0 B5R0.3 C(C(=O)C=O)O CHEBI:46660 [0,0,0,0,0,0|0,2,2]=4 1 B5R0.3 C(C(=O)CO)O CHEBI:16016 [0,0,0,0,0,0|0,2,1]=3 2 B5R0.3 C(C(=O)NO)N CHEBI:75426 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.3 C(C(C=O)O)O CHEBI:15693 [0,0,0,0,0,0|0,2,1]=3 4 B5R0.3 C(C(C=O)O)O CHEBI:5445 [0,0,0,0,0,0|0,2,1]=3 5 B5R0.3 C(C(CBr)Br)Br CHEBI:18859 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C(C(CBr)O)O CHEBI:18719 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.3 C(C(CCl)O)Cl CHEBI:18917 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.3 C(C(CCl)O)O CHEBI:18721 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.3 C(C(CO)O)O CHEBI:17522 [0,0,0,0,0,0|0,2,0]=2 10 B5R0.3 C(C(CO)O)O CHEBI:17754 [0,0,0,0,0,0|0,2,0]=2 11 B5R0.3 C(C(CS)O)O CHEBI:74537 [0,0,0,0,0,0|0,1,0]=1 12 B5R0.3 C(C(CS)S)O CHEBI:64198 [0,0,0,0,0,0|0,0,0]=0 13 B5R0.3 C([C@@H](C=O)O)O CHEBI:27975 [0,0,0,0,0,0|0,2,1]=3 14 B5R0.3 C([C@H](C=O)O)O CHEBI:17378 [0,0,0,0,0,0|0,2,1]=3 15 B5R0.3 C([C@H](CCl)O)O CHEBI:18663 [0,0,0,0,0,0|1,1,0]=2 16 B5R0.3 C([C@H](CS)O)O CHEBI:45619 [0,0,0,0,0,0|0,1,0]=1 17 B5R0.3 CCC(=O)CC CHEBI:87755 [0,0,0,0,0,0|2,1,1]=4 18 B5R0.3 CCC(C)C#N CHEBI:61669 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CCC(C)C=O CHEBI:16182 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 CCC(C)CO CHEBI:48945 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CCC(C)NC CHEBI:84267 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 CCC(CC)N CHEBI:84248 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.3 CCC(CC)O CHEBI:77519 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.3 CCC(CO)O CHEBI:52682 [0,0,0,0,0,0|1,1,0]=2 25 B5R0.3 CCC(C[SnH3])O CHEBI:22843 [0,0,0,0,0,0|2,1,0]=3 26 B5R0.3 CC[C@@H](C)CO CHEBI:50624 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.3 CC[C@@H](CO)O CHEBI:52686 [0,0,0,0,0,0|1,1,0]=2 28 B5R0.3 CC[C@H](C)CO CHEBI:50625 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 CC[C@H](CO)O CHEBI:52685 [0,0,0,0,0,0|1,1,0]=2 30 B5R0.3 CNC(=O)CS CHEBI:38731 [0,0,0,0,0,0|2,1,1]=4 31 B4R0.1 C(C(=O)N)O CHEBI:30321 [1,0,0,0,0,0|1,1,1]=4 32 B4R0.1 C(C(=O)O)Cl CHEBI:27869 [1,0,0,0,0,0|1,1,1]=4 33 B4R0.1 C(C(=O)O)F CHEBI:30775 [1,0,0,0,0,0|1,1,1]=4 34 B4R0.1 C(C(=O)O)I CHEBI:74571 [1,0,0,0,0,0|1,1,1]=4 35 B4R0.1 C(C(=O)O)N CHEBI:15428 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.1 C(C(=O)O)O CHEBI:17497 [1,0,0,0,0,0|0,2,1]=4 37 B4R0.1 C(C(=O)O)S CHEBI:30065 [1,0,0,0,0,0|0,1,1]=3 38 B4R0.1 C(C(=O)O)[NH3+] CHEBI:32507 [1,0,0,0,0,0|1,1,1]=4 39 B4R0.1 C(C(=O)S)N CHEBI:46799 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.1 C(C(=O)[O-])O CHEBI:132094 [1,0,0,0,0,0|0,2,1]=4 41 B4R0.1 C(C(=O)[O-])O CHEBI:29805 [1,0,0,0,0,0|0,2,1]=4 42 B4R0.1 C(C(=O)[O-])S CHEBI:30066 [1,0,0,0,0,0|0,1,2]=4 43 B4R0.1 C(C(=O)[O-])S CHEBI:86481 [1,0,0,0,0,0|0,1,2]=4 44 B4R0.1 C(C(Cl)Cl)Cl CHEBI:36018 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 C=C(CO)Br CHEBI:49514 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 CC(=NO)C CHEBI:15349 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(=O)CBr CHEBI:51845 [1,0,0,0,0,0|1,1,1]=4 48 B4R0.1 CC(=O)CCl CHEBI:47220 [1,0,0,0,0,0|1,1,1]=4 49 B4R0.1 CC(=O)CN CHEBI:17906 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.1 CC(=O)CO CHEBI:27957 [1,0,0,0,0,0|0,1,1]=3 51 B4R0.1 CC(=O)C[NH3+] CHEBI:58320 [1,0,0,0,0,0|1,1,1]=4 52 B4R0.1 CC(=O)NO CHEBI:27777 [1,0,0,0,0,0|1,1,1]=4 53 B4R0.1 CC(C#N)N CHEBI:27959 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CC(C)C#C CHEBI:87379 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CC(C)C=C CHEBI:77914 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CC(C)C=O CHEBI:48943 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 CC(C)CN CHEBI:15997 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CC(C)CO CHEBI:46645 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 CC(C)C[NH3+] CHEBI:57601 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 CC(C)OC CHEBI:53505 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 CC(C=O)O CHEBI:18419 [1,0,0,0,0,0|0,1,2]=4 62 B4R0.1 CC(CCl)O CHEBI:76260 [1,0,0,0,0,0|1,1,0]=3 63 B4R0.1 CC(CN)N CHEBI:30630 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(CN)O CHEBI:19030 [1,0,0,0,0,0|1,1,0]=3 65 B4R0.1 CC(CO)O CHEBI:16997 [1,0,0,0,0,0|0,1,0]=2 66 B4R0.1 CCC(=C)C CHEBI:77915 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CCC(=O)C CHEBI:28398 [1,0,0,0,0,0|1,1,1]=4 68 B4R0.1 CCC(=O)O CHEBI:30768 [1,0,0,0,0,0|1,1,1]=4 69 B4R0.1 CCC(=S)C CHEBI:36581 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.1 CCC(C)C CHEBI:30362 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CCC(C)N CHEBI:74526 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CCC(C)O CHEBI:35687 [1,0,0,0,0,0|1,1,0]=3 73 B4R0.1 CC[C@@H](C)O CHEBI:35686 [1,0,0,0,0,0|1,1,0]=3 74 B4R0.1 CC[C@H](C)O CHEBI:45475 [1,0,0,0,0,0|1,1,0]=3 75 B4R0.1 C[C@@H](C#N)N CHEBI:50617 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 C[C@@H](C=O)O CHEBI:18041 [1,0,0,0,0,0|0,1,2]=4 77 B4R0.1 C[C@@H](CO)N CHEBI:78502 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 C[C@@H](CO)O CHEBI:29002 [1,0,0,0,0,0|0,1,0]=2 79 B4R0.1 C[C@@H](CO)[NH3+] CHEBI:85422 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.1 C[C@H](C#N)N CHEBI:50618 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C[C@H](C=O)O CHEBI:17167 [1,0,0,0,0,0|0,1,2]=4 82 B4R0.1 C[C@H](CN)O CHEBI:15675 [1,0,0,0,0,0|1,1,0]=3 83 B4R0.1 C[C@H](CO)O CHEBI:28972 [1,0,0,0,0,0|0,1,0]=2 84 B4R0.1 C[C@H](C[NH3+])O CHEBI:42677 [1,0,0,0,0,0|1,1,0]=3 85 B4R0.1 C\C(=N/O)\O CHEBI:49029 [1,0,0,0,0,0|1,1,1]=4 86 B4R0.1 [*]C(=O)CO CHEBI:52501 [1,0,0,0,0,0|1,1,1]=4 87 B4R0.1 [*][C@H](CO)O CHEBI:27636 [1,0,0,0,0,0|1,1,0]=3 88 B4R0.2 C#CCCO CHEBI:27444 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.2 C(CN)C#N CHEBI:27413 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 C(CN)C=O CHEBI:18090 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.2 C(CN)C=O CHEBI:27390 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.2 C(CN)CN CHEBI:15725 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 C(CN)CN CHEBI:35411 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 C(CN)CS CHEBI:38933 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.2 C(CO)C=O CHEBI:17871 [1,0,0,0,0,0|0,1,1]=3 96 B4R0.2 C(CO)CO CHEBI:16109 [1,0,0,0,0,0|0,1,0]=2 97 B4R0.2 C(CO)NN CHEBI:50098 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.2 C(CS)CS CHEBI:44864 [1,0,0,0,0,0|0,1,0]=2 99 B4R0.2 C(C[NH3+])C#N CHEBI:91086 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 C(C[NH3+])C=O CHEBI:58374 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:57484 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.2 C(C[NH3+])C[NH3+] CHEBI:70977 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 C(NCS)S CHEBI:32670 [1,0,0,0,0,0|1,1,0]=3 104 B4R0.2 C(NC[S-])[S-] CHEBI:32671 [1,0,0,0,0,0|1,1,1]=4 105 B4R0.2 C(OCCl)Cl CHEBI:82270 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.2 C(\C=C/Cl)O CHEBI:28967 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.2 C(\C=C\Cl)O CHEBI:23120 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.2 C(\C=C\Cl)O CHEBI:28960 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.2 CCCC#N CHEBI:51937 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 CCCC=O CHEBI:15743 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 CCCCC CHEBI:37830 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.2 CCCCN CHEBI:43799 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.2 CCCCO CHEBI:28885 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.2 CCCC[SnH3] CHEBI:22966 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.2 CCCSO CHEBI:91018 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.2 CCNCC CHEBI:85259 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.2 CCOCC CHEBI:35702 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 CCSCC CHEBI:27710 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.2 CCSCS CHEBI:38829 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.2 CC[NH2+]CC CHEBI:132181 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.2 CC[Zn]CC CHEBI:51496 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.2 CNCCO CHEBI:21763 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.2 COCCO CHEBI:46790 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.2 CSCCO CHEBI:63861 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.2 C\C=C\CO CHEBI:62891 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.2 [*]CCC=O CHEBI:84587 [1,0,0,0,0,0|1,0,2]=4 127 B4R0.2 [Li]CCCC CHEBI:51469 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.1 C(CO)C(CO)O CHEBI:88063 [0,1,0,0,0,0|0,2,0]=3 129 B6R0.1 C=C(CCO)CO CHEBI:131368 [0,1,0,0,0,0|1,1,1]=4 130 B6R0.1 CCC(C)CCO CHEBI:87381 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.1 CCC(C)\C=N/O CHEBI:61136 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 CCC(C)\C=N\O CHEBI:61134 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.1 CCC(C)\C=N\O CHEBI:61135 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.1 CCS(=O)CCO CHEBI:38736 [0,1,0,0,0,0|2,1,0]=4 135 B6R0.1 COCC(=O)CO CHEBI:37551 [0,1,0,0,0,0|0,2,1]=4 136 B6R0.3 C(C(=O)C(=O)O)S CHEBI:16208 [0,1,0,0,0,0|0,1,2]=4 137 B6R0.3 C(C(C(=O)O)N)Cl CHEBI:88164 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.3 C(C(C(=O)O)N)N CHEBI:18383 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.3 C(C(C(=O)O)N)O CHEBI:17822 [0,1,0,0,0,0|1,1,1]=4 140 B6R0.3 C(C(C(=O)O)N)S CHEBI:15356 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 C(C(C(=O)O)N)[S] CHEBI:32740 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.3 C(C(C(=O)O)N)[SeH] CHEBI:9093 [0,1,0,0,0,0|1,1,1]=4 143 B6R0.3 C(C(C(=O)O)O)Cl CHEBI:77855 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.3 C(C(C(=O)O)O)O CHEBI:33508 [0,1,0,0,0,0|0,2,1]=4 145 B6R0.3 C(C(C(=O)O)[NH3+])O CHEBI:32846 [0,1,0,0,0,0|1,1,1]=4 146 B6R0.3 C(C(C(=O)O)[NH3+])S CHEBI:32458 [0,1,0,0,0,0|1,0,1]=3 147 B6R0.3 C(C(C(=O)O)[NH3+])[SeH] CHEBI:32754 [0,1,0,0,0,0|1,1,1]=4 148 B6R0.3 C(C(C(=O)[O-])N)O CHEBI:32845 [0,1,0,0,0,0|1,1,1]=4 149 B6R0.3 C(C(C(=O)[O-])N)S CHEBI:32456 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:33871 [0,1,0,0,0,0|0,2,1]=4 151 B6R0.3 C(C(C(=O)[O-])O)O CHEBI:71671 [0,1,0,0,0,0|0,2,1]=4 152 B6R0.3 C(C(C(=O)[O-])[NH3+])O CHEBI:35243 [0,1,0,0,0,0|1,1,1]=4 153 B6R0.3 C(C(C(=O)[O-])[NH3+])S CHEBI:35237 [0,1,0,0,0,0|1,0,2]=4 154 B6R0.3 C([C@@H](C(=O)O)N)Cl CHEBI:17403 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.3 C([C@@H](C(=O)O)N)N CHEBI:16303 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 C([C@@H](C(=O)O)N)O CHEBI:17115 [0,1,0,0,0,0|1,1,1]=4 157 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:17561 [0,1,0,0,0,0|1,0,1]=3 158 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91247 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.3 C([C@@H](C(=O)O)N)S CHEBI:91248 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.3 C([C@@H](C(=O)O)N)[S] CHEBI:32736 [0,1,0,0,0,0|1,0,2]=4 161 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CHEBI:16633 [0,1,0,0,0,0|1,1,1]=4 162 B6R0.3 C([C@@H](C(=O)O)O)O CHEBI:74324 [0,1,0,0,0,0|0,2,1]=4 163 B6R0.3 C([C@@H](C(=O)O)O)S CHEBI:28580 [0,1,0,0,0,0|0,1,1]=3 164 B6R0.3 C([C@@H](C(=O)O)[NH3+])O CHEBI:32837 [0,1,0,0,0,0|1,1,1]=4 165 B6R0.3 C([C@@H](C(=O)O)[NH3+])S CHEBI:32445 [0,1,0,0,0,0|1,0,1]=3 166 B6R0.3 C([C@@H](C(=O)O)[NH3+])[SeH] CHEBI:32744 [0,1,0,0,0,0|1,1,1]=4 167 B6R0.3 C([C@@H](C(=O)[O-])N)O CHEBI:32836 [0,1,0,0,0,0|1,1,1]=4 168 B6R0.3 C([C@@H](C(=O)[O-])N)S CHEBI:32442 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O CHEBI:33384 [0,1,0,0,0,0|1,1,1]=4 170 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CHEBI:35235 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.3 C([C@H](C(=O)O)N)Cl CHEBI:17092 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.3 C([C@H](C(=O)O)N)O CHEBI:16523 [0,1,0,0,0,0|1,1,1]=4 173 B6R0.3 C([C@H](C(=O)O)N)S CHEBI:16375 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.3 C([C@H](C(=O)O)N)[S] CHEBI:32738 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.3 C([C@H](C(=O)O)N)[SeH] CHEBI:30001 [0,1,0,0,0,0|1,1,1]=4 176 B6R0.3 C([C@H](C(=O)O)O)F CHEBI:55532 [0,1,0,0,0,0|1,1,1]=4 177 B6R0.3 C([C@H](C(=O)O)O)O CHEBI:32398 [0,1,0,0,0,0|0,2,1]=4 178 B6R0.3 C([C@H](C(=O)O)[NH3+])O CHEBI:32841 [0,1,0,0,0,0|1,1,1]=4 179 B6R0.3 C([C@H](C(=O)O)[NH3+])S CHEBI:32451 [0,1,0,0,0,0|1,0,1]=3 180 B6R0.3 C([C@H](C(=O)O)[NH3+])[SeH] CHEBI:32751 [0,1,0,0,0,0|1,1,1]=4 181 B6R0.3 C([C@H](C(=O)[O-])N)O CHEBI:32840 [0,1,0,0,0,0|1,1,1]=4 182 B6R0.3 C([C@H](C(=O)[O-])N)S CHEBI:32449 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.3 C([C@H](C(=O)[O-])O)O CHEBI:16659 [0,1,0,0,0,0|0,2,1]=4 184 B6R0.3 C([C@H](C(=O)[O-])[NH3+])O CHEBI:35247 [0,1,0,0,0,0|1,1,1]=4 185 B6R0.3 C([C@H](C(=O)[O-])[NH3+])S CHEBI:35236 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.3 CC(C(CO)O)O CHEBI:131388 [0,1,0,0,0,0|0,2,0]=3 187 B6R0.3 CC(C)C(CO)O CHEBI:65058 [0,1,0,0,0,0|1,1,0]=3 188 B6R0.3 CC(CN)C(=O)O CHEBI:27389 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.3 CC(CO)C(=O)O CHEBI:18064 [0,1,0,0,0,0|1,1,1]=4 190 B6R0.3 CC(CO)C(=O)[O-] CHEBI:11805 [0,1,0,0,0,0|1,1,1]=4 191 B6R0.3 CCC(C(=O)O)N CHEBI:35621 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.3 CCC(C(=O)O)O CHEBI:1148 [0,1,0,0,0,0|1,1,1]=4 193 B6R0.3 CCC(C)C(=O)O CHEBI:37070 [0,1,0,0,0,0|2,0,1]=4 194 B6R0.3 CCC(C)C(C)O CHEBI:77520 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.3 CC[C@@H](C(=O)O)N CHEBI:35619 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 CC[C@@H](C(=O)O)O CHEBI:50613 [0,1,0,0,0,0|1,1,1]=4 197 B6R0.3 CC[C@@H](C)C(=O)O CHEBI:45525 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 CC[C@H](C(=O)O)N CHEBI:28797 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 CC[C@H](C(=O)O)O CHEBI:50612 [0,1,0,0,0,0|1,1,1]=4 200 B6R0.3 CC[C@H](C)C(=O)O CHEBI:38655 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.3 C[C@@H](CN)C(=O)O CHEBI:33094 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.3 C[C@@H](CO)C(=O)O CHEBI:37373 [0,1,0,0,0,0|1,1,1]=4 203 B6R0.3 C[C@@H](CO)C(=O)[O-] CHEBI:62638 [0,1,0,0,0,0|1,1,1]=4 204 B6R0.3 C[C@H](CN)C(=O)O CHEBI:16320 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.8 CC(CO)(CO)N CHEBI:991 [0,1,0,0,0,0|1,1,0]=3 206 B6R0.8 CCC(C)(CO)O CHEBI:131357 [0,1,0,0,0,0|1,1,0]=3 207 B6R1.2 C1CCC(C1)O CHEBI:16133 [0,0,0,1,0,0|2,1,0]=4 208 B6R1.2 CC1COC=C1 CHEBI:51679 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.2 C[C@@H]1COC=C1 CHEBI:51680 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.7 C[C@]1(CO1)C=C CHEBI:131720 [0,0,0,1,0,0|2,0,1]=4 211 B3R0.1 C#CCO CHEBI:28905 [2,0,0,0,0,0|0,0,2]=4 212 B3R0.1 C(C=O)O CHEBI:17071 [2,0,0,0,0,0|0,1,1]=4 213 B3R0.1 C(CBr)Br CHEBI:28534 [2,0,0,0,0,0|2,0,0]=4 214 B3R0.1 C(CBr)Cl CHEBI:19032 [2,0,0,0,0,0|2,0,0]=4 215 B3R0.1 C(CCl)Cl CHEBI:27789 [2,0,0,0,0,0|2,0,0]=4 216 B3R0.1 C(CCl)O CHEBI:28200 [2,0,0,0,0,0|1,0,0]=3 217 B3R0.1 C(CN)N CHEBI:30346 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.1 C(CN)N CHEBI:30347 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.1 C(CN)N CHEBI:53626 [2,0,0,0,0,0|2,0,0]=4 220 B3R0.1 C(CO)N CHEBI:16000 [2,0,0,0,0,0|1,0,0]=3 221 B3R0.1 C(CO)O CHEBI:30742 [2,0,0,0,0,0|0,1,0]=3 222 B3R0.1 C(CO)[NH3+] CHEBI:57603 [2,0,0,0,0,0|1,0,0]=3 223 B3R0.1 C(CO)[NH3+] CHEBI:63878 [2,0,0,0,0,0|1,0,0]=3 224 B3R0.1 C(CS)N CHEBI:17141 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.1 C(CS)O CHEBI:41218 [2,0,0,0,0,0|0,0,0]=2 226 B3R0.1 C(CS)[NH3+] CHEBI:58029 [2,0,0,0,0,0|1,0,0]=3 227 B3R0.1 C=CCO CHEBI:16605 [2,0,0,0,0,0|0,0,2]=4 228 B3R0.1 CCC#C CHEBI:48087 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.1 CCC#N CHEBI:26307 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.1 CCC=C CHEBI:48362 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.1 CCC=O CHEBI:17153 [2,0,0,0,0,0|0,0,2]=4 232 B3R0.1 CCCBr CHEBI:47105 [2,0,0,0,0,0|1,0,0]=3 233 B3R0.1 CCCC CHEBI:37808 [2,0,0,0,0,0|1,0,0]=3 234 B3R0.1 CCCN CHEBI:39870 [2,0,0,0,0,0|1,0,0]=3 235 B3R0.1 CCCO CHEBI:28831 [2,0,0,0,0,0|0,0,0]=2 236 B3R0.1 CCCP CHEBI:35891 [2,0,0,0,0,0|1,0,0]=3 237 B3R0.1 CCCS CHEBI:8473 [2,0,0,0,0,0|0,0,0]=2 238 B3R0.1 CCC[NH3+] CHEBI:566825 [2,0,0,0,0,0|1,0,0]=3 239 B3R0.1 CCN=O CHEBI:50722 [2,0,0,0,0,0|1,0,1]=4 240 B3R0.1 CCOC CHEBI:39832 [2,0,0,0,0,0|2,0,0]=4 241 B3R0.1 CC[Mg]Cl CHEBI:51239 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.1 COCO CHEBI:46791 [2,0,0,0,0,0|1,0,0]=3 243 B3R0.1 C\C=C\S CHEBI:59723 [2,0,0,0,0,0|0,0,2]=4 244 B3R0.1 C\C=N/O CHEBI:50719 [2,0,0,0,0,0|1,0,1]=4 245 B3R0.1 C\C=N\O CHEBI:28465 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.1 C\C=N\O CHEBI:50718 [2,0,0,0,0,0|1,0,1]=4 247 B3R0.1 SSSS CHEBI:50364 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.2 B(C)(C)O CHEBI:38276 [2,0,0,0,0,0|1,1,0]=4 249 B3R0.2 C(=O)(O)S CHEBI:36959 [2,0,0,0,0,0|0,1,1]=4 250 B3R0.2 C(=O)(S)S CHEBI:36966 [2,0,0,0,0,0|0,0,2]=4 251 B3R0.2 C(=S)(O)S CHEBI:36965 [2,0,0,0,0,0|0,0,2]=4 252 B3R0.2 C(=S)(S)S CHEBI:36967 [2,0,0,0,0,0|0,1,1]=4 253 B3R0.2 CC(=C)C CHEBI:43907 [2,0,0,0,0,0|1,0,1]=4 254 B3R0.2 CC(=N)O CHEBI:49028 [2,0,0,0,0,0|1,0,1]=4 255 B3R0.2 CC(=O)C CHEBI:15347 [2,0,0,0,0,0|0,1,1]=4 256 B3R0.2 CC(=O)O CHEBI:132481 [2,0,0,0,0,0|0,1,1]=4 257 B3R0.2 CC(=O)O CHEBI:15366 [2,0,0,0,0,0|0,1,1]=4 258 B3R0.2 CC(=O)S CHEBI:16555 [2,0,0,0,0,0|0,0,2]=4 259 B3R0.2 CC(=S)C CHEBI:36580 [2,0,0,0,0,0|0,0,2]=4 260 B3R0.2 CC(=S)O CHEBI:46800 [2,0,0,0,0,0|0,0,2]=4 261 B3R0.2 CC(C)C CHEBI:30363 [2,0,0,0,0,0|1,0,0]=3 262 B3R0.2 CC(C)N CHEBI:15739 [2,0,0,0,0,0|1,0,0]=3 263 B3R0.2 CC(C)O CHEBI:17824 [2,0,0,0,0,0|0,1,0]=3 264 B3R0.2 CC(C)S CHEBI:8474 [2,0,0,0,0,0|0,0,0]=2 265 B3R0.2 CC(C)[NH3+] CHEBI:57492 [2,0,0,0,0,0|1,0,0]=3 266 B3R0.2 CN(C)C CHEBI:18139 [2,0,0,0,0,0|2,0,0]=4 267 B3R0.2 CN(C)C CHEBI:64700 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.2 CN(C)N CHEBI:18853 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.2 CP(C)C CHEBI:35890 [2,0,0,0,0,0|2,0,0]=4 270 B3R0.2 CS(=O)C CHEBI:28262 [2,0,0,0,0,0|1,1,0]=4 271 B3R0.2 CS(=O)O CHEBI:133897 [2,0,0,0,0,0|1,1,0]=4 272 B3R0.2 C[As](C)C CHEBI:27130 [2,0,0,0,0,0|2,0,0]=4 273 B3R0.2 C[As](C)O CHEBI:23808 [2,0,0,0,0,0|1,1,0]=4 274 B3R0.2 C[As](O)O CHEBI:17826 [2,0,0,0,0,0|1,1,0]=4 275 B3R0.2 C[NH+](C)C CHEBI:58389 [2,0,0,0,0,0|2,0,0]=4 276 B3R0.2 C[S+](C)C CHEBI:17434 [2,0,0,0,0,0|2,0,0]=4 277 B3R0.2 C[Se+](C)C CHEBI:77058 [2,0,0,0,0,0|2,0,0]=4 278 B3R0.2 C[Se](=O)O CHEBI:77012 [2,0,0,0,0,0|1,1,0]=4 279 B3R0.2 C[SnH](C)C CHEBI:63948 [2,0,0,0,0,0|2,0,0]=4 280 B3R0.2 OS(=O)S CHEBI:35926 [2,0,0,0,0,0|1,1,0]=4 281 B3R0.2 [*]C(O)O CHEBI:63733 [2,0,0,0,0,0|1,1,0]=4 282 B5R0.1 C(CS)C(=O)O CHEBI:44111 [1,1,0,0,0,0|0,1,1]=4 283 B5R0.1 CC(=C)CCO CHEBI:62898 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.1 CC(=CCO)C CHEBI:16019 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.1 CC(=O)CCO CHEBI:41268 [1,1,0,0,0,0|0,1,1]=4 286 B5R0.1 CC(C)CC=O CHEBI:16638 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.1 CC(C)CCN CHEBI:43689 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.1 CC(C)CCO CHEBI:15837 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.1 CC(C)CNO CHEBI:131928 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.1 CC(C)\C=C\O CHEBI:77922 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.1 CC(C)\C=N/O CHEBI:61144 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.1 CC(C)\C=N\O CHEBI:17502 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.1 CC(C)\C=N\O CHEBI:61143 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.1 CC(CCO)O CHEBI:52683 [1,1,0,0,0,0|0,1,0]=3 295 B5R0.1 CCCC(C)O CHEBI:77518 [1,1,0,0,0,0|1,1,0]=4 296 B5R0.1 CN(C)CCO CHEBI:271436 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.1 CSCC(=O)O CHEBI:47870 [1,1,0,0,0,0|0,1,1]=4 298 B5R0.1 C[C@@H](CCO)O CHEBI:52688 [1,1,0,0,0,0|0,1,0]=3 299 B5R0.1 C[C@H](CCO)O CHEBI:52687 [1,1,0,0,0,0|0,1,0]=3 300 B5R0.1 C[S+](C)CCO CHEBI:63035 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.1 C\[N+](=N\CO)\[O-] CHEBI:29323 [1,1,0,0,0,0|1,1,0]=4 302 B5R0.4 C(C(Cl)(Cl)Cl)O CHEBI:28094 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.4 C(C(F)(F)F)O CHEBI:42330 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.4 CC(C)(C)OO CHEBI:64090 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.4 CC(C)(CO)O CHEBI:131845 [1,1,0,0,0,0|0,1,0]=3 306 B5R0.4 CCC(C)(C)N CHEBI:84236 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.4 CCC(C)(C)O CHEBI:132750 [1,1,0,0,0,0|1,1,0]=4 308 B5R0.4 C[Si](CO)(O)O CHEBI:24720 [1,1,0,0,0,0|0,2,0]=4 309 B5R0.5 CC(C(=O)C)O CHEBI:15688 [1,1,0,0,0,0|0,1,1]=4 310 B5R0.5 CC(C(=O)O)N CHEBI:16449 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.5 CC(C(=O)O)O CHEBI:78320 [1,1,0,0,0,0|0,1,1]=4 312 B5R0.5 CC(C(=O)O)S CHEBI:47872 [1,1,0,0,0,0|0,0,1]=3 313 B5R0.5 CC(C(=O)O)[NH3+] CHEBI:32440 [1,1,0,0,0,0|1,0,1]=4 314 B5R0.5 CC(C(C)O)O CHEBI:62064 [1,1,0,0,0,0|0,1,0]=3 315 B5R0.5 CC(C)C(=O)O CHEBI:16135 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.5 CC(C)C(C)O CHEBI:77517 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.5 C[C@@H](C(=O)C)O CHEBI:15687 [1,1,0,0,0,0|0,1,1]=4 318 B5R0.5 C[C@@H](C(=O)O)Cl CHEBI:73956 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.5 C[C@@H](C(=O)O)N CHEBI:16977 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.5 C[C@@H](C(=O)O)O CHEBI:422 [1,1,0,0,0,0|0,1,1]=4 321 B5R0.5 C[C@@H](C(=O)O)S CHEBI:47873 [1,1,0,0,0,0|0,0,1]=3 322 B5R0.5 C[C@@H](C(=O)O)[NH3+] CHEBI:32432 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.5 C[C@@H]([C@H](C)O)O CHEBI:16812 [1,1,0,0,0,0|0,1,0]=3 324 B5R0.5 C[C@H](C(=O)C)O CHEBI:15686 [1,1,0,0,0,0|0,1,1]=4 325 B5R0.5 C[C@H](C(=O)O)N CHEBI:15570 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.5 C[C@H](C(=O)O)O CHEBI:42111 [1,1,0,0,0,0|0,1,1]=4 327 B5R0.5 C[C@H](C(=O)O)S CHEBI:47874 [1,1,0,0,0,0|0,0,1]=3 328 B5R0.5 C[C@H](C(=O)O)[NH3+] CHEBI:32436 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.5 C[C@H]([C@@H](C)O)O CHEBI:16982 [1,1,0,0,0,0|0,1,0]=3 330 B5R0.5 C[C@H]([C@H](C)O)O CHEBI:75460 [1,1,0,0,0,0|0,1,0]=3 331 B5R0.5 [*]C(C)C(=O)O CHEBI:16333 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 C(C#CCO)O CHEBI:16413 [1,1,0,0,0,0|0,1,1]=4 333 B5R0.2 C(CC=O)CN CHEBI:17769 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 C(CC=O)C[NH3+] CHEBI:58264 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.2 C(CCCl)CO CHEBI:87310 [1,1,0,0,0,0|1,0,0]=3 336 B5R0.2 C(CCN)CN CHEBI:17148 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.2 C(CCO)CO CHEBI:41189 [1,1,0,0,0,0|0,1,0]=3 338 B5R0.2 C(CC[NH3+])C[NH3+] CHEBI:326268 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.2 CCCCC=C CHEBI:24579 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.2 CCCCC=O CHEBI:84069 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.2 CCCCCC CHEBI:29021 [1,1,0,0,0,0|2,0,0]=4 342 B5R0.2 CCCCCN CHEBI:74848 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.2 CCCCCO CHEBI:44884 [1,1,0,0,0,0|1,0,0]=3 344 B5R0.2 CCCCNC CHEBI:59019 [1,1,0,0,0,0|2,0,0]=4 345 B5R0.2 CCC\C=N\O CHEBI:59012 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.2 CCOCCO CHEBI:46788 [1,1,0,0,0,0|1,0,0]=3 347 B5R0.2 CCSCCS CHEBI:38625 [1,1,0,0,0,0|1,0,0]=3 348 B5R0.2 COCCOC CHEBI:42263 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.2 CSCCC=O CHEBI:49017 [1,1,0,0,0,0|0,0,2]=4 350 B5R0.2 CSCCCN CHEBI:16696 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.2 CSCCCO CHEBI:49019 [1,1,0,0,0,0|0,0,0]=2 352 B5R0.2 CSCCC[NH3+] CHEBI:57866 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.2 CSC\C=N\O CHEBI:50716 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.2 C(C(CN)O)C(=O)O CHEBI:16080 [0,2,0,0,0,0|1,1,0]=4 355 B7R0.2 C(C(CO)O)C(=O)O CHEBI:86371 [0,2,0,0,0,0|0,2,0]=4 356 B7R0.2 C([C@H](CO)N)C(=O)O CHEBI:41011 [0,2,0,0,0,0|1,1,0]=4 357 B7R0.5 C(CS)C(C(=O)O)N CHEBI:17230 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.5 C(CS)[C@@H](C(=O)O)N CHEBI:17588 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.5 C([C@@H](C(=O)O)N)SO CHEBI:41710 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.5 C([C@@H](C(=O)O)N)SS CHEBI:28839 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.5 CSC[C@@H](C(=O)O)N CHEBI:45658 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.7 C(CO)C(CCO)O CHEBI:131187 [0,2,0,0,0,0|0,2,0]=4 363 B7R0.7 CCCC(CCO)S CHEBI:77690 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.10 C(C(C(=O)CO)O)O CHEBI:23958 [0,2,0,0,0,0|0,2,0]=4 365 B7R0.10 C(C(C(C=N)O)O)O CHEBI:111520 [0,2,0,0,0,0|0,2,0]=4 366 B7R0.10 C(C(C(CO)O)O)O CHEBI:48299 [0,2,0,0,0,0|0,2,0]=4 367 B7R0.10 C(C(C(CS)O)O)S CHEBI:18320 [0,2,0,0,0,0|0,1,0]=3 368 B7R0.10 C(C(C(CS)O)O)S CHEBI:25189 [0,2,0,0,0,0|0,1,0]=3 369 B7R0.10 C([C@@H](C(=O)CO)O)O CHEBI:27913 [0,2,0,0,0,0|0,2,0]=4 370 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O CHEBI:21288 [0,2,0,0,0,0|0,2,0]=4 371 B7R0.10 C([C@@H]([C@H](C=O)O)O)O CHEBI:21405 [0,2,0,0,0,0|0,2,0]=4 372 B7R0.10 C([C@@H]([C@H](CO)O)O)O CHEBI:42090 [0,2,0,0,0,0|0,2,0]=4 373 B7R0.10 C([C@@H]([C@H](CS)O)O)S CHEBI:42106 [0,2,0,0,0,0|0,1,0]=3 374 B7R0.10 C([C@H](C(=O)CO)O)O CHEBI:16023 [0,2,0,0,0,0|0,2,0]=4 375 B7R0.10 C([C@H]([C@@H](C=O)O)O)O CHEBI:28587 [0,2,0,0,0,0|0,2,0]=4 376 B7R0.10 C([C@H]([C@@H](CO)O)O)O CHEBI:48300 [0,2,0,0,0,0|0,2,0]=4 377 B7R0.10 C([C@H]([C@@H](CS)O)O)S CHEBI:42170 [0,2,0,0,0,0|0,1,0]=3 378 B7R0.10 C([C@H]([C@H](C=O)O)O)O CHEBI:27904 [0,2,0,0,0,0|0,2,0]=4 379 B7R0.10 C([C@H]([C@H](CO)O)O)O CHEBI:17113 [0,2,0,0,0,0|0,2,0]=4 380 B7R0.10 C([C@H]([C@H](CS)O)O)S CHEBI:17456 [0,2,0,0,0,0|0,1,0]=3 381 B7R0.10 COC(=O)[C@H](CS)N CHEBI:41531 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.10 CSC(=O)[C@@H](CO)O CHEBI:17163 [0,2,0,0,0,0|0,1,1]=4 383 B7R0.10 [*]OC(=O)[C@H](CS)N CHEBI:61894 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.15 C(C(CS)C(=O)O)S CHEBI:17919 [0,2,0,0,0,0|0,0,1]=3 385 B7R0.15 C(C(CS)C(=O)[O-])S CHEBI:58322 [0,2,0,0,0,0|0,0,2]=4 386 B7R0.15 CCC(CO)C(=O)O CHEBI:82956 [0,2,0,0,0,0|1,1,0]=4 387 B7R0.15 CCC(CO)C(=O)[O-] CHEBI:82955 [0,2,0,0,0,0|1,1,0]=4 388 B7R0.18 C(C(CO)(CO)N)O CHEBI:66869 [0,2,0,0,0,0|0,2,0]=4 389 B7R0.18 C(C(CO)(CO)N)O CHEBI:67098 [0,2,0,0,0,0|0,2,0]=4 390 B7R0.18 C(C(CO)(CO)N)O CHEBI:67100 [0,2,0,0,0,0|0,2,0]=4 391 B7R0.18 C(C(CO)(CO)N)O CHEBI:9754 [0,2,0,0,0,0|0,2,0]=4 392 B7R0.18 C(C(CO)(CO)[NH3+])O CHEBI:46097 [0,2,0,0,0,0|0,2,0]=4 393 B5R1.3 C1C(O1)CBr CHEBI:18718 [1,0,0,1,0,0|1,1,0]=4 394 B5R1.3 C1C(O1)CCl CHEBI:37144 [1,0,0,1,0,0|1,1,0]=4 395 B5R1.3 C1C(O1)CO CHEBI:30966 [1,0,0,1,0,0|0,1,0]=3 396 B5R1.3 C1[C@@H](O1)CCl CHEBI:18662 [1,0,0,1,0,0|1,1,0]=4 397 B5R1.3 C1[C@@H](O1)CO CHEBI:38690 [1,0,0,1,0,0|0,1,0]=3 398 B5R1.3 C1[C@H](O1)CCl CHEBI:37145 [1,0,0,1,0,0|1,1,0]=4 399 B5R1.3 C1[C@H](O1)CO CHEBI:18664 [1,0,0,1,0,0|0,1,0]=3 400 B5R1.1 C1CC=CC1 CHEBI:49155 [1,0,0,1,0,0|2,0,0]=4 401 B5R1.1 C1CC=NC1 CHEBI:19092 [1,0,0,1,0,0|2,0,0]=4 402 B5R1.1 C1CC=[NH+]C1 CHEBI:36781 [1,0,0,1,0,0|2,0,0]=4 403 B5R1.1 C1CCCC1 CHEBI:23492 [1,0,0,1,0,0|2,0,0]=4 404 B5R1.1 C1CCNC1 CHEBI:33135 [1,0,0,1,0,0|2,0,0]=4 405 B5R1.1 C1CCOC1 CHEBI:26911 [1,0,0,1,0,0|1,0,0]=3 406 B5R1.1 C1CCPC1 CHEBI:33133 [1,0,0,1,0,0|2,0,0]=4 407 B5R1.1 C1CCSC1 CHEBI:48458 [1,0,0,1,0,0|1,0,0]=3 408 B5R1.1 C1CC[AsH]C1 CHEBI:33132 [1,0,0,1,0,0|2,0,0]=4 409 B5R1.1 C1CC[NH2+]C1 CHEBI:52145 [1,0,0,1,0,0|2,0,0]=4 410 B5R1.1 C1CNNC1 CHEBI:33138 [1,0,0,1,0,0|2,0,0]=4 411 B5R1.1 C1CNOC1 CHEBI:50311 [1,0,0,1,0,0|1,0,0]=3 412 B5R1.1 C1CNSC1 CHEBI:50121 [1,0,0,1,0,0|1,0,0]=3 413 B5R1.1 C1COC=C1 CHEBI:51662 [1,0,0,1,0,0|1,0,1]=4 414 B5R1.1 C1COCN1 CHEBI:50310 [1,0,0,1,0,0|2,0,0]=4 415 B5R1.1 C1COCO1 CHEBI:87597 [1,0,0,1,0,0|2,0,0]=4 416 B5R1.1 C1CSCN1 CHEBI:50120 [1,0,0,1,0,0|2,0,0]=4 417 B5R1.1 C1CSCS1 CHEBI:38079 [1,0,0,1,0,0|2,0,0]=4 418 B5R1.1 C1CSSC1 CHEBI:38226 [1,0,0,1,0,0|0,1,0]=3 419 B7R1.1 C1CC(NC1)CO CHEBI:59652 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.1 C1C[C@@H](NC1)CO CHEBI:84258 [0,1,0,1,0,0|2,0,0]=4