.5 C(C#N)[C@@H](C(=O)O)N CHEBI:16934 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.5 C(C#N)[C@@H](C(=O)[O-])N CHEBI:57954 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.5 C(C#N)[C@@H](C(=O)[O-])[NH3+] CHEBI:77860 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.5 C(C=O)[C@@H](C(=O)O)N CHEBI:18051 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.5 C(C=O)[C@@H](C(=O)[O-])N CHEBI:13086 [0,2,0,0,0,0|1,0,1]=4 766 B7R0.5 C(C=O)[C@@H](C(=O)[O-])[NH3+] CHEBI:537519 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.5 C(CN)C(C(=O)O)N CHEBI:64307 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.5 C(CN)[C@@H](C(=O)O)N CHEBI:48950 [0,2,0,0,0,0|1,0,0]=3 769 B7R0.5 C(CN)[C@@H](C(=O)[O-])N CHEBI:16028 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.5 C(CO)C(C(=O)O)N CHEBI:30653 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.5 C(CO)C(C(=O)O)O CHEBI:86348 [0,2,0,0,0,0|0,0,0]=2 772 B7R0.5 C(CO)C(C(=O)[O-])N CHEBI:62980 [0,2,0,0,0,0|1,0,1]=4 773 B7R0.5 C(CO)[C@@H](C(=O)O)N CHEBI:15699 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.5 C(CO)[C@@H](C(=O)[O-])[NH3+] CHEBI:57476 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.5 C(CO)[C@H](C(=O)O)N CHEBI:30654 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.5 C(CS)C(C(=O)O)N CHEBI:17230 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.5 C(CS)C(C(=O)[O-])N CHEBI:66952 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.5 C(CS)C(C(=O)[O-])[NH3+] CHEBI:58065 [0,2,0,0,0,0|1,0,1]=4 779 B7R0.5 C(CS)[C@@H](C(=O)O)N CHEBI:17588 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.5 C(CS)[C@@H](C(=O)[O-])N CHEBI:63072 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.5 C(CS)[C@@H](C(=O)[O-])[NH3+] CHEBI:58199 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.5 C(C[NH3+])[C@@H](C(=O)[O-])[NH3+] CHEBI:58761 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.5 C(C[SeH])[C@@H](C(=O)O)N CHEBI:9096 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.5 C(C[SeH])[C@@H](C(=O)[O-])[NH3+] CHEBI:84850 [0,2,0,0,0,0|1,0,1]=4 785 B7R0.5 C([C@@H](C(=O)O)N)S=O CHEBI:41630 [0,2,0,0,0,0|1,0,0]=3 786 B7R0.5 C([C@@H](C(=O)O)N)SO CHEBI:41710 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.5 C([C@@H](C(=O)O)N)SS CHEBI:28839 [0,2,0,0,0,0|1,0,0]=3 788 B7R0.5 C([C@@H](C(=O)[O-])[NH3+])SS CHEBI:58591 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.5 C=CCC(=O)C(=O)O CHEBI:37318 [0,2,0,0,0,0|0,0,2]=4 790 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [0,2,0,0,0,0|0,0,2]=4 791 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [0,2,0,0,0,0|0,0,2]=4 792 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [0,2,0,0,0,0|0,0,2]=4 793 B7R0.5 CCCC(=O)C(=O)O CHEBI:33033 [0,2,0,0,0,0|0,0,2]=4 794 B7R0.5 CCCC(C(=O)O)N CHEBI:19475 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.5 CCCC(C(=O)O)O CHEBI:60647 [0,2,0,0,0,0|0,0,0]=2 796 B7R0.5 CCCC(C(=O)[O-])O CHEBI:60630 [0,2,0,0,0,0|0,0,1]=3 797 B7R0.5 CCC[C@@H](C(=O)O)N CHEBI:18314 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.5 CCC[C@@H](C(=O)[O-])[NH3+] CHEBI:58441 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.5 CCC[C@H](C(=O)O)N CHEBI:28804 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.5 CCOC(=O)C(C)C CHEBI:87303 [0,2,0,0,0,0|1,0,0]=3 801 B7R0.5 CCOC(=O)C(C)O CHEBI:78321 [0,2,0,0,0,0|0,0,0]=2 802 B7R0.5 CCOC(=O)[C@@H](C)O CHEBI:78323 [0,2,0,0,0,0|0,0,0]=2 803 B7R0.5 CCOC(=O)[C@H](C)O CHEBI:78322 [0,2,0,0,0,0|0,0,0]=2 804 B7R0.5 CCOC(C)C(=O)C CHEBI:87526 [0,2,0,0,0,0|1,0,0]=3 805 B7R0.5 CNC[C@@H](C(=O)O)N CHEBI:73169 [0,2,0,0,0,0|1,0,0]=3 806 B7R0.5 COC[C@@H](C(=O)O)N CHEBI:74798 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.5 CSC[C@@H](C(=O)O)N CHEBI:45658 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.5 CSC[C@@H](C(=O)[O-])[NH3+] CHEBI:133545 [0,2,0,0,0,0|1,0,1]=4 809 B7R0.5 C[Se]CC(C(=O)O)N CHEBI:9068 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.5 C[Se]CC(C(=O)O)[NH3+] CHEBI:53132 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.5 C[Se]CC(C(=O)[O-])N CHEBI:53128 [0,2,0,0,0,0|1,0,1]=4 812 B7R0.5 C[Se]C[C@@H](C(=O)O)N CHEBI:27812 [0,2,0,0,0,0|1,0,0]=3 813 B7R0.5 C[Se]C[C@@H](C(=O)O)[NH3+] CHEBI:53130 [0,2,0,0,0,0|1,0,0]=3 814 B7R0.5 C[Se]C[C@@H](C(=O)[O-])N CHEBI:53126 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.5 C[Se]C[C@@H](C(=O)[O-])[NH3+] CHEBI:58531 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.5 C[Se]C[C@H](C(=O)O)N CHEBI:53125 [0,2,0,0,0,0|1,0,0]=3 817 B7R0.5 C[Se]C[C@H](C(=O)O)[NH3+] CHEBI:53131 [0,2,0,0,0,0|1,0,0]=3 818 B7R0.5 C[Se]C[C@H](C(=O)[O-])N CHEBI:53129 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.10 C(C(C(=O)CO)O)O CHEBI:23958 [0,2,0,0,0,0|0,0,0]=2 820 B7R0.10 C(C(C(=O)NO)N)O CHEBI:75494 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.10 C(C(C(C=N)O)O)O CHEBI:111520 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.10 C(C(C(CO)O)O)O CHEBI:48299 [0,2,0,0,0,0|0,0,2]=4 823 B7R0.10 C(C(C(CS)O)O)S CHEBI:18320 [0,2,0,0,0,0|0,1,1]=4 824 B7R0.10 C(C(C(CS)O)O)S CHEBI:25189 [0,2,0,0,0,0|0,1,1]=4 825 B7R0.10 C([C@@H](C(=O)C=O)O)O CHEBI:46669 [0,2,0,0,0,0|0,0,1]=3 826 B7R0.10 C([C@@H](C(=O)CO)O)O CHEBI:27913 [0,2,0,0,0,0|0,0,0]=2 827 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O CHEBI:21288 [0,2,0,0,0,0|0,0,1]=3 828 B7R0.10 C([C@@H]([C@H](C=O)O)O)O CHEBI:21405 [0,2,0,0,0,0|0,0,1]=3 829 B7R0.10 C([C@@H]([C@H](CO)O)O)O CHEBI:42090 [0,2,0,0,0,0|0,0,2]=4 830 B7R0.10 C([C@@H]([C@H](CS)O)O)S CHEBI:42106 [0,2,0,0,0,0|0,1,1]=4 831 B7R0.10 C([C@H](C(=O)CO)O)O CHEBI:16023 [0,2,0,0,0,0|0,0,0]=2 832 B7R0.10 C([C@H]([C@@H](C=O)O)O)O CHEBI:28587 [0,2,0,0,0,0|0,0,1]=3 833 B7R0.10 C([C@H]([C@@H](CO)O)O)O CHEBI:48300 [0,2,0,0,0,0|0,0,2]=4 834 B7R0.10 C([C@H]([C@@H](CS)O)O)S CHEBI:42170 [0,2,0,0,0,0|0,1,1]=4 835 B7R0.10 C([C@H]([C@H](C=O)O)O)O CHEBI:27904 [0,2,0,0,0,0|0,0,1]=3 836 B7R0.10 C([C@H]([C@H](CO)O)O)O CHEBI:17113 [0,2,0,0,0,0|0,0,2]=4 837 B7R0.10 C([C@H]([C@H](CS)O)O)S CHEBI:17456 [0,2,0,0,0,0|0,1,1]=4 838 B7R0.10 CC(\C(=N/O)\C)SC CHEBI:38469 [0,2,0,0,0,0|1,1,0]=4 839 B7R0.10 CCC(C(=O)CC)O CHEBI:18351 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.10 COC(=O)[C@H](CS)N CHEBI:41531 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.10 CSC(=O)[C@@H](CO)O CHEBI:17163 [0,2,0,0,0,0|0,1,0]=3 842 B7R0.10 C\C(=C\N)\C(=O)OO CHEBI:63250 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.10 [*]OC(=O)[C@H](CS)N CHEBI:61894 [0,2,0,0,0,0|1,0,0]=3 844 B7R0.13 CC(CO)(C(=O)O)N CHEBI:134206 [0,2,0,0,0,0|0,0,0]=2 845 B7R0.13 CC(CO)(C(=O)O)O CHEBI:36532 [0,2,0,0,0,0|0,0,0]=2 846 B7R0.13 CC(CO)(C(=O)[O-])O CHEBI:19315 [0,2,0,0,0,0|0,0,1]=3 847 B7R0.13 CC(CO)(C(=O)[O-])[NH3+] CHEBI:58275 [0,2,0,0,0,0|0,0,1]=3 848 B7R0.13 CCC(C(=O)O)(N)O CHEBI:74821 [0,2,0,0,0,0|0,0,0]=2 849 B7R0.13 CCC(C)(C(=O)O)O CHEBI:68454 [0,2,0,0,0,0|0,0,0]=2 850 B7R0.13 CCC(C)(C)C(=O)O CHEBI:38649 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.13 C[C@@](CO)(C(=O)O)N CHEBI:134205 [0,2,0,0,0,0|0,0,0]=2 852 B7R0.13 C[C@](CO)(C(=O)O)N CHEBI:74819 [0,2,0,0,0,0|0,0,0]=2 853 B7R0.14 C(C(O)P(=O)(O)O)N CHEBI:631 [0,2,0,0,0,0|1,0,0]=3 854 B7R0.14 C(C(O)P(=O)(O)[O-])[NH3+] CHEBI:78245 [0,2,0,0,0,0|1,0,0]=3 855 B7R0.15 C(C(CS)C(=O)O)S CHEBI:17919 [0,2,0,0,0,0|0,1,0]=3 856 B7R0.15 C(C(CS)C(=O)[O-])S CHEBI:58322 [0,2,0,0,0,0|0,1,1]=4 857 B7R0.15 CCC(CO)C(=O)O CHEBI:82956 [0,2,0,0,0,0|0,0,0]=2 858 B7R0.15 CCC(CO)C(=O)[O-] CHEBI:82955 [0,2,0,0,0,0|0,0,1]=3 859 B7R0.17 CC(C)(C(C)(C)O)O CHEBI:131185 [0,2,0,0,0,0|1,0,1]=4 860 B5R1.2 C1CNC1=O CHEBI:327119 [1,0,0,1,0,0|1,0,0]=3 861 B5R1.2 C1COC1=O CHEBI:49073 [1,0,0,1,0,0|0,0,0]=2 862 B5R1.3 C1C(O1)CBr CHEBI:18718 [1,0,0,1,0,0|1,0,1]=4 863 B5R1.3 C1C(O1)CCl CHEBI:37144 [1,0,0,1,0,0|1,0,1]=4 864 B5R1.3 C1C(O1)CO CHEBI:30966 [1,0,0,1,0,0|0,0,1]=3 865 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [1,0,0,1,0,0|1,0,1]=4 866 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [1,0,0,1,0,0|0,0,1]=3 867 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [1,0,0,1,0,0|1,0,1]=4 868 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [1,0,0,1,0,0|0,0,1]=3 869 B5R1.3 C=CC1CN1 CHEBI:51318 [1,0,0,1,0,0|2,0,0]=4 870 B7R1.2 CC1C=CC(=O)O1 CHEBI:36436 [0,0,0,1,0,1|2,0,0]=4 871 B7R1.2 CC1CCC(=C1)O CHEBI:111510 [0,0,0,1,0,1|2,0,0]=4 872 B7R1.2 CC1CCC(=O)O1 CHEBI:48569 [0,0,0,1,0,1|2,0,0]=4 873 B7R1.2 C[C@@H]1C=CC(=O)O1 CHEBI:36443 [0,0,0,1,0,1|2,0,0]=4 874 B7R1.2 C[C@@H]1CCC(=O)O1 CHEBI:48570 [0,0,0,1,0,1|2,0,0]=4 875 B7R1.2 C[C@H]1C=CC(=O)O1 CHEBI:36444 [0,0,0,1,0,1|2,0,0]=4 876 B7R1.2 C[C@H]1CCC(=O)O1 CHEBI:48571 [0,0,0,1,0,1|2,0,0]=4 877 B7R1.2 Cc1cc(no1)O CHEBI:5827 [0,0,0,1,0,1|1,0,1]=4 878 B7R1.4 C1C(C(=O)NO1)N CHEBI:23503 [0,1,0,1,0,0|1,0,0]=3 879 B7R1.4 C1C(C(=O)NS1)N CHEBI:64599 [0,1,0,1,0,0|1,1,0]=4 880 B7R1.4 C1COC(=O)C1N CHEBI:17289 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.4 C1COC(=O)C1[NH3+] CHEBI:58093 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.4 C1COC(=O)[C@@H]1N CHEBI:30657 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.4 C1COC(=O)[C@H]1N CHEBI:30655 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.4 C1COC(=O)[C@H]1[NH3+] CHEBI:58633 [0,1,0,1,0,0|1,0,0]=3 885 B7R1.4 C1CSC(=O)[C@H]1N CHEBI:60315 [0,1,0,1,0,0|1,1,0]=4 886 B7R1.4 C1[C@@H](C(=O)NO1)N CHEBI:75592 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.4 C1[C@H](C(=O)NO1)N CHEBI:40009 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.4 C1[C@H](C(=O)NO1)[NH3+] CHEBI:75929 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.4 C1[C@H](C(=O)[N-]O1)[NH3+] CHEBI:74159 [0,1,0,1,0,0|1,0,0]=3 890 B7R1.4 C=C1CCOC1=O CHEBI:104120 [0,1,0,1,0,0|1,0,1]=4 891 B7R1.4 CC1C(=O)CCS1 CHEBI:87506 [0,1,0,1,0,0|1,1,0]=4 892 B7R1.18 C1CNC1C(=O)O CHEBI:38108 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.18 C1CN[C@@H]1C(=O)O CHEBI:6198 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.18 C1CN[C@H]1C(=O)O CHEBI:38109 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.19 C1CC1(C(=O)O)N CHEBI:18053 [0,1,0,1,0,0|1,0,0]=3 896 B7R1.19 C1CC1(C(=O)[O-])N CHEBI:30526 [0,1,0,1,0,0|1,0,1]=4 897 B7R1.19 C1CC1(C(=O)[O-])[NH3+] CHEBI:58360 [0,1,0,1,0,0|1,0,1]=4 898 B7R1.22 COC(=O)C1CC1 CHEBI:131412 [0,1,0,1,0,0|1,0,0]=3 899 B7R2.1 C1C(O1)C2CO2 CHEBI:23704 [0,0,0,2,0,0|1,0,1]=4 900 B7R2.1 C1[C@@H](O1)[C@@H]2CO2 CHEBI:51046 [0,0,0,2,0,0|1,0,1]=4 901 B7R2.1 C1[C@@H](O1)[C@H]2CO2 CHEBI:51048 [0,0,0,2,0,0|1,0,1]=4 902 B7R2.1 C1[C@H](O1)[C@@H]2CO2 CHEBI:51047 [0,0,0,2,0,0|1,0,1]=4 903 B7R0.6 C(#CC(=O)O)C(=O)O CHEBI:30781 [0,0,0,0,0,2|1,0,1]=4 904 B7R0.6 C(=C/C(=O)O)/C(=O)O CHEBI:18300 [0,0,0,0,0,2|1,0,1]=4 905 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:18012 [0,0,0,0,0,2|1,0,1]=4 906 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:22958 [0,0,0,0,0,2|1,0,1]=4 907 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:91084 [0,0,0,0,0,2|1,0,1]=4 908 B7R0.6 C(C(=O)O)NC(=O)O CHEBI:87757 [0,0,0,0,0,2|1,0,1]=4 909 B7R0.6 C(CC(=O)O)C(=O)O CHEBI:15741 [0,0,0,0,0,2|1,0,1]=4 910 B7R0.6 C(CS(=O)O)C(=O)O CHEBI:79222 [0,0,0,0,0,2|2,0,0]=4 911 B7R0.6 C(\C=[N+](/O)\[O-])C(=O)O CHEBI:16775 [0,0,0,0,0,2|2,0,0]=4 912 B7R0.6 CC(=O)CCC(=O)O CHEBI:45630 [0,0,0,0,0,2|0,0,2]=4 913 B7R0.6 CC(=O)NCC(=O)O CHEBI:40410 [0,0,0,0,0,2|0,0,2]=4 914 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [0,0,0,0,0,2|0,0,2]=4 915 B7R0.6 CC(C)CCC(=O)O CHEBI:74903 [0,0,0,0,0,2|1,0,0]=3 916 B7R0.6 CC(C)CCC(=O)[O-] CHEBI:74904 [0,0,0,0,0,2|1,0,1]=4 917 B7R0.6 CC(C)COC(=O)C CHEBI:50569 [0,0,0,0,0,2|2,0,0]=4 918 B7R0.6 CC(C)OCC(=O)C CHEBI:87595 [0,0,0,0,0,2|2,0,0]=4 919 B7R0.6 CC(CCC(=O)C)O CHEBI:78816 [0,0,0,0,0,2|1,0,0]=3 920 B7R0.6 CC(CCC(C)O)O CHEBI:84894 [0,0,0,0,0,2|1,0,1]=4 921 B7R0.6 C[C@H](CCC(=O)C)O CHEBI:78817 [0,0,0,0,0,2|1,0,0]=3 922 B7R0.6 C[C@H](CCC(=O)O)O CHEBI:79019 [0,0,0,0,0,2|0,0,0]=2